Program PWSCF v.5.1.1 starts on 22Nov2015 at 11:57:35 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: ./Ge2N2O.save/ 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 49 28 8 1713 748 116 Max 50 29 9 1716 762 120 Sum 2359 1365 389 82311 36319 5673 bravais-lattice index = 14 lattice parameter (alat) = 10.2231 a.u. unit-cell volume = 835.4707 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.223098 celldm(2)= 1.000000 celldm(3)= 0.895592 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.487507 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.487507 0.873119 0.000000 ) a(3) = ( 0.000000 0.000000 0.895592 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.558351 -0.000000 ) b(2) = ( 0.000000 1.145319 -0.000000 ) b(3) = ( 0.000000 0.000000 1.116580 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 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 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) O 6.00 15.99940 O( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops. (no inversion) found ( 1 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 ) ( -0.4477959 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 C2 2 -E -1 -C2 -2 Cartesian axes number of k points= 368 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 2) = ( 0.0086188 0.0146836 -0.0000000), wk = 0.0027174 k( 3) = ( 0.0172376 0.0293672 -0.0000000), wk = 0.0027174 k( 4) = ( 0.0258564 0.0440507 -0.0000000), wk = 0.0027174 k( 5) = ( 0.0344752 0.0587343 -0.0000000), wk = 0.0027174 k( 6) = ( 0.0430940 0.0734179 -0.0000000), wk = 0.0027174 k( 7) = ( 0.0517128 0.0881015 -0.0000000), wk = 0.0027174 k( 8) = ( 0.0603315 0.1027850 -0.0000000), wk = 0.0027174 k( 9) = ( 0.0689503 0.1174686 -0.0000000), wk = 0.0027174 k( 10) = ( 0.0775691 0.1321522 -0.0000000), wk = 0.0027174 k( 11) = ( 0.0861879 0.1468358 -0.0000000), wk = 0.0027174 k( 12) = ( 0.0948067 0.1615194 -0.0000000), wk = 0.0027174 k( 13) = ( 0.1034255 0.1762029 -0.0000000), wk = 0.0027174 k( 14) = ( 0.1120443 0.1908865 -0.0000000), wk = 0.0027174 k( 15) = ( 0.1206631 0.2055701 -0.0000000), wk = 0.0027174 k( 16) = ( 0.1292819 0.2202537 -0.0000000), wk = 0.0027174 k( 17) = ( 0.1379007 0.2349372 -0.0000000), wk = 0.0027174 k( 18) = ( 0.1465195 0.2496208 -0.0000000), wk = 0.0027174 k( 19) = ( 0.1551383 0.2643044 -0.0000000), wk = 0.0027174 k( 20) = ( 0.1637571 0.2789880 -0.0000000), wk = 0.0027174 k( 21) = ( 0.1723758 0.2936715 -0.0000000), wk = 0.0027174 k( 22) = ( 0.1809946 0.3083551 -0.0000000), wk = 0.0027174 k( 23) = ( 0.1896134 0.3230387 -0.0000000), wk = 0.0027174 k( 24) = ( 0.1982322 0.3377223 -0.0000000), wk = 0.0027174 k( 25) = ( 0.2068510 0.3524059 -0.0000000), wk = 0.0027174 k( 26) = ( 0.2154698 0.3670894 -0.0000000), wk = 0.0027174 k( 27) = ( 0.2240886 0.3817730 -0.0000000), wk = 0.0027174 k( 28) = ( 0.2327074 0.3964566 -0.0000000), wk = 0.0027174 k( 29) = ( 0.2413262 0.4111402 -0.0000000), wk = 0.0027174 k( 30) = ( 0.2499450 0.4258237 -0.0000000), wk = 0.0027174 k( 31) = ( 0.2585638 0.4405073 -0.0000000), wk = 0.0027174 k( 32) = ( 0.2671826 0.4551909 -0.0000000), wk = 0.0027174 k( 33) = ( 0.2758014 0.4698745 -0.0000000), wk = 0.0027174 k( 34) = ( 0.2844201 0.4845580 -0.0000000), wk = 0.0027174 k( 35) = ( 0.2930390 0.4992416 -0.0000000), wk = 0.0027174 k( 36) = ( 0.3016577 0.5139252 -0.0000000), wk = 0.0027174 k( 37) = ( 0.3102765 0.5286088 -0.0000000), wk = 0.0027174 k( 38) = ( 0.3188953 0.5432924 -0.0000000), wk = 0.0027174 k( 39) = ( 0.3275141 0.5579759 -0.0000000), wk = 0.0027174 k( 40) = ( 0.3361329 0.5726595 -0.0000000), wk = 0.0027174 k( 41) = ( 0.3361329 0.5726595 -0.0000000), wk = 0.0027174 k( 42) = ( 0.3193263 0.5726595 -0.0000000), wk = 0.0027174 k( 43) = ( 0.3025196 0.5726595 -0.0000000), wk = 0.0027174 k( 44) = ( 0.2857130 0.5726595 -0.0000000), wk = 0.0027174 k( 45) = ( 0.2689063 0.5726595 -0.0000000), wk = 0.0027174 k( 46) = ( 0.2520997 0.5726595 -0.0000000), wk = 0.0027174 k( 47) = ( 0.2352930 0.5726595 -0.0000000), wk = 0.0027174 k( 48) = ( 0.2184864 0.5726595 -0.0000000), wk = 0.0027174 k( 49) = ( 0.2016797 0.5726595 -0.0000000), wk = 0.0027174 k( 50) = ( 0.1848731 0.5726595 -0.0000000), wk = 0.0027174 k( 51) = ( 0.1680665 0.5726595 -0.0000000), wk = 0.0027174 k( 52) = ( 0.1512598 0.5726595 -0.0000000), wk = 0.0027174 k( 53) = ( 0.1344532 0.5726595 -0.0000000), wk = 0.0027174 k( 54) = ( 0.1176465 0.5726595 -0.0000000), wk = 0.0027174 k( 55) = ( 0.1008399 0.5726595 -0.0000000), wk = 0.0027174 k( 56) = ( 0.0840332 0.5726595 -0.0000000), wk = 0.0027174 k( 57) = ( 0.0672266 0.5726595 -0.0000000), wk = 0.0027174 k( 58) = ( 0.0504199 0.5726595 -0.0000000), wk = 0.0027174 k( 59) = ( 0.0336133 0.5726595 -0.0000000), wk = 0.0027174 k( 60) = ( 0.0168066 0.5726595 -0.0000000), wk = 0.0027174 k( 61) = ( 0.0000000 0.5726595 -0.0000000), wk = 0.0027174 k( 62) = ( 0.0000000 0.5726595 -0.0000000), wk = 0.0027174 k( 63) = ( 0.0000000 0.5726595 0.0169179), wk = 0.0027174 k( 64) = ( 0.0000000 0.5726595 0.0338358), wk = 0.0027174 k( 65) = ( 0.0000000 0.5726595 0.0507537), wk = 0.0027174 k( 66) = ( 0.0000000 0.5726595 0.0676715), wk = 0.0027174 k( 67) = ( 0.0000000 0.5726595 0.0845894), wk = 0.0027174 k( 68) = ( 0.0000000 0.5726595 0.1015073), wk = 0.0027174 k( 69) = ( 0.0000000 0.5726595 0.1184252), wk = 0.0027174 k( 70) = ( 0.0000000 0.5726595 0.1353431), wk = 0.0027174 k( 71) = ( 0.0000000 0.5726595 0.1522609), wk = 0.0027174 k( 72) = ( 0.0000000 0.5726595 0.1691788), wk = 0.0027174 k( 73) = ( 0.0000000 0.5726595 0.1860967), wk = 0.0027174 k( 74) = ( 0.0000000 0.5726595 0.2030146), wk = 0.0027174 k( 75) = ( 0.0000000 0.5726595 0.2199325), wk = 0.0027174 k( 76) = ( 0.0000000 0.5726595 0.2368503), wk = 0.0027174 k( 77) = ( 0.0000000 0.5726595 0.2537682), wk = 0.0027174 k( 78) = ( 0.0000000 0.5726595 0.2706861), wk = 0.0027174 k( 79) = ( 0.0000000 0.5726595 0.2876040), wk = 0.0027174 k( 80) = ( 0.0000000 0.5726595 0.3045219), wk = 0.0027174 k( 81) = ( 0.0000000 0.5726595 0.3214398), wk = 0.0027174 k( 82) = ( 0.0000000 0.5726595 0.3383576), wk = 0.0027174 k( 83) = ( 0.0000000 0.5726595 0.3552755), wk = 0.0027174 k( 84) = ( 0.0000000 0.5726595 0.3721934), wk = 0.0027174 k( 85) = ( 0.0000000 0.5726595 0.3891113), wk = 0.0027174 k( 86) = ( 0.0000000 0.5726595 0.4060292), wk = 0.0027174 k( 87) = ( 0.0000000 0.5726595 0.4229470), wk = 0.0027174 k( 88) = ( 0.0000000 0.5726595 0.4398649), wk = 0.0027174 k( 89) = ( 0.0000000 0.5726595 0.4567828), wk = 0.0027174 k( 90) = ( 0.0000000 0.5726595 0.4737007), wk = 0.0027174 k( 91) = ( 0.0000000 0.5726595 0.4906186), wk = 0.0027174 k( 92) = ( 0.0000000 0.5726595 0.5075365), wk = 0.0027174 k( 93) = ( 0.0000000 0.5726595 0.5244543), wk = 0.0027174 k( 94) = ( 0.0000000 0.5726595 0.5413722), wk = 0.0027174 k( 95) = ( 0.0000000 0.5726595 0.5582901), wk = 0.0027174 k( 96) = ( 0.0000000 0.5726595 0.5582901), wk = 0.0027174 k( 97) = ( 0.0168066 0.5726595 0.5582901), wk = 0.0027174 k( 98) = ( 0.0336133 0.5726595 0.5582901), wk = 0.0027174 k( 99) = ( 0.0504199 0.5726595 0.5582901), wk = 0.0027174 k( 100) = ( 0.0672266 0.5726595 0.5582901), wk = 0.0027174 k( 101) = ( 0.0840332 0.5726595 0.5582901), wk = 0.0027174 k( 102) = ( 0.1008399 0.5726595 0.5582901), wk = 0.0027174 k( 103) = ( 0.1176465 0.5726595 0.5582901), wk = 0.0027174 k( 104) = ( 0.1344532 0.5726595 0.5582901), wk = 0.0027174 k( 105) = ( 0.1512598 0.5726595 0.5582901), wk = 0.0027174 k( 106) = ( 0.1680665 0.5726595 0.5582901), wk = 0.0027174 k( 107) = ( 0.1848731 0.5726595 0.5582901), wk = 0.0027174 k( 108) = ( 0.2016797 0.5726595 0.5582901), wk = 0.0027174 k( 109) = ( 0.2184864 0.5726595 0.5582901), wk = 0.0027174 k( 110) = ( 0.2352930 0.5726595 0.5582901), wk = 0.0027174 k( 111) = ( 0.2520997 0.5726595 0.5582901), wk = 0.0027174 k( 112) = ( 0.2689063 0.5726595 0.5582901), wk = 0.0027174 k( 113) = ( 0.2857130 0.5726595 0.5582901), wk = 0.0027174 k( 114) = ( 0.3025196 0.5726595 0.5582901), wk = 0.0027174 k( 115) = ( 0.3193263 0.5726595 0.5582901), wk = 0.0027174 k( 116) = ( 0.3361329 0.5726595 0.5582901), wk = 0.0027174 k( 117) = ( 0.3361329 0.5726595 0.5582901), wk = 0.0027174 k( 118) = ( 0.3275141 0.5579759 0.5582901), wk = 0.0027174 k( 119) = ( 0.3188953 0.5432924 0.5582901), wk = 0.0027174 k( 120) = ( 0.3102765 0.5286088 0.5582901), wk = 0.0027174 k( 121) = ( 0.3016577 0.5139252 0.5582901), wk = 0.0027174 k( 122) = ( 0.2930390 0.4992416 0.5582901), wk = 0.0027174 k( 123) = ( 0.2844201 0.4845580 0.5582901), wk = 0.0027174 k( 124) = ( 0.2758014 0.4698745 0.5582901), wk = 0.0027174 k( 125) = ( 0.2671826 0.4551909 0.5582901), wk = 0.0027174 k( 126) = ( 0.2585638 0.4405073 0.5582901), wk = 0.0027174 k( 127) = ( 0.2499450 0.4258237 0.5582901), wk = 0.0027174 k( 128) = ( 0.2413262 0.4111402 0.5582901), wk = 0.0027174 k( 129) = ( 0.2327074 0.3964566 0.5582901), wk = 0.0027174 k( 130) = ( 0.2240886 0.3817730 0.5582901), wk = 0.0027174 k( 131) = ( 0.2154698 0.3670894 0.5582901), wk = 0.0027174 k( 132) = ( 0.2068510 0.3524059 0.5582901), wk = 0.0027174 k( 133) = ( 0.1982322 0.3377223 0.5582901), wk = 0.0027174 k( 134) = ( 0.1896134 0.3230387 0.5582901), wk = 0.0027174 k( 135) = ( 0.1809946 0.3083551 0.5582901), wk = 0.0027174 k( 136) = ( 0.1723758 0.2936715 0.5582901), wk = 0.0027174 k( 137) = ( 0.1637571 0.2789880 0.5582901), wk = 0.0027174 k( 138) = ( 0.1551383 0.2643044 0.5582901), wk = 0.0027174 k( 139) = ( 0.1465195 0.2496208 0.5582901), wk = 0.0027174 k( 140) = ( 0.1379007 0.2349372 0.5582901), wk = 0.0027174 k( 141) = ( 0.1292819 0.2202537 0.5582901), wk = 0.0027174 k( 142) = ( 0.1206631 0.2055701 0.5582901), wk = 0.0027174 k( 143) = ( 0.1120443 0.1908865 0.5582901), wk = 0.0027174 k( 144) = ( 0.1034255 0.1762029 0.5582901), wk = 0.0027174 k( 145) = ( 0.0948067 0.1615194 0.5582901), wk = 0.0027174 k( 146) = ( 0.0861879 0.1468358 0.5582901), wk = 0.0027174 k( 147) = ( 0.0775691 0.1321522 0.5582901), wk = 0.0027174 k( 148) = ( 0.0689503 0.1174686 0.5582901), wk = 0.0027174 k( 149) = ( 0.0603315 0.1027850 0.5582901), wk = 0.0027174 k( 150) = ( 0.0517128 0.0881015 0.5582901), wk = 0.0027174 k( 151) = ( 0.0430940 0.0734179 0.5582901), wk = 0.0027174 k( 152) = ( 0.0344752 0.0587343 0.5582901), wk = 0.0027174 k( 153) = ( 0.0258564 0.0440507 0.5582901), wk = 0.0027174 k( 154) = ( 0.0172376 0.0293672 0.5582901), wk = 0.0027174 k( 155) = ( 0.0086188 0.0146836 0.5582901), wk = 0.0027174 k( 156) = ( 0.0000000 0.0000000 0.5582901), wk = 0.0027174 k( 157) = ( 0.0000000 0.0000000 0.5582901), wk = 0.0027174 k( 158) = ( 0.0000000 0.0000000 0.5413722), wk = 0.0027174 k( 159) = ( 0.0000000 0.0000000 0.5244543), wk = 0.0027174 k( 160) = ( 0.0000000 0.0000000 0.5075365), wk = 0.0027174 k( 161) = ( 0.0000000 0.0000000 0.4906186), wk = 0.0027174 k( 162) = ( 0.0000000 0.0000000 0.4737007), wk = 0.0027174 k( 163) = ( 0.0000000 0.0000000 0.4567828), wk = 0.0027174 k( 164) = ( 0.0000000 0.0000000 0.4398649), wk = 0.0027174 k( 165) = ( 0.0000000 0.0000000 0.4229470), wk = 0.0027174 k( 166) = ( 0.0000000 0.0000000 0.4060292), wk = 0.0027174 k( 167) = ( 0.0000000 0.0000000 0.3891113), wk = 0.0027174 k( 168) = ( 0.0000000 0.0000000 0.3721934), wk = 0.0027174 k( 169) = ( 0.0000000 0.0000000 0.3552755), wk = 0.0027174 k( 170) = ( 0.0000000 0.0000000 0.3383576), wk = 0.0027174 k( 171) = ( 0.0000000 0.0000000 0.3214398), wk = 0.0027174 k( 172) = ( 0.0000000 0.0000000 0.3045219), wk = 0.0027174 k( 173) = ( 0.0000000 0.0000000 0.2876040), wk = 0.0027174 k( 174) = ( 0.0000000 0.0000000 0.2706861), wk = 0.0027174 k( 175) = ( 0.0000000 0.0000000 0.2537682), wk = 0.0027174 k( 176) = ( 0.0000000 0.0000000 0.2368503), wk = 0.0027174 k( 177) = ( 0.0000000 0.0000000 0.2199325), wk = 0.0027174 k( 178) = ( 0.0000000 0.0000000 0.2030146), wk = 0.0027174 k( 179) = ( 0.0000000 0.0000000 0.1860967), wk = 0.0027174 k( 180) = ( 0.0000000 0.0000000 0.1691788), wk = 0.0027174 k( 181) = ( 0.0000000 0.0000000 0.1522609), wk = 0.0027174 k( 182) = ( 0.0000000 0.0000000 0.1353431), wk = 0.0027174 k( 183) = ( 0.0000000 0.0000000 0.1184252), wk = 0.0027174 k( 184) = ( 0.0000000 0.0000000 0.1015073), wk = 0.0027174 k( 185) = ( 0.0000000 0.0000000 0.0845894), wk = 0.0027174 k( 186) = ( 0.0000000 0.0000000 0.0676715), wk = 0.0027174 k( 187) = ( 0.0000000 0.0000000 0.0507537), wk = 0.0027174 k( 188) = ( 0.0000000 0.0000000 0.0338358), wk = 0.0027174 k( 189) = ( 0.0000000 0.0000000 0.0169179), wk = 0.0027174 k( 190) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 191) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 192) = ( -0.0147059 0.0086319 0.0000000), wk = 0.0027174 k( 193) = ( -0.0294118 0.0172638 0.0000000), wk = 0.0027174 k( 194) = ( -0.0441177 0.0258957 0.0000000), wk = 0.0027174 k( 195) = ( -0.0588235 0.0345275 0.0000000), wk = 0.0027174 k( 196) = ( -0.0735294 0.0431594 0.0000000), wk = 0.0027174 k( 197) = ( -0.0882353 0.0517913 0.0000000), wk = 0.0027174 k( 198) = ( -0.1029412 0.0604232 0.0000000), wk = 0.0027174 k( 199) = ( -0.1176471 0.0690551 0.0000000), wk = 0.0027174 k( 200) = ( -0.1323529 0.0776870 0.0000000), wk = 0.0027174 k( 201) = ( -0.1470588 0.0863188 0.0000000), wk = 0.0027174 k( 202) = ( -0.1617647 0.0949507 0.0000000), wk = 0.0027174 k( 203) = ( -0.1764706 0.1035826 0.0000000), wk = 0.0027174 k( 204) = ( -0.1911765 0.1122145 0.0000000), wk = 0.0027174 k( 205) = ( -0.2058823 0.1208464 0.0000000), wk = 0.0027174 k( 206) = ( -0.2205882 0.1294783 0.0000000), wk = 0.0027174 k( 207) = ( -0.2352941 0.1381102 0.0000000), wk = 0.0027174 k( 208) = ( -0.2500000 0.1467420 0.0000000), wk = 0.0027174 k( 209) = ( -0.2647059 0.1553739 0.0000000), wk = 0.0027174 k( 210) = ( -0.2794118 0.1640058 0.0000000), wk = 0.0027174 k( 211) = ( -0.2941177 0.1726377 0.0000000), wk = 0.0027174 k( 212) = ( -0.3088235 0.1812696 0.0000000), wk = 0.0027174 k( 213) = ( -0.3235294 0.1899015 0.0000000), wk = 0.0027174 k( 214) = ( -0.3382353 0.1985333 0.0000000), wk = 0.0027174 k( 215) = ( -0.3529412 0.2071652 0.0000000), wk = 0.0027174 k( 216) = ( -0.3676471 0.2157971 0.0000000), wk = 0.0027174 k( 217) = ( -0.3823529 0.2244290 0.0000000), wk = 0.0027174 k( 218) = ( -0.3970588 0.2330609 0.0000000), wk = 0.0027174 k( 219) = ( -0.4117647 0.2416928 0.0000000), wk = 0.0027174 k( 220) = ( -0.4264706 0.2503247 0.0000000), wk = 0.0027174 k( 221) = ( -0.4411765 0.2589565 0.0000000), wk = 0.0027174 k( 222) = ( -0.4558823 0.2675884 0.0000000), wk = 0.0027174 k( 223) = ( -0.4705882 0.2762203 0.0000000), wk = 0.0027174 k( 224) = ( -0.4852941 0.2848522 0.0000000), wk = 0.0027174 k( 225) = ( -0.5000000 0.2934841 0.0000000), wk = 0.0027174 k( 226) = ( -0.5000000 0.2934841 0.0000000), wk = 0.0027174 k( 227) = ( -0.4913754 0.3081775 -0.0000000), wk = 0.0027174 k( 228) = ( -0.4827508 0.3228710 -0.0000000), wk = 0.0027174 k( 229) = ( -0.4741263 0.3375644 -0.0000000), wk = 0.0027174 k( 230) = ( -0.4655017 0.3522579 -0.0000000), wk = 0.0027174 k( 231) = ( -0.4568771 0.3669513 -0.0000000), wk = 0.0027174 k( 232) = ( -0.4482525 0.3816447 -0.0000000), wk = 0.0027174 k( 233) = ( -0.4396279 0.3963382 -0.0000000), wk = 0.0027174 k( 234) = ( -0.4310033 0.4110316 -0.0000000), wk = 0.0027174 k( 235) = ( -0.4223788 0.4257251 -0.0000000), wk = 0.0027174 k( 236) = ( -0.4137542 0.4404185 -0.0000000), wk = 0.0027174 k( 237) = ( -0.4051296 0.4551120 -0.0000000), wk = 0.0027174 k( 238) = ( -0.3965050 0.4698054 -0.0000000), wk = 0.0027174 k( 239) = ( -0.3878804 0.4844989 -0.0000000), wk = 0.0027174 k( 240) = ( -0.3792558 0.4991923 -0.0000000), wk = 0.0027174 k( 241) = ( -0.3706312 0.5138857 -0.0000000), wk = 0.0027174 k( 242) = ( -0.3620067 0.5285792 -0.0000000), wk = 0.0027174 k( 243) = ( -0.3533821 0.5432726 -0.0000000), wk = 0.0027174 k( 244) = ( -0.3447575 0.5579661 -0.0000000), wk = 0.0027174 k( 245) = ( -0.3361329 0.5726595 -0.0000000), wk = 0.0027174 k( 246) = ( -0.3361329 0.5726595 -0.0000000), wk = 0.0027174 k( 247) = ( -0.3361329 0.5726595 0.0169179), wk = 0.0027174 k( 248) = ( -0.3361329 0.5726595 0.0338358), wk = 0.0027174 k( 249) = ( -0.3361329 0.5726595 0.0507537), wk = 0.0027174 k( 250) = ( -0.3361329 0.5726595 0.0676715), wk = 0.0027174 k( 251) = ( -0.3361329 0.5726595 0.0845894), wk = 0.0027174 k( 252) = ( -0.3361329 0.5726595 0.1015073), wk = 0.0027174 k( 253) = ( -0.3361329 0.5726595 0.1184252), wk = 0.0027174 k( 254) = ( -0.3361329 0.5726595 0.1353431), wk = 0.0027174 k( 255) = ( -0.3361329 0.5726595 0.1522609), wk = 0.0027174 k( 256) = ( -0.3361329 0.5726595 0.1691788), wk = 0.0027174 k( 257) = ( -0.3361329 0.5726595 0.1860967), wk = 0.0027174 k( 258) = ( -0.3361329 0.5726595 0.2030146), wk = 0.0027174 k( 259) = ( -0.3361329 0.5726595 0.2199325), wk = 0.0027174 k( 260) = ( -0.3361329 0.5726595 0.2368503), wk = 0.0027174 k( 261) = ( -0.3361329 0.5726595 0.2537682), wk = 0.0027174 k( 262) = ( -0.3361329 0.5726595 0.2706861), wk = 0.0027174 k( 263) = ( -0.3361329 0.5726595 0.2876040), wk = 0.0027174 k( 264) = ( -0.3361329 0.5726595 0.3045219), wk = 0.0027174 k( 265) = ( -0.3361329 0.5726595 0.3214398), wk = 0.0027174 k( 266) = ( -0.3361329 0.5726595 0.3383576), wk = 0.0027174 k( 267) = ( -0.3361329 0.5726595 0.3552755), wk = 0.0027174 k( 268) = ( -0.3361329 0.5726595 0.3721934), wk = 0.0027174 k( 269) = ( -0.3361329 0.5726595 0.3891113), wk = 0.0027174 k( 270) = ( -0.3361329 0.5726595 0.4060292), wk = 0.0027174 k( 271) = ( -0.3361329 0.5726595 0.4229470), wk = 0.0027174 k( 272) = ( -0.3361329 0.5726595 0.4398649), wk = 0.0027174 k( 273) = ( -0.3361329 0.5726595 0.4567828), wk = 0.0027174 k( 274) = ( -0.3361329 0.5726595 0.4737007), wk = 0.0027174 k( 275) = ( -0.3361329 0.5726595 0.4906186), wk = 0.0027174 k( 276) = ( -0.3361329 0.5726595 0.5075365), wk = 0.0027174 k( 277) = ( -0.3361329 0.5726595 0.5244543), wk = 0.0027174 k( 278) = ( -0.3361329 0.5726595 0.5413722), wk = 0.0027174 k( 279) = ( -0.3361329 0.5726595 0.5582901), wk = 0.0027174 k( 280) = ( -0.3361329 0.5726595 0.5582901), wk = 0.0027174 k( 281) = ( -0.3447575 0.5579661 0.5582901), wk = 0.0027174 k( 282) = ( -0.3533821 0.5432726 0.5582901), wk = 0.0027174 k( 283) = ( -0.3620067 0.5285792 0.5582901), wk = 0.0027174 k( 284) = ( -0.3706312 0.5138857 0.5582901), wk = 0.0027174 k( 285) = ( -0.3792558 0.4991923 0.5582901), wk = 0.0027174 k( 286) = ( -0.3878804 0.4844989 0.5582901), wk = 0.0027174 k( 287) = ( -0.3965050 0.4698054 0.5582901), wk = 0.0027174 k( 288) = ( -0.4051296 0.4551120 0.5582901), wk = 0.0027174 k( 289) = ( -0.4137542 0.4404185 0.5582901), wk = 0.0027174 k( 290) = ( -0.4223788 0.4257251 0.5582901), wk = 0.0027174 k( 291) = ( -0.4310033 0.4110316 0.5582901), wk = 0.0027174 k( 292) = ( -0.4396279 0.3963382 0.5582901), wk = 0.0027174 k( 293) = ( -0.4482525 0.3816447 0.5582901), wk = 0.0027174 k( 294) = ( -0.4568771 0.3669513 0.5582901), wk = 0.0027174 k( 295) = ( -0.4655017 0.3522579 0.5582901), wk = 0.0027174 k( 296) = ( -0.4741263 0.3375644 0.5582901), wk = 0.0027174 k( 297) = ( -0.4827508 0.3228710 0.5582901), wk = 0.0027174 k( 298) = ( -0.4913754 0.3081775 0.5582901), wk = 0.0027174 k( 299) = ( -0.5000000 0.2934841 0.5582901), wk = 0.0027174 k( 300) = ( -0.5000000 0.2934841 0.5582901), wk = 0.0027174 k( 301) = ( -0.5000000 0.2934841 0.5413722), wk = 0.0027174 k( 302) = ( -0.5000000 0.2934841 0.5244543), wk = 0.0027174 k( 303) = ( -0.5000000 0.2934841 0.5075365), wk = 0.0027174 k( 304) = ( -0.5000000 0.2934841 0.4906186), wk = 0.0027174 k( 305) = ( -0.5000000 0.2934841 0.4737007), wk = 0.0027174 k( 306) = ( -0.5000000 0.2934841 0.4567828), wk = 0.0027174 k( 307) = ( -0.5000000 0.2934841 0.4398649), wk = 0.0027174 k( 308) = ( -0.5000000 0.2934841 0.4229470), wk = 0.0027174 k( 309) = ( -0.5000000 0.2934841 0.4060292), wk = 0.0027174 k( 310) = ( -0.5000000 0.2934841 0.3891113), wk = 0.0027174 k( 311) = ( -0.5000000 0.2934841 0.3721934), wk = 0.0027174 k( 312) = ( -0.5000000 0.2934841 0.3552755), wk = 0.0027174 k( 313) = ( -0.5000000 0.2934841 0.3383576), wk = 0.0027174 k( 314) = ( -0.5000000 0.2934841 0.3214398), wk = 0.0027174 k( 315) = ( -0.5000000 0.2934841 0.3045219), wk = 0.0027174 k( 316) = ( -0.5000000 0.2934841 0.2876040), wk = 0.0027174 k( 317) = ( -0.5000000 0.2934841 0.2706861), wk = 0.0027174 k( 318) = ( -0.5000000 0.2934841 0.2537682), wk = 0.0027174 k( 319) = ( -0.5000000 0.2934841 0.2368503), wk = 0.0027174 k( 320) = ( -0.5000000 0.2934841 0.2199325), wk = 0.0027174 k( 321) = ( -0.5000000 0.2934841 0.2030146), wk = 0.0027174 k( 322) = ( -0.5000000 0.2934841 0.1860967), wk = 0.0027174 k( 323) = ( -0.5000000 0.2934841 0.1691788), wk = 0.0027174 k( 324) = ( -0.5000000 0.2934841 0.1522609), wk = 0.0027174 k( 325) = ( -0.5000000 0.2934841 0.1353431), wk = 0.0027174 k( 326) = ( -0.5000000 0.2934841 0.1184252), wk = 0.0027174 k( 327) = ( -0.5000000 0.2934841 0.1015073), wk = 0.0027174 k( 328) = ( -0.5000000 0.2934841 0.0845894), wk = 0.0027174 k( 329) = ( -0.5000000 0.2934841 0.0676715), wk = 0.0027174 k( 330) = ( -0.5000000 0.2934841 0.0507537), wk = 0.0027174 k( 331) = ( -0.5000000 0.2934841 0.0338358), wk = 0.0027174 k( 332) = ( -0.5000000 0.2934841 0.0169179), wk = 0.0027174 k( 333) = ( -0.5000000 0.2934841 0.0000000), wk = 0.0027174 k( 334) = ( 0.0000000 0.0000000 0.5582901), wk = 0.0027174 k( 335) = ( -0.0147059 0.0086319 0.5582901), wk = 0.0027174 k( 336) = ( -0.0294118 0.0172638 0.5582901), wk = 0.0027174 k( 337) = ( -0.0441177 0.0258957 0.5582901), wk = 0.0027174 k( 338) = ( -0.0588235 0.0345275 0.5582901), wk = 0.0027174 k( 339) = ( -0.0735294 0.0431594 0.5582901), wk = 0.0027174 k( 340) = ( -0.0882353 0.0517913 0.5582901), wk = 0.0027174 k( 341) = ( -0.1029412 0.0604232 0.5582901), wk = 0.0027174 k( 342) = ( -0.1176471 0.0690551 0.5582901), wk = 0.0027174 k( 343) = ( -0.1323529 0.0776870 0.5582901), wk = 0.0027174 k( 344) = ( -0.1470588 0.0863188 0.5582901), wk = 0.0027174 k( 345) = ( -0.1617647 0.0949507 0.5582901), wk = 0.0027174 k( 346) = ( -0.1764706 0.1035826 0.5582901), wk = 0.0027174 k( 347) = ( -0.1911765 0.1122145 0.5582901), wk = 0.0027174 k( 348) = ( -0.2058823 0.1208464 0.5582901), wk = 0.0027174 k( 349) = ( -0.2205882 0.1294783 0.5582901), wk = 0.0027174 k( 350) = ( -0.2352941 0.1381102 0.5582901), wk = 0.0027174 k( 351) = ( -0.2500000 0.1467420 0.5582901), wk = 0.0027174 k( 352) = ( -0.2647059 0.1553739 0.5582901), wk = 0.0027174 k( 353) = ( -0.2794118 0.1640058 0.5582901), wk = 0.0027174 k( 354) = ( -0.2941177 0.1726377 0.5582901), wk = 0.0027174 k( 355) = ( -0.3088235 0.1812696 0.5582901), wk = 0.0027174 k( 356) = ( -0.3235294 0.1899015 0.5582901), wk = 0.0027174 k( 357) = ( -0.3382353 0.1985333 0.5582901), wk = 0.0027174 k( 358) = ( -0.3529412 0.2071652 0.5582901), wk = 0.0027174 k( 359) = ( -0.3676471 0.2157971 0.5582901), wk = 0.0027174 k( 360) = ( -0.3823529 0.2244290 0.5582901), wk = 0.0027174 k( 361) = ( -0.3970588 0.2330609 0.5582901), wk = 0.0027174 k( 362) = ( -0.4117647 0.2416928 0.5582901), wk = 0.0027174 k( 363) = ( -0.4264706 0.2503247 0.5582901), wk = 0.0027174 k( 364) = ( -0.4411765 0.2589565 0.5582901), wk = 0.0027174 k( 365) = ( -0.4558823 0.2675884 0.5582901), wk = 0.0027174 k( 366) = ( -0.4705882 0.2762203 0.5582901), wk = 0.0027174 k( 367) = ( -0.4852941 0.2848522 0.5582901), wk = 0.0027174 k( 368) = ( -0.5000000 0.2934841 0.5582901), wk = 0.0027174 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 2) = ( 0.0086188 0.0086188 0.0000000), wk = 0.0027174 k( 3) = ( 0.0172376 0.0172376 0.0000000), wk = 0.0027174 k( 4) = ( 0.0258564 0.0258564 -0.0000000), wk = 0.0027174 k( 5) = ( 0.0344752 0.0344752 0.0000000), wk = 0.0027174 k( 6) = ( 0.0430940 0.0430940 -0.0000000), wk = 0.0027174 k( 7) = ( 0.0517128 0.0517128 -0.0000000), wk = 0.0027174 k( 8) = ( 0.0603315 0.0603315 -0.0000000), wk = 0.0027174 k( 9) = ( 0.0689503 0.0689503 0.0000000), wk = 0.0027174 k( 10) = ( 0.0775691 0.0775691 0.0000000), wk = 0.0027174 k( 11) = ( 0.0861879 0.0861879 0.0000000), wk = 0.0027174 k( 12) = ( 0.0948067 0.0948067 -0.0000000), wk = 0.0027174 k( 13) = ( 0.1034255 0.1034255 0.0000000), wk = 0.0027174 k( 14) = ( 0.1120443 0.1120443 -0.0000000), wk = 0.0027174 k( 15) = ( 0.1206631 0.1206631 -0.0000000), wk = 0.0027174 k( 16) = ( 0.1292819 0.1292819 -0.0000000), wk = 0.0027174 k( 17) = ( 0.1379007 0.1379007 0.0000000), wk = 0.0027174 k( 18) = ( 0.1465195 0.1465195 -0.0000000), wk = 0.0027174 k( 19) = ( 0.1551383 0.1551383 -0.0000000), wk = 0.0027174 k( 20) = ( 0.1637571 0.1637571 -0.0000000), wk = 0.0027174 k( 21) = ( 0.1723758 0.1723758 0.0000000), wk = 0.0027174 k( 22) = ( 0.1809946 0.1809946 0.0000000), wk = 0.0027174 k( 23) = ( 0.1896134 0.1896134 -0.0000000), wk = 0.0027174 k( 24) = ( 0.1982322 0.1982322 -0.0000000), wk = 0.0027174 k( 25) = ( 0.2068510 0.2068510 0.0000000), wk = 0.0027174 k( 26) = ( 0.2154698 0.2154698 -0.0000000), wk = 0.0027174 k( 27) = ( 0.2240886 0.2240886 0.0000000), wk = 0.0027174 k( 28) = ( 0.2327074 0.2327074 0.0000000), wk = 0.0027174 k( 29) = ( 0.2413262 0.2413262 0.0000000), wk = 0.0027174 k( 30) = ( 0.2499450 0.2499450 -0.0000000), wk = 0.0027174 k( 31) = ( 0.2585638 0.2585638 -0.0000000), wk = 0.0027174 k( 32) = ( 0.2671826 0.2671826 0.0000000), wk = 0.0027174 k( 33) = ( 0.2758014 0.2758014 0.0000000), wk = 0.0027174 k( 34) = ( 0.2844201 0.2844201 -0.0000000), wk = 0.0027174 k( 35) = ( 0.2930390 0.2930390 0.0000000), wk = 0.0027174 k( 36) = ( 0.3016577 0.3016577 -0.0000000), wk = 0.0027174 k( 37) = ( 0.3102765 0.3102765 -0.0000000), wk = 0.0027174 k( 38) = ( 0.3188953 0.3188953 0.0000000), wk = 0.0027174 k( 39) = ( 0.3275141 0.3275141 -0.0000000), wk = 0.0027174 k( 40) = ( 0.3361329 0.3361329 -0.0000000), wk = 0.0027174 k( 41) = ( 0.3361329 0.3361329 -0.0000000), wk = 0.0027174 k( 42) = ( 0.3193263 0.3443263 -0.0000000), wk = 0.0027174 k( 43) = ( 0.3025196 0.3525196 -0.0000000), wk = 0.0027174 k( 44) = ( 0.2857130 0.3607130 0.0000000), wk = 0.0027174 k( 45) = ( 0.2689063 0.3689063 -0.0000000), wk = 0.0027174 k( 46) = ( 0.2520997 0.3770997 -0.0000000), wk = 0.0027174 k( 47) = ( 0.2352930 0.3852930 -0.0000000), wk = 0.0027174 k( 48) = ( 0.2184864 0.3934864 -0.0000000), wk = 0.0027174 k( 49) = ( 0.2016797 0.4016797 -0.0000000), wk = 0.0027174 k( 50) = ( 0.1848731 0.4098731 0.0000000), wk = 0.0027174 k( 51) = ( 0.1680665 0.4180664 -0.0000000), wk = 0.0027174 k( 52) = ( 0.1512598 0.4262598 0.0000000), wk = 0.0027174 k( 53) = ( 0.1344532 0.4344532 -0.0000000), wk = 0.0027174 k( 54) = ( 0.1176465 0.4426465 -0.0000000), wk = 0.0027174 k( 55) = ( 0.1008399 0.4508399 -0.0000000), wk = 0.0027174 k( 56) = ( 0.0840332 0.4590332 0.0000000), wk = 0.0027174 k( 57) = ( 0.0672266 0.4672266 0.0000000), wk = 0.0027174 k( 58) = ( 0.0504199 0.4754199 -0.0000000), wk = 0.0027174 k( 59) = ( 0.0336133 0.4836133 -0.0000000), wk = 0.0027174 k( 60) = ( 0.0168066 0.4918066 -0.0000000), wk = 0.0027174 k( 61) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027174 k( 62) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027174 k( 63) = ( 0.0000000 0.5000000 0.0151515), wk = 0.0027174 k( 64) = ( 0.0000000 0.5000000 0.0303030), wk = 0.0027174 k( 65) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0027174 k( 66) = ( 0.0000000 0.5000000 0.0606061), wk = 0.0027174 k( 67) = ( 0.0000000 0.5000000 0.0757576), wk = 0.0027174 k( 68) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0027174 k( 69) = ( 0.0000000 0.5000000 0.1060606), wk = 0.0027174 k( 70) = ( 0.0000000 0.5000000 0.1212121), wk = 0.0027174 k( 71) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0027174 k( 72) = ( 0.0000000 0.5000000 0.1515151), wk = 0.0027174 k( 73) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0027174 k( 74) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0027174 k( 75) = ( 0.0000000 0.5000000 0.1969697), wk = 0.0027174 k( 76) = ( 0.0000000 0.5000000 0.2121212), wk = 0.0027174 k( 77) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0027174 k( 78) = ( 0.0000000 0.5000000 0.2424242), wk = 0.0027174 k( 79) = ( 0.0000000 0.5000000 0.2575758), wk = 0.0027174 k( 80) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0027174 k( 81) = ( 0.0000000 0.5000000 0.2878788), wk = 0.0027174 k( 82) = ( 0.0000000 0.5000000 0.3030303), wk = 0.0027174 k( 83) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0027174 k( 84) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0027174 k( 85) = ( 0.0000000 0.5000000 0.3484848), wk = 0.0027174 k( 86) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0027174 k( 87) = ( 0.0000000 0.5000000 0.3787879), wk = 0.0027174 k( 88) = ( 0.0000000 0.5000000 0.3939394), wk = 0.0027174 k( 89) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0027174 k( 90) = ( 0.0000000 0.5000000 0.4242424), wk = 0.0027174 k( 91) = ( 0.0000000 0.5000000 0.4393939), wk = 0.0027174 k( 92) = ( 0.0000000 0.5000000 0.4545454), wk = 0.0027174 k( 93) = ( 0.0000000 0.5000000 0.4696970), wk = 0.0027174 k( 94) = ( 0.0000000 0.5000000 0.4848485), wk = 0.0027174 k( 95) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027174 k( 96) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027174 k( 97) = ( 0.0168066 0.4918066 0.5000000), wk = 0.0027174 k( 98) = ( 0.0336133 0.4836133 0.5000000), wk = 0.0027174 k( 99) = ( 0.0504199 0.4754199 0.5000000), wk = 0.0027174 k( 100) = ( 0.0672266 0.4672266 0.5000000), wk = 0.0027174 k( 101) = ( 0.0840332 0.4590332 0.5000000), wk = 0.0027174 k( 102) = ( 0.1008399 0.4508399 0.5000000), wk = 0.0027174 k( 103) = ( 0.1176465 0.4426465 0.5000000), wk = 0.0027174 k( 104) = ( 0.1344532 0.4344532 0.5000000), wk = 0.0027174 k( 105) = ( 0.1512598 0.4262598 0.5000000), wk = 0.0027174 k( 106) = ( 0.1680665 0.4180664 0.5000000), wk = 0.0027174 k( 107) = ( 0.1848731 0.4098731 0.5000000), wk = 0.0027174 k( 108) = ( 0.2016797 0.4016797 0.5000000), wk = 0.0027174 k( 109) = ( 0.2184864 0.3934864 0.5000000), wk = 0.0027174 k( 110) = ( 0.2352930 0.3852930 0.5000000), wk = 0.0027174 k( 111) = ( 0.2520997 0.3770997 0.5000000), wk = 0.0027174 k( 112) = ( 0.2689063 0.3689063 0.5000000), wk = 0.0027174 k( 113) = ( 0.2857130 0.3607130 0.5000000), wk = 0.0027174 k( 114) = ( 0.3025196 0.3525196 0.5000000), wk = 0.0027174 k( 115) = ( 0.3193263 0.3443263 0.5000000), wk = 0.0027174 k( 116) = ( 0.3361329 0.3361329 0.5000000), wk = 0.0027174 k( 117) = ( 0.3361329 0.3361329 0.5000000), wk = 0.0027174 k( 118) = ( 0.3275141 0.3275141 0.5000000), wk = 0.0027174 k( 119) = ( 0.3188953 0.3188953 0.5000000), wk = 0.0027174 k( 120) = ( 0.3102765 0.3102765 0.5000000), wk = 0.0027174 k( 121) = ( 0.3016577 0.3016577 0.5000000), wk = 0.0027174 k( 122) = ( 0.2930390 0.2930390 0.5000000), wk = 0.0027174 k( 123) = ( 0.2844201 0.2844201 0.5000000), wk = 0.0027174 k( 124) = ( 0.2758014 0.2758014 0.5000000), wk = 0.0027174 k( 125) = ( 0.2671826 0.2671826 0.5000000), wk = 0.0027174 k( 126) = ( 0.2585638 0.2585638 0.5000000), wk = 0.0027174 k( 127) = ( 0.2499450 0.2499450 0.5000000), wk = 0.0027174 k( 128) = ( 0.2413262 0.2413262 0.5000000), wk = 0.0027174 k( 129) = ( 0.2327074 0.2327074 0.5000000), wk = 0.0027174 k( 130) = ( 0.2240886 0.2240886 0.5000000), wk = 0.0027174 k( 131) = ( 0.2154698 0.2154698 0.5000000), wk = 0.0027174 k( 132) = ( 0.2068510 0.2068510 0.5000000), wk = 0.0027174 k( 133) = ( 0.1982322 0.1982322 0.5000000), wk = 0.0027174 k( 134) = ( 0.1896134 0.1896134 0.5000000), wk = 0.0027174 k( 135) = ( 0.1809946 0.1809946 0.5000000), wk = 0.0027174 k( 136) = ( 0.1723758 0.1723758 0.5000000), wk = 0.0027174 k( 137) = ( 0.1637571 0.1637571 0.5000000), wk = 0.0027174 k( 138) = ( 0.1551383 0.1551383 0.5000000), wk = 0.0027174 k( 139) = ( 0.1465195 0.1465195 0.5000000), wk = 0.0027174 k( 140) = ( 0.1379007 0.1379007 0.5000000), wk = 0.0027174 k( 141) = ( 0.1292819 0.1292819 0.5000000), wk = 0.0027174 k( 142) = ( 0.1206631 0.1206631 0.5000000), wk = 0.0027174 k( 143) = ( 0.1120443 0.1120443 0.5000000), wk = 0.0027174 k( 144) = ( 0.1034255 0.1034255 0.5000000), wk = 0.0027174 k( 145) = ( 0.0948067 0.0948067 0.5000000), wk = 0.0027174 k( 146) = ( 0.0861879 0.0861879 0.5000000), wk = 0.0027174 k( 147) = ( 0.0775691 0.0775691 0.5000000), wk = 0.0027174 k( 148) = ( 0.0689503 0.0689503 0.5000000), wk = 0.0027174 k( 149) = ( 0.0603315 0.0603315 0.5000000), wk = 0.0027174 k( 150) = ( 0.0517128 0.0517128 0.5000000), wk = 0.0027174 k( 151) = ( 0.0430940 0.0430940 0.5000000), wk = 0.0027174 k( 152) = ( 0.0344752 0.0344752 0.5000000), wk = 0.0027174 k( 153) = ( 0.0258564 0.0258564 0.5000000), wk = 0.0027174 k( 154) = ( 0.0172376 0.0172376 0.5000000), wk = 0.0027174 k( 155) = ( 0.0086188 0.0086188 0.5000000), wk = 0.0027174 k( 156) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027174 k( 157) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027174 k( 158) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0027174 k( 159) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0027174 k( 160) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0027174 k( 161) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0027174 k( 162) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0027174 k( 163) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0027174 k( 164) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0027174 k( 165) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0027174 k( 166) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0027174 k( 167) = ( 0.0000000 0.0000000 0.3484848), wk = 0.0027174 k( 168) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0027174 k( 169) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0027174 k( 170) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0027174 k( 171) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0027174 k( 172) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0027174 k( 173) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0027174 k( 174) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0027174 k( 175) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0027174 k( 176) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0027174 k( 177) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0027174 k( 178) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0027174 k( 179) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0027174 k( 180) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0027174 k( 181) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0027174 k( 182) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0027174 k( 183) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0027174 k( 184) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0027174 k( 185) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0027174 k( 186) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0027174 k( 187) = ( 0.0000000 0.0000000 0.0454545), wk = 0.0027174 k( 188) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0027174 k( 189) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0027174 k( 190) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 191) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 192) = ( -0.0147059 0.0147059 -0.0000000), wk = 0.0027174 k( 193) = ( -0.0294118 0.0294118 -0.0000000), wk = 0.0027174 k( 194) = ( -0.0441177 0.0441176 -0.0000000), wk = 0.0027174 k( 195) = ( -0.0588235 0.0588235 0.0000000), wk = 0.0027174 k( 196) = ( -0.0735294 0.0735294 -0.0000000), wk = 0.0027174 k( 197) = ( -0.0882353 0.0882353 -0.0000000), wk = 0.0027174 k( 198) = ( -0.1029412 0.1029412 -0.0000000), wk = 0.0027174 k( 199) = ( -0.1176471 0.1176471 0.0000000), wk = 0.0027174 k( 200) = ( -0.1323529 0.1323529 -0.0000000), wk = 0.0027174 k( 201) = ( -0.1470588 0.1470588 -0.0000000), wk = 0.0027174 k( 202) = ( -0.1617647 0.1617647 -0.0000000), wk = 0.0027174 k( 203) = ( -0.1764706 0.1764706 -0.0000000), wk = 0.0027174 k( 204) = ( -0.1911765 0.1911765 -0.0000000), wk = 0.0027174 k( 205) = ( -0.2058823 0.2058823 -0.0000000), wk = 0.0027174 k( 206) = ( -0.2205882 0.2205882 -0.0000000), wk = 0.0027174 k( 207) = ( -0.2352941 0.2352941 0.0000000), wk = 0.0027174 k( 208) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0027174 k( 209) = ( -0.2647059 0.2647059 -0.0000000), wk = 0.0027174 k( 210) = ( -0.2794118 0.2794118 -0.0000000), wk = 0.0027174 k( 211) = ( -0.2941177 0.2941177 -0.0000000), wk = 0.0027174 k( 212) = ( -0.3088235 0.3088235 -0.0000000), wk = 0.0027174 k( 213) = ( -0.3235294 0.3235294 -0.0000000), wk = 0.0027174 k( 214) = ( -0.3382353 0.3382353 -0.0000000), wk = 0.0027174 k( 215) = ( -0.3529412 0.3529412 -0.0000000), wk = 0.0027174 k( 216) = ( -0.3676471 0.3676471 -0.0000000), wk = 0.0027174 k( 217) = ( -0.3823529 0.3823529 -0.0000000), wk = 0.0027174 k( 218) = ( -0.3970588 0.3970588 -0.0000000), wk = 0.0027174 k( 219) = ( -0.4117647 0.4117647 -0.0000000), wk = 0.0027174 k( 220) = ( -0.4264706 0.4264706 -0.0000000), wk = 0.0027174 k( 221) = ( -0.4411765 0.4411765 -0.0000000), wk = 0.0027174 k( 222) = ( -0.4558823 0.4558823 -0.0000000), wk = 0.0027174 k( 223) = ( -0.4705882 0.4705882 0.0000000), wk = 0.0027174 k( 224) = ( -0.4852941 0.4852941 -0.0000000), wk = 0.0027174 k( 225) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027174 k( 226) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027174 k( 227) = ( -0.4913754 0.5086246 -0.0000000), wk = 0.0027174 k( 228) = ( -0.4827508 0.5172492 -0.0000000), wk = 0.0027174 k( 229) = ( -0.4741263 0.5258737 -0.0000000), wk = 0.0027174 k( 230) = ( -0.4655017 0.5344983 -0.0000000), wk = 0.0027174 k( 231) = ( -0.4568771 0.5431229 -0.0000000), wk = 0.0027174 k( 232) = ( -0.4482525 0.5517475 -0.0000000), wk = 0.0027174 k( 233) = ( -0.4396279 0.5603721 -0.0000000), wk = 0.0027174 k( 234) = ( -0.4310033 0.5689967 -0.0000000), wk = 0.0027174 k( 235) = ( -0.4223788 0.5776212 -0.0000000), wk = 0.0027174 k( 236) = ( -0.4137542 0.5862458 -0.0000000), wk = 0.0027174 k( 237) = ( -0.4051296 0.5948704 -0.0000000), wk = 0.0027174 k( 238) = ( -0.3965050 0.6034950 0.0000000), wk = 0.0027174 k( 239) = ( -0.3878804 0.6121196 -0.0000000), wk = 0.0027174 k( 240) = ( -0.3792558 0.6207442 -0.0000000), wk = 0.0027174 k( 241) = ( -0.3706312 0.6293688 -0.0000000), wk = 0.0027174 k( 242) = ( -0.3620067 0.6379933 -0.0000000), wk = 0.0027174 k( 243) = ( -0.3533821 0.6466179 -0.0000000), wk = 0.0027174 k( 244) = ( -0.3447575 0.6552425 -0.0000000), wk = 0.0027174 k( 245) = ( -0.3361329 0.6638671 -0.0000000), wk = 0.0027174 k( 246) = ( -0.3361329 0.6638671 -0.0000000), wk = 0.0027174 k( 247) = ( -0.3361329 0.6638671 0.0151515), wk = 0.0027174 k( 248) = ( -0.3361329 0.6638671 0.0303030), wk = 0.0027174 k( 249) = ( -0.3361329 0.6638671 0.0454545), wk = 0.0027174 k( 250) = ( -0.3361329 0.6638671 0.0606061), wk = 0.0027174 k( 251) = ( -0.3361329 0.6638671 0.0757576), wk = 0.0027174 k( 252) = ( -0.3361329 0.6638671 0.0909091), wk = 0.0027174 k( 253) = ( -0.3361329 0.6638671 0.1060606), wk = 0.0027174 k( 254) = ( -0.3361329 0.6638671 0.1212121), wk = 0.0027174 k( 255) = ( -0.3361329 0.6638671 0.1363636), wk = 0.0027174 k( 256) = ( -0.3361329 0.6638671 0.1515151), wk = 0.0027174 k( 257) = ( -0.3361329 0.6638671 0.1666667), wk = 0.0027174 k( 258) = ( -0.3361329 0.6638671 0.1818182), wk = 0.0027174 k( 259) = ( -0.3361329 0.6638671 0.1969697), wk = 0.0027174 k( 260) = ( -0.3361329 0.6638671 0.2121212), wk = 0.0027174 k( 261) = ( -0.3361329 0.6638671 0.2272727), wk = 0.0027174 k( 262) = ( -0.3361329 0.6638671 0.2424242), wk = 0.0027174 k( 263) = ( -0.3361329 0.6638671 0.2575758), wk = 0.0027174 k( 264) = ( -0.3361329 0.6638671 0.2727273), wk = 0.0027174 k( 265) = ( -0.3361329 0.6638671 0.2878788), wk = 0.0027174 k( 266) = ( -0.3361329 0.6638671 0.3030303), wk = 0.0027174 k( 267) = ( -0.3361329 0.6638671 0.3181818), wk = 0.0027174 k( 268) = ( -0.3361329 0.6638671 0.3333333), wk = 0.0027174 k( 269) = ( -0.3361329 0.6638671 0.3484848), wk = 0.0027174 k( 270) = ( -0.3361329 0.6638671 0.3636364), wk = 0.0027174 k( 271) = ( -0.3361329 0.6638671 0.3787879), wk = 0.0027174 k( 272) = ( -0.3361329 0.6638671 0.3939394), wk = 0.0027174 k( 273) = ( -0.3361329 0.6638671 0.4090909), wk = 0.0027174 k( 274) = ( -0.3361329 0.6638671 0.4242424), wk = 0.0027174 k( 275) = ( -0.3361329 0.6638671 0.4393939), wk = 0.0027174 k( 276) = ( -0.3361329 0.6638671 0.4545454), wk = 0.0027174 k( 277) = ( -0.3361329 0.6638671 0.4696970), wk = 0.0027174 k( 278) = ( -0.3361329 0.6638671 0.4848485), wk = 0.0027174 k( 279) = ( -0.3361329 0.6638671 0.5000000), wk = 0.0027174 k( 280) = ( -0.3361329 0.6638671 0.5000000), wk = 0.0027174 k( 281) = ( -0.3447575 0.6552425 0.5000000), wk = 0.0027174 k( 282) = ( -0.3533821 0.6466179 0.5000000), wk = 0.0027174 k( 283) = ( -0.3620067 0.6379933 0.5000000), wk = 0.0027174 k( 284) = ( -0.3706312 0.6293688 0.5000000), wk = 0.0027174 k( 285) = ( -0.3792558 0.6207442 0.5000000), wk = 0.0027174 k( 286) = ( -0.3878804 0.6121196 0.5000000), wk = 0.0027174 k( 287) = ( -0.3965050 0.6034950 0.5000000), wk = 0.0027174 k( 288) = ( -0.4051296 0.5948704 0.5000000), wk = 0.0027174 k( 289) = ( -0.4137542 0.5862458 0.5000000), wk = 0.0027174 k( 290) = ( -0.4223788 0.5776212 0.5000000), wk = 0.0027174 k( 291) = ( -0.4310033 0.5689967 0.5000000), wk = 0.0027174 k( 292) = ( -0.4396279 0.5603721 0.5000000), wk = 0.0027174 k( 293) = ( -0.4482525 0.5517475 0.5000000), wk = 0.0027174 k( 294) = ( -0.4568771 0.5431229 0.5000000), wk = 0.0027174 k( 295) = ( -0.4655017 0.5344983 0.5000000), wk = 0.0027174 k( 296) = ( -0.4741263 0.5258737 0.5000000), wk = 0.0027174 k( 297) = ( -0.4827508 0.5172492 0.5000000), wk = 0.0027174 k( 298) = ( -0.4913754 0.5086246 0.5000000), wk = 0.0027174 k( 299) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027174 k( 300) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027174 k( 301) = ( -0.5000000 0.5000000 0.4848485), wk = 0.0027174 k( 302) = ( -0.5000000 0.5000000 0.4696970), wk = 0.0027174 k( 303) = ( -0.5000000 0.5000000 0.4545454), wk = 0.0027174 k( 304) = ( -0.5000000 0.5000000 0.4393939), wk = 0.0027174 k( 305) = ( -0.5000000 0.5000000 0.4242424), wk = 0.0027174 k( 306) = ( -0.5000000 0.5000000 0.4090909), wk = 0.0027174 k( 307) = ( -0.5000000 0.5000000 0.3939394), wk = 0.0027174 k( 308) = ( -0.5000000 0.5000000 0.3787879), wk = 0.0027174 k( 309) = ( -0.5000000 0.5000000 0.3636364), wk = 0.0027174 k( 310) = ( -0.5000000 0.5000000 0.3484848), wk = 0.0027174 k( 311) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0027174 k( 312) = ( -0.5000000 0.5000000 0.3181818), wk = 0.0027174 k( 313) = ( -0.5000000 0.5000000 0.3030303), wk = 0.0027174 k( 314) = ( -0.5000000 0.5000000 0.2878788), wk = 0.0027174 k( 315) = ( -0.5000000 0.5000000 0.2727273), wk = 0.0027174 k( 316) = ( -0.5000000 0.5000000 0.2575758), wk = 0.0027174 k( 317) = ( -0.5000000 0.5000000 0.2424242), wk = 0.0027174 k( 318) = ( -0.5000000 0.5000000 0.2272727), wk = 0.0027174 k( 319) = ( -0.5000000 0.5000000 0.2121212), wk = 0.0027174 k( 320) = ( -0.5000000 0.5000000 0.1969697), wk = 0.0027174 k( 321) = ( -0.5000000 0.5000000 0.1818182), wk = 0.0027174 k( 322) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0027174 k( 323) = ( -0.5000000 0.5000000 0.1515151), wk = 0.0027174 k( 324) = ( -0.5000000 0.5000000 0.1363636), wk = 0.0027174 k( 325) = ( -0.5000000 0.5000000 0.1212121), wk = 0.0027174 k( 326) = ( -0.5000000 0.5000000 0.1060606), wk = 0.0027174 k( 327) = ( -0.5000000 0.5000000 0.0909091), wk = 0.0027174 k( 328) = ( -0.5000000 0.5000000 0.0757576), wk = 0.0027174 k( 329) = ( -0.5000000 0.5000000 0.0606061), wk = 0.0027174 k( 330) = ( -0.5000000 0.5000000 0.0454545), wk = 0.0027174 k( 331) = ( -0.5000000 0.5000000 0.0303030), wk = 0.0027174 k( 332) = ( -0.5000000 0.5000000 0.0151515), wk = 0.0027174 k( 333) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027174 k( 334) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027174 k( 335) = ( -0.0147059 0.0147059 0.5000000), wk = 0.0027174 k( 336) = ( -0.0294118 0.0294118 0.5000000), wk = 0.0027174 k( 337) = ( -0.0441177 0.0441176 0.5000000), wk = 0.0027174 k( 338) = ( -0.0588235 0.0588235 0.5000000), wk = 0.0027174 k( 339) = ( -0.0735294 0.0735294 0.5000000), wk = 0.0027174 k( 340) = ( -0.0882353 0.0882353 0.5000000), wk = 0.0027174 k( 341) = ( -0.1029412 0.1029412 0.5000000), wk = 0.0027174 k( 342) = ( -0.1176471 0.1176471 0.5000000), wk = 0.0027174 k( 343) = ( -0.1323529 0.1323529 0.5000000), wk = 0.0027174 k( 344) = ( -0.1470588 0.1470588 0.5000000), wk = 0.0027174 k( 345) = ( -0.1617647 0.1617647 0.5000000), wk = 0.0027174 k( 346) = ( -0.1764706 0.1764706 0.5000000), wk = 0.0027174 k( 347) = ( -0.1911765 0.1911765 0.5000000), wk = 0.0027174 k( 348) = ( -0.2058823 0.2058823 0.5000000), wk = 0.0027174 k( 349) = ( -0.2205882 0.2205882 0.5000000), wk = 0.0027174 k( 350) = ( -0.2352941 0.2352941 0.5000000), wk = 0.0027174 k( 351) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0027174 k( 352) = ( -0.2647059 0.2647059 0.5000000), wk = 0.0027174 k( 353) = ( -0.2794118 0.2794118 0.5000000), wk = 0.0027174 k( 354) = ( -0.2941177 0.2941177 0.5000000), wk = 0.0027174 k( 355) = ( -0.3088235 0.3088235 0.5000000), wk = 0.0027174 k( 356) = ( -0.3235294 0.3235294 0.5000000), wk = 0.0027174 k( 357) = ( -0.3382353 0.3382353 0.5000000), wk = 0.0027174 k( 358) = ( -0.3529412 0.3529412 0.5000000), wk = 0.0027174 k( 359) = ( -0.3676471 0.3676471 0.5000000), wk = 0.0027174 k( 360) = ( -0.3823529 0.3823529 0.5000000), wk = 0.0027174 k( 361) = ( -0.3970588 0.3970588 0.5000000), wk = 0.0027174 k( 362) = ( -0.4117647 0.4117647 0.5000000), wk = 0.0027174 k( 363) = ( -0.4264706 0.4264706 0.5000000), wk = 0.0027174 k( 364) = ( -0.4411765 0.4411765 0.5000000), wk = 0.0027174 k( 365) = ( -0.4558823 0.4558823 0.5000000), wk = 0.0027174 k( 366) = ( -0.4705882 0.4705882 0.5000000), wk = 0.0027174 k( 367) = ( -0.4852941 0.4852941 0.5000000), wk = 0.0027174 k( 368) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027174 Dense grid: 82311 G-vectors FFT dimensions: ( 60, 60, 54) Smooth grid: 36319 G-vectors FFT dimensions: ( 45, 45, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 200, 58) NL pseudopotentials 0.21 Mb ( 100, 140) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1715) G-vector shells 0.01 Mb ( 845) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.71 Mb ( 200, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.25 Mb ( 140, 2, 58) The potential is recalculated from file : ./Ge2N2O.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.8 secs Computing kpt #: 2 total cpu time spent up to now is 45.0 secs Computing kpt #: 3 total cpu time spent up to now is 47.3 secs Computing kpt #: 4 total cpu time spent up to now is 49.6 secs Computing kpt #: 5 total cpu time spent up to now is 52.0 secs Computing kpt #: 6 total cpu time spent up to now is 54.4 secs Computing kpt #: 7 total cpu time spent up to now is 56.6 secs Computing kpt #: 8 total cpu time spent up to now is 58.9 secs Computing kpt #: 9 total cpu time spent up to now is 60.9 secs Computing kpt #: 10 total cpu time spent up to now is 62.9 secs Computing kpt #: 11 total cpu time spent up to now is 65.0 secs Computing kpt #: 12 total cpu time spent up to now is 67.1 secs Computing kpt #: 13 total cpu time spent up to now is 69.2 secs Computing kpt #: 14 total cpu time spent up to now is 71.3 secs Computing kpt #: 15 total cpu time spent up to now is 73.3 secs Computing kpt #: 16 total cpu time spent up to now is 75.5 secs Computing kpt #: 17 total cpu time spent up to now is 77.7 secs Computing kpt #: 18 total cpu time spent up to now is 79.8 secs Computing kpt #: 19 total cpu time spent up to now is 82.0 secs Computing kpt #: 20 total cpu time spent up to now is 84.2 secs Computing kpt #: 21 total cpu time spent up to now is 86.3 secs Computing kpt #: 22 total cpu time spent up to now is 88.7 secs Computing kpt #: 23 total cpu time spent up to now is 91.2 secs Computing kpt #: 24 total cpu time spent up to now is 93.9 secs Computing kpt #: 25 total cpu time spent up to now is 96.4 secs Computing kpt #: 26 total cpu time spent up to now is 99.1 secs Computing kpt #: 27 total cpu time spent up to now is 102.2 secs Computing kpt #: 28 total cpu time spent up to now is 105.4 secs Computing kpt #: 29 total cpu time spent up to now is 107.9 secs Computing kpt #: 30 total cpu time spent up to now is 110.2 secs Computing kpt #: 31 total cpu time spent up to now is 112.3 secs Computing kpt #: 32 total cpu time spent up to now is 114.5 secs Computing kpt #: 33 total cpu time spent up to now is 116.8 secs Computing kpt #: 34 total cpu time spent up to now is 119.0 secs Computing kpt #: 35 total cpu time spent up to now is 121.6 secs Computing kpt #: 36 total cpu time spent up to now is 124.0 secs Computing kpt #: 37 total cpu time spent up to now is 126.4 secs Computing kpt #: 38 total cpu time spent up to now is 128.6 secs Computing kpt #: 39 total cpu time spent up to now is 131.4 secs Computing kpt #: 40 total cpu time spent up to now is 133.7 secs Computing kpt #: 41 total cpu time spent up to now is 136.6 secs Computing kpt #: 42 total cpu time spent up to now is 139.5 secs Computing kpt #: 43 total cpu time spent up to now is 141.9 secs Computing kpt #: 44 total cpu time spent up to now is 144.7 secs Computing kpt #: 45 total cpu time spent up to now is 147.0 secs Computing kpt #: 46 total cpu time spent up to now is 149.4 secs Computing kpt #: 47 total cpu time spent up to now is 151.8 secs Computing kpt #: 48 total cpu time spent up to now is 154.3 secs Computing kpt #: 49 total cpu time spent up to now is 156.8 secs Computing kpt #: 50 total cpu time spent up to now is 159.3 secs Computing kpt #: 51 total cpu time spent up to now is 162.0 secs Computing kpt #: 52 total cpu time spent up to now is 164.5 secs Computing kpt #: 53 total cpu time spent up to now is 167.1 secs Computing kpt #: 54 total cpu time spent up to now is 169.6 secs Computing kpt #: 55 total cpu time spent up to now is 172.3 secs Computing kpt #: 56 total cpu time spent up to now is 174.7 secs Computing kpt #: 57 total cpu time spent up to now is 177.4 secs Computing kpt #: 58 total cpu time spent up to now is 180.2 secs Computing kpt #: 59 total cpu time spent up to now is 182.9 secs Computing kpt #: 60 total cpu time spent up to now is 185.6 secs Computing kpt #: 61 total cpu time spent up to now is 188.2 secs Computing kpt #: 62 total cpu time spent up to now is 190.8 secs Computing kpt #: 63 total cpu time spent up to now is 193.2 secs Computing kpt #: 64 total cpu time spent up to now is 196.0 secs Computing kpt #: 65 total cpu time spent up to now is 198.7 secs Computing kpt #: 66 total cpu time spent up to now is 201.5 secs Computing kpt #: 67 total cpu time spent up to now is 204.3 secs Computing kpt #: 68 total cpu time spent up to now is 207.2 secs Computing kpt #: 69 total cpu time spent up to now is 210.4 secs Computing kpt #: 70 total cpu time spent up to now is 213.7 secs Computing kpt #: 71 total cpu time spent up to now is 217.0 secs Computing kpt #: 72 total cpu time spent up to now is 220.3 secs Computing kpt #: 73 total cpu time spent up to now is 223.7 secs Computing kpt #: 74 total cpu time spent up to now is 227.0 secs Computing kpt #: 75 total cpu time spent up to now is 230.3 secs Computing kpt #: 76 total cpu time spent up to now is 233.6 secs Computing kpt #: 77 total cpu time spent up to now is 236.9 secs Computing kpt #: 78 total cpu time spent up to now is 240.3 secs Computing kpt #: 79 total cpu time spent up to now is 243.7 secs Computing kpt #: 80 total cpu time spent up to now is 247.6 secs Computing kpt #: 81 total cpu time spent up to now is 250.9 secs Computing kpt #: 82 total cpu time spent up to now is 255.7 secs Computing kpt #: 83 total cpu time spent up to now is 259.7 secs Computing kpt #: 84 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 264.7 secs Computing kpt #: 85 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 269.6 secs Computing kpt #: 86 total cpu time spent up to now is 273.6 secs Computing kpt #: 87 total cpu time spent up to now is 276.3 secs Computing kpt #: 88 total cpu time spent up to now is 278.9 secs Computing kpt #: 89 total cpu time spent up to now is 281.4 secs Computing kpt #: 90 total cpu time spent up to now is 283.7 secs Computing kpt #: 91 total cpu time spent up to now is 286.0 secs Computing kpt #: 92 total cpu time spent up to now is 288.3 secs Computing kpt #: 93 total cpu time spent up to now is 290.4 secs Computing kpt #: 94 total cpu time spent up to now is 292.8 secs Computing kpt #: 95 total cpu time spent up to now is 296.5 secs Computing kpt #: 96 total cpu time spent up to now is 300.5 secs Computing kpt #: 97 total cpu time spent up to now is 303.3 secs Computing kpt #: 98 total cpu time spent up to now is 306.1 secs Computing kpt #: 99 total cpu time spent up to now is 308.9 secs Computing kpt #: 100 total cpu time spent up to now is 311.5 secs Computing kpt #: 101 total cpu time spent up to now is 314.2 secs Computing kpt #: 102 total cpu time spent up to now is 316.9 secs Computing kpt #: 103 total cpu time spent up to now is 319.6 secs Computing kpt #: 104 total cpu time spent up to now is 321.8 secs Computing kpt #: 105 total cpu time spent up to now is 324.5 secs Computing kpt #: 106 total cpu time spent up to now is 327.3 secs Computing kpt #: 107 total cpu time spent up to now is 330.0 secs Computing kpt #: 108 total cpu time spent up to now is 332.7 secs Computing kpt #: 109 total cpu time spent up to now is 335.6 secs Computing kpt #: 110 total cpu time spent up to now is 338.3 secs Computing kpt #: 111 total cpu time spent up to now is 341.0 secs Computing kpt #: 112 total cpu time spent up to now is 343.8 secs Computing kpt #: 113 total cpu time spent up to now is 346.6 secs Computing kpt #: 114 total cpu time spent up to now is 349.4 secs Computing kpt #: 115 total cpu time spent up to now is 352.2 secs Computing kpt #: 116 total cpu time spent up to now is 355.0 secs Computing kpt #: 117 total cpu time spent up to now is 357.9 secs Computing kpt #: 118 total cpu time spent up to now is 360.8 secs Computing kpt #: 119 total cpu time spent up to now is 363.5 secs Computing kpt #: 120 total cpu time spent up to now is 365.6 secs Computing kpt #: 121 total cpu time spent up to now is 368.4 secs Computing kpt #: 122 total cpu time spent up to now is 370.7 secs Computing kpt #: 123 total cpu time spent up to now is 373.6 secs Computing kpt #: 124 total cpu time spent up to now is 375.8 secs Computing kpt #: 125 total cpu time spent up to now is 378.1 secs Computing kpt #: 126 total cpu time spent up to now is 380.3 secs Computing kpt #: 127 total cpu time spent up to now is 382.5 secs Computing kpt #: 128 total cpu time spent up to now is 385.0 secs Computing kpt #: 129 total cpu time spent up to now is 387.3 secs Computing kpt #: 130 total cpu time spent up to now is 389.9 secs Computing kpt #: 131 total cpu time spent up to now is 392.4 secs Computing kpt #: 132 total cpu time spent up to now is 395.0 secs Computing kpt #: 133 total cpu time spent up to now is 397.6 secs Computing kpt #: 134 total cpu time spent up to now is 400.8 secs Computing kpt #: 135 total cpu time spent up to now is 404.0 secs Computing kpt #: 136 total cpu time spent up to now is 407.6 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 412.1 secs Computing kpt #: 138 total cpu time spent up to now is 415.7 secs Computing kpt #: 139 total cpu time spent up to now is 419.2 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 423.6 secs Computing kpt #: 141 total cpu time spent up to now is 426.9 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 431.5 secs Computing kpt #: 143 total cpu time spent up to now is 434.7 secs Computing kpt #: 144 total cpu time spent up to now is 439.3 secs Computing kpt #: 145 total cpu time spent up to now is 443.1 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 447.8 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 452.3 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 456.8 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 461.5 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 466.3 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 471.0 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 475.6 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 480.5 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 485.1 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 489.8 secs Computing kpt #: 156 total cpu time spent up to now is 491.9 secs Computing kpt #: 157 total cpu time spent up to now is 493.9 secs Computing kpt #: 158 total cpu time spent up to now is 497.1 secs Computing kpt #: 159 total cpu time spent up to now is 500.5 secs Computing kpt #: 160 total cpu time spent up to now is 503.0 secs Computing kpt #: 161 total cpu time spent up to now is 505.4 secs Computing kpt #: 162 total cpu time spent up to now is 507.7 secs Computing kpt #: 163 total cpu time spent up to now is 510.2 secs Computing kpt #: 164 total cpu time spent up to now is 512.7 secs Computing kpt #: 165 total cpu time spent up to now is 515.1 secs Computing kpt #: 166 total cpu time spent up to now is 517.6 secs Computing kpt #: 167 total cpu time spent up to now is 519.9 secs Computing kpt #: 168 total cpu time spent up to now is 522.0 secs Computing kpt #: 169 total cpu time spent up to now is 524.1 secs Computing kpt #: 170 total cpu time spent up to now is 526.2 secs Computing kpt #: 171 total cpu time spent up to now is 528.3 secs Computing kpt #: 172 total cpu time spent up to now is 530.3 secs Computing kpt #: 173 total cpu time spent up to now is 532.3 secs Computing kpt #: 174 total cpu time spent up to now is 534.5 secs Computing kpt #: 175 total cpu time spent up to now is 536.7 secs Computing kpt #: 176 total cpu time spent up to now is 538.7 secs Computing kpt #: 177 total cpu time spent up to now is 540.8 secs Computing kpt #: 178 total cpu time spent up to now is 542.9 secs Computing kpt #: 179 total cpu time spent up to now is 545.3 secs Computing kpt #: 180 total cpu time spent up to now is 547.8 secs Computing kpt #: 181 total cpu time spent up to now is 550.6 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 555.5 secs Computing kpt #: 183 total cpu time spent up to now is 558.8 secs Computing kpt #: 184 total cpu time spent up to now is 562.0 secs Computing kpt #: 185 total cpu time spent up to now is 565.1 secs Computing kpt #: 186 total cpu time spent up to now is 568.0 secs Computing kpt #: 187 total cpu time spent up to now is 570.6 secs Computing kpt #: 188 total cpu time spent up to now is 572.9 secs Computing kpt #: 189 total cpu time spent up to now is 575.3 secs Computing kpt #: 190 total cpu time spent up to now is 577.6 secs Computing kpt #: 191 total cpu time spent up to now is 579.9 secs Computing kpt #: 192 total cpu time spent up to now is 582.2 secs Computing kpt #: 193 total cpu time spent up to now is 584.6 secs Computing kpt #: 194 total cpu time spent up to now is 587.3 secs Computing kpt #: 195 total cpu time spent up to now is 589.9 secs Computing kpt #: 196 total cpu time spent up to now is 592.5 secs Computing kpt #: 197 total cpu time spent up to now is 595.6 secs Computing kpt #: 198 total cpu time spent up to now is 599.3 secs Computing kpt #: 199 total cpu time spent up to now is 602.4 secs Computing kpt #: 200 total cpu time spent up to now is 605.0 secs Computing kpt #: 201 total cpu time spent up to now is 607.6 secs Computing kpt #: 202 total cpu time spent up to now is 610.2 secs Computing kpt #: 203 total cpu time spent up to now is 612.8 secs Computing kpt #: 204 total cpu time spent up to now is 615.4 secs Computing kpt #: 205 total cpu time spent up to now is 618.2 secs Computing kpt #: 206 total cpu time spent up to now is 620.7 secs Computing kpt #: 207 total cpu time spent up to now is 623.2 secs Computing kpt #: 208 total cpu time spent up to now is 626.0 secs Computing kpt #: 209 total cpu time spent up to now is 628.4 secs Computing kpt #: 210 total cpu time spent up to now is 630.8 secs Computing kpt #: 211 total cpu time spent up to now is 633.1 secs Computing kpt #: 212 total cpu time spent up to now is 635.4 secs Computing kpt #: 213 total cpu time spent up to now is 637.7 secs Computing kpt #: 214 total cpu time spent up to now is 640.2 secs Computing kpt #: 215 total cpu time spent up to now is 642.7 secs Computing kpt #: 216 total cpu time spent up to now is 645.1 secs Computing kpt #: 217 total cpu time spent up to now is 647.8 secs Computing kpt #: 218 total cpu time spent up to now is 650.4 secs Computing kpt #: 219 total cpu time spent up to now is 652.8 secs Computing kpt #: 220 total cpu time spent up to now is 655.5 secs Computing kpt #: 221 total cpu time spent up to now is 658.3 secs Computing kpt #: 222 total cpu time spent up to now is 661.2 secs Computing kpt #: 223 total cpu time spent up to now is 663.6 secs Computing kpt #: 224 total cpu time spent up to now is 666.0 secs Computing kpt #: 225 total cpu time spent up to now is 668.3 secs Computing kpt #: 226 total cpu time spent up to now is 670.7 secs Computing kpt #: 227 total cpu time spent up to now is 673.1 secs Computing kpt #: 228 total cpu time spent up to now is 675.5 secs Computing kpt #: 229 total cpu time spent up to now is 677.8 secs Computing kpt #: 230 total cpu time spent up to now is 680.1 secs Computing kpt #: 231 total cpu time spent up to now is 682.5 secs Computing kpt #: 232 total cpu time spent up to now is 685.3 secs Computing kpt #: 233 total cpu time spent up to now is 687.8 secs Computing kpt #: 234 total cpu time spent up to now is 690.6 secs Computing kpt #: 235 total cpu time spent up to now is 693.3 secs Computing kpt #: 236 total cpu time spent up to now is 695.6 secs Computing kpt #: 237 total cpu time spent up to now is 698.0 secs Computing kpt #: 238 total cpu time spent up to now is 700.8 secs Computing kpt #: 239 total cpu time spent up to now is 703.6 secs Computing kpt #: 240 total cpu time spent up to now is 705.9 secs Computing kpt #: 241 total cpu time spent up to now is 708.8 secs Computing kpt #: 242 total cpu time spent up to now is 711.6 secs Computing kpt #: 243 total cpu time spent up to now is 714.2 secs Computing kpt #: 244 total cpu time spent up to now is 717.6 secs Computing kpt #: 245 total cpu time spent up to now is 720.4 secs Computing kpt #: 246 total cpu time spent up to now is 722.8 secs Computing kpt #: 247 total cpu time spent up to now is 725.1 secs Computing kpt #: 248 total cpu time spent up to now is 727.9 secs Computing kpt #: 249 total cpu time spent up to now is 730.8 secs Computing kpt #: 250 total cpu time spent up to now is 733.5 secs Computing kpt #: 251 total cpu time spent up to now is 735.8 secs Computing kpt #: 252 total cpu time spent up to now is 738.2 secs Computing kpt #: 253 total cpu time spent up to now is 740.3 secs Computing kpt #: 254 total cpu time spent up to now is 742.4 secs Computing kpt #: 255 total cpu time spent up to now is 744.5 secs Computing kpt #: 256 total cpu time spent up to now is 746.6 secs Computing kpt #: 257 total cpu time spent up to now is 748.7 secs Computing kpt #: 258 total cpu time spent up to now is 750.9 secs Computing kpt #: 259 total cpu time spent up to now is 753.0 secs Computing kpt #: 260 total cpu time spent up to now is 755.1 secs Computing kpt #: 261 total cpu time spent up to now is 757.2 secs Computing kpt #: 262 total cpu time spent up to now is 759.3 secs Computing kpt #: 263 total cpu time spent up to now is 761.4 secs Computing kpt #: 264 total cpu time spent up to now is 763.8 secs Computing kpt #: 265 total cpu time spent up to now is 766.1 secs Computing kpt #: 266 total cpu time spent up to now is 768.3 secs Computing kpt #: 267 total cpu time spent up to now is 770.5 secs Computing kpt #: 268 total cpu time spent up to now is 772.6 secs Computing kpt #: 269 total cpu time spent up to now is 774.8 secs Computing kpt #: 270 total cpu time spent up to now is 776.9 secs Computing kpt #: 271 total cpu time spent up to now is 779.1 secs Computing kpt #: 272 total cpu time spent up to now is 781.3 secs Computing kpt #: 273 total cpu time spent up to now is 783.4 secs Computing kpt #: 274 total cpu time spent up to now is 785.6 secs Computing kpt #: 275 total cpu time spent up to now is 787.8 secs Computing kpt #: 276 total cpu time spent up to now is 789.9 secs Computing kpt #: 277 total cpu time spent up to now is 792.2 secs Computing kpt #: 278 total cpu time spent up to now is 794.3 secs Computing kpt #: 279 total cpu time spent up to now is 797.1 secs Computing kpt #: 280 total cpu time spent up to now is 799.9 secs Computing kpt #: 281 total cpu time spent up to now is 802.9 secs Computing kpt #: 282 total cpu time spent up to now is 806.3 secs Computing kpt #: 283 total cpu time spent up to now is 809.6 secs Computing kpt #: 284 total cpu time spent up to now is 812.6 secs Computing kpt #: 285 total cpu time spent up to now is 815.6 secs Computing kpt #: 286 total cpu time spent up to now is 818.4 secs Computing kpt #: 287 total cpu time spent up to now is 821.3 secs Computing kpt #: 288 total cpu time spent up to now is 824.3 secs Computing kpt #: 289 total cpu time spent up to now is 826.6 secs Computing kpt #: 290 total cpu time spent up to now is 829.4 secs Computing kpt #: 291 total cpu time spent up to now is 833.5 secs Computing kpt #: 292 total cpu time spent up to now is 835.6 secs Computing kpt #: 293 total cpu time spent up to now is 838.6 secs Computing kpt #: 294 total cpu time spent up to now is 841.2 secs Computing kpt #: 295 total cpu time spent up to now is 844.6 secs Computing kpt #: 296 total cpu time spent up to now is 847.5 secs Computing kpt #: 297 total cpu time spent up to now is 850.4 secs Computing kpt #: 298 total cpu time spent up to now is 853.7 secs Computing kpt #: 299 total cpu time spent up to now is 856.3 secs Computing kpt #: 300 total cpu time spent up to now is 858.4 secs Computing kpt #: 301 total cpu time spent up to now is 861.2 secs Computing kpt #: 302 total cpu time spent up to now is 864.0 secs Computing kpt #: 303 total cpu time spent up to now is 866.3 secs Computing kpt #: 304 total cpu time spent up to now is 868.9 secs Computing kpt #: 305 total cpu time spent up to now is 871.3 secs Computing kpt #: 306 total cpu time spent up to now is 873.6 secs Computing kpt #: 307 total cpu time spent up to now is 876.2 secs Computing kpt #: 308 total cpu time spent up to now is 878.7 secs Computing kpt #: 309 total cpu time spent up to now is 881.1 secs Computing kpt #: 310 total cpu time spent up to now is 883.5 secs Computing kpt #: 311 total cpu time spent up to now is 885.7 secs Computing kpt #: 312 total cpu time spent up to now is 888.1 secs Computing kpt #: 313 total cpu time spent up to now is 890.5 secs Computing kpt #: 314 total cpu time spent up to now is 892.9 secs Computing kpt #: 315 total cpu time spent up to now is 895.8 secs Computing kpt #: 316 total cpu time spent up to now is 899.5 secs Computing kpt #: 317 total cpu time spent up to now is 902.4 secs Computing kpt #: 318 total cpu time spent up to now is 904.9 secs Computing kpt #: 319 total cpu time spent up to now is 908.6 secs Computing kpt #: 320 total cpu time spent up to now is 911.2 secs Computing kpt #: 321 total cpu time spent up to now is 913.6 secs Computing kpt #: 322 total cpu time spent up to now is 915.9 secs Computing kpt #: 323 total cpu time spent up to now is 918.3 secs Computing kpt #: 324 total cpu time spent up to now is 920.6 secs Computing kpt #: 325 total cpu time spent up to now is 923.0 secs Computing kpt #: 326 total cpu time spent up to now is 925.5 secs Computing kpt #: 327 total cpu time spent up to now is 927.8 secs Computing kpt #: 328 total cpu time spent up to now is 930.2 secs Computing kpt #: 329 total cpu time spent up to now is 932.7 secs Computing kpt #: 330 total cpu time spent up to now is 935.0 secs Computing kpt #: 331 total cpu time spent up to now is 937.4 secs Computing kpt #: 332 total cpu time spent up to now is 939.8 secs Computing kpt #: 333 total cpu time spent up to now is 942.1 secs Computing kpt #: 334 total cpu time spent up to now is 944.2 secs Computing kpt #: 335 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 948.9 secs Computing kpt #: 336 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 953.5 secs Computing kpt #: 337 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 958.1 secs Computing kpt #: 338 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 962.8 secs Computing kpt #: 339 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 967.5 secs Computing kpt #: 340 total cpu time spent up to now is 971.3 secs Computing kpt #: 341 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 976.0 secs Computing kpt #: 342 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 980.6 secs Computing kpt #: 343 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 985.3 secs Computing kpt #: 344 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 990.0 secs Computing kpt #: 345 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 994.8 secs Computing kpt #: 346 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 999.5 secs Computing kpt #: 347 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1004.1 secs Computing kpt #: 348 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1008.6 secs Computing kpt #: 349 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1013.2 secs Computing kpt #: 350 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1017.9 secs Computing kpt #: 351 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1022.6 secs Computing kpt #: 352 total cpu time spent up to now is 1027.0 secs Computing kpt #: 353 total cpu time spent up to now is 1030.9 secs Computing kpt #: 354 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1035.5 secs Computing kpt #: 355 total cpu time spent up to now is 1038.8 secs Computing kpt #: 356 total cpu time spent up to now is 1042.5 secs Computing kpt #: 357 total cpu time spent up to now is 1045.7 secs Computing kpt #: 358 total cpu time spent up to now is 1048.8 secs Computing kpt #: 359 total cpu time spent up to now is 1051.5 secs Computing kpt #: 360 total cpu time spent up to now is 1054.2 secs Computing kpt #: 361 total cpu time spent up to now is 1057.0 secs Computing kpt #: 362 total cpu time spent up to now is 1059.7 secs Computing kpt #: 363 total cpu time spent up to now is 1062.5 secs Computing kpt #: 364 total cpu time spent up to now is 1065.2 secs Computing kpt #: 365 total cpu time spent up to now is 1068.0 secs Computing kpt #: 366 total cpu time spent up to now is 1071.0 secs Computing kpt #: 367 total cpu time spent up to now is 1073.9 secs Computing kpt #: 368 total cpu time spent up to now is 1076.4 secs ethr = 2.08E-11, avg # of iterations = 49.4 total cpu time spent up to now is 1076.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4499 PWs) bands (ev): -13.4348 -13.4348 -12.5158 -12.5158 -10.9948 -10.9948 -9.4949 -9.4949 -9.1624 -9.1624 -8.9444 -8.9444 -3.7343 -3.7343 -3.6370 -3.6370 -3.5964 -3.5964 -0.7475 -0.7475 -0.3326 -0.3326 -0.1203 -0.1203 0.9393 0.9393 0.9523 0.9523 2.0320 2.0320 2.3679 2.3679 3.2577 3.2577 3.8243 3.8243 3.8694 3.8694 4.2490 4.2490 4.2681 4.2681 4.6000 4.6000 4.6087 4.6087 5.1428 5.1428 9.2854 9.2854 10.9992 10.9992 11.8941 11.8941 12.1895 12.1895 13.6690 13.6690 k = 0.0086 0.0147-0.0000 ( 4505 PWs) bands (ev): -13.4342 -13.4342 -12.5159 -12.5159 -10.9944 -10.9943 -9.5119 -9.5049 -9.1553 -9.1461 -8.9445 -8.9433 -3.7336 -3.7333 -3.6875 -3.6760 -3.5560 -3.5419 -0.7519 -0.7435 -0.3353 -0.3327 -0.1244 -0.1227 0.9384 0.9427 0.9567 0.9586 2.0280 2.0318 2.3643 2.3676 3.2579 3.2579 3.8097 3.8101 3.8841 3.8844 4.2471 4.2487 4.2672 4.2674 4.5998 4.6000 4.6038 4.6067 5.1423 5.1434 9.2889 9.2891 11.0003 11.0014 11.8951 11.8953 12.1905 12.1905 13.6389 13.6521 k = 0.0172 0.0294-0.0000 ( 4509 PWs) bands (ev): -13.4325 -13.4324 -12.5160 -12.5160 -10.9932 -10.9929 -9.5501 -9.5387 -9.1279 -9.1120 -8.9438 -8.9414 -3.7468 -3.7345 -3.7311 -3.7287 -3.4907 -3.4751 -0.7568 -0.7398 -0.3406 -0.3355 -0.1346 -0.1308 0.9415 0.9455 0.9702 0.9784 2.0200 2.0276 2.3568 2.3634 3.2585 3.2585 3.7843 3.7851 3.9105 3.9111 4.2426 4.2461 4.2650 4.2657 4.5918 4.5980 4.5995 4.6000 5.1419 5.1442 9.2998 9.3002 11.0046 11.0069 11.8984 11.8990 12.1934 12.1935 13.5776 13.5977 k = 0.0259 0.0441-0.0000 ( 4505 PWs) bands (ev): -13.4296 -13.4295 -12.5162 -12.5162 -10.9911 -10.9906 -9.6014 -9.5879 -9.0886 -9.0684 -8.9421 -8.9386 -3.8011 -3.7907 -3.7271 -3.7250 -3.4221 -3.4052 -0.7626 -0.7368 -0.3486 -0.3411 -0.1500 -0.1433 0.9467 0.9492 0.9939 1.0089 2.0081 2.0193 2.3455 2.3553 3.2594 3.2595 3.7578 3.7590 3.9388 3.9398 4.2346 4.2403 4.2624 4.2636 4.5739 4.5831 4.5990 4.5997 5.1415 5.1447 9.3178 9.3183 11.0121 11.0155 11.9040 11.9049 12.1983 12.1984 13.5024 13.5254 k = 0.0345 0.0587-0.0000 ( 4503 PWs) bands (ev): -13.4255 -13.4254 -12.5166 -12.5165 -10.9881 -10.9875 -9.6604 -9.6462 -9.0438 -9.0205 -8.9394 -8.9350 -3.8534 -3.8442 -3.7212 -3.7186 -3.3510 -3.3331 -0.7700 -0.7350 -0.3593 -0.3494 -0.1688 -0.1583 0.9533 0.9543 1.0273 1.0484 1.9922 2.0069 2.3303 2.3432 3.2608 3.2608 3.7317 3.7334 3.9673 3.9686 4.2226 4.2305 4.2600 4.2616 4.5507 4.5628 4.5984 4.5993 5.1409 5.1450 9.3427 9.3434 11.0227 11.0271 11.9119 11.9130 12.2052 12.2053 13.4227 13.4466 k = 0.0431 0.0734-0.0000 ( 4505 PWs) bands (ev): -13.4204 -13.4202 -12.5170 -12.5169 -10.9842 -10.9834 -9.7241 -9.7099 -8.9976 -8.9717 -8.9355 -8.9304 -3.9024 -3.8944 -3.7136 -3.7105 -3.2778 -3.2589 -0.7796 -0.7352 -0.3726 -0.3603 -0.1888 -0.1736 0.9611 0.9613 1.0690 1.0953 1.9725 1.9904 2.3114 2.3271 3.2624 3.2624 3.7067 3.7088 3.9951 3.9968 4.2062 4.2162 4.2579 4.2597 4.5233 4.5383 4.5978 4.5988 5.1400 5.1448 9.3742 9.3750 11.0361 11.0416 11.9219 11.9234 12.2139 12.2141 13.3424 13.3665 k = 0.0517 0.0881-0.0000 ( 4507 PWs) bands (ev): -13.4141 -13.4139 -12.5175 -12.5174 -10.9794 -10.9785 -9.7909 -9.7769 -8.9538 -8.9285 -8.9273 -8.9210 -3.9480 -3.9412 -3.7042 -3.7005 -3.2028 -3.1830 -0.7924 -0.7385 -0.3885 -0.3738 -0.2075 -0.1870 0.9695 0.9707 1.1175 1.1482 1.9490 1.9700 2.2888 2.3070 3.2641 3.2643 3.6829 3.6855 4.0214 4.0237 4.1851 4.1976 4.2560 4.2579 4.4932 4.5110 4.5970 4.5983 5.1386 5.1439 9.4120 9.4129 11.0522 11.0588 11.9339 11.9358 12.2244 12.2248 13.2640 13.2878 k = 0.0603 0.1028-0.0000 ( 4507 PWs) bands (ev): -13.4067 -13.4064 -12.5180 -12.5179 -10.9738 -10.9727 -9.8597 -9.8462 -8.9315 -8.9194 -8.9005 -8.8759 -3.9900 -3.9843 -3.6931 -3.6889 -3.1263 -3.1055 -0.8089 -0.7461 -0.4069 -0.3899 -0.2226 -0.1968 0.9794 0.9816 1.1715 1.2059 1.9218 1.9456 2.2625 2.2831 3.2659 3.2662 3.6605 3.6636 4.0450 4.0484 4.1597 4.1748 4.2542 4.2561 4.4618 4.4822 4.5962 4.5977 5.1366 5.1422 9.4556 9.4566 11.0707 11.0783 11.9479 11.9502 12.2367 12.2374 13.1887 13.2120 k = 0.0690 0.1175-0.0000 ( 4515 PWs) bands (ev): -13.3982 -13.3979 -12.5187 -12.5186 -10.9672 -10.9659 -9.9299 -9.9169 -8.9239 -8.9124 -8.8590 -8.8313 -4.0283 -4.0237 -3.6804 -3.6756 -3.0483 -3.0267 -0.8297 -0.7590 -0.4279 -0.4086 -0.2320 -0.2013 0.9909 0.9939 1.2299 1.2674 1.8910 1.9173 2.2326 2.2553 3.2676 3.2681 3.6396 3.6430 4.0630 4.0679 4.1320 4.1499 4.2524 4.2544 4.4309 4.4534 4.5955 4.5971 5.1340 5.1399 9.5046 9.5055 11.0914 11.1000 11.9638 11.9664 12.2508 12.2518 13.1174 13.1403 k = 0.0776 0.1322-0.0000 ( 4521 PWs) bands (ev): -13.3886 -13.3883 -12.5195 -12.5193 -10.9597 -10.9583 -10.0011 -9.9887 -8.9169 -8.9046 -8.8187 -8.7892 -4.0629 -4.0593 -3.6659 -3.6606 -2.9692 -2.9468 -0.8549 -0.7779 -0.4513 -0.4296 -0.2340 -0.1996 1.0038 1.0078 1.2915 1.3317 1.8566 1.8851 2.1992 2.2238 3.2690 3.2698 3.6202 3.6239 4.0658 4.0674 4.1164 4.1317 4.2507 4.2526 4.4017 4.4256 4.5948 4.5965 5.1308 5.1368 9.5584 9.5593 11.1140 11.1235 11.9813 11.9844 12.2663 12.2678 13.0510 13.0734 k = 0.0862 0.1468-0.0000 ( 4513 PWs) bands (ev): -13.3780 -13.3777 -12.5203 -12.5202 -10.9512 -10.9497 -10.0729 -10.0611 -8.9094 -8.8961 -8.7810 -8.7502 -4.0936 -4.0910 -3.6498 -3.6440 -2.8890 -2.8658 -0.8842 -0.8026 -0.4771 -0.4531 -0.2281 -0.1913 1.0183 1.0232 1.3557 1.3980 1.8188 1.8491 2.1624 2.1889 3.2699 3.2711 3.6023 3.6063 4.0341 4.0408 4.1253 4.1324 4.2490 4.2510 4.3755 4.4000 4.5942 4.5961 5.1272 5.1331 9.6165 9.6173 11.1384 11.1487 12.0003 12.0039 12.2833 12.2855 12.9900 13.0120 k = 0.0948 0.1615-0.0000 ( 4525 PWs) bands (ev): -13.3665 -13.3661 -12.5212 -12.5211 -10.9418 -10.9401 -10.1450 -10.1339 -8.9013 -8.8870 -8.7463 -8.7144 -4.1206 -4.1189 -3.6321 -3.6258 -2.8080 -2.7841 -0.9171 -0.8325 -0.5054 -0.4789 -0.2142 -0.1763 1.0342 1.0400 1.4217 1.4657 1.7776 1.8095 2.1225 2.1505 3.2701 3.2717 3.5860 3.5900 3.9883 3.9985 4.1385 4.1411 4.2474 4.2494 4.3531 4.3772 4.5939 4.5958 5.1231 5.1290 9.6784 9.6790 11.1641 11.1753 12.0205 12.0247 12.3015 12.3046 12.9351 12.9567 k = 0.1034 0.1762-0.0000 ( 4521 PWs) bands (ev): -13.3539 -13.3536 -12.5222 -12.5221 -10.9315 -10.9295 -10.2173 -10.2068 -8.8926 -8.8771 -8.7149 -8.6819 -4.1437 -4.1428 -3.6128 -3.6060 -2.7263 -2.7018 -0.9528 -0.8667 -0.5359 -0.5069 -0.1929 -0.1550 1.0516 1.0583 1.4889 1.5338 1.7336 1.7661 2.0797 2.1091 3.2691 3.2714 3.5713 3.5752 3.9370 3.9484 4.1486 4.1492 4.2462 4.2479 4.3350 4.3577 4.5937 4.5957 5.1187 5.1245 9.7436 9.7439 11.1912 11.2030 12.0419 12.0467 12.3207 12.3250 12.8867 12.9082 k = 0.1120 0.1909-0.0000 ( 4519 PWs) bands (ev): -13.3405 -13.3401 -12.5233 -12.5232 -10.9201 -10.9180 -10.2895 -10.2796 -8.8832 -8.8665 -8.6869 -8.6531 -4.1631 -4.1630 -3.5919 -3.5847 -2.6441 -2.6191 -0.9905 -0.9038 -0.5685 -0.5371 -0.1650 -0.1279 1.0703 1.0781 1.5567 1.5993 1.6893 1.7191 2.0343 2.0649 3.2667 3.2698 3.5582 3.5617 3.8820 3.8938 4.1521 4.1560 4.2453 4.2467 4.3213 4.3418 4.5939 4.5960 5.1141 5.1197 9.8113 9.8113 11.2193 11.2317 12.0640 12.0695 12.3405 12.3463 12.8454 12.8671 k = 0.1207 0.2056-0.0000 ( 4523 PWs) bands (ev): -13.3262 -13.3257 -12.5245 -12.5243 -10.9077 -10.9054 -10.3616 -10.3522 -8.8732 -8.8554 -8.6624 -8.6278 -4.1794 -4.1789 -3.5696 -3.5620 -2.5616 -2.5361 -1.0294 -0.9427 -0.6032 -0.5693 -0.1313 -0.0955 1.0904 1.0991 1.6189 1.6239 1.6690 1.6874 1.9867 2.0181 3.2625 3.2665 3.5466 3.5496 3.8247 3.8365 4.1508 4.1583 4.2449 4.2457 4.3118 4.3295 4.5945 4.5966 5.1093 5.1148 9.8808 9.8812 11.2485 11.2614 12.0867 12.0931 12.3604 12.3683 12.8119 12.8339 k = 0.1293 0.2203-0.0000 ( 4537 PWs) bands (ev): -13.3110 -13.3106 -12.5258 -12.5256 -10.8943 -10.8918 -10.4332 -10.4245 -8.8627 -8.8437 -8.6414 -8.6062 -4.1923 -4.1912 -3.5458 -3.5378 -2.4790 -2.4530 -1.0686 -0.9826 -0.6398 -0.6034 -0.0926 -0.0583 1.1118 1.1216 1.5704 1.6130 1.6927 1.7501 1.9375 1.9690 3.2562 3.2612 3.5362 3.5387 3.7663 3.7779 4.1450 4.1561 4.2449 4.2450 4.3057 4.3205 4.5956 4.5976 5.1044 5.1097 9.9517 9.9526 11.2786 11.2920 12.1098 12.1170 12.3801 12.3903 12.7866 12.8094 k = 0.1379 0.2349-0.0000 ( 4539 PWs) bands (ev): -13.2950 -13.2946 -12.5271 -12.5269 -10.8798 -10.8771 -10.5044 -10.4962 -8.8516 -8.8315 -8.6240 -8.5883 -4.2017 -4.2002 -3.5207 -3.5123 -2.3964 -2.3700 -1.1076 -1.0224 -0.6781 -0.6393 -0.0495 -0.0169 1.1345 1.1453 1.5127 1.5552 1.7569 1.8181 1.8888 1.9180 3.2475 3.2535 3.5267 3.5283 3.7083 3.7196 4.1359 4.1501 4.2450 4.2454 4.3017 4.3137 4.5972 4.5992 5.0994 5.1045 10.0235 10.0250 11.3098 11.3235 12.1329 12.1411 12.3989 12.4120 12.7704 12.7942 k = 0.1465 0.2496-0.0000 ( 4535 PWs) bands (ev): -13.2784 -13.2779 -12.5285 -12.5283 -10.8643 -10.8614 -10.5750 -10.5673 -8.8400 -8.8188 -8.6100 -8.5739 -4.2080 -4.2061 -3.4942 -3.4855 -2.3140 -2.2873 -1.1457 -1.0616 -0.7181 -0.6769 -0.0025 0.0283 1.1584 1.1704 1.4506 1.4935 1.7983 1.8609 1.8652 1.8863 3.2362 3.2433 3.5166 3.5173 3.6527 3.6637 4.1245 4.1413 4.2456 4.2465 4.2985 4.3084 4.5995 4.6015 5.0941 5.0991 10.0956 10.0978 11.3422 11.3561 12.1557 12.1650 12.4166 12.4326 12.7637 12.7885 k = 0.1551 0.2643-0.0000 ( 4543 PWs) bands (ev): -13.2610 -13.2605 -12.5299 -12.5297 -10.8477 -10.8445 -10.6448 -10.6376 -8.8280 -8.8057 -8.5995 -8.5631 -4.2113 -4.2091 -3.4665 -3.4576 -2.2319 -2.2049 -1.1824 -1.0994 -0.7596 -0.7160 0.0477 0.0767 1.1835 1.1966 1.3848 1.4280 1.7643 1.8112 1.9064 1.9537 3.2222 3.2302 3.5017 3.5024 3.6041 3.6142 4.1118 4.1305 4.2469 4.2482 4.2951 4.3033 4.6026 4.6044 5.0885 5.0934 10.1675 10.1705 11.3758 11.3900 12.1779 12.1885 12.4328 12.4517 12.7669 12.7927 k = 0.1638 0.2790-0.0000 ( 4531 PWs) bands (ev): -13.2430 -13.2425 -12.5314 -12.5312 -10.8299 -10.8265 -10.7137 -10.7071 -8.8157 -8.7923 -8.5923 -8.5557 -4.2119 -4.2096 -3.4377 -3.4285 -2.1503 -2.1231 -1.2172 -1.1355 -0.8022 -0.7564 0.1008 0.1281 1.2098 1.2241 1.3155 1.3590 1.7112 1.7561 1.9687 2.0201 3.2054 3.2143 3.4742 3.4773 3.5701 3.5785 4.0984 4.1185 4.2490 4.2507 4.2910 4.2980 4.6065 4.6082 5.0824 5.0873 10.2388 10.2426 11.4111 11.4254 12.1994 12.2113 12.4477 12.4692 12.7801 12.8063 k = 0.1724 0.2937-0.0000 ( 4535 PWs) bands (ev): -13.2245 -13.2240 -12.5330 -12.5328 -10.8115 -10.8074 -10.7813 -10.7755 -8.8031 -8.7786 -8.5882 -8.5515 -4.2102 -4.2078 -3.4078 -3.3984 -2.0694 -2.0420 -1.2498 -1.1694 -0.8460 -0.7978 0.1563 0.1819 1.2361 1.2437 1.2524 1.2867 1.6553 1.7001 2.0319 2.0852 3.1859 3.1955 3.4327 3.4381 3.5534 3.5600 4.0849 4.1059 4.2520 4.2541 4.2856 4.2920 4.6113 4.6129 5.0757 5.0805 10.3089 10.3136 11.4482 11.4626 12.2197 12.2330 12.4619 12.4853 12.8025 12.8288 k = 0.1810 0.3084-0.0000 ( 4535 PWs) bands (ev): -13.2055 -13.2049 -12.5346 -12.5344 -10.8495 -10.8433 -10.7903 -10.7868 -8.7903 -8.7648 -8.5870 -8.5504 -4.2065 -4.2041 -3.3769 -3.3674 -1.9892 -1.9617 -1.2798 -1.2007 -0.8905 -0.8401 0.2137 0.2377 1.1662 1.2096 1.2659 1.2831 1.5983 1.6437 2.0941 2.1487 3.1636 3.1738 3.3845 3.3911 3.5468 3.5526 4.0714 4.0931 4.2556 4.2584 4.2791 4.2853 4.6172 4.6187 5.0681 5.0729 10.3774 10.3831 11.4875 11.5020 12.2387 12.2535 12.4758 12.5007 12.8335 12.8593 k = 0.1896 0.3230-0.0000 ( 4535 PWs) bands (ev): -13.1861 -13.1855 -12.5363 -12.5361 -10.9153 -10.9096 -10.7691 -10.7652 -8.7774 -8.7508 -8.5887 -8.5522 -4.2011 -4.1987 -3.3453 -3.3357 -1.9100 -1.8824 -1.3069 -1.2290 -0.9356 -0.8830 0.2727 0.2951 1.0867 1.1300 1.2956 1.3140 1.5408 1.5869 2.1549 2.2106 3.1386 3.1492 3.3355 3.3425 3.5449 3.5504 4.0583 4.0804 4.2592 4.2627 4.2724 4.2787 4.6243 4.6255 5.0595 5.0644 10.4439 10.4507 11.5292 11.5438 12.2561 12.2723 12.4901 12.5160 12.8720 12.8968 k = 0.1982 0.3377-0.0000 ( 4531 PWs) bands (ev): -13.1663 -13.1657 -12.5379 -12.5378 -10.9802 -10.9749 -10.7466 -10.7423 -8.7645 -8.7369 -8.5930 -8.5568 -4.1944 -4.1921 -3.3129 -3.3033 -1.8319 -1.8042 -1.3307 -1.2542 -0.9809 -0.9262 0.3326 0.3536 1.0040 1.0471 1.3265 1.3462 1.4833 1.5301 2.2140 2.2707 3.1109 3.1215 3.2883 3.2953 3.5451 3.5506 4.0455 4.0678 4.2587 4.2591 4.2734 4.2762 4.6325 4.6336 5.0497 5.0547 10.5083 10.5161 11.5735 11.5881 12.2716 12.2893 12.5053 12.5318 12.9169 12.9406 k = 0.2069 0.3524-0.0000 ( 4535 PWs) bands (ev): -13.1462 -13.1456 -12.5397 -12.5395 -11.0438 -11.0389 -10.7227 -10.7182 -8.7516 -8.7230 -8.5997 -8.5638 -4.1867 -4.1846 -3.2800 -3.2705 -1.7550 -1.7273 -1.3510 -1.2760 -1.0261 -0.9694 0.3931 0.4125 0.9184 0.9609 1.3586 1.3794 1.4263 1.4735 2.2713 2.3288 3.0803 3.0905 3.2442 3.2510 3.5466 3.5521 4.0332 4.0555 4.2492 4.2512 4.2811 4.2812 4.6421 4.6430 5.0386 5.0437 10.5703 10.5792 11.6205 11.6352 12.2849 12.3040 12.5215 12.5484 12.9675 12.9899 k = 0.2155 0.3671-0.0000 ( 4547 PWs) bands (ev): -13.1260 -13.1253 -12.5414 -12.5412 -11.1061 -11.1015 -10.6975 -10.6927 -8.7389 -8.7094 -8.6085 -8.5731 -4.1784 -4.1765 -3.2468 -3.2374 -1.6795 -1.6518 -1.3677 -1.2941 -1.0708 -1.0121 0.4535 0.4714 0.8301 0.8718 1.3676 1.3908 1.4158 1.4184 2.3266 2.3848 3.0467 3.0564 3.2042 3.2103 3.5485 3.5540 4.0214 4.0436 4.2376 4.2405 4.2898 4.2907 4.6531 4.6538 5.0259 5.0311 10.6298 10.6398 11.6703 11.6851 12.2957 12.3161 12.5389 12.5659 13.0226 13.0443 k = 0.2241 0.3818-0.0000 ( 4543 PWs) bands (ev): -13.1056 -13.1049 -12.5431 -12.5430 -11.1671 -11.1628 -10.6711 -10.6660 -8.7265 -8.6961 -8.6193 -8.5844 -4.1699 -4.1681 -3.2134 -3.2041 -1.6056 -1.5777 -1.3804 -1.3083 -1.1147 -1.0542 0.5132 0.5293 0.7396 0.7800 1.3112 1.3597 1.4286 1.4519 2.3798 2.4387 3.0105 3.0193 3.1683 3.1737 3.5506 3.5558 4.0103 4.0322 4.2250 4.2284 4.3006 4.3020 4.6656 4.6661 5.0116 5.0170 10.6869 10.6980 11.7227 11.7376 12.3037 12.3251 12.5576 12.5845 13.0785 13.1031 k = 0.2327 0.3965-0.0000 ( 4547 PWs) bands (ev): -13.0851 -13.0844 -12.5448 -12.5447 -11.2267 -11.2227 -10.6432 -10.6378 -8.7144 -8.6832 -8.6319 -8.5976 -4.1613 -4.1597 -3.1800 -3.1710 -1.5336 -1.5053 -1.3888 -1.3186 -1.1571 -1.0950 0.5715 0.5828 0.6497 0.6859 1.2550 1.3044 1.4652 1.4900 2.4308 2.4905 2.9719 2.9798 3.1365 3.1412 3.5523 3.5573 3.9999 4.0213 4.2117 4.2155 4.3131 4.3149 4.6795 4.6800 4.9955 5.0011 10.7417 10.7537 11.7776 11.7925 12.3085 12.3303 12.5773 12.6041 13.0708 13.0944 k = 0.2413 0.4111-0.0000 ( 4557 PWs) bands (ev): -13.0647 -13.0640 -12.5465 -12.5464 -11.2848 -11.2811 -10.6140 -10.6083 -8.7029 -8.6708 -8.6460 -8.6124 -4.1531 -4.1517 -3.1469 -3.1381 -1.4645 -1.4346 -1.3921 -1.3247 -1.1976 -1.1342 0.5454 0.5879 0.6293 0.6466 1.1993 1.2495 1.5040 1.5301 2.4797 2.5400 2.9315 2.9386 3.1083 3.1124 3.5533 3.5580 3.9902 4.0111 4.1978 4.2020 4.3274 4.3295 4.6950 4.6954 4.9776 4.9834 10.7942 10.8072 11.8346 11.8496 12.3093 12.3310 12.5980 12.6245 13.0033 13.0181 k = 0.2499 0.4258-0.0000 ( 4549 PWs) bands (ev): -13.0444 -13.0436 -12.5482 -12.5481 -11.3414 -11.3380 -10.5835 -10.5774 -8.6920 -8.6614 -8.6592 -8.6285 -4.1454 -4.1441 -3.1143 -3.1059 -1.4095 -1.3796 -1.3661 -1.3263 -1.2350 -1.1713 0.4498 0.4901 0.6822 0.6972 1.1443 1.1950 1.5452 1.5724 2.5263 2.5873 2.8900 2.8964 3.0832 3.0870 3.5535 3.5577 3.9815 4.0016 4.1835 4.1882 4.3435 4.3457 4.7121 4.7124 4.9580 4.9640 10.8446 10.8586 11.8934 11.9085 12.3055 12.3261 12.6195 12.6456 12.9373 12.9460 k = 0.2586 0.4405-0.0000 ( 4545 PWs) bands (ev): -13.0242 -13.0235 -12.5498 -12.5497 -11.3965 -11.3933 -10.5515 -10.5451 -8.6819 -8.6779 -8.6484 -8.6458 -4.1384 -4.1373 -3.0824 -3.0744 -1.3963 -1.3269 -1.3258 -1.2976 -1.2659 -1.2057 0.3510 0.3899 0.7324 0.7457 1.0900 1.1412 1.5888 1.6171 2.5708 2.6324 2.8478 2.8537 3.0611 3.0647 3.5525 3.5561 3.9739 3.9930 4.1689 4.1740 4.3612 4.3636 4.7308 4.7311 4.9365 4.9427 10.8932 10.9080 11.9535 11.9687 12.2962 12.3146 12.6415 12.6672 12.8770 12.8792 k = 0.2672 0.4552-0.0000 ( 4537 PWs) bands (ev): -13.0043 -13.0036 -12.5513 -12.5512 -11.4499 -11.4470 -10.5182 -10.5114 -8.6953 -8.6727 -8.6641 -8.6386 -4.1324 -4.1314 -3.0516 -3.0440 -1.3885 -1.3188 -1.3115 -1.2486 -1.2400 -1.2301 0.2506 0.2882 0.7782 0.7904 1.0364 1.0880 1.6353 1.6644 2.6130 2.6753 2.8054 2.8109 3.0415 3.0452 3.5501 3.5530 3.9674 3.9855 4.1542 4.1598 4.3807 4.3831 4.7509 4.7513 4.9133 4.9197 10.9401 10.9557 12.0144 12.0298 12.2804 12.2953 12.6640 12.6891 12.8191 12.8244 k = 0.2758 0.4699-0.0000 ( 4537 PWs) bands (ev): -12.9848 -12.9840 -12.5527 -12.5527 -11.5017 -11.4990 -10.4834 -10.4762 -8.7135 -8.6832 -8.6646 -8.6298 -4.1274 -4.1265 -3.0220 -3.0150 -1.3803 -1.3321 -1.3081 -1.2652 -1.1898 -1.1699 0.1489 0.1853 0.8189 0.8303 0.9839 1.0354 1.6846 1.7146 2.6528 2.7159 2.7633 2.7684 3.0245 3.0284 3.5461 3.5483 3.9621 3.9791 4.1395 4.1454 4.4019 4.4042 4.7725 4.7731 4.8884 4.8950 10.9855 11.0017 12.0755 12.0914 12.2575 12.2677 12.6866 12.7111 12.7666 12.7799 k = 0.2844 0.4846-0.0000 ( 4537 PWs) bands (ev): -12.9656 -12.9649 -12.5540 -12.5540 -11.5518 -11.5493 -10.4472 -10.4397 -8.7322 -8.7028 -8.6577 -8.6224 -4.1235 -4.1227 -2.9940 -2.9874 -1.3802 -1.3396 -1.2937 -1.2885 -1.1296 -1.1092 0.0464 0.0815 0.8525 0.8648 0.9338 0.9835 1.7369 1.7676 2.6882 2.7238 2.7247 2.7558 3.0099 3.0142 3.5405 3.5418 3.9581 3.9740 4.1247 4.1310 4.4247 4.4269 4.7955 4.7963 4.8618 4.8687 11.0293 11.0461 12.1354 12.1528 12.2283 12.2321 12.7094 12.7216 12.7312 12.7449 k = 0.2930 0.4992-0.0000 ( 4533 PWs) bands (ev): -12.9470 -12.9462 -12.5553 -12.5553 -11.6003 -11.5979 -10.4097 -10.4017 -8.7513 -8.7229 -8.6521 -8.6163 -4.1208 -4.1200 -2.9678 -2.9617 -1.3923 -1.3269 -1.3077 -1.2749 -1.0709 -1.0506 -0.0568 -0.0230 0.8616 0.8925 0.9030 0.9334 1.7921 1.8234 2.6752 2.6831 2.7311 2.7921 2.9978 3.0025 3.5331 3.5335 3.9555 3.9703 4.1100 4.1166 4.4491 4.4512 4.8197 4.8208 4.8339 4.8409 11.0717 11.0891 12.1742 12.1871 12.2127 12.2165 12.6827 12.7098 12.7320 12.7564 k = 0.3017 0.5139-0.0000 ( 4541 PWs) bands (ev): -12.9289 -12.9281 -12.5564 -12.5563 -11.6469 -11.6448 -10.3708 -10.3624 -8.7707 -8.7433 -8.6480 -8.6119 -4.1193 -4.1185 -2.9434 -2.9378 -1.4049 -1.3217 -1.3049 -1.2525 -1.0143 -0.9943 -0.1602 -0.1277 0.8200 0.8773 0.9174 0.9207 1.8500 1.8819 2.6349 2.6415 2.7640 2.8268 2.9880 2.9933 3.5235 3.5240 3.9541 3.9680 4.0955 4.1022 4.4751 4.4768 4.8044 4.8116 4.8452 4.8466 11.1127 11.1305 12.1399 12.1403 12.2636 12.2759 12.6468 12.6790 12.7543 12.7778 k = 0.3103 0.5286-0.0000 ( 4537 PWs) bands (ev): -12.9114 -12.9106 -12.5573 -12.5572 -11.6918 -11.6898 -10.3306 -10.3217 -8.7901 -8.7637 -8.6455 -8.6091 -4.1189 -4.1182 -2.9211 -2.9159 -1.4135 -1.3303 -1.2780 -1.2264 -0.9598 -0.9402 -0.2636 -0.2325 0.7700 0.8277 0.9345 0.9370 1.9101 1.9427 2.5943 2.6005 2.7961 2.8596 2.9805 2.9864 3.5118 3.5132 3.9540 3.9669 4.0812 4.0879 4.5025 4.5039 4.7739 4.7812 4.8715 4.8734 11.1522 11.1703 12.0892 12.0934 12.3217 12.3356 12.6100 12.6437 12.7762 12.7991 k = 0.3189 0.5433-0.0000 ( 4545 PWs) bands (ev): -12.8946 -12.8939 -12.5580 -12.5579 -11.7348 -11.7330 -10.2890 -10.2797 -8.8094 -8.7841 -8.6448 -8.6082 -4.1197 -4.1188 -2.9008 -2.8960 -1.4170 -1.3335 -1.2471 -1.1970 -0.9076 -0.8885 -0.3667 -0.3371 0.7191 0.7771 0.9469 0.9487 1.9721 2.0054 2.5541 2.5602 2.8265 2.8907 2.9753 2.9819 3.4987 3.5010 3.9548 3.9672 4.0672 4.0737 4.5312 4.5322 4.7424 4.7498 4.8986 4.9010 11.1901 11.2084 12.0365 12.0439 12.3786 12.3941 12.5686 12.5998 12.7975 12.8195 k = 0.3275 0.5580-0.0000 ( 4549 PWs) bands (ev): -12.8786 -12.8778 -12.5585 -12.5584 -11.7761 -11.7744 -10.2462 -10.2364 -8.8286 -8.8044 -8.6460 -8.6093 -4.1214 -4.1205 -2.8825 -2.8779 -1.4149 -1.3311 -1.2127 -1.1643 -0.8578 -0.8392 -0.4690 -0.4412 0.6680 0.7265 0.9539 0.9550 2.0354 2.0696 2.5147 2.5207 2.8552 2.9199 2.9724 2.9797 3.4844 3.4874 3.9563 3.9685 4.0536 4.0595 4.5611 4.5617 4.7100 4.7176 4.9262 4.9292 11.2264 11.2448 11.9838 11.9936 12.4309 12.4510 12.5235 12.5471 12.8134 12.8195 k = 0.3361 0.5727-0.0000 ( 4545 PWs) bands (ev): -12.8634 -12.8626 -12.5588 -12.5587 -11.8154 -11.8139 -10.2022 -10.1919 -8.8475 -8.8243 -8.6492 -8.6124 -4.1241 -4.1232 -2.8659 -2.8616 -1.4073 -1.3231 -1.1754 -1.1287 -0.8105 -0.7923 -0.5702 -0.5443 0.6167 0.6758 0.9556 0.9562 2.0995 2.1346 2.4762 2.4822 2.8821 2.9474 2.9718 2.9799 3.4690 3.4728 3.9581 3.9707 4.0407 4.0455 4.5922 4.5922 4.6772 4.6848 4.9542 4.9577 11.2608 11.2793 11.9321 11.9438 12.4448 12.4863 12.5083 12.5094 12.8004 12.8384 k = 0.3361 0.5727-0.0000 ( 4545 PWs) bands (ev): -12.8634 -12.8626 -12.5588 -12.5587 -11.8154 -11.8139 -10.2022 -10.1919 -8.8475 -8.8243 -8.6492 -8.6124 -4.1241 -4.1232 -2.8659 -2.8616 -1.4073 -1.3231 -1.1754 -1.1287 -0.8105 -0.7923 -0.5702 -0.5443 0.6167 0.6758 0.9556 0.9562 2.0995 2.1346 2.4762 2.4822 2.8821 2.9474 2.9718 2.9799 3.4690 3.4728 3.9581 3.9707 4.0407 4.0455 4.5922 4.5922 4.6772 4.6848 4.9542 4.9577 11.2608 11.2793 11.9321 11.9438 12.4448 12.4863 12.5083 12.5094 12.8004 12.8384 k = 0.3193 0.5727-0.0000 ( 4544 PWs) bands (ev): -12.8713 -12.8705 -12.5595 -12.5593 -11.7941 -11.7925 -10.2249 -10.2149 -8.8380 -8.8143 -8.6472 -8.6105 -4.1221 -4.1212 -2.8761 -2.8717 -1.4122 -1.3285 -1.1948 -1.1479 -0.8363 -0.8184 -0.5149 -0.4881 0.6443 0.7030 0.9550 0.9559 2.0661 2.1008 2.4959 2.5020 2.8617 2.9213 2.9788 2.9921 3.4769 3.4803 3.9570 3.9694 4.0477 4.0529 4.5760 4.5763 4.6934 4.7009 4.9408 4.9441 11.2435 11.2622 11.9541 11.9661 12.4300 12.4590 12.5255 12.5433 12.8045 12.8241 k = 0.3025 0.5727-0.0000 ( 4545 PWs) bands (ev): -12.8801 -12.8793 -12.5616 -12.5614 -11.7687 -11.7670 -10.2487 -10.2389 -8.8283 -8.8041 -8.6455 -8.6089 -4.1194 -4.1183 -2.8909 -2.8865 -1.4169 -1.3348 -1.2133 -1.1680 -0.8638 -0.8461 -0.4536 -0.4263 0.6753 0.7335 0.9525 0.9537 2.0303 2.0645 2.5168 2.5231 2.8325 2.8875 2.9950 3.0121 3.4847 3.4878 3.9554 3.9678 4.0558 4.0610 4.5598 4.5606 4.7079 4.7153 4.9296 4.9324 11.2257 11.2450 11.9677 11.9823 12.3971 12.4240 12.5667 12.5890 12.8065 12.8097 k = 0.2857 0.5727-0.0000 ( 4549 PWs) bands (ev): -12.8895 -12.8887 -12.5649 -12.5647 -11.7397 -11.7380 -10.2735 -10.2640 -8.8184 -8.7937 -8.6442 -8.6076 -4.1157 -4.1144 -2.9101 -2.9057 -1.4220 -1.3429 -1.2305 -1.1884 -0.8891 -0.8708 -0.3903 -0.3628 0.7092 0.7668 0.9488 0.9502 1.9922 2.0259 2.5380 2.5445 2.8004 2.8526 3.0151 3.0338 3.4924 3.4952 3.9531 3.9657 4.0642 4.0690 4.5446 4.5458 4.7193 4.7262 4.9216 4.9238 11.2085 11.2286 11.9708 11.9890 12.3710 12.3988 12.6068 12.6305 12.7964 12.8040 k = 0.2689 0.5727-0.0000 ( 4549 PWs) bands (ev): -12.8993 -12.8985 -12.5693 -12.5691 -11.7077 -11.7058 -10.2992 -10.2900 -8.8084 -8.7832 -8.6432 -8.6066 -4.1109 -4.1094 -2.9333 -2.9290 -1.4279 -1.3532 -1.2469 -1.2093 -0.9098 -0.8902 -0.3267 -0.2994 0.7455 0.8021 0.9444 0.9458 1.9520 1.9852 2.5580 2.5645 2.7692 2.8187 3.0372 3.0563 3.4998 3.5023 3.9499 3.9629 4.0722 4.0762 4.5312 4.5330 4.7259 4.7322 4.9182 4.9196 11.1926 11.2135 11.9622 11.9837 12.3559 12.3847 12.6425 12.6661 12.7846 12.7988 k = 0.2521 0.5727-0.0000 ( 4549 PWs) bands (ev): -12.9092 -12.9085 -12.5745 -12.5743 -11.6730 -11.6710 -10.3260 -10.3171 -8.7984 -8.7726 -8.6424 -8.6060 -4.1050 -4.1032 -2.9601 -2.9560 -1.4348 -1.3656 -1.2633 -1.2310 -0.9240 -0.9027 -0.2641 -0.2372 0.7834 0.8381 0.9407 0.9416 1.9097 1.9424 2.5729 2.5803 2.7437 2.7886 3.0602 3.0792 3.5068 3.5091 3.9454 3.9590 4.0793 4.0822 4.5203 4.5228 4.7270 4.7324 4.9201 4.9206 11.1788 11.2004 11.9424 11.9658 12.3519 12.3810 12.6735 12.6957 12.7747 12.7933 k = 0.2353 0.5727-0.0000 ( 4547 PWs) bands (ev): -12.9191 -12.9184 -12.5803 -12.5800 -11.6361 -11.6340 -10.3538 -10.3452 -8.7883 -8.7620 -8.6420 -8.6057 -4.0978 -4.0958 -2.9900 -2.9863 -1.4427 -1.3794 -1.2809 -1.2538 -0.9310 -0.9081 -0.2031 -0.1770 0.8217 0.8714 0.9382 0.9421 1.8657 1.8979 2.5748 2.5875 2.7315 2.7674 3.0835 3.1021 3.5134 3.5154 3.9393 3.9534 4.0849 4.0866 4.5125 4.5156 4.7225 4.7270 4.9267 4.9273 11.1674 11.1898 11.9134 11.9376 12.3564 12.3852 12.7004 12.7202 12.7672 12.7890 k = 0.2185 0.5727-0.0000 ( 4553 PWs) bands (ev): -12.9289 -12.9282 -12.5864 -12.5862 -11.5975 -11.5953 -10.3826 -10.3742 -8.7783 -8.7515 -8.6418 -8.6058 -4.0894 -4.0871 -3.0227 -3.0194 -1.4514 -1.3939 -1.3002 -1.2774 -0.9307 -0.9066 -0.1445 -0.1194 0.8573 0.8932 0.9397 0.9567 1.8201 1.8518 2.5582 2.5808 2.7375 2.7614 3.1068 3.1249 3.5193 3.5212 3.9312 3.9457 4.0889 4.0894 4.5082 4.5119 4.7132 4.7169 4.9370 4.9384 11.1589 11.1819 11.8778 11.9022 12.3657 12.3940 12.7233 12.7397 12.7643 12.7878 k = 0.2017 0.5727-0.0000 ( 4552 PWs) bands (ev): -12.9384 -12.9377 -12.5926 -12.5924 -11.5575 -11.5553 -10.4122 -10.4041 -8.7683 -8.7411 -8.6419 -8.6061 -4.0796 -4.0770 -3.0576 -3.0546 -1.4605 -1.4085 -1.3209 -1.3016 -0.9240 -0.8994 -0.0887 -0.0649 0.8825 0.9006 0.9532 0.9888 1.7730 1.8042 2.5279 2.5584 2.7575 2.7720 3.1295 3.1471 3.5246 3.5265 3.9208 3.9355 4.0909 4.0916 4.5073 4.5115 4.7006 4.7038 4.9502 4.9521 11.1535 11.1771 11.8379 11.8622 12.3768 12.4049 12.7383 12.7491 12.7744 12.7934 k = 0.1849 0.5727-0.0000 ( 4554 PWs) bands (ev): -12.9475 -12.9469 -12.5989 -12.5987 -11.5167 -11.5143 -10.4425 -10.4348 -8.7586 -8.7309 -8.6424 -8.6068 -4.0684 -4.0657 -3.0940 -3.0916 -1.4697 -1.4228 -1.3424 -1.3256 -0.9119 -0.8877 -0.0364 -0.0142 0.8923 0.9037 0.9836 1.0289 1.7248 1.7555 2.4904 2.5252 2.7853 2.7941 3.1513 3.1682 3.5292 3.5310 3.9079 3.9227 4.0916 4.0932 4.5095 4.5141 4.6860 4.6887 4.9649 4.9672 11.1515 11.1755 11.7955 11.8196 12.3880 12.4157 12.7417 12.7519 12.7966 12.8094 k = 0.1681 0.5727-0.0000 ( 4551 PWs) bands (ev): -12.9561 -12.9555 -12.6050 -12.6047 -11.4754 -11.4729 -10.4735 -10.4662 -8.7490 -8.7210 -8.6431 -8.6078 -4.0560 -4.0532 -3.1315 -3.1295 -1.4788 -1.4366 -1.3639 -1.3489 -0.8961 -0.8726 0.0119 0.0323 0.8956 0.9075 1.0232 1.0715 1.6757 1.7058 2.4497 2.4864 2.8174 2.8228 3.1715 3.1879 3.5332 3.5349 3.8926 3.9071 4.0919 4.0940 4.5145 4.5193 4.6703 4.6726 4.9803 4.9827 11.1529 11.1773 11.7518 11.7757 12.3981 12.4254 12.7407 12.7518 12.8229 12.8339 k = 0.1513 0.5727-0.0000 ( 4554 PWs) bands (ev): -12.9641 -12.9636 -12.6108 -12.6105 -11.4340 -11.4314 -10.5049 -10.4979 -8.7398 -8.7113 -8.6442 -8.6092 -4.0425 -4.0395 -3.1694 -3.1679 -1.4874 -1.4495 -1.3846 -1.3710 -0.8777 -0.8555 0.0557 0.0739 0.8996 0.9134 1.0658 1.1147 1.6260 1.6556 2.4076 2.4448 2.8520 2.8552 3.1897 3.2055 3.5365 3.5382 3.8752 3.8893 4.0922 4.0945 4.5214 4.5262 4.6543 4.6564 4.9956 4.9980 11.1578 11.1825 11.7075 11.7314 12.4070 12.4334 12.7391 12.7502 12.8512 12.8637 k = 0.1345 0.5727-0.0000 ( 4552 PWs) bands (ev): -12.9715 -12.9710 -12.6162 -12.6160 -11.3930 -11.3904 -10.5365 -10.5299 -8.7309 -8.7021 -8.6456 -8.6110 -4.0280 -4.0250 -3.2070 -3.2059 -1.4954 -1.4615 -1.4039 -1.3915 -0.8579 -0.8373 0.0943 0.1102 0.9070 0.9230 1.1086 1.1571 1.5762 1.6050 2.3656 2.4023 2.8882 2.8898 3.2052 3.2203 3.5394 3.5409 3.8563 3.8697 4.0926 4.0950 4.5296 4.5343 4.6387 4.6406 5.0102 5.0126 11.1662 11.1912 11.6633 11.6873 12.4146 12.4395 12.7378 12.7480 12.8813 12.8963 k = 0.1176 0.5727-0.0000 ( 4554 PWs) bands (ev): -12.9781 -12.9777 -12.6211 -12.6209 -11.3529 -11.3502 -10.5679 -10.5618 -8.7223 -8.6933 -8.6472 -8.6131 -4.0127 -4.0098 -3.2437 -3.2429 -1.5027 -1.4727 -1.4213 -1.4101 -0.8378 -0.8191 0.1275 0.1410 0.9187 0.9372 1.1500 1.1978 1.5268 1.5547 2.3246 2.3599 2.9251 2.9257 3.2173 3.2316 3.5421 3.5432 3.8366 3.8492 4.0932 4.0955 4.5383 4.5427 4.6239 4.6256 5.0239 5.0261 11.1780 11.2032 11.6196 11.6436 12.4211 12.4440 12.7366 12.7457 12.9132 12.9305 k = 0.1008 0.5727-0.0000 ( 4549 PWs) bands (ev): -12.9840 -12.9837 -12.6255 -12.6253 -11.3143 -11.3117 -10.5986 -10.5929 -8.7141 -8.6850 -8.6491 -8.6156 -3.9972 -3.9945 -3.2786 -3.2781 -1.5090 -1.4829 -1.4366 -1.4265 -0.8182 -0.8016 0.1551 0.1662 0.9356 0.9564 1.1881 1.2350 1.4787 1.5057 2.2857 2.3189 2.9619 2.9627 3.2251 3.2386 3.5447 3.5455 3.8171 3.8286 4.0940 4.0960 4.5470 4.5509 4.6105 4.6120 5.0362 5.0382 11.1931 11.2185 11.5766 11.6007 12.4266 12.4470 12.7357 12.7435 12.9462 12.9654 k = 0.0840 0.5727-0.0000 ( 4549 PWs) bands (ev): -12.9890 -12.9888 -12.6293 -12.6291 -11.2780 -11.2755 -10.6279 -10.6228 -8.7064 -8.6776 -8.6511 -8.6186 -3.9820 -3.9794 -3.3108 -3.3105 -1.5143 -1.4922 -1.4493 -1.4405 -0.7999 -0.7857 0.1771 0.1860 0.9577 0.9809 1.2201 1.2665 1.4342 1.4597 2.2499 2.2801 2.9983 3.0000 3.2281 3.2407 3.5475 3.5479 3.7985 3.8088 4.0949 4.0966 4.5548 4.5582 4.5989 4.6002 5.0470 5.0487 11.2115 11.2369 11.5346 11.5589 12.4314 12.4490 12.7350 12.7415 12.9797 13.0001 k = 0.0672 0.5727-0.0000 ( 4544 PWs) bands (ev): -12.9932 -12.9930 -12.6324 -12.6323 -11.2450 -11.2427 -10.6549 -10.6505 -8.6992 -8.6714 -8.6526 -8.6219 -3.9676 -3.9653 -3.3395 -3.3392 -1.5184 -1.5005 -1.4595 -1.4521 -0.7836 -0.7720 0.1941 0.2008 0.9849 1.0102 1.2403 1.2868 1.3979 1.4213 2.2185 2.2447 3.0341 3.0367 3.2257 3.2372 3.5503 3.5507 3.7819 3.7907 4.0958 4.0972 4.5609 4.5635 4.5901 4.5910 5.0561 5.0576 11.2330 11.2584 11.4938 11.5183 12.4356 12.4500 12.7345 12.7397 13.0128 13.0335 k = 0.0504 0.5727-0.0000 ( 4543 PWs) bands (ev): -12.9965 -12.9963 -12.6349 -12.6348 -11.2166 -11.2146 -10.6783 -10.6748 -8.6924 -8.6679 -8.6523 -8.6257 -3.9549 -3.9531 -3.3635 -3.3632 -1.5213 -1.5077 -1.4671 -1.4614 -0.7700 -0.7611 0.2065 0.2113 1.0166 1.0438 1.2399 1.2844 1.3799 1.3992 2.1930 2.2140 3.0687 3.0722 3.2177 3.2280 3.5532 3.5538 3.7680 3.7750 4.0966 4.0977 4.5642 4.5657 4.5851 4.5856 5.0634 5.0645 11.2574 11.2828 11.4545 11.4791 12.4392 12.4502 12.7343 12.7381 13.0445 13.0643 k = 0.0336 0.5727-0.0000 ( 4546 PWs) bands (ev): -12.9988 -12.9987 -12.6367 -12.6366 -11.1943 -11.1928 -10.6966 -10.6941 -8.6862 -8.6683 -8.6492 -8.6298 -3.9448 -3.9436 -3.3817 -3.3814 -1.5228 -1.5136 -1.4721 -1.4682 -0.7594 -0.7534 0.2149 0.2180 1.0519 1.0802 1.2177 1.2566 1.3818 1.3949 2.1746 2.1895 3.1014 3.1059 3.2043 3.2133 3.5559 3.5565 3.7577 3.7626 4.0973 4.0980 4.5640 4.5646 4.5840 4.5845 5.0687 5.0694 11.2845 11.3097 11.4167 11.4415 12.4424 12.4497 12.7343 12.7368 13.0730 13.0899 k = 0.0168 0.5727-0.0000 ( 4548 PWs) bands (ev): -13.0003 -13.0002 -12.6378 -12.6377 -11.1798 -11.1790 -10.7083 -10.7070 -8.6805 -8.6713 -8.6444 -8.6344 -3.9382 -3.9376 -3.3930 -3.3928 -1.5228 -1.5182 -1.4747 -1.4727 -0.7523 -0.7493 0.2200 0.2216 1.0891 1.1153 1.1872 1.2183 1.3899 1.3965 2.1647 2.1724 3.1312 3.1364 3.1865 3.1939 3.5579 3.5583 3.7517 3.7543 4.0978 4.0982 4.5625 4.5626 4.5847 4.5851 5.0720 5.0724 11.3140 11.3389 11.3811 11.4057 12.4450 12.4487 12.7345 12.7358 13.0957 13.1060 k = 0.0000 0.5727-0.0000 ( 4544 PWs) bands (ev): -13.0007 -13.0007 -12.6381 -12.6381 -11.1745 -11.1745 -10.7119 -10.7119 -8.6755 -8.6755 -8.6393 -8.6393 -3.9357 -3.9357 -3.3968 -3.3968 -1.5212 -1.5212 -1.4748 -1.4748 -0.7489 -0.7489 0.2222 0.2222 1.1215 1.1215 1.1834 1.1834 1.3956 1.3956 2.1639 2.1639 3.1528 3.1528 3.1750 3.1750 3.5588 3.5588 3.7506 3.7506 4.0981 4.0981 4.5618 4.5618 4.5853 4.5853 5.0732 5.0732 11.3452 11.3452 11.3725 11.3725 12.4471 12.4471 12.7350 12.7350 13.1081 13.1081 k = 0.0000 0.5727-0.0000 ( 4544 PWs) bands (ev): -13.0007 -13.0007 -12.6381 -12.6381 -11.1745 -11.1745 -10.7119 -10.7119 -8.6755 -8.6755 -8.6393 -8.6393 -3.9357 -3.9357 -3.3968 -3.3968 -1.5212 -1.5212 -1.4748 -1.4748 -0.7489 -0.7489 0.2222 0.2222 1.1215 1.1215 1.1834 1.1834 1.3956 1.3956 2.1639 2.1639 3.1528 3.1528 3.1750 3.1750 3.5588 3.5588 3.7506 3.7506 4.0981 4.0981 4.5618 4.5618 4.5853 4.5853 5.0732 5.0732 11.3452 11.3452 11.3725 11.3725 12.4471 12.4471 12.7350 12.7350 13.1081 13.1081 k = 0.0000 0.5727 0.0169 ( 4548 PWs) bands (ev): -13.0003 -13.0003 -12.6381 -12.6381 -11.1737 -11.1737 -10.7114 -10.7113 -8.6781 -8.6774 -8.6418 -8.6416 -3.9344 -3.9343 -3.3957 -3.3943 -1.5192 -1.5186 -1.4743 -1.4736 -0.7483 -0.7472 0.2183 0.2204 1.1195 1.1198 1.1772 1.1799 1.3992 1.4029 2.1648 2.1657 3.1492 3.1494 3.1759 3.1759 3.5610 3.5615 3.7506 3.7509 4.0971 4.0975 4.5619 4.5624 4.5860 4.5862 5.0730 5.0731 11.3418 11.3456 11.3703 11.3722 12.4357 12.4358 12.7324 12.7350 13.1132 13.1141 k = 0.0000 0.5727 0.0338 ( 4548 PWs) bands (ev): -12.9992 -12.9992 -12.6381 -12.6381 -11.1712 -11.1711 -10.7098 -10.7095 -8.6851 -8.6837 -8.6491 -8.6487 -3.9302 -3.9300 -3.3910 -3.3882 -1.5128 -1.5119 -1.4715 -1.4702 -0.7455 -0.7434 0.2087 0.2130 1.1141 1.1145 1.1629 1.1679 1.4126 1.4194 2.1682 2.1700 3.1387 3.1391 3.1787 3.1788 3.5678 3.5688 3.7509 3.7516 4.0947 4.0954 4.5626 4.5635 4.5883 4.5887 5.0724 5.0725 11.3355 11.3429 11.3656 11.3693 12.4033 12.4038 12.7276 12.7322 13.1270 13.1290 k = 0.0000 0.5727 0.0508 ( 4552 PWs) bands (ev): -12.9973 -12.9973 -12.6381 -12.6380 -11.1670 -11.1669 -10.7070 -10.7066 -8.6966 -8.6945 -8.6612 -8.6606 -3.9233 -3.9230 -3.3828 -3.3787 -1.5039 -1.5033 -1.4645 -1.4633 -0.7402 -0.7370 0.1936 0.1999 1.1054 1.1055 1.1441 1.1511 1.4326 1.4416 2.1739 2.1766 3.1218 3.1226 3.1834 3.1838 3.5785 3.5799 3.7516 3.7526 4.0906 4.0918 4.5637 4.5648 4.5923 4.5927 5.0714 5.0716 11.3264 11.3373 11.3585 11.3643 12.3548 12.3562 12.7208 12.7268 13.1448 13.1480 k = 0.0000 0.5727 0.0677 ( 4554 PWs) bands (ev): -12.9947 -12.9946 -12.6380 -12.6380 -11.1611 -11.1611 -10.7032 -10.7026 -8.7123 -8.7095 -8.6778 -8.6770 -3.9136 -3.9132 -3.3712 -3.3657 -1.4967 -1.4959 -1.4499 -1.4498 -0.7322 -0.7280 0.1731 0.1813 1.0928 1.0940 1.1236 1.1326 1.4561 1.4667 2.1817 2.1851 3.0998 3.1008 3.1900 3.1905 3.5922 3.5939 3.7528 3.7539 4.0851 4.0866 4.5651 4.5661 4.5983 4.5985 5.0700 5.0703 11.3148 11.3287 11.3494 11.3573 12.2956 12.2979 12.7123 12.7189 13.1626 13.1668 k = 0.0000 0.5727 0.0846 ( 4554 PWs) bands (ev): -12.9913 -12.9912 -12.6380 -12.6379 -11.1536 -11.1535 -10.6981 -10.6974 -8.7323 -8.7289 -8.6988 -8.6978 -3.9014 -3.9009 -3.3563 -3.3496 -1.4938 -1.4915 -1.4279 -1.4262 -0.7209 -0.7157 0.1473 0.1572 1.0772 1.0799 1.1034 1.1145 1.4810 1.4929 2.1908 2.1950 3.0737 3.0750 3.1981 3.1989 3.6078 3.6099 3.7543 3.7557 4.0781 4.0799 4.5665 4.5674 4.6059 4.6060 5.0682 5.0685 11.3011 11.3177 11.3385 11.3487 12.2299 12.2335 12.7019 12.7090 13.1784 13.1833 k = 0.0000 0.5727 0.1015 ( 4550 PWs) bands (ev): -12.9873 -12.9871 -12.6380 -12.6379 -11.1443 -11.1442 -10.6920 -10.6911 -8.7564 -8.7523 -8.7239 -8.7228 -3.8866 -3.8859 -3.3383 -3.3303 -1.4940 -1.4905 -1.3981 -1.3951 -0.7060 -0.6998 0.1166 0.1281 1.0601 1.0639 1.0845 1.0971 1.5060 1.5188 2.2009 2.2057 3.0444 3.0460 3.2075 3.2086 3.6246 3.6270 3.7563 3.7578 4.0697 4.0718 4.5679 4.5685 4.6149 4.6154 5.0659 5.0663 11.2857 11.3046 11.3263 11.3388 12.1612 12.1661 12.6899 12.6971 13.1919 13.1972 k = 0.0000 0.5727 0.1184 ( 4552 PWs) bands (ev): -12.9825 -12.9823 -12.6380 -12.6379 -11.1334 -11.1333 -10.6846 -10.6836 -8.7844 -8.7798 -8.7529 -8.7516 -3.8694 -3.8686 -3.3174 -3.3083 -1.4969 -1.4924 -1.3619 -1.3578 -0.6869 -0.6798 0.0815 0.0943 1.0428 1.0470 1.0669 1.0803 1.5302 1.5438 2.2113 2.2167 3.0128 3.0146 3.2178 3.2193 3.6420 3.6446 3.7589 3.7604 4.0598 4.0623 4.5690 4.5693 4.6253 4.6262 5.0631 5.0637 11.2692 11.2901 11.3130 11.3278 12.0920 12.0980 12.6763 12.6836 13.2033 13.2087 k = 0.0000 0.5727 0.1353 ( 4546 PWs) bands (ev): -12.9770 -12.9768 -12.6381 -12.6380 -11.1208 -11.1206 -10.6761 -10.6750 -8.8163 -8.8112 -8.7853 -8.7840 -3.8499 -3.8490 -3.2938 -3.2836 -1.5025 -1.4972 -1.3203 -1.3151 -0.6632 -0.6552 0.0425 0.0562 1.0265 1.0304 1.0505 1.0640 1.5530 1.5673 2.2213 2.2272 2.9797 2.9817 3.2287 3.2305 3.6593 3.6622 3.7620 3.7635 4.0487 4.0515 4.5698 4.5698 4.6368 4.6381 5.0598 5.0605 11.2523 11.2750 11.2988 11.3159 12.0240 12.0312 12.6613 12.6687 13.2130 13.2183 k = 0.0000 0.5727 0.1523 ( 4550 PWs) bands (ev): -12.9709 -12.9707 -12.6383 -12.6382 -11.1064 -11.1062 -10.6665 -10.6651 -8.8518 -8.8465 -8.8208 -8.8197 -3.8282 -3.8272 -3.2678 -3.2567 -1.5109 -1.5050 -1.2741 -1.2678 -0.6345 -0.6256 0.0002 0.0147 1.0118 1.0148 1.0353 1.0481 1.5741 1.5890 2.2303 2.2367 2.9458 2.9479 3.2396 3.2419 3.6762 3.6793 3.7658 3.7671 4.0363 4.0394 4.5698 4.5702 4.6494 4.6510 5.0560 5.0568 11.2357 11.2599 11.2840 11.3033 11.9586 11.9670 12.6451 12.6525 13.2215 13.2263 k = 0.0000 0.5727 0.1692 ( 4550 PWs) bands (ev): -12.9642 -12.9640 -12.6386 -12.6385 -11.0903 -11.0901 -10.6556 -10.6542 -8.8908 -8.8854 -8.8591 -8.8581 -3.8045 -3.8033 -3.2397 -3.2276 -1.5222 -1.5158 -1.2240 -1.2165 -0.6006 -0.5908 -0.0443 -0.0294 0.9989 1.0001 1.0216 1.0329 1.5934 1.6087 2.2376 2.2445 2.9115 2.9137 3.2501 3.2529 3.6924 3.6957 3.7703 3.7713 4.0229 4.0263 4.5693 4.5700 4.6628 4.6646 5.0516 5.0525 11.2200 11.2457 11.2690 11.2902 11.8972 11.9067 12.6276 12.6353 13.2288 13.2332 k = 0.0000 0.5727 0.1861 ( 4548 PWs) bands (ev): -12.9569 -12.9566 -12.6391 -12.6390 -11.0725 -11.0723 -10.6436 -10.6420 -8.9330 -8.9278 -8.8996 -8.8991 -3.7788 -3.7775 -3.2097 -3.1968 -1.5366 -1.5299 -1.1710 -1.1622 -0.5612 -0.5506 -0.0901 -0.0751 0.9865 0.9879 1.0096 1.0187 1.6106 1.6263 2.2425 2.2499 2.8777 2.8798 3.2596 3.2630 3.7076 3.7110 3.7755 3.7761 4.0087 4.0123 4.5680 4.5690 4.6767 4.6787 5.0467 5.0476 11.2059 11.2330 11.2540 11.2770 11.8406 11.8511 12.6090 12.6171 13.2351 13.2390 k = 0.0000 0.5727 0.2030 ( 4546 PWs) bands (ev): -12.9490 -12.9488 -12.6397 -12.6396 -11.0530 -11.0527 -10.6304 -10.6286 -8.9784 -8.9734 -8.9422 -8.9422 -3.7514 -3.7499 -3.1781 -3.1646 -1.5540 -1.5470 -1.1164 -1.1062 -0.5166 -0.5053 -0.1356 -0.1209 0.9740 0.9786 0.9995 1.0056 1.6257 1.6417 2.2444 2.2523 2.8448 2.8468 3.2674 3.2715 3.7217 3.7251 3.7813 3.7814 3.9941 3.9978 4.5658 4.5671 4.6911 4.6932 5.0411 5.0422 11.1939 11.2225 11.2393 11.2638 11.7898 11.8012 12.5895 12.5980 13.2406 13.2438 k = 0.0000 0.5727 0.2199 ( 4544 PWs) bands (ev): -12.9406 -12.9403 -12.6405 -12.6404 -11.0317 -11.0314 -10.6159 -10.6140 -9.0265 -9.0219 -8.9873 -8.9866 -3.7222 -3.7205 -3.1453 -3.1312 -1.5742 -1.5671 -1.0620 -1.0500 -0.4668 -0.4550 -0.1790 -0.1649 0.9626 0.9710 0.9915 0.9940 1.6387 1.6549 2.2426 2.2510 2.8135 2.8153 3.2731 3.2780 3.7343 3.7377 3.7870 3.7875 3.9796 3.9834 4.5625 4.5641 4.7056 4.7079 5.0350 5.0361 11.1844 11.2147 11.2253 11.2508 11.7454 11.7577 12.5691 12.5783 13.2451 13.2478 k = 0.0000 0.5727 0.2369 ( 4540 PWs) bands (ev): -12.9318 -12.9315 -12.6416 -12.6414 -11.0087 -11.0084 -10.6003 -10.5982 -9.0770 -9.0728 -9.0339 -9.0327 -3.6915 -3.6896 -3.1115 -3.0970 -1.5969 -1.5898 -1.0100 -0.9960 -0.4125 -0.4003 -0.2174 -0.2045 0.9526 0.9647 0.9842 0.9852 1.6496 1.6660 2.2364 2.2453 2.7843 2.7860 3.2760 3.2817 3.7454 3.7489 3.7924 3.7935 3.9660 3.9698 4.5580 4.5597 4.7203 4.7226 5.0284 5.0296 11.1777 11.2101 11.2125 11.2385 11.7081 11.7210 12.5479 12.5579 13.2487 13.2508 k = 0.0000 0.5727 0.2538 ( 4538 PWs) bands (ev): -12.9225 -12.9221 -12.6429 -12.6427 -10.9840 -10.9836 -10.5834 -10.5812 -9.1298 -9.1259 -9.0819 -9.0801 -3.6593 -3.6572 -3.0772 -3.0623 -1.6217 -1.6148 -0.9640 -0.9478 -0.3547 -0.3434 -0.2457 -0.2355 0.9441 0.9596 0.9765 0.9807 1.6584 1.6749 2.2253 2.2347 2.7579 2.7593 3.2758 3.2823 3.7549 3.7584 3.7967 3.7984 3.9545 3.9582 4.5519 4.5540 4.7350 4.7373 5.0212 5.0226 11.1734 11.2019 11.2089 11.2273 11.6783 11.6918 12.5260 12.5370 13.2515 13.2529 k = 0.0000 0.5727 0.2707 ( 4546 PWs) bands (ev): -12.9128 -12.9124 -12.6445 -12.6443 -10.9575 -10.9571 -10.5653 -10.5630 -9.1843 -9.1807 -9.1310 -9.1288 -3.6257 -3.6234 -3.0426 -3.0276 -1.6480 -1.6414 -0.9285 -0.9098 -0.2992 -0.2967 -0.2482 -0.2473 0.9375 0.9553 0.9711 0.9776 1.6652 1.6816 2.2088 2.2188 2.7347 2.7358 3.2718 3.2793 3.7627 3.7662 3.7986 3.8009 3.9467 3.9500 4.5443 4.5466 4.7494 4.7517 5.0137 5.0151 11.1703 11.1955 11.2101 11.2188 11.6562 11.6701 12.5035 12.5157 13.2532 13.2541 k = 0.0000 0.5727 0.2876 ( 4540 PWs) bands (ev): -12.9027 -12.9024 -12.6464 -12.6461 -10.9293 -10.9289 -10.5460 -10.5436 -9.2403 -9.2370 -9.1811 -9.1785 -3.5908 -3.5884 -3.0083 -2.9933 -1.6753 -1.6692 -0.9082 -0.8871 -0.2820 -0.2728 -0.2111 -0.1967 0.9329 0.9518 0.9682 0.9759 1.6699 1.6863 2.1868 2.1972 2.7149 2.7157 3.2639 3.2722 3.7687 3.7723 3.7970 3.7994 3.9442 3.9469 4.5351 4.5376 4.7636 4.7659 5.0058 5.0072 11.1664 11.1956 11.2061 11.2213 11.6422 11.6564 12.4807 12.4943 13.2540 13.2543 k = 0.0000 0.5727 0.3045 ( 4540 PWs) bands (ev): -12.8924 -12.8920 -12.6486 -12.6484 -10.8994 -10.8990 -10.5256 -10.5229 -9.2975 -9.2945 -9.2319 -9.2289 -3.5548 -3.5521 -2.9747 -2.9599 -1.7030 -1.6975 -0.9062 -0.8832 -0.2614 -0.2518 -0.1454 -0.1293 0.9305 0.9494 0.9676 0.9755 1.6725 1.6887 2.1591 2.1700 2.6985 2.6991 3.2517 3.2609 3.7729 3.7765 3.7910 3.7936 3.9479 3.9498 4.5242 4.5269 4.7774 4.7796 4.9977 4.9992 11.1617 11.2000 11.2025 11.2319 11.6362 11.6506 12.4579 12.4729 13.2534 13.2537 k = 0.0000 0.5727 0.3214 ( 4544 PWs) bands (ev): -12.8818 -12.8814 -12.6513 -12.6510 -10.8678 -10.8673 -10.5039 -10.5011 -9.3555 -9.3527 -9.2832 -9.2799 -3.5176 -3.5147 -2.9422 -2.9278 -1.7301 -1.7255 -0.9221 -0.8980 -0.2236 -0.2138 -0.0745 -0.0577 0.9305 0.9482 0.9693 0.9763 1.6731 1.6890 2.1261 2.1374 2.6855 2.6859 3.2352 3.2451 3.7752 3.7785 3.7813 3.7842 3.9573 3.9582 4.5116 4.5145 4.7907 4.7928 4.9895 4.9910 11.1582 11.1959 11.2146 11.2468 11.6382 11.6527 12.4353 12.4520 13.2513 13.2522 k = 0.0000 0.5727 0.3384 ( 4550 PWs) bands (ev): -12.8710 -12.8706 -12.6543 -12.6539 -10.8346 -10.8340 -10.4811 -10.4782 -9.4142 -9.4116 -9.3348 -9.3313 -3.4794 -3.4763 -2.9117 -2.8978 -1.7560 -1.7525 -0.9529 -0.9283 -0.1705 -0.1599 -0.0016 0.0156 0.9332 0.9485 0.9732 0.9785 1.6715 1.6871 2.0879 2.0997 2.6756 2.6758 3.2143 3.2249 3.7688 3.7710 3.7760 3.7801 3.9711 3.9712 4.4975 4.5005 4.8035 4.8054 4.9812 4.9827 11.1567 11.1943 11.2306 11.2654 11.6481 11.6626 12.4136 12.4321 13.2477 13.2493 k = 0.0000 0.5727 0.3553 ( 4550 PWs) bands (ev): -12.8600 -12.8596 -12.6577 -12.6573 -10.7997 -10.7991 -10.4573 -10.4542 -9.4731 -9.4706 -9.3864 -9.3827 -3.4402 -3.4370 -2.8836 -2.8706 -1.7797 -1.7774 -0.9945 -0.9698 -0.1063 -0.0944 0.0720 0.0894 0.9389 0.9503 0.9797 0.9821 1.6676 1.6827 2.0451 2.0572 2.6684 2.6684 3.1893 3.2004 3.7553 3.7579 3.7749 3.7789 3.9874 3.9881 4.4819 4.4850 4.8155 4.8174 4.9731 4.9746 11.1578 11.1957 11.2498 11.2869 11.6658 11.6804 12.3935 12.4139 13.2419 13.2445 k = 0.0000 0.5727 0.3722 ( 4552 PWs) bands (ev): -12.8490 -12.8485 -12.6615 -12.6611 -10.7632 -10.7626 -10.4324 -10.4293 -9.5319 -9.5296 -9.4380 -9.4341 -3.4003 -3.3969 -2.8589 -2.8470 -1.8002 -1.7993 -1.0433 -1.0189 -0.0349 -0.0214 0.1451 0.1625 0.9479 0.9539 0.9874 0.9892 1.6613 1.6758 1.9981 2.0106 2.6636 2.6637 3.1603 3.1717 3.7418 3.7446 3.7722 3.7762 4.0059 4.0072 4.4650 4.4683 4.8269 4.8286 4.9652 4.9666 11.1617 11.2000 11.2710 11.3107 11.6911 11.7057 12.3759 12.3981 13.2308 13.2357 k = 0.0000 0.5727 0.3891 ( 4558 PWs) bands (ev): -12.8379 -12.8374 -12.6658 -12.6654 -10.7253 -10.7246 -10.4068 -10.4036 -9.5903 -9.5881 -9.4892 -9.4852 -3.3596 -3.3561 -2.8384 -2.8277 -1.8172 -1.8164 -1.0969 -1.0728 0.0406 0.0559 0.2164 0.2335 0.9594 0.9607 0.9948 1.0020 1.6524 1.6662 1.9473 1.9602 2.6610 2.6614 3.1277 3.1394 3.7289 3.7320 3.7679 3.7721 4.0259 4.0277 4.4469 4.4504 4.8374 4.8390 4.9576 4.9589 11.1685 11.2073 11.2934 11.3355 11.7238 11.7384 12.3617 12.3858 13.2031 13.2087 k = 0.0000 0.5727 0.4060 ( 4556 PWs) bands (ev): -12.8267 -12.8263 -12.6705 -12.6701 -10.6859 -10.6851 -10.3806 -10.3773 -9.6479 -9.6458 -9.5398 -9.5357 -3.3183 -3.3147 -2.8228 -2.8136 -1.8301 -1.8273 -1.1534 -1.1296 0.1177 0.1349 0.2847 0.3009 0.9672 0.9778 1.0050 1.0189 1.6406 1.6535 1.8930 1.9064 2.6606 2.6611 3.0922 3.1039 3.7173 3.7206 3.7624 3.7666 4.0470 4.0491 4.4280 4.4316 4.8472 4.8486 4.9504 4.9516 11.1782 11.2176 11.3156 11.3601 11.7637 11.7784 12.3524 12.3782 13.1592 13.1616 k = 0.0000 0.5727 0.4229 ( 4556 PWs) bands (ev): -12.8157 -12.8152 -12.6757 -12.6753 -10.6451 -10.6443 -10.3542 -10.3508 -9.7040 -9.7021 -9.5897 -9.5855 -3.2766 -3.2728 -2.8129 -2.8053 -1.8370 -1.8321 -1.2115 -1.1881 0.1941 0.2132 0.3485 0.3631 0.9779 0.9992 1.0192 1.0404 1.6256 1.6375 1.8357 1.8496 2.6622 2.6630 3.0545 3.0660 3.7072 3.7108 3.7557 3.7600 4.0686 4.0710 4.4084 4.4120 4.8561 4.8574 4.9436 4.9448 11.1904 11.2305 11.3361 11.3829 11.8106 11.8252 12.3493 12.3764 13.1062 13.1074 k = 0.0000 0.5727 0.4399 ( 4552 PWs) bands (ev): -12.8047 -12.8042 -12.6814 -12.6809 -10.6031 -10.6023 -10.3282 -10.3247 -9.7581 -9.7562 -9.6386 -9.6344 -3.2346 -3.2307 -2.8093 -2.8035 -1.8372 -1.8301 -1.2703 -1.2473 0.2677 0.2886 0.4065 0.4187 0.9925 1.0232 1.0405 1.0669 1.6071 1.6178 1.7758 1.7902 2.6660 2.6671 3.0153 3.0265 3.6990 3.7028 3.7482 3.7525 4.0905 4.0932 4.3882 4.3919 4.8642 4.8654 4.9373 4.9383 11.2051 11.2460 11.3537 11.4024 11.8641 11.8787 12.3536 12.3815 13.0438 13.0488 k = 0.0000 0.5727 0.4568 ( 4542 PWs) bands (ev): -12.7938 -12.7934 -12.6875 -12.6871 -10.5602 -10.5592 -10.3034 -10.2999 -9.8090 -9.8071 -9.6862 -9.6820 -3.1924 -3.1885 -2.8123 -2.8082 -1.8301 -1.8210 -1.3290 -1.3065 0.3365 0.3590 0.4574 0.4664 1.0121 1.0482 1.0717 1.0985 1.5848 1.5941 1.7138 1.7286 2.6721 2.6736 2.9755 2.9862 3.6926 3.6967 3.7399 3.7444 4.1125 4.1155 4.3678 4.3715 4.8716 4.8726 4.9315 4.9324 11.2219 11.2636 11.3671 11.4172 11.9239 11.9383 12.3662 12.3940 12.9750 12.9843 k = 0.0000 0.5727 0.4737 ( 4544 PWs) bands (ev): -12.7832 -12.7827 -12.6941 -12.6937 -10.5164 -10.5153 -10.2814 -10.2780 -9.8550 -9.8530 -9.7322 -9.7280 -3.1504 -3.1464 -2.8219 -2.8194 -1.8159 -1.8047 -1.3871 -1.3651 0.3986 0.4220 0.5003 0.5053 1.0380 1.0766 1.1111 1.1351 1.5579 1.5660 1.6505 1.6655 2.6806 2.6825 2.9359 2.9460 3.6882 3.6924 3.7314 3.7359 4.1345 4.1377 4.3471 4.3508 4.8782 4.8791 4.9261 4.9269 11.2403 11.2829 11.3753 11.4263 11.9894 12.0035 12.3869 12.4134 12.9016 12.9155 k = 0.0000 0.5727 0.4906 ( 4548 PWs) bands (ev): -12.7727 -12.7722 -12.7012 -12.7007 -10.4722 -10.4710 -10.2648 -10.2614 -9.8936 -9.8915 -9.7762 -9.7721 -3.1086 -3.1048 -2.8376 -2.8366 -1.7945 -1.7815 -1.4441 -1.4226 0.4523 0.4756 0.5345 0.5352 1.0714 1.1108 1.1560 1.1756 1.5256 1.5331 1.5877 1.6019 2.6917 2.6943 2.8974 2.9068 3.6858 3.6901 3.7228 3.7274 4.1564 4.1597 4.3262 4.3300 4.8842 4.8849 4.9212 4.9218 11.2600 11.3035 11.3779 11.4291 12.0599 12.0736 12.4136 12.4373 12.8274 12.8464 k = 0.0000 0.5727 0.5075 ( 4544 PWs) bands (ev): -12.7625 -12.7620 -12.7087 -12.7082 -10.4281 -10.4269 -10.2568 -10.2537 -9.9212 -9.9189 -9.8177 -9.8136 -3.0675 -3.0638 -2.8592 -2.8590 -1.7667 -1.7519 -1.4994 -1.4785 0.4962 0.5186 0.5561 0.5599 1.1126 1.1517 1.2042 1.2181 1.4857 1.4946 1.5291 1.5397 2.7059 2.7091 2.8609 2.8694 3.6852 3.6897 3.7145 3.7191 4.1781 4.1815 4.3053 4.3091 4.8896 4.8902 4.9165 4.9170 11.2803 11.3249 11.3749 11.4257 12.1346 12.1477 12.4400 12.4586 12.7604 12.7854 k = 0.0000 0.5727 0.5245 ( 4538 PWs) bands (ev): -12.7527 -12.7522 -12.7167 -12.7162 -10.3850 -10.3836 -10.2611 -10.2584 -9.9343 -9.9316 -9.8557 -9.8517 -3.0274 -3.0239 -2.8865 -2.8853 -1.7329 -1.7167 -1.5526 -1.5324 0.5299 0.5504 0.5683 0.5763 1.1609 1.1986 1.2525 1.2586 1.4376 1.4497 1.4793 1.4824 2.7232 2.7272 2.8268 2.8344 3.6865 3.6911 3.7067 3.7114 4.1996 4.2031 4.2843 4.2881 4.8946 4.8950 4.9122 4.9125 11.3007 11.3464 11.3668 11.4169 12.2120 12.2242 12.4500 12.4622 12.7171 12.7487 k = 0.0000 0.5727 0.5414 ( 4538 PWs) bands (ev): -12.7431 -12.7426 -12.7251 -12.7246 -10.3442 -10.3425 -10.2788 -10.2765 -9.9316 -9.9285 -9.8889 -9.8852 -2.9887 -2.9856 -2.9177 -2.9156 -1.6939 -1.6764 -1.6031 -1.5837 0.5534 0.5714 0.5721 0.5839 1.2136 1.2490 1.2835 1.2928 1.3981 1.4047 1.4331 1.4367 2.7439 2.7487 2.7958 2.8024 3.6895 3.6941 3.6998 3.7044 4.2210 4.2246 4.2633 4.2670 4.8993 4.8995 4.9080 4.9081 11.3204 11.3544 11.3672 11.4035 12.2899 12.3008 12.4232 12.4320 12.7182 12.7525 k = 0.0000 0.5727 0.5583 ( 4536 PWs) bands (ev): -12.7339 -12.7339 -12.7334 -12.7334 -10.3077 -10.3077 -10.3058 -10.3058 -9.9153 -9.9153 -9.9118 -9.9118 -2.9520 -2.9520 -2.9493 -2.9493 -1.6504 -1.6504 -1.6319 -1.6319 0.5673 0.5673 0.5824 0.5824 1.2630 1.2630 1.2928 1.2928 1.3965 1.3965 1.4022 1.4022 2.7681 2.7681 2.7738 2.7738 3.6939 3.6939 3.6986 3.6986 4.2422 4.2422 4.2459 4.2459 4.9037 4.9037 4.9038 4.9038 11.3386 11.3386 11.3866 11.3866 12.3637 12.3637 12.3731 12.3731 12.7591 12.7591 k = 0.0000 0.5727 0.5583 ( 4536 PWs) bands (ev): -12.7339 -12.7339 -12.7334 -12.7334 -10.3077 -10.3077 -10.3058 -10.3058 -9.9153 -9.9153 -9.9118 -9.9118 -2.9520 -2.9520 -2.9493 -2.9493 -1.6504 -1.6504 -1.6319 -1.6319 0.5673 0.5673 0.5824 0.5824 1.2630 1.2630 1.2928 1.2928 1.3965 1.3965 1.4022 1.4022 2.7681 2.7681 2.7738 2.7738 3.6939 3.6939 3.6986 3.6986 4.2422 4.2422 4.2459 4.2459 4.9037 4.9037 4.9038 4.9038 11.3386 11.3386 11.3866 11.3866 12.3637 12.3637 12.3731 12.3731 12.7591 12.7591 k = 0.0168 0.5727 0.5583 ( 4536 PWs) bands (ev): -12.7336 -12.7336 -12.7331 -12.7331 -10.3101 -10.3101 -10.3081 -10.3081 -9.9133 -9.9133 -9.9098 -9.9098 -2.9501 -2.9501 -2.9473 -2.9473 -1.6529 -1.6529 -1.6344 -1.6344 0.5683 0.5683 0.5834 0.5834 1.2573 1.2573 1.2912 1.2912 1.3930 1.3930 1.4136 1.4136 2.7669 2.7669 2.7727 2.7727 3.6957 3.6957 3.7005 3.7005 4.2422 4.2422 4.2459 4.2459 4.9017 4.9017 4.9021 4.9021 11.3385 11.3385 11.3863 11.3863 12.3624 12.3624 12.3724 12.3724 12.7594 12.7594 k = 0.0336 0.5727 0.5583 ( 4538 PWs) bands (ev): -12.7328 -12.7328 -12.7323 -12.7323 -10.3172 -10.3172 -10.3148 -10.3148 -9.9076 -9.9076 -9.9039 -9.9039 -2.9446 -2.9446 -2.9413 -2.9413 -1.6604 -1.6604 -1.6419 -1.6419 0.5715 0.5715 0.5866 0.5866 1.2438 1.2438 1.2840 1.2840 1.3974 1.3974 1.4318 1.4318 2.7636 2.7636 2.7694 2.7694 3.7011 3.7011 3.7060 3.7060 4.2422 4.2422 4.2461 4.2461 4.8959 4.8959 4.8967 4.8967 11.3381 11.3381 11.3853 11.3853 12.3586 12.3586 12.3703 12.3703 12.7601 12.7601 k = 0.0504 0.5727 0.5583 ( 4542 PWs) bands (ev): -12.7315 -12.7315 -12.7309 -12.7309 -10.3285 -10.3285 -10.3257 -10.3257 -9.8986 -9.8986 -9.8947 -9.8947 -2.9353 -2.9353 -2.9314 -2.9314 -1.6727 -1.6727 -1.6544 -1.6544 0.5768 0.5768 0.5919 0.5919 1.2268 1.2268 1.2707 1.2707 1.4099 1.4099 1.4526 1.4526 2.7581 2.7581 2.7640 2.7640 3.7099 3.7099 3.7151 3.7151 4.2422 4.2422 4.2464 4.2464 4.8866 4.8866 4.8877 4.8877 11.3374 11.3374 11.3838 11.3838 12.3530 12.3530 12.3669 12.3669 12.7606 12.7606 k = 0.0672 0.5727 0.5583 ( 4546 PWs) bands (ev): -12.7296 -12.7296 -12.7290 -12.7290 -10.3433 -10.3433 -10.3401 -10.3401 -9.8867 -9.8867 -9.8826 -9.8826 -2.9223 -2.9223 -2.9178 -2.9178 -1.6898 -1.6898 -1.6717 -1.6717 0.5840 0.5840 0.5991 0.5991 1.2084 1.2084 1.2537 1.2537 1.4271 1.4271 1.4747 1.4747 2.7507 2.7507 2.7569 2.7569 3.7218 3.7218 3.7273 3.7273 4.2423 4.2423 4.2468 4.2468 4.8736 4.8736 4.8752 4.8752 11.3368 11.3368 11.3819 11.3819 12.3466 12.3466 12.3625 12.3625 12.7601 12.7601 k = 0.0840 0.5727 0.5583 ( 4544 PWs) bands (ev): -12.7272 -12.7272 -12.7266 -12.7266 -10.3610 -10.3610 -10.3574 -10.3574 -9.8725 -9.8725 -9.8682 -9.8682 -2.9058 -2.9058 -2.9005 -2.9005 -1.7115 -1.7115 -1.6936 -1.6936 0.5930 0.5930 0.6082 0.6082 1.1896 1.1896 1.2350 1.2350 1.4469 1.4469 1.4975 1.4975 2.7418 2.7418 2.7481 2.7481 3.7365 3.7365 3.7424 3.7424 4.2425 4.2425 4.2475 4.2475 4.8574 4.8574 4.8593 4.8593 11.3361 11.3361 11.3797 11.3797 12.3399 12.3399 12.3578 12.3578 12.7578 12.7578 k = 0.1008 0.5727 0.5583 ( 4542 PWs) bands (ev): -12.7244 -12.7244 -12.7237 -12.7237 -10.3810 -10.3810 -10.3771 -10.3771 -9.8565 -9.8565 -9.8521 -9.8521 -2.8857 -2.8857 -2.8796 -2.8796 -1.7375 -1.7375 -1.7198 -1.7198 0.6038 0.6038 0.6190 0.6190 1.1707 1.1707 1.2156 1.2156 1.4679 1.4679 1.5205 1.5205 2.7315 2.7315 2.7381 2.7381 3.7535 3.7535 3.7598 3.7598 4.2430 4.2430 4.2484 4.2484 4.8379 4.8379 4.8402 4.8402 11.3358 11.3358 11.3775 11.3775 12.3336 12.3336 12.3532 12.3532 12.7531 12.7531 k = 0.1176 0.5727 0.5583 ( 4542 PWs) bands (ev): -12.7211 -12.7211 -12.7204 -12.7204 -10.4027 -10.4027 -10.3987 -10.3987 -9.8392 -9.8392 -9.8348 -9.8348 -2.8623 -2.8623 -2.8553 -2.8553 -1.7675 -1.7675 -1.7501 -1.7501 0.6160 0.6160 0.6313 0.6313 1.1520 1.1520 1.1959 1.1959 1.4895 1.4895 1.5435 1.5435 2.7203 2.7203 2.7271 2.7271 3.7725 3.7725 3.7791 3.7791 4.2440 4.2440 4.2499 4.2499 4.8155 4.8155 4.8182 4.8182 11.3359 11.3359 11.3755 11.3755 12.3283 12.3283 12.3493 12.3493 12.7455 12.7455 k = 0.1345 0.5727 0.5583 ( 4544 PWs) bands (ev): -12.7174 -12.7174 -12.7167 -12.7167 -10.4258 -10.4258 -10.4216 -10.4216 -9.8210 -9.8210 -9.8165 -9.8165 -2.8356 -2.8356 -2.8279 -2.8279 -1.8013 -1.8013 -1.7841 -1.7841 0.6297 0.6297 0.6450 0.6450 1.1336 1.1336 1.1763 1.1763 1.5112 1.5112 1.5662 1.5662 2.7085 2.7085 2.7155 2.7155 3.7928 3.7928 3.7996 3.7996 4.2455 4.2455 4.2519 4.2519 4.7903 4.7903 4.7934 4.7934 11.3366 11.3366 11.3739 11.3739 12.3242 12.3242 12.3464 12.3464 12.7349 12.7349 k = 0.1513 0.5727 0.5583 ( 4544 PWs) bands (ev): -12.7134 -12.7134 -12.7127 -12.7127 -10.4498 -10.4498 -10.4454 -10.4454 -9.8022 -9.8022 -9.7976 -9.7976 -2.8061 -2.8061 -2.7974 -2.7974 -1.8384 -1.8384 -1.8214 -1.8214 0.6444 0.6444 0.6599 0.6599 1.1156 1.1156 1.1570 1.1570 1.5327 1.5327 1.5884 1.5884 2.6965 2.6965 2.7036 2.7036 3.8138 3.8138 3.8209 3.8209 4.2479 4.2479 4.2548 4.2548 4.7628 4.7628 4.7663 4.7663 11.3382 11.3382 11.3728 11.3728 12.3217 12.3217 12.3449 12.3449 12.7213 12.7213 k = 0.1681 0.5727 0.5583 ( 4548 PWs) bands (ev): -12.7091 -12.7091 -12.7083 -12.7083 -10.4743 -10.4743 -10.4699 -10.4699 -9.7830 -9.7830 -9.7784 -9.7784 -2.7738 -2.7738 -2.7643 -2.7643 -1.8786 -1.8786 -1.8617 -1.8617 0.6602 0.6602 0.6757 0.6757 1.0982 1.0982 1.1381 1.1381 1.5535 1.5535 1.6098 1.6098 2.6844 2.6844 2.6917 2.6917 3.8350 3.8350 3.8421 3.8421 4.2515 4.2515 4.2588 4.2588 4.7332 4.7332 4.7371 4.7371 11.3407 11.3407 11.3726 11.3726 12.3208 12.3208 12.3450 12.3450 12.7048 12.7048 k = 0.1849 0.5727 0.5583 ( 4558 PWs) bands (ev): -12.7045 -12.7045 -12.7038 -12.7038 -10.4992 -10.4992 -10.4947 -10.4947 -9.7635 -9.7635 -9.7590 -9.7590 -2.7393 -2.7393 -2.7289 -2.7289 -1.9212 -1.9212 -1.9045 -1.9045 0.6768 0.6768 0.6924 0.6924 1.0813 1.0813 1.1196 1.1196 1.5736 1.5736 1.6303 1.6303 2.6727 2.6727 2.6801 2.6801 3.8556 3.8556 3.8627 3.8627 4.2566 4.2566 4.2643 4.2643 4.7019 4.7019 4.7062 4.7062 11.3443 11.3443 11.3733 11.3733 12.3217 12.3217 12.3468 12.3468 12.6859 12.6859 k = 0.2017 0.5727 0.5583 ( 4564 PWs) bands (ev): -12.6998 -12.6998 -12.6990 -12.6990 -10.5240 -10.5240 -10.5195 -10.5195 -9.7440 -9.7440 -9.7395 -9.7395 -2.7031 -2.7031 -2.6917 -2.6917 -1.9657 -1.9657 -1.9491 -1.9491 0.6940 0.6940 0.7097 0.7097 1.0650 1.0650 1.1018 1.1018 1.5925 1.5925 1.6495 1.6495 2.6616 2.6616 2.6692 2.6692 3.8748 3.8748 3.8820 3.8820 4.2636 4.2636 4.2716 4.2716 4.6693 4.6693 4.6739 4.6739 11.3490 11.3490 11.3749 11.3749 12.3242 12.3242 12.3503 12.3503 12.6648 12.6648 k = 0.2185 0.5727 0.5583 ( 4564 PWs) bands (ev): -12.6950 -12.6950 -12.6942 -12.6942 -10.5487 -10.5487 -10.5441 -10.5441 -9.7245 -9.7245 -9.7200 -9.7200 -2.6658 -2.6658 -2.6535 -2.6535 -2.0113 -2.0113 -1.9947 -1.9947 0.7117 0.7117 0.7274 0.7274 1.0494 1.0494 1.0845 1.0845 1.6101 1.6101 1.6673 1.6673 2.6515 2.6515 2.6592 2.6592 3.8921 3.8921 3.8991 3.8991 4.2729 4.2729 4.2811 4.2811 4.6358 4.6358 4.6408 4.6408 11.3548 11.3548 11.3777 11.3777 12.3285 12.3285 12.3556 12.3556 12.6419 12.6419 k = 0.2353 0.5727 0.5583 ( 4562 PWs) bands (ev): -12.6902 -12.6902 -12.6894 -12.6894 -10.5729 -10.5729 -10.5684 -10.5684 -9.7051 -9.7051 -9.7006 -9.7006 -2.6285 -2.6285 -2.6154 -2.6154 -2.0567 -2.0567 -2.0402 -2.0402 0.7296 0.7296 0.7451 0.7451 1.0346 1.0346 1.0681 1.0681 1.6261 1.6261 1.6834 1.6834 2.6425 2.6425 2.6503 2.6503 3.9068 3.9068 3.9135 3.9135 4.2849 4.2849 4.2932 4.2932 4.6019 4.6019 4.6072 4.6072 11.3616 11.3616 11.3814 11.3814 12.3342 12.3342 12.3627 12.3627 12.6177 12.6177 k = 0.2521 0.5727 0.5583 ( 4558 PWs) bands (ev): -12.6854 -12.6854 -12.6846 -12.6846 -10.5965 -10.5965 -10.5920 -10.5920 -9.6858 -9.6858 -9.6813 -9.6813 -2.5931 -2.5931 -2.5794 -2.5794 -2.1001 -2.1001 -2.0837 -2.0837 0.7476 0.7476 0.7627 0.7627 1.0208 1.0208 1.0527 1.0527 1.6401 1.6401 1.6974 1.6974 2.6349 2.6349 2.6428 2.6428 3.9184 3.9184 3.9248 3.9248 4.2997 4.2997 4.3080 4.3080 4.5680 4.5680 4.5736 4.5736 11.3694 11.3694 11.3860 11.3860 12.3412 12.3412 12.3714 12.3714 12.5928 12.5928 k = 0.2689 0.5727 0.5583 ( 4550 PWs) bands (ev): -12.6808 -12.6808 -12.6800 -12.6800 -10.6193 -10.6193 -10.6148 -10.6148 -9.6667 -9.6667 -9.6623 -9.6623 -2.5623 -2.5623 -2.5484 -2.5484 -2.1384 -2.1384 -2.1224 -2.1224 0.7654 0.7654 0.7796 0.7796 1.0084 1.0084 1.0387 1.0387 1.6519 1.6519 1.7091 1.7091 2.6291 2.6291 2.6370 2.6370 3.9266 3.9266 3.9325 3.9325 4.3173 4.3173 4.3254 4.3254 4.5347 4.5347 4.5406 4.5406 11.3779 11.3779 11.3914 11.3914 12.3493 12.3493 12.3816 12.3816 12.5676 12.5676 k = 0.2857 0.5727 0.5583 ( 4554 PWs) bands (ev): -12.6764 -12.6764 -12.6757 -12.6757 -10.6411 -10.6411 -10.6367 -10.6367 -9.6478 -9.6478 -9.6435 -9.6435 -2.5408 -2.5408 -2.5277 -2.5277 -2.1665 -2.1665 -2.1518 -2.1518 0.7823 0.7823 0.7952 0.7952 0.9979 0.9979 1.0264 1.0264 1.6612 1.6612 1.7182 1.7182 2.6251 2.6251 2.6330 2.6330 3.9313 3.9313 3.9369 3.9369 4.3370 4.3370 4.3449 4.3449 4.5027 4.5027 4.5090 4.5090 11.3867 11.3867 11.3974 11.3974 12.3579 12.3579 12.3929 12.3929 12.5431 12.5431 k = 0.3025 0.5727 0.5583 ( 4556 PWs) bands (ev): -12.6724 -12.6724 -12.6716 -12.6716 -10.6618 -10.6618 -10.6574 -10.6574 -9.6292 -9.6292 -9.6249 -9.6249 -2.5344 -2.5344 -2.5234 -2.5234 -2.1781 -2.1781 -2.1658 -2.1658 0.7977 0.7977 0.8085 0.8085 0.9899 0.9899 1.0167 1.0167 1.6676 1.6676 1.7244 1.7244 2.6232 2.6232 2.6312 2.6312 3.9327 3.9327 3.9380 3.9380 4.3575 4.3575 4.3649 4.3649 4.4737 4.4737 4.4802 4.4802 11.3955 11.3955 11.4037 11.4037 12.3662 12.3662 12.4044 12.4044 12.5204 12.5204 k = 0.3193 0.5727 0.5583 ( 4552 PWs) bands (ev): -12.6688 -12.6688 -12.6680 -12.6680 -10.6811 -10.6811 -10.6768 -10.6768 -9.6108 -9.6108 -9.6066 -9.6066 -2.5475 -2.5475 -2.5390 -2.5390 -2.1700 -2.1700 -2.1602 -2.1602 0.8104 0.8104 0.8186 0.8186 0.9857 0.9857 1.0108 1.0108 1.6711 1.6711 1.7275 1.7275 2.6237 2.6237 2.6316 2.6316 3.9311 3.9311 3.9361 3.9361 4.3741 4.3741 4.3803 4.3803 4.4526 4.4526 4.4589 4.4589 11.4038 11.4038 11.4103 11.4103 12.3725 12.3725 12.4143 12.4143 12.5019 12.5019 k = 0.3361 0.5727 0.5583 ( 4550 PWs) bands (ev): -12.6657 -12.6657 -12.6649 -12.6649 -10.6989 -10.6989 -10.6947 -10.6947 -9.5927 -9.5927 -9.5885 -9.5885 -2.5791 -2.5791 -2.5720 -2.5720 -2.1448 -2.1448 -2.1358 -2.1358 0.8183 0.8183 0.8249 0.8249 0.9861 0.9861 1.0099 1.0099 1.6713 1.6713 1.7272 1.7272 2.6266 2.6266 2.6345 2.6345 3.9269 3.9269 3.9318 3.9318 4.3747 4.3747 4.3795 4.3795 4.4508 4.4508 4.4567 4.4567 11.4107 11.4107 11.4170 11.4170 12.3741 12.3741 12.4176 12.4176 12.4910 12.4910 k = 0.3361 0.5727 0.5583 ( 4550 PWs) bands (ev): -12.6657 -12.6657 -12.6649 -12.6649 -10.6989 -10.6989 -10.6947 -10.6947 -9.5927 -9.5927 -9.5885 -9.5885 -2.5791 -2.5791 -2.5720 -2.5720 -2.1448 -2.1448 -2.1358 -2.1358 0.8183 0.8183 0.8249 0.8249 0.9861 0.9861 1.0099 1.0099 1.6713 1.6713 1.7272 1.7272 2.6266 2.6266 2.6345 2.6345 3.9269 3.9269 3.9318 3.9318 4.3747 4.3747 4.3795 4.3795 4.4508 4.4508 4.4567 4.4567 11.4107 11.4107 11.4170 11.4170 12.3741 12.3741 12.4176 12.4176 12.4910 12.4910 k = 0.3275 0.5580 0.5583 ( 4562 PWs) bands (ev): -12.6715 -12.6715 -12.6707 -12.6707 -10.6640 -10.6640 -10.6596 -10.6596 -9.6287 -9.6287 -9.6245 -9.6245 -2.4995 -2.4995 -2.4914 -2.4914 -2.2100 -2.2100 -2.2013 -2.2013 0.8081 0.8081 0.8148 0.8148 0.9798 0.9798 1.0054 1.0054 1.6744 1.6744 1.7312 1.7312 2.6192 2.6192 2.6270 2.6270 3.9368 3.9368 3.9419 3.9419 4.3964 4.3964 4.4021 4.4021 4.4313 4.4313 4.4365 4.4365 11.3959 11.3959 11.4013 11.4013 12.3782 12.3782 12.4221 12.4221 12.5066 12.5066 k = 0.3189 0.5433 0.5583 ( 4566 PWs) bands (ev): -12.6776 -12.6776 -12.6768 -12.6768 -10.6275 -10.6275 -10.6230 -10.6230 -9.6648 -9.6648 -9.6605 -9.6605 -2.4190 -2.4190 -2.4096 -2.4096 -2.2767 -2.2767 -2.2687 -2.2687 0.7962 0.7962 0.8028 0.8028 0.9732 0.9732 1.0005 1.0005 1.6780 1.6780 1.7354 1.7354 2.6138 2.6138 2.6215 2.6215 3.9451 3.9451 3.9503 3.9503 4.4074 4.4074 4.4171 4.4171 4.4250 4.4250 4.4262 4.4262 11.3767 11.3767 11.3810 11.3810 12.3821 12.3821 12.4261 12.4261 12.5287 12.5287 k = 0.3103 0.5286 0.5583 ( 4554 PWs) bands (ev): -12.6839 -12.6839 -12.6831 -12.6831 -10.5896 -10.5896 -10.5848 -10.5848 -9.7008 -9.7008 -9.6965 -9.6965 -2.3572 -2.3572 -2.3442 -2.3442 -2.3255 -2.3255 -2.3205 -2.3205 0.7825 0.7825 0.7888 0.7888 0.9661 0.9661 0.9953 0.9953 1.6823 1.6823 1.7399 1.7399 2.6105 2.6105 2.6180 2.6180 3.9518 3.9518 3.9572 3.9572 4.3924 4.3924 4.3997 4.3997 4.4472 4.4472 4.4510 4.4510 11.3535 11.3535 11.3570 11.3570 12.3847 12.3847 12.4288 12.4288 12.5570 12.5570 k = 0.3017 0.5139 0.5583 ( 4554 PWs) bands (ev): -12.6906 -12.6906 -12.6897 -12.6897 -10.5502 -10.5502 -10.5453 -10.5453 -9.7366 -9.7366 -9.7323 -9.7323 -2.4199 -2.4199 -2.4110 -2.4110 -2.2509 -2.2509 -2.2410 -2.2410 0.7667 0.7667 0.7727 0.7727 0.9586 0.9586 0.9896 0.9896 1.6874 1.6874 1.7448 1.7448 2.6095 2.6095 2.6168 2.6168 3.9568 3.9568 3.9624 3.9624 4.3768 4.3768 4.3835 4.3835 4.4725 4.4725 4.4768 4.4768 11.3272 11.3272 11.3300 11.3300 12.3849 12.3849 12.4293 12.4293 12.5907 12.5907 k = 0.2930 0.4992 0.5583 ( 4562 PWs) bands (ev): -12.6974 -12.6974 -12.6965 -12.6965 -10.5094 -10.5094 -10.5044 -10.5044 -9.7720 -9.7720 -9.7677 -9.7677 -2.4920 -2.4920 -2.4838 -2.4838 -2.1679 -2.1679 -2.1566 -2.1566 0.7488 0.7488 0.7544 0.7544 0.9507 0.9507 0.9834 0.9834 1.6934 1.6934 1.7505 1.7505 2.6108 2.6108 2.6179 2.6179 3.9604 3.9604 3.9661 3.9661 4.3626 4.3626 4.3689 4.3689 4.4987 4.4987 4.5033 4.5033 11.2986 11.2986 11.3006 11.3006 12.3820 12.3820 12.4268 12.4268 12.6291 12.6291 k = 0.2844 0.4846 0.5583 ( 4568 PWs) bands (ev): -12.7045 -12.7045 -12.7036 -12.7036 -10.4673 -10.4673 -10.4621 -10.4621 -9.8070 -9.8070 -9.8028 -9.8028 -2.5659 -2.5659 -2.5583 -2.5583 -2.0844 -2.0844 -2.0718 -2.0718 0.7288 0.7288 0.7339 0.7339 0.9424 0.9424 0.9769 0.9769 1.7005 1.7005 1.7568 1.7568 2.6146 2.6146 2.6215 2.6215 3.9625 3.9625 3.9684 3.9684 4.3500 4.3500 4.3561 4.3561 4.5255 4.5255 4.5304 4.5304 11.2683 11.2683 11.2698 11.2698 12.3753 12.3753 12.4205 12.4205 12.6711 12.6711 k = 0.2758 0.4699 0.5583 ( 4564 PWs) bands (ev): -12.7118 -12.7118 -12.7109 -12.7109 -10.4240 -10.4240 -10.4186 -10.4186 -9.8415 -9.8415 -9.8373 -9.8373 -2.6412 -2.6412 -2.6341 -2.6341 -2.0007 -2.0007 -1.9869 -1.9869 0.7067 0.7067 0.7111 0.7111 0.9337 0.9337 0.9699 0.9699 1.7086 1.7086 1.7641 1.7641 2.6208 2.6208 2.6275 2.6275 3.9633 3.9633 3.9693 3.9693 4.3392 4.3392 4.3449 4.3449 4.5526 4.5526 4.5578 4.5578 11.2371 11.2371 11.2381 11.2381 12.3642 12.3642 12.4098 12.4098 12.7158 12.7158 k = 0.2672 0.4552 0.5583 ( 4562 PWs) bands (ev): -12.7193 -12.7193 -12.7184 -12.7184 -10.3794 -10.3794 -10.3740 -10.3740 -9.8753 -9.8753 -9.8712 -9.8712 -2.7178 -2.7178 -2.7112 -2.7112 -1.9173 -1.9173 -1.9022 -1.9022 0.6826 0.6826 0.6862 0.6862 0.9246 0.9246 0.9625 0.9625 1.7180 1.7180 1.7722 1.7722 2.6296 2.6296 2.6360 2.6360 3.9628 3.9628 3.9690 3.9690 4.3301 4.3301 4.3355 4.3355 4.5799 4.5799 4.5853 4.5853 11.2056 11.2056 11.2062 11.2062 12.3486 12.3486 12.3944 12.3944 12.7623 12.7623 k = 0.2586 0.4405 0.5583 ( 4554 PWs) bands (ev): -12.7270 -12.7270 -12.7260 -12.7260 -10.3338 -10.3338 -10.3282 -10.3282 -9.9084 -9.9084 -9.9043 -9.9043 -2.7954 -2.7954 -2.7893 -2.7893 -1.8344 -1.8344 -1.8180 -1.8180 0.6564 0.6564 0.6593 0.6593 0.9151 0.9151 0.9547 0.9547 1.7285 1.7285 1.7814 1.7814 2.6408 2.6408 2.6470 2.6470 3.9612 3.9612 3.9676 3.9676 4.3228 4.3228 4.3278 4.3278 4.6071 4.6071 4.6129 4.6129 11.1742 11.1742 11.1744 11.1744 12.3281 12.3281 12.3739 12.3739 12.8096 12.8096 k = 0.2499 0.4258 0.5583 ( 4556 PWs) bands (ev): -12.7348 -12.7348 -12.7338 -12.7338 -10.2871 -10.2871 -10.2814 -10.2814 -9.9406 -9.9406 -9.9367 -9.9367 -2.8739 -2.8739 -2.8682 -2.8682 -1.7523 -1.7523 -1.7346 -1.7346 0.6284 0.6284 0.6305 0.6305 0.9053 0.9053 0.9465 0.9465 1.7401 1.7401 1.7915 1.7915 2.6545 2.6545 2.6604 2.6604 3.9587 3.9587 3.9652 3.9652 4.3172 4.3172 4.3218 4.3218 4.6341 4.6341 4.6401 4.6401 11.1433 11.1433 11.1434 11.1434 12.3029 12.3029 12.3486 12.3486 12.8568 12.8568 k = 0.2413 0.4111 0.5583 ( 4556 PWs) bands (ev): -12.7428 -12.7428 -12.7418 -12.7418 -10.2395 -10.2395 -10.2337 -10.2337 -9.9721 -9.9721 -9.9682 -9.9682 -2.9531 -2.9531 -2.9480 -2.9480 -1.6712 -1.6712 -1.6521 -1.6521 0.5988 0.5988 0.6000 0.6000 0.8953 0.8953 0.9380 0.9380 1.7528 1.7528 1.8026 1.8026 2.6704 2.6704 2.6761 2.6761 3.9553 3.9553 3.9620 3.9620 4.3133 4.3133 4.3174 4.3174 4.6608 4.6608 4.6671 4.6671 11.1131 11.1131 11.1135 11.1135 12.2731 12.2731 12.3185 12.3185 12.9027 12.9027 k = 0.2327 0.3965 0.5583 ( 4548 PWs) bands (ev): -12.7508 -12.7508 -12.7498 -12.7498 -10.1911 -10.1911 -10.1851 -10.1851 -10.0025 -10.0025 -9.9988 -9.9988 -3.0329 -3.0329 -3.0282 -3.0282 -1.5912 -1.5912 -1.5707 -1.5707 0.5676 0.5676 0.5681 0.5681 0.8850 0.8850 0.9292 0.9292 1.7666 1.7666 1.8147 1.8147 2.6886 2.6886 2.6940 2.6940 3.9512 3.9512 3.9581 3.9581 4.3109 4.3109 4.3146 4.3146 4.6869 4.6869 4.6935 4.6935 11.0841 11.0841 11.0848 11.0848 12.2392 12.2392 12.2841 12.2841 12.9464 12.9464 k = 0.2241 0.3818 0.5583 ( 4556 PWs) bands (ev): -12.7590 -12.7590 -12.7580 -12.7580 -10.1420 -10.1420 -10.1359 -10.1359 -10.0319 -10.0319 -10.0285 -10.0285 -3.1131 -3.1131 -3.1089 -3.1089 -1.5127 -1.5127 -1.4908 -1.4908 0.5349 0.5349 0.5352 0.5352 0.8746 0.8746 0.9202 0.9202 1.7813 1.7813 1.8276 1.8276 2.7087 2.7087 2.7139 2.7139 3.9467 3.9467 3.9538 3.9538 4.3100 4.3100 4.3133 4.3133 4.7123 4.7123 4.7192 4.7192 11.0566 11.0566 11.0575 11.0575 12.2016 12.2016 12.2458 12.2458 12.9867 12.9867 k = 0.2155 0.3671 0.5583 ( 4556 PWs) bands (ev): -12.7672 -12.7672 -12.7662 -12.7662 -10.0932 -10.0932 -10.0863 -10.0863 -10.0594 -10.0594 -10.0567 -10.0567 -3.1934 -3.1934 -3.1897 -3.1897 -1.4358 -1.4358 -1.4125 -1.4125 0.5008 0.5008 0.5019 0.5019 0.8642 0.8642 0.9110 0.9110 1.7968 1.7968 1.8413 1.8413 2.7306 2.7306 2.7355 2.7355 3.9419 3.9419 3.9492 3.9492 4.3104 4.3104 4.3133 4.3133 4.7369 4.7369 4.7442 4.7442 11.0305 11.0305 11.0317 11.0317 12.1609 12.1609 12.2042 12.2042 13.0224 13.0224 k = 0.2069 0.3524 0.5583 ( 4556 PWs) bands (ev): -12.7755 -12.7755 -12.7745 -12.7745 -10.0894 -10.0894 -10.0852 -10.0852 -10.0403 -10.0403 -10.0350 -10.0350 -3.2738 -3.2738 -3.2706 -3.2706 -1.3606 -1.3606 -1.3360 -1.3360 0.4660 0.4660 0.4677 0.4677 0.8537 0.8537 0.9017 0.9017 1.8131 1.8131 1.8557 1.8557 2.7539 2.7539 2.7585 2.7585 3.9370 3.9370 3.9446 3.9446 4.3122 4.3122 4.3146 4.3146 4.7607 4.7607 4.7682 4.7682 11.0061 11.0061 11.0074 11.0074 12.1175 12.1175 12.1599 12.1599 13.0523 13.0523 k = 0.1982 0.3377 0.5583 ( 4548 PWs) bands (ev): -12.7837 -12.7837 -12.7827 -12.7827 -10.1152 -10.1152 -10.1116 -10.1116 -9.9901 -9.9901 -9.9844 -9.9844 -3.3540 -3.3540 -3.3513 -3.3513 -1.2874 -1.2874 -1.2614 -1.2614 0.4307 0.4307 0.4331 0.4331 0.8434 0.8434 0.8924 0.8924 1.8300 1.8300 1.8707 1.8707 2.7784 2.7784 2.7826 2.7826 3.9323 3.9323 3.9401 3.9401 4.3151 4.3151 4.3171 4.3171 4.7834 4.7834 4.7912 4.7912 10.9832 10.9832 10.9847 10.9847 12.0721 12.0721 12.1134 12.1134 13.0757 13.0757 k = 0.1896 0.3230 0.5583 ( 4544 PWs) bands (ev): -12.7919 -12.7919 -12.7909 -12.7909 -10.1404 -10.1404 -10.1370 -10.1370 -9.9392 -9.9392 -9.9334 -9.9334 -3.4339 -3.4339 -3.4315 -3.4315 -1.2164 -1.2164 -1.1891 -1.1891 0.3953 0.3953 0.3982 0.3982 0.8333 0.8333 0.8832 0.8832 1.8474 1.8474 1.8862 1.8862 2.8036 2.8036 2.8075 2.8075 3.9280 3.9280 3.9362 3.9362 4.3190 4.3190 4.3207 4.3207 4.8049 4.8049 4.8131 4.8131 10.9618 10.9618 10.9634 10.9634 12.0252 12.0252 12.0653 12.0653 13.0919 13.0919 k = 0.1810 0.3084 0.5583 ( 4544 PWs) bands (ev): -12.8001 -12.8001 -12.7991 -12.7991 -10.1645 -10.1645 -10.1613 -10.1613 -9.8881 -9.8881 -9.8822 -9.8822 -3.5131 -3.5131 -3.5112 -3.5112 -1.1476 -1.1476 -1.1190 -1.1190 0.3599 0.3599 0.3633 0.3633 0.8234 0.8234 0.8741 0.8741 1.8651 1.8651 1.9020 1.9020 2.8292 2.8292 2.8327 2.8327 3.9245 3.9245 3.9331 3.9331 4.3239 4.3239 4.3251 4.3251 4.8253 4.8253 4.8337 4.8337 10.9419 10.9419 10.9436 10.9436 11.9773 11.9773 12.0161 12.0161 13.1009 13.1009 k = 0.1724 0.2937 0.5583 ( 4548 PWs) bands (ev): -12.8081 -12.8081 -12.8071 -12.8071 -10.1875 -10.1875 -10.1845 -10.1845 -9.8370 -9.8370 -9.8312 -9.8312 -3.5915 -3.5915 -3.5900 -3.5900 -1.0812 -1.0812 -1.0515 -1.0515 0.3248 0.3248 0.3286 0.3286 0.8139 0.8139 0.8652 0.8652 1.8831 1.8831 1.9181 1.9181 2.8546 2.8546 2.8578 2.8578 3.9221 3.9221 3.9310 3.9310 4.3295 4.3295 4.3304 4.3304 4.8444 4.8444 4.8531 4.8531 10.9233 10.9233 10.9250 10.9250 11.9288 11.9288 11.9663 11.9663 13.1036 13.1036 k = 0.1638 0.2790 0.5583 ( 4544 PWs) bands (ev): -12.8160 -12.8160 -12.8151 -12.8151 -10.2094 -10.2094 -10.2065 -10.2065 -9.7862 -9.7862 -9.7804 -9.7804 -3.6689 -3.6689 -3.6677 -3.6677 -1.0173 -1.0173 -0.9866 -0.9866 0.2902 0.2902 0.2943 0.2943 0.8049 0.8049 0.8566 0.8566 1.9011 1.9011 1.9343 1.9343 2.8795 2.8795 2.8822 2.8822 3.9210 3.9210 3.9303 3.9303 4.3358 4.3358 4.3363 4.3363 4.8623 4.8623 4.8712 4.8712 10.9057 10.9057 10.9074 10.9074 11.8802 11.8802 11.9163 11.9163 13.1012 13.1012 k = 0.1551 0.2643 0.5583 ( 4552 PWs) bands (ev): -12.8238 -12.8238 -12.8229 -12.8229 -10.2302 -10.2302 -10.2274 -10.2274 -9.7357 -9.7357 -9.7300 -9.7300 -3.7449 -3.7449 -3.7441 -3.7441 -0.9562 -0.9562 -0.9246 -0.9246 0.2563 0.2563 0.2607 0.2607 0.7964 0.7964 0.8483 0.8483 1.9192 1.9192 1.9504 1.9504 2.9034 2.9034 2.9056 2.9056 3.9216 3.9216 3.9313 3.9313 4.3426 4.3426 4.3428 4.3428 4.8787 4.8787 4.8879 4.8879 10.8891 10.8891 10.8908 10.8908 11.8320 11.8320 11.8666 11.8666 13.0955 13.0955 k = 0.1465 0.2496 0.5583 ( 4548 PWs) bands (ev): -12.8313 -12.8313 -12.8304 -12.8304 -10.2497 -10.2497 -10.2471 -10.2471 -9.6858 -9.6858 -9.6802 -9.6802 -3.8194 -3.8194 -3.8189 -3.8189 -0.8978 -0.8978 -0.8654 -0.8654 0.2234 0.2234 0.2280 0.2280 0.7886 0.7886 0.8404 0.8404 1.9370 1.9370 1.9665 1.9665 2.9259 2.9259 2.9275 2.9275 3.9242 3.9242 3.9343 3.9343 4.3498 4.3498 4.3498 4.3498 4.8938 4.8938 4.9031 4.9031 10.8733 10.8733 10.8749 10.8749 11.7844 11.7844 11.8175 11.8175 13.0881 13.0881 k = 0.1379 0.2349 0.5583 ( 4548 PWs) bands (ev): -12.8387 -12.8387 -12.8378 -12.8378 -10.2681 -10.2681 -10.2657 -10.2657 -9.6368 -9.6368 -9.6313 -9.6313 -3.8920 -3.8920 -3.8919 -3.8919 -0.8422 -0.8422 -0.8093 -0.8093 0.1915 0.1915 0.1963 0.1963 0.7815 0.7815 0.8330 0.8330 1.9547 1.9547 1.9822 1.9822 2.9464 2.9464 2.9475 2.9475 3.9289 3.9289 3.9394 3.9394 4.3571 4.3571 4.3574 4.3574 4.9074 4.9074 4.9170 4.9170 10.8579 10.8579 10.8594 10.8594 11.7379 11.7379 11.7694 11.7694 13.0809 13.0809 k = 0.1293 0.2203 0.5583 ( 4560 PWs) bands (ev): -12.8458 -12.8458 -12.8449 -12.8449 -10.2854 -10.2854 -10.2831 -10.2831 -9.5888 -9.5888 -9.5835 -9.5835 -3.9626 -3.9626 -3.9625 -3.9625 -0.7896 -0.7896 -0.7564 -0.7564 0.1608 0.1608 0.1658 0.1658 0.7751 0.7751 0.8261 0.8261 1.9719 1.9719 1.9976 1.9976 2.9647 2.9647 2.9653 2.9653 3.9360 3.9360 3.9468 3.9468 4.3646 4.3646 4.3651 4.3651 4.9197 4.9197 4.9293 4.9293 10.8430 10.8430 10.8443 10.8443 11.6927 11.6927 11.7226 11.7226 13.0752 13.0752 k = 0.1207 0.2056 0.5583 ( 4584 PWs) bands (ev): -12.8525 -12.8525 -12.8517 -12.8517 -10.3015 -10.3015 -10.2993 -10.2993 -9.5421 -9.5421 -9.5369 -9.5369 -4.0309 -4.0309 -4.0306 -4.0306 -0.7401 -0.7401 -0.7068 -0.7068 0.1316 0.1316 0.1366 0.1366 0.7696 0.7696 0.8196 0.8196 1.9886 1.9886 2.0126 2.0126 2.9805 2.9805 2.9807 2.9807 3.9454 3.9454 3.9565 3.9565 4.3722 4.3722 4.3728 4.3728 4.9306 4.9306 4.9402 4.9402 10.8282 10.8282 10.8294 10.8294 11.6492 11.6492 11.6774 11.6774 13.0723 13.0723 k = 0.1120 0.1909 0.5583 ( 4580 PWs) bands (ev): -12.8590 -12.8590 -12.8582 -12.8582 -10.3164 -10.3164 -10.3144 -10.3144 -9.4970 -9.4970 -9.4920 -9.4920 -4.0964 -4.0964 -4.0959 -4.0959 -0.6937 -0.6937 -0.6606 -0.6606 0.1039 0.1039 0.1089 0.1089 0.7650 0.7650 0.8137 0.8137 2.0047 2.0047 2.0269 2.0269 2.9934 2.9934 2.9938 2.9938 3.9572 3.9572 3.9684 3.9684 4.3798 4.3798 4.3806 4.3806 4.9401 4.9401 4.9498 4.9498 10.8136 10.8136 10.8146 10.8146 11.6076 11.6076 11.6341 11.6341 13.0730 13.0730 k = 0.1034 0.1762 0.5583 ( 4580 PWs) bands (ev): -12.8651 -12.8651 -12.8644 -12.8644 -10.3302 -10.3302 -10.3283 -10.3283 -9.4536 -9.4536 -9.4488 -9.4488 -4.1589 -4.1589 -4.1582 -4.1582 -0.6504 -0.6504 -0.6178 -0.6178 0.0778 0.0778 0.0829 0.0829 0.7612 0.7612 0.8083 0.8083 2.0201 2.0201 2.0406 2.0406 3.0036 3.0036 3.0044 3.0044 3.9711 3.9711 3.9824 3.9824 4.3872 4.3872 4.3881 4.3881 4.9484 4.9484 4.9579 4.9579 10.7992 10.7992 10.8000 10.8000 11.5682 11.5682 11.5928 11.5928 13.0778 13.0778 k = 0.0948 0.1615 0.5583 ( 4576 PWs) bands (ev): -12.8708 -12.8708 -12.8702 -12.8702 -10.3428 -10.3428 -10.3411 -10.3411 -9.4122 -9.4122 -9.4077 -9.4077 -4.2179 -4.2179 -4.2171 -4.2171 -0.6104 -0.6104 -0.5786 -0.5786 0.0536 0.0536 0.0585 0.0585 0.7584 0.7584 0.8035 0.8035 2.0348 2.0348 2.0534 2.0534 3.0114 3.0114 3.0125 3.0125 3.9868 3.9868 3.9980 3.9980 4.3945 4.3945 4.3955 4.3955 4.9553 4.9553 4.9647 4.9647 10.7848 10.7848 10.7854 10.7854 11.5312 11.5312 11.5540 11.5540 13.0870 13.0870 k = 0.0862 0.1468 0.5583 ( 4568 PWs) bands (ev): -12.8762 -12.8762 -12.8755 -12.8755 -10.3543 -10.3543 -10.3528 -10.3528 -9.3732 -9.3732 -9.3690 -9.3690 -4.2732 -4.2732 -4.2724 -4.2724 -0.5736 -0.5736 -0.5430 -0.5430 0.0312 0.0312 0.0360 0.0360 0.7564 0.7564 0.7991 0.7991 2.0485 2.0485 2.0654 2.0654 3.0169 3.0169 3.0183 3.0183 4.0039 4.0039 4.0149 4.0149 4.4015 4.4015 4.4025 4.4025 4.9611 4.9611 4.9702 4.9702 10.7707 10.7707 10.7711 10.7711 11.4968 11.4968 11.5177 11.5177 13.1005 13.1005 k = 0.0776 0.1322 0.5583 ( 4572 PWs) bands (ev): -12.8811 -12.8811 -12.8805 -12.8805 -10.3647 -10.3647 -10.3633 -10.3633 -9.3368 -9.3368 -9.3329 -9.3329 -4.3245 -4.3245 -4.3236 -4.3236 -0.5401 -0.5401 -0.5111 -0.5111 0.0107 0.0107 0.0153 0.0153 0.7552 0.7552 0.7951 0.7951 2.0613 2.0613 2.0765 2.0765 3.0204 3.0204 3.0220 3.0220 4.0218 4.0218 4.0325 4.0325 4.4081 4.4081 4.4091 4.4091 4.9659 4.9659 4.9745 4.9745 10.7570 10.7570 10.7572 10.7572 11.4652 11.4652 11.4841 11.4841 13.1180 13.1180 k = 0.0690 0.1175 0.5583 ( 4576 PWs) bands (ev): -12.8855 -12.8855 -12.8850 -12.8850 -10.3739 -10.3739 -10.3727 -10.3727 -9.3033 -9.3033 -9.2997 -9.2997 -4.3714 -4.3714 -4.3705 -4.3705 -0.5099 -0.5099 -0.4828 -0.4828 -0.0077 -0.0077 -0.0033 -0.0033 0.7548 0.7548 0.7915 0.7915 2.0730 2.0730 2.0865 2.0865 3.0223 3.0223 3.0240 3.0240 4.0402 4.0402 4.0503 4.0503 4.4143 4.4143 4.4153 4.4153 4.9697 4.9697 4.9778 4.9778 10.7438 10.7438 10.7439 10.7439 11.4366 11.4366 11.4535 11.4535 13.1389 13.1389 k = 0.0603 0.1028 0.5583 ( 4568 PWs) bands (ev): -12.8895 -12.8895 -12.8890 -12.8890 -10.3820 -10.3820 -10.3809 -10.3809 -9.2729 -9.2729 -9.2697 -9.2697 -4.4136 -4.4136 -4.4127 -4.4127 -0.4830 -0.4830 -0.4583 -0.4583 -0.0240 -0.0240 -0.0199 -0.0199 0.7551 0.7551 0.7883 0.7883 2.0836 2.0836 2.0954 2.0954 3.0230 3.0230 3.0247 3.0247 4.0583 4.0583 4.0676 4.0676 4.4199 4.4199 4.4208 4.4208 4.9726 4.9726 4.9801 4.9801 10.7313 10.7313 10.7314 10.7314 11.4111 11.4111 11.4260 11.4260 13.1621 13.1623 k = 0.0517 0.0881 0.5583 ( 4564 PWs) bands (ev): -12.8929 -12.8929 -12.8925 -12.8925 -10.3890 -10.3890 -10.3881 -10.3881 -9.2459 -9.2459 -9.2431 -9.2431 -4.4508 -4.4508 -4.4500 -4.4500 -0.4594 -0.4594 -0.4374 -0.4374 -0.0382 -0.0382 -0.0345 -0.0345 0.7561 0.7561 0.7853 0.7853 2.0930 2.0930 2.1031 2.1031 3.0227 3.0227 3.0244 3.0244 4.0755 4.0755 4.0840 4.0840 4.4249 4.4249 4.4258 4.4258 4.9749 4.9749 4.9816 4.9816 10.7199 10.7199 10.7199 10.7199 11.3889 11.3889 11.4017 11.4017 13.1862 13.1872 k = 0.0431 0.0734 0.5583 ( 4560 PWs) bands (ev): -12.8959 -12.8959 -12.8956 -12.8956 -10.3950 -10.3950 -10.3942 -10.3942 -9.2226 -9.2226 -9.2202 -9.2202 -4.4829 -4.4829 -4.4821 -4.4821 -0.4392 -0.4392 -0.4202 -0.4202 -0.0502 -0.0502 -0.0469 -0.0469 0.7575 0.7575 0.7824 0.7824 2.1012 2.1012 2.1096 2.1096 3.0219 3.0219 3.0234 3.0234 4.0914 4.0914 4.0987 4.0987 4.4293 4.4293 4.4300 4.4300 4.9765 4.9765 4.9824 4.9824 10.7096 10.7096 10.7097 10.7097 11.3700 11.3700 11.3808 11.3808 13.2107 13.2108 k = 0.0345 0.0587 0.5583 ( 4558 PWs) bands (ev): -12.8983 -12.8983 -12.8981 -12.8981 -10.3998 -10.3998 -10.3991 -10.3991 -9.2031 -9.2031 -9.2012 -9.2012 -4.5094 -4.5094 -4.5088 -4.5088 -0.4222 -0.4222 -0.4066 -0.4066 -0.0599 -0.0599 -0.0572 -0.0572 0.7594 0.7594 0.7797 0.7797 2.1081 2.1081 2.1149 2.1149 3.0208 3.0208 3.0221 3.0221 4.1054 4.1054 4.1114 4.1114 4.4330 4.4330 4.4336 4.4336 4.9778 4.9778 4.9827 4.9827 10.7009 10.7009 10.7010 10.7010 11.3547 11.3547 11.3633 11.3633 13.2342 13.2343 k = 0.0259 0.0441 0.5583 ( 4552 PWs) bands (ev): -12.9002 -12.9002 -12.9000 -12.9000 -10.4035 -10.4035 -10.4030 -10.4030 -9.1877 -9.1877 -9.1863 -9.1863 -4.5302 -4.5302 -4.5298 -4.5298 -0.4086 -0.4086 -0.3966 -0.3966 -0.0674 -0.0674 -0.0653 -0.0653 0.7616 0.7616 0.7771 0.7771 2.1138 2.1138 2.1188 2.1188 3.0198 3.0198 3.0207 3.0207 4.1169 4.1169 4.1216 4.1216 4.4359 4.4359 4.4364 4.4364 4.9788 4.9788 4.9825 4.9825 10.6939 10.6939 10.6940 10.6940 11.3429 11.3429 11.3494 11.3494 13.2550 13.2565 k = 0.0172 0.0294 0.5583 ( 4556 PWs) bands (ev): -12.9016 -12.9016 -12.9014 -12.9014 -10.4061 -10.4061 -10.4058 -10.4058 -9.1765 -9.1765 -9.1755 -9.1755 -4.5452 -4.5452 -4.5449 -4.5449 -0.3982 -0.3982 -0.3901 -0.3901 -0.0727 -0.0727 -0.0712 -0.0712 0.7640 0.7640 0.7744 0.7744 2.1180 2.1180 2.1214 2.1214 3.0189 3.0189 3.0196 3.0196 4.1257 4.1257 4.1289 4.1289 4.4380 4.4380 4.4383 4.4383 4.9796 4.9796 4.9822 4.9822 10.6888 10.6888 10.6889 10.6889 11.3348 11.3348 11.3391 11.3391 13.2715 13.2715 k = 0.0086 0.0147 0.5583 ( 4556 PWs) bands (ev): -12.9024 -12.9024 -12.9023 -12.9023 -10.4077 -10.4077 -10.4075 -10.4075 -9.1697 -9.1697 -9.1692 -9.1692 -4.5542 -4.5542 -4.5541 -4.5541 -0.3911 -0.3911 -0.3870 -0.3870 -0.0756 -0.0756 -0.0749 -0.0749 0.7665 0.7665 0.7718 0.7718 2.1209 2.1209 2.1226 2.1226 3.0184 3.0184 3.0187 3.0187 4.1315 4.1315 4.1331 4.1331 4.4393 4.4393 4.4395 4.4395 4.9803 4.9803 4.9816 4.9816 10.6857 10.6857 10.6857 10.6857 11.3303 11.3303 11.3325 11.3325 13.2823 13.2825 k = 0.0000 0.0000 0.5583 ( 4568 PWs) bands (ev): -12.9026 -12.9026 -12.9026 -12.9026 -10.4081 -10.4081 -10.4081 -10.4081 -9.1672 -9.1672 -9.1672 -9.1672 -4.5572 -4.5572 -4.5572 -4.5572 -0.3874 -0.3874 -0.3874 -0.3874 -0.0764 -0.0764 -0.0764 -0.0764 0.7691 0.7691 0.7691 0.7691 2.1224 2.1224 2.1224 2.1224 3.0183 3.0183 3.0183 3.0183 4.1339 4.1339 4.1339 4.1339 4.4398 4.4398 4.4398 4.4398 4.9810 4.9810 4.9810 4.9810 10.6846 10.6846 10.6846 10.6846 11.3295 11.3295 11.3295 11.3295 13.2863 13.2863 k = 0.0000 0.0000 0.5583 ( 4568 PWs) bands (ev): -12.9026 -12.9026 -12.9026 -12.9026 -10.4081 -10.4081 -10.4081 -10.4081 -9.1672 -9.1672 -9.1672 -9.1672 -4.5572 -4.5572 -4.5572 -4.5572 -0.3874 -0.3874 -0.3874 -0.3874 -0.0764 -0.0764 -0.0764 -0.0764 0.7691 0.7691 0.7691 0.7691 2.1224 2.1224 2.1224 2.1224 3.0183 3.0183 3.0183 3.0183 4.1339 4.1339 4.1339 4.1339 4.4398 4.4398 4.4398 4.4398 4.9810 4.9810 4.9810 4.9810 10.6846 10.6846 10.6846 10.6846 11.3295 11.3295 11.3295 11.3295 13.2863 13.2863 k = 0.0000 0.0000 0.5414 ( 4566 PWs) bands (ev): -12.9254 -12.9254 -12.8802 -12.8802 -10.4483 -10.4483 -10.3663 -10.3663 -9.1765 -9.1765 -9.1587 -9.1587 -4.5604 -4.5604 -4.5504 -4.5504 -0.5128 -0.5128 -0.2709 -0.2709 -0.1106 -0.1106 -0.0405 -0.0405 0.7437 0.7437 0.8016 0.8016 2.0936 2.0936 2.1448 2.1448 3.0057 3.0057 3.0336 3.0336 4.1195 4.1195 4.1483 4.1483 4.4298 4.4298 4.4490 4.4490 4.9627 4.9627 4.9973 4.9973 10.6646 10.6646 10.7032 10.7032 11.3262 11.3262 11.3437 11.3437 13.2753 13.2753 k = 0.0000 0.0000 0.5245 ( 4556 PWs) bands (ev): -12.9484 -12.9484 -12.8582 -12.8582 -10.4867 -10.4867 -10.3229 -10.3229 -9.1865 -9.1865 -9.1510 -9.1510 -4.5600 -4.5600 -4.5401 -4.5401 -0.6438 -0.6438 -0.1808 -0.1808 -0.1290 -0.1290 -0.0040 -0.0040 0.7280 0.7280 0.8390 0.8390 2.0587 2.0587 2.1606 2.1606 2.9956 2.9956 3.0518 3.0518 4.1051 4.1051 4.1627 4.1627 4.4189 4.4189 4.4572 4.4572 4.9425 4.9425 5.0116 5.0116 10.6428 10.6428 10.7206 10.7206 11.3338 11.3338 11.3685 11.3685 13.2590 13.2590 k = 0.0000 0.0000 0.5075 ( 4556 PWs) bands (ev): -12.9716 -12.9716 -12.8367 -12.8367 -10.5235 -10.5235 -10.2778 -10.2778 -9.1972 -9.1972 -9.1442 -9.1442 -4.5560 -4.5560 -4.5264 -4.5264 -0.7786 -0.7786 -0.1918 -0.1918 -0.0617 -0.0617 0.0336 0.0336 0.7260 0.7260 0.8802 0.8802 2.0178 2.0178 2.1697 2.1697 2.9881 2.9881 3.0729 3.0729 4.0909 4.0909 4.1768 4.1768 4.4073 4.4073 4.4646 4.4646 4.9205 4.9205 5.0239 5.0239 10.6190 10.6190 10.7369 10.7369 11.3525 11.3525 11.4034 11.4034 13.2371 13.2371 k = 0.0000 0.0000 0.4906 ( 4562 PWs) bands (ev): -12.9950 -12.9950 -12.8157 -12.8157 -10.5585 -10.5585 -10.2310 -10.2310 -9.2086 -9.2086 -9.1382 -9.1382 -4.5484 -4.5484 -4.5094 -4.5094 -0.9159 -0.9159 -0.2246 -0.2246 0.0067 0.0067 0.0728 0.0728 0.7420 0.7420 0.9241 0.9241 1.9714 1.9714 2.1719 2.1719 2.9828 2.9828 3.0970 3.0970 4.0768 4.0768 4.1907 4.1907 4.3953 4.3953 4.4710 4.4710 4.8968 4.8968 5.0340 5.0340 10.5929 10.5929 10.7523 10.7523 11.3820 11.3820 11.4480 11.4480 13.2098 13.2098 k = 0.0000 0.0000 0.4737 ( 4558 PWs) bands (ev): -13.0185 -13.0185 -12.7953 -12.7953 -10.5920 -10.5920 -10.1828 -10.1828 -9.2205 -9.2205 -9.1331 -9.1331 -4.5372 -4.5372 -4.4892 -4.4892 -1.0548 -1.0548 -0.2585 -0.2585 0.0531 0.0531 0.1123 0.1123 0.7791 0.7791 0.9702 0.9702 1.9199 1.9199 2.1673 2.1673 2.9798 2.9798 3.1244 3.1244 4.0630 4.0630 4.2041 4.2041 4.3829 4.3829 4.4767 4.4767 4.8717 4.8717 5.0422 5.0422 10.5643 10.5643 10.7670 10.7670 11.4223 11.4223 11.5016 11.5016 13.1776 13.1776 k = 0.0000 0.0000 0.4568 ( 4566 PWs) bands (ev): -13.0420 -13.0420 -12.7755 -12.7755 -10.6238 -10.6238 -10.1330 -10.1330 -9.2330 -9.2330 -9.1288 -9.1288 -4.5225 -4.5225 -4.4659 -4.4659 -1.1945 -1.1945 -0.2921 -0.2921 0.0804 0.0804 0.1478 0.1478 0.8371 0.8371 1.0181 1.0181 1.8635 1.8635 2.1559 2.1559 2.9788 2.9788 3.1549 3.1549 4.0495 4.0495 4.2170 4.2170 4.3705 4.3705 4.4817 4.4817 4.8452 4.8452 5.0483 5.0483 10.5330 10.5330 10.7812 10.7812 11.4731 11.4731 11.5634 11.5634 13.1412 13.1412 k = 0.0000 0.0000 0.4399 ( 4562 PWs) bands (ev): -13.0654 -13.0654 -12.7563 -12.7563 -10.6540 -10.6540 -10.0819 -10.0819 -9.2458 -9.2458 -9.1253 -9.1253 -4.5043 -4.5043 -4.4397 -4.4397 -1.3345 -1.3345 -0.3252 -0.3252 0.0915 0.0915 0.1796 0.1796 0.9117 0.9117 1.0674 1.0674 1.8029 1.8029 2.1378 2.1378 2.9799 2.9799 3.1887 3.1887 4.0365 4.0365 4.2292 4.2292 4.3582 4.3582 4.4862 4.4862 4.8176 4.8176 5.0525 5.0525 10.4988 10.4988 10.7950 10.7950 11.5339 11.5339 11.6325 11.6325 13.1011 13.1011 k = 0.0000 0.0000 0.4229 ( 4546 PWs) bands (ev): -13.0886 -13.0886 -12.7378 -12.7378 -10.6826 -10.6826 -10.0294 -10.0294 -9.2591 -9.2591 -9.1227 -9.1227 -4.4827 -4.4827 -4.4107 -4.4107 -1.4744 -1.4744 -0.3575 -0.3575 0.0890 0.0890 0.2099 0.2099 0.9973 0.9973 1.1181 1.1181 1.7386 1.7386 2.1132 2.1132 2.9828 2.9828 3.2259 3.2259 4.0239 4.0239 4.2405 4.2405 4.3463 4.3463 4.4903 4.4903 4.7893 4.7893 5.0548 5.0548 10.4614 10.4614 10.8083 10.8083 11.6044 11.6044 11.7076 11.7076 13.0582 13.0582 k = 0.0000 0.0000 0.4060 ( 4558 PWs) bands (ev): -13.1117 -13.1117 -12.7199 -12.7199 -10.7097 -10.7097 -9.9757 -9.9757 -9.2726 -9.2726 -9.1208 -9.1208 -4.4579 -4.4579 -4.3791 -4.3791 -1.6135 -1.6135 -0.3889 -0.3889 0.0767 0.0767 0.2393 0.2393 1.0880 1.0880 1.1708 1.1708 1.6712 1.6712 2.0824 2.0824 2.9874 2.9874 3.2664 3.2664 4.0119 4.0119 4.2505 4.2505 4.3349 4.3349 4.4941 4.4941 4.7605 4.7605 5.0555 5.0555 10.4208 10.4208 10.8213 10.8213 11.6840 11.6840 11.7873 11.7873 13.0131 13.0131 k = 0.0000 0.0000 0.3891 ( 4552 PWs) bands (ev): -13.1344 -13.1344 -12.7028 -12.7028 -10.7353 -10.7353 -9.9210 -9.9210 -9.2863 -9.2863 -9.1197 -9.1197 -4.4299 -4.4299 -4.3452 -4.3452 -1.7516 -1.7516 -0.4194 -0.4194 0.0580 0.0580 0.2675 0.2675 1.1767 1.1767 1.2286 1.2286 1.6013 1.6013 2.0457 2.0457 2.9936 2.9936 3.3100 3.3100 4.0006 4.0006 4.2589 4.2589 4.3243 4.3243 4.4979 4.4979 4.7317 4.7317 5.0545 5.0545 10.3770 10.3770 10.8340 10.8340 11.7720 11.7720 11.8700 11.8700 12.9664 12.9664 k = 0.0000 0.0000 0.3722 ( 4554 PWs) bands (ev): -13.1568 -13.1568 -12.6865 -12.6865 -10.7595 -10.7595 -9.8653 -9.8653 -9.3002 -9.3002 -9.1192 -9.1192 -4.3990 -4.3990 -4.3091 -4.3091 -1.8881 -1.8881 -0.4487 -0.4487 0.0354 0.0354 0.2939 0.2939 1.2503 1.2503 1.3015 1.3015 1.5299 1.5299 2.0035 2.0035 3.0013 3.0013 3.3567 3.3567 3.9900 3.9900 4.2654 4.2654 4.3146 4.3146 4.5016 4.5016 4.7034 4.7034 5.0522 5.0522 10.3300 10.3300 10.8464 10.8464 11.8678 11.8678 11.9534 11.9534 12.9187 12.9187 k = 0.0000 0.0000 0.3553 ( 4562 PWs) bands (ev): -13.1787 -13.1787 -12.6709 -12.6709 -10.7822 -10.7822 -9.8088 -9.8088 -9.3140 -9.3140 -9.1194 -9.1194 -4.3653 -4.3653 -4.2711 -4.2711 -2.0229 -2.0229 -0.4770 -0.4770 0.0105 0.0105 0.3179 0.3179 1.3081 1.3081 1.3871 1.3871 1.4593 1.4593 1.9564 1.9564 3.0104 3.0104 3.4061 3.4061 3.9804 3.9804 4.2692 4.2692 4.3059 4.3059 4.5055 4.5055 4.6762 4.6762 5.0487 5.0487 10.2800 10.2800 10.8585 10.8585 11.9703 11.9703 12.0353 12.0353 12.8702 12.8702 k = 0.0000 0.0000 0.3384 ( 4558 PWs) bands (ev): -13.2001 -13.2001 -12.6561 -12.6561 -10.8035 -10.8035 -9.7517 -9.7517 -9.3279 -9.3279 -9.1201 -9.1201 -4.3290 -4.3290 -4.2315 -4.2315 -2.1554 -2.1554 -0.5040 -0.5040 -0.0155 -0.0155 0.3389 0.3389 1.3564 1.3564 1.3875 1.3875 1.4803 1.4803 1.9049 1.9049 3.0206 3.0206 3.4577 3.4577 3.9720 3.9720 4.2700 4.2700 4.2983 4.2983 4.5095 4.5095 4.6509 4.6509 5.0443 5.0443 10.2270 10.2270 10.8703 10.8703 12.0761 12.0761 12.1149 12.1149 12.8215 12.8215 k = 0.0000 0.0000 0.3214 ( 4566 PWs) bands (ev): -13.2209 -13.2209 -12.6420 -12.6420 -10.8235 -10.8235 -9.6943 -9.6943 -9.3416 -9.3416 -9.1214 -9.1214 -4.2904 -4.2904 -4.1904 -4.1904 -2.2854 -2.2854 -0.5297 -0.5297 -0.0420 -0.0420 0.3561 0.3561 1.3096 1.3096 1.4155 1.4155 1.5659 1.5659 1.8497 1.8497 3.0320 3.0320 3.5110 3.5110 3.9650 3.9650 4.2672 4.2672 4.2914 4.2914 4.5138 4.5138 4.6283 4.6283 5.0392 5.0392 10.1713 10.1713 10.8818 10.8818 12.1642 12.1642 12.2087 12.2087 12.7729 12.7729 k = 0.0000 0.0000 0.3045 ( 4578 PWs) bands (ev): -13.2411 -13.2411 -12.6287 -12.6287 -10.8423 -10.8423 -9.6367 -9.6367 -9.3550 -9.3550 -9.1231 -9.1231 -4.2498 -4.2498 -4.1483 -4.1483 -2.4124 -2.4124 -0.5541 -0.5541 -0.0684 -0.0684 0.3685 0.3685 1.2417 1.2417 1.4652 1.4652 1.6481 1.6481 1.7920 1.7920 3.0443 3.0443 3.5650 3.5650 3.9599 3.9599 4.2605 4.2605 4.2849 4.2849 4.5184 4.5184 4.6092 4.6092 5.0338 5.0338 10.1133 10.1133 10.8929 10.8929 12.2205 12.2205 12.3260 12.3260 12.7246 12.7246 k = 0.0000 0.0000 0.2876 ( 4578 PWs) bands (ev): -13.2605 -13.2605 -12.6162 -12.6162 -10.8597 -10.8597 -9.5792 -9.5792 -9.3682 -9.3682 -9.1252 -9.1252 -4.2073 -4.2073 -4.1053 -4.1053 -2.5362 -2.5362 -0.5770 -0.5770 -0.0943 -0.0943 0.3751 0.3751 1.1772 1.1772 1.5143 1.5143 1.7122 1.7122 1.7458 1.7458 3.0574 3.0574 3.6183 3.6183 3.9574 3.9574 4.2494 4.2494 4.2790 4.2790 4.5234 4.5234 4.5940 4.5940 5.0286 5.0286 10.0534 10.0534 10.9036 10.9036 12.2566 12.2566 12.4512 12.4512 12.6770 12.6770 k = 0.0000 0.0000 0.2707 ( 4574 PWs) bands (ev): -13.2792 -13.2792 -12.6044 -12.6044 -10.8760 -10.8760 -9.5222 -9.5222 -9.3810 -9.3810 -9.1277 -9.1277 -4.1635 -4.1635 -4.0618 -4.0618 -2.6562 -2.6562 -0.5985 -0.5985 -0.1195 -0.1195 0.3746 0.3746 1.1183 1.1183 1.5615 1.5615 1.6649 1.6649 1.8054 1.8054 3.0712 3.0712 3.6692 3.6692 3.9587 3.9587 4.2334 4.2334 4.2740 4.2740 4.5286 4.5286 4.5831 4.5831 5.0237 5.0237 9.9919 9.9919 10.9139 10.9139 12.2739 12.2739 12.5807 12.5807 12.6306 12.6306 k = 0.0000 0.0000 0.2538 ( 4564 PWs) bands (ev): -13.2970 -13.2970 -12.5935 -12.5935 -10.8911 -10.8911 -9.4660 -9.4660 -9.3931 -9.3931 -9.1303 -9.1303 -4.1185 -4.1185 -4.0182 -4.0182 -2.7722 -2.7722 -0.6185 -0.6185 -0.1437 -0.1437 0.3659 0.3659 1.0668 1.0668 1.5872 1.5872 1.6231 1.6231 1.8741 1.8741 3.0856 3.0856 3.7153 3.7153 3.9653 3.9653 4.2127 4.2127 4.2701 4.2701 4.5342 4.5342 4.5761 4.5761 5.0199 5.0199 9.9293 9.9293 10.9238 10.9238 12.2738 12.2738 12.5841 12.5841 12.7149 12.7149 k = 0.0000 0.0000 0.2369 ( 4556 PWs) bands (ev): -13.3139 -13.3139 -12.5832 -12.5832 -10.9050 -10.9050 -9.4152 -9.4152 -9.4003 -9.4003 -9.1331 -9.1331 -4.0728 -4.0728 -3.9747 -3.9747 -2.8837 -2.8837 -0.6370 -0.6370 -0.1669 -0.1669 0.3483 0.3483 1.0239 1.0239 1.5315 1.5315 1.6602 1.6602 1.9386 1.9386 3.1005 3.1005 3.7536 3.7536 3.9791 3.9791 4.1880 4.1880 4.2671 4.2671 4.5400 4.5400 4.5725 4.5725 5.0174 5.0174 9.8662 9.8662 10.9331 10.9331 12.2593 12.2593 12.5398 12.5398 12.8508 12.8508 k = 0.0000 0.0000 0.2199 ( 4564 PWs) bands (ev): -13.3299 -13.3299 -12.5738 -12.5738 -10.9178 -10.9178 -9.4180 -9.4180 -9.3547 -9.3547 -9.1361 -9.1361 -4.0269 -4.0269 -3.9318 -3.9318 -2.9903 -2.9903 -0.6540 -0.6540 -0.1888 -0.1888 0.3215 0.3215 0.9903 0.9903 1.4677 1.4677 1.7040 1.7040 1.9985 1.9985 3.1156 3.1156 3.7820 3.7820 4.0014 4.0014 4.1605 4.1605 4.2648 4.2648 4.5459 4.5459 4.5717 4.5717 5.0167 5.0167 9.8032 9.8032 10.9420 10.9420 12.2342 12.2342 12.4970 12.4970 12.9886 12.9886 k = 0.0000 0.0000 0.2030 ( 4558 PWs) bands (ev): -13.3449 -13.3449 -12.5651 -12.5651 -10.9296 -10.9296 -9.4285 -9.4285 -9.3026 -9.3026 -9.1391 -9.1391 -3.9810 -3.9810 -3.8898 -3.8898 -3.0916 -3.0916 -0.6694 -0.6694 -0.2093 -0.2093 0.2866 0.2866 0.9658 0.9658 1.4040 1.4040 1.7466 1.7466 2.0536 2.0536 3.1308 3.1308 3.8007 3.8007 4.0309 4.0309 4.1309 4.1309 4.2631 4.2631 4.5520 4.5520 4.5729 4.5729 5.0184 5.0184 9.7408 9.7408 10.9502 10.9502 12.2019 12.2019 12.4559 12.4559 13.1275 13.1275 k = 0.0000 0.0000 0.1861 ( 4540 PWs) bands (ev): -13.3588 -13.3588 -12.5571 -12.5571 -10.9402 -10.9402 -9.4385 -9.4385 -9.2523 -9.2523 -9.1419 -9.1419 -3.9359 -3.9359 -3.8492 -3.8492 -3.1871 -3.1871 -0.6832 -0.6832 -0.2285 -0.2285 0.2451 0.2451 0.9492 0.9492 1.3418 1.3418 1.7874 1.7874 2.1042 2.1042 3.1461 3.1461 3.8118 3.8118 4.0641 4.0641 4.1008 4.1008 4.2619 4.2619 4.5581 4.5581 4.5756 4.5756 5.0226 5.0226 9.6797 9.6797 10.9579 10.9579 12.1654 12.1654 12.4169 12.4169 13.2665 13.2665 k = 0.0000 0.0000 0.1692 ( 4540 PWs) bands (ev): -13.3717 -13.3717 -12.5498 -12.5498 -10.9499 -10.9499 -9.4479 -9.4479 -9.2046 -9.2046 -9.1445 -9.1445 -3.8918 -3.8918 -3.8102 -3.8102 -3.2764 -3.2764 -0.6955 -0.6955 -0.2462 -0.2462 0.1992 0.1992 0.9389 0.9389 1.2819 1.2819 1.8260 1.8260 2.1501 2.1501 3.1613 3.1613 3.8181 3.8181 4.0671 4.0671 4.1010 4.1010 4.2611 4.2611 4.5641 4.5641 4.5792 4.5792 5.0297 5.0297 9.6205 9.6205 10.9650 10.9650 12.1271 12.1271 12.3802 12.3802 13.4047 13.4047 k = 0.0000 0.0000 0.1523 ( 4542 PWs) bands (ev): -13.3835 -13.3835 -12.5433 -12.5433 -10.9586 -10.9586 -9.4565 -9.4565 -9.1621 -9.1621 -9.1447 -9.1447 -3.8495 -3.8495 -3.7734 -3.7734 -3.3591 -3.3591 -0.7064 -0.7064 -0.2623 -0.2623 0.1512 0.1512 0.9335 0.9335 1.2249 1.2249 1.8622 1.8622 2.1916 2.1916 3.1761 3.1761 3.8214 3.8214 4.0370 4.0370 4.1329 4.1329 4.2607 4.2607 4.5700 4.5700 4.5833 4.5833 5.0397 5.0397 9.5640 9.5640 10.9714 10.9714 12.0889 12.0889 12.3461 12.3461 13.5408 13.5408 k = 0.0000 0.0000 0.1353 ( 4530 PWs) bands (ev): -13.3941 -13.3941 -12.5375 -12.5375 -10.9663 -10.9663 -9.4643 -9.4643 -9.1523 -9.1523 -9.1153 -9.1153 -3.8095 -3.8095 -3.7391 -3.7391 -3.4346 -3.4346 -0.7157 -0.7157 -0.2768 -0.2768 0.1030 0.1030 0.9314 0.9314 1.1716 1.1716 1.8957 1.8957 2.2286 2.2286 3.1904 3.1904 3.8231 3.8231 4.0071 4.0071 4.1618 4.1618 4.2607 4.2607 4.5756 4.5756 4.5877 4.5877 5.0521 5.0521 9.5109 9.5109 10.9772 10.9772 12.0520 12.0520 12.3148 12.3148 13.6597 13.6597 k = 0.0000 0.0000 0.1184 ( 4526 PWs) bands (ev): -13.4035 -13.4035 -12.5324 -12.5324 -10.9730 -10.9730 -9.4714 -9.4714 -9.1540 -9.1540 -9.0778 -9.0778 -3.7724 -3.7724 -3.7077 -3.7077 -3.5025 -3.5025 -0.7237 -0.7237 -0.2898 -0.2898 0.0566 0.0566 0.9316 0.9316 1.1226 1.1226 1.9261 1.9261 2.2612 2.2612 3.2040 3.2040 3.8239 3.8239 3.9787 3.9787 4.1866 4.1866 4.2609 4.2609 4.5808 4.5808 4.5920 4.5920 5.0664 5.0664 9.4618 9.4618 10.9823 10.9823 12.0175 12.0175 12.2865 12.2865 13.6752 13.6752 k = 0.0000 0.0000 0.1015 ( 4522 PWs) bands (ev): -13.4117 -13.4117 -12.5280 -12.5280 -10.9789 -10.9789 -9.4775 -9.4775 -9.1561 -9.1561 -9.0439 -9.0439 -3.7387 -3.7387 -3.6795 -3.6795 -3.5624 -3.5624 -0.7304 -0.7304 -0.3010 -0.3010 0.0134 0.0134 0.9330 0.9330 1.0787 1.0787 1.9531 1.9531 2.2895 2.2895 3.2167 3.2167 3.8243 3.8243 3.9523 3.9523 4.2067 4.2067 4.2614 4.2614 4.5856 4.5856 4.5960 4.5960 5.0819 5.0819 9.4175 9.4175 10.9868 10.9868 11.9863 11.9863 12.2615 12.2615 13.6774 13.6774 k = 0.0000 0.0000 0.0846 ( 4516 PWs) bands (ev): -13.4187 -13.4187 -12.5242 -12.5242 -10.9837 -10.9837 -9.4828 -9.4828 -9.1579 -9.1579 -9.0144 -9.0144 -3.7091 -3.7091 -3.6552 -3.6552 -3.6136 -3.6136 -0.7359 -0.7359 -0.3106 -0.3106 -0.0253 -0.0253 0.9351 0.9351 1.0405 1.0405 1.9766 1.9766 2.3134 2.3134 3.2282 3.2282 3.8244 3.8244 3.9286 3.9286 4.2223 4.2223 4.2622 4.2622 4.5898 4.5898 4.5997 4.5997 5.0975 5.0975 9.3787 9.3787 10.9906 10.9906 11.9590 11.9590 12.2399 12.2399 13.6769 13.6769 k = 0.0000 0.0000 0.0677 ( 4514 PWs) bands (ev): -13.4245 -13.4245 -12.5212 -12.5212 -10.9877 -10.9877 -9.4871 -9.4871 -9.1595 -9.1595 -8.9896 -8.9896 -3.6843 -3.6843 -3.6567 -3.6567 -3.6339 -3.6339 -0.7402 -0.7402 -0.3185 -0.3185 -0.0583 -0.0583 0.9372 0.9372 1.0084 1.0084 1.9962 1.9962 2.3330 2.3330 3.2382 3.2382 3.8244 3.8244 3.9082 3.9082 4.2337 4.2337 4.2633 4.2633 4.5934 4.5934 4.6028 4.6028 5.1122 5.1122 9.3459 9.3459 10.9937 10.9937 11.9361 11.9361 12.2220 12.2220 13.6751 13.6751 k = 0.0000 0.0000 0.0508 ( 4508 PWs) bands (ev): -13.4290 -13.4290 -12.5188 -12.5188 -10.9908 -10.9908 -9.4905 -9.4905 -9.1608 -9.1608 -8.9700 -8.9700 -3.6911 -3.6911 -3.6632 -3.6632 -3.6178 -3.6178 -0.7435 -0.7435 -0.3247 -0.3247 -0.0850 -0.0850 0.9390 0.9390 0.9831 0.9831 2.0117 2.0117 2.3483 2.3483 3.2465 3.2465 3.8243 3.8243 3.8917 3.8917 4.2414 4.2414 4.2648 4.2648 4.5962 4.5962 4.6053 4.6053 5.1248 5.1248 9.3198 9.3198 10.9961 10.9961 11.9179 11.9179 12.2079 12.2079 13.6729 13.6729 k = 0.0000 0.0000 0.0338 ( 4504 PWs) bands (ev): -13.4322 -13.4322 -12.5172 -12.5172 -10.9930 -10.9930 -9.4929 -9.4929 -9.1617 -9.1617 -8.9558 -8.9558 -3.7149 -3.7149 -3.6489 -3.6489 -3.6060 -3.6060 -0.7457 -0.7457 -0.3291 -0.3291 -0.1044 -0.1044 0.9400 0.9400 0.9652 0.9652 2.0229 2.0229 2.3592 2.3592 3.2526 3.2526 3.8243 3.8243 3.8794 3.8794 4.2459 4.2459 4.2664 4.2664 4.5983 4.5983 4.6072 4.6072 5.1346 5.1346 9.3008 9.3008 10.9979 10.9979 11.9047 11.9047 12.1977 12.1977 13.6708 13.6708 k = 0.0000 0.0000 0.0169 ( 4500 PWs) bands (ev): -13.4341 -13.4341 -12.5162 -12.5162 -10.9943 -10.9943 -9.4944 -9.4944 -9.1622 -9.1622 -8.9472 -8.9472 -3.7294 -3.7294 -3.6400 -3.6400 -3.5988 -3.5988 -0.7471 -0.7471 -0.3317 -0.3317 -0.1163 -0.1163 0.9399 0.9399 0.9552 0.9552 2.0297 2.0297 2.3657 2.3657 3.2564 3.2564 3.8243 3.8243 3.8719 3.8719 4.2483 4.2483 4.2676 4.2676 4.5996 4.5996 4.6083 4.6083 5.1407 5.1407 9.2892 9.2892 10.9989 10.9989 11.8967 11.8967 12.1916 12.1916 13.6695 13.6695 k = 0.0000 0.0000 0.0000 ( 4499 PWs) bands (ev): -13.4348 -13.4348 -12.5158 -12.5158 -10.9948 -10.9948 -9.4949 -9.4949 -9.1624 -9.1624 -8.9444 -8.9444 -3.7343 -3.7343 -3.6370 -3.6370 -3.5964 -3.5964 -0.7475 -0.7475 -0.3326 -0.3326 -0.1203 -0.1203 0.9393 0.9393 0.9523 0.9523 2.0320 2.0320 2.3679 2.3679 3.2577 3.2577 3.8243 3.8243 3.8694 3.8694 4.2490 4.2490 4.2681 4.2681 4.6000 4.6000 4.6087 4.6087 5.1428 5.1428 9.2854 9.2854 10.9992 10.9992 11.8941 11.8941 12.1895 12.1895 13.6690 13.6690 k = 0.0000 0.0000 0.0000 ( 4499 PWs) bands (ev): -13.4348 -13.4348 -12.5158 -12.5158 -10.9948 -10.9948 -9.4949 -9.4949 -9.1624 -9.1624 -8.9444 -8.9444 -3.7343 -3.7343 -3.6370 -3.6370 -3.5964 -3.5964 -0.7475 -0.7475 -0.3326 -0.3326 -0.1203 -0.1203 0.9393 0.9393 0.9523 0.9523 2.0320 2.0320 2.3679 2.3679 3.2577 3.2577 3.8243 3.8243 3.8694 3.8694 4.2490 4.2490 4.2681 4.2681 4.6000 4.6000 4.6087 4.6087 5.1428 5.1428 9.2854 9.2854 10.9992 10.9992 11.8941 11.8941 12.1895 12.1895 13.6690 13.6690 k =-0.0147 0.0086 0.0000 ( 4509 PWs) bands (ev): -13.4340 -13.4339 -12.5159 -12.5158 -10.9970 -10.9969 -9.4947 -9.4942 -9.1630 -9.1620 -8.9451 -8.9433 -3.7469 -3.7438 -3.6278 -3.6226 -3.5942 -3.5927 -0.7495 -0.7467 -0.3318 -0.3304 -0.1220 -0.1204 0.9360 0.9372 0.9488 0.9528 2.0334 2.0335 2.3683 2.3700 3.2576 3.2578 3.8217 3.8220 3.8710 3.8716 4.2428 4.2515 4.2611 4.2706 4.5995 4.5997 4.6082 4.6082 5.1430 5.1432 9.2903 9.2903 10.9944 11.0001 11.8976 11.8991 12.1902 12.1916 13.6620 13.6674 k =-0.0294 0.0173 0.0000 ( 4509 PWs) bands (ev): -13.4315 -13.4314 -12.5162 -12.5159 -11.0036 -11.0033 -9.4935 -9.4926 -9.1637 -9.1616 -8.9455 -8.9418 -3.7716 -3.7679 -3.6032 -3.5957 -3.5850 -3.5823 -0.7524 -0.7469 -0.3278 -0.3251 -0.1252 -0.1221 0.9261 0.9297 0.9436 0.9500 2.0377 2.0380 2.3714 2.3747 3.2576 3.2579 3.8143 3.8149 3.8764 3.8776 4.2321 4.2452 4.2550 4.2699 4.5982 4.5986 4.6067 4.6069 5.1439 5.1442 9.3050 9.3051 10.9859 10.9970 11.9097 11.9125 12.1936 12.1963 13.6468 13.6573 k =-0.0441 0.0259 0.0000 ( 4505 PWs) bands (ev): -13.4273 -13.4272 -12.5165 -12.5160 -11.0145 -11.0140 -9.4915 -9.4901 -9.1644 -9.1613 -8.9455 -8.9401 -3.8000 -3.7965 -3.5776 -3.5763 -3.5611 -3.5573 -0.7564 -0.7482 -0.3208 -0.3168 -0.1301 -0.1254 0.9093 0.9166 0.9370 0.9447 2.0450 2.0455 2.3770 2.3819 3.2576 3.2581 3.8017 3.8027 3.8855 3.8872 4.2158 4.2266 4.2539 4.2675 4.5962 4.5967 4.6044 4.6046 5.1453 5.1458 9.3293 9.3295 10.9744 10.9905 11.9296 11.9334 12.1997 12.2038 13.6244 13.6393 k =-0.0588 0.0345 0.0000 ( 4507 PWs) bands (ev): -13.4215 -13.4214 -12.5169 -12.5163 -11.0294 -11.0288 -9.4886 -9.4868 -9.1652 -9.1611 -8.9453 -8.9381 -3.8290 -3.8261 -3.5578 -3.5554 -3.5282 -3.5207 -0.7612 -0.7504 -0.3108 -0.3057 -0.1366 -0.1303 0.8864 0.8975 0.9286 0.9373 2.0551 2.0557 2.3850 2.3916 3.2576 3.2582 3.7838 3.7850 3.8979 3.9002 4.1937 4.2018 4.2524 4.2642 4.5933 4.5941 4.6013 4.6017 5.1473 5.1480 9.3628 9.3631 10.9607 10.9814 11.9566 11.9608 12.2084 12.2139 13.5956 13.6142 k =-0.0735 0.0432 0.0000 ( 4507 PWs) bands (ev): -13.4140 -13.4139 -12.5174 -12.5166 -11.0484 -11.0476 -9.4850 -9.4827 -9.1660 -9.1609 -8.9447 -8.9359 -3.8577 -3.8553 -3.5345 -3.5303 -3.4912 -3.4821 -0.7667 -0.7535 -0.2980 -0.2917 -0.1446 -0.1366 0.8580 0.8728 0.9183 0.9278 2.0680 2.0688 2.3955 2.4035 3.2575 3.2582 3.7599 3.7615 3.9132 3.9160 4.1664 4.1721 4.2501 4.2605 4.5894 4.5905 4.5978 4.5984 5.1500 5.1508 9.4051 9.4054 10.9459 10.9706 11.9894 11.9935 12.2197 12.2266 13.5618 13.5832 k =-0.0882 0.0518 0.0000 ( 4509 PWs) bands (ev): -13.4048 -13.4047 -12.5180 -12.5171 -11.0711 -11.0702 -9.4807 -9.4781 -9.1666 -9.1607 -8.9440 -8.9336 -3.8855 -3.8838 -3.5064 -3.5007 -3.4525 -3.4421 -0.7729 -0.7573 -0.2826 -0.2751 -0.1541 -0.1444 0.8245 0.8427 0.9060 0.9164 2.0835 2.0844 2.4081 2.4177 3.2573 3.2580 3.7297 3.7316 3.9311 3.9343 4.1349 4.1387 4.2471 4.2565 4.5841 4.5854 4.5948 4.5955 5.1531 5.1541 9.4554 9.4558 10.9308 10.9590 12.0267 12.0302 12.2335 12.2418 13.5242 13.5476 k =-0.1029 0.0604 0.0000 ( 4517 PWs) bands (ev): -13.3941 -13.3939 -12.5187 -12.5176 -11.0975 -11.0965 -9.4759 -9.4730 -9.1672 -9.1604 -8.9431 -8.9313 -3.9124 -3.9113 -3.4733 -3.4664 -3.4126 -3.4012 -0.7795 -0.7617 -0.2647 -0.2559 -0.1649 -0.1534 0.7864 0.8079 0.8917 0.9028 2.1016 2.1027 2.4228 2.4338 3.2569 3.2575 3.6926 3.6949 3.9507 3.9543 4.1005 4.1026 4.2436 4.2521 4.5773 4.5785 4.5928 4.5933 5.1568 5.1579 9.5133 9.5137 10.9163 10.9476 12.0674 12.0698 12.2496 12.2592 13.4839 13.5088 k =-0.1176 0.0691 0.0000 ( 4525 PWs) bands (ev): -13.3817 -13.3815 -12.5194 -12.5183 -11.1271 -11.1261 -9.4706 -9.4674 -9.1676 -9.1600 -8.9421 -8.9290 -3.9381 -3.9376 -3.4356 -3.4275 -3.3719 -3.3595 -0.7866 -0.7666 -0.2450 -0.2345 -0.1768 -0.1631 0.7443 0.7688 0.8754 0.8873 2.1222 2.1234 2.4394 2.4519 3.2563 3.2568 3.6485 3.6511 3.9714 3.9753 4.0644 4.0650 4.2396 4.2475 4.5689 4.5701 4.5919 4.5923 5.1610 5.1622 9.5779 9.5784 10.9032 10.9371 12.1102 12.1114 12.2680 12.2788 13.4420 13.4678 k =-0.1324 0.0777 0.0000 ( 4523 PWs) bands (ev): -13.3677 -13.3675 -12.5202 -12.5190 -11.1599 -11.1588 -9.4650 -9.4616 -9.1677 -9.1595 -8.9412 -8.9267 -3.9626 -3.9625 -3.3933 -3.3842 -3.3305 -3.3172 -0.7938 -0.7718 -0.2247 -0.2117 -0.1891 -0.1722 0.6987 0.7258 0.8571 0.8696 2.1451 2.1464 2.4577 2.4715 3.2554 3.2558 3.5971 3.6003 3.9922 3.9960 4.0272 4.0275 4.2351 4.2424 4.5591 4.5603 4.5926 4.5929 5.1656 5.1670 9.6485 9.6491 10.8921 10.9282 12.1539 12.1540 12.2883 12.3000 13.3996 13.4258 k =-0.1471 0.0863 0.0000 ( 4517 PWs) bands (ev): -13.3521 -13.3518 -12.5211 -12.5197 -11.1955 -11.1944 -9.4592 -9.4556 -9.1676 -9.1587 -8.9403 -8.9247 -3.9862 -3.9857 -3.3467 -3.3366 -3.2884 -3.2744 -0.8011 -0.7772 -0.2106 -0.2070 -0.1822 -0.1741 0.6499 0.6796 0.8368 0.8499 2.1703 2.1717 2.4773 2.4925 3.2542 3.2545 3.5390 3.5428 3.9870 3.9895 4.0132 4.0183 4.2302 4.2372 4.5480 4.5492 4.5953 4.5955 5.1706 5.1721 9.7245 9.7252 10.8834 10.9215 12.1967 12.1979 12.3104 12.3226 13.3574 13.3837 k =-0.1618 0.0950 0.0000 ( 4515 PWs) bands (ev): -13.3349 -13.3346 -12.5220 -12.5206 -11.2337 -11.2326 -9.4533 -9.4495 -9.1672 -9.1577 -8.9395 -8.9229 -4.0085 -4.0075 -3.2961 -3.2851 -3.2458 -3.2312 -0.8084 -0.7826 -0.2213 -0.2139 -0.1577 -0.1552 0.5986 0.6305 0.8145 0.8280 2.1976 2.1990 2.4981 2.5146 3.2527 3.2529 3.4748 3.4793 3.9492 3.9524 4.0315 4.0365 4.2251 4.2316 4.5356 4.5368 4.6006 4.6007 5.1760 5.1775 9.8050 9.8059 10.8776 10.9173 12.2392 12.2407 12.3341 12.3460 13.3161 13.3423 k =-0.1765 0.1036 0.0000 ( 4511 PWs) bands (ev): -13.3162 -13.3159 -12.5230 -12.5214 -11.2743 -11.2731 -9.4474 -9.4434 -9.1664 -9.1563 -8.9390 -8.9214 -4.0294 -4.0280 -3.2416 -3.2301 -3.2025 -3.1877 -0.8155 -0.7878 -0.2373 -0.2260 -0.1314 -0.1255 0.5451 0.5791 0.7902 0.8040 2.2269 2.2284 2.5195 2.5374 3.2510 3.2511 3.4056 3.4110 3.9111 3.9152 4.0475 4.0526 4.2196 4.2257 4.5221 4.5233 4.6090 4.6090 5.1816 5.1832 9.8895 9.8904 10.8749 10.9161 12.2804 12.2812 12.3596 12.3699 13.2765 13.3023 k =-0.1912 0.1122 0.0000 ( 4517 PWs) bands (ev): -13.2959 -13.2956 -12.5240 -12.5224 -11.3169 -11.3157 -9.4415 -9.4374 -9.1652 -9.1545 -8.9387 -8.9202 -4.0489 -4.0471 -3.1837 -3.1733 -3.1573 -3.1439 -0.8223 -0.7927 -0.2541 -0.2408 -0.1017 -0.0940 0.4900 0.5258 0.7638 0.7778 2.2580 2.2595 2.5412 2.5604 3.2489 3.2489 3.3326 3.3392 3.8730 3.8778 4.0602 4.0652 4.2138 4.2196 4.5075 4.5087 4.6208 4.6208 5.1875 5.1892 9.9772 9.9783 10.8756 10.9179 12.3175 12.3193 12.3876 12.3946 13.2390 13.2642 k =-0.2059 0.1208 0.0000 ( 4521 PWs) bands (ev): -13.2742 -13.2739 -12.5250 -12.5234 -11.3614 -11.3602 -9.4357 -9.4316 -9.1635 -9.1524 -8.9388 -8.9195 -4.0669 -4.0649 -3.1229 -3.1221 -3.1033 -3.0997 -0.8285 -0.7971 -0.2715 -0.2568 -0.0701 -0.0610 0.4337 0.4710 0.7354 0.7494 2.2909 2.2924 2.5624 2.5831 3.2464 3.2466 3.2574 3.2656 3.8347 3.8403 4.0688 4.0737 4.2078 4.2133 4.4920 4.4932 4.6363 4.6364 5.1936 5.1953 10.0674 10.0687 10.8798 10.9231 12.3469 12.3532 12.4198 12.4217 13.2041 13.2285 k =-0.2206 0.1295 0.0000 ( 4531 PWs) bands (ev): -13.2510 -13.2507 -12.5261 -12.5244 -11.4074 -11.4063 -9.4301 -9.4260 -9.1615 -9.1498 -8.9393 -8.9193 -4.0836 -4.0813 -3.0773 -3.0630 -3.0519 -3.0399 -0.8341 -0.8009 -0.2893 -0.2736 -0.0372 -0.0268 0.3767 0.4152 0.7049 0.7187 2.3254 2.3268 2.5823 2.6046 3.1817 3.1908 3.2441 3.2445 3.7963 3.8025 4.0731 4.0779 4.2015 4.2067 4.4756 4.4769 4.6556 4.6556 5.1998 5.2015 10.1597 10.1611 10.8875 10.9317 12.3680 12.3786 12.4539 12.4568 13.1720 13.1956 k =-0.2353 0.1381 0.0000 ( 4529 PWs) bands (ev): -13.2264 -13.2261 -12.5271 -12.5255 -11.4548 -11.4538 -9.4247 -9.4206 -9.1589 -9.1467 -8.9402 -8.9197 -4.0989 -4.0964 -3.0340 -3.0157 -2.9892 -2.9727 -0.8388 -0.8038 -0.3073 -0.2908 -0.0036 0.0083 0.3195 0.3587 0.6723 0.6858 2.3613 2.3626 2.5995 2.6234 3.1078 3.1187 3.2414 3.2418 3.7575 3.7643 4.0728 4.0775 4.1950 4.1999 4.4587 4.4599 4.6782 4.6783 5.2061 5.2078 10.2534 10.2549 10.8989 10.9437 12.3810 12.3941 12.4921 12.4976 13.1431 13.1657 k =-0.2500 0.1467 0.0000 ( 4539 PWs) bands (ev): -13.2005 -13.2002 -12.5282 -12.5265 -11.5033 -11.5023 -9.4195 -9.4156 -9.1558 -9.1432 -8.9415 -8.9205 -4.1129 -4.1102 -2.9913 -2.9722 -2.9208 -2.9030 -0.8425 -0.8056 -0.3254 -0.3082 0.0301 0.0441 0.2626 0.3020 0.6377 0.6505 2.3985 2.3995 2.6116 2.6369 3.0390 3.0515 3.2386 3.2391 3.7185 3.7258 4.0683 4.0728 4.1883 4.1929 4.4412 4.4424 4.7038 4.7039 5.2123 5.2141 10.3479 10.3496 10.9139 10.9593 12.3865 12.4006 12.5345 12.5409 13.1174 13.1390 k =-0.2647 0.1554 0.0000 ( 4543 PWs) bands (ev): -13.1732 -13.1729 -12.5293 -12.5276 -11.5527 -11.5518 -9.4147 -9.4108 -9.1523 -9.1392 -8.9434 -8.9220 -4.1255 -4.1227 -2.9492 -2.9297 -2.8503 -2.8315 -0.8449 -0.8062 -0.3435 -0.3258 0.0624 0.0800 0.2074 0.2456 0.6013 0.6131 2.4368 2.4374 2.6152 2.6411 2.9801 2.9936 3.2357 3.2363 3.6791 3.6869 4.0598 4.0641 4.1813 4.1857 4.4234 4.4246 4.7318 4.7319 5.2186 5.2204 10.4428 10.4447 10.9326 10.9783 12.3847 12.3994 12.5796 12.5860 13.0950 13.1155 k =-0.2794 0.1640 0.0000 ( 4539 PWs) bands (ev): -13.1448 -13.1444 -12.5304 -12.5287 -11.6027 -11.6018 -9.4101 -9.4063 -9.1483 -9.1347 -8.9459 -8.9241 -4.1369 -4.1341 -2.9077 -2.8880 -2.7784 -2.7588 -0.8457 -0.8052 -0.3614 -0.3433 0.0879 0.1152 0.1588 0.1900 0.5635 0.5737 2.4757 2.4759 2.6061 2.6302 2.9376 2.9502 3.2328 3.2334 3.6396 3.6479 4.0477 4.0518 4.1742 4.1783 4.4056 4.4067 4.7614 4.7615 5.2248 5.2266 10.5375 10.5397 10.9548 11.0007 12.3758 12.3910 12.6265 12.6325 13.0761 13.0954 k =-0.2941 0.1726 0.0000 ( 4539 PWs) bands (ev): -13.1152 -13.1148 -12.5314 -12.5298 -11.6531 -11.6524 -9.4058 -9.4022 -9.1437 -9.1297 -8.9488 -8.9267 -4.1471 -4.1442 -2.8670 -2.8472 -2.7058 -2.6854 -0.8448 -0.8023 -0.3789 -0.3606 0.0757 0.1300 0.1469 0.1542 0.5252 0.5329 2.5128 2.5157 2.5826 2.6004 2.9158 2.9249 3.2299 3.2305 3.6001 3.6088 4.0324 4.0364 4.1669 4.1709 4.3878 4.3889 4.7919 4.7921 5.2308 5.2325 10.6316 10.6339 10.9804 11.0265 12.3600 12.3759 12.6747 12.6801 13.0604 13.0785 k =-0.3088 0.1813 0.0000 ( 4541 PWs) bands (ev): -13.0845 -13.0842 -12.5324 -12.5308 -11.7038 -11.7031 -9.4019 -9.3985 -9.1387 -9.1243 -8.9523 -8.9300 -4.1562 -4.1533 -2.8273 -2.8076 -2.6330 -2.6120 -0.8417 -0.7974 -0.3958 -0.3774 0.0293 0.0789 0.1664 0.1828 0.4879 0.4919 2.5256 2.5511 2.5595 2.5689 2.9124 2.9169 3.2270 3.2276 3.5607 3.5699 4.0145 4.0183 4.1596 4.1633 4.3703 4.3713 4.8227 4.8230 5.2367 5.2383 10.7246 10.7271 11.0095 11.0555 12.3376 12.3544 12.7239 12.7285 13.0478 13.0647 k =-0.3235 0.1899 0.0000 ( 4529 PWs) bands (ev): -13.0529 -13.0526 -12.5333 -12.5318 -11.7543 -11.7537 -9.3983 -9.3950 -9.1332 -9.1184 -8.9563 -8.9339 -4.1641 -4.1613 -2.7888 -2.7694 -2.5607 -2.5391 -0.8361 -0.7899 -0.4120 -0.3938 -0.0207 0.0267 0.1837 0.2079 0.4535 0.4552 2.4825 2.4991 2.5969 2.6016 2.9212 2.9215 3.2242 3.2248 3.5217 3.5313 3.9943 3.9979 4.1522 4.1557 4.3534 4.3543 4.8533 4.8536 5.2423 5.2439 10.8159 10.8186 11.0418 11.0877 12.3090 12.3269 12.7736 12.7773 13.0380 13.0536 k =-0.3382 0.1985 0.0000 ( 4531 PWs) bands (ev): -13.0205 -13.0202 -12.5343 -12.5328 -11.8045 -11.8040 -9.3950 -9.3920 -9.1273 -9.1120 -8.9609 -8.9384 -4.1711 -4.1684 -2.7517 -2.7327 -2.4895 -2.4677 -0.8276 -0.7796 -0.4274 -0.4095 -0.0698 -0.0238 0.1883 0.2209 0.4238 0.4323 2.4288 2.4406 2.6371 2.6404 2.9337 2.9367 3.2215 3.2221 3.4834 3.4935 3.9723 3.9758 4.1449 4.1482 4.3371 4.3379 4.8831 4.8834 5.2476 5.2491 10.9050 10.9079 11.0772 11.1228 12.2747 12.2940 12.8236 12.8262 13.0307 13.0449 k =-0.3529 0.2072 0.0000 ( 4547 PWs) bands (ev): -12.9876 -12.9873 -12.5351 -12.5338 -11.8541 -11.8536 -9.3920 -9.3892 -9.1210 -9.1052 -8.9660 -8.9435 -4.1771 -4.1745 -2.7163 -2.6979 -2.4203 -2.3984 -0.8159 -0.7661 -0.4417 -0.4245 -0.1165 -0.0721 0.1741 0.2126 0.4113 0.4246 2.3737 2.3824 2.6769 2.6796 2.9502 2.9557 3.2188 3.2194 3.4460 3.4565 3.9490 3.9522 4.1378 4.1408 4.3216 4.3224 4.9116 4.9119 5.2526 5.2540 10.9913 10.9943 11.1155 11.1607 12.2355 12.2562 12.8732 12.8747 13.0252 13.0379 k =-0.3676 0.2158 0.0000 ( 4547 PWs) bands (ev): -12.9543 -12.9540 -12.5359 -12.5347 -11.9027 -11.9023 -9.3893 -9.3868 -9.1143 -9.0981 -8.9715 -8.9491 -4.1822 -4.1798 -2.6828 -2.6653 -2.3539 -2.3321 -0.8004 -0.7489 -0.4548 -0.4385 -0.1604 -0.1177 0.1410 0.1808 0.4180 0.4317 2.3201 2.3265 2.7159 2.7181 2.9691 2.9764 3.2164 3.2170 3.4098 3.4206 3.9248 3.9278 4.1309 4.1337 4.3072 4.3079 4.9385 4.9388 5.2572 5.2585 11.0742 11.0774 11.1566 11.2012 12.1919 12.2140 12.9220 12.9222 13.0209 13.0318 k =-0.3824 0.2244 0.0000 ( 4552 PWs) bands (ev): -12.9210 -12.9207 -12.5366 -12.5355 -11.9500 -11.9496 -9.3869 -9.3846 -9.1072 -9.0907 -8.9775 -8.9553 -4.1866 -4.1844 -2.6514 -2.6351 -2.2910 -2.2698 -0.7807 -0.7277 -0.4666 -0.4516 -0.2009 -0.1603 0.0942 0.1331 0.4363 0.4481 2.2697 2.2744 2.7535 2.7553 2.9890 2.9976 3.2141 3.2146 3.3750 3.3863 3.9003 3.9030 4.1243 4.1269 4.2939 4.2945 4.9634 4.9637 5.2615 5.2627 11.1529 11.1562 11.2003 11.2441 12.1447 12.1683 12.9675 12.9693 13.0167 13.0259 k =-0.3971 0.2331 0.0000 ( 4552 PWs) bands (ev): -12.8880 -12.8877 -12.5372 -12.5362 -11.9954 -11.9951 -9.3848 -9.3828 -9.0999 -9.0829 -8.9838 -8.9619 -4.1902 -4.1882 -2.6226 -2.6076 -2.2326 -2.2124 -0.7564 -0.7020 -0.4767 -0.4637 -0.2375 -0.1995 0.0387 0.0765 0.4590 0.4686 2.2236 2.2270 2.7893 2.7907 3.0093 3.0189 3.2120 3.2124 3.3420 3.3536 3.8760 3.8785 4.1183 4.1205 4.2819 4.2824 4.9860 4.9863 5.2653 5.2664 11.2264 11.2300 11.2464 11.2890 12.0946 12.1197 13.0045 13.0085 13.0170 13.0243 k =-0.4118 0.2417 0.0000 ( 4556 PWs) bands (ev): -12.8560 -12.8557 -12.5378 -12.5369 -12.0383 -12.0381 -9.3830 -9.3813 -9.0922 -9.0750 -8.9905 -8.9689 -4.1932 -4.1915 -2.5966 -2.5832 -2.1796 -2.1609 -0.7274 -0.6716 -0.4851 -0.4748 -0.2697 -0.2350 -0.0221 0.0149 0.4822 0.4899 2.1825 2.1849 2.8226 2.8237 3.0294 3.0397 3.2101 3.2105 3.3110 3.3229 3.8526 3.8548 4.1127 4.1147 4.2713 4.2717 5.0061 5.0064 5.2687 5.2696 11.2906 11.2977 11.2979 11.3355 12.0427 12.0690 13.0022 13.0030 13.0551 13.0572 k =-0.4265 0.2503 0.0000 ( 4554 PWs) bands (ev): -12.8256 -12.8254 -12.5383 -12.5375 -12.0781 -12.0779 -9.3815 -9.3800 -9.0844 -9.0670 -8.9974 -8.9762 -4.1956 -4.1941 -2.5738 -2.5621 -2.1328 -2.1161 -0.6934 -0.6362 -0.4912 -0.4847 -0.2972 -0.2665 -0.0861 -0.0496 0.5040 0.5101 2.1470 2.1486 2.8527 2.8535 3.0491 3.0598 3.2083 3.2086 3.2822 3.2943 3.8308 3.8327 4.1078 4.1095 4.2622 4.2625 5.0235 5.0238 5.2716 5.2724 11.3415 11.3568 11.3581 11.3831 11.9899 12.0170 12.9898 12.9906 13.0901 13.0951 k =-0.4412 0.2590 0.0000 ( 4564 PWs) bands (ev): -12.7978 -12.7976 -12.5386 -12.5380 -12.1135 -12.1134 -9.3802 -9.3790 -9.0765 -9.0592 -9.0042 -8.9839 -4.1974 -4.1962 -2.5543 -2.5447 -2.0930 -2.0788 -0.6550 -0.5960 -0.4946 -0.4936 -0.3195 -0.2937 -0.1517 -0.1155 0.5232 0.5279 2.1174 2.1185 2.8790 2.8795 3.0681 3.0790 3.2067 3.2070 3.2561 3.2680 3.8114 3.8130 4.1037 4.1051 4.2546 4.2549 5.0379 5.0381 5.2740 5.2747 11.3911 11.4092 11.4102 11.4304 11.9376 11.9649 12.9737 12.9759 13.1203 13.1275 k =-0.4559 0.2676 0.0000 ( 4560 PWs) bands (ev): -12.7738 -12.7736 -12.5389 -12.5384 -12.1435 -12.1434 -9.3792 -9.3783 -9.0686 -9.0518 -9.0107 -8.9917 -4.1987 -4.1978 -2.5386 -2.5312 -2.0608 -2.0496 -0.6137 -0.5517 -0.5010 -0.4938 -0.3363 -0.3162 -0.2173 -0.1815 0.5391 0.5425 2.0941 2.0948 2.9006 2.9008 3.0863 3.0969 3.2050 3.2053 3.2332 3.2445 3.7952 3.7964 4.1004 4.1015 4.2487 4.2489 5.0493 5.0495 5.2760 5.2764 11.4396 11.4523 11.4529 11.4752 11.8880 11.9143 12.9575 12.9601 13.1442 13.1529 k =-0.4706 0.2762 0.0000 ( 4560 PWs) bands (ev): -12.7550 -12.7549 -12.5391 -12.5388 -12.1666 -12.1666 -9.3784 -9.3778 -9.0608 -9.0460 -9.0158 -8.9995 -4.1996 -4.1990 -2.5267 -2.5217 -2.0368 -2.0291 -0.5737 -0.5166 -0.4948 -0.4852 -0.3476 -0.3342 -0.2806 -0.2460 0.5509 0.5531 2.0773 2.0777 2.9167 2.9168 3.1032 3.1126 3.2015 3.2029 3.2160 3.2248 3.7830 3.7839 4.0981 4.0988 4.2444 4.2445 5.0575 5.0576 5.2774 5.2777 11.4824 11.4847 11.4869 11.5140 11.8450 11.8677 12.9437 12.9460 13.1614 13.1695 k =-0.4853 0.2849 0.0000 ( 4564 PWs) bands (ev): -12.7430 -12.7429 -12.5392 -12.5390 -12.1813 -12.1812 -9.3779 -9.3776 -9.0534 -9.0441 -9.0171 -9.0070 -4.2001 -4.1998 -2.5190 -2.5165 -2.0214 -2.0175 -0.5441 -0.5198 -0.4613 -0.4494 -0.3575 -0.3488 -0.3331 -0.3054 0.5583 0.5594 2.0672 2.0674 2.9266 2.9267 3.1176 3.1240 3.1937 3.1976 3.2095 3.2125 3.7755 3.7759 4.0967 4.0971 4.2418 4.2419 5.0625 5.0625 5.2782 5.2784 11.5036 11.5042 11.5229 11.5400 11.8158 11.8301 12.9347 12.9360 13.1723 13.1770 k =-0.5000 0.2935 0.0000 ( 4576 PWs) bands (ev): -12.7388 -12.7388 -12.5391 -12.5391 -12.1863 -12.1863 -9.3776 -9.3776 -9.0473 -9.0473 -9.0135 -9.0135 -4.2001 -4.2001 -2.5156 -2.5156 -2.0149 -2.0149 -0.5286 -0.5286 -0.4287 -0.4287 -0.3690 -0.3690 -0.3404 -0.3404 0.5612 0.5612 2.0639 2.0639 2.9300 2.9300 3.1261 3.1261 3.1913 3.1913 3.2091 3.2091 3.7731 3.7731 4.0964 4.0964 4.2410 4.2410 5.0642 5.0642 5.2786 5.2786 11.5106 11.5106 11.5437 11.5437 11.8101 11.8101 12.9320 12.9320 13.1774 13.1774 k =-0.5000 0.2935 0.0000 ( 4576 PWs) bands (ev): -12.7388 -12.7388 -12.5391 -12.5391 -12.1863 -12.1863 -9.3776 -9.3776 -9.0473 -9.0473 -9.0135 -9.0135 -4.2001 -4.2001 -2.5156 -2.5156 -2.0149 -2.0149 -0.5286 -0.5286 -0.4287 -0.4287 -0.3690 -0.3690 -0.3404 -0.3404 0.5612 0.5612 2.0639 2.0639 2.9300 2.9300 3.1261 3.1261 3.1913 3.1913 3.2091 3.2091 3.7731 3.7731 4.0964 4.0964 4.2410 4.2410 5.0642 5.0642 5.2786 5.2786 11.5106 11.5106 11.5437 11.5437 11.8101 11.8101 12.9320 12.9320 13.1774 13.1774 k =-0.4914 0.3082-0.0000 ( 4564 PWs) bands (ev): -12.7391 -12.7390 -12.5393 -12.5393 -12.1853 -12.1852 -9.3878 -9.3819 -9.0474 -9.0449 -9.0113 -9.0048 -4.1999 -4.1997 -2.5212 -2.5204 -2.0079 -2.0043 -0.5695 -0.5197 -0.4409 -0.4329 -0.3744 -0.3535 -0.3345 -0.3189 0.5642 0.5651 2.0650 2.0654 2.9211 2.9330 3.1188 3.1329 3.1796 3.1927 3.2074 3.2199 3.7738 3.7755 4.0950 4.0956 4.2428 4.2433 5.0614 5.0626 5.2770 5.2785 11.5102 11.5126 11.5426 11.5439 11.8113 11.8124 12.9315 12.9320 13.1665 13.1806 k =-0.4828 0.3229-0.0000 ( 4560 PWs) bands (ev): -12.7398 -12.7397 -12.5398 -12.5397 -12.1822 -12.1820 -9.4103 -9.3998 -9.0454 -9.0414 -8.9990 -8.9861 -4.1989 -4.1986 -2.5360 -2.5346 -1.9842 -1.9773 -0.6222 -0.5534 -0.4547 -0.4462 -0.3653 -0.3596 -0.3097 -0.2657 0.5738 0.5757 2.0687 2.0694 2.9067 2.9296 3.1113 3.1384 3.1666 3.1810 3.2177 3.2309 3.7776 3.7809 4.0917 4.0928 4.2484 4.2494 5.0545 5.0568 5.2738 5.2768 11.5114 11.5159 11.5405 11.5433 11.8160 11.8183 12.9305 12.9314 13.1484 13.1762 k =-0.4741 0.3376-0.0000 ( 4562 PWs) bands (ev): -12.7412 -12.7410 -12.5405 -12.5405 -12.1770 -12.1768 -9.4422 -9.4287 -9.0420 -9.0370 -8.9784 -8.9604 -4.1972 -4.1968 -2.5573 -2.5558 -1.9464 -1.9365 -0.6789 -0.6053 -0.4709 -0.4666 -0.3693 -0.3673 -0.2634 -0.2077 0.5896 0.5921 2.0750 2.0760 2.8874 2.9194 3.1042 3.1421 3.1532 3.1675 3.2290 3.2419 3.7842 3.7892 4.0868 4.0884 4.2575 4.2591 5.0436 5.0468 5.2689 5.2732 11.5143 11.5204 11.5374 11.5422 11.8242 11.8279 12.9288 12.9302 13.1247 13.1650 k =-0.4655 0.3523-0.0000 ( 4556 PWs) bands (ev): -12.7430 -12.7428 -12.5415 -12.5415 -12.1697 -12.1695 -9.4806 -9.4653 -9.0377 -9.0317 -8.9524 -8.9306 -4.1949 -4.1944 -2.5823 -2.5810 -1.8974 -1.8850 -0.7369 -0.6619 -0.4938 -0.4935 -0.3809 -0.3754 -0.2090 -0.1485 0.6106 0.6135 2.0838 2.0851 2.8636 2.9023 3.0974 3.1367 3.1463 3.1532 3.2405 3.2530 3.7934 3.8000 4.0807 4.0827 4.2698 4.2720 5.0290 5.0330 5.2623 5.2677 11.5190 11.5252 11.5331 11.5413 11.8362 11.8411 12.9263 12.9282 13.0973 13.1479 k =-0.4569 0.3670-0.0000 ( 4564 PWs) bands (ev): -12.7455 -12.7452 -12.5428 -12.5427 -12.1603 -12.1600 -9.5233 -9.5072 -9.0322 -9.0252 -8.9235 -8.8988 -4.1920 -4.1913 -2.6090 -2.6081 -1.8398 -1.8250 -0.7950 -0.7195 -0.5272 -0.5225 -0.3942 -0.3869 -0.1519 -0.0892 0.6358 0.6389 2.0951 2.0968 2.8354 2.8788 3.0907 3.1221 3.1383 3.1461 3.2523 3.2642 3.8048 3.8128 4.0737 4.0762 4.2848 4.2876 5.0110 5.0156 5.2537 5.2601 11.5253 11.5271 11.5281 11.5439 11.8519 11.8582 12.9227 12.9252 13.0679 13.1262 k =-0.4483 0.3816-0.0000 ( 4558 PWs) bands (ev): -12.7485 -12.7482 -12.5442 -12.5441 -12.1489 -12.1485 -9.5690 -9.5526 -9.0257 -9.0175 -8.8935 -8.8666 -4.1885 -4.1877 -2.6357 -2.6354 -1.7754 -1.7583 -0.8524 -0.7768 -0.5655 -0.5568 -0.4092 -0.4008 -0.0939 -0.0301 0.6640 0.6670 2.1089 2.1109 2.8031 2.8493 3.0835 3.1067 3.1234 3.1443 3.2646 3.2759 3.8178 3.8273 4.0663 4.0691 4.3023 4.3058 4.9900 4.9949 5.2433 5.2504 11.5206 11.5242 11.5350 11.5520 11.8715 11.8792 12.9176 12.9207 13.0379 13.1014 k =-0.4396 0.3963-0.0000 ( 4550 PWs) bands (ev): -12.7522 -12.7518 -12.5458 -12.5457 -12.1354 -12.1350 -9.6167 -9.6003 -9.0179 -9.0087 -8.8636 -8.8350 -4.1844 -4.1836 -2.6617 -2.6614 -1.7058 -1.6863 -0.9083 -0.8330 -0.6079 -0.5954 -0.4262 -0.4170 -0.0358 0.0284 0.6942 0.6970 2.1251 2.1274 2.7669 2.8145 3.0753 3.0911 3.1086 3.1406 3.2774 3.2882 3.8321 3.8430 4.0587 4.0617 4.3221 4.3262 4.9663 4.9715 5.2308 5.2384 11.5123 11.5183 11.5463 11.5638 11.8951 11.9042 12.9102 12.9143 13.0084 13.0748 k =-0.4310 0.4110-0.0000 ( 4558 PWs) bands (ev): -12.7566 -12.7562 -12.5475 -12.5474 -12.1198 -12.1193 -9.6657 -9.6496 -9.0091 -8.9987 -8.8345 -8.8044 -4.1799 -4.1789 -2.6865 -2.6857 -1.6321 -1.6101 -0.9622 -0.8874 -0.6532 -0.6373 -0.4453 -0.4355 0.0219 0.0863 0.7255 0.7280 2.1436 2.1462 2.7269 2.7748 3.0657 3.0756 3.0942 3.1348 3.2908 3.3010 3.8472 3.8594 4.0509 4.0541 4.3440 4.3488 4.9403 4.9455 5.2163 5.2242 11.5024 11.5103 11.5604 11.5784 11.9228 11.9333 12.8997 12.9052 12.9805 13.0475 k =-0.4224 0.4257-0.0000 ( 4562 PWs) bands (ev): -12.7618 -12.7613 -12.5492 -12.5491 -12.1022 -12.1017 -9.7155 -9.6999 -8.9991 -8.9876 -8.8068 -8.7755 -4.1749 -4.1739 -2.7095 -2.7080 -1.5557 -1.5306 -1.0130 -0.9393 -0.7007 -0.6817 -0.4666 -0.4561 0.0792 0.1435 0.7570 0.7591 2.1644 2.1672 2.6832 2.7307 3.0546 3.0604 3.0805 3.1270 3.3049 3.3145 3.8629 3.8763 4.0430 4.0465 4.3680 4.3733 4.9123 4.9174 5.1998 5.2077 11.4908 11.5004 11.5773 11.5958 11.9545 11.9664 12.8849 12.8926 12.9548 13.0204 k =-0.4138 0.4404-0.0000 ( 4562 PWs) bands (ev): -12.7678 -12.7673 -12.5509 -12.5508 -12.0825 -12.0819 -9.7658 -9.7506 -8.9881 -8.9753 -8.7809 -8.7485 -4.1696 -4.1686 -2.7304 -2.7284 -1.4782 -1.4490 -1.0592 -0.9875 -0.7495 -0.7278 -0.4901 -0.4790 0.1358 0.1999 0.7881 0.7897 2.1873 2.1904 2.6362 2.6827 3.0422 3.0458 3.0672 3.1172 3.3197 3.3288 3.8787 3.8932 4.0353 4.0391 4.3938 4.3996 4.8827 4.8876 5.1813 5.1892 11.4774 11.4885 11.5974 11.6160 11.9902 12.0035 12.8651 12.8753 12.9312 12.9942 k =-0.4051 0.4551-0.0000 ( 4564 PWs) bands (ev): -12.7747 -12.7741 -12.5526 -12.5524 -12.0608 -12.0601 -9.8163 -9.8016 -8.9760 -8.9620 -8.7570 -8.7237 -4.1641 -4.1630 -2.7493 -2.7469 -1.4032 -1.3676 -1.0973 -1.0299 -0.7990 -0.7749 -0.5159 -0.5043 0.1917 0.2554 0.8180 0.8191 2.2123 2.2157 2.5859 2.6311 3.0291 3.0319 3.0539 3.1055 3.3352 3.3437 3.8944 3.9100 4.0279 4.0319 4.4212 4.4276 4.8518 4.8564 5.1610 5.1687 11.4619 11.4745 11.6208 11.6394 12.0299 12.0446 12.8403 12.8525 12.9085 12.9689 k =-0.3965 0.4698-0.0000 ( 4556 PWs) bands (ev): -12.7824 -12.7818 -12.5541 -12.5539 -12.0371 -12.0363 -9.8666 -9.8525 -8.9628 -8.9477 -8.7353 -8.7011 -4.1584 -4.1573 -2.7664 -2.7636 -1.3400 -1.2920 -1.1182 -1.0608 -0.8485 -0.8224 -0.5441 -0.5318 0.2469 0.3102 0.8462 0.8469 2.2392 2.2427 2.5327 2.5764 3.0155 3.0191 3.0404 3.0919 3.3512 3.3592 3.9096 3.9265 4.0209 4.0252 4.4502 4.4570 4.8200 4.8241 5.1390 5.1464 11.4445 11.4583 11.6476 11.6660 12.0734 12.0895 12.8108 12.8238 12.8856 12.9448 k =-0.3879 0.4845-0.0000 ( 4554 PWs) bands (ev): -12.7911 -12.7905 -12.5555 -12.5553 -12.0113 -12.0105 -9.9167 -9.9032 -8.9487 -8.9325 -8.7159 -8.6810 -4.1527 -4.1516 -2.7820 -2.7789 -1.3078 -1.2394 -1.1030 -1.0627 -0.8969 -0.8698 -0.5747 -0.5618 0.3014 0.3642 0.8721 0.8724 2.2679 2.2714 2.4771 2.5189 3.0015 3.0075 3.0270 3.0765 3.3677 3.3752 3.9240 3.9421 4.0145 4.0194 4.4806 4.4876 4.7874 4.7910 5.1154 5.1225 11.4248 11.4398 11.6780 11.6960 12.1206 12.1381 12.7769 12.7895 12.8630 12.9220 k =-0.3793 0.4992-0.0000 ( 4558 PWs) bands (ev): -12.8008 -12.8001 -12.5566 -12.5565 -11.9836 -11.9826 -9.9663 -9.9533 -8.9337 -8.9163 -8.6988 -8.6634 -4.1471 -4.1460 -2.7964 -2.7930 -1.3118 -1.2306 -1.0493 -1.0151 -0.9411 -0.9165 -0.6076 -0.5941 0.3553 0.4174 0.8953 0.8954 2.2980 2.3007 2.4200 2.4593 2.9865 2.9973 3.0142 3.0594 3.3846 3.3915 3.9371 3.9565 4.0094 4.0149 4.5120 4.5193 4.7545 4.7575 5.0905 5.0971 11.4029 11.4189 11.7120 11.7294 12.1712 12.1903 12.7387 12.7504 12.8421 12.9009 k =-0.3706 0.5139-0.0000 ( 4550 PWs) bands (ev): -12.8114 -12.8107 -12.5575 -12.5574 -11.9539 -11.9528 -10.0152 -10.0028 -8.9178 -8.8993 -8.6842 -8.6483 -4.1416 -4.1405 -2.8099 -2.8064 -1.3319 -1.2476 -1.0156 -0.9627 -0.9419 -0.9349 -0.6429 -0.6289 0.4085 0.4700 0.9152 0.9154 2.3237 2.3282 2.3690 2.3994 2.9699 2.9886 3.0029 3.0404 3.4018 3.4081 3.9480 3.9682 4.0071 4.0127 4.5443 4.5518 4.7214 4.7238 5.0645 5.0706 11.3789 11.3957 11.7496 11.7662 12.2248 12.2457 12.6964 12.7074 12.8241 12.8819 k =-0.3620 0.5286-0.0000 ( 4544 PWs) bands (ev): -12.8230 -12.8223 -12.5582 -12.5581 -11.9222 -11.9210 -10.0634 -10.0515 -8.9012 -8.8815 -8.6719 -8.6357 -4.1364 -4.1354 -2.8232 -2.8195 -1.3552 -1.2704 -1.0509 -1.0070 -0.8630 -0.8434 -0.6804 -0.6661 0.4612 0.5221 0.9316 0.9318 2.2881 2.3252 2.3723 2.3763 2.9511 2.9815 2.9937 3.0198 3.4190 3.4247 3.9556 3.9746 4.0103 4.0141 4.5772 4.5848 4.6884 4.6902 5.0377 5.0431 11.3526 11.3700 11.7906 11.8063 12.2809 12.3039 12.6508 12.6611 12.8100 12.8657 k =-0.3534 0.5433-0.0000 ( 4555 PWs) bands (ev): -12.8355 -12.8348 -12.5587 -12.5585 -11.8885 -11.8872 -10.1106 -10.0993 -8.8839 -8.8630 -8.6621 -8.6256 -4.1317 -4.1307 -2.8366 -2.8327 -1.3767 -1.2919 -1.0936 -1.0497 -0.7722 -0.7465 -0.7182 -0.7056 0.5134 0.5737 0.9441 0.9442 2.2272 2.2648 2.4031 2.4090 2.9301 2.9762 2.9868 2.9975 3.4361 3.4412 3.9591 3.9753 4.0195 4.0198 4.6104 4.6181 4.6557 4.6570 5.0101 5.0150 11.3241 11.3420 11.8350 11.8495 12.3385 12.3643 12.6027 12.6120 12.8004 12.8529 k =-0.3448 0.5580-0.0000 ( 4551 PWs) bands (ev): -12.8490 -12.8483 -12.5589 -12.5587 -11.8529 -11.8515 -10.1569 -10.1462 -8.8659 -8.8439 -8.6545 -8.6178 -4.1275 -4.1266 -2.8507 -2.8466 -1.3944 -1.3099 -1.1355 -1.0904 -0.7664 -0.7479 -0.6691 -0.6462 0.5652 0.6249 0.9523 0.9525 2.1637 2.2000 2.4388 2.4448 2.9070 2.9714 2.9749 2.9822 3.4528 3.4573 3.9594 3.9732 4.0291 4.0319 4.6236 4.6241 4.6440 4.6515 4.9822 4.9864 11.2935 11.3117 11.8823 11.8955 12.3959 12.4260 12.5533 12.5606 12.7967 12.8447 k =-0.3361 0.5727-0.0000 ( 4545 PWs) bands (ev): -12.8634 -12.8626 -12.5588 -12.5587 -11.8154 -11.8139 -10.2022 -10.1919 -8.8475 -8.8243 -8.6492 -8.6124 -4.1241 -4.1232 -2.8659 -2.8616 -1.4073 -1.3231 -1.1754 -1.1287 -0.8105 -0.7923 -0.5702 -0.5443 0.6167 0.6758 0.9556 0.9562 2.0995 2.1346 2.4762 2.4822 2.8821 2.9474 2.9718 2.9799 3.4690 3.4728 3.9581 3.9707 4.0407 4.0455 4.5922 4.5922 4.6772 4.6848 4.9542 4.9577 11.2608 11.2793 11.9321 11.9438 12.4448 12.4863 12.5083 12.5094 12.8004 12.8384 k =-0.3361 0.5727-0.0000 ( 4545 PWs) bands (ev): -12.8634 -12.8626 -12.5588 -12.5587 -11.8154 -11.8139 -10.2022 -10.1919 -8.8475 -8.8243 -8.6492 -8.6124 -4.1241 -4.1232 -2.8659 -2.8616 -1.4073 -1.3231 -1.1754 -1.1287 -0.8105 -0.7923 -0.5702 -0.5443 0.6167 0.6758 0.9556 0.9562 2.0995 2.1346 2.4762 2.4822 2.8821 2.9474 2.9718 2.9799 3.4690 3.4728 3.9581 3.9707 4.0407 4.0455 4.5922 4.5922 4.6772 4.6848 4.9542 4.9577 11.2608 11.2793 11.9321 11.9438 12.4448 12.4863 12.5083 12.5094 12.8004 12.8384 k =-0.3361 0.5727 0.0169 ( 4543 PWs) bands (ev): -12.8631 -12.8623 -12.5589 -12.5588 -11.8143 -11.8128 -10.2016 -10.1913 -8.8507 -8.8276 -8.6505 -8.6138 -4.1204 -4.1196 -2.8677 -2.8633 -1.4019 -1.3178 -1.1735 -1.1268 -0.8117 -0.7935 -0.5761 -0.5508 0.6214 0.6799 0.9563 0.9568 2.0975 2.1323 2.4766 2.4827 2.8820 2.9468 2.9707 2.9787 3.4702 3.4739 3.9570 3.9694 4.0423 4.0472 4.5917 4.5917 4.6775 4.6850 4.9536 4.9571 11.2598 11.2782 11.9269 11.9379 12.4405 12.4823 12.4991 12.5002 12.8115 12.8475 k =-0.3361 0.5727 0.0338 ( 4546 PWs) bands (ev): -12.8623 -12.8615 -12.5591 -12.5590 -11.8111 -11.8096 -10.2000 -10.1898 -8.8603 -8.8374 -8.6545 -8.6180 -4.1096 -4.1090 -2.8730 -2.8685 -1.3858 -1.3019 -1.1676 -1.1212 -0.8153 -0.7970 -0.5935 -0.5696 0.6352 0.6920 0.9581 0.9586 2.0917 2.1254 2.4780 2.4839 2.8816 2.9449 2.9675 2.9752 3.4736 3.4772 3.9540 3.9661 4.0467 4.0518 4.5903 4.5904 4.6783 4.6858 4.9518 4.9554 11.2565 11.2749 11.9117 11.9210 12.4273 12.4628 12.4772 12.4830 12.8422 12.8720 k =-0.3361 0.5727 0.0508 ( 4546 PWs) bands (ev): -12.8609 -12.8601 -12.5595 -12.5593 -11.8057 -11.8042 -10.1973 -10.1871 -8.8762 -8.8536 -8.6611 -8.6249 -4.0918 -4.0915 -2.8815 -2.8767 -1.3594 -1.2760 -1.1579 -1.1119 -0.8213 -0.8028 -0.6215 -0.5999 0.6569 0.7113 0.9612 0.9616 2.0821 2.1142 2.4801 2.4859 2.8808 2.9417 2.9627 2.9698 3.4792 3.4826 3.9497 3.9612 4.0535 4.0589 4.5881 4.5881 4.6797 4.6871 4.9488 4.9525 11.2513 11.2695 11.8881 11.8948 12.4004 12.4221 12.4538 12.4738 12.8843 12.9099 k =-0.3361 0.5727 0.0677 ( 4547 PWs) bands (ev): -12.8590 -12.8582 -12.5600 -12.5599 -11.7982 -11.7967 -10.1935 -10.1834 -8.8982 -8.8759 -8.6703 -8.6344 -4.0674 -4.0671 -2.8926 -2.8875 -1.3235 -1.2405 -1.1445 -1.0992 -0.8296 -0.8106 -0.6588 -0.6400 0.6852 0.7365 0.9656 0.9657 2.0690 2.0987 2.4827 2.4884 2.8793 2.9369 2.9565 2.9628 3.4868 3.4898 3.9445 3.9555 4.0619 4.0675 4.5849 4.5849 4.6814 4.6888 4.9446 4.9483 11.2442 11.2622 11.8583 11.8617 12.3566 12.3711 12.4404 12.4675 12.9252 12.9518 k =-0.3361 0.5727 0.0846 ( 4545 PWs) bands (ev): -12.8566 -12.8558 -12.5606 -12.5605 -11.7885 -11.7870 -10.1886 -10.1786 -8.9260 -8.9042 -8.6820 -8.6467 -4.0368 -4.0359 -2.9056 -2.9002 -1.2789 -1.1964 -1.1274 -1.0833 -0.8399 -0.8201 -0.7038 -0.6883 0.7184 0.7664 0.9711 0.9712 2.0525 2.0795 2.4856 2.4911 2.8768 2.9304 2.9496 2.9549 3.4962 3.4988 3.9388 3.9493 4.0716 4.0773 4.5808 4.5809 4.6835 4.6907 4.9392 4.9429 11.2354 11.2532 11.8243 11.8245 12.3026 12.3142 12.4344 12.4641 12.9616 12.9857 k =-0.3361 0.5727 0.1015 ( 4544 PWs) bands (ev): -12.8536 -12.8528 -12.5614 -12.5614 -11.7766 -11.7752 -10.1826 -10.1727 -8.9594 -8.9381 -8.6962 -8.6615 -4.0001 -3.9985 -2.9199 -2.9143 -1.2268 -1.1446 -1.1071 -1.0649 -0.8522 -0.8307 -0.7547 -0.7429 0.7550 0.7994 0.9777 0.9781 2.0329 2.0569 2.4885 2.4937 2.8731 2.9219 2.9425 2.9467 3.5071 3.5094 3.9331 3.9431 4.0821 4.0877 4.5758 4.5759 4.6858 4.6929 4.9324 4.9362 11.2254 11.2429 11.7852 11.7890 12.2436 12.2537 12.4331 12.4636 12.9947 13.0171 k =-0.3361 0.5727 0.1184 ( 4541 PWs) bands (ev): -12.8502 -12.8494 -12.5624 -12.5623 -11.7626 -11.7613 -10.1755 -10.1658 -8.9979 -8.9773 -8.7129 -8.6788 -3.9579 -3.9555 -2.9349 -2.9290 -1.1692 -1.0871 -1.0839 -1.0450 -0.8667 -0.8414 -0.8085 -0.8014 0.7936 0.8345 0.9854 0.9862 2.0105 2.0313 2.4908 2.4956 2.8676 2.9115 2.9357 2.9387 3.5195 3.5213 3.9274 3.9370 4.0931 4.0986 4.5700 4.5702 4.6882 4.6950 4.9242 4.9281 11.2143 11.2315 11.7463 11.7536 12.1818 12.1911 12.4353 12.4661 13.0239 13.0449 k =-0.3361 0.5727 0.1353 ( 4537 PWs) bands (ev): -12.8462 -12.8454 -12.5635 -12.5635 -11.7465 -11.7453 -10.1673 -10.1578 -9.0413 -9.0213 -8.7318 -8.6986 -3.9104 -3.9071 -2.9498 -2.9438 -1.1108 -1.0576 -1.0322 -1.0220 -0.8901 -0.8616 -0.8536 -0.8471 0.8331 0.8705 0.9944 0.9955 1.9857 2.0030 2.4920 2.4964 2.8602 2.8990 2.9296 2.9318 3.5330 3.5345 3.9219 3.9310 4.1044 4.1097 4.5633 4.5636 4.6903 4.6969 4.9146 4.9185 11.2024 11.2194 11.7092 11.7200 12.1187 12.1275 12.4404 12.4711 13.0482 13.0676 k =-0.3361 0.5727 0.1523 ( 4541 PWs) bands (ev): -12.8418 -12.8410 -12.5648 -12.5648 -11.7282 -11.7271 -10.1580 -10.1486 -9.0891 -9.0697 -8.7530 -8.7206 -3.8581 -3.8539 -2.9640 -2.9580 -1.0696 -1.0234 -1.0172 -0.9888 -0.9307 -0.8920 -0.8685 -0.8489 0.8726 0.9065 1.0046 1.0062 1.9587 1.9726 2.4918 2.4957 2.8506 2.8840 2.9249 2.9264 3.5476 3.5487 3.9167 3.9254 4.1158 4.1209 4.5558 4.5562 4.6922 4.6985 4.9036 4.9075 11.1902 11.2068 11.6754 11.6893 12.0554 12.0640 12.4480 12.4786 13.0666 13.0843 k =-0.3361 0.5727 0.1692 ( 4553 PWs) bands (ev): -12.8370 -12.8361 -12.5663 -12.5663 -11.7079 -11.7068 -10.1475 -10.1384 -9.1408 -9.1222 -8.7763 -8.7449 -3.8017 -3.7965 -2.9772 -2.9713 -1.0700 -1.0382 -1.0134 -1.0057 -0.9260 -0.8587 -0.8471 -0.8359 0.9112 0.9418 1.0160 1.0180 1.9298 1.9402 2.4897 2.4931 2.8384 2.8663 2.9222 2.9230 3.5631 3.5639 3.9118 3.9201 4.1272 4.1319 4.5476 4.5481 4.6934 4.6995 4.8911 4.8950 11.1779 11.1941 11.6457 11.6627 11.9927 12.0012 12.4577 12.4881 13.0784 13.0941 k =-0.3361 0.5727 0.1861 ( 4551 PWs) bands (ev): -12.8317 -12.8308 -12.5680 -12.5680 -11.6854 -11.6844 -10.1360 -10.1271 -9.1962 -9.1784 -8.8016 -8.7712 -3.7414 -3.7352 -2.9888 -2.9831 -1.1162 -1.1021 -1.0290 -1.0189 -0.8785 -0.8163 -0.8130 -0.7688 0.9484 0.9758 1.0287 1.0312 1.8992 1.9063 2.4854 2.4883 2.8233 2.8455 2.9219 2.9220 3.5795 3.5800 3.9073 3.9151 4.1385 4.1428 4.5387 4.5394 4.6940 4.6998 4.8771 4.8810 11.1659 11.1817 11.6209 11.6408 11.9315 11.9401 12.4694 12.4997 13.0827 13.0965 k =-0.3361 0.5727 0.2030 ( 4553 PWs) bands (ev): -12.8260 -12.8251 -12.5699 -12.5699 -11.6608 -11.6599 -10.1232 -10.1146 -9.2548 -9.2377 -8.8288 -8.7995 -3.6778 -3.6707 -2.9985 -2.9931 -1.1817 -1.1740 -1.0489 -1.0396 -0.8335 -0.7758 -0.7440 -0.6854 0.9837 1.0077 1.0429 1.0456 1.8673 1.8711 2.4789 2.4813 2.8051 2.8213 2.9233 2.9239 3.5967 3.5970 3.9032 3.9107 4.1495 4.1533 4.5293 4.5302 4.6936 4.6991 4.8617 4.8655 11.1544 11.1698 11.6016 11.6243 11.8726 11.8814 12.4828 12.5130 13.0792 13.0909 k =-0.3361 0.5727 0.2199 ( 4546 PWs) bands (ev): -12.8199 -12.8191 -12.5720 -12.5719 -11.6341 -11.6334 -10.1094 -10.1011 -9.3161 -9.2998 -8.8577 -8.8295 -3.6114 -3.6033 -3.0060 -3.0010 -1.2526 -1.2484 -1.0751 -1.0669 -0.7853 -0.7303 -0.6593 -0.5975 1.0167 1.0368 1.0590 1.0614 1.8342 1.8349 2.4704 2.4724 2.7833 2.7934 2.9269 2.9280 3.6147 3.6147 3.8997 3.9067 4.1601 4.1635 4.5194 4.5206 4.6921 4.6973 4.8448 4.8485 11.1438 11.1586 11.5882 11.6135 11.8167 11.8257 12.4977 12.5279 13.0677 13.0775 k =-0.3361 0.5727 0.2369 ( 4544 PWs) bands (ev): -12.8135 -12.8126 -12.5743 -12.5742 -11.6054 -11.6048 -10.0943 -10.0863 -9.3799 -9.3643 -8.8882 -8.8613 -3.5425 -3.5335 -3.0111 -3.0065 -1.3257 -1.3239 -1.1063 -1.0989 -0.7317 -0.6784 -0.5692 -0.5065 1.0471 1.0619 1.0781 1.0786 1.7979 1.8001 2.4603 2.4619 2.7579 2.7619 2.9321 2.9335 3.6331 3.6333 3.8968 3.9034 4.1702 4.1731 4.5091 4.5107 4.6892 4.6941 4.8266 4.8300 11.1343 11.1485 11.5810 11.6087 11.7646 11.7736 12.5140 12.5443 13.0484 13.0564 k =-0.3361 0.5727 0.2538 ( 4542 PWs) bands (ev): -12.8067 -12.8059 -12.5768 -12.5767 -11.5746 -11.5741 -10.0781 -10.0705 -9.4457 -9.4310 -8.9203 -8.8945 -3.4717 -3.4618 -3.0137 -3.0096 -1.3998 -1.3998 -1.1414 -1.1348 -0.6730 -0.6211 -0.4759 -0.4132 1.0747 1.0828 1.0972 1.1000 1.7601 1.7651 2.4491 2.4504 2.7265 2.7286 2.9383 2.9398 3.6522 3.6526 3.8945 3.9006 4.1797 4.1822 4.4987 4.5006 4.6850 4.6895 4.8072 4.8104 11.1262 11.1396 11.5800 11.6101 11.7167 11.7259 12.5314 12.5618 13.0218 13.0282 k =-0.3361 0.5727 0.2707 ( 4540 PWs) bands (ev): -12.7997 -12.7988 -12.5796 -12.5794 -11.5417 -11.5414 -10.0607 -10.0535 -9.5133 -9.4993 -8.9536 -8.9291 -3.3993 -3.3886 -3.0135 -3.0100 -1.4757 -1.4742 -1.1798 -1.1739 -0.6097 -0.5592 -0.3806 -0.3185 1.0996 1.1022 1.1170 1.1219 1.7218 1.7293 2.4374 2.4384 2.6872 2.6953 2.9447 2.9461 3.6718 3.6724 3.8930 3.8987 4.1887 4.1907 4.4883 4.4906 4.6791 4.6833 4.7867 4.7895 11.1198 11.1323 11.5851 11.6177 11.6741 11.6829 12.5496 12.5803 12.9885 12.9937 k =-0.3361 0.5727 0.2876 ( 4544 PWs) bands (ev): -12.7924 -12.7915 -12.5825 -12.5823 -11.5068 -11.5067 -10.0422 -10.0353 -9.5823 -9.5690 -8.9882 -8.9649 -3.3256 -3.3141 -3.0105 -3.0076 -1.5512 -1.5485 -1.2209 -1.2158 -0.5421 -0.4930 -0.2840 -0.2228 1.1216 1.1225 1.1371 1.1421 1.6831 1.6928 2.4258 2.4266 2.6439 2.6581 2.9504 2.9516 3.6919 3.6927 3.8924 3.8976 4.1970 4.1987 4.4780 4.4807 4.6716 4.6753 4.7653 4.7677 11.1153 11.1268 11.5948 11.6300 11.6384 11.6465 12.5684 12.5994 12.9496 12.9537 k =-0.3361 0.5727 0.3045 ( 4547 PWs) bands (ev): -12.7849 -12.7840 -12.5858 -12.5855 -11.4699 -11.4699 -10.0224 -10.0160 -9.6524 -9.6399 -9.0238 -9.0018 -3.2510 -3.2388 -3.0046 -3.0023 -1.6263 -1.6225 -1.2647 -1.2603 -0.4704 -0.4229 -0.1869 -0.1267 1.1414 1.1437 1.1569 1.1601 1.6440 1.6556 2.4151 2.4155 2.5968 2.6168 2.9548 2.9555 3.7123 3.7132 3.8928 3.8975 4.2047 4.2060 4.4680 4.4711 4.6624 4.6657 4.7432 4.7451 11.1130 11.1233 11.5932 11.6106 11.6256 11.6530 12.5872 12.6187 12.9060 12.9093 k =-0.3361 0.5727 0.3214 ( 4551 PWs) bands (ev): -12.7772 -12.7763 -12.5892 -12.5890 -11.4312 -11.4311 -10.0015 -9.9956 -9.7234 -9.7116 -9.0603 -9.0396 -3.1758 -3.1630 -2.9958 -2.9940 -1.7005 -1.6958 -1.3107 -1.3073 -0.3951 -0.3493 -0.0899 -0.0309 1.1609 1.1626 1.1764 1.1770 1.6046 1.6178 2.4057 2.4058 2.5459 2.5717 2.9571 2.9571 3.7328 3.7339 3.8942 3.8983 4.2119 4.2129 4.4584 4.4620 4.6515 4.6542 4.7206 4.7219 11.1132 11.1221 11.5705 11.5835 11.6455 11.6786 12.6055 12.6377 12.8588 12.8615 k =-0.3361 0.5727 0.3384 ( 4556 PWs) bands (ev): -12.7693 -12.7684 -12.5930 -12.5927 -11.3906 -11.3902 -9.9794 -9.9740 -9.7950 -9.7838 -9.0975 -9.0781 -3.1003 -3.0868 -2.9840 -2.9827 -1.7737 -1.7684 -1.3590 -1.3564 -0.3163 -0.2726 0.0066 0.0642 1.1776 1.1778 1.1931 1.1985 1.5652 1.5795 2.3980 2.3983 2.4916 2.5227 2.9559 2.9566 3.7531 3.7545 3.8968 3.9003 4.2185 4.2194 4.4495 4.4536 4.6389 4.6410 4.6976 4.6984 11.1162 11.1236 11.5494 11.5612 11.6750 11.7102 12.6226 12.6557 12.8093 12.8114 k =-0.3361 0.5727 0.3553 ( 4552 PWs) bands (ev): -12.7613 -12.7604 -12.5969 -12.5966 -11.3480 -11.3474 -9.9562 -9.9513 -9.8668 -9.8564 -9.1354 -9.1173 -3.0252 -3.0106 -2.9692 -2.9679 -1.8458 -1.8398 -1.4093 -1.4076 -0.2344 -0.1929 0.1019 0.1579 1.1886 1.1889 1.2131 1.2211 1.5261 1.5406 2.3920 2.3936 2.4346 2.4702 2.9513 2.9528 3.7730 3.7746 3.9005 3.9035 4.2249 4.2256 4.4414 4.4459 4.6247 4.6262 4.6746 4.6749 11.1222 11.1280 11.5327 11.5439 11.7106 11.7470 12.6374 12.6719 12.7587 12.7601 k =-0.3361 0.5727 0.3722 ( 4552 PWs) bands (ev): -12.7531 -12.7522 -12.6012 -12.6008 -11.3035 -11.3027 -9.9408 -9.9354 -9.9256 -9.9255 -9.1738 -9.1569 -2.9595 -2.9518 -2.9406 -2.9342 -1.9167 -1.9101 -1.4615 -1.4608 -0.1497 -0.1107 0.1954 0.2497 1.1949 1.1957 1.2350 1.2433 1.4883 1.5016 2.3687 2.3913 2.3951 2.4150 2.9429 2.9454 3.7921 3.7940 3.9055 3.9077 4.2311 4.2319 4.4343 4.4392 4.6089 4.6097 4.6514 4.6517 11.1316 11.1357 11.5204 11.5310 11.7514 11.7888 12.6474 12.6845 12.7094 12.7099 k =-0.3361 0.5727 0.3891 ( 4552 PWs) bands (ev): -12.7449 -12.7440 -12.6057 -12.6053 -11.2572 -11.2561 -10.0116 -10.0024 -9.9055 -9.9019 -9.2125 -9.1969 -2.9338 -2.9310 -2.8707 -2.8585 -1.9860 -1.9791 -1.5158 -1.5156 -0.0627 -0.0265 0.2867 0.3390 1.1967 1.1989 1.2565 1.2628 1.4539 1.4634 2.3074 2.3545 2.3944 2.3950 2.9306 2.9340 3.8101 3.8124 3.9114 3.9129 4.2375 4.2384 4.4283 4.4336 4.5917 4.5918 4.6283 4.6291 11.1445 11.1469 11.5120 11.5220 11.7970 11.8351 12.6391 12.6569 12.6762 12.6960 k =-0.3361 0.5727 0.4060 ( 4556 PWs) bands (ev): -12.7367 -12.7358 -12.6105 -12.6101 -11.2090 -11.2077 -10.0834 -10.0749 -9.8788 -9.8757 -9.2514 -9.2371 -2.9103 -2.9075 -2.7959 -2.7831 -2.0539 -2.0466 -1.5725 -1.5714 0.0264 0.0594 0.3751 0.4254 1.1946 1.1982 1.2738 1.2742 1.4284 1.4289 2.2421 2.2934 2.3995 2.4007 2.9142 2.9186 3.8269 3.8294 3.9181 3.9188 4.2444 4.2457 4.4235 4.4291 4.5726 4.5733 4.6057 4.6071 11.1609 11.1618 11.5067 11.5161 11.8468 11.8853 12.5992 12.6090 12.6710 12.6999 k =-0.3361 0.5727 0.4229 ( 4555 PWs) bands (ev): -12.7285 -12.7276 -12.6156 -12.6151 -11.1590 -11.1574 -10.1550 -10.1470 -9.8508 -9.8484 -9.2904 -9.2773 -2.8844 -2.8810 -2.7211 -2.7082 -2.1200 -2.1126 -1.6308 -1.6287 0.1170 0.1465 0.4602 0.5083 1.1884 1.1930 1.2673 1.2795 1.4064 1.4211 2.1751 2.2301 2.4091 2.4109 2.8938 2.8991 3.8423 3.8452 3.9248 3.9251 4.2523 4.2539 4.4201 4.4260 4.5523 4.5538 4.5839 4.5857 11.1804 11.1810 11.5035 11.5123 11.9002 11.9390 12.5553 12.5642 12.6667 12.6978 k =-0.3361 0.5727 0.4399 ( 4557 PWs) bands (ev): -12.7203 -12.7194 -12.6209 -12.6204 -11.1072 -11.1054 -10.2261 -10.2186 -9.8217 -9.8200 -9.3294 -9.3175 -2.8556 -2.8518 -2.6467 -2.6339 -2.1844 -2.1768 -1.6906 -1.6876 0.2086 0.2343 0.5415 0.5873 1.1780 1.1826 1.2413 1.2612 1.4069 1.4343 2.1073 2.1653 2.4230 2.4256 2.8694 2.8756 3.8564 3.8596 3.9305 3.9318 4.2614 4.2636 4.4182 4.4243 4.5311 4.5333 4.5628 4.5653 11.2025 11.2045 11.5011 11.5094 11.9566 11.9955 12.5150 12.5242 12.6562 12.6883 k =-0.3361 0.5727 0.4568 ( 4563 PWs) bands (ev): -12.7121 -12.7112 -12.6266 -12.6260 -11.0537 -11.0516 -10.2965 -10.2895 -9.7914 -9.7905 -9.3682 -9.3575 -2.8241 -2.8197 -2.5730 -2.5604 -2.2469 -2.2393 -1.7519 -1.7479 0.3007 0.3222 0.6186 0.6620 1.1631 1.1642 1.2054 1.2228 1.4268 1.4608 2.0394 2.0997 2.4413 2.4447 2.8415 2.8483 3.8693 3.8728 3.9352 3.9374 4.2721 4.2749 4.4178 4.4241 4.5093 4.5121 4.5428 4.5458 11.2280 11.2312 11.4984 11.5061 12.0154 12.0544 12.4806 12.4907 12.6380 12.6708 k =-0.3361 0.5727 0.4737 ( 4563 PWs) bands (ev): -12.7040 -12.7032 -12.6324 -12.6319 -10.9985 -10.9961 -10.3661 -10.3597 -9.7601 -9.7599 -9.4068 -9.3973 -2.7898 -2.7849 -2.5000 -2.4876 -2.3073 -2.2998 -1.8145 -1.8096 0.3927 0.4096 0.6910 0.7321 1.1307 1.1426 1.1725 1.1745 1.4565 1.4948 1.9723 2.0340 2.4639 2.4682 2.8103 2.8178 3.8812 3.8850 3.9385 3.9415 4.2848 4.2881 4.4190 4.4255 4.4869 4.4903 4.5239 4.5275 11.2563 11.2605 11.4938 11.5011 12.0758 12.1149 12.4539 12.4652 12.6117 12.6453 k =-0.3361 0.5727 0.4906 ( 4553 PWs) bands (ev): -12.6960 -12.6952 -12.6386 -12.6380 -10.9416 -10.9389 -10.4349 -10.4289 -9.7283 -9.7277 -9.4451 -9.4367 -2.7529 -2.7475 -2.4288 -2.4163 -2.3646 -2.3577 -1.8783 -1.8725 0.4838 0.4960 0.7585 0.7973 1.0815 1.1076 1.1294 1.1453 1.4918 1.5338 1.9066 1.9689 2.4904 2.4956 2.7764 2.7843 3.8921 3.8962 3.9399 3.9437 4.2994 4.3032 4.4219 4.4284 4.4643 4.4682 4.5063 4.5105 11.2867 11.2917 11.4861 11.4931 12.1372 12.1764 12.4364 12.4492 12.5775 12.6119 k =-0.3361 0.5727 0.5075 ( 4554 PWs) bands (ev): -12.6882 -12.6874 -12.6450 -12.6443 -10.8832 -10.8801 -10.5026 -10.4971 -9.6958 -9.6943 -9.4829 -9.4755 -2.7133 -2.7074 -2.4246 -2.4161 -2.3535 -2.3433 -1.9433 -1.9367 0.5735 0.5806 0.8205 0.8573 1.0240 1.0498 1.0974 1.1173 1.5312 1.5769 1.8432 1.9051 2.5206 2.5266 2.7404 2.7486 3.9022 3.9066 3.9394 3.9437 4.3159 4.3201 4.4264 4.4329 4.4417 4.4459 4.4901 4.4948 11.3185 11.3241 11.4743 11.4810 12.1988 12.2383 12.4291 12.4439 12.5368 12.5716 k =-0.3361 0.5727 0.5245 ( 4556 PWs) bands (ev): -12.6805 -12.6797 -12.6517 -12.6510 -10.8232 -10.8198 -10.5693 -10.5642 -9.6623 -9.6599 -9.5201 -9.5139 -2.6711 -2.6647 -2.4778 -2.4700 -2.2837 -2.2734 -2.0094 -2.0020 0.6609 0.6630 0.8750 0.9105 0.9627 0.9858 1.0642 1.0858 1.5743 1.6236 1.7826 1.8433 2.5538 2.5606 2.7029 2.7112 3.9115 3.9161 3.9369 3.9416 4.3341 4.3387 4.4186 4.4233 4.4331 4.4394 4.4754 4.4806 11.3506 11.3565 11.4578 11.4643 12.2595 12.2997 12.4308 12.4500 12.4931 12.5256 k =-0.3361 0.5727 0.5414 ( 4552 PWs) bands (ev): -12.6730 -12.6722 -12.6585 -12.6578 -10.7618 -10.7580 -10.6347 -10.6301 -9.6279 -9.6246 -9.5568 -9.5515 -2.6263 -2.6196 -2.5296 -2.5222 -2.2138 -2.2042 -2.0766 -2.0683 0.7424 0.7452 0.8895 0.8911 0.9496 0.9658 1.0270 1.0501 1.6210 1.6737 1.7252 1.7838 2.5893 2.5968 2.6647 2.6729 3.9197 3.9246 3.9327 3.9375 4.3538 4.3586 4.3964 4.4012 4.4411 4.4472 4.4623 4.4679 11.3817 11.3879 11.4364 11.4428 12.3184 12.3598 12.4205 12.4633 12.4695 12.4795 k =-0.3361 0.5727 0.5583 ( 4550 PWs) bands (ev): -12.6657 -12.6657 -12.6649 -12.6649 -10.6989 -10.6989 -10.6947 -10.6947 -9.5927 -9.5927 -9.5885 -9.5885 -2.5791 -2.5791 -2.5720 -2.5720 -2.1448 -2.1448 -2.1358 -2.1358 0.8183 0.8183 0.8249 0.8249 0.9861 0.9861 1.0099 1.0099 1.6713 1.6713 1.7272 1.7272 2.6266 2.6266 2.6345 2.6345 3.9269 3.9269 3.9318 3.9318 4.3747 4.3747 4.3795 4.3795 4.4508 4.4508 4.4567 4.4567 11.4107 11.4107 11.4170 11.4170 12.3741 12.3741 12.4176 12.4176 12.4910 12.4910 k =-0.3361 0.5727 0.5583 ( 4550 PWs) bands (ev): -12.6657 -12.6657 -12.6649 -12.6649 -10.6989 -10.6989 -10.6947 -10.6947 -9.5927 -9.5927 -9.5885 -9.5885 -2.5791 -2.5791 -2.5720 -2.5720 -2.1448 -2.1448 -2.1358 -2.1358 0.8183 0.8183 0.8249 0.8249 0.9861 0.9861 1.0099 1.0099 1.6713 1.6713 1.7272 1.7272 2.6266 2.6266 2.6345 2.6345 3.9269 3.9269 3.9318 3.9318 4.3747 4.3747 4.3795 4.3795 4.4508 4.4508 4.4567 4.4567 11.4107 11.4107 11.4170 11.4170 12.3741 12.3741 12.4176 12.4176 12.4910 12.4910 k =-0.3448 0.5580 0.5583 ( 4542 PWs) bands (ev): -12.6601 -12.6601 -12.6594 -12.6594 -10.7323 -10.7323 -10.7283 -10.7283 -9.5569 -9.5569 -9.5527 -9.5527 -2.6574 -2.6574 -2.6511 -2.6511 -2.0815 -2.0815 -2.0723 -2.0723 0.8269 0.8269 0.8333 0.8333 0.9920 0.9920 1.0141 1.0141 1.6685 1.6685 1.7233 1.7233 2.6358 2.6358 2.6438 2.6438 3.9154 3.9154 3.9201 3.9201 4.3538 4.3538 4.3582 4.3582 4.4720 4.4720 4.4781 4.4781 11.4205 11.4205 11.4279 11.4279 12.3707 12.3707 12.4135 12.4135 12.4821 12.4821 k =-0.3534 0.5433 0.5583 ( 4546 PWs) bands (ev): -12.6549 -12.6549 -12.6542 -12.6542 -10.7641 -10.7641 -10.7603 -10.7603 -9.5215 -9.5215 -9.5173 -9.5173 -2.7337 -2.7337 -2.7283 -2.7283 -2.0206 -2.0206 -2.0112 -2.0112 0.8341 0.8341 0.8403 0.8403 0.9975 0.9975 1.0179 1.0179 1.6659 1.6659 1.7193 1.7193 2.6466 2.6466 2.6546 2.6546 3.9023 3.9023 3.9068 3.9068 4.3342 4.3342 4.3383 4.3383 4.4941 4.4941 4.5002 4.5002 11.4252 11.4252 11.4335 11.4335 12.3691 12.3691 12.4105 12.4105 12.4797 12.4797 k =-0.3620 0.5286 0.5583 ( 4552 PWs) bands (ev): -12.6499 -12.6499 -12.6493 -12.6493 -10.7942 -10.7942 -10.7906 -10.7906 -9.4866 -9.4866 -9.4825 -9.4825 -2.8079 -2.8079 -2.8031 -2.8031 -1.9620 -1.9620 -1.9526 -1.9526 0.8401 0.8401 0.8459 0.8459 1.0026 1.0026 1.0215 1.0215 1.6634 1.6634 1.7151 1.7151 2.6589 2.6589 2.6668 2.6668 3.8879 3.8879 3.8921 3.8921 4.3160 4.3160 4.3199 4.3199 4.5169 4.5169 4.5230 4.5230 11.4247 11.4247 11.4339 11.4339 12.3701 12.3701 12.4095 12.4095 12.4836 12.4836 k =-0.3706 0.5139 0.5583 ( 4548 PWs) bands (ev): -12.6452 -12.6452 -12.6446 -12.6446 -10.8227 -10.8227 -10.8193 -10.8193 -9.4524 -9.4524 -9.4485 -9.4485 -2.8796 -2.8796 -2.8755 -2.8755 -1.9060 -1.9060 -1.8966 -1.8966 0.8451 0.8451 0.8505 0.8505 1.0075 1.0075 1.0247 1.0247 1.6609 1.6609 1.7106 1.7106 2.6723 2.6723 2.6802 2.6802 3.8722 3.8722 3.8762 3.8762 4.2993 4.2993 4.3030 4.3030 4.5402 4.5402 4.5461 4.5461 11.4196 11.4196 11.4295 11.4295 12.3739 12.3739 12.4110 12.4110 12.4933 12.4934 k =-0.3793 0.4992 0.5583 ( 4536 PWs) bands (ev): -12.6409 -12.6409 -12.6403 -12.6403 -10.8494 -10.8494 -10.8462 -10.8462 -9.4191 -9.4191 -9.4153 -9.4153 -2.9484 -2.9484 -2.9449 -2.9449 -1.8527 -1.8527 -1.8434 -1.8434 0.8491 0.8491 0.8541 0.8541 1.0120 1.0120 1.0277 1.0277 1.6583 1.6583 1.7058 1.7058 2.6868 2.6868 2.6945 2.6945 3.8555 3.8555 3.8593 3.8593 4.2840 4.2840 4.2875 4.2875 4.5636 4.5636 4.5693 4.5693 11.4105 11.4105 11.4208 11.4208 12.3810 12.3810 12.4154 12.4154 12.5073 12.5073 k =-0.3879 0.4845 0.5583 ( 4540 PWs) bands (ev): -12.6368 -12.6368 -12.6363 -12.6363 -10.8744 -10.8744 -10.8714 -10.8714 -9.3869 -9.3869 -9.3833 -9.3833 -3.0142 -3.0142 -3.0112 -3.0112 -1.8022 -1.8022 -1.7931 -1.7931 0.8525 0.8525 0.8570 0.8570 1.0162 1.0162 1.0305 1.0305 1.6556 1.6556 1.7007 1.7007 2.7021 2.7021 2.7095 2.7095 3.8380 3.8380 3.8416 3.8416 4.2702 4.2702 4.2734 4.2734 4.5868 4.5868 4.5923 4.5923 11.3982 11.3982 11.4088 11.4088 12.3913 12.3913 12.4231 12.4231 12.5259 12.5259 k =-0.3965 0.4698 0.5583 ( 4552 PWs) bands (ev): -12.6330 -12.6330 -12.6326 -12.6326 -10.8976 -10.8976 -10.8949 -10.8949 -9.3560 -9.3560 -9.3525 -9.3525 -3.0766 -3.0766 -3.0740 -3.0740 -1.7548 -1.7548 -1.7459 -1.7459 0.8552 0.8552 0.8593 0.8593 1.0202 1.0202 1.0330 1.0330 1.6528 1.6528 1.6952 1.6952 2.7178 2.7178 2.7250 2.7250 3.8201 3.8201 3.8233 3.8233 4.2577 4.2577 4.2607 4.2607 4.6096 4.6096 4.6148 4.6148 11.3834 11.3834 11.3941 11.3941 12.4050 12.4050 12.4342 12.4342 12.5481 12.5481 k =-0.4051 0.4551 0.5583 ( 4540 PWs) bands (ev): -12.6296 -12.6296 -12.6291 -12.6291 -10.9191 -10.9191 -10.9165 -10.9165 -9.3266 -9.3266 -9.3233 -9.3233 -3.1353 -3.1353 -3.1331 -3.1331 -1.7104 -1.7104 -1.7019 -1.7019 0.8575 0.8575 0.8611 0.8611 1.0238 1.0238 1.0353 1.0353 1.6498 1.6498 1.6895 1.6895 2.7339 2.7339 2.7407 2.7407 3.8019 3.8019 3.8049 3.8049 4.2465 4.2465 4.2493 4.2493 4.6318 4.6318 4.6367 4.6367 11.3672 11.3672 11.3777 11.3777 12.4221 12.4221 12.4489 12.4489 12.5730 12.5730 k =-0.4138 0.4404 0.5583 ( 4536 PWs) bands (ev): -12.6264 -12.6264 -12.6260 -12.6260 -10.9387 -10.9387 -10.9364 -10.9364 -9.2989 -9.2989 -9.2958 -9.2958 -3.1900 -3.1900 -3.1882 -3.1882 -1.6694 -1.6694 -1.6612 -1.6612 0.8594 0.8594 0.8626 0.8626 1.0272 1.0272 1.0374 1.0374 1.6469 1.6469 1.6835 1.6835 2.7499 2.7499 2.7564 2.7564 3.7839 3.7839 3.7866 3.7866 4.2365 4.2365 4.2391 4.2391 4.6530 4.6530 4.6575 4.6575 11.3502 11.3502 11.3603 11.3603 12.4425 12.4425 12.4670 12.4670 12.5995 12.5995 k =-0.4224 0.4257 0.5583 ( 4534 PWs) bands (ev): -12.6236 -12.6236 -12.6232 -12.6232 -10.9565 -10.9565 -10.9544 -10.9544 -9.2730 -9.2730 -9.2702 -9.2702 -3.2405 -3.2405 -3.2390 -3.2390 -1.6317 -1.6317 -1.6241 -1.6241 0.8610 0.8610 0.8638 0.8638 1.0303 1.0303 1.0393 1.0393 1.6439 1.6439 1.6774 1.6774 2.7657 2.7657 2.7717 2.7717 3.7662 3.7662 3.7687 3.7687 4.2276 4.2276 4.2300 4.2300 4.6730 4.6730 4.6772 4.6772 11.3331 11.3331 11.3426 11.3426 12.4661 12.4661 12.4884 12.4884 12.6267 12.6267 k =-0.4310 0.4110 0.5583 ( 4534 PWs) bands (ev): -12.6210 -12.6210 -12.6207 -12.6207 -10.9724 -10.9724 -10.9706 -10.9706 -9.2493 -9.2493 -9.2468 -9.2468 -3.2864 -3.2864 -3.2852 -3.2852 -1.5976 -1.5976 -1.5905 -1.5905 0.8624 0.8624 0.8647 0.8647 1.0332 1.0332 1.0410 1.0410 1.6411 1.6411 1.6713 1.6713 2.7810 2.7810 2.7865 2.7865 3.7493 3.7493 3.7515 3.7515 4.2198 4.2198 4.2220 4.2220 4.6916 4.6916 4.6954 4.6954 11.3166 11.3166 11.3253 11.3253 12.4924 12.4924 12.5126 12.5126 12.6536 12.6536 k =-0.4396 0.3963 0.5583 ( 4530 PWs) bands (ev): -12.6188 -12.6188 -12.6185 -12.6185 -10.9865 -10.9865 -10.9849 -10.9849 -9.2278 -9.2278 -9.2255 -9.2255 -3.3276 -3.3276 -3.3267 -3.3267 -1.5671 -1.5671 -1.5607 -1.5607 0.8636 0.8636 0.8655 0.8655 1.0358 1.0358 1.0425 1.0425 1.6385 1.6385 1.6652 1.6652 2.7954 2.7954 2.8004 2.8004 3.7334 3.7334 3.7353 3.7353 4.2130 4.2130 4.2149 4.2149 4.7086 4.7086 4.7120 4.7120 11.3010 11.3010 11.3089 11.3089 12.5210 12.5210 12.5392 12.5392 12.6796 12.6796 k =-0.4483 0.3816 0.5583 ( 4522 PWs) bands (ev): -12.6168 -12.6168 -12.6166 -12.6166 -10.9988 -10.9988 -10.9974 -10.9974 -9.2088 -9.2088 -9.2068 -9.2068 -3.3638 -3.3638 -3.3631 -3.3631 -1.5403 -1.5403 -1.5347 -1.5347 0.8646 0.8646 0.8662 0.8662 1.0381 1.0381 1.0437 1.0437 1.6362 1.6362 1.6594 1.6594 2.8088 2.8088 2.8132 2.8132 3.7189 3.7189 3.7205 3.7205 4.2072 4.2072 4.2089 4.2089 4.7238 4.7238 4.7267 4.7267 11.2868 11.2868 11.2938 11.2938 12.5510 12.5510 12.5672 12.5672 12.7039 12.7039 k =-0.4569 0.3670 0.5583 ( 4518 PWs) bands (ev): -12.6152 -12.6152 -12.6150 -12.6150 -11.0091 -11.0091 -11.0079 -11.0079 -9.1924 -9.1924 -9.1907 -9.1907 -3.3948 -3.3948 -3.3942 -3.3942 -1.5174 -1.5174 -1.5126 -1.5126 0.8655 0.8655 0.8668 0.8668 1.0401 1.0401 1.0447 1.0447 1.6344 1.6344 1.6539 1.6539 2.8207 2.8207 2.8245 2.8245 3.7060 3.7060 3.7073 3.7073 4.2024 4.2024 4.2038 4.2038 4.7369 4.7369 4.7394 4.7394 11.2745 11.2745 11.2804 11.2804 12.5814 12.5814 12.5955 12.5955 12.7261 12.7261 k =-0.4655 0.3523 0.5583 ( 4510 PWs) bands (ev): -12.6138 -12.6138 -12.6136 -12.6136 -11.0176 -11.0176 -11.0166 -11.0166 -9.1787 -9.1787 -9.1773 -9.1773 -3.4204 -3.4204 -3.4200 -3.4200 -1.4984 -1.4984 -1.4945 -1.4945 0.8662 0.8662 0.8672 0.8672 1.0419 1.0419 1.0455 1.0455 1.6331 1.6331 1.6488 1.6488 2.8311 2.8311 2.8341 2.8341 3.6950 3.6950 3.6961 3.6961 4.1985 4.1985 4.1997 4.1997 4.7479 4.7479 4.7499 4.7499 11.2641 11.2641 11.2689 11.2689 12.6106 12.6106 12.6225 12.6225 12.7456 12.7456 k =-0.4741 0.3376 0.5583 ( 4516 PWs) bands (ev): -12.6128 -12.6128 -12.6126 -12.6126 -11.0241 -11.0241 -11.0234 -11.0234 -9.1678 -9.1678 -9.1668 -9.1668 -3.4405 -3.4405 -3.4402 -3.4402 -1.4835 -1.4835 -1.4805 -1.4805 0.8668 0.8668 0.8675 0.8675 1.0433 1.0433 1.0460 1.0460 1.6324 1.6324 1.6443 1.6443 2.8395 2.8395 2.8418 2.8418 3.6862 3.6862 3.6870 3.6870 4.1955 4.1955 4.1964 4.1964 4.7567 4.7567 4.7581 4.7581 11.2560 11.2560 11.2596 11.2596 12.6369 12.6369 12.6464 12.6464 12.7620 12.7620 k =-0.4828 0.3229 0.5583 ( 4512 PWs) bands (ev): -12.6120 -12.6120 -12.6119 -12.6119 -11.0288 -11.0288 -11.0283 -11.0283 -9.1600 -9.1600 -9.1593 -9.1593 -3.4550 -3.4550 -3.4548 -3.4548 -1.4726 -1.4726 -1.4706 -1.4706 0.8673 0.8673 0.8678 0.8678 1.0445 1.0445 1.0463 1.0463 1.6325 1.6325 1.6404 1.6404 2.8457 2.8457 2.8473 2.8473 3.6798 3.6798 3.6803 3.6803 4.1934 4.1934 4.1940 4.1940 4.7630 4.7630 4.7640 4.7640 11.2503 11.2503 11.2527 11.2527 12.6583 12.6583 12.6649 12.6649 12.7748 12.7748 k =-0.4914 0.3082 0.5583 ( 4516 PWs) bands (ev): -12.6115 -12.6115 -12.6115 -12.6115 -11.0315 -11.0315 -11.0313 -11.0313 -9.1552 -9.1552 -9.1548 -9.1548 -3.4637 -3.4637 -3.4636 -3.4636 -1.4659 -1.4659 -1.4648 -1.4648 0.8676 0.8676 0.8678 0.8678 1.0454 1.0454 1.0463 1.0463 1.6333 1.6333 1.6372 1.6372 2.8497 2.8497 2.8505 2.8505 3.6760 3.6760 3.6762 3.6762 4.1923 4.1923 4.1925 4.1925 4.7670 4.7670 4.7675 4.7675 11.2470 11.2470 11.2483 11.2483 12.6728 12.6728 12.6762 12.6762 12.7834 12.7834 k =-0.5000 0.2935 0.5583 ( 4516 PWs) bands (ev): -12.6114 -12.6114 -12.6114 -12.6114 -11.0324 -11.0324 -11.0324 -11.0324 -9.1535 -9.1535 -9.1535 -9.1535 -3.4665 -3.4665 -3.4665 -3.4665 -1.4633 -1.4633 -1.4633 -1.4633 0.8678 0.8678 0.8678 0.8678 1.0460 1.0460 1.0460 1.0460 1.6349 1.6349 1.6349 1.6349 2.8513 2.8513 2.8513 2.8513 3.6747 3.6747 3.6747 3.6747 4.1920 4.1920 4.1920 4.1920 4.7685 4.7685 4.7685 4.7685 11.2464 11.2464 11.2464 11.2464 12.6790 12.6790 12.6790 12.6790 12.7869 12.7869 k =-0.5000 0.2935 0.5583 ( 4516 PWs) bands (ev): -12.6114 -12.6114 -12.6114 -12.6114 -11.0324 -11.0324 -11.0324 -11.0324 -9.1535 -9.1535 -9.1535 -9.1535 -3.4665 -3.4665 -3.4665 -3.4665 -1.4633 -1.4633 -1.4633 -1.4633 0.8678 0.8678 0.8678 0.8678 1.0460 1.0460 1.0460 1.0460 1.6349 1.6349 1.6349 1.6349 2.8513 2.8513 2.8513 2.8513 3.6747 3.6747 3.6747 3.6747 4.1920 4.1920 4.1920 4.1920 4.7685 4.7685 4.7685 4.7685 11.2464 11.2464 11.2464 11.2464 12.6790 12.6790 12.6790 12.6790 12.7869 12.7869 k =-0.5000 0.2935 0.5414 ( 4520 PWs) bands (ev): -12.6162 -12.6162 -12.6066 -12.6066 -11.0979 -11.0979 -10.9653 -10.9653 -9.1625 -9.1625 -9.1446 -9.1446 -3.4750 -3.4750 -3.4544 -3.4544 -1.5443 -1.5443 -1.3861 -1.3861 0.7955 0.7955 0.9348 0.9348 1.0393 1.0393 1.0510 1.0510 1.6006 1.6006 1.6757 1.6757 2.8456 2.8456 2.8540 2.8540 3.6638 3.6638 3.6830 3.6830 4.1765 4.1765 4.2096 4.2096 4.7664 4.7664 4.7720 4.7720 11.2408 11.2408 11.2582 11.2582 12.6562 12.6562 12.6968 12.6968 12.7647 12.7647 k =-0.5000 0.2935 0.5245 ( 4528 PWs) bands (ev): -12.6212 -12.6212 -12.6020 -12.6020 -11.1619 -11.1619 -10.8969 -10.8969 -9.1718 -9.1718 -9.1360 -9.1360 -3.4799 -3.4799 -3.4386 -3.4386 -1.6292 -1.6292 -1.3129 -1.3129 0.7218 0.7218 0.9848 0.9848 1.0375 1.0375 1.0550 1.0550 1.5761 1.5761 1.7209 1.7209 2.8365 2.8365 2.8540 2.8540 3.6498 3.6498 3.6891 3.6891 4.1636 4.1636 4.2287 4.2287 4.7659 4.7659 4.7768 4.7768 11.2410 11.2410 11.2766 11.2766 12.6298 12.6298 12.7069 12.7069 12.7466 12.7466 k =-0.5000 0.2935 0.5075 ( 4532 PWs) bands (ev): -12.6263 -12.6263 -12.5976 -12.5976 -11.2244 -11.2244 -10.8271 -10.8271 -9.1812 -9.1812 -9.1276 -9.1276 -3.4810 -3.4810 -3.4193 -3.4193 -1.7179 -1.7179 -1.2435 -1.2435 0.6485 0.6485 0.9925 0.9925 1.0431 1.0431 1.0745 1.0745 1.5664 1.5664 1.7692 1.7692 2.8240 2.8240 2.8517 2.8517 3.6327 3.6327 3.6936 3.6936 4.1534 4.1534 4.2489 4.2489 4.7669 4.7669 4.7829 4.7829 11.2464 11.2464 11.3018 11.3018 12.6006 12.6006 12.7060 12.7060 12.7348 12.7348 k =-0.5000 0.2935 0.4906 ( 4532 PWs) bands (ev): -12.6315 -12.6315 -12.5932 -12.5932 -11.2851 -11.2851 -10.7561 -10.7561 -9.1907 -9.1907 -9.1195 -9.1195 -3.4785 -3.4785 -3.3964 -3.3964 -1.8101 -1.8101 -1.1780 -1.1780 0.5767 0.5767 0.9781 0.9781 1.0373 1.0373 1.1022 1.1022 1.5770 1.5770 1.8197 1.8197 2.8079 2.8079 2.8476 2.8476 3.6127 3.6127 3.6971 3.6971 4.1458 4.1458 4.2693 4.2693 4.7697 4.7697 4.7902 4.7902 11.2565 11.2565 11.3338 11.3338 12.5689 12.5689 12.6973 12.6973 12.7253 12.7253 k =-0.5000 0.2935 0.4737 ( 4530 PWs) bands (ev): -12.6367 -12.6367 -12.5891 -12.5891 -11.3442 -11.3442 -10.6839 -10.6839 -9.2003 -9.2003 -9.1116 -9.1116 -3.4724 -3.4724 -3.3700 -3.3700 -1.9057 -1.9057 -1.1162 -1.1162 0.5071 0.5071 0.9574 0.9574 1.0251 1.0251 1.1141 1.1141 1.6104 1.6104 1.8718 1.8718 2.7883 2.7883 2.8423 2.8423 3.5902 3.5902 3.7000 3.7000 4.1407 4.1407 4.2895 4.2895 4.7741 4.7741 4.7985 4.7985 11.2702 11.2702 11.3726 11.3726 12.5351 12.5351 12.6856 12.6856 12.7134 12.7134 k =-0.5000 0.2935 0.4568 ( 4534 PWs) bands (ev): -12.6420 -12.6420 -12.5851 -12.5851 -11.4014 -11.4014 -10.6107 -10.6107 -9.2099 -9.2099 -9.1041 -9.1041 -3.4626 -3.4626 -3.3403 -3.3403 -2.0044 -2.0044 -1.0580 -1.0580 0.4401 0.4401 0.9329 0.9329 1.0072 1.0072 1.1088 1.1088 1.6641 1.6641 1.9251 1.9251 2.7652 2.7652 2.8366 2.8366 3.5657 3.5657 3.7027 3.7027 4.1376 4.1376 4.3088 4.3088 4.7804 4.7804 4.8077 4.8077 11.2869 11.2869 11.4180 11.4180 12.4996 12.4996 12.6655 12.6655 12.7054 12.7054 k =-0.5000 0.2935 0.4399 ( 4542 PWs) bands (ev): -12.6473 -12.6473 -12.5813 -12.5813 -11.4569 -11.4569 -10.5365 -10.5365 -9.2196 -9.2196 -9.0969 -9.0969 -3.4493 -3.4493 -3.3072 -3.3072 -2.1059 -2.1059 -1.0033 -1.0033 0.3759 0.3759 0.9051 0.9051 0.9836 0.9836 1.0909 1.0909 1.7321 1.7321 1.9792 1.9792 2.7388 2.7388 2.8310 2.8310 3.5399 3.5399 3.7055 3.7055 4.1359 4.1359 4.3269 4.3269 4.7886 4.7886 4.8178 4.8178 11.3055 11.3055 11.4696 11.4696 12.4628 12.4628 12.6325 12.6325 12.7076 12.7076 k =-0.5000 0.2935 0.4229 ( 4538 PWs) bands (ev): -12.6527 -12.6527 -12.5777 -12.5777 -11.5106 -11.5106 -10.4615 -10.4615 -9.2293 -9.2293 -9.0900 -9.0900 -3.4324 -3.4324 -3.2708 -3.2708 -2.2098 -2.2098 -0.9519 -0.9519 0.3148 0.3148 0.8742 0.8742 0.9543 0.9543 1.0652 1.0652 1.8091 1.8091 2.0340 2.0340 2.7092 2.7092 2.8263 2.8263 3.5135 3.5135 3.7087 3.7087 4.1354 4.1354 4.3434 4.3434 4.7986 4.7986 4.8287 4.8287 11.3253 11.3253 11.5272 11.5272 12.4251 12.4251 12.5900 12.5900 12.7188 12.7188 k =-0.5000 0.2935 0.4060 ( 4546 PWs) bands (ev): -12.6580 -12.6580 -12.5743 -12.5743 -11.5624 -11.5624 -10.3858 -10.3858 -9.2389 -9.2389 -9.0835 -9.0835 -3.4120 -3.4120 -3.2312 -3.2312 -2.3158 -2.3158 -0.9038 -0.9038 0.2568 0.2568 0.8402 0.8402 0.9190 0.9190 1.0351 1.0351 1.8911 1.8911 2.0890 2.0890 2.6769 2.6769 2.8231 2.8231 3.4871 3.4871 3.7121 3.7121 4.1355 4.1355 4.3580 4.3580 4.8105 4.8105 4.8402 4.8402 11.3454 11.3454 11.5901 11.5901 12.3868 12.3868 12.5410 12.5410 12.7382 12.7382 k =-0.5000 0.2935 0.3891 ( 4536 PWs) bands (ev): -12.6634 -12.6634 -12.5710 -12.5710 -11.6123 -11.6123 -10.3096 -10.3096 -9.2484 -9.2484 -9.0773 -9.0773 -3.3882 -3.3882 -3.1886 -3.1886 -2.4235 -2.4235 -0.8588 -0.8588 0.2018 0.2018 0.8031 0.8031 0.8778 0.8778 1.0027 1.0027 1.9755 1.9755 2.1443 2.1443 2.6421 2.6421 2.8219 2.8219 3.4612 3.4612 3.7161 3.7161 4.1358 4.1358 4.3705 4.3705 4.8243 4.8243 4.8523 4.8523 11.3651 11.3651 11.6578 11.6578 12.3483 12.3483 12.4871 12.4871 12.7657 12.7657 k =-0.5000 0.2935 0.3722 ( 4536 PWs) bands (ev): -12.6687 -12.6687 -12.5679 -12.5679 -11.6602 -11.6602 -10.2330 -10.2330 -9.2578 -9.2578 -9.0714 -9.0714 -3.3612 -3.3612 -3.1431 -3.1431 -2.5324 -2.5324 -0.8167 -0.8167 0.1500 0.1500 0.7628 0.7628 0.8309 0.8309 0.9694 0.9694 2.0602 2.0602 2.1997 2.1997 2.6053 2.6053 2.8231 2.8231 3.4361 3.4361 3.7203 3.7203 4.1362 4.1362 4.3808 4.3808 4.8400 4.8400 4.8648 4.8648 11.3838 11.3838 11.7295 11.7295 12.3099 12.3099 12.4300 12.4300 12.8011 12.8011 k =-0.5000 0.2935 0.3553 ( 4550 PWs) bands (ev): -12.6739 -12.6739 -12.5650 -12.5650 -11.7062 -11.7062 -10.1563 -10.1563 -9.2671 -9.2671 -9.0659 -9.0659 -3.3309 -3.3309 -3.0948 -3.0948 -2.6420 -2.6420 -0.7774 -0.7774 0.1011 0.1011 0.7190 0.7190 0.7787 0.7787 0.9360 0.9360 2.1439 2.1439 2.2552 2.2552 2.5672 2.5672 2.8270 2.8270 3.4121 3.4121 3.7250 3.7250 4.1363 4.1363 4.3886 4.3886 4.8575 4.8575 4.8776 4.8776 11.4011 11.4011 11.8046 11.8046 12.2718 12.2718 12.3706 12.3706 12.8444 12.8444 k =-0.5000 0.2935 0.3384 ( 4556 PWs) bands (ev): -12.6791 -12.6791 -12.5623 -12.5623 -11.7502 -11.7502 -10.0795 -10.0795 -9.2761 -9.2761 -9.0607 -9.0607 -3.2976 -3.2976 -3.0438 -3.0438 -2.7520 -2.7520 -0.7408 -0.7408 0.0552 0.0552 0.6716 0.6716 0.7217 0.7217 0.9030 0.9030 2.2249 2.2249 2.3112 2.3112 2.5282 2.5282 2.8338 2.8338 3.3894 3.3894 3.7299 3.7299 4.1362 4.1362 4.3941 4.3941 4.8768 4.8768 4.8908 4.8908 11.4167 11.4167 11.8822 11.8822 12.2342 12.2342 12.3099 12.3099 12.8951 12.8951 k =-0.5000 0.2935 0.3214 ( 4556 PWs) bands (ev): -12.6841 -12.6841 -12.5598 -12.5598 -11.7921 -11.7921 -10.0029 -10.0029 -9.2850 -9.2850 -9.0559 -9.0559 -3.2614 -3.2614 -2.9902 -2.9902 -2.8617 -2.8617 -0.7068 -0.7068 0.0122 0.0122 0.6199 0.6199 0.6609 0.6609 0.8709 0.8709 2.3011 2.3011 2.3686 2.3686 2.4893 2.4893 2.8436 2.8436 3.3682 3.3682 3.7350 3.7350 4.1356 4.1356 4.3971 4.3971 4.8974 4.8974 4.9043 4.9043 11.4308 11.4308 11.9613 11.9613 12.1972 12.1972 12.2488 12.2488 12.9528 12.9528 k =-0.5000 0.2935 0.3045 ( 4556 PWs) bands (ev): -12.6891 -12.6891 -12.5574 -12.5574 -11.8321 -11.8321 -9.9268 -9.9268 -9.2936 -9.2936 -9.0514 -9.0514 -3.2225 -3.2225 -2.9708 -2.9708 -2.9342 -2.9342 -0.6753 -0.6753 -0.0281 -0.0281 0.5628 0.5628 0.5981 0.5981 0.8399 0.8399 2.3683 2.3683 2.4291 2.4291 2.4530 2.4530 2.8562 2.8562 3.3484 3.3484 3.7401 3.7401 4.1346 4.1346 4.3978 4.3978 4.9158 4.9158 4.9217 4.9217 11.4432 11.4432 12.0407 12.0407 12.1609 12.1609 12.1885 12.1885 13.0166 13.0166 k =-0.5000 0.2935 0.2876 ( 4554 PWs) bands (ev): -12.6939 -12.6939 -12.5552 -12.5552 -11.8700 -11.8700 -9.8515 -9.8515 -9.3019 -9.3019 -9.0472 -9.0472 -3.1812 -3.1812 -3.0784 -3.0784 -2.8763 -2.8763 -0.6462 -0.6462 -0.0658 -0.0658 0.4990 0.4990 0.5353 0.5353 0.8102 0.8102 2.3973 2.3973 2.4460 2.4460 2.4945 2.4945 2.8715 2.8715 3.3300 3.3300 3.7452 3.7452 4.1332 4.1332 4.3962 4.3962 4.9296 4.9296 4.9450 4.9450 11.4542 11.4542 12.1075 12.1075 12.1266 12.1266 12.1403 12.1403 13.0858 13.0858 k =-0.5000 0.2935 0.2707 ( 4556 PWs) bands (ev): -12.6985 -12.6985 -12.5532 -12.5532 -11.9058 -11.9058 -9.7771 -9.7771 -9.3099 -9.3099 -9.0433 -9.0433 -3.1856 -3.1856 -3.1363 -3.1363 -2.8164 -2.8164 -0.6193 -0.6193 -0.1009 -0.1009 0.4287 0.4287 0.4730 0.4730 0.7819 0.7819 2.3669 2.3669 2.4932 2.4932 2.5613 2.5613 2.8893 2.8893 3.3131 3.3131 3.7503 3.7503 4.1313 4.1313 4.3923 4.3923 4.9427 4.9427 4.9699 4.9699 11.4640 11.4640 12.0620 12.0620 12.0946 12.0946 12.2033 12.2033 13.1595 13.1595 k =-0.5000 0.2935 0.2538 ( 4552 PWs) bands (ev): -12.7030 -12.7030 -12.5513 -12.5513 -11.9395 -11.9395 -9.7040 -9.7040 -9.3175 -9.3175 -9.0398 -9.0398 -3.2890 -3.2890 -3.0910 -3.0910 -2.7549 -2.7549 -0.5946 -0.5946 -0.1335 -0.1335 0.3540 0.3540 0.4101 0.4101 0.7552 0.7552 2.3318 2.3318 2.5422 2.5422 2.6271 2.6271 2.9095 2.9095 3.2975 3.2975 3.7551 3.7551 4.1291 4.1291 4.3864 4.3864 4.9555 4.9555 4.9959 4.9959 11.4727 11.4727 12.0045 12.0045 12.0621 12.0621 12.2798 12.2798 13.2366 13.2366 k =-0.5000 0.2935 0.2369 ( 4552 PWs) bands (ev): -12.7073 -12.7073 -12.5496 -12.5496 -11.9711 -11.9711 -9.6326 -9.6326 -9.3248 -9.3248 -9.0365 -9.0365 -3.3901 -3.3901 -3.0434 -3.0434 -2.6920 -2.6920 -0.5720 -0.5720 -0.1637 -0.1637 0.2765 0.2765 0.3461 0.3461 0.7302 0.7302 2.2977 2.2977 2.5887 2.5887 2.6903 2.6903 2.9315 2.9315 3.2833 3.2833 3.7595 3.7595 4.1266 4.1266 4.3786 4.3786 4.9679 4.9679 5.0227 5.0227 11.4807 11.4807 11.9480 11.9480 12.0313 12.0313 12.3543 12.3543 13.3011 13.3011 k =-0.5000 0.2935 0.2199 ( 4552 PWs) bands (ev): -12.7114 -12.7114 -12.5481 -12.5481 -12.0005 -12.0005 -9.5632 -9.5632 -9.3317 -9.3317 -9.0335 -9.0335 -3.4879 -3.4879 -2.9944 -2.9944 -2.6280 -2.6280 -0.5514 -0.5514 -0.1916 -0.1916 0.1976 0.1976 0.2806 0.2806 0.7068 0.7068 2.2654 2.2654 2.6327 2.6327 2.7500 2.7500 2.9552 2.9552 3.2703 3.2703 3.7637 3.7637 4.1238 4.1238 4.3691 4.3691 4.9798 4.9798 5.0497 5.0497 11.4881 11.4881 11.8935 11.8935 12.0022 12.0022 12.4258 12.4258 13.3084 13.3084 k =-0.5000 0.2935 0.2030 ( 4558 PWs) bands (ev): -12.7152 -12.7152 -12.5467 -12.5467 -12.0279 -12.0279 -9.4963 -9.4963 -9.3382 -9.3382 -9.0308 -9.0308 -3.5818 -3.5818 -2.9443 -2.9443 -2.5635 -2.5635 -0.5328 -0.5328 -0.2174 -0.2174 0.1184 0.1184 0.2141 0.2141 0.6851 0.6851 2.2353 2.2353 2.6741 2.6741 2.8056 2.8056 2.9800 2.9800 3.2586 3.2586 3.7673 3.7673 4.1209 4.1209 4.3582 4.3582 4.9913 4.9913 5.0769 5.0769 11.4949 11.4949 11.8414 11.8414 11.9749 11.9749 12.4937 12.4937 13.3103 13.3103 k =-0.5000 0.2935 0.1861 ( 4556 PWs) bands (ev): -12.7188 -12.7188 -12.5454 -12.5454 -12.0531 -12.0531 -9.4322 -9.4322 -9.3442 -9.3442 -9.0284 -9.0284 -3.6712 -3.6712 -2.8938 -2.8938 -2.4987 -2.4987 -0.5161 -0.5161 -0.2412 -0.2412 0.0398 0.0398 0.1470 0.1470 0.6651 0.6651 2.2075 2.2075 2.7129 2.7129 2.8570 2.8570 3.0058 3.0058 3.2479 3.2479 3.7704 3.7704 4.1178 4.1178 4.3462 4.3462 5.0021 5.0021 5.1037 5.1037 11.5014 11.5014 11.7922 11.7922 11.9495 11.9495 12.5574 12.5574 13.3080 13.3080 k =-0.5000 0.2935 0.1692 ( 4554 PWs) bands (ev): -12.7221 -12.7221 -12.5442 -12.5442 -12.0761 -12.0761 -9.3720 -9.3720 -9.3492 -9.3492 -9.0262 -9.0262 -3.7557 -3.7557 -2.8432 -2.8432 -2.4343 -2.4343 -0.5012 -0.5012 -0.2630 -0.2630 -0.0371 -0.0371 0.0798 0.0798 0.6470 0.6470 2.1821 2.1821 2.7490 2.7490 2.9040 2.9040 3.0319 3.0319 3.2384 3.2384 3.7729 3.7729 4.1148 4.1148 4.3334 4.3334 5.0122 5.0122 5.1298 5.1298 11.5076 11.5076 11.7460 11.7460 11.9259 11.9259 12.6168 12.6168 13.3020 13.3020 k =-0.5000 0.2935 0.1523 ( 4558 PWs) bands (ev): -12.7252 -12.7252 -12.5432 -12.5432 -12.0970 -12.0970 -9.3555 -9.3555 -9.3136 -9.3136 -9.0242 -9.0242 -3.8345 -3.8345 -2.7933 -2.7933 -2.3710 -2.3710 -0.4881 -0.4881 -0.2834 -0.2834 -0.1111 -0.1111 0.0135 0.0135 0.6305 0.6305 2.1592 2.1592 2.7822 2.7822 2.9465 2.9465 3.0580 3.0580 3.2299 3.2299 3.7748 3.7748 4.1118 4.1118 4.3200 4.3200 5.0216 5.0216 5.1548 5.1548 11.5135 11.5135 11.7033 11.7033 11.9044 11.9044 12.6715 12.6715 13.2922 13.2922 k =-0.5000 0.2935 0.1353 ( 4552 PWs) bands (ev): -12.7280 -12.7280 -12.5423 -12.5423 -12.1157 -12.1157 -9.3599 -9.3599 -9.2610 -9.2610 -9.0225 -9.0225 -3.9070 -3.9070 -2.7447 -2.7447 -2.3094 -2.3094 -0.4768 -0.4768 -0.3028 -0.3028 -0.1803 -0.1803 -0.0512 -0.0512 0.6159 0.6159 2.1389 2.1389 2.8123 2.8123 2.9845 2.9845 3.0835 3.0835 3.2225 3.2225 3.7760 3.7760 4.1089 4.1089 4.3066 4.3066 5.0302 5.0302 5.1785 5.1785 11.5191 11.5191 11.6643 11.6643 11.8850 11.8850 12.7216 12.7216 13.2790 13.2790 k =-0.5000 0.2935 0.1184 ( 4552 PWs) bands (ev): -12.7305 -12.7305 -12.5416 -12.5416 -12.1322 -12.1322 -9.3640 -9.3640 -9.2130 -9.2130 -9.0209 -9.0209 -3.9728 -3.9728 -2.6982 -2.6982 -2.2505 -2.2505 -0.4675 -0.4675 -0.3234 -0.3234 -0.2419 -0.2419 -0.1131 -0.1131 0.6030 0.6030 2.1211 2.1211 2.8393 2.8393 3.0180 3.0180 3.1079 3.1079 3.2161 3.2161 3.7766 3.7766 4.1062 4.1062 4.2935 4.2935 5.0380 5.0380 5.2003 5.2003 11.5243 11.5243 11.6293 11.6293 11.8677 11.8677 12.7668 12.7668 13.2626 13.2626 k =-0.5000 0.2935 0.1015 ( 4548 PWs) bands (ev): -12.7326 -12.7326 -12.5409 -12.5409 -12.1465 -12.1465 -9.3675 -9.3675 -9.1702 -9.1702 -9.0195 -9.0195 -4.0312 -4.0312 -2.6549 -2.6549 -2.1953 -2.1953 -0.4604 -0.4604 -0.3503 -0.3503 -0.2889 -0.2889 -0.1709 -0.1709 0.5919 0.5919 2.1057 2.1057 2.8630 2.8630 3.0469 3.0469 3.1308 3.1308 3.2107 3.2107 3.7767 3.7767 4.1038 4.1038 4.2811 4.2811 5.0448 5.0448 5.2200 5.2200 11.5290 11.5290 11.5985 11.5985 11.8525 11.8525 12.8073 12.8073 13.2446 13.2446 k =-0.5000 0.2935 0.0846 ( 4552 PWs) bands (ev): -12.7345 -12.7345 -12.5404 -12.5404 -12.1587 -12.1587 -9.3706 -9.3706 -9.1331 -9.1331 -9.0182 -9.0182 -4.0816 -4.0816 -2.6156 -2.6156 -2.1450 -2.1450 -0.4570 -0.4570 -0.3861 -0.3861 -0.3164 -0.3164 -0.2232 -0.2232 0.5825 0.5825 2.0928 2.0928 2.8832 2.8832 3.0712 3.0712 3.1513 3.1513 3.2064 3.2064 3.7763 3.7763 4.1016 4.1016 4.2698 4.2698 5.0506 5.0506 5.2373 5.2373 11.5332 11.5332 11.5721 11.5721 11.8396 11.8396 12.8428 12.8428 13.2267 13.2267 k =-0.5000 0.2935 0.0677 ( 4548 PWs) bands (ev): -12.7360 -12.7360 -12.5399 -12.5399 -12.1686 -12.1686 -9.3731 -9.3731 -9.1022 -9.1022 -9.0171 -9.0171 -4.1236 -4.1236 -2.5815 -2.5815 -2.1010 -2.1010 -0.4631 -0.4631 -0.4162 -0.4162 -0.3323 -0.3323 -0.2683 -0.2683 0.5748 0.5748 2.0824 2.0824 2.9000 2.9000 3.0911 3.0911 3.1687 3.1687 3.2033 3.2033 3.7755 3.7755 4.0998 4.0998 4.2599 4.2599 5.0555 5.0555 5.2518 5.2518 11.5367 11.5367 11.5503 11.5503 11.8291 11.8291 12.8732 12.8732 13.2104 13.2104 k =-0.5000 0.2935 0.0508 ( 4554 PWs) bands (ev): -12.7372 -12.7372 -12.5396 -12.5396 -12.1763 -12.1763 -9.3751 -9.3751 -9.0780 -9.0780 -9.0160 -9.0160 -4.1568 -4.1568 -2.5536 -2.5536 -2.0647 -2.0647 -0.4844 -0.4844 -0.4270 -0.4270 -0.3439 -0.3439 -0.3039 -0.3039 0.5689 0.5689 2.0743 2.0743 2.9131 2.9131 3.1065 3.1065 3.1819 3.1819 3.2020 3.2020 3.7747 3.7747 4.0983 4.0983 4.2519 4.2519 5.0592 5.0592 5.2634 5.2634 11.5327 11.5327 11.5401 11.5401 11.8208 11.8208 12.8979 12.8979 13.1966 13.1966 k =-0.5000 0.2935 0.0338 ( 4570 PWs) bands (ev): -12.7381 -12.7381 -12.5393 -12.5393 -12.1819 -12.1819 -9.3765 -9.3765 -9.0607 -9.0607 -9.0149 -9.0149 -4.1808 -4.1808 -2.5328 -2.5328 -2.0375 -2.0375 -0.5076 -0.5076 -0.4286 -0.4286 -0.3548 -0.3548 -0.3270 -0.3270 0.5646 0.5646 2.0685 2.0685 2.9225 2.9225 3.1174 3.1174 3.1891 3.1891 3.2038 3.2038 3.7738 3.7738 4.0972 4.0972 4.2459 4.2459 5.0620 5.0620 5.2718 5.2718 11.5205 11.5205 11.5420 11.5420 11.8148 11.8148 12.9165 12.9165 13.1862 13.1862 k =-0.5000 0.2935 0.0169 ( 4564 PWs) bands (ev): -12.7386 -12.7386 -12.5392 -12.5392 -12.1852 -12.1852 -9.3773 -9.3773 -9.0506 -9.0506 -9.0139 -9.0139 -4.1953 -4.1953 -2.5199 -2.5199 -2.0207 -2.0207 -0.5232 -0.5232 -0.4287 -0.4287 -0.3649 -0.3649 -0.3377 -0.3377 0.5621 0.5621 2.0650 2.0650 2.9281 2.9281 3.1239 3.1239 3.1910 3.1910 3.2074 3.2074 3.7733 3.7733 4.0966 4.0966 4.2422 4.2422 5.0636 5.0636 5.2769 5.2769 11.5131 11.5131 11.5433 11.5433 11.8113 11.8113 12.9280 12.9280 13.1797 13.1797 k =-0.5000 0.2935 0.0000 ( 4576 PWs) bands (ev): -12.7388 -12.7388 -12.5391 -12.5391 -12.1863 -12.1863 -9.3776 -9.3776 -9.0473 -9.0473 -9.0135 -9.0135 -4.2001 -4.2001 -2.5156 -2.5156 -2.0149 -2.0149 -0.5286 -0.5286 -0.4287 -0.4287 -0.3690 -0.3690 -0.3404 -0.3404 0.5612 0.5612 2.0639 2.0639 2.9300 2.9300 3.1261 3.1261 3.1913 3.1913 3.2091 3.2091 3.7731 3.7731 4.0964 4.0964 4.2410 4.2410 5.0642 5.0642 5.2786 5.2786 11.5106 11.5106 11.5437 11.5437 11.8101 11.8101 12.9320 12.9320 13.1774 13.1774 k = 0.0000 0.0000 0.5583 ( 4568 PWs) bands (ev): -12.9026 -12.9026 -12.9026 -12.9026 -10.4081 -10.4081 -10.4081 -10.4081 -9.1672 -9.1672 -9.1672 -9.1672 -4.5572 -4.5572 -4.5572 -4.5572 -0.3874 -0.3874 -0.3874 -0.3874 -0.0764 -0.0764 -0.0764 -0.0764 0.7691 0.7691 0.7691 0.7691 2.1224 2.1224 2.1224 2.1224 3.0183 3.0183 3.0183 3.0183 4.1339 4.1339 4.1339 4.1339 4.4398 4.4398 4.4398 4.4398 4.9810 4.9810 4.9810 4.9810 10.6846 10.6846 10.6846 10.6846 11.3295 11.3295 11.3295 11.3295 13.2863 13.2863 k =-0.0147 0.0086 0.5583 ( 4562 PWs) bands (ev): -12.9022 -12.9022 -12.9021 -12.9021 -10.4096 -10.4096 -10.4094 -10.4094 -9.1674 -9.1674 -9.1668 -9.1668 -4.5559 -4.5559 -4.5547 -4.5547 -0.3962 -0.3962 -0.3881 -0.3881 -0.0776 -0.0776 -0.0666 -0.0666 0.7694 0.7694 0.7716 0.7716 2.1200 2.1200 2.1215 2.1215 3.0193 3.0193 3.0202 3.0202 4.1317 4.1317 4.1325 4.1325 4.4351 4.4351 4.4373 4.4373 4.9825 4.9825 4.9834 4.9834 10.6852 10.6852 10.6885 10.6885 11.3297 11.3297 11.3319 11.3319 13.2858 13.2862 k =-0.0294 0.0173 0.5583 ( 4564 PWs) bands (ev): -12.9007 -12.9007 -12.9005 -12.9005 -10.4137 -10.4137 -10.4133 -10.4133 -9.1674 -9.1674 -9.1661 -9.1661 -4.5509 -4.5509 -4.5485 -4.5485 -0.4130 -0.4130 -0.3983 -0.3983 -0.0701 -0.0701 -0.0497 -0.0497 0.7724 0.7724 0.7768 0.7768 2.1142 2.1142 2.1172 2.1172 3.0232 3.0232 3.0250 3.0250 4.1260 4.1260 4.1275 4.1275 4.4234 4.4234 4.4279 4.4279 4.9876 4.9876 4.9894 4.9894 10.6901 10.6901 10.6967 10.6967 11.3324 11.3324 11.3368 11.3368 13.2850 13.2851 k =-0.0441 0.0259 0.5583 ( 4562 PWs) bands (ev): -12.8983 -12.8983 -12.8980 -12.8980 -10.4205 -10.4205 -10.4198 -10.4198 -9.1671 -9.1671 -9.1652 -9.1652 -4.5421 -4.5421 -4.5385 -4.5385 -0.4361 -0.4361 -0.4167 -0.4167 -0.0552 -0.0552 -0.0274 -0.0274 0.7781 0.7781 0.7845 0.7845 2.1052 2.1052 2.1096 2.1096 3.0298 3.0298 3.0325 3.0325 4.1165 4.1165 4.1187 4.1187 4.4060 4.4060 4.4124 4.4124 4.9957 4.9957 4.9982 4.9982 10.6993 10.6993 10.7090 10.7090 11.3378 11.3378 11.3442 11.3442 13.2838 13.2840 k =-0.0588 0.0345 0.5583 ( 4556 PWs) bands (ev): -12.8949 -12.8949 -12.8944 -12.8944 -10.4298 -10.4298 -10.4289 -10.4289 -9.1666 -9.1666 -9.1642 -9.1642 -4.5297 -4.5297 -4.5249 -4.5249 -0.4637 -0.4637 -0.4416 -0.4416 -0.0347 -0.0347 -0.0014 -0.0014 0.7865 0.7865 0.7949 0.7949 2.0929 2.0929 2.0989 2.0989 3.0390 3.0390 3.0427 3.0427 4.1031 4.1031 4.1061 4.1061 4.3840 4.3840 4.3923 4.3923 5.0058 5.0058 5.0089 5.0089 10.7126 10.7126 10.7253 10.7253 11.3458 11.3458 11.3544 11.3544 13.2822 13.2823 k =-0.0735 0.0432 0.5583 ( 4556 PWs) bands (ev): -12.8906 -12.8906 -12.8900 -12.8900 -10.4416 -10.4416 -10.4405 -10.4405 -9.1659 -9.1659 -9.1629 -9.1629 -4.5136 -4.5136 -4.5078 -4.5078 -0.4946 -0.4946 -0.4711 -0.4711 -0.0102 -0.0102 0.0270 0.0270 0.7974 0.7974 0.8077 0.8077 2.0775 2.0775 2.0850 2.0850 3.0505 3.0505 3.0551 3.0551 4.0859 4.0859 4.0894 4.0894 4.3590 4.3590 4.3689 4.3689 5.0169 5.0169 5.0203 5.0203 10.7295 10.7295 10.7451 10.7451 11.3568 11.3568 11.3673 11.3673 13.2799 13.2800 k =-0.0882 0.0518 0.5583 ( 4556 PWs) bands (ev): -12.8852 -12.8852 -12.8845 -12.8845 -10.4557 -10.4557 -10.4544 -10.4544 -9.1651 -9.1651 -9.1616 -9.1616 -4.4941 -4.4941 -4.4871 -4.4871 -0.5280 -0.5280 -0.5039 -0.5039 0.0171 0.0171 0.0571 0.0571 0.8108 0.8108 0.8228 0.8228 2.0592 2.0592 2.0682 2.0682 3.0640 3.0640 3.0695 3.0695 4.0647 4.0647 4.0687 4.0687 4.3324 4.3324 4.3436 4.3436 5.0280 5.0280 5.0317 5.0317 10.7497 10.7497 10.7679 10.7679 11.3708 11.3708 11.3832 11.3832 13.2770 13.2770 k =-0.1029 0.0604 0.5583 ( 4560 PWs) bands (ev): -12.8790 -12.8790 -12.8782 -12.8782 -10.4720 -10.4720 -10.4706 -10.4706 -9.1642 -9.1642 -9.1602 -9.1602 -4.4710 -4.4710 -4.4630 -4.4630 -0.5633 -0.5633 -0.5393 -0.5393 0.0463 0.0463 0.0884 0.0884 0.8266 0.8266 0.8402 0.8402 2.0381 2.0381 2.0486 2.0486 3.0790 3.0790 3.0856 3.0856 4.0397 4.0397 4.0442 4.0442 4.3054 4.3054 4.3176 4.3176 5.0384 5.0384 5.0423 5.0423 10.7727 10.7727 10.7933 10.7933 11.3881 11.3881 11.4022 11.4022 13.2732 13.2732 k =-0.1176 0.0691 0.5583 ( 4560 PWs) bands (ev): -12.8719 -12.8719 -12.8710 -12.8710 -10.4904 -10.4904 -10.4888 -10.4888 -9.1631 -9.1631 -9.1588 -9.1588 -4.4447 -4.4447 -4.4357 -4.4357 -0.6001 -0.6001 -0.5765 -0.5765 0.0770 0.0770 0.1205 0.1205 0.8447 0.8447 0.8597 0.8597 2.0144 2.0144 2.0264 2.0264 3.0950 3.0950 3.1028 3.1028 4.0113 4.0113 4.0162 4.0162 4.2787 4.2787 4.2915 4.2915 5.0474 5.0474 5.0515 5.0515 10.7979 10.7979 10.8206 10.8206 11.4089 11.4089 11.4247 11.4247 13.2683 13.2683 k =-0.1324 0.0777 0.5583 ( 4556 PWs) bands (ev): -12.8639 -12.8639 -12.8629 -12.8629 -10.5106 -10.5106 -10.5089 -10.5089 -9.1620 -9.1620 -9.1574 -9.1574 -4.4152 -4.4152 -4.4053 -4.4053 -0.6380 -0.6380 -0.6152 -0.6152 0.1087 0.1087 0.1532 0.1532 0.8649 0.8649 0.8811 0.8811 1.9881 1.9881 2.0017 2.0017 3.1117 3.1117 3.1206 3.1206 3.9802 3.9802 3.9856 3.9856 4.2528 4.2528 4.2659 4.2659 5.0547 5.0547 5.0588 5.0588 10.8248 10.8248 10.8491 10.8491 11.4334 11.4334 11.4507 11.4507 13.2623 13.2624 k =-0.1471 0.0863 0.5583 ( 4552 PWs) bands (ev): -12.8551 -12.8551 -12.8540 -12.8540 -10.5326 -10.5326 -10.5308 -10.5308 -9.1609 -9.1609 -9.1560 -9.1560 -4.3827 -4.3827 -4.3720 -4.3720 -0.6770 -0.6770 -0.6550 -0.6550 0.1412 0.1412 0.1863 0.1863 0.8871 0.8871 0.9043 0.9043 1.9595 1.9595 1.9746 1.9746 3.1282 3.1282 3.1384 3.1384 3.9473 3.9473 3.9536 3.9536 4.2278 4.2278 4.2408 4.2408 5.0600 5.0600 5.0641 5.0641 10.8528 10.8528 10.8783 10.8783 11.4618 11.4618 11.4805 11.4805 13.2551 13.2551 k =-0.1618 0.0950 0.5583 ( 4556 PWs) bands (ev): -12.8455 -12.8455 -12.8443 -12.8443 -10.5561 -10.5561 -10.5541 -10.5541 -9.1598 -9.1598 -9.1546 -9.1546 -4.3474 -4.3474 -4.3358 -4.3358 -0.7168 -0.7168 -0.6957 -0.6957 0.1743 0.1743 0.2197 0.2197 0.9110 0.9110 0.9293 0.9293 1.9287 1.9287 1.9454 1.9454 3.1439 3.1439 3.1554 3.1554 3.9140 3.9140 3.9213 3.9213 4.2036 4.2036 4.2163 4.2163 5.0629 5.0629 5.0670 5.0670 10.8813 10.8813 10.9075 10.9075 11.4943 11.4943 11.5142 11.5142 13.2465 13.2465 k =-0.1765 0.1036 0.5583 ( 4556 PWs) bands (ev): -12.8352 -12.8352 -12.8340 -12.8340 -10.5809 -10.5809 -10.5788 -10.5788 -9.1588 -9.1588 -9.1534 -9.1534 -4.3094 -4.3094 -4.2972 -4.2972 -0.7573 -0.7573 -0.7371 -0.7371 0.2078 0.2078 0.2534 0.2534 0.9367 0.9367 0.9558 0.9558 1.8959 1.8959 1.9142 1.9142 3.1580 3.1580 3.1709 3.1709 3.8814 3.8814 3.8900 3.8900 4.1801 4.1801 4.1924 4.1924 5.0635 5.0635 5.0676 5.0676 10.9097 10.9097 10.9361 10.9361 11.5309 11.5309 11.5520 11.5520 13.2365 13.2365 k =-0.1912 0.1122 0.5583 ( 4556 PWs) bands (ev): -12.8242 -12.8242 -12.8229 -12.8229 -10.6068 -10.6068 -10.6047 -10.6047 -9.1578 -9.1578 -9.1523 -9.1523 -4.2690 -4.2690 -4.2561 -4.2561 -0.7983 -0.7983 -0.7791 -0.7791 0.2417 0.2417 0.2872 0.2872 0.9639 0.9639 0.9838 0.9838 1.8613 1.8613 1.8812 1.8812 3.1696 3.1696 3.1839 3.1839 3.8512 3.8512 3.8611 3.8611 4.1572 4.1572 4.1689 4.1689 5.0617 5.0617 5.0657 5.0657 10.9376 10.9376 10.9638 10.9638 11.5714 11.5714 11.5938 11.5938 13.2250 13.2251 k =-0.2059 0.1208 0.5583 ( 4556 PWs) bands (ev): -12.8127 -12.8127 -12.8113 -12.8113 -10.6336 -10.6336 -10.6315 -10.6315 -9.1569 -9.1569 -9.1514 -9.1514 -4.2264 -4.2264 -4.2130 -4.2130 -0.8397 -0.8397 -0.8215 -0.8215 0.2757 0.2757 0.3211 0.3211 0.9923 0.9923 1.0130 1.0130 1.8252 1.8252 1.8465 1.8465 3.1777 3.1777 3.1934 3.1934 3.8245 3.8245 3.8357 3.8357 4.1349 4.1349 4.1459 4.1459 5.0575 5.0575 5.0615 5.0615 10.9647 10.9647 10.9902 10.9902 11.6158 11.6158 11.6396 11.6396 13.2121 13.2121 k =-0.2206 0.1295 0.5583 ( 4560 PWs) bands (ev): -12.8005 -12.8005 -12.7991 -12.7991 -10.6611 -10.6611 -10.6589 -10.6589 -9.1561 -9.1561 -9.1506 -9.1506 -4.1819 -4.1819 -4.1680 -4.1680 -0.8815 -0.8815 -0.8642 -0.8642 0.3099 0.3099 0.3549 0.3549 1.0219 1.0219 1.0434 1.0434 1.7877 1.7877 1.8105 1.8105 3.1813 3.1813 3.1984 3.1984 3.8026 3.8026 3.8148 3.8148 4.1132 4.1132 4.1235 4.1235 5.0509 5.0509 5.0550 5.0550 10.9906 10.9906 11.0152 11.0152 11.6636 11.6636 11.6890 11.6890 13.1979 13.1979 k =-0.2353 0.1381 0.5583 ( 4560 PWs) bands (ev): -12.7880 -12.7880 -12.7864 -12.7864 -10.6891 -10.6891 -10.6869 -10.6869 -9.1554 -9.1554 -9.1499 -9.1499 -4.1357 -4.1357 -4.1214 -4.1214 -0.9235 -0.9235 -0.9071 -0.9071 0.3441 0.3441 0.3886 0.3886 1.0524 1.0524 1.0746 1.0746 1.7491 1.7491 1.7735 1.7735 3.1800 3.1800 3.1981 3.1981 3.7863 3.7863 3.7991 3.7991 4.0924 4.0924 4.1019 4.1019 5.0422 5.0422 5.0462 5.0462 11.0154 11.0154 11.0387 11.0387 11.7145 11.7145 11.7417 11.7417 13.1825 13.1825 k =-0.2500 0.1467 0.5583 ( 4568 PWs) bands (ev): -12.7750 -12.7750 -12.7734 -12.7734 -10.7174 -10.7174 -10.7152 -10.7152 -9.1548 -9.1548 -9.1494 -9.1494 -4.0880 -4.0880 -4.0735 -4.0735 -0.9656 -0.9656 -0.9500 -0.9500 0.3781 0.3781 0.4220 0.4220 1.0833 1.0833 1.1066 1.1066 1.7099 1.7099 1.7357 1.7357 3.1732 3.1732 3.1921 3.1921 3.7758 3.7758 3.7887 3.7887 4.0730 4.0730 4.0814 4.0814 5.0314 5.0314 5.0354 5.0354 11.0388 11.0388 11.0607 11.0607 11.7680 11.7680 11.7973 11.7973 13.1659 13.1659 k =-0.2647 0.1554 0.5583 ( 4564 PWs) bands (ev): -12.7617 -12.7617 -12.7602 -12.7602 -10.7457 -10.7457 -10.7435 -10.7435 -9.1544 -9.1544 -9.1491 -9.1491 -4.0393 -4.0393 -4.0246 -4.0246 -1.0077 -1.0077 -0.9929 -0.9929 0.4120 0.4120 0.4553 0.4553 1.1144 1.1144 1.1388 1.1388 1.6705 1.6705 1.6977 1.6977 3.1611 3.1611 3.1805 3.1805 3.7705 3.7705 3.7830 3.7830 4.0554 4.0554 4.0628 4.0628 5.0187 5.0187 5.0227 5.0227 11.0608 11.0608 11.0813 11.0813 11.8236 11.8236 11.8553 11.8553 13.1483 13.1483 k =-0.2794 0.1640 0.5583 ( 4564 PWs) bands (ev): -12.7483 -12.7483 -12.7467 -12.7467 -10.7738 -10.7738 -10.7717 -10.7717 -9.1540 -9.1540 -9.1489 -9.1489 -3.9898 -3.9898 -3.9751 -3.9751 -1.0496 -1.0496 -1.0355 -1.0355 0.4455 0.4455 0.4882 0.4882 1.1450 1.1450 1.1708 1.1708 1.6315 1.6315 1.6601 1.6601 3.1443 3.1443 3.1640 3.1640 3.7691 3.7691 3.7808 3.7808 4.0406 4.0406 4.0469 4.0469 5.0042 5.0042 5.0082 5.0082 11.0816 11.0816 11.1005 11.1005 11.8808 11.8808 11.9151 11.9151 13.1298 13.1298 k =-0.2941 0.1726 0.5583 ( 4564 PWs) bands (ev): -12.7348 -12.7348 -12.7332 -12.7332 -10.8016 -10.8016 -10.7995 -10.7995 -9.1538 -9.1538 -9.1488 -9.1488 -3.9400 -3.9400 -3.9252 -3.9252 -1.0911 -1.0911 -1.0778 -1.0778 0.4787 0.4787 0.5207 0.5207 1.1742 1.1742 1.2019 1.2019 1.5938 1.5938 1.6238 1.6238 3.1235 3.1235 3.1433 3.1433 3.7697 3.7697 3.7803 3.7803 4.0296 4.0296 4.0348 4.0348 4.9881 4.9881 4.9921 4.9921 11.1012 11.1012 11.1185 11.1185 11.9392 11.9392 11.9762 11.9762 13.1104 13.1104 k =-0.3088 0.1813 0.5583 ( 4566 PWs) bands (ev): -12.7213 -12.7213 -12.7198 -12.7198 -10.8288 -10.8288 -10.8267 -10.8267 -9.1536 -9.1536 -9.1489 -9.1489 -3.8901 -3.8901 -3.8755 -3.8755 -1.1320 -1.1320 -1.1195 -1.1195 0.5116 0.5116 0.5528 0.5528 1.2008 1.2008 1.2308 1.2308 1.5587 1.5587 1.5900 1.5900 3.0998 3.0998 3.1195 3.1195 3.7703 3.7703 3.7797 3.7797 4.0233 4.0233 4.0278 4.0278 4.9707 4.9707 4.9747 4.9747 11.1195 11.1195 11.1354 11.1354 11.9982 11.9982 12.0381 12.0381 13.0901 13.0901 k =-0.3235 0.1899 0.5583 ( 4564 PWs) bands (ev): -12.7080 -12.7080 -12.7065 -12.7065 -10.8551 -10.8551 -10.8531 -10.8531 -9.1535 -9.1535 -9.1491 -9.1491 -3.8406 -3.8406 -3.8264 -3.8264 -1.1722 -1.1722 -1.1603 -1.1603 0.5439 0.5439 0.5845 0.5845 1.2226 1.2226 1.2555 1.2555 1.5283 1.5283 1.5606 1.5606 3.0740 3.0740 3.0935 3.0935 3.7690 3.7690 3.7772 3.7772 4.0227 4.0227 4.0271 4.0271 4.9522 4.9522 4.9561 4.9561 11.1366 11.1366 11.1511 11.1511 12.0575 12.0575 12.1004 12.1004 13.0688 13.0688 k =-0.3382 0.1985 0.5583 ( 4568 PWs) bands (ev): -12.6950 -12.6950 -12.6936 -12.6936 -10.8804 -10.8804 -10.8785 -10.8785 -9.1535 -9.1535 -9.1493 -9.1493 -3.7920 -3.7920 -3.7782 -3.7782 -1.2113 -1.2113 -1.2002 -1.2002 0.5759 0.5759 0.6156 0.6156 1.2371 1.2371 1.2728 1.2728 1.5058 1.5058 1.5382 1.5382 3.0470 3.0470 3.0662 3.0662 3.7645 3.7645 3.7719 3.7719 4.0281 4.0281 4.0328 4.0328 4.9327 4.9327 4.9366 4.9366 11.1527 11.1527 11.1657 11.1657 12.1167 12.1167 12.1627 12.1627 13.0466 13.0466 k =-0.3529 0.2072 0.5583 ( 4560 PWs) bands (ev): -12.6825 -12.6825 -12.6810 -12.6810 -10.9045 -10.9045 -10.9026 -10.9026 -9.1535 -9.1535 -9.1497 -9.1497 -3.7447 -3.7447 -3.7315 -3.7315 -1.2490 -1.2490 -1.2387 -1.2387 0.6073 0.6073 0.6463 0.6463 1.2413 1.2413 1.2786 1.2786 1.4951 1.4951 1.5257 1.5257 3.0196 3.0196 3.0383 3.0383 3.7570 3.7570 3.7636 3.7636 4.0392 4.0392 4.0441 4.0441 4.9127 4.9127 4.9164 4.9164 11.1676 11.1676 11.1793 11.1793 12.1753 12.1753 12.2246 12.2246 13.0233 13.0233 k =-0.3676 0.2158 0.5583 ( 4554 PWs) bands (ev): -12.6705 -12.6705 -12.6691 -12.6691 -10.9270 -10.9270 -10.9253 -10.9253 -9.1536 -9.1536 -9.1500 -9.1500 -3.6993 -3.6993 -3.6868 -3.6868 -1.2851 -1.2851 -1.2755 -1.2755 0.6383 0.6383 0.6765 0.6765 1.2338 1.2338 1.2710 1.2710 1.4977 1.4977 1.5245 1.5245 2.9924 2.9924 3.0104 3.0104 3.7470 3.7470 3.7529 3.7529 4.0548 4.0548 4.0599 4.0599 4.8923 4.8923 4.8959 4.8959 11.1814 11.1814 11.1917 11.1917 12.2332 12.2332 12.2858 12.2858 12.9987 12.9987 k =-0.3824 0.2244 0.5583 ( 4558 PWs) bands (ev): -12.6592 -12.6592 -12.6580 -12.6580 -10.9479 -10.9479 -10.9463 -10.9463 -9.1536 -9.1536 -9.1505 -9.1505 -3.6563 -3.6563 -3.6446 -3.6446 -1.3190 -1.3190 -1.3103 -1.3103 0.6687 0.6687 0.7061 0.7061 1.2161 1.2161 1.2521 1.2521 1.5110 1.5110 1.5331 1.5331 2.9661 2.9661 2.9832 2.9832 3.7355 3.7355 3.7408 3.7408 4.0735 4.0735 4.0786 4.0786 4.8719 4.8719 4.8753 4.8753 11.1939 11.1939 11.2031 11.2031 12.2900 12.2900 12.3460 12.3460 12.9727 12.9727 k =-0.3971 0.2331 0.5583 ( 4560 PWs) bands (ev): -12.6489 -12.6489 -12.6477 -12.6477 -10.9668 -10.9668 -10.9654 -10.9654 -9.1537 -9.1537 -9.1509 -9.1509 -3.6163 -3.6163 -3.6056 -3.6056 -1.3505 -1.3505 -1.3426 -1.3426 0.6987 0.6987 0.7352 0.7352 1.1916 1.1916 1.2263 1.2263 1.5304 1.5304 1.5482 1.5482 2.9413 2.9413 2.9572 2.9572 3.7235 3.7235 3.7282 3.7282 4.0940 4.0940 4.0988 4.0988 4.8519 4.8519 4.8551 4.8551 11.2053 11.2053 11.2133 11.2133 12.3455 12.3455 12.4050 12.4050 12.9451 12.9451 k =-0.4118 0.2417 0.5583 ( 4562 PWs) bands (ev): -12.6395 -12.6395 -12.6385 -12.6385 -10.9837 -10.9837 -10.9824 -10.9824 -9.1538 -9.1538 -9.1514 -9.1514 -3.5798 -3.5798 -3.5703 -3.5703 -1.3789 -1.3789 -1.3720 -1.3720 0.7282 0.7282 0.7635 0.7635 1.1634 1.1634 1.1968 1.1968 1.5520 1.5520 1.5664 1.5664 2.9184 2.9184 2.9328 2.9328 3.7119 3.7119 3.7159 3.7159 4.1149 4.1149 4.1193 4.1193 4.8328 4.8328 4.8357 4.8357 11.2155 11.2155 11.2222 11.2222 12.3995 12.3995 12.4624 12.4624 12.9158 12.9158 k =-0.4265 0.2503 0.5583 ( 4554 PWs) bands (ev): -12.6313 -12.6313 -12.6304 -12.6304 -10.9983 -10.9983 -10.9972 -10.9972 -9.1538 -9.1538 -9.1518 -9.1518 -3.5475 -3.5475 -3.5393 -3.5393 -1.4040 -1.4040 -1.3981 -1.3981 0.7571 0.7571 0.7908 0.7908 1.1339 1.1339 1.1659 1.1659 1.5735 1.5735 1.5850 1.5850 2.8981 2.8981 2.9108 2.9108 3.7011 3.7011 3.7045 3.7045 4.1351 4.1351 4.1389 4.1389 4.8150 4.8150 4.8177 4.8177 11.2243 11.2243 11.2298 11.2298 12.4520 12.4520 12.5180 12.5180 12.8849 12.8849 k =-0.4412 0.2590 0.5583 ( 4542 PWs) bands (ev): -12.6244 -12.6244 -12.6236 -12.6236 -11.0105 -11.0105 -11.0096 -11.0096 -9.1539 -9.1539 -9.1522 -9.1522 -3.5199 -3.5199 -3.5132 -3.5132 -1.4252 -1.4252 -1.4203 -1.4203 0.7850 0.7850 0.8167 0.8167 1.1051 1.1051 1.1352 1.1352 1.5932 1.5932 1.6022 1.6022 2.8809 2.8809 2.8915 2.8915 3.6918 3.6918 3.6945 3.6945 4.1535 4.1535 4.1567 4.1567 4.7993 4.7993 4.8016 4.8016 11.2317 11.2317 11.2361 11.2361 12.5027 12.5027 12.5716 12.5716 12.8523 12.8523 k =-0.4559 0.2676 0.5583 ( 4534 PWs) bands (ev): -12.6188 -12.6188 -12.6183 -12.6183 -11.0200 -11.0200 -11.0194 -11.0194 -9.1538 -9.1538 -9.1526 -9.1526 -3.4976 -3.4976 -3.4924 -3.4924 -1.4420 -1.4420 -1.4383 -1.4383 0.8116 0.8116 0.8399 0.8399 1.0788 1.0788 1.1059 1.1059 1.6099 1.6099 1.6166 1.6166 2.8672 2.8672 2.8754 2.8754 3.6843 3.6843 3.6863 3.6863 4.1692 4.1692 4.1717 4.1717 4.7862 4.7862 4.7880 4.7880 11.2376 11.2376 11.2410 11.2410 12.5514 12.5514 12.6222 12.6222 12.8187 12.8187 k =-0.4706 0.2762 0.5583 ( 4522 PWs) bands (ev): -12.6148 -12.6148 -12.6144 -12.6144 -11.0269 -11.0269 -11.0265 -11.0265 -9.1538 -9.1538 -9.1529 -9.1529 -3.4811 -3.4811 -3.4776 -3.4776 -1.4541 -1.4541 -1.4516 -1.4516 0.8358 0.8358 0.8584 0.8584 1.0578 1.0578 1.0796 1.0796 1.6228 1.6228 1.6273 1.6273 2.8575 2.8575 2.8632 2.8632 3.6788 3.6788 3.6802 3.6802 4.1813 4.1813 4.1830 4.1830 4.7764 4.7764 4.7776 4.7776 11.2421 11.2421 11.2443 11.2443 12.5978 12.5978 12.6676 12.6676 12.7860 12.7860 k =-0.4853 0.2849 0.5583 ( 4514 PWs) bands (ev): -12.6123 -12.6123 -12.6121 -12.6121 -11.0311 -11.0311 -11.0308 -11.0308 -9.1536 -9.1536 -9.1532 -9.1532 -3.4706 -3.4706 -3.4688 -3.4688 -1.4613 -1.4613 -1.4600 -1.4600 0.8557 0.8557 0.8688 0.8688 1.0457 1.0457 1.0584 1.0584 1.6313 1.6313 1.6335 1.6335 2.8522 2.8522 2.8550 2.8550 3.6756 3.6756 3.6763 3.6763 4.1890 4.1890 4.1899 4.1899 4.7703 4.7703 4.7710 4.7710 11.2450 11.2450 11.2461 11.2461 12.6413 12.6413 12.6953 12.6953 12.7667 12.7667 k =-0.5000 0.2935 0.5583 ( 4516 PWs) bands (ev): -12.6114 -12.6114 -12.6114 -12.6114 -11.0324 -11.0324 -11.0324 -11.0324 -9.1535 -9.1535 -9.1535 -9.1535 -3.4665 -3.4665 -3.4665 -3.4665 -1.4633 -1.4633 -1.4633 -1.4633 0.8678 0.8678 0.8678 0.8678 1.0460 1.0460 1.0460 1.0460 1.6349 1.6349 1.6349 1.6349 2.8513 2.8513 2.8513 2.8513 3.6747 3.6747 3.6747 3.6747 4.1920 4.1920 4.1920 4.1920 4.7685 4.7685 4.7685 4.7685 11.2464 11.2464 11.2464 11.2464 12.6790 12.6790 12.6790 12.6790 12.7869 12.7869 Writing output data file Ge2N2O.save init_run : 2.85s CPU 11.64s WALL ( 1 calls) electrons : 1030.61s CPU 1040.62s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.06s WALL ( 1 calls) potinit : 0.45s CPU 1.50s WALL ( 1 calls) Called by electrons: c_bands : 1030.53s CPU 1039.99s WALL ( 1 calls) v_of_rho : 0.23s CPU 1.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.23s CPU 0.63s WALL ( 1 calls) newd : 0.23s CPU 0.45s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.09s WALL ( 368 calls) cegterg : 977.79s CPU 983.71s WALL ( 1077 calls) Called by sum_band: Called by *egterg: h_psi : 350.68s CPU 361.77s WALL ( 19642 calls) s_psi : 28.07s CPU 28.57s WALL ( 19642 calls) g_psi : 0.99s CPU 1.01s WALL ( 18197 calls) cdiaghg : 451.39s CPU 447.06s WALL ( 18565 calls) cegterg:over : 82.41s CPU 79.58s WALL ( 18197 calls) cegterg:upda : 18.99s CPU 24.07s WALL ( 18197 calls) cegterg:last : 15.35s CPU 16.30s WALL ( 2505 calls) Called by h_psi: h_psi:vloc : 273.88s CPU 283.02s WALL ( 19642 calls) h_psi:vnl : 76.36s CPU 77.62s WALL ( 19642 calls) add_vuspsi : 21.82s CPU 25.92s WALL ( 19642 calls) General routines calbec : 54.47s CPU 51.52s WALL ( 19642 calls) fft : 0.25s CPU 1.30s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 257.20s CPU 263.43s WALL ( 1665224 calls) interpolate : 0.06s CPU 0.07s WALL ( 4 calls) davcio : 0.04s CPU 1.68s WALL ( 736 calls) Parallel routines fft_scatter : 163.99s CPU 168.19s WALL ( 1665247 calls) PWSCF : 18m16.72s CPU 21m17.92s WALL This run was terminated on: 12:18:52 22Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=