Program PWSCF v.5.1.1 starts on 21Jul2015 at 4: 0: 5 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SnS.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D 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 35 27 8 931 619 98 Max 36 28 9 934 637 104 Sum 1693 1307 387 44751 30177 4885 bravais-lattice index = 14 lattice parameter (alat) = 11.5334 a.u. unit-cell volume = 671.1377 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 250.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.533380 celldm(2)= 1.000000 celldm(3)= 0.684395 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.769043 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.769043 0.639198 0.000000 ) a(3) = ( 0.000000 0.000000 0.684395 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.203137 -0.000000 ) b(2) = ( 0.000000 1.564461 -0.000000 ) b(3) = ( 0.000000 0.000000 1.461145 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sn read from file: /home/autes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Sn 14.00 118.71000 Sn( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3421974 ) isym = 3 inversion 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 [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3421974 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 402 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 2) = ( 0.0065730 0.0181914 -0.0000000), wk = 0.0024876 k( 3) = ( 0.0131460 0.0363828 -0.0000000), wk = 0.0024876 k( 4) = ( 0.0197190 0.0545742 -0.0000000), wk = 0.0024876 k( 5) = ( 0.0262920 0.0727657 -0.0000000), wk = 0.0024876 k( 6) = ( 0.0328650 0.0909571 -0.0000000), wk = 0.0024876 k( 7) = ( 0.0394380 0.1091485 -0.0000000), wk = 0.0024876 k( 8) = ( 0.0460110 0.1273399 -0.0000000), wk = 0.0024876 k( 9) = ( 0.0525840 0.1455313 -0.0000000), wk = 0.0024876 k( 10) = ( 0.0591569 0.1637227 -0.0000000), wk = 0.0024876 k( 11) = ( 0.0657299 0.1819141 -0.0000000), wk = 0.0024876 k( 12) = ( 0.0723029 0.2001055 -0.0000000), wk = 0.0024876 k( 13) = ( 0.0788759 0.2182969 -0.0000000), wk = 0.0024876 k( 14) = ( 0.0854489 0.2364884 -0.0000000), wk = 0.0024876 k( 15) = ( 0.0920219 0.2546798 -0.0000000), wk = 0.0024876 k( 16) = ( 0.0985949 0.2728712 -0.0000000), wk = 0.0024876 k( 17) = ( 0.1051679 0.2910626 -0.0000000), wk = 0.0024876 k( 18) = ( 0.1117409 0.3092540 -0.0000000), wk = 0.0024876 k( 19) = ( 0.1183139 0.3274454 -0.0000000), wk = 0.0024876 k( 20) = ( 0.1248869 0.3456368 -0.0000000), wk = 0.0024876 k( 21) = ( 0.1314599 0.3638282 -0.0000000), wk = 0.0024876 k( 22) = ( 0.1380329 0.3820197 -0.0000000), wk = 0.0024876 k( 23) = ( 0.1446059 0.4002111 -0.0000000), wk = 0.0024876 k( 24) = ( 0.1511789 0.4184025 -0.0000000), wk = 0.0024876 k( 25) = ( 0.1577519 0.4365939 -0.0000000), wk = 0.0024876 k( 26) = ( 0.1643249 0.4547853 -0.0000000), wk = 0.0024876 k( 27) = ( 0.1708979 0.4729767 -0.0000000), wk = 0.0024876 k( 28) = ( 0.1774709 0.4911681 -0.0000000), wk = 0.0024876 k( 29) = ( 0.1840439 0.5093595 -0.0000000), wk = 0.0024876 k( 30) = ( 0.1906168 0.5275509 -0.0000000), wk = 0.0024876 k( 31) = ( 0.1971898 0.5457424 -0.0000000), wk = 0.0024876 k( 32) = ( 0.2037628 0.5639338 -0.0000000), wk = 0.0024876 k( 33) = ( 0.2103358 0.5821252 -0.0000000), wk = 0.0024876 k( 34) = ( 0.2169088 0.6003166 -0.0000000), wk = 0.0024876 k( 35) = ( 0.2234818 0.6185080 -0.0000000), wk = 0.0024876 k( 36) = ( 0.2300548 0.6366994 -0.0000000), wk = 0.0024876 k( 37) = ( 0.2366278 0.6548908 -0.0000000), wk = 0.0024876 k( 38) = ( 0.2432008 0.6730823 -0.0000000), wk = 0.0024876 k( 39) = ( 0.2497738 0.6912737 -0.0000000), wk = 0.0024876 k( 40) = ( 0.2563468 0.7094651 -0.0000000), wk = 0.0024876 k( 41) = ( 0.2629198 0.7276565 -0.0000000), wk = 0.0024876 k( 42) = ( 0.2694928 0.7458479 -0.0000000), wk = 0.0024876 k( 43) = ( 0.2760658 0.7640393 -0.0000000), wk = 0.0024876 k( 44) = ( 0.2826388 0.7822307 -0.0000000), wk = 0.0024876 k( 45) = ( 0.2826388 0.7822307 -0.0000000), wk = 0.0024876 k( 46) = ( 0.2637962 0.7822307 -0.0000000), wk = 0.0024876 k( 47) = ( 0.2449536 0.7822307 -0.0000000), wk = 0.0024876 k( 48) = ( 0.2261110 0.7822307 -0.0000000), wk = 0.0024876 k( 49) = ( 0.2072684 0.7822307 -0.0000000), wk = 0.0024876 k( 50) = ( 0.1884258 0.7822307 -0.0000000), wk = 0.0024876 k( 51) = ( 0.1695833 0.7822307 -0.0000000), wk = 0.0024876 k( 52) = ( 0.1507407 0.7822307 -0.0000000), wk = 0.0024876 k( 53) = ( 0.1318981 0.7822307 -0.0000000), wk = 0.0024876 k( 54) = ( 0.1130555 0.7822307 -0.0000000), wk = 0.0024876 k( 55) = ( 0.0942129 0.7822307 -0.0000000), wk = 0.0024876 k( 56) = ( 0.0753703 0.7822307 -0.0000000), wk = 0.0024876 k( 57) = ( 0.0565278 0.7822307 -0.0000000), wk = 0.0024876 k( 58) = ( 0.0376852 0.7822307 -0.0000000), wk = 0.0024876 k( 59) = ( 0.0188426 0.7822307 -0.0000000), wk = 0.0024876 k( 60) = ( 0.0000000 0.7822307 -0.0000000), wk = 0.0024876 k( 61) = ( 0.0000000 0.7822307 -0.0000000), wk = 0.0024876 k( 62) = ( 0.0000000 0.7822307 0.0192256), wk = 0.0024876 k( 63) = ( 0.0000000 0.7822307 0.0384512), wk = 0.0024876 k( 64) = ( 0.0000000 0.7822307 0.0576768), wk = 0.0024876 k( 65) = ( 0.0000000 0.7822307 0.0769024), wk = 0.0024876 k( 66) = ( 0.0000000 0.7822307 0.0961279), wk = 0.0024876 k( 67) = ( 0.0000000 0.7822307 0.1153535), wk = 0.0024876 k( 68) = ( 0.0000000 0.7822307 0.1345791), wk = 0.0024876 k( 69) = ( 0.0000000 0.7822307 0.1538047), wk = 0.0024876 k( 70) = ( 0.0000000 0.7822307 0.1730303), wk = 0.0024876 k( 71) = ( 0.0000000 0.7822307 0.1922559), wk = 0.0024876 k( 72) = ( 0.0000000 0.7822307 0.2114815), wk = 0.0024876 k( 73) = ( 0.0000000 0.7822307 0.2307071), wk = 0.0024876 k( 74) = ( 0.0000000 0.7822307 0.2499327), wk = 0.0024876 k( 75) = ( 0.0000000 0.7822307 0.2691583), wk = 0.0024876 k( 76) = ( 0.0000000 0.7822307 0.2883839), wk = 0.0024876 k( 77) = ( 0.0000000 0.7822307 0.3076095), wk = 0.0024876 k( 78) = ( 0.0000000 0.7822307 0.3268350), wk = 0.0024876 k( 79) = ( 0.0000000 0.7822307 0.3460606), wk = 0.0024876 k( 80) = ( 0.0000000 0.7822307 0.3652862), wk = 0.0024876 k( 81) = ( 0.0000000 0.7822307 0.3845118), wk = 0.0024876 k( 82) = ( 0.0000000 0.7822307 0.4037374), wk = 0.0024876 k( 83) = ( 0.0000000 0.7822307 0.4229630), wk = 0.0024876 k( 84) = ( 0.0000000 0.7822307 0.4421886), wk = 0.0024876 k( 85) = ( 0.0000000 0.7822307 0.4614142), wk = 0.0024876 k( 86) = ( 0.0000000 0.7822307 0.4806398), wk = 0.0024876 k( 87) = ( 0.0000000 0.7822307 0.4998653), wk = 0.0024876 k( 88) = ( 0.0000000 0.7822307 0.5190909), wk = 0.0024876 k( 89) = ( 0.0000000 0.7822307 0.5383165), wk = 0.0024876 k( 90) = ( 0.0000000 0.7822307 0.5575421), wk = 0.0024876 k( 91) = ( 0.0000000 0.7822307 0.5767677), wk = 0.0024876 k( 92) = ( 0.0000000 0.7822307 0.5959933), wk = 0.0024876 k( 93) = ( 0.0000000 0.7822307 0.6152189), wk = 0.0024876 k( 94) = ( 0.0000000 0.7822307 0.6344445), wk = 0.0024876 k( 95) = ( 0.0000000 0.7822307 0.6536701), wk = 0.0024876 k( 96) = ( 0.0000000 0.7822307 0.6728957), wk = 0.0024876 k( 97) = ( 0.0000000 0.7822307 0.6921213), wk = 0.0024876 k( 98) = ( 0.0000000 0.7822307 0.7113469), wk = 0.0024876 k( 99) = ( 0.0000000 0.7822307 0.7305724), wk = 0.0024876 k( 100) = ( 0.0000000 0.7822307 0.7305724), wk = 0.0024876 k( 101) = ( 0.0188426 0.7822307 0.7305724), wk = 0.0024876 k( 102) = ( 0.0376852 0.7822307 0.7305724), wk = 0.0024876 k( 103) = ( 0.0565278 0.7822307 0.7305724), wk = 0.0024876 k( 104) = ( 0.0753703 0.7822307 0.7305724), wk = 0.0024876 k( 105) = ( 0.0942129 0.7822307 0.7305724), wk = 0.0024876 k( 106) = ( 0.1130555 0.7822307 0.7305724), wk = 0.0024876 k( 107) = ( 0.1318981 0.7822307 0.7305724), wk = 0.0024876 k( 108) = ( 0.1507407 0.7822307 0.7305724), wk = 0.0024876 k( 109) = ( 0.1695833 0.7822307 0.7305724), wk = 0.0024876 k( 110) = ( 0.1884258 0.7822307 0.7305724), wk = 0.0024876 k( 111) = ( 0.2072684 0.7822307 0.7305724), wk = 0.0024876 k( 112) = ( 0.2261110 0.7822307 0.7305724), wk = 0.0024876 k( 113) = ( 0.2449536 0.7822307 0.7305724), wk = 0.0024876 k( 114) = ( 0.2637962 0.7822307 0.7305724), wk = 0.0024876 k( 115) = ( 0.2826388 0.7822307 0.7305724), wk = 0.0024876 k( 116) = ( 0.2826388 0.7822307 0.7305724), wk = 0.0024876 k( 117) = ( 0.2760658 0.7640393 0.7305724), wk = 0.0024876 k( 118) = ( 0.2694928 0.7458479 0.7305724), wk = 0.0024876 k( 119) = ( 0.2629198 0.7276565 0.7305724), wk = 0.0024876 k( 120) = ( 0.2563468 0.7094651 0.7305724), wk = 0.0024876 k( 121) = ( 0.2497738 0.6912737 0.7305724), wk = 0.0024876 k( 122) = ( 0.2432008 0.6730823 0.7305724), wk = 0.0024876 k( 123) = ( 0.2366278 0.6548908 0.7305724), wk = 0.0024876 k( 124) = ( 0.2300548 0.6366994 0.7305724), wk = 0.0024876 k( 125) = ( 0.2234818 0.6185080 0.7305724), wk = 0.0024876 k( 126) = ( 0.2169088 0.6003166 0.7305724), wk = 0.0024876 k( 127) = ( 0.2103358 0.5821252 0.7305724), wk = 0.0024876 k( 128) = ( 0.2037628 0.5639338 0.7305724), wk = 0.0024876 k( 129) = ( 0.1971898 0.5457424 0.7305724), wk = 0.0024876 k( 130) = ( 0.1906168 0.5275509 0.7305724), wk = 0.0024876 k( 131) = ( 0.1840439 0.5093595 0.7305724), wk = 0.0024876 k( 132) = ( 0.1774709 0.4911681 0.7305724), wk = 0.0024876 k( 133) = ( 0.1708979 0.4729767 0.7305724), wk = 0.0024876 k( 134) = ( 0.1643249 0.4547853 0.7305724), wk = 0.0024876 k( 135) = ( 0.1577519 0.4365939 0.7305724), wk = 0.0024876 k( 136) = ( 0.1511789 0.4184025 0.7305724), wk = 0.0024876 k( 137) = ( 0.1446059 0.4002111 0.7305724), wk = 0.0024876 k( 138) = ( 0.1380329 0.3820197 0.7305724), wk = 0.0024876 k( 139) = ( 0.1314599 0.3638282 0.7305724), wk = 0.0024876 k( 140) = ( 0.1248869 0.3456368 0.7305724), wk = 0.0024876 k( 141) = ( 0.1183139 0.3274454 0.7305724), wk = 0.0024876 k( 142) = ( 0.1117409 0.3092540 0.7305724), wk = 0.0024876 k( 143) = ( 0.1051679 0.2910626 0.7305724), wk = 0.0024876 k( 144) = ( 0.0985949 0.2728712 0.7305724), wk = 0.0024876 k( 145) = ( 0.0920219 0.2546798 0.7305724), wk = 0.0024876 k( 146) = ( 0.0854489 0.2364884 0.7305724), wk = 0.0024876 k( 147) = ( 0.0788759 0.2182969 0.7305724), wk = 0.0024876 k( 148) = ( 0.0723029 0.2001055 0.7305724), wk = 0.0024876 k( 149) = ( 0.0657299 0.1819141 0.7305724), wk = 0.0024876 k( 150) = ( 0.0591569 0.1637227 0.7305724), wk = 0.0024876 k( 151) = ( 0.0525840 0.1455313 0.7305724), wk = 0.0024876 k( 152) = ( 0.0460110 0.1273399 0.7305724), wk = 0.0024876 k( 153) = ( 0.0394380 0.1091485 0.7305724), wk = 0.0024876 k( 154) = ( 0.0328650 0.0909571 0.7305724), wk = 0.0024876 k( 155) = ( 0.0262920 0.0727657 0.7305724), wk = 0.0024876 k( 156) = ( 0.0197190 0.0545742 0.7305724), wk = 0.0024876 k( 157) = ( 0.0131460 0.0363828 0.7305724), wk = 0.0024876 k( 158) = ( 0.0065730 0.0181914 0.7305724), wk = 0.0024876 k( 159) = ( 0.0000000 0.0000000 0.7305724), wk = 0.0024876 k( 160) = ( 0.0000000 0.0000000 0.7305724), wk = 0.0024876 k( 161) = ( 0.0000000 0.0000000 0.7113469), wk = 0.0024876 k( 162) = ( 0.0000000 0.0000000 0.6921213), wk = 0.0024876 k( 163) = ( 0.0000000 0.0000000 0.6728957), wk = 0.0024876 k( 164) = ( 0.0000000 0.0000000 0.6536701), wk = 0.0024876 k( 165) = ( 0.0000000 0.0000000 0.6344445), wk = 0.0024876 k( 166) = ( 0.0000000 0.0000000 0.6152189), wk = 0.0024876 k( 167) = ( 0.0000000 0.0000000 0.5959933), wk = 0.0024876 k( 168) = ( 0.0000000 0.0000000 0.5767677), wk = 0.0024876 k( 169) = ( 0.0000000 0.0000000 0.5575421), wk = 0.0024876 k( 170) = ( 0.0000000 0.0000000 0.5383165), wk = 0.0024876 k( 171) = ( 0.0000000 0.0000000 0.5190909), wk = 0.0024876 k( 172) = ( 0.0000000 0.0000000 0.4998653), wk = 0.0024876 k( 173) = ( 0.0000000 0.0000000 0.4806398), wk = 0.0024876 k( 174) = ( 0.0000000 0.0000000 0.4614142), wk = 0.0024876 k( 175) = ( 0.0000000 0.0000000 0.4421886), wk = 0.0024876 k( 176) = ( 0.0000000 0.0000000 0.4229630), wk = 0.0024876 k( 177) = ( 0.0000000 0.0000000 0.4037374), wk = 0.0024876 k( 178) = ( 0.0000000 0.0000000 0.3845118), wk = 0.0024876 k( 179) = ( 0.0000000 0.0000000 0.3652862), wk = 0.0024876 k( 180) = ( 0.0000000 0.0000000 0.3460606), wk = 0.0024876 k( 181) = ( 0.0000000 0.0000000 0.3268350), wk = 0.0024876 k( 182) = ( 0.0000000 0.0000000 0.3076095), wk = 0.0024876 k( 183) = ( 0.0000000 0.0000000 0.2883839), wk = 0.0024876 k( 184) = ( 0.0000000 0.0000000 0.2691583), wk = 0.0024876 k( 185) = ( 0.0000000 0.0000000 0.2499327), wk = 0.0024876 k( 186) = ( 0.0000000 0.0000000 0.2307071), wk = 0.0024876 k( 187) = ( 0.0000000 0.0000000 0.2114815), wk = 0.0024876 k( 188) = ( 0.0000000 0.0000000 0.1922559), wk = 0.0024876 k( 189) = ( 0.0000000 0.0000000 0.1730303), wk = 0.0024876 k( 190) = ( 0.0000000 0.0000000 0.1538047), wk = 0.0024876 k( 191) = ( 0.0000000 0.0000000 0.1345791), wk = 0.0024876 k( 192) = ( 0.0000000 0.0000000 0.1153535), wk = 0.0024876 k( 193) = ( 0.0000000 0.0000000 0.0961279), wk = 0.0024876 k( 194) = ( 0.0000000 0.0000000 0.0769024), wk = 0.0024876 k( 195) = ( 0.0000000 0.0000000 0.0576768), wk = 0.0024876 k( 196) = ( 0.0000000 0.0000000 0.0384512), wk = 0.0024876 k( 197) = ( 0.0000000 0.0000000 0.0192256), wk = 0.0024876 k( 198) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 199) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 200) = ( -0.0178571 0.0064522 0.0000000), wk = 0.0024876 k( 201) = ( -0.0357143 0.0129044 0.0000000), wk = 0.0024876 k( 202) = ( -0.0535714 0.0193566 0.0000000), wk = 0.0024876 k( 203) = ( -0.0714286 0.0258089 0.0000000), wk = 0.0024876 k( 204) = ( -0.0892857 0.0322611 0.0000000), wk = 0.0024876 k( 205) = ( -0.1071429 0.0387133 0.0000000), wk = 0.0024876 k( 206) = ( -0.1250000 0.0451655 0.0000000), wk = 0.0024876 k( 207) = ( -0.1428571 0.0516177 0.0000000), wk = 0.0024876 k( 208) = ( -0.1607143 0.0580699 0.0000000), wk = 0.0024876 k( 209) = ( -0.1785714 0.0645222 0.0000000), wk = 0.0024876 k( 210) = ( -0.1964286 0.0709744 0.0000000), wk = 0.0024876 k( 211) = ( -0.2142857 0.0774266 0.0000000), wk = 0.0024876 k( 212) = ( -0.2321429 0.0838788 0.0000000), wk = 0.0024876 k( 213) = ( -0.2500000 0.0903310 0.0000000), wk = 0.0024876 k( 214) = ( -0.2678571 0.0967832 0.0000000), wk = 0.0024876 k( 215) = ( -0.2857143 0.1032354 0.0000000), wk = 0.0024876 k( 216) = ( -0.3035714 0.1096877 0.0000000), wk = 0.0024876 k( 217) = ( -0.3214286 0.1161399 0.0000000), wk = 0.0024876 k( 218) = ( -0.3392857 0.1225921 0.0000000), wk = 0.0024876 k( 219) = ( -0.3571429 0.1290443 0.0000000), wk = 0.0024876 k( 220) = ( -0.3750000 0.1354965 0.0000000), wk = 0.0024876 k( 221) = ( -0.3928571 0.1419487 0.0000000), wk = 0.0024876 k( 222) = ( -0.4107143 0.1484009 0.0000000), wk = 0.0024876 k( 223) = ( -0.4285714 0.1548532 0.0000000), wk = 0.0024876 k( 224) = ( -0.4464286 0.1613054 0.0000000), wk = 0.0024876 k( 225) = ( -0.4642857 0.1677576 0.0000000), wk = 0.0024876 k( 226) = ( -0.4821429 0.1742098 0.0000000), wk = 0.0024876 k( 227) = ( -0.5000000 0.1806620 0.0000000), wk = 0.0024876 k( 228) = ( -0.5000000 0.1806620 0.0000000), wk = 0.0024876 k( 229) = ( -0.4934133 0.1988914 -0.0000000), wk = 0.0024876 k( 230) = ( -0.4868266 0.2171207 -0.0000000), wk = 0.0024876 k( 231) = ( -0.4802399 0.2353501 -0.0000000), wk = 0.0024876 k( 232) = ( -0.4736532 0.2535794 -0.0000000), wk = 0.0024876 k( 233) = ( -0.4670665 0.2718088 -0.0000000), wk = 0.0024876 k( 234) = ( -0.4604798 0.2900381 -0.0000000), wk = 0.0024876 k( 235) = ( -0.4538931 0.3082675 -0.0000000), wk = 0.0024876 k( 236) = ( -0.4473064 0.3264969 -0.0000000), wk = 0.0024876 k( 237) = ( -0.4407197 0.3447262 -0.0000000), wk = 0.0024876 k( 238) = ( -0.4341330 0.3629556 -0.0000000), wk = 0.0024876 k( 239) = ( -0.4275463 0.3811849 -0.0000000), wk = 0.0024876 k( 240) = ( -0.4209596 0.3994143 -0.0000000), wk = 0.0024876 k( 241) = ( -0.4143729 0.4176436 -0.0000000), wk = 0.0024876 k( 242) = ( -0.4077861 0.4358730 -0.0000000), wk = 0.0024876 k( 243) = ( -0.4011994 0.4541023 -0.0000000), wk = 0.0024876 k( 244) = ( -0.3946127 0.4723317 -0.0000000), wk = 0.0024876 k( 245) = ( -0.3880260 0.4905611 -0.0000000), wk = 0.0024876 k( 246) = ( -0.3814393 0.5087904 -0.0000000), wk = 0.0024876 k( 247) = ( -0.3748526 0.5270198 -0.0000000), wk = 0.0024876 k( 248) = ( -0.3682659 0.5452491 -0.0000000), wk = 0.0024876 k( 249) = ( -0.3616792 0.5634785 -0.0000000), wk = 0.0024876 k( 250) = ( -0.3550925 0.5817078 -0.0000000), wk = 0.0024876 k( 251) = ( -0.3485058 0.5999372 -0.0000000), wk = 0.0024876 k( 252) = ( -0.3419191 0.6181665 -0.0000000), wk = 0.0024876 k( 253) = ( -0.3353324 0.6363959 -0.0000000), wk = 0.0024876 k( 254) = ( -0.3287457 0.6546253 -0.0000000), wk = 0.0024876 k( 255) = ( -0.3221590 0.6728546 -0.0000000), wk = 0.0024876 k( 256) = ( -0.3155723 0.6910839 -0.0000000), wk = 0.0024876 k( 257) = ( -0.3089856 0.7093133 -0.0000000), wk = 0.0024876 k( 258) = ( -0.3023989 0.7275427 -0.0000000), wk = 0.0024876 k( 259) = ( -0.2958122 0.7457720 -0.0000000), wk = 0.0024876 k( 260) = ( -0.2892255 0.7640014 -0.0000000), wk = 0.0024876 k( 261) = ( -0.2826388 0.7822307 -0.0000000), wk = 0.0024876 k( 262) = ( -0.2826388 0.7822307 -0.0000000), wk = 0.0024876 k( 263) = ( -0.2826388 0.7822307 0.0192256), wk = 0.0024876 k( 264) = ( -0.2826388 0.7822307 0.0384512), wk = 0.0024876 k( 265) = ( -0.2826388 0.7822307 0.0576768), wk = 0.0024876 k( 266) = ( -0.2826388 0.7822307 0.0769024), wk = 0.0024876 k( 267) = ( -0.2826388 0.7822307 0.0961279), wk = 0.0024876 k( 268) = ( -0.2826388 0.7822307 0.1153535), wk = 0.0024876 k( 269) = ( -0.2826388 0.7822307 0.1345791), wk = 0.0024876 k( 270) = ( -0.2826388 0.7822307 0.1538047), wk = 0.0024876 k( 271) = ( -0.2826388 0.7822307 0.1730303), wk = 0.0024876 k( 272) = ( -0.2826388 0.7822307 0.1922559), wk = 0.0024876 k( 273) = ( -0.2826388 0.7822307 0.2114815), wk = 0.0024876 k( 274) = ( -0.2826388 0.7822307 0.2307071), wk = 0.0024876 k( 275) = ( -0.2826388 0.7822307 0.2499327), wk = 0.0024876 k( 276) = ( -0.2826388 0.7822307 0.2691583), wk = 0.0024876 k( 277) = ( -0.2826388 0.7822307 0.2883839), wk = 0.0024876 k( 278) = ( -0.2826388 0.7822307 0.3076095), wk = 0.0024876 k( 279) = ( -0.2826388 0.7822307 0.3268350), wk = 0.0024876 k( 280) = ( -0.2826388 0.7822307 0.3460606), wk = 0.0024876 k( 281) = ( -0.2826388 0.7822307 0.3652862), wk = 0.0024876 k( 282) = ( -0.2826388 0.7822307 0.3845118), wk = 0.0024876 k( 283) = ( -0.2826388 0.7822307 0.4037374), wk = 0.0024876 k( 284) = ( -0.2826388 0.7822307 0.4229630), wk = 0.0024876 k( 285) = ( -0.2826388 0.7822307 0.4421886), wk = 0.0024876 k( 286) = ( -0.2826388 0.7822307 0.4614142), wk = 0.0024876 k( 287) = ( -0.2826388 0.7822307 0.4806398), wk = 0.0024876 k( 288) = ( -0.2826388 0.7822307 0.4998653), wk = 0.0024876 k( 289) = ( -0.2826388 0.7822307 0.5190909), wk = 0.0024876 k( 290) = ( -0.2826388 0.7822307 0.5383165), wk = 0.0024876 k( 291) = ( -0.2826388 0.7822307 0.5575421), wk = 0.0024876 k( 292) = ( -0.2826388 0.7822307 0.5767677), wk = 0.0024876 k( 293) = ( -0.2826388 0.7822307 0.5959933), wk = 0.0024876 k( 294) = ( -0.2826388 0.7822307 0.6152189), wk = 0.0024876 k( 295) = ( -0.2826388 0.7822307 0.6344445), wk = 0.0024876 k( 296) = ( -0.2826388 0.7822307 0.6536701), wk = 0.0024876 k( 297) = ( -0.2826388 0.7822307 0.6728957), wk = 0.0024876 k( 298) = ( -0.2826388 0.7822307 0.6921213), wk = 0.0024876 k( 299) = ( -0.2826388 0.7822307 0.7113469), wk = 0.0024876 k( 300) = ( -0.2826388 0.7822307 0.7305724), wk = 0.0024876 k( 301) = ( -0.2826388 0.7822307 0.7305724), wk = 0.0024876 k( 302) = ( -0.2892255 0.7640014 0.7305724), wk = 0.0024876 k( 303) = ( -0.2958122 0.7457720 0.7305724), wk = 0.0024876 k( 304) = ( -0.3023989 0.7275427 0.7305724), wk = 0.0024876 k( 305) = ( -0.3089856 0.7093133 0.7305724), wk = 0.0024876 k( 306) = ( -0.3155723 0.6910839 0.7305724), wk = 0.0024876 k( 307) = ( -0.3221590 0.6728546 0.7305724), wk = 0.0024876 k( 308) = ( -0.3287457 0.6546253 0.7305724), wk = 0.0024876 k( 309) = ( -0.3353324 0.6363959 0.7305724), wk = 0.0024876 k( 310) = ( -0.3419191 0.6181665 0.7305724), wk = 0.0024876 k( 311) = ( -0.3485058 0.5999372 0.7305724), wk = 0.0024876 k( 312) = ( -0.3550925 0.5817078 0.7305724), wk = 0.0024876 k( 313) = ( -0.3616792 0.5634785 0.7305724), wk = 0.0024876 k( 314) = ( -0.3682659 0.5452491 0.7305724), wk = 0.0024876 k( 315) = ( -0.3748526 0.5270198 0.7305724), wk = 0.0024876 k( 316) = ( -0.3814393 0.5087904 0.7305724), wk = 0.0024876 k( 317) = ( -0.3880260 0.4905611 0.7305724), wk = 0.0024876 k( 318) = ( -0.3946127 0.4723317 0.7305724), wk = 0.0024876 k( 319) = ( -0.4011994 0.4541023 0.7305724), wk = 0.0024876 k( 320) = ( -0.4077861 0.4358730 0.7305724), wk = 0.0024876 k( 321) = ( -0.4143729 0.4176436 0.7305724), wk = 0.0024876 k( 322) = ( -0.4209596 0.3994143 0.7305724), wk = 0.0024876 k( 323) = ( -0.4275463 0.3811849 0.7305724), wk = 0.0024876 k( 324) = ( -0.4341330 0.3629556 0.7305724), wk = 0.0024876 k( 325) = ( -0.4407197 0.3447262 0.7305724), wk = 0.0024876 k( 326) = ( -0.4473064 0.3264969 0.7305724), wk = 0.0024876 k( 327) = ( -0.4538931 0.3082675 0.7305724), wk = 0.0024876 k( 328) = ( -0.4604798 0.2900381 0.7305724), wk = 0.0024876 k( 329) = ( -0.4670665 0.2718088 0.7305724), wk = 0.0024876 k( 330) = ( -0.4736532 0.2535794 0.7305724), wk = 0.0024876 k( 331) = ( -0.4802399 0.2353501 0.7305724), wk = 0.0024876 k( 332) = ( -0.4868266 0.2171207 0.7305724), wk = 0.0024876 k( 333) = ( -0.4934133 0.1988914 0.7305724), wk = 0.0024876 k( 334) = ( -0.5000000 0.1806620 0.7305724), wk = 0.0024876 k( 335) = ( -0.5000000 0.1806620 0.7305724), wk = 0.0024876 k( 336) = ( -0.5000000 0.1806620 0.7113469), wk = 0.0024876 k( 337) = ( -0.5000000 0.1806620 0.6921213), wk = 0.0024876 k( 338) = ( -0.5000000 0.1806620 0.6728957), wk = 0.0024876 k( 339) = ( -0.5000000 0.1806620 0.6536701), wk = 0.0024876 k( 340) = ( -0.5000000 0.1806620 0.6344445), wk = 0.0024876 k( 341) = ( -0.5000000 0.1806620 0.6152189), wk = 0.0024876 k( 342) = ( -0.5000000 0.1806620 0.5959933), wk = 0.0024876 k( 343) = ( -0.5000000 0.1806620 0.5767677), wk = 0.0024876 k( 344) = ( -0.5000000 0.1806620 0.5575421), wk = 0.0024876 k( 345) = ( -0.5000000 0.1806620 0.5383165), wk = 0.0024876 k( 346) = ( -0.5000000 0.1806620 0.5190909), wk = 0.0024876 k( 347) = ( -0.5000000 0.1806620 0.4998653), wk = 0.0024876 k( 348) = ( -0.5000000 0.1806620 0.4806398), wk = 0.0024876 k( 349) = ( -0.5000000 0.1806620 0.4614142), wk = 0.0024876 k( 350) = ( -0.5000000 0.1806620 0.4421886), wk = 0.0024876 k( 351) = ( -0.5000000 0.1806620 0.4229630), wk = 0.0024876 k( 352) = ( -0.5000000 0.1806620 0.4037374), wk = 0.0024876 k( 353) = ( -0.5000000 0.1806620 0.3845118), wk = 0.0024876 k( 354) = ( -0.5000000 0.1806620 0.3652862), wk = 0.0024876 k( 355) = ( -0.5000000 0.1806620 0.3460606), wk = 0.0024876 k( 356) = ( -0.5000000 0.1806620 0.3268350), wk = 0.0024876 k( 357) = ( -0.5000000 0.1806620 0.3076095), wk = 0.0024876 k( 358) = ( -0.5000000 0.1806620 0.2883839), wk = 0.0024876 k( 359) = ( -0.5000000 0.1806620 0.2691583), wk = 0.0024876 k( 360) = ( -0.5000000 0.1806620 0.2499327), wk = 0.0024876 k( 361) = ( -0.5000000 0.1806620 0.2307071), wk = 0.0024876 k( 362) = ( -0.5000000 0.1806620 0.2114815), wk = 0.0024876 k( 363) = ( -0.5000000 0.1806620 0.1922559), wk = 0.0024876 k( 364) = ( -0.5000000 0.1806620 0.1730303), wk = 0.0024876 k( 365) = ( -0.5000000 0.1806620 0.1538047), wk = 0.0024876 k( 366) = ( -0.5000000 0.1806620 0.1345791), wk = 0.0024876 k( 367) = ( -0.5000000 0.1806620 0.1153535), wk = 0.0024876 k( 368) = ( -0.5000000 0.1806620 0.0961279), wk = 0.0024876 k( 369) = ( -0.5000000 0.1806620 0.0769024), wk = 0.0024876 k( 370) = ( -0.5000000 0.1806620 0.0576768), wk = 0.0024876 k( 371) = ( -0.5000000 0.1806620 0.0384512), wk = 0.0024876 k( 372) = ( -0.5000000 0.1806620 0.0192256), wk = 0.0024876 k( 373) = ( -0.5000000 0.1806620 0.0000000), wk = 0.0024876 k( 374) = ( 0.0000000 0.0000000 0.7305724), wk = 0.0024876 k( 375) = ( -0.0178571 0.0064522 0.7305724), wk = 0.0024876 k( 376) = ( -0.0357143 0.0129044 0.7305724), wk = 0.0024876 k( 377) = ( -0.0535714 0.0193566 0.7305724), wk = 0.0024876 k( 378) = ( -0.0714286 0.0258089 0.7305724), wk = 0.0024876 k( 379) = ( -0.0892857 0.0322611 0.7305724), wk = 0.0024876 k( 380) = ( -0.1071429 0.0387133 0.7305724), wk = 0.0024876 k( 381) = ( -0.1250000 0.0451655 0.7305724), wk = 0.0024876 k( 382) = ( -0.1428571 0.0516177 0.7305724), wk = 0.0024876 k( 383) = ( -0.1607143 0.0580699 0.7305724), wk = 0.0024876 k( 384) = ( -0.1785714 0.0645222 0.7305724), wk = 0.0024876 k( 385) = ( -0.1964286 0.0709744 0.7305724), wk = 0.0024876 k( 386) = ( -0.2142857 0.0774266 0.7305724), wk = 0.0024876 k( 387) = ( -0.2321429 0.0838788 0.7305724), wk = 0.0024876 k( 388) = ( -0.2500000 0.0903310 0.7305724), wk = 0.0024876 k( 389) = ( -0.2678571 0.0967832 0.7305724), wk = 0.0024876 k( 390) = ( -0.2857143 0.1032354 0.7305724), wk = 0.0024876 k( 391) = ( -0.3035714 0.1096877 0.7305724), wk = 0.0024876 k( 392) = ( -0.3214286 0.1161399 0.7305724), wk = 0.0024876 k( 393) = ( -0.3392857 0.1225921 0.7305724), wk = 0.0024876 k( 394) = ( -0.3571429 0.1290443 0.7305724), wk = 0.0024876 k( 395) = ( -0.3750000 0.1354965 0.7305724), wk = 0.0024876 k( 396) = ( -0.3928571 0.1419487 0.7305724), wk = 0.0024876 k( 397) = ( -0.4107143 0.1484009 0.7305724), wk = 0.0024876 k( 398) = ( -0.4285714 0.1548532 0.7305724), wk = 0.0024876 k( 399) = ( -0.4464286 0.1613054 0.7305724), wk = 0.0024876 k( 400) = ( -0.4642857 0.1677576 0.7305724), wk = 0.0024876 k( 401) = ( -0.4821429 0.1742098 0.7305724), wk = 0.0024876 k( 402) = ( -0.5000000 0.1806620 0.7305724), wk = 0.0024876 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 2) = ( 0.0065730 0.0065730 0.0000000), wk = 0.0024876 k( 3) = ( 0.0131460 0.0131460 0.0000000), wk = 0.0024876 k( 4) = ( 0.0197190 0.0197190 0.0000000), wk = 0.0024876 k( 5) = ( 0.0262920 0.0262920 0.0000000), wk = 0.0024876 k( 6) = ( 0.0328650 0.0328650 0.0000000), wk = 0.0024876 k( 7) = ( 0.0394380 0.0394380 -0.0000000), wk = 0.0024876 k( 8) = ( 0.0460110 0.0460110 -0.0000000), wk = 0.0024876 k( 9) = ( 0.0525840 0.0525840 0.0000000), wk = 0.0024876 k( 10) = ( 0.0591569 0.0591570 0.0000000), wk = 0.0024876 k( 11) = ( 0.0657299 0.0657299 -0.0000000), wk = 0.0024876 k( 12) = ( 0.0723029 0.0723029 -0.0000000), wk = 0.0024876 k( 13) = ( 0.0788759 0.0788759 0.0000000), wk = 0.0024876 k( 14) = ( 0.0854489 0.0854489 0.0000000), wk = 0.0024876 k( 15) = ( 0.0920219 0.0920219 -0.0000000), wk = 0.0024876 k( 16) = ( 0.0985949 0.0985949 -0.0000000), wk = 0.0024876 k( 17) = ( 0.1051679 0.1051679 0.0000000), wk = 0.0024876 k( 18) = ( 0.1117409 0.1117409 -0.0000000), wk = 0.0024876 k( 19) = ( 0.1183139 0.1183139 0.0000000), wk = 0.0024876 k( 20) = ( 0.1248869 0.1248869 0.0000000), wk = 0.0024876 k( 21) = ( 0.1314599 0.1314599 0.0000000), wk = 0.0024876 k( 22) = ( 0.1380329 0.1380329 0.0000000), wk = 0.0024876 k( 23) = ( 0.1446059 0.1446059 -0.0000000), wk = 0.0024876 k( 24) = ( 0.1511789 0.1511789 0.0000000), wk = 0.0024876 k( 25) = ( 0.1577519 0.1577519 0.0000000), wk = 0.0024876 k( 26) = ( 0.1643249 0.1643249 0.0000000), wk = 0.0024876 k( 27) = ( 0.1708979 0.1708979 0.0000000), wk = 0.0024876 k( 28) = ( 0.1774709 0.1774709 0.0000000), wk = 0.0024876 k( 29) = ( 0.1840439 0.1840439 0.0000000), wk = 0.0024876 k( 30) = ( 0.1906168 0.1906168 0.0000000), wk = 0.0024876 k( 31) = ( 0.1971898 0.1971898 -0.0000000), wk = 0.0024876 k( 32) = ( 0.2037628 0.2037628 0.0000000), wk = 0.0024876 k( 33) = ( 0.2103358 0.2103358 0.0000000), wk = 0.0024876 k( 34) = ( 0.2169088 0.2169088 0.0000000), wk = 0.0024876 k( 35) = ( 0.2234818 0.2234818 -0.0000000), wk = 0.0024876 k( 36) = ( 0.2300548 0.2300548 0.0000000), wk = 0.0024876 k( 37) = ( 0.2366278 0.2366278 0.0000000), wk = 0.0024876 k( 38) = ( 0.2432008 0.2432008 -0.0000000), wk = 0.0024876 k( 39) = ( 0.2497738 0.2497738 0.0000000), wk = 0.0024876 k( 40) = ( 0.2563468 0.2563468 -0.0000000), wk = 0.0024876 k( 41) = ( 0.2629198 0.2629198 0.0000000), wk = 0.0024876 k( 42) = ( 0.2694928 0.2694928 0.0000000), wk = 0.0024876 k( 43) = ( 0.2760658 0.2760658 0.0000000), wk = 0.0024876 k( 44) = ( 0.2826388 0.2826388 -0.0000000), wk = 0.0024876 k( 45) = ( 0.2826388 0.2826388 -0.0000000), wk = 0.0024876 k( 46) = ( 0.2637962 0.2971295 -0.0000000), wk = 0.0024876 k( 47) = ( 0.2449536 0.3116203 0.0000000), wk = 0.0024876 k( 48) = ( 0.2261110 0.3261110 0.0000000), wk = 0.0024876 k( 49) = ( 0.2072684 0.3406018 0.0000000), wk = 0.0024876 k( 50) = ( 0.1884258 0.3550925 0.0000000), wk = 0.0024876 k( 51) = ( 0.1695833 0.3695833 -0.0000000), wk = 0.0024876 k( 52) = ( 0.1507407 0.3840740 0.0000000), wk = 0.0024876 k( 53) = ( 0.1318981 0.3985648 0.0000000), wk = 0.0024876 k( 54) = ( 0.1130555 0.4130555 -0.0000000), wk = 0.0024876 k( 55) = ( 0.0942129 0.4275463 -0.0000000), wk = 0.0024876 k( 56) = ( 0.0753703 0.4420370 0.0000000), wk = 0.0024876 k( 57) = ( 0.0565278 0.4565278 0.0000000), wk = 0.0024876 k( 58) = ( 0.0376852 0.4710185 -0.0000000), wk = 0.0024876 k( 59) = ( 0.0188426 0.4855093 0.0000000), wk = 0.0024876 k( 60) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024876 k( 61) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024876 k( 62) = ( 0.0000000 0.5000000 0.0131579), wk = 0.0024876 k( 63) = ( 0.0000000 0.5000000 0.0263158), wk = 0.0024876 k( 64) = ( 0.0000000 0.5000000 0.0394737), wk = 0.0024876 k( 65) = ( 0.0000000 0.5000000 0.0526316), wk = 0.0024876 k( 66) = ( 0.0000000 0.5000000 0.0657895), wk = 0.0024876 k( 67) = ( 0.0000000 0.5000000 0.0789474), wk = 0.0024876 k( 68) = ( 0.0000000 0.5000000 0.0921053), wk = 0.0024876 k( 69) = ( 0.0000000 0.5000000 0.1052632), wk = 0.0024876 k( 70) = ( 0.0000000 0.5000000 0.1184210), wk = 0.0024876 k( 71) = ( 0.0000000 0.5000000 0.1315789), wk = 0.0024876 k( 72) = ( 0.0000000 0.5000000 0.1447368), wk = 0.0024876 k( 73) = ( 0.0000000 0.5000000 0.1578947), wk = 0.0024876 k( 74) = ( 0.0000000 0.5000000 0.1710526), wk = 0.0024876 k( 75) = ( 0.0000000 0.5000000 0.1842105), wk = 0.0024876 k( 76) = ( 0.0000000 0.5000000 0.1973684), wk = 0.0024876 k( 77) = ( 0.0000000 0.5000000 0.2105263), wk = 0.0024876 k( 78) = ( 0.0000000 0.5000000 0.2236842), wk = 0.0024876 k( 79) = ( 0.0000000 0.5000000 0.2368421), wk = 0.0024876 k( 80) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0024876 k( 81) = ( 0.0000000 0.5000000 0.2631579), wk = 0.0024876 k( 82) = ( 0.0000000 0.5000000 0.2763158), wk = 0.0024876 k( 83) = ( 0.0000000 0.5000000 0.2894737), wk = 0.0024876 k( 84) = ( 0.0000000 0.5000000 0.3026316), wk = 0.0024876 k( 85) = ( 0.0000000 0.5000000 0.3157895), wk = 0.0024876 k( 86) = ( 0.0000000 0.5000000 0.3289474), wk = 0.0024876 k( 87) = ( 0.0000000 0.5000000 0.3421053), wk = 0.0024876 k( 88) = ( 0.0000000 0.5000000 0.3552632), wk = 0.0024876 k( 89) = ( 0.0000000 0.5000000 0.3684211), wk = 0.0024876 k( 90) = ( 0.0000000 0.5000000 0.3815789), wk = 0.0024876 k( 91) = ( 0.0000000 0.5000000 0.3947368), wk = 0.0024876 k( 92) = ( 0.0000000 0.5000000 0.4078947), wk = 0.0024876 k( 93) = ( 0.0000000 0.5000000 0.4210526), wk = 0.0024876 k( 94) = ( 0.0000000 0.5000000 0.4342105), wk = 0.0024876 k( 95) = ( 0.0000000 0.5000000 0.4473684), wk = 0.0024876 k( 96) = ( 0.0000000 0.5000000 0.4605263), wk = 0.0024876 k( 97) = ( 0.0000000 0.5000000 0.4736842), wk = 0.0024876 k( 98) = ( 0.0000000 0.5000000 0.4868421), wk = 0.0024876 k( 99) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024876 k( 100) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024876 k( 101) = ( 0.0188426 0.4855093 0.5000000), wk = 0.0024876 k( 102) = ( 0.0376852 0.4710185 0.5000000), wk = 0.0024876 k( 103) = ( 0.0565278 0.4565278 0.5000000), wk = 0.0024876 k( 104) = ( 0.0753703 0.4420370 0.5000000), wk = 0.0024876 k( 105) = ( 0.0942129 0.4275463 0.5000000), wk = 0.0024876 k( 106) = ( 0.1130555 0.4130555 0.5000000), wk = 0.0024876 k( 107) = ( 0.1318981 0.3985648 0.5000000), wk = 0.0024876 k( 108) = ( 0.1507407 0.3840740 0.5000000), wk = 0.0024876 k( 109) = ( 0.1695833 0.3695833 0.5000000), wk = 0.0024876 k( 110) = ( 0.1884258 0.3550925 0.5000000), wk = 0.0024876 k( 111) = ( 0.2072684 0.3406018 0.5000000), wk = 0.0024876 k( 112) = ( 0.2261110 0.3261110 0.5000000), wk = 0.0024876 k( 113) = ( 0.2449536 0.3116203 0.5000000), wk = 0.0024876 k( 114) = ( 0.2637962 0.2971295 0.5000000), wk = 0.0024876 k( 115) = ( 0.2826388 0.2826388 0.5000000), wk = 0.0024876 k( 116) = ( 0.2826388 0.2826388 0.5000000), wk = 0.0024876 k( 117) = ( 0.2760658 0.2760658 0.5000000), wk = 0.0024876 k( 118) = ( 0.2694928 0.2694928 0.5000000), wk = 0.0024876 k( 119) = ( 0.2629198 0.2629198 0.5000000), wk = 0.0024876 k( 120) = ( 0.2563468 0.2563468 0.5000000), wk = 0.0024876 k( 121) = ( 0.2497738 0.2497738 0.5000000), wk = 0.0024876 k( 122) = ( 0.2432008 0.2432008 0.5000000), wk = 0.0024876 k( 123) = ( 0.2366278 0.2366278 0.5000000), wk = 0.0024876 k( 124) = ( 0.2300548 0.2300548 0.5000000), wk = 0.0024876 k( 125) = ( 0.2234818 0.2234818 0.5000000), wk = 0.0024876 k( 126) = ( 0.2169088 0.2169088 0.5000000), wk = 0.0024876 k( 127) = ( 0.2103358 0.2103358 0.5000000), wk = 0.0024876 k( 128) = ( 0.2037628 0.2037628 0.5000000), wk = 0.0024876 k( 129) = ( 0.1971898 0.1971898 0.5000000), wk = 0.0024876 k( 130) = ( 0.1906168 0.1906168 0.5000000), wk = 0.0024876 k( 131) = ( 0.1840439 0.1840439 0.5000000), wk = 0.0024876 k( 132) = ( 0.1774709 0.1774709 0.5000000), wk = 0.0024876 k( 133) = ( 0.1708979 0.1708979 0.5000000), wk = 0.0024876 k( 134) = ( 0.1643249 0.1643249 0.5000000), wk = 0.0024876 k( 135) = ( 0.1577519 0.1577519 0.5000000), wk = 0.0024876 k( 136) = ( 0.1511789 0.1511789 0.5000000), wk = 0.0024876 k( 137) = ( 0.1446059 0.1446059 0.5000000), wk = 0.0024876 k( 138) = ( 0.1380329 0.1380329 0.5000000), wk = 0.0024876 k( 139) = ( 0.1314599 0.1314599 0.5000000), wk = 0.0024876 k( 140) = ( 0.1248869 0.1248869 0.5000000), wk = 0.0024876 k( 141) = ( 0.1183139 0.1183139 0.5000000), wk = 0.0024876 k( 142) = ( 0.1117409 0.1117409 0.5000000), wk = 0.0024876 k( 143) = ( 0.1051679 0.1051679 0.5000000), wk = 0.0024876 k( 144) = ( 0.0985949 0.0985949 0.5000000), wk = 0.0024876 k( 145) = ( 0.0920219 0.0920219 0.5000000), wk = 0.0024876 k( 146) = ( 0.0854489 0.0854489 0.5000000), wk = 0.0024876 k( 147) = ( 0.0788759 0.0788759 0.5000000), wk = 0.0024876 k( 148) = ( 0.0723029 0.0723029 0.5000000), wk = 0.0024876 k( 149) = ( 0.0657299 0.0657299 0.5000000), wk = 0.0024876 k( 150) = ( 0.0591569 0.0591570 0.5000000), wk = 0.0024876 k( 151) = ( 0.0525840 0.0525840 0.5000000), wk = 0.0024876 k( 152) = ( 0.0460110 0.0460110 0.5000000), wk = 0.0024876 k( 153) = ( 0.0394380 0.0394380 0.5000000), wk = 0.0024876 k( 154) = ( 0.0328650 0.0328650 0.5000000), wk = 0.0024876 k( 155) = ( 0.0262920 0.0262920 0.5000000), wk = 0.0024876 k( 156) = ( 0.0197190 0.0197190 0.5000000), wk = 0.0024876 k( 157) = ( 0.0131460 0.0131460 0.5000000), wk = 0.0024876 k( 158) = ( 0.0065730 0.0065730 0.5000000), wk = 0.0024876 k( 159) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024876 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024876 k( 161) = ( 0.0000000 0.0000000 0.4868421), wk = 0.0024876 k( 162) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0024876 k( 163) = ( 0.0000000 0.0000000 0.4605263), wk = 0.0024876 k( 164) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0024876 k( 165) = ( 0.0000000 0.0000000 0.4342105), wk = 0.0024876 k( 166) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0024876 k( 167) = ( 0.0000000 0.0000000 0.4078947), wk = 0.0024876 k( 168) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0024876 k( 169) = ( 0.0000000 0.0000000 0.3815789), wk = 0.0024876 k( 170) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0024876 k( 171) = ( 0.0000000 0.0000000 0.3552632), wk = 0.0024876 k( 172) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0024876 k( 173) = ( 0.0000000 0.0000000 0.3289474), wk = 0.0024876 k( 174) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0024876 k( 175) = ( 0.0000000 0.0000000 0.3026316), wk = 0.0024876 k( 176) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0024876 k( 177) = ( 0.0000000 0.0000000 0.2763158), wk = 0.0024876 k( 178) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0024876 k( 179) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0024876 k( 180) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0024876 k( 181) = ( 0.0000000 0.0000000 0.2236842), wk = 0.0024876 k( 182) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0024876 k( 183) = ( 0.0000000 0.0000000 0.1973684), wk = 0.0024876 k( 184) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0024876 k( 185) = ( 0.0000000 0.0000000 0.1710526), wk = 0.0024876 k( 186) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0024876 k( 187) = ( 0.0000000 0.0000000 0.1447368), wk = 0.0024876 k( 188) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0024876 k( 189) = ( 0.0000000 0.0000000 0.1184210), wk = 0.0024876 k( 190) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0024876 k( 191) = ( 0.0000000 0.0000000 0.0921053), wk = 0.0024876 k( 192) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0024876 k( 193) = ( 0.0000000 0.0000000 0.0657895), wk = 0.0024876 k( 194) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0024876 k( 195) = ( 0.0000000 0.0000000 0.0394737), wk = 0.0024876 k( 196) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0024876 k( 197) = ( 0.0000000 0.0000000 0.0131579), wk = 0.0024876 k( 198) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 199) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 200) = ( -0.0178571 0.0178571 -0.0000000), wk = 0.0024876 k( 201) = ( -0.0357143 0.0357143 -0.0000000), wk = 0.0024876 k( 202) = ( -0.0535714 0.0535714 -0.0000000), wk = 0.0024876 k( 203) = ( -0.0714286 0.0714286 0.0000000), wk = 0.0024876 k( 204) = ( -0.0892857 0.0892857 -0.0000000), wk = 0.0024876 k( 205) = ( -0.1071429 0.1071429 -0.0000000), wk = 0.0024876 k( 206) = ( -0.1250000 0.1250000 -0.0000000), wk = 0.0024876 k( 207) = ( -0.1428571 0.1428571 0.0000000), wk = 0.0024876 k( 208) = ( -0.1607143 0.1607143 -0.0000000), wk = 0.0024876 k( 209) = ( -0.1785714 0.1785714 -0.0000000), wk = 0.0024876 k( 210) = ( -0.1964286 0.1964286 -0.0000000), wk = 0.0024876 k( 211) = ( -0.2142857 0.2142857 -0.0000000), wk = 0.0024876 k( 212) = ( -0.2321429 0.2321429 -0.0000000), wk = 0.0024876 k( 213) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0024876 k( 214) = ( -0.2678571 0.2678571 0.0000000), wk = 0.0024876 k( 215) = ( -0.2857143 0.2857143 -0.0000000), wk = 0.0024876 k( 216) = ( -0.3035714 0.3035714 0.0000000), wk = 0.0024876 k( 217) = ( -0.3214286 0.3214286 0.0000000), wk = 0.0024876 k( 218) = ( -0.3392857 0.3392857 0.0000000), wk = 0.0024876 k( 219) = ( -0.3571429 0.3571429 -0.0000000), wk = 0.0024876 k( 220) = ( -0.3750000 0.3750000 -0.0000000), wk = 0.0024876 k( 221) = ( -0.3928571 0.3928571 -0.0000000), wk = 0.0024876 k( 222) = ( -0.4107143 0.4107143 0.0000000), wk = 0.0024876 k( 223) = ( -0.4285714 0.4285714 0.0000000), wk = 0.0024876 k( 224) = ( -0.4464286 0.4464286 -0.0000000), wk = 0.0024876 k( 225) = ( -0.4642857 0.4642857 -0.0000000), wk = 0.0024876 k( 226) = ( -0.4821429 0.4821429 -0.0000000), wk = 0.0024876 k( 227) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0024876 k( 228) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0024876 k( 229) = ( -0.4934133 0.5065867 -0.0000000), wk = 0.0024876 k( 230) = ( -0.4868266 0.5131734 -0.0000000), wk = 0.0024876 k( 231) = ( -0.4802399 0.5197601 0.0000000), wk = 0.0024876 k( 232) = ( -0.4736532 0.5263468 -0.0000000), wk = 0.0024876 k( 233) = ( -0.4670665 0.5329335 0.0000000), wk = 0.0024876 k( 234) = ( -0.4604798 0.5395202 -0.0000000), wk = 0.0024876 k( 235) = ( -0.4538931 0.5461069 -0.0000000), wk = 0.0024876 k( 236) = ( -0.4473064 0.5526936 -0.0000000), wk = 0.0024876 k( 237) = ( -0.4407197 0.5592803 0.0000000), wk = 0.0024876 k( 238) = ( -0.4341330 0.5658670 -0.0000000), wk = 0.0024876 k( 239) = ( -0.4275463 0.5724537 -0.0000000), wk = 0.0024876 k( 240) = ( -0.4209596 0.5790405 -0.0000000), wk = 0.0024876 k( 241) = ( -0.4143729 0.5856271 0.0000000), wk = 0.0024876 k( 242) = ( -0.4077861 0.5922139 -0.0000000), wk = 0.0024876 k( 243) = ( -0.4011994 0.5988006 0.0000000), wk = 0.0024876 k( 244) = ( -0.3946127 0.6053873 -0.0000000), wk = 0.0024876 k( 245) = ( -0.3880260 0.6119740 0.0000000), wk = 0.0024876 k( 246) = ( -0.3814393 0.6185607 -0.0000000), wk = 0.0024876 k( 247) = ( -0.3748526 0.6251474 0.0000000), wk = 0.0024876 k( 248) = ( -0.3682659 0.6317341 -0.0000000), wk = 0.0024876 k( 249) = ( -0.3616792 0.6383208 0.0000000), wk = 0.0024876 k( 250) = ( -0.3550925 0.6449075 -0.0000000), wk = 0.0024876 k( 251) = ( -0.3485058 0.6514942 -0.0000000), wk = 0.0024876 k( 252) = ( -0.3419191 0.6580809 -0.0000000), wk = 0.0024876 k( 253) = ( -0.3353324 0.6646676 0.0000000), wk = 0.0024876 k( 254) = ( -0.3287457 0.6712543 -0.0000000), wk = 0.0024876 k( 255) = ( -0.3221590 0.6778410 0.0000000), wk = 0.0024876 k( 256) = ( -0.3155723 0.6844277 -0.0000000), wk = 0.0024876 k( 257) = ( -0.3089856 0.6910144 0.0000000), wk = 0.0024876 k( 258) = ( -0.3023989 0.6976011 -0.0000000), wk = 0.0024876 k( 259) = ( -0.2958122 0.7041878 0.0000000), wk = 0.0024876 k( 260) = ( -0.2892255 0.7107745 0.0000000), wk = 0.0024876 k( 261) = ( -0.2826388 0.7173612 0.0000000), wk = 0.0024876 k( 262) = ( -0.2826388 0.7173612 0.0000000), wk = 0.0024876 k( 263) = ( -0.2826388 0.7173612 0.0131579), wk = 0.0024876 k( 264) = ( -0.2826388 0.7173612 0.0263158), wk = 0.0024876 k( 265) = ( -0.2826388 0.7173612 0.0394737), wk = 0.0024876 k( 266) = ( -0.2826388 0.7173612 0.0526316), wk = 0.0024876 k( 267) = ( -0.2826388 0.7173612 0.0657895), wk = 0.0024876 k( 268) = ( -0.2826388 0.7173612 0.0789474), wk = 0.0024876 k( 269) = ( -0.2826388 0.7173612 0.0921053), wk = 0.0024876 k( 270) = ( -0.2826388 0.7173612 0.1052632), wk = 0.0024876 k( 271) = ( -0.2826388 0.7173612 0.1184210), wk = 0.0024876 k( 272) = ( -0.2826388 0.7173612 0.1315790), wk = 0.0024876 k( 273) = ( -0.2826388 0.7173612 0.1447368), wk = 0.0024876 k( 274) = ( -0.2826388 0.7173612 0.1578947), wk = 0.0024876 k( 275) = ( -0.2826388 0.7173612 0.1710526), wk = 0.0024876 k( 276) = ( -0.2826388 0.7173612 0.1842105), wk = 0.0024876 k( 277) = ( -0.2826388 0.7173612 0.1973684), wk = 0.0024876 k( 278) = ( -0.2826388 0.7173612 0.2105263), wk = 0.0024876 k( 279) = ( -0.2826388 0.7173612 0.2236842), wk = 0.0024876 k( 280) = ( -0.2826388 0.7173612 0.2368421), wk = 0.0024876 k( 281) = ( -0.2826388 0.7173612 0.2500000), wk = 0.0024876 k( 282) = ( -0.2826388 0.7173612 0.2631579), wk = 0.0024876 k( 283) = ( -0.2826388 0.7173612 0.2763158), wk = 0.0024876 k( 284) = ( -0.2826388 0.7173612 0.2894737), wk = 0.0024876 k( 285) = ( -0.2826388 0.7173612 0.3026316), wk = 0.0024876 k( 286) = ( -0.2826388 0.7173612 0.3157895), wk = 0.0024876 k( 287) = ( -0.2826388 0.7173612 0.3289474), wk = 0.0024876 k( 288) = ( -0.2826388 0.7173612 0.3421053), wk = 0.0024876 k( 289) = ( -0.2826388 0.7173612 0.3552632), wk = 0.0024876 k( 290) = ( -0.2826388 0.7173612 0.3684210), wk = 0.0024876 k( 291) = ( -0.2826388 0.7173612 0.3815789), wk = 0.0024876 k( 292) = ( -0.2826388 0.7173612 0.3947368), wk = 0.0024876 k( 293) = ( -0.2826388 0.7173612 0.4078947), wk = 0.0024876 k( 294) = ( -0.2826388 0.7173612 0.4210526), wk = 0.0024876 k( 295) = ( -0.2826388 0.7173612 0.4342105), wk = 0.0024876 k( 296) = ( -0.2826388 0.7173612 0.4473684), wk = 0.0024876 k( 297) = ( -0.2826388 0.7173612 0.4605263), wk = 0.0024876 k( 298) = ( -0.2826388 0.7173612 0.4736842), wk = 0.0024876 k( 299) = ( -0.2826388 0.7173612 0.4868421), wk = 0.0024876 k( 300) = ( -0.2826388 0.7173612 0.5000000), wk = 0.0024876 k( 301) = ( -0.2826388 0.7173612 0.5000000), wk = 0.0024876 k( 302) = ( -0.2892255 0.7107745 0.5000000), wk = 0.0024876 k( 303) = ( -0.2958122 0.7041878 0.5000000), wk = 0.0024876 k( 304) = ( -0.3023989 0.6976011 0.5000000), wk = 0.0024876 k( 305) = ( -0.3089856 0.6910144 0.5000000), wk = 0.0024876 k( 306) = ( -0.3155723 0.6844277 0.5000000), wk = 0.0024876 k( 307) = ( -0.3221590 0.6778410 0.5000000), wk = 0.0024876 k( 308) = ( -0.3287457 0.6712543 0.5000000), wk = 0.0024876 k( 309) = ( -0.3353324 0.6646676 0.5000000), wk = 0.0024876 k( 310) = ( -0.3419191 0.6580809 0.5000000), wk = 0.0024876 k( 311) = ( -0.3485058 0.6514942 0.5000000), wk = 0.0024876 k( 312) = ( -0.3550925 0.6449075 0.5000000), wk = 0.0024876 k( 313) = ( -0.3616792 0.6383208 0.5000000), wk = 0.0024876 k( 314) = ( -0.3682659 0.6317341 0.5000000), wk = 0.0024876 k( 315) = ( -0.3748526 0.6251474 0.5000000), wk = 0.0024876 k( 316) = ( -0.3814393 0.6185607 0.5000000), wk = 0.0024876 k( 317) = ( -0.3880260 0.6119740 0.5000000), wk = 0.0024876 k( 318) = ( -0.3946127 0.6053873 0.5000000), wk = 0.0024876 k( 319) = ( -0.4011994 0.5988006 0.5000000), wk = 0.0024876 k( 320) = ( -0.4077861 0.5922139 0.5000000), wk = 0.0024876 k( 321) = ( -0.4143729 0.5856271 0.5000000), wk = 0.0024876 k( 322) = ( -0.4209596 0.5790405 0.5000000), wk = 0.0024876 k( 323) = ( -0.4275463 0.5724537 0.5000000), wk = 0.0024876 k( 324) = ( -0.4341330 0.5658670 0.5000000), wk = 0.0024876 k( 325) = ( -0.4407197 0.5592803 0.5000000), wk = 0.0024876 k( 326) = ( -0.4473064 0.5526936 0.5000000), wk = 0.0024876 k( 327) = ( -0.4538931 0.5461069 0.5000000), wk = 0.0024876 k( 328) = ( -0.4604798 0.5395202 0.5000000), wk = 0.0024876 k( 329) = ( -0.4670665 0.5329335 0.5000000), wk = 0.0024876 k( 330) = ( -0.4736532 0.5263468 0.5000000), wk = 0.0024876 k( 331) = ( -0.4802399 0.5197601 0.5000000), wk = 0.0024876 k( 332) = ( -0.4868266 0.5131734 0.5000000), wk = 0.0024876 k( 333) = ( -0.4934133 0.5065867 0.5000000), wk = 0.0024876 k( 334) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024876 k( 335) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024876 k( 336) = ( -0.5000000 0.5000000 0.4868421), wk = 0.0024876 k( 337) = ( -0.5000000 0.5000000 0.4736842), wk = 0.0024876 k( 338) = ( -0.5000000 0.5000000 0.4605263), wk = 0.0024876 k( 339) = ( -0.5000000 0.5000000 0.4473684), wk = 0.0024876 k( 340) = ( -0.5000000 0.5000000 0.4342105), wk = 0.0024876 k( 341) = ( -0.5000000 0.5000000 0.4210526), wk = 0.0024876 k( 342) = ( -0.5000000 0.5000000 0.4078947), wk = 0.0024876 k( 343) = ( -0.5000000 0.5000000 0.3947368), wk = 0.0024876 k( 344) = ( -0.5000000 0.5000000 0.3815789), wk = 0.0024876 k( 345) = ( -0.5000000 0.5000000 0.3684211), wk = 0.0024876 k( 346) = ( -0.5000000 0.5000000 0.3552632), wk = 0.0024876 k( 347) = ( -0.5000000 0.5000000 0.3421053), wk = 0.0024876 k( 348) = ( -0.5000000 0.5000000 0.3289474), wk = 0.0024876 k( 349) = ( -0.5000000 0.5000000 0.3157895), wk = 0.0024876 k( 350) = ( -0.5000000 0.5000000 0.3026316), wk = 0.0024876 k( 351) = ( -0.5000000 0.5000000 0.2894737), wk = 0.0024876 k( 352) = ( -0.5000000 0.5000000 0.2763158), wk = 0.0024876 k( 353) = ( -0.5000000 0.5000000 0.2631579), wk = 0.0024876 k( 354) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0024876 k( 355) = ( -0.5000000 0.5000000 0.2368421), wk = 0.0024876 k( 356) = ( -0.5000000 0.5000000 0.2236842), wk = 0.0024876 k( 357) = ( -0.5000000 0.5000000 0.2105263), wk = 0.0024876 k( 358) = ( -0.5000000 0.5000000 0.1973684), wk = 0.0024876 k( 359) = ( -0.5000000 0.5000000 0.1842105), wk = 0.0024876 k( 360) = ( -0.5000000 0.5000000 0.1710526), wk = 0.0024876 k( 361) = ( -0.5000000 0.5000000 0.1578947), wk = 0.0024876 k( 362) = ( -0.5000000 0.5000000 0.1447368), wk = 0.0024876 k( 363) = ( -0.5000000 0.5000000 0.1315790), wk = 0.0024876 k( 364) = ( -0.5000000 0.5000000 0.1184210), wk = 0.0024876 k( 365) = ( -0.5000000 0.5000000 0.1052632), wk = 0.0024876 k( 366) = ( -0.5000000 0.5000000 0.0921053), wk = 0.0024876 k( 367) = ( -0.5000000 0.5000000 0.0789474), wk = 0.0024876 k( 368) = ( -0.5000000 0.5000000 0.0657895), wk = 0.0024876 k( 369) = ( -0.5000000 0.5000000 0.0526316), wk = 0.0024876 k( 370) = ( -0.5000000 0.5000000 0.0394737), wk = 0.0024876 k( 371) = ( -0.5000000 0.5000000 0.0263158), wk = 0.0024876 k( 372) = ( -0.5000000 0.5000000 0.0131579), wk = 0.0024876 k( 373) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0024876 k( 374) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024876 k( 375) = ( -0.0178571 0.0178571 0.5000000), wk = 0.0024876 k( 376) = ( -0.0357143 0.0357143 0.5000000), wk = 0.0024876 k( 377) = ( -0.0535714 0.0535714 0.5000000), wk = 0.0024876 k( 378) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0024876 k( 379) = ( -0.0892857 0.0892857 0.5000000), wk = 0.0024876 k( 380) = ( -0.1071429 0.1071429 0.5000000), wk = 0.0024876 k( 381) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0024876 k( 382) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0024876 k( 383) = ( -0.1607143 0.1607143 0.5000000), wk = 0.0024876 k( 384) = ( -0.1785714 0.1785714 0.5000000), wk = 0.0024876 k( 385) = ( -0.1964286 0.1964286 0.5000000), wk = 0.0024876 k( 386) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0024876 k( 387) = ( -0.2321429 0.2321429 0.5000000), wk = 0.0024876 k( 388) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0024876 k( 389) = ( -0.2678571 0.2678571 0.5000000), wk = 0.0024876 k( 390) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0024876 k( 391) = ( -0.3035714 0.3035714 0.5000000), wk = 0.0024876 k( 392) = ( -0.3214286 0.3214286 0.5000000), wk = 0.0024876 k( 393) = ( -0.3392857 0.3392857 0.5000000), wk = 0.0024876 k( 394) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0024876 k( 395) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0024876 k( 396) = ( -0.3928571 0.3928571 0.5000000), wk = 0.0024876 k( 397) = ( -0.4107143 0.4107143 0.5000000), wk = 0.0024876 k( 398) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0024876 k( 399) = ( -0.4464286 0.4464286 0.5000000), wk = 0.0024876 k( 400) = ( -0.4642857 0.4642857 0.5000000), wk = 0.0024876 k( 401) = ( -0.4821429 0.4821429 0.5000000), wk = 0.0024876 k( 402) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024876 Dense grid: 44751 G-vectors FFT dimensions: ( 60, 60, 40) Smooth grid: 30177 G-vectors FFT dimensions: ( 54, 54, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 180, 48) NL pseudopotentials 0.19 Mb ( 90, 136) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 933) G-vector shells 0.00 Mb ( 484) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.53 Mb ( 180, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.20 Mb ( 136, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./SnS.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.8 secs Computing kpt #: 2 total cpu time spent up to now is 44.7 secs Computing kpt #: 3 total cpu time spent up to now is 46.3 secs Computing kpt #: 4 total cpu time spent up to now is 48.3 secs Computing kpt #: 5 total cpu time spent up to now is 50.3 secs Computing kpt #: 6 total cpu time spent up to now is 52.2 secs Computing kpt #: 7 total cpu time spent up to now is 54.1 secs Computing kpt #: 8 total cpu time spent up to now is 56.0 secs Computing kpt #: 9 total cpu time spent up to now is 57.9 secs Computing kpt #: 10 total cpu time spent up to now is 59.7 secs Computing kpt #: 11 total cpu time spent up to now is 61.5 secs Computing kpt #: 12 total cpu time spent up to now is 63.2 secs Computing kpt #: 13 total cpu time spent up to now is 64.8 secs Computing kpt #: 14 total cpu time spent up to now is 66.5 secs Computing kpt #: 15 total cpu time spent up to now is 68.1 secs Computing kpt #: 16 total cpu time spent up to now is 69.5 secs Computing kpt #: 17 total cpu time spent up to now is 70.9 secs Computing kpt #: 18 total cpu time spent up to now is 72.2 secs Computing kpt #: 19 total cpu time spent up to now is 73.6 secs Computing kpt #: 20 total cpu time spent up to now is 74.9 secs Computing kpt #: 21 total cpu time spent up to now is 76.2 secs Computing kpt #: 22 total cpu time spent up to now is 77.5 secs Computing kpt #: 23 total cpu time spent up to now is 78.8 secs Computing kpt #: 24 total cpu time spent up to now is 80.0 secs Computing kpt #: 25 total cpu time spent up to now is 81.3 secs Computing kpt #: 26 total cpu time spent up to now is 82.5 secs Computing kpt #: 27 total cpu time spent up to now is 83.8 secs Computing kpt #: 28 total cpu time spent up to now is 85.1 secs Computing kpt #: 29 total cpu time spent up to now is 86.3 secs Computing kpt #: 30 total cpu time spent up to now is 87.6 secs Computing kpt #: 31 total cpu time spent up to now is 89.0 secs Computing kpt #: 32 total cpu time spent up to now is 90.7 secs Computing kpt #: 33 total cpu time spent up to now is 92.3 secs Computing kpt #: 34 total cpu time spent up to now is 93.6 secs Computing kpt #: 35 total cpu time spent up to now is 94.9 secs Computing kpt #: 36 total cpu time spent up to now is 96.3 secs Computing kpt #: 37 total cpu time spent up to now is 97.6 secs Computing kpt #: 38 total cpu time spent up to now is 98.9 secs Computing kpt #: 39 total cpu time spent up to now is 100.3 secs Computing kpt #: 40 total cpu time spent up to now is 101.7 secs Computing kpt #: 41 total cpu time spent up to now is 103.0 secs Computing kpt #: 42 total cpu time spent up to now is 104.3 secs Computing kpt #: 43 total cpu time spent up to now is 105.6 secs Computing kpt #: 44 total cpu time spent up to now is 108.2 secs Computing kpt #: 45 total cpu time spent up to now is 111.3 secs Computing kpt #: 46 total cpu time spent up to now is 112.5 secs Computing kpt #: 47 total cpu time spent up to now is 114.0 secs Computing kpt #: 48 total cpu time spent up to now is 115.3 secs Computing kpt #: 49 total cpu time spent up to now is 116.6 secs Computing kpt #: 50 total cpu time spent up to now is 117.9 secs Computing kpt #: 51 total cpu time spent up to now is 119.3 secs Computing kpt #: 52 total cpu time spent up to now is 120.6 secs Computing kpt #: 53 total cpu time spent up to now is 122.0 secs Computing kpt #: 54 total cpu time spent up to now is 123.4 secs Computing kpt #: 55 total cpu time spent up to now is 124.8 secs Computing kpt #: 56 total cpu time spent up to now is 126.2 secs Computing kpt #: 57 total cpu time spent up to now is 128.1 secs Computing kpt #: 58 total cpu time spent up to now is 131.5 secs Computing kpt #: 59 total cpu time spent up to now is 134.1 secs Computing kpt #: 60 total cpu time spent up to now is 135.4 secs Computing kpt #: 61 total cpu time spent up to now is 136.7 secs Computing kpt #: 62 total cpu time spent up to now is 138.1 secs Computing kpt #: 63 total cpu time spent up to now is 139.5 secs Computing kpt #: 64 total cpu time spent up to now is 140.8 secs Computing kpt #: 65 total cpu time spent up to now is 142.1 secs Computing kpt #: 66 total cpu time spent up to now is 143.6 secs Computing kpt #: 67 total cpu time spent up to now is 144.9 secs Computing kpt #: 68 total cpu time spent up to now is 146.2 secs Computing kpt #: 69 total cpu time spent up to now is 147.4 secs Computing kpt #: 70 total cpu time spent up to now is 148.7 secs Computing kpt #: 71 total cpu time spent up to now is 149.8 secs Computing kpt #: 72 total cpu time spent up to now is 151.0 secs Computing kpt #: 73 total cpu time spent up to now is 152.4 secs Computing kpt #: 74 total cpu time spent up to now is 153.7 secs Computing kpt #: 75 total cpu time spent up to now is 155.9 secs Computing kpt #: 76 total cpu time spent up to now is 159.3 secs Computing kpt #: 77 total cpu time spent up to now is 161.4 secs Computing kpt #: 78 total cpu time spent up to now is 162.7 secs Computing kpt #: 79 total cpu time spent up to now is 164.0 secs Computing kpt #: 80 total cpu time spent up to now is 165.3 secs Computing kpt #: 81 total cpu time spent up to now is 166.6 secs Computing kpt #: 82 total cpu time spent up to now is 167.9 secs Computing kpt #: 83 total cpu time spent up to now is 169.3 secs Computing kpt #: 84 total cpu time spent up to now is 170.7 secs Computing kpt #: 85 total cpu time spent up to now is 172.0 secs Computing kpt #: 86 total cpu time spent up to now is 173.5 secs Computing kpt #: 87 total cpu time spent up to now is 174.7 secs Computing kpt #: 88 total cpu time spent up to now is 176.0 secs Computing kpt #: 89 total cpu time spent up to now is 178.2 secs Computing kpt #: 90 total cpu time spent up to now is 181.4 secs Computing kpt #: 91 total cpu time spent up to now is 182.8 secs Computing kpt #: 92 total cpu time spent up to now is 184.1 secs Computing kpt #: 93 total cpu time spent up to now is 185.3 secs Computing kpt #: 94 total cpu time spent up to now is 186.7 secs Computing kpt #: 95 total cpu time spent up to now is 188.0 secs Computing kpt #: 96 total cpu time spent up to now is 189.3 secs Computing kpt #: 97 total cpu time spent up to now is 190.5 secs Computing kpt #: 98 total cpu time spent up to now is 191.8 secs Computing kpt #: 99 total cpu time spent up to now is 193.1 secs Computing kpt #: 100 total cpu time spent up to now is 194.4 secs Computing kpt #: 101 total cpu time spent up to now is 195.6 secs Computing kpt #: 102 total cpu time spent up to now is 197.8 secs Computing kpt #: 103 total cpu time spent up to now is 201.1 secs Computing kpt #: 104 total cpu time spent up to now is 202.6 secs Computing kpt #: 105 total cpu time spent up to now is 203.8 secs Computing kpt #: 106 total cpu time spent up to now is 205.1 secs Computing kpt #: 107 total cpu time spent up to now is 206.4 secs Computing kpt #: 108 total cpu time spent up to now is 207.8 secs Computing kpt #: 109 total cpu time spent up to now is 209.2 secs Computing kpt #: 110 total cpu time spent up to now is 210.5 secs Computing kpt #: 111 total cpu time spent up to now is 211.9 secs Computing kpt #: 112 total cpu time spent up to now is 213.2 secs Computing kpt #: 113 total cpu time spent up to now is 214.5 secs Computing kpt #: 114 total cpu time spent up to now is 216.6 secs Computing kpt #: 115 total cpu time spent up to now is 219.8 secs Computing kpt #: 116 total cpu time spent up to now is 221.2 secs Computing kpt #: 117 total cpu time spent up to now is 222.5 secs Computing kpt #: 118 total cpu time spent up to now is 223.8 secs Computing kpt #: 119 total cpu time spent up to now is 225.0 secs Computing kpt #: 120 total cpu time spent up to now is 226.3 secs Computing kpt #: 121 total cpu time spent up to now is 227.6 secs Computing kpt #: 122 total cpu time spent up to now is 228.8 secs Computing kpt #: 123 total cpu time spent up to now is 230.1 secs Computing kpt #: 124 total cpu time spent up to now is 231.3 secs Computing kpt #: 125 total cpu time spent up to now is 232.6 secs Computing kpt #: 126 total cpu time spent up to now is 233.8 secs Computing kpt #: 127 total cpu time spent up to now is 235.1 secs Computing kpt #: 128 total cpu time spent up to now is 237.3 secs Computing kpt #: 129 total cpu time spent up to now is 240.5 secs Computing kpt #: 130 total cpu time spent up to now is 242.1 secs Computing kpt #: 131 total cpu time spent up to now is 243.4 secs Computing kpt #: 132 total cpu time spent up to now is 244.7 secs Computing kpt #: 133 total cpu time spent up to now is 246.2 secs Computing kpt #: 134 total cpu time spent up to now is 247.8 secs Computing kpt #: 135 total cpu time spent up to now is 249.2 secs Computing kpt #: 136 total cpu time spent up to now is 250.5 secs Computing kpt #: 137 total cpu time spent up to now is 251.9 secs Computing kpt #: 138 total cpu time spent up to now is 253.2 secs Computing kpt #: 139 total cpu time spent up to now is 254.5 secs Computing kpt #: 140 total cpu time spent up to now is 255.8 secs Computing kpt #: 141 total cpu time spent up to now is 258.1 secs Computing kpt #: 142 total cpu time spent up to now is 261.3 secs Computing kpt #: 143 total cpu time spent up to now is 263.1 secs Computing kpt #: 144 total cpu time spent up to now is 264.3 secs Computing kpt #: 145 total cpu time spent up to now is 265.5 secs Computing kpt #: 146 total cpu time spent up to now is 266.6 secs Computing kpt #: 147 total cpu time spent up to now is 267.7 secs Computing kpt #: 148 total cpu time spent up to now is 268.8 secs Computing kpt #: 149 total cpu time spent up to now is 270.0 secs Computing kpt #: 150 total cpu time spent up to now is 271.1 secs Computing kpt #: 151 total cpu time spent up to now is 272.2 secs Computing kpt #: 152 total cpu time spent up to now is 273.4 secs Computing kpt #: 153 total cpu time spent up to now is 274.5 secs Computing kpt #: 154 total cpu time spent up to now is 275.6 secs Computing kpt #: 155 total cpu time spent up to now is 276.7 secs Computing kpt #: 156 total cpu time spent up to now is 277.8 secs Computing kpt #: 157 total cpu time spent up to now is 278.9 secs Computing kpt #: 158 total cpu time spent up to now is 280.0 secs Computing kpt #: 159 total cpu time spent up to now is 281.3 secs Computing kpt #: 160 total cpu time spent up to now is 284.1 secs Computing kpt #: 161 total cpu time spent up to now is 286.4 secs Computing kpt #: 162 total cpu time spent up to now is 287.5 secs Computing kpt #: 163 total cpu time spent up to now is 288.6 secs Computing kpt #: 164 total cpu time spent up to now is 289.7 secs Computing kpt #: 165 total cpu time spent up to now is 290.8 secs Computing kpt #: 166 total cpu time spent up to now is 291.8 secs Computing kpt #: 167 total cpu time spent up to now is 293.0 secs Computing kpt #: 168 total cpu time spent up to now is 294.1 secs Computing kpt #: 169 total cpu time spent up to now is 295.3 secs Computing kpt #: 170 total cpu time spent up to now is 296.4 secs Computing kpt #: 171 total cpu time spent up to now is 298.1 secs Computing kpt #: 172 total cpu time spent up to now is 299.3 secs Computing kpt #: 173 total cpu time spent up to now is 300.7 secs Computing kpt #: 174 total cpu time spent up to now is 302.1 secs Computing kpt #: 175 total cpu time spent up to now is 303.6 secs Computing kpt #: 176 total cpu time spent up to now is 304.8 secs Computing kpt #: 177 total cpu time spent up to now is 306.1 secs Computing kpt #: 178 total cpu time spent up to now is 307.4 secs Computing kpt #: 179 total cpu time spent up to now is 308.7 secs Computing kpt #: 180 total cpu time spent up to now is 311.7 secs Computing kpt #: 181 total cpu time spent up to now is 313.7 secs Computing kpt #: 182 total cpu time spent up to now is 315.0 secs Computing kpt #: 183 total cpu time spent up to now is 316.4 secs Computing kpt #: 184 total cpu time spent up to now is 318.1 secs Computing kpt #: 185 total cpu time spent up to now is 319.6 secs Computing kpt #: 186 total cpu time spent up to now is 321.2 secs Computing kpt #: 187 total cpu time spent up to now is 322.8 secs Computing kpt #: 188 total cpu time spent up to now is 324.4 secs Computing kpt #: 189 total cpu time spent up to now is 326.2 secs Computing kpt #: 190 total cpu time spent up to now is 328.2 secs Computing kpt #: 191 total cpu time spent up to now is 329.9 secs Computing kpt #: 192 total cpu time spent up to now is 331.9 secs Computing kpt #: 193 total cpu time spent up to now is 333.7 secs Computing kpt #: 194 total cpu time spent up to now is 335.5 secs Computing kpt #: 195 total cpu time spent up to now is 337.3 secs Computing kpt #: 196 total cpu time spent up to now is 339.0 secs Computing kpt #: 197 total cpu time spent up to now is 340.7 secs Computing kpt #: 198 total cpu time spent up to now is 342.3 secs Computing kpt #: 199 total cpu time spent up to now is 343.8 secs Computing kpt #: 200 total cpu time spent up to now is 345.4 secs Computing kpt #: 201 total cpu time spent up to now is 347.1 secs Computing kpt #: 202 total cpu time spent up to now is 348.7 secs Computing kpt #: 203 total cpu time spent up to now is 350.5 secs Computing kpt #: 204 total cpu time spent up to now is 352.0 secs Computing kpt #: 205 total cpu time spent up to now is 353.6 secs Computing kpt #: 206 total cpu time spent up to now is 355.1 secs Computing kpt #: 207 total cpu time spent up to now is 356.6 secs Computing kpt #: 208 total cpu time spent up to now is 358.2 secs Computing kpt #: 209 total cpu time spent up to now is 359.6 secs Computing kpt #: 210 total cpu time spent up to now is 361.0 secs Computing kpt #: 211 total cpu time spent up to now is 362.4 secs Computing kpt #: 212 total cpu time spent up to now is 363.7 secs Computing kpt #: 213 total cpu time spent up to now is 365.1 secs Computing kpt #: 214 total cpu time spent up to now is 366.6 secs Computing kpt #: 215 total cpu time spent up to now is 368.0 secs Computing kpt #: 216 total cpu time spent up to now is 369.5 secs Computing kpt #: 217 total cpu time spent up to now is 370.9 secs Computing kpt #: 218 total cpu time spent up to now is 372.3 secs Computing kpt #: 219 total cpu time spent up to now is 373.8 secs Computing kpt #: 220 total cpu time spent up to now is 375.5 secs Computing kpt #: 221 total cpu time spent up to now is 377.1 secs Computing kpt #: 222 total cpu time spent up to now is 379.2 secs Computing kpt #: 223 total cpu time spent up to now is 381.9 secs Computing kpt #: 224 total cpu time spent up to now is 384.1 secs Computing kpt #: 225 total cpu time spent up to now is 386.0 secs Computing kpt #: 226 total cpu time spent up to now is 387.6 secs Computing kpt #: 227 total cpu time spent up to now is 389.5 secs Computing kpt #: 228 total cpu time spent up to now is 391.4 secs Computing kpt #: 229 total cpu time spent up to now is 393.0 secs Computing kpt #: 230 total cpu time spent up to now is 394.7 secs Computing kpt #: 231 total cpu time spent up to now is 396.5 secs Computing kpt #: 232 total cpu time spent up to now is 398.6 secs Computing kpt #: 233 total cpu time spent up to now is 400.5 secs Computing kpt #: 234 total cpu time spent up to now is 402.4 secs Computing kpt #: 235 total cpu time spent up to now is 404.0 secs Computing kpt #: 236 total cpu time spent up to now is 406.3 secs Computing kpt #: 237 total cpu time spent up to now is 407.9 secs Computing kpt #: 238 total cpu time spent up to now is 409.5 secs Computing kpt #: 239 total cpu time spent up to now is 411.1 secs Computing kpt #: 240 total cpu time spent up to now is 412.5 secs Computing kpt #: 241 total cpu time spent up to now is 413.9 secs Computing kpt #: 242 total cpu time spent up to now is 415.5 secs Computing kpt #: 243 total cpu time spent up to now is 417.6 secs Computing kpt #: 244 total cpu time spent up to now is 419.9 secs Computing kpt #: 245 total cpu time spent up to now is 421.2 secs Computing kpt #: 246 total cpu time spent up to now is 422.7 secs Computing kpt #: 247 total cpu time spent up to now is 424.2 secs Computing kpt #: 248 total cpu time spent up to now is 425.5 secs Computing kpt #: 249 total cpu time spent up to now is 426.7 secs Computing kpt #: 250 total cpu time spent up to now is 428.1 secs Computing kpt #: 251 total cpu time spent up to now is 429.2 secs Computing kpt #: 252 total cpu time spent up to now is 430.3 secs Computing kpt #: 253 total cpu time spent up to now is 431.4 secs Computing kpt #: 254 total cpu time spent up to now is 432.5 secs Computing kpt #: 255 total cpu time spent up to now is 433.8 secs Computing kpt #: 256 total cpu time spent up to now is 434.9 secs Computing kpt #: 257 total cpu time spent up to now is 435.9 secs Computing kpt #: 258 total cpu time spent up to now is 437.0 secs Computing kpt #: 259 total cpu time spent up to now is 438.9 secs Computing kpt #: 260 total cpu time spent up to now is 440.2 secs Computing kpt #: 261 total cpu time spent up to now is 441.5 secs Computing kpt #: 262 total cpu time spent up to now is 442.8 secs Computing kpt #: 263 total cpu time spent up to now is 444.1 secs Computing kpt #: 264 total cpu time spent up to now is 445.5 secs Computing kpt #: 265 total cpu time spent up to now is 446.9 secs Computing kpt #: 266 total cpu time spent up to now is 448.2 secs Computing kpt #: 267 total cpu time spent up to now is 449.5 secs Computing kpt #: 268 total cpu time spent up to now is 450.9 secs Computing kpt #: 269 total cpu time spent up to now is 452.2 secs Computing kpt #: 270 total cpu time spent up to now is 453.6 secs Computing kpt #: 271 total cpu time spent up to now is 454.9 secs Computing kpt #: 272 total cpu time spent up to now is 456.1 secs Computing kpt #: 273 total cpu time spent up to now is 457.4 secs Computing kpt #: 274 total cpu time spent up to now is 458.8 secs Computing kpt #: 275 total cpu time spent up to now is 460.0 secs Computing kpt #: 276 total cpu time spent up to now is 461.3 secs Computing kpt #: 277 total cpu time spent up to now is 462.5 secs Computing kpt #: 278 total cpu time spent up to now is 463.8 secs Computing kpt #: 279 total cpu time spent up to now is 465.1 secs Computing kpt #: 280 total cpu time spent up to now is 466.5 secs Computing kpt #: 281 total cpu time spent up to now is 467.9 secs Computing kpt #: 282 total cpu time spent up to now is 469.2 secs Computing kpt #: 283 total cpu time spent up to now is 470.5 secs Computing kpt #: 284 total cpu time spent up to now is 471.7 secs Computing kpt #: 285 total cpu time spent up to now is 473.0 secs Computing kpt #: 286 total cpu time spent up to now is 474.3 secs Computing kpt #: 287 total cpu time spent up to now is 475.7 secs Computing kpt #: 288 total cpu time spent up to now is 477.1 secs Computing kpt #: 289 total cpu time spent up to now is 478.5 secs Computing kpt #: 290 total cpu time spent up to now is 479.8 secs Computing kpt #: 291 total cpu time spent up to now is 481.2 secs Computing kpt #: 292 total cpu time spent up to now is 482.5 secs Computing kpt #: 293 total cpu time spent up to now is 483.9 secs Computing kpt #: 294 total cpu time spent up to now is 485.7 secs Computing kpt #: 295 total cpu time spent up to now is 487.7 secs Computing kpt #: 296 total cpu time spent up to now is 489.7 secs Computing kpt #: 297 total cpu time spent up to now is 490.9 secs Computing kpt #: 298 total cpu time spent up to now is 492.2 secs Computing kpt #: 299 total cpu time spent up to now is 493.5 secs Computing kpt #: 300 total cpu time spent up to now is 494.8 secs Computing kpt #: 301 total cpu time spent up to now is 496.0 secs Computing kpt #: 302 total cpu time spent up to now is 497.6 secs Computing kpt #: 303 total cpu time spent up to now is 499.1 secs Computing kpt #: 304 total cpu time spent up to now is 500.6 secs Computing kpt #: 305 total cpu time spent up to now is 501.9 secs Computing kpt #: 306 total cpu time spent up to now is 503.2 secs Computing kpt #: 307 total cpu time spent up to now is 504.6 secs Computing kpt #: 308 total cpu time spent up to now is 506.0 secs Computing kpt #: 309 total cpu time spent up to now is 507.5 secs Computing kpt #: 310 total cpu time spent up to now is 508.9 secs Computing kpt #: 311 total cpu time spent up to now is 510.5 secs Computing kpt #: 312 total cpu time spent up to now is 512.3 secs Computing kpt #: 313 total cpu time spent up to now is 513.9 secs Computing kpt #: 314 total cpu time spent up to now is 515.5 secs Computing kpt #: 315 total cpu time spent up to now is 517.1 secs Computing kpt #: 316 total cpu time spent up to now is 518.7 secs Computing kpt #: 317 total cpu time spent up to now is 520.5 secs Computing kpt #: 318 total cpu time spent up to now is 522.2 secs Computing kpt #: 319 total cpu time spent up to now is 523.8 secs Computing kpt #: 320 total cpu time spent up to now is 525.3 secs Computing kpt #: 321 total cpu time spent up to now is 526.9 secs Computing kpt #: 322 total cpu time spent up to now is 528.5 secs Computing kpt #: 323 total cpu time spent up to now is 529.9 secs Computing kpt #: 324 total cpu time spent up to now is 531.3 secs Computing kpt #: 325 total cpu time spent up to now is 532.7 secs Computing kpt #: 326 total cpu time spent up to now is 534.0 secs Computing kpt #: 327 total cpu time spent up to now is 535.5 secs Computing kpt #: 328 total cpu time spent up to now is 537.0 secs Computing kpt #: 329 total cpu time spent up to now is 538.4 secs Computing kpt #: 330 total cpu time spent up to now is 539.9 secs Computing kpt #: 331 total cpu time spent up to now is 541.2 secs Computing kpt #: 332 total cpu time spent up to now is 542.5 secs Computing kpt #: 333 total cpu time spent up to now is 543.8 secs Computing kpt #: 334 total cpu time spent up to now is 545.2 secs Computing kpt #: 335 total cpu time spent up to now is 546.5 secs Computing kpt #: 336 total cpu time spent up to now is 547.8 secs Computing kpt #: 337 total cpu time spent up to now is 549.2 secs Computing kpt #: 338 total cpu time spent up to now is 550.7 secs Computing kpt #: 339 total cpu time spent up to now is 552.0 secs Computing kpt #: 340 total cpu time spent up to now is 553.5 secs Computing kpt #: 341 total cpu time spent up to now is 555.0 secs Computing kpt #: 342 total cpu time spent up to now is 556.4 secs Computing kpt #: 343 total cpu time spent up to now is 557.7 secs Computing kpt #: 344 total cpu time spent up to now is 559.2 secs Computing kpt #: 345 total cpu time spent up to now is 560.7 secs Computing kpt #: 346 total cpu time spent up to now is 562.2 secs Computing kpt #: 347 total cpu time spent up to now is 563.6 secs Computing kpt #: 348 total cpu time spent up to now is 565.0 secs Computing kpt #: 349 total cpu time spent up to now is 566.4 secs Computing kpt #: 350 total cpu time spent up to now is 567.8 secs Computing kpt #: 351 total cpu time spent up to now is 569.3 secs Computing kpt #: 352 total cpu time spent up to now is 570.7 secs Computing kpt #: 353 total cpu time spent up to now is 572.2 secs Computing kpt #: 354 total cpu time spent up to now is 573.7 secs Computing kpt #: 355 total cpu time spent up to now is 575.3 secs Computing kpt #: 356 total cpu time spent up to now is 577.0 secs Computing kpt #: 357 total cpu time spent up to now is 578.8 secs Computing kpt #: 358 total cpu time spent up to now is 580.7 secs Computing kpt #: 359 total cpu time spent up to now is 582.5 secs Computing kpt #: 360 total cpu time spent up to now is 584.3 secs Computing kpt #: 361 total cpu time spent up to now is 586.2 secs Computing kpt #: 362 total cpu time spent up to now is 588.0 secs Computing kpt #: 363 total cpu time spent up to now is 589.9 secs Computing kpt #: 364 total cpu time spent up to now is 591.7 secs Computing kpt #: 365 total cpu time spent up to now is 593.3 secs Computing kpt #: 366 total cpu time spent up to now is 595.0 secs Computing kpt #: 367 total cpu time spent up to now is 596.7 secs Computing kpt #: 368 total cpu time spent up to now is 598.4 secs Computing kpt #: 369 total cpu time spent up to now is 600.3 secs Computing kpt #: 370 total cpu time spent up to now is 602.2 secs Computing kpt #: 371 total cpu time spent up to now is 604.0 secs Computing kpt #: 372 total cpu time spent up to now is 605.6 secs Computing kpt #: 373 total cpu time spent up to now is 607.2 secs Computing kpt #: 374 total cpu time spent up to now is 608.3 secs Computing kpt #: 375 total cpu time spent up to now is 609.4 secs Computing kpt #: 376 total cpu time spent up to now is 610.5 secs Computing kpt #: 377 total cpu time spent up to now is 611.6 secs Computing kpt #: 378 total cpu time spent up to now is 612.7 secs Computing kpt #: 379 total cpu time spent up to now is 613.8 secs Computing kpt #: 380 total cpu time spent up to now is 615.0 secs Computing kpt #: 381 total cpu time spent up to now is 616.1 secs Computing kpt #: 382 total cpu time spent up to now is 617.3 secs Computing kpt #: 383 total cpu time spent up to now is 618.4 secs Computing kpt #: 384 total cpu time spent up to now is 619.8 secs Computing kpt #: 385 total cpu time spent up to now is 621.0 secs Computing kpt #: 386 total cpu time spent up to now is 622.5 secs Computing kpt #: 387 total cpu time spent up to now is 623.7 secs Computing kpt #: 388 total cpu time spent up to now is 624.8 secs Computing kpt #: 389 total cpu time spent up to now is 626.0 secs Computing kpt #: 390 total cpu time spent up to now is 627.1 secs Computing kpt #: 391 total cpu time spent up to now is 628.3 secs Computing kpt #: 392 total cpu time spent up to now is 629.5 secs Computing kpt #: 393 total cpu time spent up to now is 630.6 secs Computing kpt #: 394 total cpu time spent up to now is 631.9 secs Computing kpt #: 395 total cpu time spent up to now is 633.2 secs Computing kpt #: 396 total cpu time spent up to now is 634.7 secs Computing kpt #: 397 total cpu time spent up to now is 636.0 secs Computing kpt #: 398 total cpu time spent up to now is 637.3 secs Computing kpt #: 399 total cpu time spent up to now is 638.8 secs Computing kpt #: 400 total cpu time spent up to now is 640.1 secs Computing kpt #: 401 total cpu time spent up to now is 641.3 secs Computing kpt #: 402 total cpu time spent up to now is 642.8 secs ethr = 2.50E-11, avg # of iterations = 26.1 total cpu time spent up to now is 643.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3807 PWs) bands (ev): -13.9995 -13.9995 -13.9942 -13.9942 -13.9666 -13.9666 -13.9536 -13.9536 -12.9719 -12.9719 -12.9710 -12.9710 -12.9482 -12.9482 -12.9320 -12.9320 -12.9199 -12.9199 -12.9044 -12.9044 -5.5159 -5.5159 -3.8360 -3.8360 2.0584 2.0584 2.3111 2.3111 3.4493 3.4493 4.4306 4.4306 4.8776 4.8776 5.7024 5.7024 6.1909 6.1909 7.3529 7.3529 11.6696 11.6696 11.8046 11.8046 11.9083 11.9083 12.2966 12.2966 k = 0.0066 0.0182-0.0000 ( 3807 PWs) bands (ev): -13.9995 -13.9995 -13.9942 -13.9942 -13.9666 -13.9666 -13.9536 -13.9536 -12.9719 -12.9719 -12.9709 -12.9709 -12.9482 -12.9482 -12.9320 -12.9320 -12.9199 -12.9199 -12.9044 -12.9044 -5.5150 -5.5150 -3.8360 -3.8360 2.0557 2.0557 2.3094 2.3094 3.4455 3.4455 4.4319 4.4319 4.8800 4.8800 5.7088 5.7088 6.1917 6.1917 7.3527 7.3527 11.6390 11.6390 11.7809 11.7809 11.9583 11.9583 12.2963 12.2963 k = 0.0131 0.0364-0.0000 ( 3811 PWs) bands (ev): -13.9995 -13.9995 -13.9942 -13.9942 -13.9666 -13.9666 -13.9535 -13.9535 -12.9719 -12.9719 -12.9709 -12.9709 -12.9482 -12.9482 -12.9320 -12.9320 -12.9199 -12.9199 -12.9044 -12.9044 -5.5121 -5.5121 -3.8361 -3.8361 2.0475 2.0475 2.3044 2.3044 3.4342 3.4342 4.4360 4.4360 4.8874 4.8874 5.7278 5.7278 6.1941 6.1941 7.3520 7.3520 11.5542 11.5542 11.7733 11.7733 12.0352 12.0352 12.2977 12.2977 k = 0.0197 0.0546-0.0000 ( 3811 PWs) bands (ev): -13.9995 -13.9995 -13.9942 -13.9942 -13.9665 -13.9665 -13.9535 -13.9535 -12.9719 -12.9719 -12.9709 -12.9709 -12.9482 -12.9482 -12.9319 -12.9319 -12.9199 -12.9199 -12.9044 -12.9044 -5.5074 -5.5074 -3.8362 -3.8362 2.0340 2.0340 2.2957 2.2957 3.4163 3.4163 4.4427 4.4427 4.8996 4.8996 5.7587 5.7587 6.1980 6.1980 7.3508 7.3508 11.4446 11.4446 11.7857 11.7857 12.0956 12.0956 12.3100 12.3100 k = 0.0263 0.0728-0.0000 ( 3815 PWs) bands (ev): -13.9994 -13.9994 -13.9942 -13.9942 -13.9665 -13.9665 -13.9535 -13.9535 -12.9719 -12.9719 -12.9708 -12.9708 -12.9482 -12.9482 -12.9318 -12.9318 -12.9200 -12.9200 -12.9044 -12.9044 -5.5009 -5.5009 -3.8364 -3.8364 2.0154 2.0154 2.2829 2.2829 3.3934 3.3934 4.4521 4.4521 4.9165 4.9165 5.8006 5.8006 6.2035 6.2035 7.3491 7.3491 11.3254 11.3254 11.8086 11.8086 12.1209 12.1209 12.3445 12.3445 k = 0.0329 0.0910-0.0000 ( 3811 PWs) bands (ev): -13.9994 -13.9994 -13.9942 -13.9942 -13.9665 -13.9665 -13.9535 -13.9535 -12.9719 -12.9719 -12.9707 -12.9707 -12.9482 -12.9482 -12.9317 -12.9317 -12.9200 -12.9200 -12.9045 -12.9045 -5.4924 -5.4924 -3.8367 -3.8367 1.9921 1.9921 2.2654 2.2654 3.3671 3.3671 4.4642 4.4642 4.9378 4.9378 5.8522 5.8522 6.2107 6.2107 7.3470 7.3470 11.2011 11.2011 11.8383 11.8383 12.1127 12.1127 12.3947 12.3947 k = 0.0394 0.1091-0.0000 ( 3799 PWs) bands (ev): -13.9994 -13.9994 -13.9942 -13.9942 -13.9665 -13.9665 -13.9534 -13.9534 -12.9719 -12.9719 -12.9706 -12.9706 -12.9482 -12.9482 -12.9316 -12.9316 -12.9200 -12.9200 -12.9045 -12.9045 -5.4822 -5.4822 -3.8371 -3.8371 1.9644 1.9644 2.2426 2.2426 3.3393 3.3393 4.4789 4.4789 4.9633 4.9633 5.9120 5.9120 6.2197 6.2197 7.3444 7.3444 11.0736 11.0736 11.8722 11.8722 12.0853 12.0853 12.4393 12.4393 k = 0.0460 0.1273-0.0000 ( 3787 PWs) bands (ev): -13.9993 -13.9993 -13.9942 -13.9942 -13.9664 -13.9664 -13.9534 -13.9534 -12.9719 -12.9719 -12.9705 -12.9705 -12.9481 -12.9481 -12.9315 -12.9315 -12.9200 -12.9200 -12.9046 -12.9046 -5.4701 -5.4701 -3.8377 -3.8377 1.9329 1.9329 2.2138 2.2138 3.3121 3.3121 4.4962 4.4962 4.9927 4.9927 5.9784 5.9784 6.2307 6.2307 7.3413 7.3413 10.9439 10.9439 11.9044 11.9044 12.0506 12.0506 12.4551 12.4551 k = 0.0526 0.1455-0.0000 ( 3787 PWs) bands (ev): -13.9993 -13.9993 -13.9942 -13.9942 -13.9664 -13.9664 -13.9533 -13.9533 -12.9719 -12.9719 -12.9704 -12.9704 -12.9481 -12.9481 -12.9313 -12.9313 -12.9201 -12.9201 -12.9046 -12.9046 -5.4562 -5.4562 -3.8385 -3.8385 1.8979 1.8979 2.1784 2.1784 3.2872 3.2872 4.5160 4.5160 5.0258 5.0258 6.0494 6.0494 6.2444 6.2444 7.3377 7.3377 10.8127 10.8127 11.9157 11.9157 12.0290 12.0290 12.4251 12.4251 k = 0.0592 0.1637-0.0000 ( 3785 PWs) bands (ev): -13.9992 -13.9992 -13.9941 -13.9941 -13.9663 -13.9663 -13.9533 -13.9533 -12.9719 -12.9719 -12.9703 -12.9703 -12.9481 -12.9481 -12.9311 -12.9311 -12.9201 -12.9201 -12.9046 -12.9046 -5.4405 -5.4405 -3.8396 -3.8396 1.8600 1.8600 2.1361 2.1361 3.2661 3.2661 4.5384 4.5384 5.0623 5.0623 6.1217 6.1217 6.2631 6.2631 7.3337 7.3337 10.6806 10.6806 11.8814 11.8814 12.0437 12.0437 12.3581 12.3581 k = 0.0657 0.1819-0.0000 ( 3785 PWs) bands (ev): -13.9992 -13.9992 -13.9941 -13.9941 -13.9663 -13.9663 -13.9532 -13.9532 -12.9719 -12.9719 -12.9701 -12.9701 -12.9481 -12.9481 -12.9309 -12.9309 -12.9202 -12.9202 -12.9047 -12.9047 -5.4230 -5.4230 -3.8411 -3.8411 1.8198 1.8198 2.0866 2.0866 3.2500 3.2500 4.5633 4.5633 5.1018 5.1018 6.1873 6.1873 6.2936 6.2936 7.3293 7.3293 10.5479 10.5479 11.8195 11.8195 12.0724 12.0724 12.2721 12.2721 k = 0.0723 0.2001-0.0000 ( 3785 PWs) bands (ev): -13.9991 -13.9991 -13.9941 -13.9941 -13.9662 -13.9662 -13.9532 -13.9532 -12.9719 -12.9719 -12.9700 -12.9700 -12.9481 -12.9481 -12.9307 -12.9307 -12.9202 -12.9202 -12.9048 -12.9048 -5.4038 -5.4038 -3.8429 -3.8429 1.7776 1.7776 2.0301 2.0301 3.2397 3.2397 4.5907 4.5907 5.1440 5.1440 6.2331 6.2331 6.3480 6.3480 7.3244 7.3244 10.4151 10.4151 11.7451 11.7451 12.0903 12.0903 12.1803 12.1803 k = 0.0789 0.2183-0.0000 ( 3781 PWs) bands (ev): -13.9990 -13.9990 -13.9941 -13.9941 -13.9662 -13.9662 -13.9531 -13.9531 -12.9719 -12.9719 -12.9698 -12.9698 -12.9480 -12.9480 -12.9305 -12.9305 -12.9203 -12.9203 -12.9048 -12.9048 -5.3829 -5.3829 -3.8452 -3.8452 1.7341 1.7341 1.9670 1.9670 3.2354 3.2354 4.6205 4.6205 5.1888 5.1888 6.2606 6.2606 6.4238 6.4238 7.3191 7.3191 10.2826 10.2826 11.6628 11.6628 12.0532 12.0532 12.1195 12.1195 k = 0.0854 0.2365-0.0000 ( 3785 PWs) bands (ev): -13.9989 -13.9989 -13.9941 -13.9941 -13.9661 -13.9661 -13.9530 -13.9530 -12.9719 -12.9719 -12.9696 -12.9696 -12.9480 -12.9480 -12.9303 -12.9303 -12.9203 -12.9203 -12.9049 -12.9049 -5.3604 -5.3604 -3.8481 -3.8481 1.6897 1.6897 1.8979 1.8979 3.2372 3.2372 4.6526 4.6526 5.2357 5.2357 6.2808 6.2808 6.5094 6.5094 7.3135 7.3135 10.1507 10.1507 11.5744 11.5744 11.9569 11.9569 12.0883 12.0883 k = 0.0920 0.2547-0.0000 ( 3789 PWs) bands (ev): -13.9989 -13.9989 -13.9940 -13.9940 -13.9661 -13.9661 -13.9529 -13.9529 -12.9719 -12.9719 -12.9694 -12.9694 -12.9479 -12.9479 -12.9300 -12.9300 -12.9204 -12.9204 -12.9049 -12.9049 -5.3362 -5.3362 -3.8516 -3.8516 1.6450 1.6450 1.8238 1.8238 3.2448 3.2448 4.6871 4.6871 5.2847 5.2847 6.2984 6.2984 6.5990 6.5990 7.3077 7.3077 10.0198 10.0198 11.4809 11.4809 11.8527 11.8527 12.0360 12.0360 k = 0.0986 0.2729-0.0000 ( 3789 PWs) bands (ev): -13.9988 -13.9988 -13.9940 -13.9940 -13.9660 -13.9660 -13.9529 -13.9529 -12.9719 -12.9719 -12.9693 -12.9693 -12.9479 -12.9479 -12.9298 -12.9298 -12.9204 -12.9204 -12.9050 -12.9050 -5.3105 -5.3105 -3.8558 -3.8558 1.6003 1.6003 1.7453 1.7453 3.2581 3.2581 4.7239 4.7239 5.3354 5.3354 6.3149 6.3149 6.6905 6.6905 7.3016 7.3016 9.8903 9.8903 11.3831 11.3831 11.7476 11.7476 11.9614 11.9614 k = 0.1052 0.2911-0.0000 ( 3793 PWs) bands (ev): -13.9987 -13.9987 -13.9940 -13.9940 -13.9659 -13.9659 -13.9528 -13.9528 -12.9719 -12.9719 -12.9691 -12.9691 -12.9478 -12.9478 -12.9295 -12.9295 -12.9205 -12.9205 -12.9050 -12.9050 -5.2832 -5.2832 -3.8609 -3.8609 1.5561 1.5561 1.6633 1.6633 3.2765 3.2765 4.7629 4.7629 5.3875 5.3875 6.3308 6.3308 6.7826 6.7826 7.2955 7.2955 9.7625 9.7625 11.2819 11.2819 11.6434 11.6434 11.8705 11.8705 k = 0.1117 0.3093-0.0000 ( 3789 PWs) bands (ev): -13.9986 -13.9986 -13.9940 -13.9940 -13.9659 -13.9659 -13.9527 -13.9527 -12.9719 -12.9719 -12.9689 -12.9689 -12.9478 -12.9478 -12.9292 -12.9292 -12.9205 -12.9205 -12.9051 -12.9051 -5.2545 -5.2545 -3.8668 -3.8668 1.5128 1.5128 1.5787 1.5787 3.2996 3.2996 4.8040 4.8040 5.4410 5.4410 6.3460 6.3460 6.8745 6.8745 7.2896 7.2896 9.6369 9.6369 11.1779 11.1779 11.5411 11.5411 11.7687 11.7687 k = 0.1183 0.3274-0.0000 ( 3789 PWs) bands (ev): -13.9985 -13.9985 -13.9940 -13.9940 -13.9658 -13.9658 -13.9526 -13.9526 -12.9719 -12.9719 -12.9687 -12.9687 -12.9477 -12.9477 -12.9290 -12.9290 -12.9206 -12.9206 -12.9052 -12.9052 -5.2244 -5.2244 -3.8737 -3.8737 1.4705 1.4705 1.4925 1.4925 3.3271 3.3271 4.8473 4.8473 5.4954 5.4954 6.3604 6.3604 6.9653 6.9653 7.2841 7.2841 9.5140 9.5140 11.0717 11.0717 11.4416 11.4416 11.6596 11.6596 k = 0.1249 0.3456-0.0000 ( 3781 PWs) bands (ev): -13.9984 -13.9984 -13.9939 -13.9939 -13.9657 -13.9657 -13.9525 -13.9525 -12.9719 -12.9719 -12.9685 -12.9685 -12.9476 -12.9476 -12.9287 -12.9287 -12.9207 -12.9207 -12.9052 -12.9052 -5.1930 -5.1930 -3.8817 -3.8817 1.4032 1.4032 1.4316 1.4316 3.3587 3.3587 4.8925 4.8925 5.5506 5.5506 6.3740 6.3740 7.0536 7.0536 7.2799 7.2799 9.3944 9.3944 10.9639 10.9639 11.3454 11.3454 11.5460 11.5460 k = 0.1315 0.3638-0.0000 ( 3771 PWs) bands (ev): -13.9984 -13.9984 -13.9939 -13.9939 -13.9656 -13.9656 -13.9524 -13.9524 -12.9719 -12.9719 -12.9683 -12.9683 -12.9476 -12.9476 -12.9284 -12.9284 -12.9208 -12.9208 -12.9053 -12.9053 -5.1602 -5.1602 -3.8908 -3.8908 1.3149 1.3149 1.3932 1.3932 3.3939 3.3939 4.9396 4.9396 5.6063 5.6063 6.3864 6.3864 7.1369 7.1369 7.2787 7.2787 9.2790 9.2790 10.8551 10.8551 11.2530 11.2530 11.4296 11.4296 k = 0.1380 0.3820-0.0000 ( 3773 PWs) bands (ev): -13.9983 -13.9983 -13.9939 -13.9939 -13.9656 -13.9656 -13.9523 -13.9523 -12.9719 -12.9719 -12.9682 -12.9682 -12.9475 -12.9475 -12.9281 -12.9281 -12.9208 -12.9208 -12.9053 -12.9053 -5.1263 -5.1263 -3.9012 -3.9012 1.2260 1.2260 1.3575 1.3575 3.4325 3.4325 4.9886 4.9886 5.6622 5.6622 6.3975 6.3975 7.2058 7.2058 7.2895 7.2895 9.1687 9.1687 10.7457 10.7457 11.1647 11.1647 11.3120 11.3120 k = 0.1446 0.4002-0.0000 ( 3769 PWs) bands (ev): -13.9982 -13.9982 -13.9939 -13.9939 -13.9655 -13.9655 -13.9522 -13.9522 -12.9720 -12.9720 -12.9680 -12.9680 -12.9474 -12.9474 -12.9279 -12.9279 -12.9209 -12.9209 -12.9053 -12.9053 -5.0913 -5.0913 -3.9128 -3.9128 1.1374 1.1374 1.3244 1.3244 3.4743 3.4743 5.0392 5.0392 5.7178 5.7178 6.4069 6.4069 7.2367 7.2367 7.3345 7.3345 9.0649 9.0649 10.6363 10.6363 11.0803 11.0803 11.1948 11.1948 k = 0.1512 0.4184-0.0000 ( 3761 PWs) bands (ev): -13.9981 -13.9981 -13.9939 -13.9939 -13.9654 -13.9654 -13.9522 -13.9522 -12.9720 -12.9720 -12.9678 -12.9678 -12.9473 -12.9473 -12.9276 -12.9276 -12.9210 -12.9210 -12.9054 -12.9054 -5.0553 -5.0553 -3.9259 -3.9259 1.0494 1.0494 1.2944 1.2944 3.5190 3.5190 5.0915 5.0915 5.7730 5.7730 6.4143 6.4143 7.2430 7.2430 7.3992 7.3992 8.9693 8.9693 10.5272 10.5272 10.9981 10.9981 11.0808 11.0808 k = 0.1578 0.4366-0.0000 ( 3763 PWs) bands (ev): -13.9980 -13.9980 -13.9939 -13.9939 -13.9653 -13.9653 -13.9521 -13.9521 -12.9720 -12.9720 -12.9677 -12.9677 -12.9472 -12.9472 -12.9273 -12.9273 -12.9210 -12.9210 -12.9054 -12.9054 -5.0184 -5.0184 -3.9403 -3.9403 0.9625 0.9625 1.2676 1.2676 3.5664 3.5664 5.1451 5.1451 5.8271 5.8271 6.4195 6.4195 7.2449 7.2449 7.4615 7.4615 8.8842 8.8842 10.4189 10.4189 10.9108 10.9108 10.9782 10.9782 k = 0.1643 0.4548-0.0000 ( 3765 PWs) bands (ev): -13.9979 -13.9979 -13.9939 -13.9939 -13.9653 -13.9653 -13.9520 -13.9520 -12.9720 -12.9720 -12.9675 -12.9675 -12.9471 -12.9471 -12.9271 -12.9271 -12.9211 -12.9211 -12.9054 -12.9054 -4.9807 -4.9807 -3.9562 -3.9562 0.8769 0.8769 1.2442 1.2442 3.6164 3.6164 5.2001 5.2001 5.8796 5.8796 6.4221 6.4221 7.2472 7.2472 7.5140 7.5140 8.8126 8.8126 10.3119 10.3119 10.8085 10.8085 10.8980 10.8980 k = 0.1709 0.4730-0.0000 ( 3765 PWs) bands (ev): -13.9978 -13.9978 -13.9939 -13.9939 -13.9652 -13.9652 -13.9519 -13.9519 -12.9721 -12.9721 -12.9674 -12.9674 -12.9470 -12.9470 -12.9269 -12.9269 -12.9212 -12.9212 -12.9055 -12.9055 -4.9422 -4.9422 -3.9736 -3.9736 0.7931 0.7931 1.2244 1.2244 3.6688 3.6688 5.2562 5.2562 5.9301 5.9301 6.4220 6.4220 7.2516 7.2516 7.5524 7.5524 8.7581 8.7581 10.2064 10.2064 10.6966 10.6966 10.8354 10.8354 k = 0.1775 0.4912-0.0000 ( 3757 PWs) bands (ev): -13.9977 -13.9977 -13.9939 -13.9939 -13.9651 -13.9651 -13.9518 -13.9518 -12.9721 -12.9721 -12.9672 -12.9672 -12.9469 -12.9469 -12.9266 -12.9266 -12.9213 -12.9213 -12.9055 -12.9055 -4.9032 -4.9032 -3.9926 -3.9926 0.7113 0.7113 1.2084 1.2084 3.7233 3.7233 5.3132 5.3132 5.9778 5.9778 6.4189 6.4189 7.2589 7.2589 7.5729 7.5729 8.7240 8.7240 10.1028 10.1028 10.5826 10.5826 10.7837 10.7837 k = 0.1840 0.5094-0.0000 ( 3761 PWs) bands (ev): -13.9977 -13.9977 -13.9939 -13.9939 -13.9651 -13.9651 -13.9517 -13.9517 -12.9721 -12.9721 -12.9671 -12.9671 -12.9468 -12.9468 -12.9264 -12.9264 -12.9214 -12.9214 -12.9055 -12.9055 -4.8638 -4.8638 -4.0131 -4.0131 0.6318 0.6318 1.1963 1.1963 3.7799 3.7799 5.3710 5.3710 6.0221 6.0221 6.4125 6.4125 7.2700 7.2700 7.5734 7.5734 8.7125 8.7125 10.0015 10.0015 10.4690 10.4690 10.7410 10.7410 k = 0.1906 0.5276-0.0000 ( 3761 PWs) bands (ev): -13.9976 -13.9976 -13.9939 -13.9939 -13.9650 -13.9650 -13.9517 -13.9517 -12.9721 -12.9721 -12.9670 -12.9670 -12.9467 -12.9467 -12.9262 -12.9262 -12.9214 -12.9214 -12.9055 -12.9055 -4.8240 -4.8240 -4.0351 -4.0351 0.5549 0.5549 1.1883 1.1883 3.8384 3.8384 5.4292 5.4292 6.0623 6.0623 6.4027 6.4027 7.2854 7.2854 7.5536 7.5536 8.7239 8.7239 9.9029 9.9029 10.3570 10.3570 10.7067 10.7067 k = 0.1972 0.5457-0.0000 ( 3765 PWs) bands (ev): -13.9975 -13.9975 -13.9940 -13.9940 -13.9650 -13.9650 -13.9516 -13.9516 -12.9722 -12.9722 -12.9669 -12.9669 -12.9465 -12.9465 -12.9261 -12.9261 -12.9215 -12.9215 -12.9055 -12.9055 -4.7841 -4.7841 -4.0586 -4.0586 0.4807 0.4807 1.1844 1.1844 3.8986 3.8986 5.4877 5.4877 6.0979 6.0979 6.3893 6.3893 7.3058 7.3058 7.5160 7.5160 8.7557 8.7557 9.8073 9.8073 10.2472 10.2472 10.6807 10.6807 k = 0.2038 0.5639-0.0000 ( 3773 PWs) bands (ev): -13.9974 -13.9974 -13.9940 -13.9940 -13.9649 -13.9649 -13.9515 -13.9515 -12.9722 -12.9722 -12.9668 -12.9668 -12.9464 -12.9464 -12.9259 -12.9259 -12.9216 -12.9216 -12.9055 -12.9055 -4.7442 -4.7442 -4.0837 -4.0837 0.4096 0.4096 1.1846 1.1846 3.9604 3.9604 5.5460 5.5460 6.1282 6.1282 6.3723 6.3723 7.3312 7.3312 7.4647 7.4647 8.8045 8.8045 9.7152 9.7152 10.1401 10.1401 10.6629 10.6629 k = 0.2103 0.5821-0.0000 ( 3775 PWs) bands (ev): -13.9974 -13.9974 -13.9940 -13.9940 -13.9649 -13.9649 -13.9515 -13.9515 -12.9722 -12.9722 -12.9667 -12.9667 -12.9463 -12.9463 -12.9258 -12.9258 -12.9216 -12.9216 -12.9055 -12.9055 -4.7044 -4.7044 -4.1102 -4.1102 0.3417 0.3417 1.1891 1.1891 4.0235 4.0235 5.6040 5.6040 6.1529 6.1529 6.3516 6.3516 7.3579 7.3579 7.4072 7.4072 8.8662 8.8662 9.6269 9.6269 10.0362 10.0362 10.6532 10.6532 k = 0.2169 0.6003-0.0000 ( 3779 PWs) bands (ev): -13.9973 -13.9973 -13.9940 -13.9940 -13.9649 -13.9649 -13.9514 -13.9514 -12.9722 -12.9722 -12.9666 -12.9666 -12.9462 -12.9462 -12.9257 -12.9257 -12.9217 -12.9217 -12.9056 -12.9056 -4.6649 -4.6649 -4.1380 -4.1380 0.2774 0.2774 1.1978 1.1978 4.0877 4.0877 5.6613 5.6613 6.1717 6.1717 6.3274 6.3274 7.3254 7.3254 7.4076 7.4076 8.9374 8.9374 9.5431 9.5431 9.9362 9.9362 10.6513 10.6513 k = 0.2235 0.6185-0.0000 ( 3775 PWs) bands (ev): -13.9972 -13.9972 -13.9941 -13.9941 -13.9648 -13.9648 -13.9514 -13.9514 -12.9722 -12.9722 -12.9666 -12.9666 -12.9461 -12.9461 -12.9256 -12.9256 -12.9218 -12.9218 -12.9056 -12.9056 -4.6259 -4.6259 -4.1672 -4.1672 0.2168 0.2168 1.2107 1.2107 4.1530 4.1530 5.7174 5.7174 6.1848 6.1848 6.2997 6.2997 7.2535 7.2535 7.4485 7.4485 9.0147 9.0147 9.4646 9.4646 9.8406 9.8406 10.6567 10.6567 k = 0.2301 0.6367-0.0000 ( 3775 PWs) bands (ev): -13.9972 -13.9972 -13.9941 -13.9941 -13.9648 -13.9648 -13.9513 -13.9513 -12.9722 -12.9722 -12.9665 -12.9665 -12.9459 -12.9459 -12.9256 -12.9256 -12.9218 -12.9218 -12.9056 -12.9056 -4.5875 -4.5875 -4.1976 -4.1976 0.1601 0.1601 1.2278 1.2278 4.2190 4.2190 5.7719 5.7719 6.1921 6.1921 6.2689 6.2689 7.1774 7.1774 7.4960 7.4960 9.0942 9.0942 9.3939 9.3939 9.7503 9.7503 10.6685 10.6685 k = 0.2366 0.6549-0.0000 ( 3771 PWs) bands (ev): -13.9971 -13.9971 -13.9941 -13.9941 -13.9648 -13.9648 -13.9513 -13.9513 -12.9722 -12.9722 -12.9665 -12.9665 -12.9458 -12.9458 -12.9255 -12.9255 -12.9219 -12.9219 -12.9056 -12.9056 -4.5500 -4.5500 -4.2292 -4.2292 0.1074 0.1074 1.2491 1.2491 4.2854 4.2854 5.8245 5.8245 6.1932 6.1932 6.2359 6.2359 7.1001 7.1001 7.5478 7.5478 9.1650 9.1650 9.3405 9.3405 9.6662 9.6662 10.6843 10.6843 k = 0.2432 0.6731-0.0000 ( 3775 PWs) bands (ev): -13.9970 -13.9970 -13.9942 -13.9942 -13.9648 -13.9648 -13.9512 -13.9512 -12.9722 -12.9722 -12.9665 -12.9665 -12.9457 -12.9457 -12.9255 -12.9255 -12.9220 -12.9220 -12.9056 -12.9056 -4.5135 -4.5135 -4.2618 -4.2618 0.0591 0.0591 1.2744 1.2744 4.3520 4.3520 5.8745 5.8745 6.1831 6.1831 6.2065 6.2065 7.0230 7.0230 7.6026 7.6026 9.1871 9.1871 9.3434 9.3434 9.5897 9.5897 10.6966 10.6966 k = 0.2498 0.6913-0.0000 ( 3775 PWs) bands (ev): -13.9970 -13.9970 -13.9942 -13.9942 -13.9648 -13.9648 -13.9512 -13.9512 -12.9723 -12.9723 -12.9665 -12.9665 -12.9456 -12.9456 -12.9255 -12.9255 -12.9220 -12.9220 -12.9056 -12.9056 -4.4782 -4.4782 -4.2953 -4.2953 0.0153 0.0153 1.3036 1.3036 4.4185 4.4185 5.9216 5.9216 6.1508 6.1508 6.1926 6.1926 6.9472 6.9472 7.6587 7.6587 9.1509 9.1509 9.4100 9.4100 9.5236 9.5236 10.6843 10.6843 k = 0.2563 0.7095-0.0000 ( 3771 PWs) bands (ev): -13.9969 -13.9969 -13.9943 -13.9943 -13.9648 -13.9648 -13.9512 -13.9512 -12.9722 -12.9722 -12.9665 -12.9665 -12.9455 -12.9455 -12.9256 -12.9256 -12.9221 -12.9221 -12.9056 -12.9056 -4.4442 -4.4442 -4.3297 -4.3297 -0.0239 -0.0239 1.3367 1.3367 4.4844 4.4844 5.9652 5.9652 6.1097 6.1097 6.1816 6.1816 6.8734 6.8734 7.7143 7.7143 9.1027 9.1027 9.4488 9.4488 9.5142 9.5142 10.6294 10.6294 k = 0.2629 0.7277-0.0000 ( 3767 PWs) bands (ev): -13.9969 -13.9969 -13.9943 -13.9943 -13.9648 -13.9648 -13.9511 -13.9511 -12.9722 -12.9722 -12.9665 -12.9665 -12.9454 -12.9454 -12.9256 -12.9256 -12.9221 -12.9221 -12.9056 -12.9056 -4.4118 -4.4118 -4.3648 -4.3648 -0.0584 -0.0584 1.3736 1.3736 4.5494 4.5494 6.0048 6.0048 6.0653 6.0653 6.1686 6.1686 6.8025 6.8025 7.7670 7.7670 9.0572 9.0572 9.4072 9.4072 9.6009 9.6009 10.5525 10.5525 k = 0.2695 0.7458-0.0000 ( 3771 PWs) bands (ev): -13.9969 -13.9969 -13.9944 -13.9944 -13.9648 -13.9648 -13.9511 -13.9511 -12.9722 -12.9722 -12.9665 -12.9665 -12.9453 -12.9453 -12.9257 -12.9257 -12.9221 -12.9221 -12.9057 -12.9057 -4.4005 -4.4005 -4.3810 -4.3810 -0.0879 -0.0879 1.4141 1.4141 4.6128 4.6128 6.0188 6.0188 6.0399 6.0399 6.1535 6.1535 6.7351 6.7351 7.8143 7.8143 9.0187 9.0187 9.3715 9.3715 9.6945 9.6945 10.4711 10.4711 k = 0.2761 0.7640-0.0000 ( 3773 PWs) bands (ev): -13.9968 -13.9968 -13.9944 -13.9944 -13.9649 -13.9649 -13.9511 -13.9511 -12.9722 -12.9722 -12.9666 -12.9666 -12.9452 -12.9452 -12.9257 -12.9257 -12.9222 -12.9222 -12.9057 -12.9057 -4.4367 -4.4367 -4.3520 -4.3520 -0.1125 -0.1125 1.4581 1.4581 4.6740 4.6740 5.9707 5.9707 6.0697 6.0697 6.1370 6.1370 6.6719 6.6719 7.8531 7.8531 8.9901 8.9901 9.3478 9.3478 9.7865 9.7865 10.3927 10.3927 k = 0.2826 0.7822-0.0000 ( 3769 PWs) bands (ev): -13.9968 -13.9968 -13.9945 -13.9945 -13.9649 -13.9649 -13.9511 -13.9511 -12.9722 -12.9722 -12.9667 -12.9667 -12.9451 -12.9451 -12.9258 -12.9258 -12.9222 -12.9222 -12.9057 -12.9057 -4.4732 -4.4732 -4.3250 -4.3250 -0.1320 -0.1320 1.5053 1.5053 4.7325 4.7325 5.9214 5.9214 6.0922 6.0922 6.1210 6.1210 6.6138 6.6138 7.8804 7.8804 8.9738 8.9738 9.3375 9.3375 9.8709 9.8709 10.3242 10.3242 k = 0.2826 0.7822-0.0000 ( 3769 PWs) bands (ev): -13.9968 -13.9968 -13.9945 -13.9945 -13.9649 -13.9649 -13.9511 -13.9511 -12.9722 -12.9722 -12.9667 -12.9667 -12.9451 -12.9451 -12.9258 -12.9258 -12.9222 -12.9222 -12.9057 -12.9057 -4.4732 -4.4732 -4.3250 -4.3250 -0.1320 -0.1320 1.5053 1.5053 4.7325 4.7325 5.9214 5.9214 6.0922 6.0922 6.1210 6.1210 6.6138 6.6138 7.8804 7.8804 8.9738 8.9738 9.3375 9.3375 9.8709 9.8709 10.3242 10.3242 k = 0.2638 0.7822-0.0000 ( 3769 PWs) bands (ev): -13.9968 -13.9968 -13.9945 -13.9945 -13.9649 -13.9649 -13.9511 -13.9511 -12.9722 -12.9722 -12.9666 -12.9666 -12.9451 -12.9451 -12.9258 -12.9258 -12.9222 -12.9222 -12.9057 -12.9057 -4.4623 -4.4623 -4.3325 -4.3325 -0.1250 -0.1250 1.4877 1.4877 4.7173 4.7173 5.9363 5.9363 6.0859 6.0859 6.1144 6.1144 6.6412 6.6412 7.8715 7.8715 8.9775 8.9775 9.3386 9.3386 9.8497 9.8497 10.3477 10.3477 k = 0.2450 0.7822-0.0000 ( 3773 PWs) bands (ev): -13.9968 -13.9968 -13.9945 -13.9945 -13.9649 -13.9649 -13.9511 -13.9511 -12.9722 -12.9722 -12.9666 -12.9666 -12.9452 -12.9452 -12.9258 -12.9258 -12.9221 -12.9221 -12.9057 -12.9057 -4.4541 -4.4541 -4.3377 -4.3377 -0.1151 -0.1151 1.4672 1.4672 4.7093 4.7093 5.9475 5.9475 6.0740 6.0740 6.0941 6.0941 6.6829 6.6829 7.8590 7.8590 8.9822 8.9822 9.3395 9.3395 9.8350 9.8350 10.3799 10.3799 k = 0.2261 0.7822-0.0000 ( 3774 PWs) bands (ev): -13.9968 -13.9968 -13.9944 -13.9944 -13.9649 -13.9649 -13.9511 -13.9511 -12.9722 -12.9722 -12.9666 -12.9666 -12.9452 -12.9452 -12.9258 -12.9258 -12.9220 -12.9220 -12.9058 -12.9058 -4.4489 -4.4489 -4.3401 -4.3401 -0.1028 -0.1028 1.4441 1.4441 4.7086 4.7086 5.9545 5.9545 6.0366 6.0366 6.0867 6.0867 6.7324 6.7324 7.8443 7.8443 8.9878 8.9878 9.3407 9.3407 9.8226 9.8226 10.4231 10.4231 k = 0.2073 0.7822-0.0000 ( 3772 PWs) bands (ev): -13.9969 -13.9969 -13.9944 -13.9944 -13.9649 -13.9649 -13.9511 -13.9511 -12.9722 -12.9722 -12.9666 -12.9666 -12.9453 -12.9453 -12.9258 -12.9258 -12.9219 -12.9219 -12.9058 -12.9058 -4.4467 -4.4467 -4.3397 -4.3397 -0.0883 -0.0883 1.4187 1.4187 4.7153 4.7153 5.9539 5.9539 5.9877 5.9877 6.0871 6.0871 6.7847 6.7847 7.8281 7.8281 8.9947 8.9947 9.3430 9.3430 9.8086 9.8086 10.4779 10.4779 k = 0.1884 0.7822-0.0000 ( 3772 PWs) bands (ev): -13.9969 -13.9969 -13.9944 -13.9944 -13.9648 -13.9648 -13.9511 -13.9511 -12.9721 -12.9721 -12.9666 -12.9666 -12.9454 -12.9454 -12.9258 -12.9258 -12.9218 -12.9218 -12.9058 -12.9058 -4.4470 -4.4470 -4.3372 -4.3372 -0.0721 -0.0721 1.3916 1.3916 4.7291 4.7291 5.9140 5.9140 5.9671 5.9671 6.0903 6.0903 6.8363 6.8363 7.8115 7.8115 9.0032 9.0032 9.3471 9.3471 9.7905 9.7905 10.5438 10.5438 k = 0.1696 0.7822-0.0000 ( 3770 PWs) bands (ev): -13.9969 -13.9969 -13.9943 -13.9943 -13.9648 -13.9648 -13.9511 -13.9511 -12.9721 -12.9721 -12.9666 -12.9666 -12.9455 -12.9455 -12.9259 -12.9259 -12.9216 -12.9216 -12.9058 -12.9058 -4.4492 -4.4492 -4.3331 -4.3331 -0.0544 -0.0544 1.3633 1.3633 4.7500 4.7500 5.8492 5.8492 5.9640 5.9640 6.0951 6.0951 6.8853 6.8853 7.7950 7.7950 9.0141 9.0141 9.3533 9.3533 9.7675 9.7675 10.6184 10.6184 k = 0.1507 0.7822-0.0000 ( 3771 PWs) bands (ev): -13.9969 -13.9969 -13.9943 -13.9943 -13.9648 -13.9648 -13.9512 -13.9512 -12.9721 -12.9721 -12.9667 -12.9667 -12.9456 -12.9456 -12.9259 -12.9259 -12.9214 -12.9214 -12.9059 -12.9059 -4.4524 -4.4524 -4.3281 -4.3281 -0.0359 -0.0359 1.3345 1.3345 4.7776 4.7776 5.7792 5.7792 5.9612 5.9612 6.1007 6.1007 6.9304 6.9304 7.7793 7.7793 9.0279 9.0279 9.3613 9.3613 9.7395 9.7395 10.6974 10.6974 k = 0.1319 0.7822-0.0000 ( 3777 PWs) bands (ev): -13.9969 -13.9969 -13.9943 -13.9943 -13.9648 -13.9648 -13.9512 -13.9512 -12.9720 -12.9720 -12.9667 -12.9667 -12.9457 -12.9457 -12.9259 -12.9259 -12.9213 -12.9213 -12.9059 -12.9059 -4.4561 -4.4561 -4.3230 -4.3230 -0.0171 -0.0171 1.3060 1.3060 4.8115 4.8115 5.7066 5.7066 5.9581 5.9581 6.1064 6.1064 6.9708 6.9708 7.7646 7.7646 9.0448 9.0448 9.3707 9.3707 9.7075 9.7075 10.7699 10.7699 k = 0.1131 0.7822-0.0000 ( 3771 PWs) bands (ev): -13.9970 -13.9970 -13.9943 -13.9943 -13.9648 -13.9648 -13.9512 -13.9512 -12.9720 -12.9720 -12.9667 -12.9667 -12.9458 -12.9458 -12.9259 -12.9259 -12.9211 -12.9211 -12.9060 -12.9060 -4.4599 -4.4599 -4.3180 -4.3180 0.0014 0.0014 1.2786 1.2786 4.8515 4.8515 5.6323 5.6323 5.9548 5.9548 6.1119 6.1119 7.0060 7.0060 7.7514 7.7514 9.0650 9.0650 9.3805 9.3805 9.6728 9.6728 10.7974 10.7974 k = 0.0942 0.7822-0.0000 ( 3769 PWs) bands (ev): -13.9970 -13.9970 -13.9942 -13.9942 -13.9648 -13.9648 -13.9512 -13.9512 -12.9720 -12.9720 -12.9667 -12.9667 -12.9459 -12.9459 -12.9260 -12.9260 -12.9210 -12.9210 -12.9060 -12.9060 -4.4634 -4.4634 -4.3135 -4.3135 0.0188 0.0188 1.2532 1.2532 4.8971 4.8971 5.5573 5.5573 5.9517 5.9517 6.1168 6.1168 7.0359 7.0359 7.7400 7.7400 9.0881 9.0881 9.3896 9.3896 9.6371 9.6371 10.7839 10.7839 k = 0.0754 0.7822-0.0000 ( 3771 PWs) bands (ev): -13.9970 -13.9970 -13.9942 -13.9942 -13.9648 -13.9648 -13.9512 -13.9512 -12.9719 -12.9719 -12.9667 -12.9667 -12.9459 -12.9459 -12.9260 -12.9260 -12.9208 -12.9208 -12.9060 -12.9060 -4.4665 -4.4665 -4.3096 -4.3096 0.0344 0.0344 1.2307 1.2307 4.9478 4.9478 5.4822 5.4822 5.9489 5.9489 6.1209 6.1209 7.0602 7.0602 7.7304 7.7304 9.1134 9.1134 9.3966 9.3966 9.6026 9.6026 10.7645 10.7645 k = 0.0565 0.7822-0.0000 ( 3761 PWs) bands (ev): -13.9970 -13.9970 -13.9942 -13.9942 -13.9648 -13.9648 -13.9512 -13.9512 -12.9719 -12.9719 -12.9668 -12.9668 -12.9460 -12.9460 -12.9260 -12.9260 -12.9207 -12.9207 -12.9061 -12.9061 -4.4690 -4.4690 -4.3065 -4.3065 0.0475 0.0475 1.2121 1.2121 5.0033 5.0033 5.4077 5.4077 5.9467 5.9467 6.1242 6.1242 7.0791 7.0791 7.7228 7.7228 9.1392 9.1392 9.4000 9.4000 9.5721 9.5721 10.7470 10.7470 k = 0.0377 0.7822-0.0000 ( 3756 PWs) bands (ev): -13.9970 -13.9970 -13.9942 -13.9942 -13.9648 -13.9648 -13.9512 -13.9512 -12.9719 -12.9719 -12.9668 -12.9668 -12.9460 -12.9460 -12.9260 -12.9260 -12.9207 -12.9207 -12.9061 -12.9061 -4.4708 -4.4708 -4.3042 -4.3042 0.0575 0.0575 1.1982 1.1982 5.0629 5.0629 5.3343 5.3343 5.9450 5.9450 6.1266 6.1266 7.0925 7.0925 7.7173 7.7173 9.1630 9.1630 9.3991 9.3991 9.5487 9.5487 10.7336 10.7336 k = 0.0188 0.7822-0.0000 ( 3752 PWs) bands (ev): -13.9970 -13.9970 -13.9942 -13.9942 -13.9648 -13.9648 -13.9512 -13.9512 -12.9719 -12.9719 -12.9668 -12.9668 -12.9460 -12.9460 -12.9260 -12.9260 -12.9206 -12.9206 -12.9061 -12.9061 -4.4719 -4.4719 -4.3028 -4.3028 0.0637 0.0637 1.1895 1.1895 5.1262 5.1262 5.2628 5.2628 5.9439 5.9439 6.1280 6.1280 7.1005 7.1005 7.7140 7.7140 9.1806 9.1806 9.3954 9.3954 9.5346 9.5346 10.7251 10.7251 k = 0.0000 0.7822-0.0000 ( 3762 PWs) bands (ev): -13.9970 -13.9970 -13.9942 -13.9942 -13.9648 -13.9648 -13.9512 -13.9512 -12.9719 -12.9719 -12.9668 -12.9668 -12.9461 -12.9461 -12.9260 -12.9260 -12.9206 -12.9206 -12.9061 -12.9061 -4.4723 -4.4723 -4.3024 -4.3024 0.0658 0.0658 1.1866 1.1866 5.1877 5.1877 5.1986 5.1986 5.9436 5.9436 6.1285 6.1285 7.1032 7.1032 7.7129 7.7129 9.1873 9.1873 9.3932 9.3932 9.5300 9.5300 10.7223 10.7223 k = 0.0000 0.7822-0.0000 ( 3762 PWs) bands (ev): -13.9970 -13.9970 -13.9942 -13.9942 -13.9648 -13.9648 -13.9512 -13.9512 -12.9719 -12.9719 -12.9668 -12.9668 -12.9461 -12.9461 -12.9260 -12.9260 -12.9206 -12.9206 -12.9061 -12.9061 -4.4723 -4.4723 -4.3024 -4.3024 0.0658 0.0658 1.1866 1.1866 5.1877 5.1877 5.1986 5.1986 5.9436 5.9436 6.1285 6.1285 7.1032 7.1032 7.7129 7.7129 9.1873 9.1873 9.3932 9.3932 9.5300 9.5300 10.7223 10.7223 k = 0.0000 0.7822 0.0192 ( 3762 PWs) bands (ev): -13.9970 -13.9970 -13.9942 -13.9942 -13.9648 -13.9648 -13.9512 -13.9512 -12.9719 -12.9719 -12.9668 -12.9668 -12.9461 -12.9461 -12.9260 -12.9260 -12.9206 -12.9206 -12.9061 -12.9061 -4.4717 -4.4717 -4.3019 -4.3019 0.0671 0.0671 1.1877 1.1877 5.1875 5.1875 5.1948 5.1948 5.9323 5.9323 6.1257 6.1257 7.1064 7.1064 7.7004 7.7004 9.1807 9.1807 9.3906 9.3906 9.5644 9.5644 10.7085 10.7085 k = 0.0000 0.7822 0.0385 ( 3760 PWs) bands (ev): -13.9970 -13.9970 -13.9942 -13.9942 -13.9648 -13.9648 -13.9512 -13.9512 -12.9719 -12.9719 -12.9668 -12.9668 -12.9461 -12.9461 -12.9260 -12.9260 -12.9206 -12.9206 -12.9061 -12.9061 -4.4701 -4.4701 -4.3006 -4.3006 0.0711 0.0711 1.1913 1.1913 5.1800 5.1800 5.1902 5.1902 5.8994 5.8994 6.1176 6.1176 7.1150 7.1150 7.6635 7.6635 9.1698 9.1698 9.3926 9.3926 9.6482 9.6482 10.6733 10.6733 k = 0.0000 0.7822 0.0577 ( 3762 PWs) bands (ev): -13.9970 -13.9970 -13.9942 -13.9942 -13.9647 -13.9647 -13.9512 -13.9512 -12.9719 -12.9719 -12.9668 -12.9668 -12.9460 -12.9460 -12.9260 -12.9260 -12.9206 -12.9206 -12.9062 -12.9062 -4.4673 -4.4673 -4.2984 -4.2984 0.0777 0.0777 1.1972 1.1972 5.1592 5.1592 5.1909 5.1909 5.8476 5.8476 6.1050 6.1050 7.1261 7.1261 7.6033 7.6033 9.1691 9.1691 9.4053 9.4053 9.7591 9.7591 10.6280 10.6280 k = 0.0000 0.7822 0.0769 ( 3762 PWs) bands (ev): -13.9970 -13.9970 -13.9942 -13.9942 -13.9647 -13.9647 -13.9512 -13.9512 -12.9720 -12.9720 -12.9668 -12.9668 -12.9460 -12.9460 -12.9260 -12.9260 -12.9206 -12.9206 -12.9062 -12.9062 -4.4635 -4.4635 -4.2954 -4.2954 0.0869 0.0869 1.2054 1.2054 5.1291 5.1291 5.1923 5.1923 5.7802 5.7802 6.0893 6.0893 7.1360 7.1360 7.5223 7.5223 9.1867 9.1867 9.4285 9.4285 9.8861 9.8861 10.5811 10.5811 k = 0.0000 0.7822 0.0961 ( 3766 PWs) bands (ev): -13.9971 -13.9971 -13.9943 -13.9943 -13.9646 -13.9646 -13.9513 -13.9513 -12.9720 -12.9720 -12.9668 -12.9668 -12.9460 -12.9460 -12.9260 -12.9260 -12.9206 -12.9206 -12.9062 -12.9062 -4.4586 -4.4586 -4.2915 -4.2915 0.0988 0.0988 1.2159 1.2159 5.0900 5.0900 5.1941 5.1941 5.7007 5.7007 6.0720 6.0720 7.1410 7.1410 7.4239 7.4239 9.2249 9.2249 9.4620 9.4620 10.0227 10.0227 10.5373 10.5373 k = 0.0000 0.7822 0.1154 ( 3770 PWs) bands (ev): -13.9971 -13.9971 -13.9943 -13.9943 -13.9646 -13.9646 -13.9513 -13.9513 -12.9720 -12.9720 -12.9668 -12.9668 -12.9460 -12.9460 -12.9260 -12.9260 -12.9205 -12.9205 -12.9063 -12.9063 -4.4527 -4.4527 -4.2868 -4.2868 0.1133 0.1133 1.2288 1.2288 5.0420 5.0420 5.1960 5.1960 5.6121 5.6121 6.0546 6.0546 7.1376 7.1376 7.3122 7.3122 9.2822 9.2822 9.5059 9.5059 10.1641 10.1641 10.5002 10.5002 k = 0.0000 0.7822 0.1346 ( 3776 PWs) bands (ev): -13.9971 -13.9971 -13.9943 -13.9943 -13.9645 -13.9645 -13.9513 -13.9513 -12.9721 -12.9721 -12.9669 -12.9669 -12.9460 -12.9460 -12.9260 -12.9260 -12.9205 -12.9205 -12.9063 -12.9063 -4.4457 -4.4457 -4.2814 -4.2814 0.1304 0.1304 1.2439 1.2439 4.9855 4.9855 5.1975 5.1975 5.5172 5.5172 6.0383 6.0383 7.1204 7.1204 7.1940 7.1940 9.3563 9.3563 9.5601 9.5601 10.3028 10.3028 10.4756 10.4756 k = 0.0000 0.7822 0.1538 ( 3778 PWs) bands (ev): -13.9971 -13.9971 -13.9944 -13.9944 -13.9644 -13.9644 -13.9514 -13.9514 -12.9721 -12.9721 -12.9669 -12.9669 -12.9460 -12.9460 -12.9260 -12.9260 -12.9204 -12.9204 -12.9064 -12.9064 -4.4378 -4.4378 -4.2752 -4.2752 0.1501 0.1501 1.2613 1.2613 4.9210 4.9210 5.1981 5.1981 5.4183 5.4183 6.0241 6.0241 7.0443 7.0443 7.1166 7.1166 9.4441 9.4441 9.6240 9.6240 10.3961 10.3961 10.5047 10.5047 k = 0.0000 0.7822 0.1730 ( 3776 PWs) bands (ev): -13.9971 -13.9971 -13.9944 -13.9944 -13.9642 -13.9642 -13.9515 -13.9515 -12.9722 -12.9722 -12.9669 -12.9669 -12.9460 -12.9460 -12.9260 -12.9260 -12.9203 -12.9203 -12.9064 -12.9064 -4.4289 -4.4289 -4.2682 -4.2682 0.1724 0.1724 1.2809 1.2809 4.8493 4.8493 5.1949 5.1949 5.3196 5.3196 6.0125 6.0125 6.9132 6.9132 7.0783 7.0783 9.5428 9.5428 9.6965 9.6965 10.4026 10.4026 10.6278 10.6278 k = 0.0000 0.7822 0.1923 ( 3774 PWs) bands (ev): -13.9971 -13.9971 -13.9944 -13.9944 -13.9641 -13.9641 -13.9515 -13.9515 -12.9722 -12.9722 -12.9670 -12.9670 -12.9459 -12.9459 -12.9261 -12.9261 -12.9202 -12.9202 -12.9065 -12.9065 -4.4191 -4.4191 -4.2606 -4.2606 0.1973 0.1973 1.3027 1.3027 4.7714 4.7714 5.1694 5.1694 5.2406 5.2406 6.0036 6.0036 6.7744 6.7744 7.0345 7.0345 9.6491 9.6491 9.7761 9.7761 10.3998 10.3998 10.7668 10.7668 k = 0.0000 0.7822 0.2115 ( 3770 PWs) bands (ev): -13.9971 -13.9971 -13.9945 -13.9945 -13.9640 -13.9640 -13.9516 -13.9516 -12.9723 -12.9723 -12.9670 -12.9670 -12.9459 -12.9459 -12.9262 -12.9262 -12.9200 -12.9200 -12.9065 -12.9065 -4.4085 -4.4085 -4.2524 -4.2524 0.2248 0.2248 1.3267 1.3267 4.6882 4.6882 5.0853 5.0853 5.2184 5.2184 5.9975 5.9975 6.6330 6.6330 6.9828 6.9828 9.7587 9.7587 9.8616 9.8616 10.4059 10.4059 10.9032 10.9032 k = 0.0000 0.7822 0.2307 ( 3766 PWs) bands (ev): -13.9972 -13.9972 -13.9946 -13.9946 -13.9638 -13.9638 -13.9517 -13.9517 -12.9724 -12.9724 -12.9671 -12.9671 -12.9458 -12.9458 -12.9264 -12.9264 -12.9198 -12.9198 -12.9066 -12.9066 -4.3970 -4.3970 -4.2437 -4.2437 0.2548 0.2548 1.3527 1.3527 4.6007 4.6007 4.9829 4.9829 5.2131 5.2131 5.9939 5.9939 6.4906 6.4906 6.9243 6.9243 9.8628 9.8628 9.9550 9.9550 10.4261 10.4261 11.0326 11.0326 k = 0.0000 0.7822 0.2499 ( 3768 PWs) bands (ev): -13.9972 -13.9972 -13.9946 -13.9946 -13.9637 -13.9637 -13.9518 -13.9518 -12.9724 -12.9724 -12.9671 -12.9671 -12.9458 -12.9458 -12.9266 -12.9266 -12.9195 -12.9195 -12.9066 -12.9066 -4.3848 -4.3848 -4.2344 -4.2344 0.2873 0.2873 1.3808 1.3808 4.5099 4.5099 4.8781 4.8781 5.2089 5.2089 5.9924 5.9924 6.3487 6.3487 6.8606 6.8606 9.9478 9.9478 10.0629 10.0629 10.4648 10.4648 11.1515 11.1515 k = 0.0000 0.7822 0.2692 ( 3768 PWs) bands (ev): -13.9972 -13.9972 -13.9947 -13.9947 -13.9635 -13.9635 -13.9518 -13.9518 -12.9725 -12.9725 -12.9672 -12.9672 -12.9457 -12.9457 -12.9269 -12.9269 -12.9193 -12.9193 -12.9066 -12.9066 -4.3720 -4.3720 -4.2247 -4.2247 0.3224 0.3224 1.4108 1.4108 4.4166 4.4166 4.7734 4.7734 5.2032 5.2032 5.9920 5.9920 6.2087 6.2087 6.7934 6.7934 10.0090 10.0090 10.1844 10.1844 10.5247 10.5247 11.2568 11.2568 k = 0.0000 0.7822 0.2884 ( 3772 PWs) bands (ev): -13.9972 -13.9972 -13.9948 -13.9948 -13.9633 -13.9633 -13.9520 -13.9520 -12.9725 -12.9725 -12.9673 -12.9673 -12.9456 -12.9456 -12.9272 -12.9272 -12.9189 -12.9189 -12.9067 -12.9067 -4.3585 -4.3585 -4.2147 -4.2147 0.3599 0.3599 1.4427 1.4427 4.3216 4.3216 4.6699 4.6699 5.1951 5.1951 5.9870 5.9870 6.0768 6.0768 6.7244 6.7244 10.0511 10.0511 10.3130 10.3130 10.6047 10.6047 11.3454 11.3454 k = 0.0000 0.7822 0.3076 ( 3768 PWs) bands (ev): -13.9973 -13.9973 -13.9949 -13.9949 -13.9631 -13.9631 -13.9521 -13.9521 -12.9726 -12.9726 -12.9674 -12.9674 -12.9455 -12.9455 -12.9275 -12.9275 -12.9186 -12.9186 -12.9067 -12.9067 -4.3444 -4.3444 -4.2043 -4.2043 0.3999 0.3999 1.4763 1.4763 4.2256 4.2256 4.5681 4.5681 5.1836 5.1836 5.9141 5.9141 6.0166 6.0166 6.6553 6.6553 10.0797 10.0797 10.4448 10.4448 10.7005 10.7005 11.4148 11.4148 k = 0.0000 0.7822 0.3268 ( 3772 PWs) bands (ev): -13.9973 -13.9973 -13.9949 -13.9949 -13.9629 -13.9629 -13.9522 -13.9522 -12.9726 -12.9726 -12.9675 -12.9675 -12.9454 -12.9454 -12.9279 -12.9279 -12.9182 -12.9182 -12.9068 -12.9068 -4.3299 -4.3299 -4.1938 -4.1938 0.4423 0.4423 1.5116 1.5116 4.1292 4.1292 4.4684 4.4684 5.1680 5.1680 5.7850 5.7850 6.0166 6.0166 6.5878 6.5878 10.0997 10.0997 10.5773 10.5773 10.8066 10.8066 11.4639 11.4639 k = 0.0000 0.7822 0.3461 ( 3768 PWs) bands (ev): -13.9973 -13.9973 -13.9950 -13.9950 -13.9626 -13.9626 -13.9523 -13.9523 -12.9726 -12.9726 -12.9676 -12.9676 -12.9453 -12.9453 -12.9283 -12.9283 -12.9178 -12.9178 -12.9068 -12.9068 -4.3150 -4.3150 -4.1831 -4.1831 0.4871 0.4871 1.5483 1.5483 4.0329 4.0329 4.3711 4.3711 5.1475 5.1475 5.6541 5.6541 6.0227 6.0227 6.5233 6.5233 10.1145 10.1145 10.7087 10.7087 10.9187 10.9187 11.4934 11.4934 k = 0.0000 0.7822 0.3653 ( 3766 PWs) bands (ev): -13.9973 -13.9973 -13.9951 -13.9951 -13.9624 -13.9624 -13.9525 -13.9525 -12.9727 -12.9727 -12.9678 -12.9678 -12.9451 -12.9451 -12.9288 -12.9288 -12.9174 -12.9174 -12.9068 -12.9068 -4.2998 -4.2998 -4.1723 -4.1723 0.5342 0.5342 1.5863 1.5863 3.9373 3.9373 4.2765 4.2765 5.1215 5.1215 5.5257 5.5257 6.0307 6.0307 6.4632 6.4632 10.1263 10.1263 10.8370 10.8370 11.0327 11.0327 11.5065 11.5065 k = 0.0000 0.7822 0.3845 ( 3762 PWs) bands (ev): -13.9973 -13.9973 -13.9952 -13.9952 -13.9622 -13.9622 -13.9526 -13.9526 -12.9727 -12.9727 -12.9679 -12.9679 -12.9450 -12.9450 -12.9292 -12.9292 -12.9170 -12.9170 -12.9069 -12.9069 -4.2844 -4.2844 -4.1616 -4.1616 0.5836 0.5836 1.6254 1.6254 3.8428 3.8428 4.1849 4.1849 5.0895 5.0895 5.4010 5.4010 6.0399 6.0399 6.4085 6.4085 10.1365 10.1365 10.9589 10.9589 11.1453 11.1453 11.5092 11.5092 k = 0.0000 0.7822 0.4037 ( 3766 PWs) bands (ev): -13.9973 -13.9973 -13.9953 -13.9953 -13.9619 -13.9619 -13.9528 -13.9528 -12.9727 -12.9727 -12.9681 -12.9681 -12.9448 -12.9448 -12.9297 -12.9297 -12.9165 -12.9165 -12.9069 -12.9069 -4.2688 -4.2688 -4.1510 -4.1510 0.6353 0.6353 1.6653 1.6653 3.7497 3.7497 4.0962 4.0962 5.0512 5.0512 5.2806 5.2806 6.0498 6.0498 6.3601 6.3601 10.1461 10.1461 11.0682 11.0682 11.2529 11.2529 11.5118 11.5118 k = 0.0000 0.7822 0.4230 ( 3764 PWs) bands (ev): -13.9974 -13.9974 -13.9954 -13.9954 -13.9616 -13.9616 -13.9529 -13.9529 -12.9727 -12.9727 -12.9682 -12.9682 -12.9446 -12.9446 -12.9303 -12.9303 -12.9161 -12.9161 -12.9070 -12.9070 -4.2532 -4.2532 -4.1407 -4.1407 0.6891 0.6891 1.7056 1.7056 3.6586 3.6586 4.0108 4.0108 5.0063 5.0063 5.1652 5.1652 6.0603 6.0603 6.3184 6.3184 10.1556 10.1556 11.1512 11.1512 11.3526 11.3526 11.5318 11.5318 k = 0.0000 0.7822 0.4422 ( 3762 PWs) bands (ev): -13.9974 -13.9974 -13.9955 -13.9955 -13.9614 -13.9614 -13.9531 -13.9531 -12.9727 -12.9727 -12.9684 -12.9684 -12.9444 -12.9444 -12.9308 -12.9308 -12.9156 -12.9156 -12.9070 -12.9070 -4.2376 -4.2376 -4.1306 -4.1306 0.7451 0.7451 1.7459 1.7459 3.5699 3.5699 3.9287 3.9287 4.9545 4.9545 5.0559 5.0559 6.0710 6.0710 6.2835 6.2835 10.1654 10.1654 11.1894 11.1894 11.4480 11.4480 11.5846 11.5846 k = 0.0000 0.7822 0.4614 ( 3762 PWs) bands (ev): -13.9974 -13.9974 -13.9956 -13.9956 -13.9611 -13.9611 -13.9533 -13.9533 -12.9727 -12.9727 -12.9686 -12.9686 -12.9442 -12.9442 -12.9313 -12.9313 -12.9151 -12.9151 -12.9071 -12.9071 -4.2222 -4.2222 -4.1209 -4.1209 0.8031 0.8031 1.7857 1.7857 3.4842 3.4842 3.8500 3.8500 4.8945 4.8945 4.9552 4.9552 6.0819 6.0819 6.2550 6.2550 10.1758 10.1758 11.1837 11.1837 11.5465 11.5465 11.6624 11.6624 k = 0.0000 0.7822 0.4806 ( 3762 PWs) bands (ev): -13.9974 -13.9974 -13.9957 -13.9957 -13.9608 -13.9608 -13.9535 -13.9535 -12.9726 -12.9726 -12.9687 -12.9687 -12.9439 -12.9439 -12.9319 -12.9319 -12.9147 -12.9147 -12.9072 -12.9072 -4.2070 -4.2070 -4.1118 -4.1118 0.8630 0.8630 1.8244 1.8244 3.4019 3.4019 3.7748 3.7748 4.8216 4.8216 4.8690 4.8690 6.0928 6.0928 6.2326 6.2326 10.1871 10.1871 11.1517 11.1517 11.6473 11.6473 11.7487 11.7487 k = 0.0000 0.7822 0.4999 ( 3758 PWs) bands (ev): -13.9974 -13.9974 -13.9958 -13.9958 -13.9605 -13.9605 -13.9537 -13.9537 -12.9726 -12.9726 -12.9689 -12.9689 -12.9436 -12.9436 -12.9325 -12.9325 -12.9142 -12.9142 -12.9072 -12.9072 -4.1921 -4.1921 -4.1032 -4.1032 0.9247 0.9247 1.8610 1.8610 3.3240 3.3240 3.7029 3.7029 4.7375 4.7375 4.7970 4.7970 6.1035 6.1035 6.2156 6.2156 10.1994 10.1994 11.1064 11.1064 11.7464 11.7464 11.8344 11.8344 k = 0.0000 0.7822 0.5191 ( 3760 PWs) bands (ev): -13.9974 -13.9974 -13.9959 -13.9959 -13.9602 -13.9602 -13.9539 -13.9539 -12.9726 -12.9726 -12.9691 -12.9691 -12.9434 -12.9434 -12.9330 -12.9330 -12.9137 -12.9137 -12.9073 -12.9073 -4.1777 -4.1777 -4.0952 -4.0952 0.9882 0.9882 1.8946 1.8946 3.2512 3.2512 3.6344 3.6344 4.6534 4.6534 4.7299 4.7299 6.1140 6.1140 6.2031 6.2031 10.2129 10.2129 11.0545 11.0545 11.8409 11.8409 11.9160 11.9160 k = 0.0000 0.7822 0.5383 ( 3758 PWs) bands (ev): -13.9974 -13.9974 -13.9960 -13.9960 -13.9599 -13.9599 -13.9541 -13.9541 -12.9725 -12.9725 -12.9693 -12.9693 -12.9431 -12.9431 -12.9336 -12.9336 -12.9133 -12.9133 -12.9074 -12.9074 -4.1638 -4.1638 -4.0880 -4.0880 1.0532 1.0532 1.9239 1.9239 3.1848 3.1848 3.5692 3.5692 4.5741 4.5741 4.6640 4.6640 6.1240 6.1240 6.1943 6.1943 10.2279 10.2279 10.9993 10.9993 11.9290 11.9290 11.9917 11.9917 k = 0.0000 0.7822 0.5575 ( 3750 PWs) bands (ev): -13.9973 -13.9973 -13.9961 -13.9961 -13.9596 -13.9596 -13.9544 -13.9544 -12.9724 -12.9724 -12.9695 -12.9695 -12.9427 -12.9427 -12.9342 -12.9342 -12.9128 -12.9128 -12.9075 -12.9075 -4.1505 -4.1505 -4.0816 -4.0816 1.1196 1.1196 1.9472 1.9472 3.1260 3.1260 3.5072 3.5072 4.5015 4.5015 4.5994 4.5994 6.1334 6.1334 6.1886 6.1886 10.2445 10.2445 10.9427 10.9427 12.0098 12.0098 12.0608 12.0608 k = 0.0000 0.7822 0.5768 ( 3756 PWs) bands (ev): -13.9973 -13.9973 -13.9962 -13.9962 -13.9593 -13.9593 -13.9546 -13.9546 -12.9723 -12.9723 -12.9697 -12.9697 -12.9424 -12.9424 -12.9348 -12.9348 -12.9124 -12.9124 -12.9077 -12.9077 -4.1379 -4.1379 -4.0762 -4.0762 1.1872 1.1872 1.9631 1.9631 3.0764 3.0764 3.4483 3.4483 4.4361 4.4361 4.5368 4.5368 6.1422 6.1422 6.1852 6.1852 10.2628 10.2628 10.8859 10.8859 12.0822 12.0822 12.1231 12.1231 k = 0.0000 0.7822 0.5960 ( 3766 PWs) bands (ev): -13.9973 -13.9973 -13.9963 -13.9963 -13.9590 -13.9590 -13.9549 -13.9549 -12.9722 -12.9722 -12.9699 -12.9699 -12.9420 -12.9420 -12.9353 -12.9353 -12.9119 -12.9119 -12.9078 -12.9078 -4.1261 -4.1261 -4.0716 -4.0716 1.2558 1.2558 1.9697 1.9697 3.0374 3.0374 3.3923 3.3923 4.3786 4.3786 4.4772 4.4772 6.1503 6.1503 6.1836 6.1836 10.2832 10.2832 10.8298 10.8298 12.1459 12.1459 12.1784 12.1784 k = 0.0000 0.7822 0.6152 ( 3762 PWs) bands (ev): -13.9973 -13.9973 -13.9964 -13.9964 -13.9587 -13.9587 -13.9551 -13.9551 -12.9721 -12.9721 -12.9701 -12.9701 -12.9417 -12.9417 -12.9359 -12.9359 -12.9115 -12.9115 -12.9080 -12.9080 -4.1151 -4.1151 -4.0681 -4.0681 1.3250 1.3250 1.9658 1.9658 3.0103 3.0103 3.3390 3.3390 4.3293 4.3293 4.4216 4.4216 6.1576 6.1576 6.1830 6.1830 10.3056 10.3056 10.7750 10.7750 12.2007 12.2007 12.2265 12.2265 k = 0.0000 0.7822 0.6344 ( 3772 PWs) bands (ev): -13.9972 -13.9972 -13.9965 -13.9965 -13.9584 -13.9584 -13.9554 -13.9554 -12.9720 -12.9720 -12.9703 -12.9703 -12.9413 -12.9413 -12.9364 -12.9364 -12.9111 -12.9111 -12.9082 -12.9082 -4.1051 -4.1051 -4.0657 -4.0657 1.3947 1.3947 1.9505 1.9505 2.9954 2.9954 3.2882 3.2882 4.2886 4.2886 4.3709 4.3709 6.1640 6.1640 6.1832 6.1832 10.3303 10.3303 10.7219 10.7219 12.2465 12.2465 12.2674 12.2674 k = 0.0000 0.7822 0.6537 ( 3774 PWs) bands (ev): -13.9972 -13.9972 -13.9966 -13.9966 -13.9580 -13.9580 -13.9557 -13.9557 -12.9719 -12.9719 -12.9705 -12.9705 -12.9409 -12.9409 -12.9370 -12.9370 -12.9108 -12.9108 -12.9084 -12.9084 -4.0961 -4.0961 -4.0644 -4.0644 1.4642 1.4642 1.9239 1.9239 2.9926 2.9926 3.2400 3.2400 4.2568 4.2568 4.3261 4.3261 6.1696 6.1696 6.1837 6.1837 10.3575 10.3575 10.6710 10.6710 12.2839 12.2839 12.3008 12.3008 k = 0.0000 0.7822 0.6729 ( 3772 PWs) bands (ev): -13.9971 -13.9971 -13.9967 -13.9967 -13.9577 -13.9577 -13.9559 -13.9559 -12.9717 -12.9717 -12.9707 -12.9707 -12.9404 -12.9404 -12.9375 -12.9375 -12.9104 -12.9104 -12.9086 -12.9086 -4.0881 -4.0881 -4.0643 -4.0643 1.5332 1.5332 1.8870 1.8870 3.0008 3.0008 3.1943 3.1943 4.2340 4.2340 4.2880 4.2880 6.1742 6.1742 6.1841 6.1841 10.3872 10.3872 10.6224 10.6224 12.3131 12.3131 12.3262 12.3262 k = 0.0000 0.7822 0.6921 ( 3774 PWs) bands (ev): -13.9971 -13.9971 -13.9968 -13.9968 -13.9574 -13.9574 -13.9562 -13.9562 -12.9716 -12.9716 -12.9709 -12.9709 -12.9400 -12.9400 -12.9380 -12.9380 -12.9100 -12.9100 -12.9089 -12.9089 -4.0812 -4.0812 -4.0653 -4.0653 1.6009 1.6009 1.8412 1.8412 3.0184 3.0184 3.1513 3.1513 4.2205 4.2205 4.2575 4.2575 6.1779 6.1779 6.1842 6.1842 10.4195 10.4195 10.5764 10.5764 12.3345 12.3345 12.3437 12.3437 k = 0.0000 0.7822 0.7113 ( 3770 PWs) bands (ev): -13.9970 -13.9970 -13.9969 -13.9969 -13.9571 -13.9571 -13.9565 -13.9565 -12.9714 -12.9714 -12.9711 -12.9711 -12.9395 -12.9395 -12.9385 -12.9385 -12.9097 -12.9097 -12.9091 -12.9091 -4.0755 -4.0755 -4.0675 -4.0675 1.6667 1.6667 1.7882 1.7882 3.0438 3.0438 3.1113 3.1113 4.2162 4.2162 4.2350 4.2350 6.1807 6.1807 6.1837 6.1837 10.4546 10.4546 10.5330 10.5330 12.3484 12.3484 12.3531 12.3531 k = 0.0000 0.7822 0.7306 ( 3768 PWs) bands (ev): -13.9969 -13.9969 -13.9969 -13.9969 -13.9568 -13.9568 -13.9568 -13.9568 -12.9712 -12.9712 -12.9712 -12.9712 -12.9390 -12.9390 -12.9390 -12.9390 -12.9094 -12.9094 -12.9094 -12.9094 -4.0709 -4.0709 -4.0709 -4.0709 1.7295 1.7295 1.7295 1.7295 3.0752 3.0752 3.0752 3.0752 4.2211 4.2211 4.2211 4.2211 6.1826 6.1826 6.1826 6.1826 10.4924 10.4924 10.4924 10.4924 12.3546 12.3546 12.3546 12.3546 k = 0.0000 0.7822 0.7306 ( 3768 PWs) bands (ev): -13.9969 -13.9969 -13.9969 -13.9969 -13.9568 -13.9568 -13.9568 -13.9568 -12.9712 -12.9712 -12.9712 -12.9712 -12.9390 -12.9390 -12.9390 -12.9390 -12.9094 -12.9094 -12.9094 -12.9094 -4.0709 -4.0709 -4.0709 -4.0709 1.7295 1.7295 1.7295 1.7295 3.0752 3.0752 3.0752 3.0752 4.2211 4.2211 4.2211 4.2211 6.1826 6.1826 6.1826 6.1826 10.4924 10.4924 10.4924 10.4924 12.3546 12.3546 12.3546 12.3546 k = 0.0188 0.7822 0.7306 ( 3766 PWs) bands (ev): -13.9970 -13.9970 -13.9969 -13.9969 -13.9569 -13.9569 -13.9567 -13.9567 -12.9714 -12.9714 -12.9711 -12.9711 -12.9393 -12.9393 -12.9388 -12.9388 -12.9098 -12.9098 -12.9091 -12.9091 -4.0709 -4.0709 -4.0709 -4.0709 1.7287 1.7287 1.7292 1.7292 3.0699 3.0699 3.0744 3.0744 4.2234 4.2234 4.2305 4.2305 6.1801 6.1801 6.1823 6.1823 10.4862 10.4862 10.4988 10.4988 12.3517 12.3517 12.3607 12.3607 k = 0.0377 0.7822 0.7306 ( 3764 PWs) bands (ev): -13.9971 -13.9971 -13.9968 -13.9968 -13.9570 -13.9570 -13.9567 -13.9567 -12.9716 -12.9716 -12.9709 -12.9709 -12.9395 -12.9395 -12.9386 -12.9386 -12.9101 -12.9101 -12.9087 -12.9087 -4.0710 -4.0710 -4.0709 -4.0709 1.7268 1.7268 1.7279 1.7279 3.0592 3.0592 3.0679 3.0679 4.2372 4.2372 4.2511 4.2511 6.1750 6.1750 6.1794 6.1794 10.4803 10.4803 10.5053 10.5053 12.3520 12.3520 12.3698 12.3698 k = 0.0565 0.7822 0.7306 ( 3764 PWs) bands (ev): -13.9971 -13.9971 -13.9968 -13.9968 -13.9571 -13.9571 -13.9566 -13.9566 -12.9717 -12.9717 -12.9708 -12.9708 -12.9397 -12.9397 -12.9384 -12.9384 -12.9105 -12.9105 -12.9084 -12.9084 -4.0712 -4.0712 -4.0710 -4.0710 1.7238 1.7238 1.7254 1.7254 3.0438 3.0438 3.0563 3.0563 4.2616 4.2616 4.2819 4.2819 6.1673 6.1673 6.1740 6.1740 10.4744 10.4744 10.5117 10.5117 12.3556 12.3556 12.3821 12.3821 k = 0.0754 0.7822 0.7306 ( 3766 PWs) bands (ev): -13.9972 -13.9972 -13.9967 -13.9967 -13.9571 -13.9571 -13.9565 -13.9565 -12.9719 -12.9719 -12.9706 -12.9706 -12.9399 -12.9399 -12.9382 -12.9382 -12.9108 -12.9108 -12.9080 -12.9080 -4.0714 -4.0714 -4.0712 -4.0712 1.7197 1.7197 1.7217 1.7217 3.0252 3.0252 3.0408 3.0408 4.2953 4.2953 4.3215 4.3215 6.1574 6.1574 6.1664 6.1664 10.4683 10.4683 10.5176 10.5176 12.3626 12.3626 12.3975 12.3975 k = 0.0942 0.7822 0.7306 ( 3768 PWs) bands (ev): -13.9973 -13.9973 -13.9966 -13.9966 -13.9572 -13.9572 -13.9564 -13.9564 -12.9720 -12.9720 -12.9704 -12.9704 -12.9401 -12.9401 -12.9380 -12.9380 -12.9111 -12.9111 -12.9077 -12.9077 -4.0716 -4.0716 -4.0714 -4.0714 1.7143 1.7143 1.7168 1.7168 3.0046 3.0046 3.0227 3.0227 4.3367 4.3367 4.3680 4.3680 6.1456 6.1456 6.1570 6.1570 10.4617 10.4617 10.5225 10.5225 12.3730 12.3730 12.4160 12.4160 k = 0.1131 0.7822 0.7306 ( 3762 PWs) bands (ev): -13.9973 -13.9973 -13.9966 -13.9966 -13.9573 -13.9573 -13.9563 -13.9563 -12.9721 -12.9721 -12.9703 -12.9703 -12.9402 -12.9402 -12.9378 -12.9378 -12.9114 -12.9114 -12.9074 -12.9074 -4.0719 -4.0719 -4.0717 -4.0717 1.7076 1.7076 1.7106 1.7106 2.9835 2.9835 3.0036 3.0036 4.3838 4.3838 4.4200 4.4200 6.1325 6.1325 6.1463 6.1463 10.4542 10.4542 10.5261 10.5261 12.3870 12.3870 12.4374 12.4374 k = 0.1319 0.7822 0.7306 ( 3764 PWs) bands (ev): -13.9974 -13.9974 -13.9965 -13.9965 -13.9573 -13.9573 -13.9563 -13.9563 -12.9722 -12.9722 -12.9702 -12.9702 -12.9404 -12.9404 -12.9377 -12.9377 -12.9117 -12.9117 -12.9071 -12.9071 -4.0723 -4.0723 -4.0720 -4.0720 1.6996 1.6996 1.7031 1.7031 2.9631 2.9631 2.9846 2.9846 4.4351 4.4351 4.4755 4.4755 6.1186 6.1186 6.1350 6.1350 10.4453 10.4453 10.5275 10.5275 12.4044 12.4044 12.4617 12.4617 k = 0.1507 0.7822 0.7306 ( 3766 PWs) bands (ev): -13.9974 -13.9974 -13.9965 -13.9965 -13.9574 -13.9574 -13.9562 -13.9562 -12.9723 -12.9723 -12.9700 -12.9700 -12.9406 -12.9406 -12.9376 -12.9376 -12.9120 -12.9120 -12.9069 -12.9069 -4.0728 -4.0728 -4.0725 -4.0725 1.6903 1.6903 1.6942 1.6942 2.9443 2.9443 2.9669 2.9669 4.4886 4.4886 4.5330 4.5330 6.1047 6.1047 6.1238 6.1238 10.4348 10.4348 10.5265 10.5265 12.4249 12.4249 12.4883 12.4883 k = 0.1696 0.7822 0.7306 ( 3764 PWs) bands (ev): -13.9975 -13.9975 -13.9964 -13.9964 -13.9574 -13.9574 -13.9562 -13.9562 -12.9724 -12.9724 -12.9699 -12.9699 -12.9407 -12.9407 -12.9374 -12.9374 -12.9122 -12.9122 -12.9067 -12.9067 -4.0734 -4.0734 -4.0731 -4.0731 1.6796 1.6796 1.6839 1.6839 2.9281 2.9281 2.9514 2.9514 4.5426 4.5426 4.5907 4.5907 6.0917 6.0917 6.1134 6.1134 10.4222 10.4222 10.5225 10.5225 12.4482 12.4482 12.5168 12.5168 k = 0.1884 0.7822 0.7306 ( 3760 PWs) bands (ev): -13.9975 -13.9975 -13.9964 -13.9964 -13.9575 -13.9575 -13.9561 -13.9561 -12.9725 -12.9725 -12.9698 -12.9698 -12.9408 -12.9408 -12.9374 -12.9374 -12.9124 -12.9124 -12.9065 -12.9065 -4.0741 -4.0741 -4.0737 -4.0737 1.6676 1.6676 1.6723 1.6723 2.9151 2.9151 2.9388 2.9388 4.5956 4.5956 4.6469 4.6469 6.0804 6.0804 6.1048 6.1048 10.4073 10.4073 10.5152 10.5152 12.4733 12.4733 12.5461 12.5461 k = 0.2073 0.7822 0.7306 ( 3756 PWs) bands (ev): -13.9976 -13.9976 -13.9964 -13.9964 -13.9575 -13.9575 -13.9561 -13.9561 -12.9725 -12.9725 -12.9697 -12.9697 -12.9409 -12.9409 -12.9373 -12.9373 -12.9125 -12.9125 -12.9063 -12.9063 -4.0750 -4.0750 -4.0746 -4.0746 1.6544 1.6544 1.6595 1.6595 2.9058 2.9058 2.9297 2.9297 4.6458 4.6458 4.7002 4.7002 6.0718 6.0718 6.0989 6.0989 10.3901 10.3901 10.5044 10.5044 12.4989 12.4989 12.5750 12.5750 k = 0.2261 0.7822 0.7306 ( 3750 PWs) bands (ev): -13.9976 -13.9976 -13.9963 -13.9963 -13.9575 -13.9575 -13.9560 -13.9560 -12.9725 -12.9725 -12.9696 -12.9696 -12.9410 -12.9410 -12.9373 -12.9373 -12.9126 -12.9126 -12.9062 -12.9062 -4.0760 -4.0760 -4.0755 -4.0755 1.6402 1.6402 1.6456 1.6456 2.9005 2.9005 2.9244 2.9244 4.6918 4.6918 4.7488 4.7488 6.0669 6.0669 6.0966 6.0966 10.3706 10.3706 10.4902 10.4902 12.5233 12.5233 12.6018 12.6018 k = 0.2450 0.7822 0.7306 ( 3750 PWs) bands (ev): -13.9976 -13.9976 -13.9963 -13.9963 -13.9575 -13.9575 -13.9560 -13.9560 -12.9725 -12.9725 -12.9696 -12.9696 -12.9411 -12.9411 -12.9373 -12.9373 -12.9127 -12.9127 -12.9061 -12.9061 -4.0771 -4.0771 -4.0766 -4.0766 1.6252 1.6252 1.6307 1.6307 2.8993 2.8993 2.9233 2.9233 4.7322 4.7322 4.7914 4.7914 6.0666 6.0666 6.0984 6.0984 10.3491 10.3491 10.4727 10.4727 12.5442 12.5442 12.6242 12.6242 k = 0.2638 0.7822 0.7306 ( 3758 PWs) bands (ev): -13.9976 -13.9976 -13.9963 -13.9963 -13.9575 -13.9575 -13.9560 -13.9560 -12.9725 -12.9725 -12.9696 -12.9696 -12.9411 -12.9411 -12.9373 -12.9373 -12.9127 -12.9127 -12.9061 -12.9061 -4.0784 -4.0784 -4.0779 -4.0779 1.6095 1.6095 1.6152 1.6152 2.9023 2.9023 2.9262 2.9262 4.7660 4.7660 4.8268 4.8268 6.0714 6.0714 6.1051 6.1051 10.3260 10.3260 10.4524 10.4524 12.5589 12.5589 12.6400 12.6400 k = 0.2826 0.7822 0.7306 ( 3758 PWs) bands (ev): -13.9977 -13.9977 -13.9963 -13.9963 -13.9575 -13.9575 -13.9560 -13.9560 -12.9725 -12.9725 -12.9695 -12.9695 -12.9412 -12.9412 -12.9373 -12.9373 -12.9127 -12.9127 -12.9060 -12.9060 -4.0799 -4.0799 -4.0794 -4.0794 1.5934 1.5934 1.5992 1.5992 2.9095 2.9095 2.9333 2.9333 4.7924 4.7924 4.8540 4.8540 6.0816 6.0816 6.1167 6.1167 10.3019 10.3019 10.4301 10.4301 12.5648 12.5648 12.6468 12.6468 k = 0.2826 0.7822 0.7306 ( 3758 PWs) bands (ev): -13.9977 -13.9977 -13.9963 -13.9963 -13.9575 -13.9575 -13.9560 -13.9560 -12.9725 -12.9725 -12.9695 -12.9695 -12.9412 -12.9412 -12.9373 -12.9373 -12.9127 -12.9127 -12.9060 -12.9060 -4.0799 -4.0799 -4.0794 -4.0794 1.5934 1.5934 1.5992 1.5992 2.9095 2.9095 2.9333 2.9333 4.7924 4.7924 4.8540 4.8540 6.0816 6.0816 6.1167 6.1167 10.3019 10.3019 10.4301 10.4301 12.5648 12.5648 12.6468 12.6468 k = 0.2761 0.7640 0.7306 ( 3750 PWs) bands (ev): -13.9976 -13.9976 -13.9963 -13.9963 -13.9575 -13.9575 -13.9560 -13.9560 -12.9726 -12.9726 -12.9696 -12.9696 -12.9411 -12.9411 -12.9372 -12.9372 -12.9128 -12.9128 -12.9061 -12.9061 -4.0757 -4.0757 -4.0752 -4.0752 1.6399 1.6399 1.6455 1.6455 2.8859 2.8859 2.9102 2.9102 4.7271 4.7271 4.7870 4.7870 6.0426 6.0426 6.0744 6.0744 10.3748 10.3748 10.4993 10.4993 12.5624 12.5624 12.6422 12.6422 k = 0.2695 0.7458 0.7306 ( 3746 PWs) bands (ev): -13.9976 -13.9976 -13.9963 -13.9963 -13.9576 -13.9576 -13.9560 -13.9560 -12.9727 -12.9727 -12.9696 -12.9696 -12.9410 -12.9410 -12.9370 -12.9370 -12.9129 -12.9129 -12.9061 -12.9061 -4.0727 -4.0727 -4.0722 -4.0722 1.6809 1.6809 1.6864 1.6864 2.8716 2.8716 2.8965 2.8965 4.6673 4.6673 4.7257 4.7257 6.0033 6.0033 6.0322 6.0322 10.4466 10.4466 10.5674 10.5674 12.5602 12.5602 12.6388 12.6388 k = 0.2629 0.7277 0.7306 ( 3750 PWs) bands (ev): -13.9976 -13.9976 -13.9964 -13.9964 -13.9576 -13.9576 -13.9560 -13.9560 -12.9728 -12.9728 -12.9696 -12.9696 -12.9410 -12.9410 -12.9369 -12.9369 -12.9130 -12.9130 -12.9061 -12.9061 -4.0709 -4.0709 -4.0705 -4.0705 1.7156 1.7156 1.7208 1.7208 2.8673 2.8673 2.8929 2.8929 4.6137 4.6137 4.6707 4.6707 5.9639 5.9639 5.9900 5.9900 10.5172 10.5172 10.6342 10.6342 12.5576 12.5576 12.6360 12.6360 k = 0.2563 0.7095 0.7306 ( 3752 PWs) bands (ev): -13.9975 -13.9975 -13.9964 -13.9964 -13.9576 -13.9576 -13.9560 -13.9560 -12.9729 -12.9729 -12.9696 -12.9696 -12.9409 -12.9409 -12.9368 -12.9368 -12.9131 -12.9131 -12.9062 -12.9062 -4.0704 -4.0704 -4.0700 -4.0700 1.7430 1.7430 1.7479 1.7479 2.8735 2.8735 2.8997 2.8997 4.5669 4.5669 4.6224 4.6224 5.9244 5.9244 5.9478 5.9478 10.5863 10.5863 10.6997 10.6997 12.5539 12.5539 12.6332 12.6332 k = 0.2498 0.6913 0.7306 ( 3764 PWs) bands (ev): -13.9975 -13.9975 -13.9964 -13.9964 -13.9576 -13.9576 -13.9560 -13.9560 -12.9729 -12.9729 -12.9695 -12.9695 -12.9408 -12.9408 -12.9366 -12.9366 -12.9132 -12.9132 -12.9063 -12.9063 -4.0711 -4.0711 -4.0708 -4.0708 1.7626 1.7626 1.7673 1.7673 2.8901 2.8901 2.9170 2.9170 4.5273 4.5273 4.5815 4.5815 5.8848 5.8848 5.9057 5.9057 10.6539 10.6539 10.7636 10.7636 12.5485 12.5485 12.6299 12.6299 k = 0.2432 0.6731 0.7306 ( 3764 PWs) bands (ev): -13.9974 -13.9974 -13.9964 -13.9964 -13.9577 -13.9577 -13.9561 -13.9561 -12.9730 -12.9730 -12.9695 -12.9695 -12.9407 -12.9407 -12.9365 -12.9365 -12.9133 -12.9133 -12.9064 -12.9064 -4.0732 -4.0732 -4.0728 -4.0728 1.7743 1.7743 1.7788 1.7788 2.9169 2.9169 2.9444 2.9444 4.4954 4.4954 4.5483 4.5483 5.8454 5.8454 5.8638 5.8638 10.7197 10.7197 10.8257 10.8257 12.5406 12.5406 12.6251 12.6251 k = 0.2366 0.6549 0.7306 ( 3768 PWs) bands (ev): -13.9973 -13.9973 -13.9964 -13.9964 -13.9577 -13.9577 -13.9561 -13.9561 -12.9730 -12.9730 -12.9694 -12.9694 -12.9406 -12.9406 -12.9364 -12.9364 -12.9134 -12.9134 -12.9065 -12.9065 -4.0765 -4.0765 -4.0761 -4.0761 1.7784 1.7784 1.7826 1.7826 2.9530 2.9530 2.9811 2.9811 4.4719 4.4719 4.5235 4.5235 5.8062 5.8062 5.8221 5.8221 10.7834 10.7834 10.8859 10.8859 12.5293 12.5293 12.6181 12.6181 k = 0.2301 0.6367 0.7306 ( 3772 PWs) bands (ev): -13.9973 -13.9973 -13.9965 -13.9965 -13.9577 -13.9577 -13.9561 -13.9561 -12.9731 -12.9731 -12.9694 -12.9694 -12.9405 -12.9405 -12.9363 -12.9363 -12.9135 -12.9135 -12.9066 -12.9066 -4.0811 -4.0811 -4.0807 -4.0807 1.7755 1.7755 1.7795 1.7795 2.9973 2.9973 3.0258 3.0258 4.4572 4.4572 4.5074 4.5074 5.7674 5.7674 5.7809 5.7809 10.8447 10.8447 10.9438 10.9438 12.5139 12.5139 12.6081 12.6081 k = 0.2235 0.6185 0.7306 ( 3780 PWs) bands (ev): -13.9972 -13.9972 -13.9965 -13.9965 -13.9578 -13.9578 -13.9561 -13.9561 -12.9731 -12.9731 -12.9693 -12.9693 -12.9404 -12.9404 -12.9362 -12.9362 -12.9137 -12.9137 -12.9068 -12.9068 -4.0868 -4.0868 -4.0865 -4.0865 1.7665 1.7665 1.7703 1.7703 3.0484 3.0484 3.0774 3.0774 4.4518 4.4518 4.5006 4.5006 5.7291 5.7291 5.7402 5.7402 10.9032 10.9032 10.9991 10.9991 12.4936 12.4936 12.5943 12.5943 k = 0.2169 0.6003 0.7306 ( 3768 PWs) bands (ev): -13.9972 -13.9972 -13.9965 -13.9965 -13.9578 -13.9578 -13.9562 -13.9562 -12.9731 -12.9731 -12.9693 -12.9693 -12.9403 -12.9403 -12.9361 -12.9361 -12.9138 -12.9138 -12.9070 -12.9070 -4.0938 -4.0938 -4.0935 -4.0935 1.7521 1.7521 1.7557 1.7557 3.1050 3.1050 3.1343 3.1343 4.4562 4.4562 4.5032 4.5032 5.6915 5.6915 5.7003 5.7003 10.9585 10.9585 11.0513 11.0513 12.4678 12.4678 12.5759 12.5759 k = 0.2103 0.5821 0.7306 ( 3768 PWs) bands (ev): -13.9971 -13.9971 -13.9965 -13.9965 -13.9578 -13.9578 -13.9562 -13.9562 -12.9731 -12.9731 -12.9692 -12.9692 -12.9402 -12.9402 -12.9361 -12.9361 -12.9139 -12.9139 -12.9072 -12.9072 -4.1018 -4.1018 -4.1016 -4.1016 1.7333 1.7333 1.7367 1.7367 3.1658 3.1658 3.1952 3.1952 4.4705 4.4705 4.5157 4.5157 5.6549 5.6549 5.6612 5.6612 11.0099 11.0099 11.1000 11.1000 12.4361 12.4361 12.5525 12.5525 k = 0.2038 0.5639 0.7306 ( 3764 PWs) bands (ev): -13.9970 -13.9970 -13.9965 -13.9965 -13.9579 -13.9579 -13.9563 -13.9563 -12.9731 -12.9731 -12.9691 -12.9691 -12.9400 -12.9400 -12.9360 -12.9360 -12.9140 -12.9140 -12.9074 -12.9074 -4.1109 -4.1109 -4.1107 -4.1107 1.7109 1.7109 1.7139 1.7139 3.2295 3.2295 3.2590 3.2590 4.4951 4.4951 4.5382 4.5382 5.6195 5.6195 5.6231 5.6231 11.0568 11.0568 11.1444 11.1444 12.3982 12.3982 12.5236 12.5236 k = 0.1972 0.5457 0.7306 ( 3764 PWs) bands (ev): -13.9969 -13.9969 -13.9965 -13.9965 -13.9579 -13.9579 -13.9563 -13.9563 -12.9731 -12.9731 -12.9690 -12.9690 -12.9399 -12.9399 -12.9359 -12.9359 -12.9142 -12.9142 -12.9076 -12.9076 -4.1210 -4.1210 -4.1208 -4.1208 1.6854 1.6854 1.6882 1.6882 3.2952 3.2952 3.3246 3.3246 4.5300 4.5300 4.5706 4.5706 5.5854 5.5854 5.5863 5.5863 11.0982 11.0982 11.1838 11.1838 12.3541 12.3541 12.4891 12.4891 k = 0.1906 0.5276 0.7306 ( 3774 PWs) bands (ev): -13.9969 -13.9969 -13.9965 -13.9965 -13.9579 -13.9579 -13.9563 -13.9563 -12.9730 -12.9730 -12.9689 -12.9689 -12.9397 -12.9397 -12.9359 -12.9359 -12.9143 -12.9143 -12.9078 -12.9078 -4.1321 -4.1321 -4.1319 -4.1319 1.6575 1.6575 1.6600 1.6600 3.3621 3.3621 3.3913 3.3913 4.5753 4.5753 4.6129 4.6129 5.5511 5.5511 5.5532 5.5532 11.1331 11.1331 11.2170 11.2170 12.3040 12.3040 12.4491 12.4491 k = 0.1840 0.5094 0.7306 ( 3766 PWs) bands (ev): -13.9968 -13.9968 -13.9965 -13.9965 -13.9580 -13.9580 -13.9564 -13.9564 -12.9730 -12.9730 -12.9688 -12.9688 -12.9396 -12.9396 -12.9358 -12.9358 -12.9144 -12.9144 -12.9081 -12.9081 -4.1439 -4.1439 -4.1437 -4.1437 1.6277 1.6277 1.6298 1.6298 3.4296 3.4296 3.4583 3.4583 4.6305 4.6305 4.6648 4.6648 5.5176 5.5176 5.5232 5.5232 11.1601 11.1601 11.2429 11.2429 12.2485 12.2485 12.4040 12.4040 k = 0.1775 0.4912 0.7306 ( 3762 PWs) bands (ev): -13.9967 -13.9967 -13.9964 -13.9964 -13.9580 -13.9580 -13.9565 -13.9565 -12.9729 -12.9729 -12.9687 -12.9687 -12.9394 -12.9394 -12.9357 -12.9357 -12.9145 -12.9145 -12.9083 -12.9083 -4.1564 -4.1564 -4.1563 -4.1563 1.5964 1.5964 1.5982 1.5982 3.4971 3.4971 3.5254 3.5254 4.6954 4.6954 4.7254 4.7254 5.4862 5.4862 5.4958 5.4958 11.1778 11.1778 11.2597 11.2597 12.1883 12.1883 12.3542 12.3542 k = 0.1709 0.4730 0.7306 ( 3762 PWs) bands (ev): -13.9966 -13.9966 -13.9964 -13.9964 -13.9580 -13.9580 -13.9565 -13.9565 -12.9729 -12.9729 -12.9686 -12.9686 -12.9392 -12.9392 -12.9357 -12.9357 -12.9147 -12.9147 -12.9086 -12.9086 -4.1696 -4.1696 -4.1695 -4.1695 1.5639 1.5639 1.5654 1.5654 3.5645 3.5645 3.5920 3.5920 4.7692 4.7692 4.7942 4.7942 5.4574 5.4574 5.4718 5.4718 11.1845 11.1845 11.2657 11.2657 12.1245 12.1245 12.3006 12.3006 k = 0.1643 0.4548 0.7306 ( 3762 PWs) bands (ev): -13.9966 -13.9966 -13.9964 -13.9964 -13.9580 -13.9580 -13.9566 -13.9566 -12.9728 -12.9728 -12.9686 -12.9686 -12.9390 -12.9390 -12.9356 -12.9356 -12.9148 -12.9148 -12.9089 -12.9089 -4.1834 -4.1834 -4.1833 -4.1833 1.5307 1.5307 1.5319 1.5319 3.6313 3.6313 3.6582 3.6582 4.8512 4.8512 4.8696 4.8696 5.4316 5.4316 5.4522 5.4522 11.1785 11.1785 11.2587 11.2587 12.0585 12.0585 12.2439 12.2439 k = 0.1578 0.4366 0.7306 ( 3766 PWs) bands (ev): -13.9965 -13.9965 -13.9964 -13.9964 -13.9581 -13.9581 -13.9566 -13.9566 -12.9727 -12.9727 -12.9685 -12.9685 -12.9388 -12.9388 -12.9356 -12.9356 -12.9149 -12.9149 -12.9091 -12.9091 -4.1976 -4.1976 -4.1975 -4.1975 1.4969 1.4969 1.4979 1.4979 3.6975 3.6975 3.7236 3.7236 4.9402 4.9402 4.9499 4.9499 5.4097 5.4097 5.4387 5.4387 11.1582 11.1582 11.2368 11.2368 11.9916 11.9916 12.1846 12.1846 k = 0.1512 0.4184 0.7306 ( 3774 PWs) bands (ev): -13.9964 -13.9964 -13.9964 -13.9964 -13.9581 -13.9581 -13.9567 -13.9567 -12.9726 -12.9726 -12.9684 -12.9684 -12.9386 -12.9386 -12.9355 -12.9355 -12.9150 -12.9150 -12.9094 -12.9094 -4.2121 -4.2121 -4.2120 -4.2120 1.4630 1.4630 1.4637 1.4637 3.7627 3.7627 3.7881 3.7881 5.0320 5.0320 5.0346 5.0346 5.3929 5.3929 5.4340 5.4340 11.1225 11.1225 11.1984 11.1984 11.9246 11.9246 12.1227 12.1227 k = 0.1446 0.4002 0.7306 ( 3766 PWs) bands (ev): -13.9964 -13.9964 -13.9964 -13.9964 -13.9581 -13.9581 -13.9568 -13.9568 -12.9725 -12.9725 -12.9683 -12.9683 -12.9384 -12.9384 -12.9355 -12.9355 -12.9151 -12.9151 -12.9097 -12.9097 -4.2268 -4.2268 -4.2268 -4.2268 1.4291 1.4291 1.4296 1.4296 3.8268 3.8268 3.8514 3.8514 5.1104 5.1104 5.1311 5.1311 5.3844 5.3844 5.4433 5.4433 11.0710 11.0710 11.1428 11.1428 11.8576 11.8576 12.0577 12.0577 k = 0.1380 0.3820 0.7306 ( 3760 PWs) bands (ev): -13.9963 -13.9963 -13.9963 -13.9963 -13.9582 -13.9582 -13.9568 -13.9568 -12.9724 -12.9724 -12.9683 -12.9683 -12.9382 -12.9382 -12.9354 -12.9354 -12.9152 -12.9152 -12.9100 -12.9100 -4.2417 -4.2417 -4.2417 -4.2417 1.3955 1.3955 1.3958 1.3958 3.8893 3.8893 3.9132 3.9132 5.1771 5.1771 5.2205 5.2205 5.3930 5.3930 5.4745 5.4745 11.0042 11.0042 11.0707 11.0707 11.7898 11.7898 11.9886 11.9886 k = 0.1315 0.3638 0.7306 ( 3760 PWs) bands (ev): -13.9963 -13.9963 -13.9962 -13.9962 -13.9582 -13.9582 -13.9569 -13.9569 -12.9723 -12.9723 -12.9682 -12.9682 -12.9380 -12.9380 -12.9354 -12.9354 -12.9153 -12.9153 -12.9103 -12.9103 -4.2567 -4.2567 -4.2566 -4.2566 1.3623 1.3623 1.3624 1.3624 3.9497 3.9497 3.9730 3.9730 5.2255 5.2255 5.2801 5.2801 5.4416 5.4416 5.5342 5.5342 10.9233 10.9233 10.9836 10.9836 11.7196 11.7196 11.9140 11.9140 k = 0.1249 0.3456 0.7306 ( 3762 PWs) bands (ev): -13.9963 -13.9963 -13.9962 -13.9962 -13.9582 -13.9582 -13.9570 -13.9570 -12.9722 -12.9722 -12.9682 -12.9682 -12.9378 -12.9378 -12.9353 -12.9353 -12.9154 -12.9154 -12.9106 -12.9106 -4.2715 -4.2715 -4.2715 -4.2715 1.3298 1.3298 1.3298 1.3298 4.0075 4.0075 4.0301 4.0301 5.2581 5.2581 5.3054 5.3054 5.5346 5.5346 5.6199 5.6199 10.8300 10.8300 10.8839 10.8839 11.6454 11.6454 11.8328 11.8328 k = 0.1183 0.3274 0.7306 ( 3762 PWs) bands (ev): -13.9962 -13.9962 -13.9961 -13.9961 -13.9582 -13.9582 -13.9570 -13.9570 -12.9721 -12.9721 -12.9681 -12.9681 -12.9376 -12.9376 -12.9353 -12.9353 -12.9155 -12.9155 -12.9110 -12.9110 -4.2863 -4.2863 -4.2863 -4.2863 1.2979 1.2979 1.2982 1.2982 4.0620 4.0620 4.0840 4.0840 5.2834 5.2834 5.3204 5.3204 5.6480 5.6480 5.7231 5.7231 10.7264 10.7264 10.7740 10.7740 11.5658 11.5658 11.7444 11.7444 k = 0.1117 0.3093 0.7306 ( 3762 PWs) bands (ev): -13.9962 -13.9962 -13.9961 -13.9961 -13.9582 -13.9582 -13.9571 -13.9571 -12.9720 -12.9720 -12.9681 -12.9681 -12.9374 -12.9374 -12.9352 -12.9352 -12.9156 -12.9156 -12.9113 -12.9113 -4.3008 -4.3008 -4.3007 -4.3007 1.2672 1.2672 1.2675 1.2675 4.1125 4.1125 4.1339 4.1339 5.3080 5.3080 5.3370 5.3370 5.7699 5.7699 5.8371 5.8371 10.6146 10.6146 10.6564 10.6564 11.4798 11.4798 11.6486 11.6486 k = 0.1052 0.2911 0.7306 ( 3762 PWs) bands (ev): -13.9962 -13.9962 -13.9960 -13.9960 -13.9583 -13.9583 -13.9572 -13.9572 -12.9719 -12.9719 -12.9681 -12.9681 -12.9372 -12.9372 -12.9352 -12.9352 -12.9156 -12.9156 -12.9116 -12.9116 -4.3149 -4.3149 -4.3149 -4.3149 1.2375 1.2375 1.2380 1.2380 4.1584 4.1584 4.1791 4.1791 5.3360 5.3360 5.3591 5.3591 5.8966 5.8966 5.9578 5.9578 10.4964 10.4964 10.5332 10.5332 11.3874 11.3874 11.5459 11.5459 k = 0.0986 0.2729 0.7306 ( 3762 PWs) bands (ev): -13.9962 -13.9962 -13.9960 -13.9960 -13.9583 -13.9583 -13.9572 -13.9572 -12.9717 -12.9717 -12.9681 -12.9681 -12.9370 -12.9370 -12.9351 -12.9351 -12.9157 -12.9157 -12.9118 -12.9118 -4.3286 -4.3286 -4.3286 -4.3286 1.2091 1.2091 1.2097 1.2097 4.1993 4.1993 4.2192 4.2192 5.3694 5.3694 5.3881 5.3881 6.0261 6.0261 6.0829 6.0829 10.3740 10.3740 10.4063 10.4063 11.2888 11.2888 11.4369 11.4369 k = 0.0920 0.2547 0.7306 ( 3758 PWs) bands (ev): -13.9961 -13.9961 -13.9959 -13.9959 -13.9583 -13.9583 -13.9573 -13.9573 -12.9716 -12.9716 -12.9682 -12.9682 -12.9368 -12.9368 -12.9351 -12.9351 -12.9157 -12.9157 -12.9121 -12.9121 -4.3418 -4.3418 -4.3418 -4.3418 1.1821 1.1821 1.1827 1.1827 4.2347 4.2347 4.2537 4.2537 5.4090 5.4090 5.4245 5.4245 6.1574 6.1574 6.2108 6.2108 10.2489 10.2489 10.2775 10.2775 11.1846 11.1846 11.3226 11.3226 k = 0.0854 0.2365 0.7306 ( 3758 PWs) bands (ev): -13.9961 -13.9961 -13.9959 -13.9959 -13.9583 -13.9583 -13.9574 -13.9574 -12.9715 -12.9715 -12.9682 -12.9682 -12.9366 -12.9366 -12.9350 -12.9350 -12.9158 -12.9158 -12.9124 -12.9124 -4.3545 -4.3545 -4.3545 -4.3545 1.1566 1.1566 1.1573 1.1573 4.2647 4.2647 4.2826 4.2826 5.4552 5.4552 5.4682 5.4682 6.2896 6.2896 6.3401 6.3401 10.1228 10.1228 10.1481 10.1481 11.0756 11.0756 11.2039 11.2039 k = 0.0789 0.2183 0.7306 ( 3758 PWs) bands (ev): -13.9961 -13.9961 -13.9959 -13.9959 -13.9583 -13.9583 -13.9574 -13.9574 -12.9713 -12.9713 -12.9683 -12.9683 -12.9364 -12.9364 -12.9350 -12.9350 -12.9158 -12.9158 -12.9127 -12.9127 -4.3665 -4.3665 -4.3664 -4.3664 1.1327 1.1327 1.1334 1.1334 4.2895 4.2895 4.3062 4.3062 5.5075 5.5075 5.5186 5.5186 6.4217 6.4217 6.4699 6.4699 9.9973 9.9973 10.0199 10.0199 10.9629 10.9629 11.0819 11.0819 k = 0.0723 0.2001 0.7306 ( 3758 PWs) bands (ev): -13.9960 -13.9960 -13.9958 -13.9958 -13.9583 -13.9583 -13.9575 -13.9575 -12.9712 -12.9712 -12.9683 -12.9683 -12.9362 -12.9362 -12.9349 -12.9349 -12.9158 -12.9158 -12.9130 -12.9130 -4.3778 -4.3778 -4.3777 -4.3777 1.1104 1.1104 1.1111 1.1111 4.3095 4.3095 4.3249 4.3249 5.5650 5.5650 5.5748 5.5748 6.5530 6.5530 6.5991 6.5991 9.8738 9.8738 9.8941 9.8941 10.8474 10.8474 10.9577 10.9577 k = 0.0657 0.1819 0.7306 ( 3760 PWs) bands (ev): -13.9960 -13.9960 -13.9958 -13.9958 -13.9583 -13.9583 -13.9575 -13.9575 -12.9711 -12.9711 -12.9684 -12.9684 -12.9360 -12.9360 -12.9349 -12.9349 -12.9158 -12.9158 -12.9132 -12.9132 -4.3883 -4.3883 -4.3882 -4.3882 1.0899 1.0899 1.0905 1.0905 4.3253 4.3253 4.3394 4.3394 5.6268 5.6268 5.6353 5.6353 6.6823 6.6823 6.7263 6.7263 9.7540 9.7540 9.7723 9.7723 10.7305 10.7305 10.8324 10.8324 k = 0.0592 0.1637 0.7306 ( 3760 PWs) bands (ev): -13.9960 -13.9960 -13.9958 -13.9958 -13.9583 -13.9583 -13.9576 -13.9576 -12.9709 -12.9709 -12.9685 -12.9685 -12.9358 -12.9358 -12.9348 -12.9348 -12.9158 -12.9158 -12.9135 -12.9135 -4.3980 -4.3980 -4.3979 -4.3979 1.0712 1.0712 1.0718 1.0718 4.3375 4.3375 4.3501 4.3501 5.6912 5.6912 5.6989 5.6989 6.8085 6.8085 6.8504 6.8504 9.6394 9.6394 9.6561 9.6561 10.6135 10.6135 10.7071 10.7071 k = 0.0526 0.1455 0.7306 ( 3760 PWs) bands (ev): -13.9960 -13.9960 -13.9958 -13.9958 -13.9583 -13.9583 -13.9577 -13.9577 -12.9708 -12.9708 -12.9686 -12.9686 -12.9357 -12.9357 -12.9348 -12.9348 -12.9158 -12.9158 -12.9137 -12.9137 -4.4068 -4.4068 -4.4067 -4.4067 1.0542 1.0542 1.0548 1.0548 4.3467 4.3467 4.3579 4.3579 5.7568 5.7568 5.7637 5.7637 6.9301 6.9301 6.9698 6.9698 9.5318 9.5318 9.5470 9.5470 10.4979 10.4979 10.5835 10.5835 k = 0.0460 0.1273 0.7306 ( 3764 PWs) bands (ev): -13.9959 -13.9959 -13.9958 -13.9958 -13.9583 -13.9583 -13.9577 -13.9577 -12.9706 -12.9706 -12.9687 -12.9687 -12.9355 -12.9355 -12.9348 -12.9348 -12.9157 -12.9157 -12.9139 -12.9139 -4.4146 -4.4146 -4.4146 -4.4146 1.0392 1.0392 1.0397 1.0397 4.3535 4.3535 4.3633 4.3633 5.8218 5.8218 5.8279 5.8279 7.0456 7.0456 7.0827 7.0827 9.4329 9.4329 9.4468 9.4468 10.3856 10.3856 10.4630 10.4630 k = 0.0394 0.1091 0.7306 ( 3766 PWs) bands (ev): -13.9959 -13.9959 -13.9958 -13.9958 -13.9582 -13.9582 -13.9578 -13.9578 -12.9705 -12.9705 -12.9688 -12.9688 -12.9354 -12.9354 -12.9347 -12.9347 -12.9157 -12.9157 -12.9141 -12.9141 -4.4215 -4.4215 -4.4215 -4.4215 1.0261 1.0261 1.0266 1.0266 4.3586 4.3586 4.3669 4.3669 5.8842 5.8842 5.8897 5.8897 7.1530 7.1530 7.1871 7.1871 9.3445 9.3445 9.3573 9.3573 10.2787 10.2787 10.3477 10.3477 k = 0.0329 0.0910 0.7306 ( 3762 PWs) bands (ev): -13.9959 -13.9959 -13.9958 -13.9958 -13.9582 -13.9582 -13.9578 -13.9578 -12.9703 -12.9703 -12.9689 -12.9689 -12.9352 -12.9352 -12.9347 -12.9347 -12.9156 -12.9156 -12.9144 -12.9144 -4.4274 -4.4274 -4.4274 -4.4274 1.0150 1.0150 1.0154 1.0154 4.3622 4.3622 4.3692 4.3692 5.9422 5.9422 5.9469 5.9469 7.2501 7.2501 7.2805 7.2805 9.2684 9.2684 9.2800 9.2800 10.1799 10.1799 10.2400 10.2400 k = 0.0263 0.0728 0.7306 ( 3758 PWs) bands (ev): -13.9959 -13.9959 -13.9958 -13.9958 -13.9582 -13.9582 -13.9579 -13.9579 -12.9702 -12.9702 -12.9691 -12.9691 -12.9351 -12.9351 -12.9347 -12.9347 -12.9156 -12.9156 -12.9145 -12.9145 -4.4323 -4.4323 -4.4322 -4.4322 1.0059 1.0059 1.0062 1.0062 4.3648 4.3648 4.3704 4.3704 5.9936 5.9936 5.9975 5.9975 7.3347 7.3347 7.3606 7.3606 9.2061 9.2061 9.2164 9.2164 10.0922 10.0922 10.1426 10.1426 k = 0.0197 0.0546 0.7306 ( 3762 PWs) bands (ev): -13.9958 -13.9958 -13.9958 -13.9958 -13.9582 -13.9582 -13.9579 -13.9579 -12.9701 -12.9701 -12.9692 -12.9692 -12.9350 -12.9350 -12.9347 -12.9347 -12.9155 -12.9155 -12.9147 -12.9147 -4.4361 -4.4361 -4.4361 -4.4361 0.9988 0.9988 0.9990 0.9990 4.3667 4.3667 4.3709 4.3709 6.0364 6.0364 6.0394 6.0394 7.4044 7.4044 7.4249 7.4249 9.1585 9.1585 9.1671 9.1671 10.0195 10.0195 10.0591 10.0591 k = 0.0131 0.0364 0.7306 ( 3770 PWs) bands (ev): -13.9958 -13.9958 -13.9958 -13.9958 -13.9581 -13.9581 -13.9580 -13.9580 -12.9699 -12.9699 -12.9693 -12.9693 -12.9349 -12.9349 -12.9347 -12.9347 -12.9154 -12.9154 -12.9149 -12.9149 -4.4388 -4.4388 -4.4388 -4.4388 0.9937 0.9937 0.9939 0.9939 4.3681 4.3681 4.3709 4.3709 6.0688 6.0688 6.0708 6.0708 7.4570 7.4570 7.4712 7.4712 9.1259 9.1259 9.1322 9.1322 9.9658 9.9658 9.9931 9.9931 k = 0.0066 0.0182 0.7306 ( 3770 PWs) bands (ev): -13.9958 -13.9958 -13.9958 -13.9958 -13.9581 -13.9581 -13.9580 -13.9580 -12.9698 -12.9698 -12.9695 -12.9695 -12.9349 -12.9349 -12.9348 -12.9348 -12.9153 -12.9153 -12.9150 -12.9150 -4.4405 -4.4405 -4.4404 -4.4404 0.9907 0.9907 0.9908 0.9908 4.3692 4.3692 4.3706 4.3706 6.0891 6.0891 6.0901 6.0901 7.4908 7.4908 7.4981 7.4981 9.1077 9.1077 9.1111 9.1111 9.9346 9.9346 9.9486 9.9486 k = 0.0000 0.0000 0.7306 ( 3762 PWs) bands (ev): -13.9958 -13.9958 -13.9958 -13.9958 -13.9581 -13.9581 -13.9581 -13.9581 -12.9696 -12.9696 -12.9696 -12.9696 -12.9348 -12.9348 -12.9348 -12.9348 -12.9152 -12.9152 -12.9152 -12.9152 -4.4410 -4.4410 -4.4410 -4.4410 0.9897 0.9897 0.9897 0.9897 4.3700 4.3700 4.3700 4.3700 6.0963 6.0963 6.0963 6.0963 7.5046 7.5046 7.5046 7.5046 9.1030 9.1030 9.1030 9.1030 9.9286 9.9286 9.9286 9.9286 k = 0.0000 0.0000 0.7306 ( 3762 PWs) bands (ev): -13.9958 -13.9958 -13.9958 -13.9958 -13.9581 -13.9581 -13.9581 -13.9581 -12.9696 -12.9696 -12.9696 -12.9696 -12.9348 -12.9348 -12.9348 -12.9348 -12.9152 -12.9152 -12.9152 -12.9152 -4.4410 -4.4410 -4.4410 -4.4410 0.9897 0.9897 0.9897 0.9897 4.3700 4.3700 4.3700 4.3700 6.0963 6.0963 6.0963 6.0963 7.5046 7.5046 7.5046 7.5046 9.1030 9.1030 9.1030 9.1030 9.9286 9.9286 9.9286 9.9286 k = 0.0000 0.0000 0.7113 ( 3766 PWs) bands (ev): -13.9959 -13.9959 -13.9957 -13.9957 -13.9584 -13.9584 -13.9578 -13.9578 -12.9698 -12.9698 -12.9695 -12.9695 -12.9355 -12.9355 -12.9342 -12.9342 -12.9156 -12.9156 -12.9147 -12.9147 -4.4818 -4.4818 -4.4009 -4.4009 0.9629 0.9629 1.0202 1.0202 4.3032 4.3032 4.4366 4.4366 6.0645 6.0645 6.1247 6.1247 7.4853 7.4853 7.5155 7.5155 9.1028 9.1028 9.1159 9.1159 9.8947 9.8947 9.9709 9.9709 k = 0.0000 0.0000 0.6921 ( 3774 PWs) bands (ev): -13.9960 -13.9960 -13.9956 -13.9956 -13.9586 -13.9586 -13.9575 -13.9575 -12.9699 -12.9699 -12.9693 -12.9693 -12.9361 -12.9361 -12.9335 -12.9335 -12.9161 -12.9161 -12.9143 -12.9143 -4.5232 -4.5232 -4.3617 -4.3617 0.9400 0.9400 1.0543 1.0543 4.2364 4.2364 4.5028 4.5028 6.0296 6.0296 6.1493 6.1493 7.4585 7.4585 7.5174 7.5174 9.1154 9.1154 9.1408 9.1408 9.8695 9.8695 10.0210 10.0210 k = 0.0000 0.0000 0.6729 ( 3780 PWs) bands (ev): -13.9961 -13.9961 -13.9955 -13.9955 -13.9589 -13.9589 -13.9572 -13.9572 -12.9701 -12.9701 -12.9692 -12.9692 -12.9367 -12.9367 -12.9329 -12.9329 -12.9166 -12.9166 -12.9139 -12.9139 -4.5651 -4.5651 -4.3234 -4.3234 0.9213 0.9213 1.0919 1.0919 4.1702 4.1702 4.5680 4.5680 5.9919 5.9919 6.1698 6.1698 7.4256 7.4256 7.5103 7.5103 9.1403 9.1403 9.1770 9.1770 9.8532 9.8532 10.0787 10.0787 k = 0.0000 0.0000 0.6537 ( 3772 PWs) bands (ev): -13.9962 -13.9962 -13.9954 -13.9954 -13.9593 -13.9593 -13.9570 -13.9570 -12.9703 -12.9703 -12.9690 -12.9690 -12.9374 -12.9374 -12.9322 -12.9322 -12.9170 -12.9170 -12.9135 -12.9135 -4.6073 -4.6073 -4.2863 -4.2863 0.9066 0.9066 1.1326 1.1326 4.1046 4.1046 4.6319 4.6319 5.9518 5.9518 6.1863 6.1863 7.3879 7.3879 7.4947 7.4947 9.1767 9.1767 9.2234 9.2234 9.8461 9.8461 10.1434 10.1434 k = 0.0000 0.0000 0.6344 ( 3772 PWs) bands (ev): -13.9963 -13.9963 -13.9953 -13.9953 -13.9596 -13.9596 -13.9567 -13.9567 -12.9704 -12.9704 -12.9689 -12.9689 -12.9380 -12.9380 -12.9316 -12.9316 -12.9175 -12.9175 -12.9131 -12.9131 -4.6496 -4.6496 -4.2505 -4.2505 0.8964 0.8964 1.1763 1.1763 4.0399 4.0399 4.6941 4.6941 5.9096 5.9096 6.1984 6.1984 7.3469 7.3469 7.4713 7.4713 9.2233 9.2233 9.2791 9.2791 9.8485 9.8485 10.2149 10.2149 k = 0.0000 0.0000 0.6152 ( 3770 PWs) bands (ev): -13.9965 -13.9965 -13.9952 -13.9952 -13.9599 -13.9599 -13.9565 -13.9565 -12.9706 -12.9706 -12.9688 -12.9688 -12.9386 -12.9386 -12.9309 -12.9309 -12.9180 -12.9180 -12.9127 -12.9127 -4.6920 -4.6920 -4.2159 -4.2159 0.8904 0.8904 1.2228 1.2228 3.9764 3.9764 4.7539 4.7539 5.8657 5.8657 6.2062 6.2062 7.3040 7.3040 7.4412 7.4412 9.2785 9.2785 9.3431 9.3431 9.8606 9.8606 10.2926 10.2926 k = 0.0000 0.0000 0.5960 ( 3770 PWs) bands (ev): -13.9966 -13.9966 -13.9951 -13.9951 -13.9602 -13.9602 -13.9563 -13.9563 -12.9708 -12.9708 -12.9687 -12.9687 -12.9392 -12.9392 -12.9303 -12.9303 -12.9186 -12.9186 -12.9124 -12.9124 -4.7344 -4.7344 -4.1828 -4.1828 0.8890 0.8890 1.2717 1.2717 3.9142 3.9142 4.8109 4.8109 5.8206 5.8206 6.2098 6.2098 7.2606 7.2606 7.4056 7.4056 9.3409 9.3409 9.4145 9.4145 9.8826 9.8826 10.3763 10.3763 k = 0.0000 0.0000 0.5768 ( 3774 PWs) bands (ev): -13.9967 -13.9967 -13.9951 -13.9951 -13.9605 -13.9605 -13.9561 -13.9561 -12.9709 -12.9709 -12.9686 -12.9686 -12.9397 -12.9397 -12.9297 -12.9297 -12.9191 -12.9191 -12.9120 -12.9120 -4.7765 -4.7765 -4.1513 -4.1513 0.8921 0.8921 1.3230 1.3230 3.8536 3.8536 4.8645 4.8645 5.7745 5.7745 6.2092 6.2092 7.2179 7.2179 7.3654 7.3654 9.4089 9.4089 9.4922 9.4922 9.9145 9.9145 10.4654 10.4654 k = 0.0000 0.0000 0.5575 ( 3770 PWs) bands (ev): -13.9968 -13.9968 -13.9950 -13.9950 -13.9608 -13.9608 -13.9558 -13.9558 -12.9711 -12.9711 -12.9685 -12.9685 -12.9403 -12.9403 -12.9291 -12.9291 -12.9196 -12.9196 -12.9117 -12.9117 -4.8182 -4.8182 -4.1214 -4.1214 0.8997 0.8997 1.3763 1.3763 3.7949 3.7949 4.9140 4.9140 5.7277 5.7277 6.2047 6.2047 7.1769 7.1769 7.3216 7.3216 9.4815 9.4815 9.5753 9.5753 9.9566 9.9566 10.5597 10.5597 k = 0.0000 0.0000 0.5383 ( 3766 PWs) bands (ev): -13.9970 -13.9970 -13.9949 -13.9949 -13.9611 -13.9611 -13.9557 -13.9557 -12.9712 -12.9712 -12.9685 -12.9685 -12.9408 -12.9408 -12.9286 -12.9286 -12.9201 -12.9201 -12.9114 -12.9114 -4.8596 -4.8596 -4.0931 -4.0931 0.9118 0.9118 1.4313 1.4313 3.7381 3.7381 4.9587 4.9587 5.6806 5.6806 6.1965 6.1965 7.1386 7.1386 7.2753 7.2753 9.5577 9.5577 9.6625 9.6625 10.0090 10.0090 10.6588 10.6588 k = 0.0000 0.0000 0.5191 ( 3770 PWs) bands (ev): -13.9971 -13.9971 -13.9949 -13.9949 -13.9615 -13.9615 -13.9555 -13.9555 -12.9714 -12.9714 -12.9684 -12.9684 -12.9413 -12.9413 -12.9281 -12.9281 -12.9205 -12.9205 -12.9110 -12.9110 -4.9003 -4.9003 -4.0665 -4.0665 0.9284 0.9284 1.4877 1.4877 3.6834 3.6834 4.9979 4.9979 5.6334 5.6334 6.1848 6.1848 7.1036 7.1036 7.2273 7.2273 9.6368 9.6368 9.7527 9.7527 10.0719 10.0719 10.7622 10.7622 k = 0.0000 0.0000 0.4999 ( 3758 PWs) bands (ev): -13.9972 -13.9972 -13.9948 -13.9948 -13.9618 -13.9618 -13.9553 -13.9553 -12.9715 -12.9715 -12.9684 -12.9684 -12.9418 -12.9418 -12.9276 -12.9276 -12.9210 -12.9210 -12.9107 -12.9107 -4.9404 -4.9404 -4.0417 -4.0417 0.9494 0.9494 1.5452 1.5452 3.6312 3.6312 5.0310 5.0310 5.5865 5.5865 6.1702 6.1702 7.0725 7.0725 7.1786 7.1786 9.7184 9.7184 9.8446 9.8446 10.1453 10.1453 10.8697 10.8697 k = 0.0000 0.0000 0.4806 ( 3766 PWs) bands (ev): -13.9973 -13.9973 -13.9947 -13.9947 -13.9621 -13.9621 -13.9551 -13.9551 -12.9717 -12.9717 -12.9684 -12.9684 -12.9423 -12.9423 -12.9272 -12.9272 -12.9214 -12.9214 -12.9104 -12.9104 -4.9797 -4.9797 -4.0186 -4.0186 0.9748 0.9748 1.6034 1.6034 3.5816 3.5816 5.0574 5.0574 5.5401 5.5401 6.1528 6.1528 7.0447 7.0447 7.1306 7.1306 9.8020 9.8020 9.9375 9.9375 10.2289 10.2289 10.9809 10.9809 k = 0.0000 0.0000 0.4614 ( 3764 PWs) bands (ev): -13.9975 -13.9975 -13.9947 -13.9947 -13.9624 -13.9624 -13.9550 -13.9550 -12.9718 -12.9718 -12.9684 -12.9684 -12.9428 -12.9428 -12.9269 -12.9269 -12.9217 -12.9217 -12.9101 -12.9101 -5.0182 -5.0182 -3.9972 -3.9972 1.0044 1.0044 1.6620 1.6620 3.5349 3.5349 5.0766 5.0766 5.4945 5.4945 6.1331 6.1331 7.0181 7.0181 7.0867 7.0867 9.8874 9.8874 10.0307 10.0307 10.3223 10.3223 11.0954 11.0954 k = 0.0000 0.0000 0.4422 ( 3768 PWs) bands (ev): -13.9976 -13.9976 -13.9946 -13.9946 -13.9627 -13.9627 -13.9548 -13.9548 -12.9719 -12.9719 -12.9684 -12.9684 -12.9433 -12.9433 -12.9267 -12.9267 -12.9220 -12.9220 -12.9098 -12.9098 -5.0556 -5.0556 -3.9776 -3.9776 1.0380 1.0380 1.7206 1.7206 3.4912 3.4912 5.0882 5.0882 5.4498 5.4498 6.1115 6.1115 6.9862 6.9862 7.0536 7.0536 9.9744 9.9744 10.1241 10.1241 10.4244 10.4244 11.2130 11.2130 k = 0.0000 0.0000 0.4230 ( 3773 PWs) bands (ev): -13.9977 -13.9977 -13.9946 -13.9946 -13.9630 -13.9630 -13.9547 -13.9547 -12.9720 -12.9720 -12.9684 -12.9684 -12.9437 -12.9437 -12.9267 -12.9267 -12.9221 -12.9221 -12.9095 -12.9095 -5.0921 -5.0921 -3.9596 -3.9596 1.0756 1.0756 1.7787 1.7787 3.4509 3.4509 5.0921 5.0921 5.4062 5.4062 6.0883 6.0883 6.9446 6.9446 7.0363 7.0363 10.0629 10.0629 10.2179 10.2179 10.5341 10.5341 11.3331 11.3331 k = 0.0000 0.0000 0.4037 ( 3771 PWs) bands (ev): -13.9978 -13.9978 -13.9946 -13.9946 -13.9633 -13.9633 -13.9546 -13.9546 -12.9721 -12.9721 -12.9684 -12.9684 -12.9441 -12.9441 -12.9267 -12.9267 -12.9221 -12.9221 -12.9092 -12.9092 -5.1274 -5.1274 -3.9433 -3.9433 1.1168 1.1168 1.8359 1.8359 3.4142 3.4142 5.0883 5.0883 5.3640 5.3640 6.0639 6.0639 6.8971 6.8971 7.0310 7.0310 10.1528 10.1528 10.3121 10.3121 10.6502 10.6502 11.4555 11.4555 k = 0.0000 0.0000 0.3845 ( 3771 PWs) bands (ev): -13.9980 -13.9980 -13.9945 -13.9945 -13.9635 -13.9635 -13.9545 -13.9545 -12.9722 -12.9722 -12.9685 -12.9685 -12.9445 -12.9445 -12.9269 -12.9269 -12.9221 -12.9221 -12.9089 -12.9089 -5.1615 -5.1615 -3.9286 -3.9286 1.1614 1.1614 1.8916 1.8916 3.3815 3.3815 5.0771 5.0771 5.3233 5.3233 6.0387 6.0387 6.8476 6.8476 7.0337 7.0337 10.2439 10.2439 10.4069 10.4069 10.7714 10.7714 11.5795 11.5795 k = 0.0000 0.0000 0.3653 ( 3779 PWs) bands (ev): -13.9981 -13.9981 -13.9945 -13.9945 -13.9638 -13.9638 -13.9543 -13.9543 -12.9723 -12.9723 -12.9686 -12.9686 -12.9449 -12.9449 -12.9272 -12.9272 -12.9219 -12.9219 -12.9085 -12.9085 -5.1944 -5.1944 -3.9153 -3.9153 1.2091 1.2091 1.9453 1.9453 3.3529 3.3529 5.0590 5.0590 5.2840 5.2840 6.0130 6.0130 6.7975 6.7975 7.0424 7.0424 10.3361 10.3361 10.5024 10.5024 10.8968 10.8968 11.7046 11.7046 k = 0.0000 0.0000 0.3461 ( 3771 PWs) bands (ev): -13.9982 -13.9982 -13.9945 -13.9945 -13.9641 -13.9641 -13.9543 -13.9543 -12.9724 -12.9724 -12.9686 -12.9686 -12.9452 -12.9452 -12.9275 -12.9275 -12.9218 -12.9218 -12.9082 -12.9082 -5.2259 -5.2259 -3.9035 -3.9035 1.2597 1.2597 1.9965 1.9965 3.3289 3.3289 5.0348 5.0348 5.2461 5.2461 5.9871 5.9871 6.7478 6.7478 7.0560 7.0560 10.4291 10.4291 10.5984 10.5984 11.0255 11.0255 11.8299 11.8299 k = 0.0000 0.0000 0.3268 ( 3765 PWs) bands (ev): -13.9983 -13.9983 -13.9944 -13.9944 -13.9643 -13.9643 -13.9542 -13.9542 -12.9724 -12.9724 -12.9687 -12.9687 -12.9455 -12.9455 -12.9279 -12.9279 -12.9216 -12.9216 -12.9079 -12.9079 -5.2561 -5.2561 -3.8930 -3.8930 1.3127 1.3127 2.0445 2.0445 3.3098 3.3098 5.0052 5.0052 5.2096 5.2096 5.9612 5.9612 6.6986 6.6986 7.0734 7.0734 10.5227 10.5227 10.6947 10.6947 11.1569 11.1569 11.9538 11.9538 k = 0.0000 0.0000 0.3076 ( 3773 PWs) bands (ev): -13.9985 -13.9985 -13.9944 -13.9944 -13.9646 -13.9646 -13.9541 -13.9541 -12.9725 -12.9725 -12.9688 -12.9688 -12.9459 -12.9459 -12.9283 -12.9283 -12.9214 -12.9214 -12.9076 -12.9076 -5.2847 -5.2847 -3.8838 -3.8838 1.3679 1.3679 2.0889 2.0889 3.2956 3.2956 4.9712 4.9712 5.1745 5.1745 5.9357 5.9357 6.6504 6.6504 7.0938 7.0938 10.6167 10.6167 10.7910 10.7910 11.2902 11.2902 12.0736 12.0736 k = 0.0000 0.0000 0.2884 ( 3771 PWs) bands (ev): -13.9986 -13.9986 -13.9944 -13.9944 -13.9648 -13.9648 -13.9540 -13.9540 -12.9725 -12.9725 -12.9690 -12.9690 -12.9461 -12.9461 -12.9286 -12.9286 -12.9212 -12.9212 -12.9073 -12.9073 -5.3119 -5.3119 -3.8757 -3.8757 1.4247 1.4247 2.1293 2.1293 3.2867 3.2867 4.9335 4.9335 5.1408 5.1408 5.9107 5.9107 6.6034 6.6034 7.1162 7.1162 10.7107 10.7107 10.8869 10.8869 11.4247 11.4247 12.1818 12.1818 k = 0.0000 0.0000 0.2692 ( 3771 PWs) bands (ev): -13.9987 -13.9987 -13.9943 -13.9943 -13.9650 -13.9650 -13.9539 -13.9539 -12.9725 -12.9725 -12.9691 -12.9691 -12.9464 -12.9464 -12.9290 -12.9290 -12.9210 -12.9210 -12.9070 -12.9070 -5.3376 -5.3376 -3.8687 -3.8687 1.4827 1.4827 2.1652 2.1652 3.2830 3.2830 4.8928 4.8928 5.1086 5.1086 5.8865 5.8865 6.5578 6.5578 7.1398 7.1398 10.8044 10.8044 10.9819 10.9819 11.5598 11.5598 12.2592 12.2592 k = 0.0000 0.0000 0.2499 ( 3775 PWs) bands (ev): -13.9988 -13.9988 -13.9943 -13.9943 -13.9652 -13.9652 -13.9539 -13.9539 -12.9726 -12.9726 -12.9692 -12.9692 -12.9467 -12.9467 -12.9294 -12.9294 -12.9208 -12.9208 -12.9067 -12.9067 -5.3616 -5.3616 -3.8627 -3.8627 1.5414 1.5414 2.1964 2.1964 3.2844 3.2844 4.8500 4.8500 5.0780 5.0780 5.8633 5.8633 6.5137 6.5137 7.1641 7.1641 10.8973 10.8973 11.0755 11.0755 11.6945 11.6945 12.2819 12.2819 k = 0.0000 0.0000 0.2307 ( 3783 PWs) bands (ev): -13.9989 -13.9989 -13.9943 -13.9943 -13.9654 -13.9654 -13.9538 -13.9538 -12.9725 -12.9725 -12.9694 -12.9694 -12.9469 -12.9469 -12.9298 -12.9298 -12.9207 -12.9207 -12.9064 -12.9064 -5.3840 -5.3840 -3.8575 -3.8575 1.6002 1.6002 2.2230 2.2230 3.2905 3.2905 4.8057 4.8057 5.0493 5.0493 5.8411 5.8411 6.4714 6.4714 7.1883 7.1883 10.9889 10.9889 11.1671 11.1671 11.8274 11.8274 12.2657 12.2657 k = 0.0000 0.0000 0.2115 ( 3795 PWs) bands (ev): -13.9990 -13.9990 -13.9943 -13.9943 -13.9656 -13.9656 -13.9538 -13.9538 -12.9725 -12.9725 -12.9695 -12.9695 -12.9471 -12.9471 -12.9301 -12.9301 -12.9205 -12.9205 -12.9061 -12.9061 -5.4048 -5.4048 -3.8531 -3.8531 1.6586 1.6586 2.2450 2.2450 3.3009 3.3009 4.7606 4.7606 5.0225 5.0225 5.8202 5.8202 6.4311 6.4311 7.2120 7.2120 11.0787 11.0787 11.2560 11.2560 11.9552 11.9552 12.2379 12.2379 k = 0.0000 0.0000 0.1923 ( 3787 PWs) bands (ev): -13.9991 -13.9991 -13.9943 -13.9943 -13.9658 -13.9658 -13.9537 -13.9537 -12.9725 -12.9725 -12.9697 -12.9697 -12.9473 -12.9473 -12.9304 -12.9304 -12.9204 -12.9204 -12.9058 -12.9058 -5.4238 -5.4238 -3.8494 -3.8494 1.7159 1.7159 2.2627 2.2627 3.3147 3.3147 4.7153 4.7153 4.9978 4.9978 5.8007 5.8007 6.3931 6.3931 7.2347 7.2347 11.1657 11.1657 11.3413 11.3413 12.0648 12.0648 12.2214 12.2214 k = 0.0000 0.0000 0.1730 ( 3779 PWs) bands (ev): -13.9991 -13.9991 -13.9943 -13.9943 -13.9659 -13.9659 -13.9537 -13.9537 -12.9725 -12.9725 -12.9698 -12.9698 -12.9475 -12.9475 -12.9307 -12.9307 -12.9203 -12.9203 -12.9056 -12.9056 -5.4412 -5.4412 -3.8463 -3.8463 1.7713 1.7713 2.2767 2.2767 3.3312 3.3312 4.6707 4.6707 4.9752 4.9752 5.7828 5.7828 6.3575 6.3575 7.2560 7.2560 11.2493 11.2493 11.4222 11.4222 12.1044 12.1044 12.2692 12.2692 k = 0.0000 0.0000 0.1538 ( 3783 PWs) bands (ev): -13.9992 -13.9992 -13.9943 -13.9943 -13.9660 -13.9660 -13.9537 -13.9537 -12.9724 -12.9724 -12.9700 -12.9700 -12.9476 -12.9476 -12.9310 -12.9310 -12.9202 -12.9202 -12.9053 -12.9053 -5.4567 -5.4567 -3.8437 -3.8437 1.8243 1.8243 2.2873 2.2873 3.3493 3.3493 4.6276 4.6276 4.9549 4.9549 5.7664 5.7664 6.3247 6.3247 7.2756 7.2756 11.3284 11.3284 11.4977 11.4977 12.0844 12.0844 12.3584 12.3584 k = 0.0000 0.0000 0.1346 ( 3793 PWs) bands (ev): -13.9993 -13.9993 -13.9943 -13.9943 -13.9662 -13.9662 -13.9536 -13.9536 -12.9724 -12.9724 -12.9702 -12.9702 -12.9478 -12.9478 -12.9312 -12.9312 -12.9201 -12.9201 -12.9051 -12.9051 -5.4705 -5.4705 -3.8417 -3.8417 1.8738 1.8738 2.2953 2.2953 3.3681 3.3681 4.5867 4.5867 4.9369 4.9369 5.7517 5.7517 6.2948 6.2948 7.2932 7.2932 11.4019 11.4019 11.5668 11.5668 12.0534 12.0534 12.3650 12.3650 k = 0.0000 0.0000 0.1154 ( 3797 PWs) bands (ev): -13.9993 -13.9993 -13.9943 -13.9943 -13.9663 -13.9663 -13.9536 -13.9536 -12.9723 -12.9723 -12.9703 -12.9703 -12.9479 -12.9479 -12.9314 -12.9314 -12.9201 -12.9201 -12.9049 -12.9049 -5.4825 -5.4825 -3.8400 -3.8400 1.9191 1.9191 2.3010 2.3010 3.3866 3.3866 4.5488 4.5488 4.9212 4.9212 5.7388 5.7388 6.2683 6.2683 7.3088 7.3088 11.4687 11.4687 11.6282 11.6282 12.0217 12.0217 12.3388 12.3388 k = 0.0000 0.0000 0.0961 ( 3801 PWs) bands (ev): -13.9994 -13.9994 -13.9943 -13.9943 -13.9664 -13.9664 -13.9536 -13.9536 -12.9722 -12.9722 -12.9705 -12.9705 -12.9480 -12.9480 -12.9316 -12.9316 -12.9200 -12.9200 -12.9048 -12.9048 -5.4927 -5.4927 -3.8387 -3.8387 1.9594 1.9594 2.3049 2.3049 3.4040 3.4040 4.5149 4.5149 4.9079 4.9079 5.7278 5.7278 6.2453 6.2453 7.3222 7.3222 11.5275 11.5275 11.6811 11.6811 11.9920 11.9920 12.3178 12.3178 k = 0.0000 0.0000 0.0769 ( 3807 PWs) bands (ev): -13.9994 -13.9994 -13.9943 -13.9943 -13.9664 -13.9664 -13.9536 -13.9536 -12.9721 -12.9721 -12.9706 -12.9706 -12.9480 -12.9480 -12.9317 -12.9317 -12.9200 -12.9200 -12.9046 -12.9046 -5.5010 -5.5010 -3.8376 -3.8376 1.9938 1.9938 2.3076 2.3076 3.4193 3.4193 4.4858 4.4858 4.8970 4.8970 5.7187 5.7187 6.2260 6.2260 7.3332 7.3332 11.5773 11.5773 11.7247 11.7247 11.9655 11.9655 12.3046 12.3046 k = 0.0000 0.0000 0.0577 ( 3803 PWs) bands (ev): -13.9995 -13.9995 -13.9942 -13.9942 -13.9665 -13.9665 -13.9536 -13.9536 -12.9720 -12.9720 -12.9707 -12.9707 -12.9481 -12.9481 -12.9318 -12.9318 -12.9200 -12.9200 -12.9045 -12.9045 -5.5075 -5.5075 -3.8369 -3.8369 2.0215 2.0215 2.3093 2.3093 3.4320 3.4320 4.4622 4.4622 4.8885 4.8885 5.7116 5.7116 6.2108 6.2108 7.3418 7.3418 11.6171 11.6171 11.7589 11.7589 11.9427 11.9427 12.2981 12.2981 k = 0.0000 0.0000 0.0385 ( 3803 PWs) bands (ev): -13.9995 -13.9995 -13.9942 -13.9942 -13.9665 -13.9665 -13.9536 -13.9536 -12.9720 -12.9720 -12.9709 -12.9709 -12.9482 -12.9482 -12.9319 -12.9319 -12.9199 -12.9199 -12.9045 -12.9045 -5.5122 -5.5122 -3.8364 -3.8364 2.0418 2.0418 2.3104 2.3104 3.4415 3.4415 4.4448 4.4448 4.8824 4.8824 5.7065 5.7065 6.1998 6.1998 7.3480 7.3480 11.6460 11.6460 11.7837 11.7837 11.9247 11.9247 12.2962 12.2962 k = 0.0000 0.0000 0.0192 ( 3807 PWs) bands (ev): -13.9995 -13.9995 -13.9942 -13.9942 -13.9666 -13.9666 -13.9536 -13.9536 -12.9719 -12.9719 -12.9709 -12.9709 -12.9482 -12.9482 -12.9320 -12.9320 -12.9199 -12.9199 -12.9044 -12.9044 -5.5150 -5.5150 -3.8361 -3.8361 2.0542 2.0542 2.3109 2.3109 3.4474 3.4474 4.4342 4.4342 4.8788 4.8788 5.7034 5.7034 6.1931 6.1931 7.3517 7.3517 11.6637 11.6637 11.7992 11.7992 11.9127 11.9127 12.2963 12.2963 k = 0.0000 0.0000 0.0000 ( 3807 PWs) bands (ev): -13.9995 -13.9995 -13.9942 -13.9942 -13.9666 -13.9666 -13.9536 -13.9536 -12.9719 -12.9719 -12.9710 -12.9710 -12.9482 -12.9482 -12.9320 -12.9320 -12.9199 -12.9199 -12.9044 -12.9044 -5.5159 -5.5159 -3.8360 -3.8360 2.0584 2.0584 2.3111 2.3111 3.4493 3.4493 4.4306 4.4306 4.8776 4.8776 5.7024 5.7024 6.1909 6.1909 7.3529 7.3529 11.6696 11.6696 11.8046 11.8046 11.9083 11.9083 12.2966 12.2966 k = 0.0000 0.0000 0.0000 ( 3807 PWs) bands (ev): -13.9995 -13.9995 -13.9942 -13.9942 -13.9666 -13.9666 -13.9536 -13.9536 -12.9719 -12.9719 -12.9710 -12.9710 -12.9482 -12.9482 -12.9320 -12.9320 -12.9199 -12.9199 -12.9044 -12.9044 -5.5159 -5.5159 -3.8360 -3.8360 2.0584 2.0584 2.3111 2.3111 3.4493 3.4493 4.4306 4.4306 4.8776 4.8776 5.7024 5.7024 6.1909 6.1909 7.3529 7.3529 11.6696 11.6696 11.8046 11.8046 11.9083 11.9083 12.2966 12.2966 k =-0.0179 0.0065 0.0000 ( 3803 PWs) bands (ev): -13.9995 -13.9995 -13.9942 -13.9942 -13.9666 -13.9666 -13.9536 -13.9536 -12.9719 -12.9719 -12.9710 -12.9710 -12.9482 -12.9482 -12.9320 -12.9320 -12.9199 -12.9199 -12.9044 -12.9044 -5.5153 -5.5153 -3.8370 -3.8370 2.0210 2.0210 2.3515 2.3515 3.4504 3.4504 4.4314 4.4314 4.8757 4.8757 5.7046 5.7046 6.1897 6.1897 7.3531 7.3531 11.6687 11.6687 11.7915 11.7915 11.9151 11.9151 12.2895 12.2895 k =-0.0357 0.0129 0.0000 ( 3799 PWs) bands (ev): -13.9995 -13.9995 -13.9943 -13.9943 -13.9666 -13.9666 -13.9535 -13.9535 -12.9719 -12.9719 -12.9710 -12.9710 -12.9482 -12.9482 -12.9319 -12.9319 -12.9200 -12.9200 -12.9044 -12.9044 -5.5133 -5.5133 -3.8401 -3.8401 1.9432 1.9432 2.4379 2.4379 3.4538 3.4538 4.4338 4.4338 4.8704 4.8704 5.7111 5.7111 6.1859 6.1859 7.3535 7.3535 11.6656 11.6656 11.7601 11.7601 11.9275 11.9275 12.2690 12.2690 k =-0.0536 0.0194 0.0000 ( 3800 PWs) bands (ev): -13.9995 -13.9995 -13.9943 -13.9943 -13.9666 -13.9666 -13.9535 -13.9535 -12.9719 -12.9719 -12.9710 -12.9710 -12.9481 -12.9481 -12.9318 -12.9318 -12.9201 -12.9201 -12.9045 -12.9045 -5.5102 -5.5102 -3.8453 -3.8453 1.8554 1.8554 2.5397 2.5397 3.4599 3.4599 4.4378 4.4378 4.8618 4.8618 5.7216 5.7216 6.1797 6.1797 7.3542 7.3542 11.6595 11.6595 11.7196 11.7196 11.9363 11.9363 12.2373 12.2373 k =-0.0714 0.0258 0.0000 ( 3796 PWs) bands (ev): -13.9994 -13.9994 -13.9943 -13.9943 -13.9666 -13.9666 -13.9535 -13.9535 -12.9719 -12.9719 -12.9710 -12.9710 -12.9481 -12.9481 -12.9316 -12.9316 -12.9202 -12.9202 -12.9045 -12.9045 -5.5057 -5.5057 -3.8525 -3.8525 1.7665 1.7665 2.6470 2.6470 3.4694 3.4694 4.4435 4.4435 4.8502 4.8502 5.7358 5.7358 6.1712 6.1712 7.3551 7.3551 11.6458 11.6458 11.6766 11.6766 11.9384 11.9384 12.1966 12.1966 k =-0.0893 0.0323 0.0000 ( 3796 PWs) bands (ev): -13.9994 -13.9994 -13.9943 -13.9943 -13.9666 -13.9666 -13.9534 -13.9534 -12.9719 -12.9719 -12.9710 -12.9710 -12.9481 -12.9481 -12.9314 -12.9314 -12.9204 -12.9204 -12.9046 -12.9046 -5.5001 -5.5001 -3.8616 -3.8616 1.6793 1.6793 2.7556 2.7556 3.4839 3.4839 4.4506 4.4506 4.8362 4.8362 5.7532 5.7532 6.1603 6.1603 7.3562 7.3562 11.6053 11.6053 11.6494 11.6494 11.9339 11.9339 12.1483 12.1483 k =-0.1071 0.0387 0.0000 ( 3792 PWs) bands (ev): -13.9994 -13.9994 -13.9944 -13.9944 -13.9666 -13.9666 -13.9534 -13.9534 -12.9719 -12.9719 -12.9710 -12.9710 -12.9480 -12.9480 -12.9312 -12.9312 -12.9206 -12.9206 -12.9047 -12.9047 -5.4933 -5.4933 -3.8726 -3.8726 1.5948 1.5948 2.8620 2.8620 3.5055 3.5055 4.4592 4.4592 4.8201 4.8201 5.7733 5.7733 6.1473 6.1473 7.3575 7.3575 11.5417 11.5417 11.6315 11.6315 11.9247 11.9247 12.0946 12.0946 k =-0.1250 0.0452 0.0000 ( 3796 PWs) bands (ev): -13.9993 -13.9993 -13.9944 -13.9944 -13.9666 -13.9666 -13.9533 -13.9533 -12.9719 -12.9719 -12.9710 -12.9710 -12.9479 -12.9479 -12.9309 -12.9309 -12.9208 -12.9208 -12.9047 -12.9047 -5.4853 -5.4853 -3.8853 -3.8853 1.5137 1.5137 2.9622 2.9622 3.5377 3.5377 4.4692 4.4692 4.8026 4.8026 5.7954 5.7954 6.1322 6.1322 7.3590 7.3590 11.4626 11.4626 11.6124 11.6124 11.9109 11.9109 12.0405 12.0405 k =-0.1429 0.0516 0.0000 ( 3804 PWs) bands (ev): -13.9992 -13.9992 -13.9945 -13.9945 -13.9667 -13.9667 -13.9532 -13.9532 -12.9719 -12.9719 -12.9710 -12.9710 -12.9478 -12.9478 -12.9306 -12.9306 -12.9210 -12.9210 -12.9049 -12.9049 -5.4762 -5.4762 -3.8998 -3.8998 1.4362 1.4362 3.0510 3.0510 3.5852 3.5852 4.4805 4.4805 4.7840 4.7840 5.8189 5.8189 6.1155 6.1155 7.3604 7.3604 11.3661 11.3661 11.5923 11.5923 11.8866 11.8866 11.9975 11.9975 k =-0.1607 0.0581 0.0000 ( 3796 PWs) bands (ev): -13.9992 -13.9992 -13.9946 -13.9946 -13.9667 -13.9667 -13.9532 -13.9532 -12.9720 -12.9720 -12.9710 -12.9710 -12.9477 -12.9477 -12.9302 -12.9302 -12.9212 -12.9212 -12.9050 -12.9050 -5.4661 -5.4661 -3.9157 -3.9157 1.3625 1.3625 3.1236 3.1236 3.6524 3.6524 4.4929 4.4929 4.7650 4.7650 5.8431 5.8431 6.0973 6.0973 7.3619 7.3619 11.2508 11.2508 11.5726 11.5726 11.8441 11.8441 11.9778 11.9778 k =-0.1786 0.0645 0.0000 ( 3792 PWs) bands (ev): -13.9991 -13.9991 -13.9946 -13.9946 -13.9667 -13.9667 -13.9531 -13.9531 -12.9720 -12.9720 -12.9710 -12.9710 -12.9476 -12.9476 -12.9299 -12.9299 -12.9215 -12.9215 -12.9051 -12.9051 -5.4550 -5.4550 -3.9331 -3.9331 1.2928 1.2928 3.1782 3.1782 3.7408 3.7408 4.5062 4.5062 4.7460 4.7460 5.8673 5.8673 6.0783 6.0783 7.3633 7.3633 11.1171 11.1171 11.5548 11.5548 11.7899 11.7899 11.9773 11.9773 k =-0.1964 0.0710 0.0000 ( 3788 PWs) bands (ev): -13.9990 -13.9990 -13.9947 -13.9947 -13.9667 -13.9667 -13.9530 -13.9530 -12.9720 -12.9720 -12.9710 -12.9710 -12.9475 -12.9475 -12.9295 -12.9295 -12.9218 -12.9218 -12.9053 -12.9053 -5.4430 -5.4430 -3.9518 -3.9518 1.2269 1.2269 3.2168 3.2168 3.8481 3.8481 4.5201 4.5201 4.7276 4.7276 5.8901 5.8901 6.0595 6.0595 7.3646 7.3646 10.9674 10.9674 11.5399 11.5399 11.7337 11.7337 11.9876 11.9876 k =-0.2143 0.0774 0.0000 ( 3786 PWs) bands (ev): -13.9989 -13.9989 -13.9948 -13.9948 -13.9667 -13.9667 -13.9529 -13.9529 -12.9720 -12.9720 -12.9710 -12.9710 -12.9473 -12.9473 -12.9292 -12.9292 -12.9220 -12.9220 -12.9054 -12.9054 -5.4302 -5.4302 -3.9715 -3.9715 1.1651 1.1651 3.2434 3.2434 3.9701 3.9701 4.5342 4.5342 4.7105 4.7105 5.9094 5.9094 6.0429 6.0429 7.3657 7.3657 10.8047 10.8047 11.5283 11.5283 11.6797 11.6797 12.0050 12.0050 k =-0.2321 0.0839 0.0000 ( 3788 PWs) bands (ev): -13.9989 -13.9989 -13.9949 -13.9949 -13.9668 -13.9668 -13.9528 -13.9528 -12.9720 -12.9720 -12.9710 -12.9710 -12.9472 -12.9472 -12.9289 -12.9289 -12.9222 -12.9222 -12.9056 -12.9056 -5.4168 -5.4168 -3.9920 -3.9920 1.1072 1.1072 3.2618 3.2618 4.1023 4.1023 4.5477 4.5477 4.6958 4.6958 5.9210 5.9210 6.0325 6.0325 7.3664 7.3664 10.6321 10.6321 11.5200 11.5200 11.6298 11.6298 12.0277 12.0277 k =-0.2500 0.0903 0.0000 ( 3784 PWs) bands (ev): -13.9988 -13.9988 -13.9950 -13.9950 -13.9668 -13.9668 -13.9527 -13.9527 -12.9720 -12.9720 -12.9710 -12.9710 -12.9470 -12.9470 -12.9286 -12.9286 -12.9224 -12.9224 -12.9058 -12.9058 -5.4028 -5.4028 -4.0133 -4.0133 1.0533 1.0533 3.2747 3.2747 4.2414 4.2414 4.5595 4.5595 4.6848 4.6848 5.9199 5.9199 6.0334 6.0334 7.3668 7.3668 10.4524 10.4524 11.5126 11.5126 11.5870 11.5870 12.0549 12.0549 k =-0.2679 0.0968 0.0000 ( 3778 PWs) bands (ev): -13.9986 -13.9986 -13.9951 -13.9951 -13.9668 -13.9668 -13.9526 -13.9526 -12.9720 -12.9720 -12.9710 -12.9710 -12.9468 -12.9468 -12.9283 -12.9283 -12.9226 -12.9226 -12.9060 -12.9060 -5.3883 -5.3883 -4.0349 -4.0349 1.0034 1.0034 3.2840 3.2840 4.3835 4.3835 4.5693 4.5693 4.6797 4.6797 5.9064 5.9064 6.0450 6.0450 7.3666 7.3666 10.2682 10.2682 11.4983 11.4983 11.5594 11.5594 12.0863 12.0863 k =-0.2857 0.1032 0.0000 ( 3780 PWs) bands (ev): -13.9985 -13.9985 -13.9952 -13.9952 -13.9668 -13.9668 -13.9525 -13.9525 -12.9720 -12.9720 -12.9710 -12.9710 -12.9466 -12.9466 -12.9282 -12.9282 -12.9226 -12.9226 -12.9063 -12.9063 -5.3736 -5.3736 -4.0568 -4.0568 0.9574 0.9574 3.2908 3.2908 4.5126 4.5126 4.5892 4.5892 4.6825 4.6825 5.8857 5.8857 6.0625 6.0625 7.3659 7.3659 10.0817 10.0817 11.4699 11.4699 11.5545 11.5545 12.1214 12.1214 k =-0.3036 0.1097 0.0000 ( 3778 PWs) bands (ev): -13.9984 -13.9984 -13.9953 -13.9953 -13.9669 -13.9669 -13.9525 -13.9525 -12.9720 -12.9720 -12.9710 -12.9710 -12.9464 -12.9464 -12.9281 -12.9281 -12.9226 -12.9226 -12.9065 -12.9065 -5.3588 -5.3588 -4.0786 -4.0786 0.9152 0.9152 3.2958 3.2958 4.5486 4.5486 4.6784 4.6784 4.7129 4.7129 5.8615 5.8615 6.0821 6.0821 7.3643 7.3643 9.8949 9.8949 11.4359 11.4359 11.5637 11.5637 12.1601 12.1601 k =-0.3214 0.1161 0.0000 ( 3770 PWs) bands (ev): -13.9983 -13.9983 -13.9954 -13.9954 -13.9669 -13.9669 -13.9524 -13.9524 -12.9720 -12.9720 -12.9711 -12.9711 -12.9462 -12.9462 -12.9281 -12.9281 -12.9225 -12.9225 -12.9067 -12.9067 -5.3441 -5.3441 -4.1000 -4.1000 0.8769 0.8769 3.2996 3.2996 4.5455 4.5455 4.7004 4.7004 4.8518 4.8518 5.8358 5.8358 6.1019 6.1019 7.3618 7.3618 9.7098 9.7098 11.4024 11.4024 11.5808 11.5808 12.2021 12.2021 k =-0.3393 0.1226 0.0000 ( 3776 PWs) bands (ev): -13.9982 -13.9982 -13.9955 -13.9955 -13.9669 -13.9669 -13.9523 -13.9523 -12.9720 -12.9720 -12.9711 -12.9711 -12.9460 -12.9460 -12.9282 -12.9282 -12.9224 -12.9224 -12.9069 -12.9069 -5.3297 -5.3297 -4.1208 -4.1208 0.8425 0.8425 3.3025 3.3025 4.5374 4.5374 4.7172 4.7172 5.0016 5.0016 5.8098 5.8098 6.1210 6.1210 7.3582 7.3582 9.5281 9.5281 11.3713 11.3713 11.6038 11.6038 12.2471 12.2471 k =-0.3571 0.1290 0.0000 ( 3772 PWs) bands (ev): -13.9981 -13.9981 -13.9957 -13.9957 -13.9669 -13.9669 -13.9522 -13.9522 -12.9720 -12.9720 -12.9711 -12.9711 -12.9458 -12.9458 -12.9283 -12.9283 -12.9221 -12.9221 -12.9072 -12.9072 -5.3158 -5.3158 -4.1406 -4.1406 0.8118 0.8118 3.3046 3.3046 4.5281 4.5281 4.7348 4.7348 5.1510 5.1510 5.7842 5.7842 6.1389 6.1389 7.3532 7.3532 9.3522 9.3522 11.3431 11.3431 11.6322 11.6322 12.2947 12.2947 k =-0.3750 0.1355 0.0000 ( 3784 PWs) bands (ev): -13.9980 -13.9980 -13.9958 -13.9958 -13.9669 -13.9669 -13.9522 -13.9522 -12.9720 -12.9720 -12.9711 -12.9711 -12.9456 -12.9456 -12.9285 -12.9285 -12.9219 -12.9219 -12.9074 -12.9074 -5.3027 -5.3027 -4.1591 -4.1591 0.7848 0.7848 3.3063 3.3063 4.5188 4.5188 4.7525 4.7525 5.2971 5.2971 5.7598 5.7598 6.1552 6.1552 7.3467 7.3467 9.1842 9.1842 11.3181 11.3181 11.6653 11.6653 12.3442 12.3442 k =-0.3929 0.1419 0.0000 ( 3774 PWs) bands (ev): -13.9978 -13.9978 -13.9959 -13.9959 -13.9669 -13.9669 -13.9521 -13.9521 -12.9720 -12.9720 -12.9711 -12.9711 -12.9454 -12.9454 -12.9287 -12.9287 -12.9216 -12.9216 -12.9076 -12.9076 -5.2907 -5.2907 -4.1760 -4.1760 0.7615 0.7615 3.3076 3.3076 4.5102 4.5102 4.7695 4.7695 5.4374 5.4374 5.7374 5.7374 6.1696 6.1696 7.3384 7.3384 9.0271 9.0271 11.2963 11.2963 11.7026 11.7026 12.3940 12.3940 k =-0.4107 0.1484 0.0000 ( 3780 PWs) bands (ev): -13.9977 -13.9977 -13.9960 -13.9960 -13.9669 -13.9669 -13.9521 -13.9521 -12.9720 -12.9720 -12.9711 -12.9711 -12.9453 -12.9453 -12.9288 -12.9288 -12.9214 -12.9214 -12.9078 -12.9078 -5.2799 -5.2799 -4.1910 -4.1910 0.7418 0.7418 3.3085 3.3085 4.5025 4.5025 4.7853 4.7853 5.5681 5.5681 5.7182 5.7182 6.1820 6.1820 7.3282 7.3282 8.8839 8.8839 11.2778 11.2778 11.7433 11.7433 12.4373 12.4373 k =-0.4286 0.1549 0.0000 ( 3776 PWs) bands (ev): -13.9976 -13.9976 -13.9961 -13.9961 -13.9669 -13.9669 -13.9520 -13.9520 -12.9720 -12.9720 -12.9711 -12.9711 -12.9451 -12.9451 -12.9290 -12.9290 -12.9212 -12.9212 -12.9080 -12.9080 -5.2707 -5.2707 -4.2037 -4.2037 0.7258 0.7258 3.3092 3.3092 4.4960 4.4960 4.7992 4.7992 5.6718 5.6718 5.7164 5.7164 6.1923 6.1923 7.3163 7.3163 8.7584 8.7584 11.2626 11.2626 11.7864 11.7864 12.4410 12.4410 k =-0.4464 0.1613 0.0000 ( 3788 PWs) bands (ev): -13.9975 -13.9975 -13.9963 -13.9963 -13.9669 -13.9669 -13.9520 -13.9520 -12.9720 -12.9720 -12.9711 -12.9711 -12.9450 -12.9450 -12.9292 -12.9292 -12.9210 -12.9210 -12.9081 -12.9081 -5.2632 -5.2632 -4.2140 -4.2140 0.7134 0.7134 3.3097 3.3097 4.4909 4.4909 4.8107 4.8107 5.6779 5.6779 5.7983 5.7983 6.2003 6.2003 7.3036 7.3036 8.6548 8.6548 11.2508 11.2508 11.8298 11.8298 12.3912 12.3912 k =-0.4643 0.1678 0.0000 ( 3788 PWs) bands (ev): -13.9974 -13.9974 -13.9963 -13.9963 -13.9670 -13.9670 -13.9520 -13.9520 -12.9720 -12.9720 -12.9711 -12.9711 -12.9449 -12.9449 -12.9293 -12.9293 -12.9208 -12.9208 -12.9082 -12.9082 -5.2577 -5.2577 -4.2215 -4.2215 0.7045 0.7045 3.3101 3.3101 4.4872 4.4872 4.8193 4.8193 5.6688 5.6688 5.8765 5.8765 6.2059 6.2059 7.2918 7.2918 8.5770 8.5770 11.2424 11.2424 11.8698 11.8698 12.3365 12.3365 k =-0.4821 0.1742 0.0000 ( 3782 PWs) bands (ev): -13.9973 -13.9973 -13.9964 -13.9964 -13.9670 -13.9670 -13.9519 -13.9519 -12.9720 -12.9720 -12.9711 -12.9711 -12.9449 -12.9449 -12.9293 -12.9293 -12.9207 -12.9207 -12.9083 -12.9083 -5.2544 -5.2544 -4.2261 -4.2261 0.6992 0.6992 3.3103 3.3103 4.4849 4.4849 4.8247 4.8247 5.6626 5.6626 5.9272 5.9272 6.2092 6.2092 7.2832 7.2832 8.5287 8.5287 11.2373 11.2373 11.9001 11.9001 12.2960 12.2960 k =-0.5000 0.1807 0.0000 ( 3784 PWs) bands (ev): -13.9973 -13.9973 -13.9964 -13.9964 -13.9670 -13.9670 -13.9519 -13.9519 -12.9720 -12.9720 -12.9711 -12.9711 -12.9448 -12.9448 -12.9294 -12.9294 -12.9207 -12.9207 -12.9083 -12.9083 -5.2532 -5.2532 -4.2276 -4.2276 0.6974 0.6974 3.3103 3.3103 4.4841 4.4841 4.8265 4.8265 5.6604 5.6604 5.9447 5.9447 6.2103 6.2103 7.2800 7.2800 8.5123 8.5123 11.2356 11.2356 11.9118 11.9118 12.2807 12.2807 k =-0.5000 0.1807 0.0000 ( 3784 PWs) bands (ev): -13.9973 -13.9973 -13.9964 -13.9964 -13.9670 -13.9670 -13.9519 -13.9519 -12.9720 -12.9720 -12.9711 -12.9711 -12.9448 -12.9448 -12.9294 -12.9294 -12.9207 -12.9207 -12.9083 -12.9083 -5.2532 -5.2532 -4.2276 -4.2276 0.6974 0.6974 3.3103 3.3103 4.4841 4.4841 4.8265 4.8265 5.6604 5.6604 5.9447 5.9447 6.2103 6.2103 7.2800 7.2800 8.5123 8.5123 11.2356 11.2356 11.9118 11.9118 12.2807 12.2807 k =-0.4934 0.1989-0.0000 ( 3788 PWs) bands (ev): -13.9973 -13.9973 -13.9964 -13.9964 -13.9670 -13.9670 -13.9519 -13.9519 -12.9720 -12.9720 -12.9711 -12.9711 -12.9448 -12.9448 -12.9293 -12.9293 -12.9207 -12.9207 -12.9083 -12.9083 -5.2524 -5.2524 -4.2273 -4.2273 0.6949 0.6949 3.3070 3.3070 4.4857 4.4857 4.8277 4.8277 5.6614 5.6614 5.9395 5.9395 6.2186 6.2186 7.2779 7.2779 8.5140 8.5140 11.2299 11.2299 11.9139 11.9139 12.2832 12.2832 k =-0.4868 0.2171-0.0000 ( 3784 PWs) bands (ev): -13.9973 -13.9973 -13.9964 -13.9964 -13.9669 -13.9669 -13.9519 -13.9519 -12.9720 -12.9720 -12.9711 -12.9711 -12.9448 -12.9448 -12.9293 -12.9293 -12.9207 -12.9207 -12.9083 -12.9083 -5.2498 -5.2498 -4.2263 -4.2263 0.6875 0.6875 3.2973 3.2973 4.4905 4.4905 4.8314 4.8314 5.6645 5.6645 5.9256 5.9256 6.2417 6.2417 7.2717 7.2717 8.5192 8.5192 11.2129 11.2129 11.9200 11.9200 12.2905 12.2905 k =-0.4802 0.2354-0.0000 ( 3776 PWs) bands (ev): -13.9973 -13.9973 -13.9964 -13.9964 -13.9669 -13.9669 -13.9519 -13.9519 -12.9719 -12.9719 -12.9711 -12.9711 -12.9448 -12.9448 -12.9293 -12.9293 -12.9208 -12.9208 -12.9082 -12.9082 -5.2455 -5.2455 -4.2247 -4.2247 0.6752 0.6752 3.2811 3.2811 4.4983 4.4983 4.8375 4.8375 5.6695 5.6695 5.9068 5.9068 6.2757 6.2757 7.2614 7.2614 8.5279 8.5279 11.1849 11.1849 11.9297 11.9297 12.3013 12.3013 k =-0.4737 0.2536-0.0000 ( 3768 PWs) bands (ev): -13.9973 -13.9973 -13.9964 -13.9964 -13.9669 -13.9669 -13.9519 -13.9519 -12.9719 -12.9719 -12.9710 -12.9710 -12.9448 -12.9448 -12.9293 -12.9293 -12.9208 -12.9208 -12.9082 -12.9082 -5.2394 -5.2394 -4.2225 -4.2225 0.6582 0.6582 3.2586 3.2586 4.5091 4.5091 4.8460 4.8460 5.6765 5.6765 5.8862 5.8862 6.3174 6.3174 7.2470 7.2470 8.5400 8.5400 11.1464 11.1464 11.9422 11.9422 12.3120 12.3120 k =-0.4671 0.2718-0.0000 ( 3780 PWs) bands (ev): -13.9973 -13.9973 -13.9964 -13.9964 -13.9669 -13.9669 -13.9519 -13.9519 -12.9719 -12.9719 -12.9709 -12.9709 -12.9448 -12.9448 -12.9292 -12.9292 -12.9209 -12.9209 -12.9082 -12.9082 -5.2317 -5.2317 -4.2197 -4.2197 0.6368 0.6368 3.2302 3.2302 4.5228 4.5228 4.8569 4.8569 5.6855 5.6855 5.8661 5.8661 6.3646 6.3646 7.2285 7.2285 8.5556 8.5556 11.0981 11.0981 11.9565 11.9565 12.3082 12.3082 k =-0.4605 0.2900-0.0000 ( 3778 PWs) bands (ev): -13.9972 -13.9972 -13.9963 -13.9963 -13.9668 -13.9668 -13.9519 -13.9519 -12.9719 -12.9719 -12.9708 -12.9708 -12.9448 -12.9448 -12.9292 -12.9292 -12.9209 -12.9209 -12.9081 -12.9081 -5.2223 -5.2223 -4.2164 -4.2164 0.6112 0.6112 3.1960 3.1960 4.5393 4.5393 4.8702 4.8702 5.6962 5.6962 5.8476 5.8476 6.4157 6.4157 7.2059 7.2059 8.5746 8.5746 11.0408 11.0408 11.9708 11.9708 12.2569 12.2569 k =-0.4539 0.3083-0.0000 ( 3772 PWs) bands (ev): -13.9972 -13.9972 -13.9963 -13.9963 -13.9668 -13.9668 -13.9518 -13.9518 -12.9719 -12.9719 -12.9707 -12.9707 -12.9448 -12.9448 -12.9291 -12.9291 -12.9210 -12.9210 -12.9080 -12.9080 -5.2112 -5.2112 -4.2126 -4.2126 0.5817 0.5817 3.1564 3.1564 4.5584 4.5584 4.8859 4.8859 5.7086 5.7086 5.8316 5.8316 6.4698 6.4698 7.1795 7.1795 8.5971 8.5971 10.9755 10.9755 11.9828 11.9828 12.1603 12.1603 k =-0.4473 0.3265-0.0000 ( 3772 PWs) bands (ev): -13.9972 -13.9972 -13.9962 -13.9962 -13.9667 -13.9667 -13.9518 -13.9518 -12.9719 -12.9719 -12.9706 -12.9706 -12.9447 -12.9447 -12.9290 -12.9290 -12.9211 -12.9211 -12.9080 -12.9080 -5.1984 -5.1984 -4.2085 -4.2085 0.5488 0.5488 3.1118 3.1118 4.5800 4.5800 4.9040 4.9040 5.7223 5.7223 5.8187 5.8187 6.5263 6.5263 7.1493 7.1493 8.6229 8.6229 10.9030 10.9030 11.9873 11.9873 12.0462 12.0462 k =-0.4407 0.3447-0.0000 ( 3764 PWs) bands (ev): -13.9972 -13.9972 -13.9962 -13.9962 -13.9667 -13.9667 -13.9518 -13.9518 -12.9719 -12.9719 -12.9704 -12.9704 -12.9447 -12.9447 -12.9290 -12.9290 -12.9212 -12.9212 -12.9079 -12.9079 -5.1840 -5.1840 -4.2040 -4.2040 0.5128 0.5128 3.0625 3.0625 4.6037 4.6037 4.9243 4.9243 5.7370 5.7370 5.8094 5.8094 6.5847 6.5847 7.1156 7.1156 8.6521 8.6521 10.8243 10.8243 11.9100 11.9100 11.9957 11.9957 k =-0.4341 0.3630-0.0000 ( 3764 PWs) bands (ev): -13.9971 -13.9971 -13.9961 -13.9961 -13.9666 -13.9666 -13.9518 -13.9518 -12.9719 -12.9719 -12.9703 -12.9703 -12.9447 -12.9447 -12.9289 -12.9289 -12.9213 -12.9213 -12.9078 -12.9078 -5.1681 -5.1681 -4.1992 -4.1992 0.4742 0.4742 3.0091 3.0091 4.6296 4.6296 4.9469 4.9469 5.7515 5.7515 5.8049 5.8049 6.6444 6.6444 7.0787 7.0787 8.6845 8.6845 10.7404 10.7404 11.7773 11.7773 11.9838 11.9838 k =-0.4275 0.3812-0.0000 ( 3760 PWs) bands (ev): -13.9971 -13.9971 -13.9961 -13.9961 -13.9666 -13.9666 -13.9517 -13.9517 -12.9719 -12.9719 -12.9701 -12.9701 -12.9447 -12.9447 -12.9288 -12.9288 -12.9214 -12.9214 -12.9077 -12.9077 -5.1505 -5.1505 -4.1943 -4.1943 0.4334 0.4334 2.9519 2.9519 4.6572 4.6572 4.9717 4.9717 5.7635 5.7635 5.8072 5.8072 6.7047 6.7047 7.0395 7.0395 8.7201 8.7201 10.6522 10.6522 11.6388 11.6388 11.9612 11.9612 k =-0.4210 0.3994-0.0000 ( 3764 PWs) bands (ev): -13.9971 -13.9971 -13.9960 -13.9960 -13.9665 -13.9665 -13.9517 -13.9517 -12.9719 -12.9719 -12.9700 -12.9700 -12.9446 -12.9446 -12.9287 -12.9287 -12.9215 -12.9215 -12.9076 -12.9076 -5.1314 -5.1314 -4.1894 -4.1894 0.3908 0.3908 2.8913 2.8913 4.6863 4.6863 4.9987 4.9987 5.7710 5.7710 5.8183 5.8183 6.7643 6.7643 6.9993 6.9993 8.7587 8.7587 10.5607 10.5607 11.4972 11.4972 11.9262 11.9262 k =-0.4144 0.4176-0.0000 ( 3760 PWs) bands (ev): -13.9970 -13.9970 -13.9960 -13.9960 -13.9664 -13.9664 -13.9517 -13.9517 -12.9719 -12.9719 -12.9698 -12.9698 -12.9446 -12.9446 -12.9286 -12.9286 -12.9216 -12.9216 -12.9075 -12.9075 -5.1107 -5.1107 -4.1846 -4.1846 0.3470 0.3470 2.8279 2.8279 4.7167 4.7167 5.0278 5.0278 5.7760 5.7760 5.8359 5.8359 6.8186 6.8186 6.9629 6.9629 8.8001 8.8001 10.4666 10.4666 11.3538 11.3538 11.8792 11.8792 k =-0.4078 0.4359-0.0000 ( 3760 PWs) bands (ev): -13.9970 -13.9970 -13.9959 -13.9959 -13.9663 -13.9663 -13.9516 -13.9516 -12.9719 -12.9719 -12.9696 -12.9696 -12.9446 -12.9446 -12.9285 -12.9285 -12.9217 -12.9217 -12.9074 -12.9074 -5.0886 -5.0886 -4.1800 -4.1800 0.3025 0.3025 2.7620 2.7620 4.7480 4.7480 5.0589 5.0589 5.7810 5.7810 5.8572 5.8572 6.8458 6.8458 6.9525 6.9525 8.8443 8.8443 10.3709 10.3709 11.2095 11.2095 11.8212 11.8212 k =-0.4012 0.4541-0.0000 ( 3760 PWs) bands (ev): -13.9970 -13.9970 -13.9958 -13.9958 -13.9663 -13.9663 -13.9516 -13.9516 -12.9719 -12.9719 -12.9694 -12.9694 -12.9446 -12.9446 -12.9283 -12.9283 -12.9218 -12.9218 -12.9073 -12.9073 -5.0651 -5.0651 -4.1757 -4.1757 0.2576 0.2576 2.6940 2.6940 4.7800 4.7800 5.0921 5.0921 5.7875 5.7875 5.8804 5.8804 6.8224 6.8224 6.9919 6.9919 8.8910 8.8910 10.2744 10.2744 11.0652 11.0652 11.7540 11.7540 k =-0.3946 0.4723-0.0000 ( 3752 PWs) bands (ev): -13.9970 -13.9970 -13.9957 -13.9957 -13.9662 -13.9662 -13.9515 -13.9515 -12.9719 -12.9719 -12.9692 -12.9692 -12.9445 -12.9445 -12.9282 -12.9282 -12.9219 -12.9219 -12.9072 -12.9072 -5.0402 -5.0402 -4.1719 -4.1719 0.2129 0.2129 2.6244 2.6244 4.8121 4.8121 5.1272 5.1272 5.7957 5.7957 5.9049 5.9049 6.7788 6.7788 7.0511 7.0511 8.9399 8.9399 10.1780 10.1780 10.9217 10.9217 11.6789 11.6789 k =-0.3880 0.4906-0.0000 ( 3752 PWs) bands (ev): -13.9969 -13.9969 -13.9957 -13.9957 -13.9661 -13.9661 -13.9515 -13.9515 -12.9719 -12.9719 -12.9690 -12.9690 -12.9445 -12.9445 -12.9281 -12.9281 -12.9220 -12.9220 -12.9071 -12.9071 -5.0140 -5.0140 -4.1687 -4.1687 0.1689 0.1689 2.5536 2.5536 4.8439 4.8439 5.1641 5.1641 5.8057 5.8057 5.9301 5.9301 6.7304 6.7304 7.1154 7.1154 8.9907 8.9907 10.0825 10.0825 10.7795 10.7795 11.5973 11.5973 k =-0.3814 0.5088-0.0000 ( 3756 PWs) bands (ev): -13.9969 -13.9969 -13.9956 -13.9956 -13.9660 -13.9660 -13.9515 -13.9515 -12.9719 -12.9719 -12.9688 -12.9688 -12.9445 -12.9445 -12.9279 -12.9279 -12.9220 -12.9220 -12.9070 -12.9070 -4.9865 -4.9865 -4.1664 -4.1664 0.1259 0.1259 2.4818 2.4818 4.8748 4.8748 5.2028 5.2028 5.8177 5.8177 5.9557 5.9557 6.6811 6.6811 7.1816 7.1816 9.0430 9.0430 9.9890 9.9890 10.6392 10.6392 11.5103 11.5103 k =-0.3749 0.5270-0.0000 ( 3764 PWs) bands (ev): -13.9969 -13.9969 -13.9955 -13.9955 -13.9659 -13.9659 -13.9514 -13.9514 -12.9719 -12.9719 -12.9686 -12.9686 -12.9445 -12.9445 -12.9278 -12.9278 -12.9221 -12.9221 -12.9069 -12.9069 -4.9578 -4.9578 -4.1650 -4.1650 0.0846 0.0846 2.4096 2.4096 4.9042 4.9042 5.2431 5.2431 5.8313 5.8313 5.9813 5.9813 6.6324 6.6324 7.2487 7.2487 9.0959 9.0959 9.8987 9.8987 10.5014 10.5014 11.4189 11.4189 k =-0.3683 0.5452-0.0000 ( 3766 PWs) bands (ev): -13.9968 -13.9968 -13.9954 -13.9954 -13.9658 -13.9658 -13.9514 -13.9514 -12.9719 -12.9719 -12.9684 -12.9684 -12.9445 -12.9445 -12.9276 -12.9276 -12.9222 -12.9222 -12.9068 -12.9068 -4.9279 -4.9279 -4.1648 -4.1648 0.0452 0.0452 2.3371 2.3371 4.9313 4.9313 5.2851 5.2851 5.8466 5.8466 6.0065 6.0065 6.5857 6.5857 7.3161 7.3161 9.1484 9.1484 9.8132 9.8132 10.3669 10.3669 11.3239 11.3239 k =-0.3617 0.5635-0.0000 ( 3768 PWs) bands (ev): -13.9968 -13.9968 -13.9954 -13.9954 -13.9657 -13.9657 -13.9513 -13.9513 -12.9719 -12.9719 -12.9683 -12.9683 -12.9445 -12.9445 -12.9275 -12.9275 -12.9222 -12.9222 -12.9067 -12.9067 -4.8970 -4.8970 -4.1658 -4.1658 0.0082 0.0082 2.2648 2.2648 4.9552 4.9552 5.3285 5.3285 5.8633 5.8633 6.0310 6.0310 6.5423 6.5423 7.3836 7.3836 9.1979 9.1979 9.7354 9.7354 10.2362 10.2362 11.2261 11.2261 k =-0.3551 0.5817-0.0000 ( 3764 PWs) bands (ev): -13.9968 -13.9968 -13.9953 -13.9953 -13.9656 -13.9656 -13.9513 -13.9513 -12.9719 -12.9719 -12.9681 -12.9681 -12.9445 -12.9445 -12.9273 -12.9273 -12.9223 -12.9223 -12.9066 -12.9066 -4.8651 -4.8651 -4.1683 -4.1683 -0.0260 -0.0260 2.1929 2.1929 4.9749 4.9749 5.3734 5.3734 5.8813 5.8813 6.0544 6.0544 6.5033 6.5033 7.4506 7.4506 9.2399 9.2399 9.6702 9.6702 10.1103 10.1103 11.1260 11.1260 k =-0.3485 0.5999-0.0000 ( 3772 PWs) bands (ev): -13.9968 -13.9968 -13.9952 -13.9952 -13.9656 -13.9656 -13.9513 -13.9513 -12.9720 -12.9720 -12.9679 -12.9679 -12.9445 -12.9445 -12.9272 -12.9272 -12.9223 -12.9223 -12.9065 -12.9065 -4.8322 -4.8322 -4.1725 -4.1725 -0.0571 -0.0571 2.1218 2.1218 4.9894 4.9894 5.4196 5.4196 5.9005 5.9005 6.0761 6.0761 6.4701 6.4701 7.5167 7.5167 9.2659 9.2659 9.6263 9.6263 9.9900 9.9900 11.0243 11.0243 k =-0.3419 0.6182-0.0000 ( 3772 PWs) bands (ev): -13.9968 -13.9968 -13.9951 -13.9951 -13.9655 -13.9655 -13.9512 -13.9512 -12.9720 -12.9720 -12.9677 -12.9677 -12.9446 -12.9446 -12.9270 -12.9270 -12.9223 -12.9223 -12.9064 -12.9064 -4.7985 -4.7985 -4.1783 -4.1783 -0.0846 -0.0846 2.0516 2.0516 4.9976 4.9976 5.4670 5.4670 5.9207 5.9207 6.0959 6.0959 6.4439 6.4439 7.5814 7.5814 9.2656 9.2656 9.6137 9.6137 9.8770 9.8770 10.9214 10.9214 k =-0.3353 0.6364-0.0000 ( 3766 PWs) bands (ev): -13.9967 -13.9967 -13.9951 -13.9951 -13.9654 -13.9654 -13.9512 -13.9512 -12.9720 -12.9720 -12.9676 -12.9676 -12.9446 -12.9446 -12.9269 -12.9269 -12.9224 -12.9224 -12.9063 -12.9063 -4.7640 -4.7640 -4.1861 -4.1861 -0.1082 -0.1082 1.9827 1.9827 4.9986 4.9986 5.5155 5.5155 5.9417 5.9417 6.1131 6.1131 6.4257 6.4257 7.6439 7.6439 9.2380 9.2380 9.6312 9.6312 9.7748 9.7748 10.8179 10.8179 k =-0.3287 0.6546-0.0000 ( 3762 PWs) bands (ev): -13.9967 -13.9967 -13.9950 -13.9950 -13.9653 -13.9653 -13.9512 -13.9512 -12.9720 -12.9720 -12.9674 -12.9674 -12.9446 -12.9446 -12.9267 -12.9267 -12.9224 -12.9224 -12.9062 -12.9062 -4.7289 -4.7289 -4.1958 -4.1958 -0.1278 -0.1278 1.9154 1.9154 4.9917 4.9917 5.5649 5.5649 5.9633 5.9633 6.1273 6.1273 6.4166 6.4166 7.7032 7.7032 9.1937 9.1937 9.6397 9.6397 9.7134 9.7134 10.7145 10.7145 k =-0.3222 0.6729-0.0000 ( 3766 PWs) bands (ev): -13.9967 -13.9967 -13.9949 -13.9949 -13.9652 -13.9652 -13.9512 -13.9512 -12.9721 -12.9721 -12.9673 -12.9673 -12.9447 -12.9447 -12.9266 -12.9266 -12.9224 -12.9224 -12.9061 -12.9061 -4.6932 -4.6932 -4.2077 -4.2077 -0.1429 -0.1429 1.8498 1.8498 4.9765 4.9765 5.6151 5.6151 5.9853 5.9853 6.1379 6.1379 6.4171 6.4171 7.7579 7.7579 9.1433 9.1433 9.5726 9.5726 9.7504 9.7504 10.6120 10.6120 k =-0.3156 0.6911-0.0000 ( 3771 PWs) bands (ev): -13.9967 -13.9967 -13.9948 -13.9948 -13.9652 -13.9652 -13.9511 -13.9511 -12.9721 -12.9721 -12.9671 -12.9671 -12.9447 -12.9447 -12.9264 -12.9264 -12.9224 -12.9224 -12.9060 -12.9060 -4.6571 -4.6571 -4.2217 -4.2217 -0.1535 -0.1535 1.7862 1.7862 4.9530 4.9530 5.6659 5.6659 6.0076 6.0076 6.1443 6.1443 6.4276 6.4276 7.8064 7.8064 9.0933 9.0933 9.5005 9.5005 9.8097 9.8097 10.5120 10.5120 k =-0.3090 0.7093-0.0000 ( 3773 PWs) bands (ev): -13.9967 -13.9967 -13.9948 -13.9948 -13.9651 -13.9651 -13.9511 -13.9511 -12.9721 -12.9721 -12.9670 -12.9670 -12.9448 -12.9448 -12.9263 -12.9263 -12.9223 -12.9223 -12.9060 -12.9060 -4.6205 -4.6205 -4.2379 -4.2379 -0.1592 -0.1592 1.7248 1.7248 4.9216 4.9216 5.7172 5.7172 6.0298 6.0298 6.1459 6.1459 6.4478 6.4478 7.8466 7.8466 9.0479 9.0479 9.4396 9.4396 9.8713 9.8713 10.4172 10.4172 k =-0.3024 0.7275-0.0000 ( 3773 PWs) bands (ev): -13.9967 -13.9967 -13.9947 -13.9947 -13.9650 -13.9650 -13.9511 -13.9511 -12.9721 -12.9721 -12.9669 -12.9669 -12.9448 -12.9448 -12.9262 -12.9262 -12.9223 -12.9223 -12.9059 -12.9059 -4.5838 -4.5838 -4.2564 -4.2564 -0.1600 -0.1600 1.6658 1.6658 4.8829 4.8829 5.7686 5.7686 6.0518 6.0518 6.1424 6.1424 6.4774 6.4774 7.8760 7.8760 9.0105 9.0105 9.3923 9.3923 9.9255 9.9255 10.3345 10.3345 k =-0.2958 0.7458-0.0000 ( 3771 PWs) bands (ev): -13.9968 -13.9968 -13.9946 -13.9946 -13.9650 -13.9650 -13.9511 -13.9511 -12.9722 -12.9722 -12.9668 -12.9668 -12.9449 -12.9449 -12.9261 -12.9261 -12.9223 -12.9223 -12.9058 -12.9058 -4.5469 -4.5469 -4.2771 -4.2771 -0.1558 -0.1558 1.6094 1.6094 4.8379 4.8379 5.8199 5.8199 6.0729 6.0729 6.1339 6.1339 6.5156 6.5156 7.8923 7.8923 8.9844 8.9844 9.3594 9.3594 9.9545 9.9545 10.2807 10.2807 k =-0.2892 0.7640-0.0000 ( 3773 PWs) bands (ev): -13.9968 -13.9968 -13.9946 -13.9946 -13.9649 -13.9649 -13.9511 -13.9511 -12.9722 -12.9722 -12.9667 -12.9667 -12.9450 -12.9450 -12.9259 -12.9259 -12.9223 -12.9223 -12.9058 -12.9058 -4.5100 -4.5100 -4.3000 -4.3000 -0.1465 -0.1465 1.5559 1.5559 4.7874 4.7874 5.8710 5.8710 6.0916 6.0916 6.1217 6.1217 6.5613 6.5613 7.8939 7.8939 8.9718 8.9718 9.3412 9.3412 9.9348 9.9348 10.2789 10.2789 k =-0.2826 0.7822-0.0000 ( 3769 PWs) bands (ev): -13.9968 -13.9968 -13.9945 -13.9945 -13.9649 -13.9649 -13.9511 -13.9511 -12.9722 -12.9722 -12.9667 -12.9667 -12.9451 -12.9451 -12.9258 -12.9258 -12.9222 -12.9222 -12.9057 -12.9057 -4.4732 -4.4732 -4.3250 -4.3250 -0.1320 -0.1320 1.5053 1.5053 4.7325 4.7325 5.9214 5.9214 6.0922 6.0922 6.1210 6.1210 6.6138 6.6138 7.8804 7.8804 8.9738 8.9738 9.3375 9.3375 9.8709 9.8709 10.3242 10.3242 k =-0.2826 0.7822-0.0000 ( 3769 PWs) bands (ev): -13.9968 -13.9968 -13.9945 -13.9945 -13.9649 -13.9649 -13.9511 -13.9511 -12.9722 -12.9722 -12.9667 -12.9667 -12.9451 -12.9451 -12.9258 -12.9258 -12.9222 -12.9222 -12.9057 -12.9057 -4.4732 -4.4732 -4.3250 -4.3250 -0.1320 -0.1320 1.5053 1.5053 4.7325 4.7325 5.9214 5.9214 6.0922 6.0922 6.1210 6.1210 6.6138 6.6138 7.8804 7.8804 8.9738 8.9738 9.3375 9.3375 9.8709 9.8709 10.3242 10.3242 k =-0.2826 0.7822 0.0192 ( 3772 PWs) bands (ev): -13.9968 -13.9968 -13.9945 -13.9945 -13.9649 -13.9649 -13.9511 -13.9511 -12.9722 -12.9722 -12.9667 -12.9667 -12.9451 -12.9451 -12.9258 -12.9258 -12.9222 -12.9222 -12.9058 -12.9058 -4.4726 -4.4726 -4.3245 -4.3245 -0.1306 -0.1306 1.5062 1.5062 4.7304 4.7304 5.9087 5.9087 6.0811 6.0811 6.1231 6.1231 6.6264 6.6264 7.8580 7.8580 8.9880 8.9880 9.3570 9.3570 9.8548 9.8548 10.3288 10.3288 k =-0.2826 0.7822 0.0385 ( 3766 PWs) bands (ev): -13.9968 -13.9968 -13.9945 -13.9945 -13.9649 -13.9649 -13.9511 -13.9511 -12.9722 -12.9722 -12.9667 -12.9667 -12.9451 -12.9451 -12.9258 -12.9258 -12.9222 -12.9222 -12.9058 -12.9058 -4.4710 -4.4710 -4.3232 -4.3232 -0.1265 -0.1265 1.5087 1.5087 4.7242 4.7242 5.8737 5.8737 6.0532 6.0532 6.1240 6.1240 6.6613 6.6613 7.7952 7.7952 9.0274 9.0274 9.4133 9.4133 9.8099 9.8099 10.3422 10.3422 k =-0.2826 0.7822 0.0577 ( 3766 PWs) bands (ev): -13.9968 -13.9968 -13.9945 -13.9945 -13.9648 -13.9648 -13.9511 -13.9511 -12.9722 -12.9722 -12.9667 -12.9667 -12.9451 -12.9451 -12.9258 -12.9258 -12.9221 -12.9221 -12.9058 -12.9058 -4.4683 -4.4683 -4.3209 -4.3209 -0.1196 -0.1196 1.5128 1.5128 4.7134 4.7134 5.8233 5.8233 6.0125 6.0125 6.1207 6.1207 6.7116 6.7116 7.7028 7.7028 9.0855 9.0855 9.4995 9.4995 9.7457 9.7457 10.3636 10.3636 k =-0.2826 0.7822 0.0769 ( 3768 PWs) bands (ev): -13.9968 -13.9968 -13.9945 -13.9945 -13.9648 -13.9648 -13.9512 -13.9512 -12.9722 -12.9722 -12.9668 -12.9668 -12.9451 -12.9451 -12.9258 -12.9258 -12.9220 -12.9220 -12.9058 -12.9058 -4.4645 -4.4645 -4.3178 -4.3178 -0.1099 -0.1099 1.5186 1.5186 4.6975 4.6975 5.7644 5.7644 5.9600 5.9600 6.1130 6.1130 6.7704 6.7704 7.5913 7.5913 9.1568 9.1568 9.5891 9.5891 9.6903 9.6903 10.3925 10.3925 k =-0.2826 0.7822 0.0961 ( 3764 PWs) bands (ev): -13.9968 -13.9968 -13.9946 -13.9946 -13.9647 -13.9647 -13.9512 -13.9512 -12.9722 -12.9722 -12.9668 -12.9668 -12.9452 -12.9452 -12.9259 -12.9259 -12.9219 -12.9219 -12.9059 -12.9059 -4.4597 -4.4597 -4.3138 -4.3138 -0.0974 -0.0974 1.5260 1.5260 4.6757 4.6757 5.7027 5.7027 5.8972 5.8972 6.1006 6.1006 6.8323 6.8323 7.4694 7.4694 9.2351 9.2351 9.5595 9.5595 9.7693 9.7693 10.4289 10.4289 k =-0.2826 0.7822 0.1154 ( 3762 PWs) bands (ev): -13.9969 -13.9969 -13.9946 -13.9946 -13.9646 -13.9646 -13.9512 -13.9512 -12.9722 -12.9722 -12.9669 -12.9669 -12.9452 -12.9452 -12.9259 -12.9259 -12.9218 -12.9218 -12.9059 -12.9059 -4.4538 -4.4538 -4.3089 -4.3089 -0.0822 -0.0822 1.5349 1.5349 4.6472 4.6472 5.6423 5.6423 5.8255 5.8255 6.0831 6.0831 6.8928 6.8928 7.3434 7.3434 9.3023 9.3023 9.5009 9.5009 9.9083 9.9083 10.4728 10.4728 k =-0.2826 0.7822 0.1346 ( 3772 PWs) bands (ev): -13.9969 -13.9969 -13.9946 -13.9946 -13.9645 -13.9645 -13.9513 -13.9513 -12.9721 -12.9721 -12.9669 -12.9669 -12.9452 -12.9452 -12.9260 -12.9260 -12.9216 -12.9216 -12.9060 -12.9060 -4.4470 -4.4470 -4.3033 -4.3033 -0.0643 -0.0643 1.5453 1.5453 4.6112 4.6112 5.5860 5.5860 5.7467 5.7467 6.0594 6.0594 6.9480 6.9480 7.2188 7.2188 9.2985 9.2985 9.5196 9.5196 10.0590 10.0590 10.5244 10.5244 k =-0.2826 0.7822 0.1538 ( 3768 PWs) bands (ev): -13.9969 -13.9969 -13.9946 -13.9946 -13.9644 -13.9644 -13.9513 -13.9513 -12.9721 -12.9721 -12.9670 -12.9670 -12.9453 -12.9453 -12.9261 -12.9261 -12.9214 -12.9214 -12.9061 -12.9061 -4.4391 -4.4391 -4.2968 -4.2968 -0.0436 -0.0436 1.5572 1.5572 4.5673 4.5673 5.5355 5.5355 5.6625 5.6625 6.0281 6.0281 6.9903 6.9903 7.1043 7.1043 9.2322 9.2322 9.6122 9.6122 10.2148 10.2148 10.5838 10.5838 k =-0.2826 0.7822 0.1730 ( 3764 PWs) bands (ev): -13.9969 -13.9969 -13.9947 -13.9947 -13.9643 -13.9643 -13.9514 -13.9514 -12.9721 -12.9721 -12.9671 -12.9671 -12.9453 -12.9453 -12.9262 -12.9262 -12.9212 -12.9212 -12.9061 -12.9061 -4.4304 -4.4304 -4.2897 -4.2897 -0.0202 -0.0202 1.5704 1.5704 4.5152 4.5152 5.4905 5.4905 5.5759 5.5759 5.9877 5.9877 6.9613 6.9613 7.0593 7.0593 9.1563 9.1563 9.7282 9.7282 10.3721 10.3721 10.6518 10.6518 k =-0.2826 0.7822 0.1923 ( 3764 PWs) bands (ev): -13.9969 -13.9969 -13.9947 -13.9947 -13.9642 -13.9642 -13.9514 -13.9514 -12.9721 -12.9721 -12.9672 -12.9672 -12.9453 -12.9453 -12.9264 -12.9264 -12.9209 -12.9209 -12.9062 -12.9062 -4.4207 -4.4207 -4.2818 -4.2818 0.0060 0.0060 1.5850 1.5850 4.4554 4.4554 5.4424 5.4424 5.4968 5.4968 5.9365 5.9365 6.8667 6.8667 7.0790 7.0790 9.0855 9.0855 9.8542 9.8542 10.5270 10.5270 10.7298 10.7298 k =-0.2826 0.7822 0.2115 ( 3770 PWs) bands (ev): -13.9970 -13.9970 -13.9948 -13.9948 -13.9640 -13.9640 -13.9515 -13.9515 -12.9721 -12.9721 -12.9673 -12.9673 -12.9453 -12.9453 -12.9265 -12.9265 -12.9206 -12.9206 -12.9063 -12.9063 -4.4103 -4.4103 -4.2733 -4.2733 0.0348 0.0348 1.6007 1.6007 4.3887 4.3887 5.3660 5.3660 5.4511 5.4511 5.8734 5.8734 6.7777 6.7777 7.0924 7.0924 9.0249 9.0249 9.9862 9.9862 10.6735 10.6735 10.8220 10.8220 k =-0.2826 0.7822 0.2307 ( 3768 PWs) bands (ev): -13.9970 -13.9970 -13.9948 -13.9948 -13.9639 -13.9639 -13.9516 -13.9516 -12.9721 -12.9721 -12.9674 -12.9674 -12.9453 -12.9453 -12.9268 -12.9268 -12.9202 -12.9202 -12.9063 -12.9063 -4.3990 -4.3990 -4.2642 -4.2642 0.0664 0.0664 1.6175 1.6175 4.3163 4.3163 5.2721 5.2721 5.4278 5.4278 5.7985 5.7985 6.7013 6.7013 7.0920 7.0920 8.9771 8.9771 10.1220 10.1220 10.8028 10.8028 10.9355 10.9355 k =-0.2826 0.7822 0.2499 ( 3769 PWs) bands (ev): -13.9970 -13.9970 -13.9949 -13.9949 -13.9637 -13.9637 -13.9517 -13.9517 -12.9721 -12.9721 -12.9675 -12.9675 -12.9453 -12.9453 -12.9270 -12.9270 -12.9199 -12.9199 -12.9064 -12.9064 -4.3870 -4.3870 -4.2546 -4.2546 0.1006 0.1006 1.6352 1.6352 4.2393 4.2393 5.1737 5.1737 5.4133 5.4133 5.7133 5.7133 6.6381 6.6381 7.0763 7.0763 8.9438 8.9438 10.2598 10.2598 10.9141 10.9141 11.0693 11.0693 k =-0.2826 0.7822 0.2692 ( 3763 PWs) bands (ev): -13.9971 -13.9971 -13.9949 -13.9949 -13.9635 -13.9635 -13.9517 -13.9517 -12.9721 -12.9721 -12.9677 -12.9677 -12.9453 -12.9453 -12.9273 -12.9273 -12.9195 -12.9195 -12.9065 -12.9065 -4.3743 -4.3743 -4.2446 -4.2446 0.1375 0.1375 1.6537 1.6537 4.1592 4.1592 5.0731 5.0731 5.4032 5.4032 5.6216 5.6216 6.5868 6.5868 7.0453 7.0453 8.9252 8.9252 10.3980 10.3980 11.0171 11.0171 11.2119 11.2119 k =-0.2826 0.7822 0.2884 ( 3757 PWs) bands (ev): -13.9971 -13.9971 -13.9950 -13.9950 -13.9633 -13.9633 -13.9518 -13.9518 -12.9721 -12.9721 -12.9678 -12.9678 -12.9453 -12.9453 -12.9277 -12.9277 -12.9191 -12.9191 -12.9065 -12.9065 -4.3610 -4.3610 -4.2341 -4.2341 0.1770 0.1770 1.6729 1.6729 4.0769 4.0769 4.9709 4.9709 5.3918 5.3918 5.5306 5.5306 6.5452 6.5452 6.9998 6.9998 8.9209 8.9209 10.5350 10.5350 11.1186 11.1186 11.3547 11.3547 k =-0.2826 0.7822 0.3076 ( 3771 PWs) bands (ev): -13.9971 -13.9971 -13.9951 -13.9951 -13.9631 -13.9631 -13.9520 -13.9520 -12.9721 -12.9721 -12.9679 -12.9679 -12.9452 -12.9452 -12.9280 -12.9280 -12.9187 -12.9187 -12.9065 -12.9065 -4.3471 -4.3471 -4.2234 -4.2234 0.2191 0.2191 1.6926 1.6926 3.9936 3.9936 4.8674 4.8674 5.3578 5.3578 5.4637 5.4637 6.5112 6.5112 6.9418 6.9418 8.9297 8.9297 10.6688 10.6688 11.2207 11.2207 11.4936 11.4936 k =-0.2826 0.7822 0.3268 ( 3767 PWs) bands (ev): -13.9972 -13.9972 -13.9951 -13.9951 -13.9629 -13.9629 -13.9521 -13.9521 -12.9721 -12.9721 -12.9680 -12.9680 -12.9452 -12.9452 -12.9284 -12.9284 -12.9183 -12.9183 -12.9066 -12.9066 -4.3328 -4.3328 -4.2124 -4.2124 0.2638 0.2638 1.7125 1.7125 3.9101 3.9101 4.7623 4.7623 5.2805 5.2805 5.4438 5.4438 6.4827 6.4827 6.8732 6.8732 8.9500 8.9500 10.7974 10.7974 11.3239 11.3239 11.6262 11.6262 k =-0.2826 0.7822 0.3461 ( 3772 PWs) bands (ev): -13.9972 -13.9972 -13.9952 -13.9952 -13.9627 -13.9627 -13.9522 -13.9522 -12.9721 -12.9721 -12.9681 -12.9681 -12.9451 -12.9451 -12.9288 -12.9288 -12.9179 -12.9179 -12.9066 -12.9066 -4.3181 -4.3181 -4.2013 -4.2013 0.3110 0.3110 1.7325 1.7325 3.8271 3.8271 4.6556 4.6556 5.1877 5.1877 5.4445 5.4445 6.4580 6.4580 6.7967 6.7967 8.9801 8.9801 10.9180 10.9180 11.4277 11.4277 11.7513 11.7513 k =-0.2826 0.7822 0.3653 ( 3768 PWs) bands (ev): -13.9972 -13.9972 -13.9953 -13.9953 -13.9624 -13.9624 -13.9523 -13.9523 -12.9721 -12.9721 -12.9683 -12.9683 -12.9450 -12.9450 -12.9292 -12.9292 -12.9174 -12.9174 -12.9066 -12.9066 -4.3031 -4.3031 -4.1901 -4.1901 0.3608 0.3608 1.7522 1.7522 3.7453 3.7453 4.5471 4.5471 5.0955 5.0955 5.4515 5.4515 6.4356 6.4356 6.7146 6.7146 9.0183 9.0183 11.0275 11.0275 11.5314 11.5314 11.8678 11.8678 k =-0.2826 0.7822 0.3845 ( 3770 PWs) bands (ev): -13.9973 -13.9973 -13.9953 -13.9953 -13.9622 -13.9622 -13.9525 -13.9525 -12.9721 -12.9721 -12.9684 -12.9684 -12.9449 -12.9449 -12.9297 -12.9297 -12.9170 -12.9170 -12.9066 -12.9066 -4.2879 -4.2879 -4.1789 -4.1789 0.4130 0.4130 1.7715 1.7715 3.6653 3.6653 4.4367 4.4367 5.0082 5.0082 5.4610 5.4610 6.4139 6.4139 6.6300 6.6300 9.0632 9.0632 11.1222 11.1222 11.6345 11.6345 11.9757 11.9757 k =-0.2826 0.7822 0.4037 ( 3770 PWs) bands (ev): -13.9973 -13.9973 -13.9954 -13.9954 -13.9619 -13.9619 -13.9526 -13.9526 -12.9721 -12.9721 -12.9685 -12.9685 -12.9447 -12.9447 -12.9302 -12.9302 -12.9166 -12.9166 -12.9066 -12.9066 -4.2726 -4.2726 -4.1679 -4.1679 0.4675 0.4675 1.7901 1.7901 3.5874 3.5874 4.3247 4.3247 4.9279 4.9279 5.4713 5.4713 6.3904 6.3904 6.5465 6.5465 9.1137 9.1137 11.1986 11.1986 11.7363 11.7363 12.0754 12.0754 k =-0.2826 0.7822 0.4230 ( 3772 PWs) bands (ev): -13.9974 -13.9974 -13.9955 -13.9955 -13.9617 -13.9617 -13.9528 -13.9528 -12.9722 -12.9722 -12.9686 -12.9686 -12.9446 -12.9446 -12.9306 -12.9306 -12.9162 -12.9162 -12.9066 -12.9066 -4.2572 -4.2572 -4.1570 -4.1570 0.5244 0.5244 1.8075 1.8075 3.5122 3.5122 4.2116 4.2116 4.8555 4.8555 5.4813 5.4813 6.3589 6.3589 6.4716 6.4716 9.1687 9.1687 11.2536 11.2536 11.8363 11.8363 12.1675 12.1675 k =-0.2826 0.7822 0.4422 ( 3772 PWs) bands (ev): -13.9974 -13.9974 -13.9956 -13.9956 -13.9614 -13.9614 -13.9530 -13.9530 -12.9722 -12.9722 -12.9687 -12.9687 -12.9444 -12.9444 -12.9311 -12.9311 -12.9158 -12.9158 -12.9066 -12.9066 -4.2419 -4.2419 -4.1465 -4.1465 0.5835 0.5835 1.8236 1.8236 3.4399 3.4399 4.0981 4.0981 4.7917 4.7917 5.4895 5.4895 6.3087 6.3087 6.4179 6.4179 9.2277 9.2277 11.2855 11.2855 11.9336 11.9336 12.2526 12.2526 k =-0.2826 0.7822 0.4614 ( 3772 PWs) bands (ev): -13.9974 -13.9974 -13.9956 -13.9956 -13.9611 -13.9611 -13.9532 -13.9532 -12.9722 -12.9722 -12.9688 -12.9688 -12.9443 -12.9443 -12.9316 -12.9316 -12.9155 -12.9155 -12.9065 -12.9065 -4.2267 -4.2267 -4.1363 -4.1363 0.6448 0.6448 1.8379 1.8379 3.3709 3.3709 3.9848 3.9848 4.7366 4.7366 5.4944 5.4944 6.2412 6.2412 6.3857 6.3857 9.2899 9.2899 11.2948 11.2948 12.0272 12.0272 12.3306 12.3306 k =-0.2826 0.7822 0.4806 ( 3772 PWs) bands (ev): -13.9975 -13.9975 -13.9957 -13.9957 -13.9608 -13.9608 -13.9533 -13.9533 -12.9722 -12.9722 -12.9689 -12.9689 -12.9441 -12.9441 -12.9322 -12.9322 -12.9151 -12.9151 -12.9065 -12.9065 -4.2117 -4.2117 -4.1266 -4.1266 0.7081 0.7081 1.8500 1.8500 3.3055 3.3055 3.8727 3.8727 4.6903 4.6903 5.4938 5.4938 6.1709 6.1709 6.3630 6.3630 9.3549 9.3549 11.2834 11.2834 12.1160 12.1160 12.4006 12.4006 k =-0.2826 0.7822 0.4999 ( 3769 PWs) bands (ev): -13.9975 -13.9975 -13.9958 -13.9958 -13.9605 -13.9605 -13.9535 -13.9535 -12.9723 -12.9723 -12.9690 -12.9690 -12.9438 -12.9438 -12.9327 -12.9327 -12.9148 -12.9148 -12.9065 -12.9065 -4.1971 -4.1971 -4.1175 -4.1175 0.7733 0.7733 1.8596 1.8596 3.2440 3.2440 3.7626 3.7626 4.6528 4.6528 5.4852 5.4852 6.1067 6.1067 6.3436 6.3436 9.4224 9.4224 11.2546 11.2546 12.1984 12.1984 12.4611 12.4611 k =-0.2826 0.7822 0.5191 ( 3761 PWs) bands (ev): -13.9975 -13.9975 -13.9959 -13.9959 -13.9602 -13.9602 -13.9538 -13.9538 -12.9723 -12.9723 -12.9691 -12.9691 -12.9436 -12.9436 -12.9332 -12.9332 -12.9144 -12.9144 -12.9064 -12.9064 -4.1830 -4.1830 -4.1091 -4.1091 0.8402 0.8402 1.8660 1.8660 3.1866 3.1866 3.6554 3.6554 4.6239 4.6239 5.4660 5.4660 6.0538 6.0538 6.3252 6.3252 9.4922 9.4922 11.2115 11.2115 12.2732 12.2732 12.5113 12.5113 k =-0.2826 0.7822 0.5383 ( 3759 PWs) bands (ev): -13.9975 -13.9975 -13.9959 -13.9959 -13.9599 -13.9599 -13.9540 -13.9540 -12.9723 -12.9723 -12.9691 -12.9691 -12.9434 -12.9434 -12.9337 -12.9337 -12.9142 -12.9142 -12.9064 -12.9064 -4.1693 -4.1693 -4.1014 -4.1014 0.9087 0.9087 1.8690 1.8690 3.1336 3.1336 3.5521 3.5521 4.6036 4.6036 5.4343 5.4343 6.0150 6.0150 6.3070 6.3070 9.5639 9.5639 11.1572 11.1572 12.3393 12.3393 12.5510 12.5510 k =-0.2826 0.7822 0.5575 ( 3753 PWs) bands (ev): -13.9976 -13.9976 -13.9960 -13.9960 -13.9596 -13.9596 -13.9542 -13.9542 -12.9724 -12.9724 -12.9692 -12.9692 -12.9431 -12.9431 -12.9342 -12.9342 -12.9139 -12.9139 -12.9063 -12.9063 -4.1563 -4.1563 -4.0945 -4.0945 0.9785 0.9785 1.8679 1.8679 3.0853 3.0853 3.4535 3.4535 4.5916 4.5916 5.3903 5.3903 5.9909 5.9909 6.2886 6.2886 9.6374 9.6374 11.0942 11.0942 12.3959 12.3959 12.5810 12.5810 k =-0.2826 0.7822 0.5768 ( 3754 PWs) bands (ev): -13.9976 -13.9976 -13.9961 -13.9961 -13.9594 -13.9594 -13.9544 -13.9544 -12.9724 -12.9724 -12.9693 -12.9693 -12.9429 -12.9429 -12.9347 -12.9347 -12.9136 -12.9136 -12.9063 -12.9063 -4.1440 -4.1440 -4.0885 -4.0885 1.0493 1.0493 1.8621 1.8621 3.0420 3.0420 3.3607 3.3607 4.5879 4.5879 5.3358 5.3358 5.9799 5.9799 6.2698 6.2698 9.7126 9.7126 11.0247 11.0247 12.4427 12.4427 12.6028 12.6028 k =-0.2826 0.7822 0.5960 ( 3752 PWs) bands (ev): -13.9976 -13.9976 -13.9961 -13.9961 -13.9591 -13.9591 -13.9547 -13.9547 -12.9724 -12.9724 -12.9693 -12.9693 -12.9426 -12.9426 -12.9352 -12.9352 -12.9134 -12.9134 -12.9062 -12.9062 -4.1325 -4.1325 -4.0835 -4.0835 1.1208 1.1208 1.8511 1.8511 3.0039 3.0039 3.2745 3.2745 4.5922 4.5922 5.2740 5.2740 5.9792 5.9792 6.2505 6.2505 9.7892 9.7892 10.9504 10.9504 12.4800 12.4800 12.6182 12.6182 k =-0.2826 0.7822 0.6152 ( 3753 PWs) bands (ev): -13.9976 -13.9976 -13.9962 -13.9962 -13.9588 -13.9588 -13.9549 -13.9549 -12.9724 -12.9724 -12.9694 -12.9694 -12.9423 -12.9423 -12.9356 -12.9356 -12.9132 -12.9132 -12.9062 -12.9062 -4.1218 -4.1218 -4.0795 -4.0795 1.1926 1.1926 1.8343 1.8343 2.9714 2.9714 3.1960 3.1960 4.6043 4.6043 5.2079 5.2079 5.9862 5.9862 6.2306 6.2306 9.8672 9.8672 10.8725 10.8725 12.5085 12.5085 12.6287 12.6287 k =-0.2826 0.7822 0.6344 ( 3757 PWs) bands (ev): -13.9976 -13.9976 -13.9962 -13.9962 -13.9585 -13.9585 -13.9551 -13.9551 -12.9725 -12.9725 -12.9694 -12.9694 -12.9420 -12.9420 -12.9361 -12.9361 -12.9131 -12.9131 -12.9061 -12.9061 -4.1121 -4.1121 -4.0766 -4.0766 1.2643 1.2643 1.8111 1.8111 2.9449 2.9449 3.1261 3.1261 4.6237 4.6237 5.1401 5.1401 5.9986 5.9986 6.2102 6.2102 9.9463 9.9463 10.7923 10.7923 12.5295 12.5295 12.6359 12.6359 k =-0.2826 0.7822 0.6537 ( 3758 PWs) bands (ev): -13.9976 -13.9976 -13.9962 -13.9962 -13.9582 -13.9582 -13.9554 -13.9554 -12.9725 -12.9725 -12.9695 -12.9695 -12.9418 -12.9418 -12.9365 -12.9365 -12.9129 -12.9129 -12.9061 -12.9061 -4.1034 -4.1034 -4.0749 -4.0749 1.3352 1.3352 1.7814 1.7814 2.9247 2.9247 3.0655 3.0655 4.6501 4.6501 5.0725 5.0725 6.0145 6.0145 6.1893 6.1893 10.0262 10.0262 10.7106 10.7106 12.5442 12.5442 12.6407 12.6407 k =-0.2826 0.7822 0.6729 ( 3764 PWs) bands (ev): -13.9976 -13.9976 -13.9963 -13.9963 -13.9580 -13.9580 -13.9556 -13.9556 -12.9725 -12.9725 -12.9695 -12.9695 -12.9415 -12.9415 -12.9368 -12.9368 -12.9128 -12.9128 -12.9061 -12.9061 -4.0958 -4.0958 -4.0743 -4.0743 1.4046 1.4046 1.7447 1.7447 2.9114 2.9114 3.0150 3.0150 4.6831 4.6831 5.0066 5.0066 6.0328 6.0328 6.1681 6.1681 10.1065 10.1065 10.6285 10.6285 12.5541 12.5541 12.6437 12.6437 k =-0.2826 0.7822 0.6921 ( 3752 PWs) bands (ev): -13.9977 -13.9977 -13.9963 -13.9963 -13.9577 -13.9577 -13.9558 -13.9558 -12.9725 -12.9725 -12.9695 -12.9695 -12.9413 -12.9413 -12.9371 -12.9371 -12.9127 -12.9127 -12.9061 -12.9061 -4.0892 -4.0892 -4.0749 -4.0749 1.4719 1.4719 1.7014 1.7014 2.9052 2.9052 2.9749 2.9749 4.7217 4.7217 4.9441 4.9441 6.0522 6.0522 6.1471 6.1471 10.1859 10.1859 10.5475 10.5475 12.5603 12.5603 12.6456 12.6456 k =-0.2826 0.7822 0.7113 ( 3754 PWs) bands (ev): -13.9977 -13.9977 -13.9963 -13.9963 -13.9576 -13.9576 -13.9559 -13.9559 -12.9725 -12.9725 -12.9695 -12.9695 -12.9412 -12.9412 -12.9372 -12.9372 -12.9127 -12.9127 -12.9060 -12.9060 -4.0839 -4.0839 -4.0766 -4.0766 1.5360 1.5360 1.6518 1.6518 2.9061 2.9061 2.9461 2.9461 4.7637 4.7637 4.8876 4.8876 6.0710 6.0710 6.1275 6.1275 10.2600 10.2600 10.4724 10.4724 12.5637 12.5637 12.6465 12.6465 k =-0.2826 0.7822 0.7306 ( 3758 PWs) bands (ev): -13.9977 -13.9977 -13.9963 -13.9963 -13.9575 -13.9575 -13.9560 -13.9560 -12.9725 -12.9725 -12.9695 -12.9695 -12.9412 -12.9412 -12.9373 -12.9373 -12.9127 -12.9127 -12.9060 -12.9060 -4.0799 -4.0799 -4.0794 -4.0794 1.5934 1.5934 1.5992 1.5992 2.9095 2.9095 2.9333 2.9333 4.7924 4.7924 4.8540 4.8540 6.0816 6.0816 6.1167 6.1167 10.3019 10.3019 10.4301 10.4301 12.5648 12.5648 12.6468 12.6468 k =-0.2826 0.7822 0.7306 ( 3758 PWs) bands (ev): -13.9977 -13.9977 -13.9963 -13.9963 -13.9575 -13.9575 -13.9560 -13.9560 -12.9725 -12.9725 -12.9695 -12.9695 -12.9412 -12.9412 -12.9373 -12.9373 -12.9127 -12.9127 -12.9060 -12.9060 -4.0799 -4.0799 -4.0794 -4.0794 1.5934 1.5934 1.5992 1.5992 2.9095 2.9095 2.9333 2.9333 4.7924 4.7924 4.8540 4.8540 6.0816 6.0816 6.1167 6.1167 10.3019 10.3019 10.4301 10.4301 12.5648 12.5648 12.6468 12.6468 k =-0.2892 0.7640 0.7306 ( 3758 PWs) bands (ev): -13.9977 -13.9977 -13.9963 -13.9963 -13.9575 -13.9575 -13.9560 -13.9560 -12.9724 -12.9724 -12.9695 -12.9695 -12.9412 -12.9412 -12.9375 -12.9375 -12.9126 -12.9126 -12.9060 -12.9060 -4.0853 -4.0853 -4.0848 -4.0848 1.5427 1.5427 1.5486 1.5486 2.9418 2.9418 2.9650 2.9650 4.8629 4.8629 4.9264 4.9264 6.1205 6.1205 6.1590 6.1590 10.2278 10.2278 10.3597 10.3597 12.5675 12.5675 12.6530 12.6530 k =-0.2958 0.7458 0.7306 ( 3754 PWs) bands (ev): -13.9977 -13.9977 -13.9962 -13.9962 -13.9575 -13.9575 -13.9560 -13.9560 -12.9722 -12.9722 -12.9695 -12.9695 -12.9412 -12.9412 -12.9376 -12.9376 -12.9125 -12.9125 -12.9061 -12.9061 -4.0917 -4.0917 -4.0913 -4.0913 1.4887 1.4887 1.4947 1.4947 2.9819 2.9819 3.0047 3.0047 4.9379 4.9379 5.0034 5.0034 6.1592 6.1592 6.2014 6.2014 10.1528 10.1528 10.2883 10.2883 12.5707 12.5707 12.6609 12.6609 k =-0.3024 0.7275 0.7306 ( 3760 PWs) bands (ev): -13.9977 -13.9977 -13.9962 -13.9962 -13.9575 -13.9575 -13.9560 -13.9560 -12.9721 -12.9721 -12.9694 -12.9694 -12.9413 -12.9413 -12.9378 -12.9378 -12.9124 -12.9124 -12.9061 -12.9061 -4.0993 -4.0993 -4.0988 -4.0988 1.4325 1.4325 1.4385 1.4385 3.0291 3.0291 3.0516 3.0516 5.0167 5.0167 5.0845 5.0845 6.1979 6.1979 6.2439 6.2439 10.0770 10.0770 10.2161 10.2161 12.5744 12.5744 12.6706 12.6706 k =-0.3090 0.7093 0.7306 ( 3756 PWs) bands (ev): -13.9977 -13.9977 -13.9962 -13.9962 -13.9574 -13.9574 -13.9560 -13.9560 -12.9720 -12.9720 -12.9694 -12.9694 -12.9413 -12.9413 -12.9379 -12.9379 -12.9123 -12.9123 -12.9061 -12.9061 -4.1078 -4.1078 -4.1073 -4.1073 1.3749 1.3749 1.3808 1.3808 3.0829 3.0829 3.1050 3.1050 5.0988 5.0988 5.1691 5.1691 6.2365 6.2365 6.2868 6.2868 10.0004 10.0004 10.1431 10.1431 12.5780 12.5780 12.6820 12.6820 k =-0.3156 0.6911 0.7306 ( 3754 PWs) bands (ev): -13.9977 -13.9977 -13.9962 -13.9962 -13.9574 -13.9574 -13.9560 -13.9560 -12.9718 -12.9718 -12.9693 -12.9693 -12.9413 -12.9413 -12.9381 -12.9381 -12.9122 -12.9122 -12.9062 -12.9062 -4.1171 -4.1171 -4.1166 -4.1166 1.3166 1.3166 1.3224 1.3224 3.1426 3.1426 3.1646 3.1646 5.1834 5.1834 5.2564 5.2564 6.2754 6.2754 6.3303 6.3303 9.9231 9.9231 10.0693 10.0693 12.5807 12.5807 12.6947 12.6947 k =-0.3222 0.6729 0.7306 ( 3770 PWs) bands (ev): -13.9977 -13.9977 -13.9961 -13.9961 -13.9574 -13.9574 -13.9560 -13.9560 -12.9717 -12.9717 -12.9692 -12.9692 -12.9413 -12.9413 -12.9383 -12.9383 -12.9121 -12.9121 -12.9063 -12.9063 -4.1273 -4.1273 -4.1268 -4.1268 1.2581 1.2581 1.2638 1.2638 3.2080 3.2080 3.2298 3.2298 5.2699 5.2699 5.3457 5.3457 6.3149 6.3149 6.3746 6.3746 9.8451 9.8451 9.9949 9.9949 12.5812 12.5812 12.7081 12.7081 k =-0.3287 0.6546 0.7306 ( 3766 PWs) bands (ev): -13.9977 -13.9977 -13.9961 -13.9961 -13.9574 -13.9574 -13.9561 -13.9561 -12.9715 -12.9715 -12.9692 -12.9692 -12.9413 -12.9413 -12.9384 -12.9384 -12.9121 -12.9121 -12.9063 -12.9063 -4.1382 -4.1382 -4.1377 -4.1377 1.1999 1.1999 1.2055 1.2055 3.2786 3.2786 3.3002 3.3002 5.3572 5.3572 5.4361 5.4361 6.3553 6.3553 6.4202 6.4202 9.7666 9.7666 9.9198 9.9198 12.5772 12.5772 12.7211 12.7211 k =-0.3353 0.6364 0.7306 ( 3754 PWs) bands (ev): -13.9977 -13.9977 -13.9961 -13.9961 -13.9574 -13.9574 -13.9561 -13.9561 -12.9714 -12.9714 -12.9691 -12.9691 -12.9413 -12.9413 -12.9386 -12.9386 -12.9120 -12.9120 -12.9064 -12.9064 -4.1497 -4.1497 -4.1492 -4.1492 1.1424 1.1424 1.1479 1.1479 3.3540 3.3540 3.3756 3.3756 5.4447 5.4447 5.5267 5.5267 6.3972 6.3972 6.4676 6.4676 9.6876 9.6876 9.8443 9.8443 12.5654 12.5654 12.7319 12.7319 k =-0.3419 0.6182 0.7306 ( 3770 PWs) bands (ev): -13.9977 -13.9977 -13.9961 -13.9961 -13.9573 -13.9573 -13.9561 -13.9561 -12.9712 -12.9712 -12.9690 -12.9690 -12.9413 -12.9413 -12.9388 -12.9388 -12.9119 -12.9119 -12.9065 -12.9065 -4.1617 -4.1617 -4.1612 -4.1612 1.0860 1.0860 1.0912 1.0912 3.4341 3.4341 3.4557 3.4557 5.5312 5.5312 5.6163 5.6163 6.4413 6.4413 6.5172 6.5172 9.6082 9.6082 9.7683 9.7683 12.5416 12.5416 12.7373 12.7373 k =-0.3485 0.5999 0.7306 ( 3770 PWs) bands (ev): -13.9977 -13.9977 -13.9961 -13.9961 -13.9573 -13.9573 -13.9561 -13.9561 -12.9711 -12.9711 -12.9689 -12.9689 -12.9413 -12.9413 -12.9389 -12.9389 -12.9118 -12.9118 -12.9067 -12.9067 -4.1741 -4.1741 -4.1736 -4.1736 1.0308 1.0308 1.0359 1.0359 3.5186 3.5186 3.5402 3.5402 5.6157 5.6157 5.7036 5.7036 6.4884 6.4884 6.5698 6.5698 9.5285 9.5285 9.6921 9.6921 12.5010 12.5010 12.7294 12.7294 k =-0.3551 0.5817 0.7306 ( 3768 PWs) bands (ev): -13.9977 -13.9977 -13.9960 -13.9960 -13.9573 -13.9573 -13.9562 -13.9562 -12.9709 -12.9709 -12.9689 -12.9689 -12.9413 -12.9413 -12.9391 -12.9391 -12.9117 -12.9117 -12.9068 -12.9068 -4.1869 -4.1869 -4.1864 -4.1864 0.9771 0.9771 0.9820 0.9820 3.6073 3.6073 3.6289 3.6289 5.6970 5.6970 5.7872 5.7872 6.5394 6.5394 6.6258 6.6258 9.4488 9.4488 9.6158 9.6158 12.4413 12.4413 12.6851 12.6851 k =-0.3617 0.5635 0.7306 ( 3760 PWs) bands (ev): -13.9977 -13.9977 -13.9960 -13.9960 -13.9573 -13.9573 -13.9562 -13.9562 -12.9708 -12.9708 -12.9688 -12.9688 -12.9412 -12.9412 -12.9392 -12.9392 -12.9116 -12.9116 -12.9069 -12.9069 -4.1999 -4.1999 -4.1994 -4.1994 0.9252 0.9252 0.9298 0.9298 3.6999 3.6999 3.7216 3.7216 5.7741 5.7741 5.8656 5.8656 6.5951 6.5951 6.6859 6.6859 9.3693 9.3693 9.5397 9.5397 12.3642 12.3642 12.5914 12.5914 k =-0.3683 0.5452 0.7306 ( 3760 PWs) bands (ev): -13.9976 -13.9976 -13.9960 -13.9960 -13.9573 -13.9573 -13.9562 -13.9562 -12.9706 -12.9706 -12.9687 -12.9687 -12.9412 -12.9412 -12.9394 -12.9394 -12.9115 -12.9115 -12.9070 -12.9070 -4.2130 -4.2130 -4.2125 -4.2125 0.8750 0.8750 0.8795 0.8795 3.7962 3.7962 3.8181 3.8181 5.8459 5.8459 5.9374 5.9374 6.6561 6.6561 6.7503 6.7503 9.2904 9.2904 9.4643 9.4643 12.2746 12.2746 12.4789 12.4789 k =-0.3749 0.5270 0.7306 ( 3764 PWs) bands (ev): -13.9976 -13.9976 -13.9960 -13.9960 -13.9573 -13.9573 -13.9562 -13.9562 -12.9705 -12.9705 -12.9687 -12.9687 -12.9412 -12.9412 -12.9395 -12.9395 -12.9114 -12.9114 -12.9071 -12.9071 -4.2261 -4.2261 -4.2257 -4.2257 0.8268 0.8268 0.8311 0.8311 3.8961 3.8961 3.9181 3.9181 5.9117 5.9117 6.0018 6.0018 6.7226 6.7226 6.8189 6.8189 9.2128 9.2128 9.3902 9.3902 12.1777 12.1777 12.3628 12.3628 k =-0.3814 0.5088 0.7306 ( 3780 PWs) bands (ev): -13.9976 -13.9976 -13.9960 -13.9960 -13.9572 -13.9572 -13.9563 -13.9563 -12.9704 -12.9704 -12.9686 -12.9686 -12.9411 -12.9411 -12.9396 -12.9396 -12.9113 -12.9113 -12.9073 -12.9073 -4.2392 -4.2392 -4.2388 -4.2388 0.7807 0.7807 0.7847 0.7847 3.9993 3.9993 4.0215 4.0215 5.9711 5.9711 6.0582 6.0582 6.7938 6.7938 6.8910 6.8910 9.1372 9.1372 9.3180 9.3180 12.0772 12.0772 12.2472 12.2472 k =-0.3880 0.4906 0.7306 ( 3780 PWs) bands (ev): -13.9975 -13.9975 -13.9960 -13.9960 -13.9572 -13.9572 -13.9563 -13.9563 -12.9702 -12.9702 -12.9686 -12.9686 -12.9411 -12.9411 -12.9397 -12.9397 -12.9112 -12.9112 -12.9074 -12.9074 -4.2521 -4.2521 -4.2517 -4.2517 0.7367 0.7367 0.7406 0.7406 4.1057 4.1057 4.1280 4.1280 6.0239 6.0239 6.1068 6.1068 6.8685 6.8685 6.9655 6.9655 9.0649 9.0649 9.2490 9.2490 11.9759 11.9759 12.1339 12.1339 k =-0.3946 0.4723 0.7306 ( 3780 PWs) bands (ev): -13.9975 -13.9975 -13.9961 -13.9961 -13.9572 -13.9572 -13.9563 -13.9563 -12.9701 -12.9701 -12.9685 -12.9685 -12.9410 -12.9410 -12.9398 -12.9398 -12.9111 -12.9111 -12.9075 -12.9075 -4.2648 -4.2648 -4.2644 -4.2644 0.6950 0.6950 0.6986 0.6986 4.2150 4.2150 4.2375 4.2375 6.0702 6.0702 6.1481 6.1481 6.9443 6.9443 7.0403 7.0403 8.9973 8.9973 9.1845 9.1845 11.8757 11.8757 12.0238 12.0238 k =-0.4012 0.4541 0.7306 ( 3788 PWs) bands (ev): -13.9975 -13.9975 -13.9961 -13.9961 -13.9572 -13.9572 -13.9564 -13.9564 -12.9700 -12.9700 -12.9685 -12.9685 -12.9410 -12.9410 -12.9399 -12.9399 -12.9110 -12.9110 -12.9077 -12.9077 -4.2771 -4.2771 -4.2767 -4.2767 0.6556 0.6556 0.6590 0.6590 4.3269 4.3269 4.3497 4.3497 6.1104 6.1104 6.1828 6.1828 7.0183 7.0183 7.1126 7.1126 8.9369 8.9369 9.1265 9.1265 11.7776 11.7776 11.9175 11.9175 k =-0.4078 0.4359 0.7306 ( 3784 PWs) bands (ev): -13.9974 -13.9974 -13.9961 -13.9961 -13.9572 -13.9572 -13.9564 -13.9564 -12.9699 -12.9699 -12.9685 -12.9685 -12.9409 -12.9409 -12.9400 -12.9400 -12.9109 -12.9109 -12.9078 -12.9078 -4.2891 -4.2891 -4.2887 -4.2887 0.6185 0.6185 0.6217 0.6217 4.4414 4.4414 4.4644 4.4644 6.1451 6.1451 6.2118 6.2118 7.0873 7.0873 7.1791 7.1791 8.8863 8.8863 9.0775 9.0775 11.6825 11.6825 11.8155 11.8155 k =-0.4144 0.4176 0.7306 ( 3780 PWs) bands (ev): -13.9974 -13.9974 -13.9961 -13.9961 -13.9571 -13.9571 -13.9564 -13.9564 -12.9698 -12.9698 -12.9684 -12.9684 -12.9409 -12.9409 -12.9401 -12.9401 -12.9108 -12.9108 -12.9079 -12.9079 -4.3005 -4.3005 -4.3001 -4.3001 0.5838 0.5838 0.5868 0.5868 4.5580 4.5580 4.5813 4.5813 6.1747 6.1747 6.2358 6.2358 7.1475 7.1475 7.2356 7.2356 8.8490 8.8490 9.0403 9.0403 11.5908 11.5908 11.7181 11.7181 k =-0.4210 0.3994 0.7306 ( 3780 PWs) bands (ev): -13.9973 -13.9973 -13.9961 -13.9961 -13.9571 -13.9571 -13.9565 -13.9565 -12.9697 -12.9697 -12.9684 -12.9684 -12.9408 -12.9408 -12.9401 -12.9401 -12.9107 -12.9107 -12.9081 -12.9081 -4.3114 -4.3114 -4.3111 -4.3111 0.5516 0.5516 0.5543 0.5543 4.6765 4.6765 4.7001 4.7001 6.1998 6.1998 6.2554 6.2554 7.1949 7.1949 7.2777 7.2777 8.8290 8.8290 9.0181 9.0181 11.5023 11.5023 11.6251 11.6251 k =-0.4275 0.3812 0.7306 ( 3772 PWs) bands (ev): -13.9973 -13.9973 -13.9962 -13.9962 -13.9571 -13.9571 -13.9565 -13.9565 -12.9696 -12.9696 -12.9684 -12.9684 -12.9408 -12.9408 -12.9402 -12.9402 -12.9106 -12.9106 -12.9082 -12.9082 -4.3217 -4.3217 -4.3213 -4.3213 0.5219 0.5219 0.5243 0.5243 4.7966 4.7966 4.8204 4.8204 6.2207 6.2207 6.2713 6.2713 7.2261 7.2261 7.3016 7.3016 8.8296 8.8296 9.0139 9.0139 11.4164 11.4164 11.5362 11.5362 k =-0.4341 0.3630 0.7306 ( 3764 PWs) bands (ev): -13.9972 -13.9972 -13.9962 -13.9962 -13.9571 -13.9571 -13.9565 -13.9565 -12.9695 -12.9695 -12.9684 -12.9684 -12.9408 -12.9408 -12.9402 -12.9402 -12.9105 -12.9105 -12.9083 -12.9083 -4.3312 -4.3312 -4.3309 -4.3309 0.4946 0.4946 0.4969 0.4969 4.9179 4.9179 4.9419 4.9419 6.2378 6.2378 6.2837 6.2837 7.2387 7.2387 7.3048 7.3048 8.8530 8.8530 9.0298 9.0298 11.3318 11.3318 11.4502 11.4502 k =-0.4407 0.3447 0.7306 ( 3772 PWs) bands (ev): -13.9972 -13.9972 -13.9962 -13.9962 -13.9571 -13.9571 -13.9566 -13.9566 -12.9694 -12.9694 -12.9684 -12.9684 -12.9407 -12.9407 -12.9403 -12.9403 -12.9104 -12.9104 -12.9084 -12.9084 -4.3401 -4.3401 -4.3398 -4.3398 0.4699 0.4699 0.4720 0.4720 5.0400 5.0400 5.0642 5.0642 6.2511 6.2511 6.2927 6.2927 7.2319 7.2319 7.2871 7.2871 8.8993 8.8993 9.0665 9.0665 11.2459 11.2459 11.3648 11.3648 k =-0.4473 0.3265 0.7306 ( 3776 PWs) bands (ev): -13.9971 -13.9971 -13.9963 -13.9963 -13.9570 -13.9570 -13.9566 -13.9566 -12.9693 -12.9693 -12.9685 -12.9685 -12.9407 -12.9407 -12.9403 -12.9403 -12.9103 -12.9103 -12.9086 -12.9086 -4.3481 -4.3481 -4.3479 -4.3479 0.4478 0.4478 0.4496 0.4496 5.1624 5.1624 5.1868 5.1868 6.2607 6.2607 6.2985 6.2985 7.2066 7.2066 7.2506 7.2506 8.9666 8.9666 9.1231 9.1231 11.1554 11.1554 11.2760 11.2760 k =-0.4539 0.3083 0.7306 ( 3768 PWs) bands (ev): -13.9971 -13.9971 -13.9963 -13.9963 -13.9570 -13.9570 -13.9566 -13.9566 -12.9692 -12.9692 -12.9685 -12.9685 -12.9406 -12.9406 -12.9404 -12.9404 -12.9102 -12.9102 -12.9087 -12.9087 -4.3553 -4.3553 -4.3551 -4.3551 0.4282 0.4282 0.4298 0.4298 5.2844 5.2844 5.3089 5.3089 6.2664 6.2664 6.3006 6.3006 7.1655 7.1655 7.1989 7.1989 9.0515 9.0515 9.1971 9.1971 11.0564 11.0564 11.1781 11.1781 k =-0.4605 0.2900 0.7306 ( 3768 PWs) bands (ev): -13.9970 -13.9970 -13.9964 -13.9964 -13.9570 -13.9570 -13.9567 -13.9567 -12.9692 -12.9692 -12.9685 -12.9685 -12.9406 -12.9406 -12.9404 -12.9404 -12.9101 -12.9101 -12.9088 -12.9088 -4.3616 -4.3616 -4.3615 -4.3615 0.4113 0.4113 0.4126 0.4126 5.4052 5.4052 5.4296 5.4296 6.2676 6.2676 6.2987 6.2987 7.1124 7.1124 7.1365 7.1365 9.1501 9.1501 9.2851 9.2851 10.9477 10.9477 11.0675 11.0675 k =-0.4671 0.2718 0.7306 ( 3772 PWs) bands (ev): -13.9970 -13.9970 -13.9964 -13.9964 -13.9570 -13.9570 -13.9567 -13.9567 -12.9691 -12.9691 -12.9685 -12.9685 -12.9406 -12.9406 -12.9404 -12.9404 -12.9100 -12.9100 -12.9089 -12.9089 -4.3671 -4.3671 -4.3669 -4.3669 0.3969 0.3969 0.3980 0.3980 5.5237 5.5237 5.5480 5.5480 6.2633 6.2633 6.2918 6.2918 7.0520 7.0520 7.0684 7.0684 9.2584 9.2584 9.3830 9.3830 10.8313 10.8313 10.9460 10.9460 k =-0.4737 0.2536 0.7306 ( 3772 PWs) bands (ev): -13.9969 -13.9969 -13.9965 -13.9965 -13.9569 -13.9569 -13.9567 -13.9567 -12.9690 -12.9690 -12.9686 -12.9686 -12.9405 -12.9405 -12.9404 -12.9404 -12.9099 -12.9099 -12.9090 -12.9090 -4.3715 -4.3715 -4.3714 -4.3714 0.3852 0.3852 0.3861 0.3861 5.6384 5.6384 5.6623 5.6623 6.2524 6.2524 6.2784 6.2784 6.9894 6.9894 6.9998 6.9998 9.3723 9.3723 9.4860 9.4860 10.7124 10.7124 10.8193 10.8193 k =-0.4802 0.2354 0.7306 ( 3780 PWs) bands (ev): -13.9969 -13.9969 -13.9965 -13.9965 -13.9569 -13.9569 -13.9568 -13.9568 -12.9690 -12.9690 -12.9686 -12.9686 -12.9405 -12.9405 -12.9404 -12.9404 -12.9098 -12.9098 -12.9091 -12.9091 -4.3750 -4.3750 -4.3749 -4.3749 0.3760 0.3760 0.3767 0.3767 5.7470 5.7470 5.7701 5.7701 6.2330 6.2330 6.2569 6.2569 6.9306 6.9306 6.9367 6.9367 9.4867 9.4867 9.5872 9.5872 10.5982 10.5982 10.6940 10.6940 k =-0.4868 0.2171 0.7306 ( 3776 PWs) bands (ev): -13.9968 -13.9968 -13.9966 -13.9966 -13.9569 -13.9569 -13.9568 -13.9568 -12.9689 -12.9689 -12.9687 -12.9687 -12.9405 -12.9405 -12.9404 -12.9404 -12.9097 -12.9097 -12.9092 -12.9092 -4.3775 -4.3775 -4.3774 -4.3774 0.3696 0.3696 0.3700 0.3700 5.8456 5.8456 5.8667 5.8667 6.2050 6.2050 6.2262 6.2262 6.8821 6.8821 6.8853 6.8853 9.5949 9.5949 9.6756 9.6756 10.5001 10.5001 10.5780 10.5780 k =-0.4934 0.1989 0.7306 ( 3776 PWs) bands (ev): -13.9968 -13.9968 -13.9966 -13.9966 -13.9569 -13.9569 -13.9568 -13.9568 -12.9688 -12.9688 -12.9687 -12.9687 -12.9405 -12.9405 -12.9405 -12.9405 -12.9096 -12.9096 -12.9094 -12.9094 -4.3790 -4.3790 -4.3790 -4.3790 0.3657 0.3657 0.3659 0.3659 5.9262 5.9262 5.9417 5.9417 6.1736 6.1736 6.1890 6.1890 6.8501 6.8501 6.8514 6.8514 9.6848 9.6848 9.7328 9.7328 10.4368 10.4368 10.4835 10.4835 k =-0.5000 0.1807 0.7306 ( 3764 PWs) bands (ev): -13.9967 -13.9967 -13.9967 -13.9967 -13.9568 -13.9568 -13.9568 -13.9568 -12.9688 -12.9688 -12.9688 -12.9688 -12.9405 -12.9405 -12.9405 -12.9405 -12.9095 -12.9095 -12.9095 -12.9095 -4.3795 -4.3795 -4.3795 -4.3795 0.3645 0.3645 0.3645 0.3645 5.9678 5.9678 5.9678 5.9678 6.1625 6.1625 6.1625 6.1625 6.8392 6.8392 6.8392 6.8392 9.7371 9.7371 9.7371 9.7371 10.4301 10.4301 10.4301 10.4301 k =-0.5000 0.1807 0.7306 ( 3764 PWs) bands (ev): -13.9967 -13.9967 -13.9967 -13.9967 -13.9568 -13.9568 -13.9568 -13.9568 -12.9688 -12.9688 -12.9688 -12.9688 -12.9405 -12.9405 -12.9405 -12.9405 -12.9095 -12.9095 -12.9095 -12.9095 -4.3795 -4.3795 -4.3795 -4.3795 0.3645 0.3645 0.3645 0.3645 5.9678 5.9678 5.9678 5.9678 6.1625 6.1625 6.1625 6.1625 6.8392 6.8392 6.8392 6.8392 9.7371 9.7371 9.7371 9.7371 10.4301 10.4301 10.4301 10.4301 k =-0.5000 0.1807 0.7113 ( 3766 PWs) bands (ev): -13.9967 -13.9967 -13.9967 -13.9967 -13.9572 -13.9572 -13.9565 -13.9565 -12.9689 -12.9689 -12.9687 -12.9687 -12.9409 -12.9409 -12.9400 -12.9400 -12.9099 -12.9099 -12.9091 -12.9091 -4.4072 -4.4072 -4.3531 -4.3531 0.3228 0.3228 0.4107 0.4107 5.9157 5.9157 6.0172 6.0172 6.1369 6.1369 6.1774 6.1774 6.8090 6.8090 6.8830 6.8830 9.6493 9.6493 9.8167 9.8167 10.3962 10.3962 10.4691 10.4691 k =-0.5000 0.1807 0.6921 ( 3770 PWs) bands (ev): -13.9967 -13.9967 -13.9967 -13.9967 -13.9575 -13.9575 -13.9562 -13.9562 -12.9690 -12.9690 -12.9686 -12.9686 -12.9414 -12.9414 -12.9395 -12.9395 -12.9103 -12.9103 -12.9087 -12.9087 -4.4360 -4.4360 -4.3282 -4.3282 0.2855 0.2855 0.4612 0.4612 5.8616 5.8616 6.0606 6.0606 6.1040 6.1040 6.1820 6.1820 6.7917 6.7917 6.9394 6.9394 9.5557 9.5557 9.8840 9.8840 10.3698 10.3698 10.5109 10.5109 k =-0.5000 0.1807 0.6729 ( 3778 PWs) bands (ev): -13.9968 -13.9968 -13.9966 -13.9966 -13.9578 -13.9578 -13.9559 -13.9559 -12.9691 -12.9691 -12.9685 -12.9685 -12.9418 -12.9418 -12.9390 -12.9390 -12.9108 -12.9108 -12.9084 -12.9084 -4.4658 -4.4658 -4.3048 -4.3048 0.2529 0.2529 0.5160 0.5160 5.8059 5.8059 6.0486 6.0486 6.1140 6.1140 6.1785 6.1785 6.7859 6.7859 7.0068 7.0068 9.4584 9.4584 9.9341 9.9341 10.3528 10.3528 10.5542 10.5542 k =-0.5000 0.1807 0.6537 ( 3786 PWs) bands (ev): -13.9968 -13.9968 -13.9966 -13.9966 -13.9582 -13.9582 -13.9556 -13.9556 -12.9692 -12.9692 -12.9685 -12.9685 -12.9422 -12.9422 -12.9384 -12.9384 -12.9113 -12.9113 -12.9081 -12.9081 -4.4965 -4.4965 -4.2829 -4.2829 0.2248 0.2248 0.5749 0.5749 5.7490 5.7490 5.9981 5.9981 6.1468 6.1468 6.1738 6.1738 6.7892 6.7892 7.0832 7.0832 9.3584 9.3584 9.9623 9.9623 10.3459 10.3459 10.5991 10.5991 k =-0.5000 0.1807 0.6344 ( 3786 PWs) bands (ev): -13.9968 -13.9968 -13.9966 -13.9966 -13.9585 -13.9585 -13.9554 -13.9554 -12.9693 -12.9693 -12.9684 -12.9684 -12.9426 -12.9426 -12.9379 -12.9379 -12.9118 -12.9118 -12.9078 -12.9078 -4.5280 -4.5280 -4.2628 -4.2628 0.2014 0.2014 0.6378 0.6378 5.6912 5.6912 5.9414 5.9414 6.1438 6.1438 6.1979 6.1979 6.7995 6.7995 7.1668 7.1668 9.2568 9.2568 9.9674 9.9674 10.3468 10.3468 10.6485 10.6485 k =-0.5000 0.1807 0.6152 ( 3790 PWs) bands (ev): -13.9968 -13.9968 -13.9966 -13.9966 -13.9589 -13.9589 -13.9551 -13.9551 -12.9694 -12.9694 -12.9684 -12.9684 -12.9429 -12.9429 -12.9373 -12.9373 -12.9123 -12.9123 -12.9075 -12.9075 -4.5601 -4.5601 -4.2445 -4.2445 0.1825 0.1825 0.7046 0.7046 5.6329 5.6329 5.8817 5.8817 6.1245 6.1245 6.2310 6.2310 6.8147 6.8147 7.2561 7.2561 9.1543 9.1543 9.9519 9.9519 10.3521 10.3521 10.7059 10.7059 k =-0.5000 0.1807 0.5960 ( 3786 PWs) bands (ev): -13.9968 -13.9968 -13.9966 -13.9966 -13.9592 -13.9592 -13.9549 -13.9549 -12.9696 -12.9696 -12.9684 -12.9684 -12.9433 -12.9433 -12.9368 -12.9368 -12.9129 -12.9129 -12.9073 -12.9073 -4.5926 -4.5926 -4.2279 -4.2279 0.1682 0.1682 0.7751 0.7751 5.5743 5.5743 5.8204 5.8204 6.1014 6.1014 6.2616 6.2616 6.8335 6.8335 7.3496 7.3496 9.0517 9.0517 9.9205 9.9205 10.3607 10.3607 10.7728 10.7728 k =-0.5000 0.1807 0.5768 ( 3778 PWs) bands (ev): -13.9969 -13.9969 -13.9966 -13.9966 -13.9596 -13.9596 -13.9546 -13.9546 -12.9697 -12.9697 -12.9684 -12.9684 -12.9436 -12.9436 -12.9362 -12.9362 -12.9135 -12.9135 -12.9071 -12.9071 -4.6255 -4.6255 -4.2132 -4.2132 0.1583 0.1583 0.8492 0.8492 5.5157 5.5157 5.7588 5.7588 6.0760 6.0760 6.2886 6.2886 6.8546 6.8546 7.4460 7.4460 8.9498 8.9498 9.8772 9.8772 10.3738 10.3738 10.8481 10.8481 k =-0.5000 0.1807 0.5575 ( 3772 PWs) bands (ev): -13.9969 -13.9969 -13.9965 -13.9965 -13.9599 -13.9599 -13.9544 -13.9544 -12.9698 -12.9698 -12.9684 -12.9684 -12.9439 -12.9439 -12.9356 -12.9356 -12.9141 -12.9141 -12.9069 -12.9069 -4.6585 -4.6585 -4.2003 -4.2003 0.1528 0.1528 0.9266 0.9266 5.4573 5.4573 5.6975 5.6975 6.0492 6.0492 6.3119 6.3119 6.8772 6.8772 7.5438 7.5438 8.8497 8.8497 9.8256 9.8256 10.3931 10.3931 10.9301 10.9301 k =-0.5000 0.1807 0.5383 ( 3772 PWs) bands (ev): -13.9969 -13.9969 -13.9965 -13.9965 -13.9603 -13.9603 -13.9542 -13.9542 -12.9699 -12.9699 -12.9684 -12.9684 -12.9441 -12.9441 -12.9350 -12.9350 -12.9147 -12.9147 -12.9067 -12.9067 -4.6915 -4.6915 -4.1892 -4.1892 0.1515 0.1515 1.0073 1.0073 5.3995 5.3995 5.6371 5.6371 6.0215 6.0215 6.3313 6.3313 6.9007 6.9007 7.6411 7.6411 8.7531 8.7531 9.7680 9.7680 10.4198 10.4198 11.0170 11.0170 k =-0.5000 0.1807 0.5191 ( 3770 PWs) bands (ev): -13.9969 -13.9969 -13.9965 -13.9965 -13.9607 -13.9607 -13.9540 -13.9540 -12.9701 -12.9701 -12.9684 -12.9684 -12.9444 -12.9444 -12.9343 -12.9343 -12.9153 -12.9153 -12.9066 -12.9066 -4.7245 -4.7245 -4.1799 -4.1799 0.1542 0.1542 1.0910 1.0910 5.3423 5.3423 5.5781 5.5781 5.9934 5.9934 6.3470 6.3470 6.9247 6.9247 7.7346 7.7346 8.6630 8.6630 9.7067 9.7067 10.4546 10.4546 11.1073 11.1073 k =-0.5000 0.1807 0.4999 ( 3764 PWs) bands (ev): -13.9969 -13.9969 -13.9965 -13.9965 -13.9610 -13.9610 -13.9538 -13.9538 -12.9702 -12.9702 -12.9685 -12.9685 -12.9446 -12.9446 -12.9337 -12.9337 -12.9160 -12.9160 -12.9065 -12.9065 -4.7572 -4.7572 -4.1724 -4.1724 0.1608 0.1608 1.1776 1.1776 5.2860 5.2860 5.5208 5.5208 5.9651 5.9651 6.3589 6.3589 6.9487 6.9487 7.8186 7.8186 8.5847 8.5847 9.6432 9.6432 10.4975 10.4975 11.2002 11.2002 k =-0.5000 0.1807 0.4806 ( 3764 PWs) bands (ev): -13.9970 -13.9970 -13.9965 -13.9965 -13.9614 -13.9614 -13.9536 -13.9536 -12.9703 -12.9703 -12.9686 -12.9686 -12.9448 -12.9448 -12.9331 -12.9331 -12.9166 -12.9166 -12.9064 -12.9064 -4.7896 -4.7896 -4.1665 -4.1665 0.1710 0.1710 1.2669 1.2669 5.2308 5.2308 5.4653 5.4653 5.9369 5.9369 6.3673 6.3673 6.9725 6.9725 7.8830 7.8830 8.5283 8.5283 9.5786 9.5786 10.5486 10.5486 11.2948 11.2948 k =-0.5000 0.1807 0.4614 ( 3766 PWs) bands (ev): -13.9970 -13.9970 -13.9965 -13.9965 -13.9618 -13.9618 -13.9534 -13.9534 -12.9704 -12.9704 -12.9686 -12.9686 -12.9450 -12.9450 -12.9324 -12.9324 -12.9173 -12.9173 -12.9064 -12.9064 -4.8216 -4.8216 -4.1621 -4.1621 0.1846 0.1846 1.3586 1.3586 5.1768 5.1768 5.4118 5.4118 5.9090 5.9090 6.3725 6.3725 6.9958 6.9958 7.9129 7.9129 8.5084 8.5084 9.5140 9.5140 10.6074 10.6074 11.3905 11.3905 k =-0.5000 0.1807 0.4422 ( 3770 PWs) bands (ev): -13.9970 -13.9970 -13.9965 -13.9965 -13.9621 -13.9621 -13.9533 -13.9533 -12.9705 -12.9705 -12.9687 -12.9687 -12.9452 -12.9452 -12.9318 -12.9318 -12.9180 -12.9180 -12.9063 -12.9063 -4.8530 -4.8530 -4.1593 -4.1593 0.2013 0.2013 1.4526 1.4526 5.1242 5.1242 5.3606 5.3606 5.8816 5.8816 6.3746 6.3746 7.0185 7.0185 7.8983 7.8983 8.5346 8.5346 9.4502 9.4502 10.6737 10.6737 11.4867 11.4867 k =-0.5000 0.1807 0.4230 ( 3766 PWs) bands (ev): -13.9970 -13.9970 -13.9965 -13.9965 -13.9625 -13.9625 -13.9531 -13.9531 -12.9707 -12.9707 -12.9688 -12.9688 -12.9453 -12.9453 -12.9311 -12.9311 -12.9187 -12.9187 -12.9063 -12.9063 -4.8837 -4.8837 -4.1578 -4.1578 0.2208 0.2208 1.5486 1.5486 5.0730 5.0730 5.3116 5.3116 5.8548 5.8548 6.3739 6.3739 7.0403 7.0403 7.8455 7.8455 8.6001 8.6001 9.3881 9.3881 10.7469 10.7469 11.5828 11.5828 k =-0.5000 0.1807 0.4037 ( 3768 PWs) bands (ev): -13.9970 -13.9970 -13.9964 -13.9964 -13.9628 -13.9628 -13.9530 -13.9530 -12.9708 -12.9708 -12.9689 -12.9689 -12.9454 -12.9454 -12.9305 -12.9305 -12.9193 -12.9193 -12.9063 -12.9063 -4.9137 -4.9137 -4.1576 -4.1576 0.2429 0.2429 1.6465 1.6465 5.0236 5.0236 5.2650 5.2650 5.8288 5.8288 6.3708 6.3708 7.0611 7.0611 7.7687 7.7687 8.6899 8.6899 9.3290 9.3290 10.8266 10.8266 11.6781 11.6781 k =-0.5000 0.1807 0.3845 ( 3774 PWs) bands (ev): -13.9971 -13.9971 -13.9964 -13.9964 -13.9632 -13.9632 -13.9529 -13.9529 -12.9709 -12.9709 -12.9690 -12.9690 -12.9455 -12.9455 -12.9298 -12.9298 -12.9200 -12.9200 -12.9064 -12.9064 -4.9428 -4.9428 -4.1584 -4.1584 0.2671 0.2671 1.7459 1.7459 4.9758 4.9758 5.2208 5.2208 5.8037 5.8037 6.3656 6.3656 7.0808 7.0808 7.6786 7.6786 8.7910 8.7910 9.2753 9.2753 10.9123 10.9123 11.7720 11.7720 k =-0.5000 0.1807 0.3653 ( 3770 PWs) bands (ev): -13.9971 -13.9971 -13.9964 -13.9964 -13.9635 -13.9635 -13.9528 -13.9528 -12.9710 -12.9710 -12.9692 -12.9692 -12.9456 -12.9456 -12.9292 -12.9292 -12.9207 -12.9207 -12.9064 -12.9064 -4.9710 -4.9710 -4.1603 -4.1603 0.2932 0.2932 1.8466 1.8466 4.9299 4.9299 5.1791 5.1791 5.7796 5.7796 6.3586 6.3586 7.0991 7.0991 7.5815 7.5815 8.8913 8.8913 9.2335 9.2335 11.0035 11.0035 11.8636 11.8636 k =-0.5000 0.1807 0.3461 ( 3766 PWs) bands (ev): -13.9971 -13.9971 -13.9964 -13.9964 -13.9638 -13.9638 -13.9527 -13.9527 -12.9711 -12.9711 -12.9693 -12.9693 -12.9456 -12.9456 -12.9285 -12.9285 -12.9213 -12.9213 -12.9065 -12.9065 -4.9982 -4.9982 -4.1630 -4.1630 0.3208 0.3208 1.9484 1.9484 4.8859 4.8859 5.1398 5.1398 5.7567 5.7567 6.3500 6.3500 7.1154 7.1154 7.4808 7.4808 8.9680 8.9680 9.2232 9.2232 11.0997 11.0997 11.9517 11.9517 k =-0.5000 0.1807 0.3268 ( 3766 PWs) bands (ev): -13.9971 -13.9971 -13.9964 -13.9964 -13.9641 -13.9641 -13.9526 -13.9526 -12.9712 -12.9712 -12.9694 -12.9694 -12.9457 -12.9457 -12.9279 -12.9279 -12.9219 -12.9219 -12.9065 -12.9065 -5.0243 -5.0243 -4.1664 -4.1664 0.3495 0.3495 2.0508 2.0508 4.8439 4.8439 5.1031 5.1031 5.7350 5.7350 6.3403 6.3403 7.1286 7.1286 7.3798 7.3798 8.9876 8.9876 9.2764 9.2764 11.2001 11.2001 12.0346 12.0346 k =-0.5000 0.1807 0.3076 ( 3760 PWs) bands (ev): -13.9971 -13.9971 -13.9964 -13.9964 -13.9644 -13.9644 -13.9525 -13.9525 -12.9713 -12.9713 -12.9696 -12.9696 -12.9457 -12.9457 -12.9274 -12.9274 -12.9226 -12.9226 -12.9066 -12.9066 -5.0492 -5.0492 -4.1704 -4.1704 0.3790 0.3790 2.1536 2.1536 4.8040 4.8040 5.0689 5.0689 5.7147 5.7147 6.3296 6.3296 7.1336 7.1336 7.2844 7.2844 8.9626 8.9626 9.3795 9.3795 11.3043 11.3043 12.1096 12.1096 k =-0.5000 0.1807 0.2884 ( 3760 PWs) bands (ev): -13.9972 -13.9972 -13.9964 -13.9964 -13.9647 -13.9647 -13.9524 -13.9524 -12.9714 -12.9714 -12.9697 -12.9697 -12.9457 -12.9457 -12.9268 -12.9268 -12.9231 -12.9231 -12.9067 -12.9067 -5.0729 -5.0729 -4.1748 -4.1748 0.4089 0.4089 2.2563 2.2563 4.7662 4.7662 5.0372 5.0372 5.6958 5.6958 6.3183 6.3183 7.1066 7.1066 7.2193 7.2193 8.9223 8.9223 9.5027 9.5027 11.4115 11.4115 12.1722 12.1722 k =-0.5000 0.1807 0.2692 ( 3760 PWs) bands (ev): -13.9972 -13.9972 -13.9964 -13.9964 -13.9650 -13.9650 -13.9523 -13.9523 -12.9714 -12.9714 -12.9699 -12.9699 -12.9457 -12.9457 -12.9264 -12.9264 -12.9236 -12.9236 -12.9068 -12.9068 -5.0954 -5.0954 -4.1796 -4.1796 0.4390 0.4390 2.3585 2.3585 4.7306 4.7306 5.0079 5.0079 5.6786 5.6786 6.3065 6.3065 7.0264 7.0264 7.2064 7.2064 8.8781 8.8781 9.6341 9.6341 11.5211 11.5211 12.2154 12.2154 k =-0.5000 0.1807 0.2499 ( 3756 PWs) bands (ev): -13.9972 -13.9972 -13.9964 -13.9964 -13.9652 -13.9652 -13.9523 -13.9523 -12.9715 -12.9715 -12.9700 -12.9700 -12.9456 -12.9456 -12.9261 -12.9261 -12.9239 -12.9239 -12.9069 -12.9069 -5.1165 -5.1165 -4.1845 -4.1845 0.4687 0.4687 2.4598 2.4598 4.6973 4.6973 4.9811 4.9811 5.6630 5.6630 6.2945 6.2945 6.9275 6.9275 7.2116 7.2116 8.8336 8.8336 9.7696 9.7696 11.6322 11.6322 12.2339 12.2339 k =-0.5000 0.1807 0.2307 ( 3764 PWs) bands (ev): -13.9972 -13.9972 -13.9964 -13.9964 -13.9655 -13.9655 -13.9522 -13.9522 -12.9716 -12.9716 -12.9701 -12.9701 -12.9456 -12.9456 -12.9261 -12.9261 -12.9239 -12.9239 -12.9071 -12.9071 -5.1362 -5.1362 -4.1896 -4.1896 0.4979 0.4979 2.5595 2.5595 4.6662 4.6662 4.9567 4.9567 5.6494 5.6494 6.2825 6.2825 6.8254 6.8254 7.2203 7.2203 8.7903 8.7903 9.9075 9.9075 11.7441 11.7441 12.2289 12.2289 k =-0.5000 0.1807 0.2115 ( 3760 PWs) bands (ev): -13.9972 -13.9972 -13.9964 -13.9964 -13.9657 -13.9657 -13.9522 -13.9522 -12.9716 -12.9716 -12.9703 -12.9703 -12.9455 -12.9455 -12.9264 -12.9264 -12.9236 -12.9236 -12.9072 -12.9072 -5.1545 -5.1545 -4.1947 -4.1947 0.5260 0.5260 2.6571 2.6571 4.6375 4.6375 4.9346 4.9346 5.6378 5.6378 6.2706 6.2706 6.7235 6.7235 7.2293 7.2293 8.7491 8.7491 10.0466 10.0466 11.8556 11.8556 12.2071 12.2071 k =-0.5000 0.1807 0.1923 ( 3760 PWs) bands (ev): -13.9972 -13.9972 -13.9964 -13.9964 -13.9659 -13.9659 -13.9521 -13.9521 -12.9717 -12.9717 -12.9704 -12.9704 -12.9454 -12.9454 -12.9268 -12.9268 -12.9233 -12.9233 -12.9073 -12.9073 -5.1714 -5.1714 -4.1996 -4.1996 0.5530 0.5530 2.7518 2.7518 4.6111 4.6111 4.9148 4.9148 5.6284 5.6284 6.2588 6.2588 6.6234 6.6234 7.2380 7.2380 8.7103 8.7103 10.1861 10.1861 11.9657 11.9657 12.1751 12.1751 k =-0.5000 0.1807 0.1730 ( 3762 PWs) bands (ev): -13.9973 -13.9973 -13.9964 -13.9964 -13.9661 -13.9661 -13.9521 -13.9521 -12.9718 -12.9718 -12.9705 -12.9705 -12.9454 -12.9454 -12.9272 -12.9272 -12.9229 -12.9229 -12.9075 -12.9075 -5.1867 -5.1867 -4.2044 -4.2044 0.5783 0.5783 2.8427 2.8427 4.5872 4.5872 4.8972 4.8972 5.6214 5.6214 6.2472 6.2472 6.5263 6.5263 7.2460 7.2460 8.6745 8.6745 10.3251 10.3251 12.0725 12.0725 12.1382 12.1382 k =-0.5000 0.1807 0.1538 ( 3764 PWs) bands (ev): -13.9973 -13.9973 -13.9964 -13.9964 -13.9663 -13.9663 -13.9521 -13.9521 -12.9718 -12.9718 -12.9707 -12.9707 -12.9453 -12.9453 -12.9276 -12.9276 -12.9225 -12.9225 -12.9076 -12.9076 -5.2005 -5.2005 -4.2089 -4.2089 0.6018 0.6018 2.9289 2.9289 4.5657 4.5657 4.8818 4.8818 5.6170 5.6170 6.2352 6.2352 6.4338 6.4338 7.2532 7.2532 8.6417 8.6417 10.4629 10.4629 12.0973 12.0973 12.1769 12.1769 k =-0.5000 0.1807 0.1346 ( 3770 PWs) bands (ev): -13.9973 -13.9973 -13.9964 -13.9964 -13.9664 -13.9664 -13.9520 -13.9520 -12.9718 -12.9718 -12.9708 -12.9708 -12.9452 -12.9452 -12.9280 -12.9280 -12.9221 -12.9221 -12.9078 -12.9078 -5.2128 -5.2128 -4.2130 -4.2130 0.6232 0.6232 3.0095 3.0095 4.5467 4.5467 4.8684 4.8684 5.6154 5.6154 6.2211 6.2211 6.3485 6.3485 7.2596 7.2596 8.6122 8.6122 10.5982 10.5982 12.0591 12.0591 12.2725 12.2725 k =-0.5000 0.1807 0.1154 ( 3774 PWs) bands (ev): -13.9973 -13.9973 -13.9964 -13.9964 -13.9666 -13.9666 -13.9520 -13.9520 -12.9719 -12.9719 -12.9709 -12.9709 -12.9451 -12.9451 -12.9283 -12.9283 -12.9217 -12.9217 -12.9079 -12.9079 -5.2234 -5.2234 -4.2167 -4.2167 0.6422 0.6422 3.0831 3.0831 4.5301 4.5301 4.8570 4.8570 5.6168 5.6168 6.1977 6.1977 6.2790 6.2790 7.2651 7.2651 8.5862 8.5862 10.7296 10.7296 12.0230 12.0230 12.3577 12.3577 k =-0.5000 0.1807 0.0961 ( 3786 PWs) bands (ev): -13.9973 -13.9973 -13.9964 -13.9964 -13.9667 -13.9667 -13.9520 -13.9520 -12.9719 -12.9719 -12.9709 -12.9709 -12.9450 -12.9450 -12.9286 -12.9286 -12.9214 -12.9214 -12.9080 -12.9080 -5.2325 -5.2325 -4.2199 -4.2199 0.6587 0.6587 3.1485 3.1485 4.5161 4.5161 4.8475 4.8475 5.6213 5.6213 6.1498 6.1498 6.2416 6.2416 7.2697 7.2697 8.5640 8.5640 10.8552 10.8552 11.9907 11.9907 12.4224 12.4224 k =-0.5000 0.1807 0.0769 ( 3796 PWs) bands (ev): -13.9973 -13.9973 -13.9964 -13.9964 -13.9668 -13.9668 -13.9520 -13.9520 -12.9719 -12.9719 -12.9710 -12.9710 -12.9450 -12.9450 -12.9289 -12.9289 -12.9212 -12.9212 -12.9081 -12.9081 -5.2400 -5.2400 -4.2226 -4.2226 0.6724 0.6724 3.2045 3.2045 4.5046 4.5046 4.8398 4.8398 5.6286 5.6286 6.0889 6.0889 6.2265 6.2265 7.2734 7.2734 8.5455 8.5455 10.9720 10.9720 11.9631 11.9631 12.4384 12.4384 k =-0.5000 0.1807 0.0577 ( 3792 PWs) bands (ev): -13.9973 -13.9973 -13.9964 -13.9964 -13.9669 -13.9669 -13.9519 -13.9519 -12.9719 -12.9719 -12.9711 -12.9711 -12.9449 -12.9449 -12.9291 -12.9291 -12.9210 -12.9210 -12.9082 -12.9082 -5.2458 -5.2458 -4.2248 -4.2248 0.6833 0.6833 3.2498 3.2498 4.4957 4.4957 4.8339 4.8339 5.6382 5.6382 6.0321 6.0321 6.2186 6.2186 7.2763 7.2763 8.5311 8.5311 11.0755 11.0755 11.9410 11.9410 12.3956 12.3956 k =-0.5000 0.1807 0.0385 ( 3796 PWs) bands (ev): -13.9973 -13.9973 -13.9964 -13.9964 -13.9669 -13.9669 -13.9519 -13.9519 -12.9719 -12.9719 -12.9711 -12.9711 -12.9449 -12.9449 -12.9292 -12.9292 -12.9208 -12.9208 -12.9082 -12.9082 -5.2499 -5.2499 -4.2263 -4.2263 0.6911 0.6911 3.2831 3.2831 4.4893 4.4893 4.8298 4.8298 5.6486 5.6486 5.9861 5.9861 6.2138 6.2138 7.2784 7.2784 8.5207 8.5207 11.1596 11.1596 11.9249 11.9249 12.3392 12.3392 k =-0.5000 0.1807 0.0192 ( 3792 PWs) bands (ev): -13.9973 -13.9973 -13.9964 -13.9964 -13.9669 -13.9669 -13.9519 -13.9519 -12.9720 -12.9720 -12.9711 -12.9711 -12.9449 -12.9449 -12.9293 -12.9293 -12.9207 -12.9207 -12.9083 -12.9083 -5.2524 -5.2524 -4.2273 -4.2273 0.6958 0.6958 3.3035 3.3035 4.4854 4.4854 4.8273 4.8273 5.6571 5.6571 5.9556 5.9556 6.2111 6.2111 7.2796 7.2796 8.5144 8.5144 11.2157 11.2157 11.9151 11.9151 12.2965 12.2965 k =-0.5000 0.1807 0.0000 ( 3784 PWs) bands (ev): -13.9973 -13.9973 -13.9964 -13.9964 -13.9670 -13.9670 -13.9519 -13.9519 -12.9720 -12.9720 -12.9711 -12.9711 -12.9448 -12.9448 -12.9294 -12.9294 -12.9207 -12.9207 -12.9083 -12.9083 -5.2532 -5.2532 -4.2276 -4.2276 0.6974 0.6974 3.3103 3.3103 4.4841 4.4841 4.8265 4.8265 5.6604 5.6604 5.9447 5.9447 6.2103 6.2103 7.2800 7.2800 8.5123 8.5123 11.2356 11.2356 11.9118 11.9118 12.2807 12.2807 k = 0.0000 0.0000 0.7306 ( 3762 PWs) bands (ev): -13.9958 -13.9958 -13.9958 -13.9958 -13.9581 -13.9581 -13.9581 -13.9581 -12.9696 -12.9696 -12.9696 -12.9696 -12.9348 -12.9348 -12.9348 -12.9348 -12.9152 -12.9152 -12.9152 -12.9152 -4.4410 -4.4410 -4.4410 -4.4410 0.9897 0.9897 0.9897 0.9897 4.3700 4.3700 4.3700 4.3700 6.0963 6.0963 6.0963 6.0963 7.5046 7.5046 7.5046 7.5046 9.1030 9.1030 9.1030 9.1030 9.9286 9.9286 9.9286 9.9286 k =-0.0179 0.0065 0.7306 ( 3770 PWs) bands (ev): -13.9958 -13.9958 -13.9958 -13.9958 -13.9581 -13.9581 -13.9581 -13.9581 -12.9696 -12.9696 -12.9696 -12.9696 -12.9348 -12.9348 -12.9348 -12.9348 -12.9151 -12.9151 -12.9151 -12.9151 -4.4408 -4.4408 -4.4408 -4.4408 0.9872 0.9872 0.9872 0.9872 4.3748 4.3748 4.3748 4.3748 6.0959 6.0959 6.0959 6.0959 7.5028 7.5028 7.5028 7.5028 9.1058 9.1058 9.1058 9.1058 9.9302 9.9302 9.9302 9.9302 k =-0.0357 0.0129 0.7306 ( 3762 PWs) bands (ev): -13.9958 -13.9958 -13.9958 -13.9958 -13.9580 -13.9580 -13.9580 -13.9580 -12.9696 -12.9696 -12.9696 -12.9696 -12.9349 -12.9349 -12.9349 -12.9349 -12.9151 -12.9151 -12.9151 -12.9151 -4.4403 -4.4403 -4.4403 -4.4403 0.9798 0.9798 0.9798 0.9798 4.3893 4.3893 4.3893 4.3893 6.0947 6.0947 6.0947 6.0947 7.4973 7.4973 7.4973 7.4973 9.1140 9.1140 9.1140 9.1140 9.9350 9.9350 9.9350 9.9350 k =-0.0536 0.0194 0.7306 ( 3762 PWs) bands (ev): -13.9958 -13.9958 -13.9958 -13.9958 -13.9580 -13.9580 -13.9580 -13.9580 -12.9696 -12.9696 -12.9696 -12.9696 -12.9350 -12.9350 -12.9350 -12.9350 -12.9150 -12.9150 -12.9150 -12.9150 -4.4393 -4.4393 -4.4393 -4.4393 0.9676 0.9676 0.9676 0.9676 4.4131 4.4131 4.4131 4.4131 6.0926 6.0926 6.0926 6.0926 7.4884 7.4884 7.4884 7.4884 9.1275 9.1275 9.1275 9.1275 9.9428 9.9428 9.9428 9.9428 k =-0.0714 0.0258 0.7306 ( 3762 PWs) bands (ev): -13.9958 -13.9958 -13.9958 -13.9958 -13.9580 -13.9580 -13.9580 -13.9580 -12.9696 -12.9696 -12.9696 -12.9696 -12.9352 -12.9352 -12.9352 -12.9352 -12.9148 -12.9148 -12.9148 -12.9148 -4.4381 -4.4381 -4.4381 -4.4381 0.9509 0.9509 0.9509 0.9509 4.4460 4.4460 4.4460 4.4460 6.0898 6.0898 6.0898 6.0898 7.4761 7.4761 7.4761 7.4761 9.1459 9.1459 9.1459 9.1459 9.9536 9.9536 9.9536 9.9536 k =-0.0893 0.0323 0.7306 ( 3766 PWs) bands (ev): -13.9959 -13.9959 -13.9959 -13.9959 -13.9580 -13.9580 -13.9580 -13.9580 -12.9696 -12.9696 -12.9696 -12.9696 -12.9353 -12.9353 -12.9353 -12.9353 -12.9146 -12.9146 -12.9146 -12.9146 -4.4364 -4.4364 -4.4364 -4.4364 0.9302 0.9302 0.9302 0.9302 4.4875 4.4875 4.4875 4.4875 6.0862 6.0862 6.0862 6.0862 7.4608 7.4608 7.4608 7.4608 9.1689 9.1689 9.1689 9.1689 9.9673 9.9673 9.9673 9.9673 k =-0.1071 0.0387 0.7306 ( 3770 PWs) bands (ev): -13.9959 -13.9959 -13.9959 -13.9959 -13.9579 -13.9579 -13.9579 -13.9579 -12.9695 -12.9695 -12.9695 -12.9695 -12.9356 -12.9356 -12.9356 -12.9356 -12.9144 -12.9144 -12.9144 -12.9144 -4.4345 -4.4345 -4.4345 -4.4345 0.9059 0.9059 0.9059 0.9059 4.5371 4.5371 4.5371 4.5371 6.0819 6.0819 6.0819 6.0819 7.4428 7.4428 7.4428 7.4428 9.1961 9.1961 9.1961 9.1961 9.9838 9.9838 9.9838 9.9838 k =-0.1250 0.0452 0.7306 ( 3762 PWs) bands (ev): -13.9959 -13.9959 -13.9959 -13.9959 -13.9579 -13.9579 -13.9579 -13.9579 -12.9695 -12.9695 -12.9695 -12.9695 -12.9358 -12.9358 -12.9358 -12.9358 -12.9142 -12.9142 -12.9142 -12.9142 -4.4323 -4.4323 -4.4323 -4.4323 0.8784 0.8784 0.8784 0.8784 4.5942 4.5942 4.5942 4.5942 6.0771 6.0771 6.0771 6.0771 7.4225 7.4225 7.4225 7.4225 9.2268 9.2268 9.2268 9.2268 10.0028 10.0028 10.0028 10.0028 k =-0.1429 0.0516 0.7306 ( 3766 PWs) bands (ev): -13.9960 -13.9960 -13.9960 -13.9960 -13.9578 -13.9578 -13.9578 -13.9578 -12.9695 -12.9695 -12.9695 -12.9695 -12.9361 -12.9361 -12.9361 -12.9361 -12.9139 -12.9139 -12.9139 -12.9139 -4.4298 -4.4298 -4.4298 -4.4298 0.8484 0.8484 0.8484 0.8484 4.6582 4.6582 4.6582 4.6582 6.0716 6.0716 6.0716 6.0716 7.4000 7.4000 7.4000 7.4000 9.2606 9.2606 9.2606 9.2606 10.0241 10.0241 10.0241 10.0241 k =-0.1607 0.0581 0.7306 ( 3774 PWs) bands (ev): -13.9960 -13.9960 -13.9960 -13.9960 -13.9578 -13.9578 -13.9578 -13.9578 -12.9694 -12.9694 -12.9694 -12.9694 -12.9364 -12.9364 -12.9364 -12.9364 -12.9136 -12.9136 -12.9136 -12.9136 -4.4270 -4.4270 -4.4270 -4.4270 0.8164 0.8164 0.8164 0.8164 4.7283 4.7283 4.7283 4.7283 6.0658 6.0658 6.0658 6.0658 7.3758 7.3758 7.3758 7.3758 9.2968 9.2968 9.2968 9.2968 10.0476 10.0476 10.0476 10.0476 k =-0.1786 0.0645 0.7306 ( 3770 PWs) bands (ev): -13.9961 -13.9961 -13.9961 -13.9961 -13.9577 -13.9577 -13.9577 -13.9577 -12.9694 -12.9694 -12.9694 -12.9694 -12.9367 -12.9367 -12.9367 -12.9367 -12.9133 -12.9133 -12.9133 -12.9133 -4.4241 -4.4241 -4.4241 -4.4241 0.7828 0.7828 0.7828 0.7828 4.8040 4.8040 4.8040 4.8040 6.0595 6.0595 6.0595 6.0595 7.3501 7.3501 7.3501 7.3501 9.3349 9.3349 9.3349 9.3349 10.0729 10.0729 10.0729 10.0729 k =-0.1964 0.0710 0.7306 ( 3774 PWs) bands (ev): -13.9961 -13.9961 -13.9961 -13.9961 -13.9576 -13.9576 -13.9576 -13.9576 -12.9693 -12.9693 -12.9693 -12.9693 -12.9370 -12.9370 -12.9370 -12.9370 -12.9130 -12.9130 -12.9130 -12.9130 -4.4209 -4.4209 -4.4209 -4.4209 0.7483 0.7483 0.7483 0.7483 4.8844 4.8844 4.8844 4.8844 6.0529 6.0529 6.0529 6.0529 7.3231 7.3231 7.3231 7.3231 9.3742 9.3742 9.3742 9.3742 10.0997 10.0997 10.0997 10.0997 k =-0.2143 0.0774 0.7306 ( 3770 PWs) bands (ev): -13.9962 -13.9962 -13.9962 -13.9962 -13.9576 -13.9576 -13.9576 -13.9576 -12.9693 -12.9693 -12.9693 -12.9693 -12.9373 -12.9373 -12.9373 -12.9373 -12.9127 -12.9127 -12.9127 -12.9127 -4.4176 -4.4176 -4.4176 -4.4176 0.7133 0.7133 0.7133 0.7133 4.9690 4.9690 4.9690 4.9690 6.0461 6.0461 6.0461 6.0461 7.2950 7.2950 7.2950 7.2950 9.4141 9.4141 9.4141 9.4141 10.1276 10.1276 10.1276 10.1276 k =-0.2321 0.0839 0.7306 ( 3768 PWs) bands (ev): -13.9962 -13.9962 -13.9962 -13.9962 -13.9575 -13.9575 -13.9575 -13.9575 -12.9693 -12.9693 -12.9693 -12.9693 -12.9376 -12.9376 -12.9376 -12.9376 -12.9123 -12.9123 -12.9123 -12.9123 -4.4143 -4.4143 -4.4143 -4.4143 0.6782 0.6782 0.6782 0.6782 5.0569 5.0569 5.0569 5.0569 6.0393 6.0393 6.0393 6.0393 7.2661 7.2661 7.2661 7.2661 9.4540 9.4540 9.4540 9.4540 10.1564 10.1564 10.1564 10.1564 k =-0.2500 0.0903 0.7306 ( 3766 PWs) bands (ev): -13.9963 -13.9963 -13.9963 -13.9963 -13.9574 -13.9574 -13.9574 -13.9574 -12.9692 -12.9692 -12.9692 -12.9692 -12.9379 -12.9379 -12.9379 -12.9379 -12.9120 -12.9120 -12.9120 -12.9120 -4.4108 -4.4108 -4.4108 -4.4108 0.6436 0.6436 0.6436 0.6436 5.1474 5.1474 5.1474 5.1474 6.0324 6.0324 6.0324 6.0324 7.2363 7.2363 7.2363 7.2363 9.4932 9.4932 9.4932 9.4932 10.1855 10.1855 10.1855 10.1855 k =-0.2679 0.0968 0.7306 ( 3766 PWs) bands (ev): -13.9963 -13.9963 -13.9963 -13.9963 -13.9574 -13.9574 -13.9574 -13.9574 -12.9692 -12.9692 -12.9692 -12.9692 -12.9382 -12.9382 -12.9382 -12.9382 -12.9117 -12.9117 -12.9117 -12.9117 -4.4074 -4.4074 -4.4074 -4.4074 0.6097 0.6097 0.6097 0.6097 5.2399 5.2399 5.2399 5.2399 6.0255 6.0255 6.0255 6.0255 7.2058 7.2058 7.2058 7.2058 9.5310 9.5310 9.5310 9.5310 10.2147 10.2147 10.2147 10.2147 k =-0.2857 0.1032 0.7306 ( 3760 PWs) bands (ev): -13.9964 -13.9964 -13.9964 -13.9964 -13.9573 -13.9573 -13.9573 -13.9573 -12.9691 -12.9691 -12.9691 -12.9691 -12.9385 -12.9385 -12.9385 -12.9385 -12.9114 -12.9114 -12.9114 -12.9114 -4.4040 -4.4040 -4.4040 -4.4040 0.5770 0.5770 0.5770 0.5770 5.3335 5.3335 5.3335 5.3335 6.0189 6.0189 6.0189 6.0189 7.1747 7.1747 7.1747 7.1747 9.5669 9.5669 9.5669 9.5669 10.2434 10.2434 10.2434 10.2434 k =-0.3036 0.1097 0.7306 ( 3764 PWs) bands (ev): -13.9964 -13.9964 -13.9964 -13.9964 -13.9572 -13.9572 -13.9572 -13.9572 -12.9691 -12.9691 -12.9691 -12.9691 -12.9388 -12.9388 -12.9388 -12.9388 -12.9111 -12.9111 -12.9111 -12.9111 -4.4006 -4.4006 -4.4006 -4.4006 0.5458 0.5458 0.5458 0.5458 5.4275 5.4275 5.4275 5.4275 6.0125 6.0125 6.0125 6.0125 7.1429 7.1429 7.1429 7.1429 9.6002 9.6002 9.6002 9.6002 10.2712 10.2712 10.2712 10.2712 k =-0.3214 0.1161 0.7306 ( 3768 PWs) bands (ev): -13.9964 -13.9964 -13.9964 -13.9964 -13.9572 -13.9572 -13.9572 -13.9572 -12.9690 -12.9690 -12.9690 -12.9690 -12.9391 -12.9391 -12.9391 -12.9391 -12.9109 -12.9109 -12.9109 -12.9109 -4.3974 -4.3974 -4.3974 -4.3974 0.5164 0.5164 0.5164 0.5164 5.5210 5.5210 5.5210 5.5210 6.0064 6.0064 6.0064 6.0064 7.1106 7.1106 7.1106 7.1106 9.6303 9.6303 9.6303 9.6303 10.2976 10.2976 10.2976 10.2976 k =-0.3393 0.1226 0.7306 ( 3776 PWs) bands (ev): -13.9965 -13.9965 -13.9965 -13.9965 -13.9571 -13.9571 -13.9571 -13.9571 -12.9690 -12.9690 -12.9690 -12.9690 -12.9393 -12.9393 -12.9393 -12.9393 -12.9106 -12.9106 -12.9106 -12.9106 -4.3943 -4.3943 -4.3943 -4.3943 0.4891 0.4891 0.4891 0.4891 5.6131 5.6131 5.6131 5.6131 6.0009 6.0009 6.0009 6.0009 7.0776 7.0776 7.0776 7.0776 9.6568 9.6568 9.6568 9.6568 10.3223 10.3223 10.3223 10.3223 k =-0.3571 0.1290 0.7306 ( 3780 PWs) bands (ev): -13.9965 -13.9965 -13.9965 -13.9965 -13.9571 -13.9571 -13.9571 -13.9571 -12.9689 -12.9689 -12.9689 -12.9689 -12.9395 -12.9395 -12.9395 -12.9395 -12.9104 -12.9104 -12.9104 -12.9104 -4.3914 -4.3914 -4.3914 -4.3914 0.4640 0.4640 0.4640 0.4640 5.7027 5.7027 5.7027 5.7027 5.9960 5.9960 5.9960 5.9960 7.0441 7.0441 7.0441 7.0441 9.6793 9.6793 9.6793 9.6793 10.3449 10.3449 10.3449 10.3449 k =-0.3750 0.1355 0.7306 ( 3776 PWs) bands (ev): -13.9966 -13.9966 -13.9966 -13.9966 -13.9570 -13.9570 -13.9570 -13.9570 -12.9689 -12.9689 -12.9689 -12.9689 -12.9398 -12.9398 -12.9398 -12.9398 -12.9102 -12.9102 -12.9102 -12.9102 -4.3888 -4.3888 -4.3888 -4.3888 0.4414 0.4414 0.4414 0.4414 5.7884 5.7884 5.7884 5.7884 5.9921 5.9921 5.9921 5.9921 7.0103 7.0103 7.0103 7.0103 9.6976 9.6976 9.6976 9.6976 10.3651 10.3651 10.3651 10.3651 k =-0.3929 0.1419 0.7306 ( 3792 PWs) bands (ev): -13.9966 -13.9966 -13.9966 -13.9966 -13.9570 -13.9570 -13.9570 -13.9570 -12.9689 -12.9689 -12.9689 -12.9689 -12.9399 -12.9399 -12.9399 -12.9399 -12.9100 -12.9100 -12.9100 -12.9100 -4.3864 -4.3864 -4.3864 -4.3864 0.4214 0.4214 0.4214 0.4214 5.8681 5.8681 5.8681 5.8681 5.9901 5.9901 5.9901 5.9901 6.9765 6.9765 6.9765 6.9765 9.7117 9.7117 9.7117 9.7117 10.3826 10.3826 10.3826 10.3826 k =-0.4107 0.1484 0.7306 ( 3784 PWs) bands (ev): -13.9966 -13.9966 -13.9966 -13.9966 -13.9569 -13.9569 -13.9569 -13.9569 -12.9688 -12.9688 -12.9688 -12.9688 -12.9401 -12.9401 -12.9401 -12.9401 -12.9098 -12.9098 -12.9098 -12.9098 -4.3844 -4.3844 -4.3844 -4.3844 0.4043 0.4043 0.4043 0.4043 5.9350 5.9350 5.9350 5.9350 5.9955 5.9955 5.9955 5.9955 6.9433 6.9433 6.9433 6.9433 9.7220 9.7220 9.7220 9.7220 10.3973 10.3973 10.3973 10.3973 k =-0.4286 0.1549 0.7306 ( 3790 PWs) bands (ev): -13.9967 -13.9967 -13.9967 -13.9967 -13.9569 -13.9569 -13.9569 -13.9569 -12.9688 -12.9688 -12.9688 -12.9688 -12.9402 -12.9402 -12.9402 -12.9402 -12.9097 -12.9097 -12.9097 -12.9097 -4.3827 -4.3827 -4.3827 -4.3827 0.3901 0.3901 0.3901 0.3901 5.9644 5.9644 5.9644 5.9644 6.0309 6.0309 6.0309 6.0309 6.9117 6.9117 6.9117 6.9117 9.7290 9.7290 9.7290 9.7290 10.4093 10.4093 10.4093 10.4093 k =-0.4464 0.1613 0.7306 ( 3786 PWs) bands (ev): -13.9967 -13.9967 -13.9967 -13.9967 -13.9569 -13.9569 -13.9569 -13.9569 -12.9688 -12.9688 -12.9688 -12.9688 -12.9403 -12.9403 -12.9403 -12.9403 -12.9096 -12.9096 -12.9096 -12.9096 -4.3813 -4.3813 -4.3813 -4.3813 0.3790 0.3790 0.3790 0.3790 5.9683 5.9683 5.9683 5.9683 6.0823 6.0823 6.0823 6.0823 6.8833 6.8833 6.8833 6.8833 9.7333 9.7333 9.7333 9.7333 10.4185 10.4185 10.4185 10.4185 k =-0.4643 0.1678 0.7306 ( 3772 PWs) bands (ev): -13.9967 -13.9967 -13.9967 -13.9967 -13.9568 -13.9568 -13.9568 -13.9568 -12.9688 -12.9688 -12.9688 -12.9688 -12.9404 -12.9404 -12.9404 -12.9404 -12.9095 -12.9095 -12.9095 -12.9095 -4.3803 -4.3803 -4.3803 -4.3803 0.3709 0.3709 0.3709 0.3709 5.9683 5.9683 5.9683 5.9683 6.1251 6.1251 6.1251 6.1251 6.8601 6.8601 6.8601 6.8601 9.7357 9.7357 9.7357 9.7357 10.4250 10.4250 10.4250 10.4250 k =-0.4821 0.1742 0.7306 ( 3772 PWs) bands (ev): -13.9967 -13.9967 -13.9967 -13.9967 -13.9568 -13.9568 -13.9568 -13.9568 -12.9688 -12.9688 -12.9688 -12.9688 -12.9405 -12.9405 -12.9405 -12.9405 -12.9095 -12.9095 -12.9095 -12.9095 -4.3797 -4.3797 -4.3797 -4.3797 0.3661 0.3661 0.3661 0.3661 5.9679 5.9679 5.9679 5.9679 6.1528 6.1528 6.1528 6.1528 6.8447 6.8447 6.8447 6.8447 9.7368 9.7368 9.7368 9.7368 10.4288 10.4288 10.4288 10.4288 k =-0.5000 0.1807 0.7306 ( 3764 PWs) bands (ev): -13.9967 -13.9967 -13.9967 -13.9967 -13.9568 -13.9568 -13.9568 -13.9568 -12.9688 -12.9688 -12.9688 -12.9688 -12.9405 -12.9405 -12.9405 -12.9405 -12.9095 -12.9095 -12.9095 -12.9095 -4.3795 -4.3795 -4.3795 -4.3795 0.3645 0.3645 0.3645 0.3645 5.9678 5.9678 5.9678 5.9678 6.1625 6.1625 6.1625 6.1625 6.8392 6.8392 6.8392 6.8392 9.7371 9.7371 9.7371 9.7371 10.4301 10.4301 10.4301 10.4301 Writing output data file SnS.save init_run : 3.08s CPU 13.55s WALL ( 1 calls) electrons : 597.25s CPU 604.59s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.29s CPU 1.40s WALL ( 1 calls) Called by electrons: c_bands : 597.21s CPU 604.36s WALL ( 1 calls) v_of_rho : 0.05s CPU 0.86s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.05s CPU 0.46s WALL ( 1 calls) newd : 0.36s CPU 0.50s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.22s WALL ( 402 calls) cegterg : 541.08s CPU 545.04s WALL ( 762 calls) Called by sum_band: Called by *egterg: h_psi : 271.18s CPU 278.35s WALL ( 11674 calls) s_psi : 31.13s CPU 31.57s WALL ( 11674 calls) g_psi : 0.62s CPU 0.64s WALL ( 10510 calls) cdiaghg : 173.15s CPU 171.28s WALL ( 10912 calls) cegterg:over : 45.60s CPU 42.36s WALL ( 10510 calls) cegterg:upda : 9.10s CPU 12.22s WALL ( 10510 calls) cegterg:last : 8.46s CPU 9.21s WALL ( 1969 calls) Called by h_psi: h_psi:vloc : 214.21s CPU 219.93s WALL ( 11674 calls) h_psi:vnl : 56.73s CPU 57.81s WALL ( 11674 calls) add_vuspsi : 20.16s CPU 24.06s WALL ( 11674 calls) General routines calbec : 36.54s CPU 33.66s WALL ( 11674 calls) fft : 0.18s CPU 1.17s WALL ( 19 calls) ffts : 0.00s CPU 0.10s WALL ( 4 calls) fftw : 204.15s CPU 208.68s WALL ( 1156240 calls) interpolate : 0.01s CPU 0.13s WALL ( 4 calls) davcio : 0.04s CPU 1.85s WALL ( 804 calls) Parallel routines fft_scatter : 118.20s CPU 120.05s WALL ( 1156263 calls) PWSCF : 10m58.29s CPU 12m45.70s WALL This run was terminated on: 4:12:50 21Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=