Program PWSCF v.5.1.1 starts on 24Nov2015 at 17:18:22 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 50 29 8 1862 817 126 Max 51 30 9 1867 834 131 Sum 2437 1421 409 89507 39605 6163 bravais-lattice index = 14 lattice parameter (alat) = 10.2889 a.u. unit-cell volume = 908.4866 (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)= 10.288910 celldm(2)= 1.000000 celldm(3)= 0.933025 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.448150 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.448150 0.893958 0.000000 ) a(3) = ( 0.000000 0.000000 0.933025 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.501310 -0.000000 ) b(2) = ( 0.000000 1.118620 -0.000000 ) b(3) = ( 0.000000 0.000000 1.071783 ) 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 ) ( 0.4665124 ) 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= 354 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 2) = ( 0.0090860 0.0147187 -0.0000000), wk = 0.0028249 k( 3) = ( 0.0181720 0.0294374 -0.0000000), wk = 0.0028249 k( 4) = ( 0.0272580 0.0441561 -0.0000000), wk = 0.0028249 k( 5) = ( 0.0363440 0.0588748 -0.0000000), wk = 0.0028249 k( 6) = ( 0.0454300 0.0735934 -0.0000000), wk = 0.0028249 k( 7) = ( 0.0545160 0.0883121 -0.0000000), wk = 0.0028249 k( 8) = ( 0.0636020 0.1030308 -0.0000000), wk = 0.0028249 k( 9) = ( 0.0726880 0.1177495 -0.0000000), wk = 0.0028249 k( 10) = ( 0.0817740 0.1324682 -0.0000000), wk = 0.0028249 k( 11) = ( 0.0908600 0.1471869 -0.0000000), wk = 0.0028249 k( 12) = ( 0.0999460 0.1619056 -0.0000000), wk = 0.0028249 k( 13) = ( 0.1090320 0.1766243 -0.0000000), wk = 0.0028249 k( 14) = ( 0.1181180 0.1913429 -0.0000000), wk = 0.0028249 k( 15) = ( 0.1272040 0.2060616 -0.0000000), wk = 0.0028249 k( 16) = ( 0.1362900 0.2207803 -0.0000000), wk = 0.0028249 k( 17) = ( 0.1453760 0.2354990 -0.0000000), wk = 0.0028249 k( 18) = ( 0.1544620 0.2502177 -0.0000000), wk = 0.0028249 k( 19) = ( 0.1635480 0.2649364 -0.0000000), wk = 0.0028249 k( 20) = ( 0.1726341 0.2796551 -0.0000000), wk = 0.0028249 k( 21) = ( 0.1817200 0.2943738 -0.0000000), wk = 0.0028249 k( 22) = ( 0.1908061 0.3090925 -0.0000000), wk = 0.0028249 k( 23) = ( 0.1998920 0.3238111 -0.0000000), wk = 0.0028249 k( 24) = ( 0.2089781 0.3385298 -0.0000000), wk = 0.0028249 k( 25) = ( 0.2180641 0.3532485 -0.0000000), wk = 0.0028249 k( 26) = ( 0.2271501 0.3679672 -0.0000000), wk = 0.0028249 k( 27) = ( 0.2362361 0.3826859 -0.0000000), wk = 0.0028249 k( 28) = ( 0.2453221 0.3974046 -0.0000000), wk = 0.0028249 k( 29) = ( 0.2544081 0.4121233 -0.0000000), wk = 0.0028249 k( 30) = ( 0.2634941 0.4268420 -0.0000000), wk = 0.0028249 k( 31) = ( 0.2725801 0.4415607 -0.0000000), wk = 0.0028249 k( 32) = ( 0.2816661 0.4562794 -0.0000000), wk = 0.0028249 k( 33) = ( 0.2907521 0.4709980 -0.0000000), wk = 0.0028249 k( 34) = ( 0.2998381 0.4857167 -0.0000000), wk = 0.0028249 k( 35) = ( 0.3089241 0.5004354 -0.0000000), wk = 0.0028249 k( 36) = ( 0.3180101 0.5151541 -0.0000000), wk = 0.0028249 k( 37) = ( 0.3270961 0.5298728 -0.0000000), wk = 0.0028249 k( 38) = ( 0.3361821 0.5445915 -0.0000000), wk = 0.0028249 k( 39) = ( 0.3452681 0.5593102 -0.0000000), wk = 0.0028249 k( 40) = ( 0.3452681 0.5593102 -0.0000000), wk = 0.0028249 k( 41) = ( 0.3280047 0.5593102 -0.0000000), wk = 0.0028249 k( 42) = ( 0.3107413 0.5593102 -0.0000000), wk = 0.0028249 k( 43) = ( 0.2934779 0.5593102 -0.0000000), wk = 0.0028249 k( 44) = ( 0.2762145 0.5593102 -0.0000000), wk = 0.0028249 k( 45) = ( 0.2589511 0.5593102 -0.0000000), wk = 0.0028249 k( 46) = ( 0.2416877 0.5593102 -0.0000000), wk = 0.0028249 k( 47) = ( 0.2244243 0.5593102 -0.0000000), wk = 0.0028249 k( 48) = ( 0.2071609 0.5593102 -0.0000000), wk = 0.0028249 k( 49) = ( 0.1898974 0.5593102 -0.0000000), wk = 0.0028249 k( 50) = ( 0.1726341 0.5593102 -0.0000000), wk = 0.0028249 k( 51) = ( 0.1553706 0.5593102 -0.0000000), wk = 0.0028249 k( 52) = ( 0.1381072 0.5593102 -0.0000000), wk = 0.0028249 k( 53) = ( 0.1208438 0.5593102 -0.0000000), wk = 0.0028249 k( 54) = ( 0.1035804 0.5593102 -0.0000000), wk = 0.0028249 k( 55) = ( 0.0863170 0.5593102 -0.0000000), wk = 0.0028249 k( 56) = ( 0.0690536 0.5593102 -0.0000000), wk = 0.0028249 k( 57) = ( 0.0517902 0.5593102 -0.0000000), wk = 0.0028249 k( 58) = ( 0.0345268 0.5593102 -0.0000000), wk = 0.0028249 k( 59) = ( 0.0172634 0.5593102 -0.0000000), wk = 0.0028249 k( 60) = ( 0.0000000 0.5593102 -0.0000000), wk = 0.0028249 k( 61) = ( 0.0000000 0.5593102 -0.0000000), wk = 0.0028249 k( 62) = ( 0.0000000 0.5593102 0.0172868), wk = 0.0028249 k( 63) = ( 0.0000000 0.5593102 0.0345736), wk = 0.0028249 k( 64) = ( 0.0000000 0.5593102 0.0518605), wk = 0.0028249 k( 65) = ( 0.0000000 0.5593102 0.0691473), wk = 0.0028249 k( 66) = ( 0.0000000 0.5593102 0.0864341), wk = 0.0028249 k( 67) = ( 0.0000000 0.5593102 0.1037209), wk = 0.0028249 k( 68) = ( 0.0000000 0.5593102 0.1210077), wk = 0.0028249 k( 69) = ( 0.0000000 0.5593102 0.1382946), wk = 0.0028249 k( 70) = ( 0.0000000 0.5593102 0.1555814), wk = 0.0028249 k( 71) = ( 0.0000000 0.5593102 0.1728682), wk = 0.0028249 k( 72) = ( 0.0000000 0.5593102 0.1901550), wk = 0.0028249 k( 73) = ( 0.0000000 0.5593102 0.2074418), wk = 0.0028249 k( 74) = ( 0.0000000 0.5593102 0.2247287), wk = 0.0028249 k( 75) = ( 0.0000000 0.5593102 0.2420155), wk = 0.0028249 k( 76) = ( 0.0000000 0.5593102 0.2593023), wk = 0.0028249 k( 77) = ( 0.0000000 0.5593102 0.2765891), wk = 0.0028249 k( 78) = ( 0.0000000 0.5593102 0.2938759), wk = 0.0028249 k( 79) = ( 0.0000000 0.5593102 0.3111628), wk = 0.0028249 k( 80) = ( 0.0000000 0.5593102 0.3284496), wk = 0.0028249 k( 81) = ( 0.0000000 0.5593102 0.3457364), wk = 0.0028249 k( 82) = ( 0.0000000 0.5593102 0.3630232), wk = 0.0028249 k( 83) = ( 0.0000000 0.5593102 0.3803100), wk = 0.0028249 k( 84) = ( 0.0000000 0.5593102 0.3975969), wk = 0.0028249 k( 85) = ( 0.0000000 0.5593102 0.4148837), wk = 0.0028249 k( 86) = ( 0.0000000 0.5593102 0.4321705), wk = 0.0028249 k( 87) = ( 0.0000000 0.5593102 0.4494573), wk = 0.0028249 k( 88) = ( 0.0000000 0.5593102 0.4667441), wk = 0.0028249 k( 89) = ( 0.0000000 0.5593102 0.4840310), wk = 0.0028249 k( 90) = ( 0.0000000 0.5593102 0.5013178), wk = 0.0028249 k( 91) = ( 0.0000000 0.5593102 0.5186046), wk = 0.0028249 k( 92) = ( 0.0000000 0.5593102 0.5358914), wk = 0.0028249 k( 93) = ( 0.0000000 0.5593102 0.5358914), wk = 0.0028249 k( 94) = ( 0.0172634 0.5593102 0.5358914), wk = 0.0028249 k( 95) = ( 0.0345268 0.5593102 0.5358914), wk = 0.0028249 k( 96) = ( 0.0517902 0.5593102 0.5358914), wk = 0.0028249 k( 97) = ( 0.0690536 0.5593102 0.5358914), wk = 0.0028249 k( 98) = ( 0.0863170 0.5593102 0.5358914), wk = 0.0028249 k( 99) = ( 0.1035804 0.5593102 0.5358914), wk = 0.0028249 k( 100) = ( 0.1208438 0.5593102 0.5358914), wk = 0.0028249 k( 101) = ( 0.1381072 0.5593102 0.5358914), wk = 0.0028249 k( 102) = ( 0.1553706 0.5593102 0.5358914), wk = 0.0028249 k( 103) = ( 0.1726341 0.5593102 0.5358914), wk = 0.0028249 k( 104) = ( 0.1898974 0.5593102 0.5358914), wk = 0.0028249 k( 105) = ( 0.2071609 0.5593102 0.5358914), wk = 0.0028249 k( 106) = ( 0.2244243 0.5593102 0.5358914), wk = 0.0028249 k( 107) = ( 0.2416877 0.5593102 0.5358914), wk = 0.0028249 k( 108) = ( 0.2589511 0.5593102 0.5358914), wk = 0.0028249 k( 109) = ( 0.2762145 0.5593102 0.5358914), wk = 0.0028249 k( 110) = ( 0.2934779 0.5593102 0.5358914), wk = 0.0028249 k( 111) = ( 0.3107413 0.5593102 0.5358914), wk = 0.0028249 k( 112) = ( 0.3280047 0.5593102 0.5358914), wk = 0.0028249 k( 113) = ( 0.3452681 0.5593102 0.5358914), wk = 0.0028249 k( 114) = ( 0.3452681 0.5593102 0.5358914), wk = 0.0028249 k( 115) = ( 0.3361821 0.5445915 0.5358914), wk = 0.0028249 k( 116) = ( 0.3270961 0.5298728 0.5358914), wk = 0.0028249 k( 117) = ( 0.3180101 0.5151541 0.5358914), wk = 0.0028249 k( 118) = ( 0.3089241 0.5004354 0.5358914), wk = 0.0028249 k( 119) = ( 0.2998381 0.4857167 0.5358914), wk = 0.0028249 k( 120) = ( 0.2907521 0.4709980 0.5358914), wk = 0.0028249 k( 121) = ( 0.2816661 0.4562794 0.5358914), wk = 0.0028249 k( 122) = ( 0.2725801 0.4415607 0.5358914), wk = 0.0028249 k( 123) = ( 0.2634941 0.4268420 0.5358914), wk = 0.0028249 k( 124) = ( 0.2544081 0.4121233 0.5358914), wk = 0.0028249 k( 125) = ( 0.2453221 0.3974046 0.5358914), wk = 0.0028249 k( 126) = ( 0.2362361 0.3826859 0.5358914), wk = 0.0028249 k( 127) = ( 0.2271501 0.3679672 0.5358914), wk = 0.0028249 k( 128) = ( 0.2180641 0.3532485 0.5358914), wk = 0.0028249 k( 129) = ( 0.2089781 0.3385298 0.5358914), wk = 0.0028249 k( 130) = ( 0.1998920 0.3238111 0.5358914), wk = 0.0028249 k( 131) = ( 0.1908061 0.3090925 0.5358914), wk = 0.0028249 k( 132) = ( 0.1817200 0.2943738 0.5358914), wk = 0.0028249 k( 133) = ( 0.1726341 0.2796551 0.5358914), wk = 0.0028249 k( 134) = ( 0.1635480 0.2649364 0.5358914), wk = 0.0028249 k( 135) = ( 0.1544620 0.2502177 0.5358914), wk = 0.0028249 k( 136) = ( 0.1453760 0.2354990 0.5358914), wk = 0.0028249 k( 137) = ( 0.1362900 0.2207803 0.5358914), wk = 0.0028249 k( 138) = ( 0.1272040 0.2060616 0.5358914), wk = 0.0028249 k( 139) = ( 0.1181180 0.1913429 0.5358914), wk = 0.0028249 k( 140) = ( 0.1090320 0.1766243 0.5358914), wk = 0.0028249 k( 141) = ( 0.0999460 0.1619056 0.5358914), wk = 0.0028249 k( 142) = ( 0.0908600 0.1471869 0.5358914), wk = 0.0028249 k( 143) = ( 0.0817740 0.1324682 0.5358914), wk = 0.0028249 k( 144) = ( 0.0726880 0.1177495 0.5358914), wk = 0.0028249 k( 145) = ( 0.0636020 0.1030308 0.5358914), wk = 0.0028249 k( 146) = ( 0.0545160 0.0883121 0.5358914), wk = 0.0028249 k( 147) = ( 0.0454300 0.0735934 0.5358914), wk = 0.0028249 k( 148) = ( 0.0363440 0.0588748 0.5358914), wk = 0.0028249 k( 149) = ( 0.0272580 0.0441561 0.5358914), wk = 0.0028249 k( 150) = ( 0.0181720 0.0294374 0.5358914), wk = 0.0028249 k( 151) = ( 0.0090860 0.0147187 0.5358914), wk = 0.0028249 k( 152) = ( 0.0000000 0.0000000 0.5358914), wk = 0.0028249 k( 153) = ( 0.0000000 0.0000000 0.5358914), wk = 0.0028249 k( 154) = ( 0.0000000 0.0000000 0.5186046), wk = 0.0028249 k( 155) = ( 0.0000000 0.0000000 0.5013178), wk = 0.0028249 k( 156) = ( 0.0000000 0.0000000 0.4840310), wk = 0.0028249 k( 157) = ( 0.0000000 0.0000000 0.4667441), wk = 0.0028249 k( 158) = ( 0.0000000 0.0000000 0.4494573), wk = 0.0028249 k( 159) = ( 0.0000000 0.0000000 0.4321705), wk = 0.0028249 k( 160) = ( 0.0000000 0.0000000 0.4148837), wk = 0.0028249 k( 161) = ( 0.0000000 0.0000000 0.3975969), wk = 0.0028249 k( 162) = ( 0.0000000 0.0000000 0.3803100), wk = 0.0028249 k( 163) = ( 0.0000000 0.0000000 0.3630232), wk = 0.0028249 k( 164) = ( 0.0000000 0.0000000 0.3457364), wk = 0.0028249 k( 165) = ( 0.0000000 0.0000000 0.3284496), wk = 0.0028249 k( 166) = ( 0.0000000 0.0000000 0.3111628), wk = 0.0028249 k( 167) = ( 0.0000000 0.0000000 0.2938759), wk = 0.0028249 k( 168) = ( 0.0000000 0.0000000 0.2765891), wk = 0.0028249 k( 169) = ( 0.0000000 0.0000000 0.2593023), wk = 0.0028249 k( 170) = ( 0.0000000 0.0000000 0.2420155), wk = 0.0028249 k( 171) = ( 0.0000000 0.0000000 0.2247287), wk = 0.0028249 k( 172) = ( 0.0000000 0.0000000 0.2074418), wk = 0.0028249 k( 173) = ( 0.0000000 0.0000000 0.1901550), wk = 0.0028249 k( 174) = ( 0.0000000 0.0000000 0.1728682), wk = 0.0028249 k( 175) = ( 0.0000000 0.0000000 0.1555814), wk = 0.0028249 k( 176) = ( 0.0000000 0.0000000 0.1382946), wk = 0.0028249 k( 177) = ( 0.0000000 0.0000000 0.1210077), wk = 0.0028249 k( 178) = ( 0.0000000 0.0000000 0.1037209), wk = 0.0028249 k( 179) = ( 0.0000000 0.0000000 0.0864341), wk = 0.0028249 k( 180) = ( 0.0000000 0.0000000 0.0691473), wk = 0.0028249 k( 181) = ( 0.0000000 0.0000000 0.0518605), wk = 0.0028249 k( 182) = ( 0.0000000 0.0000000 0.0345736), wk = 0.0028249 k( 183) = ( 0.0000000 0.0000000 0.0172868), wk = 0.0028249 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 186) = ( -0.0147059 0.0090781 0.0000000), wk = 0.0028249 k( 187) = ( -0.0294118 0.0181562 0.0000000), wk = 0.0028249 k( 188) = ( -0.0441177 0.0272343 0.0000000), wk = 0.0028249 k( 189) = ( -0.0588235 0.0363124 0.0000000), wk = 0.0028249 k( 190) = ( -0.0735294 0.0453905 0.0000000), wk = 0.0028249 k( 191) = ( -0.0882353 0.0544686 0.0000000), wk = 0.0028249 k( 192) = ( -0.1029412 0.0635467 0.0000000), wk = 0.0028249 k( 193) = ( -0.1176471 0.0726248 0.0000000), wk = 0.0028249 k( 194) = ( -0.1323529 0.0817029 0.0000000), wk = 0.0028249 k( 195) = ( -0.1470588 0.0907810 0.0000000), wk = 0.0028249 k( 196) = ( -0.1617647 0.0998591 0.0000000), wk = 0.0028249 k( 197) = ( -0.1764706 0.1089372 0.0000000), wk = 0.0028249 k( 198) = ( -0.1911765 0.1180153 0.0000000), wk = 0.0028249 k( 199) = ( -0.2058823 0.1270934 0.0000000), wk = 0.0028249 k( 200) = ( -0.2205882 0.1361715 0.0000000), wk = 0.0028249 k( 201) = ( -0.2352941 0.1452496 0.0000000), wk = 0.0028249 k( 202) = ( -0.2500000 0.1543276 0.0000000), wk = 0.0028249 k( 203) = ( -0.2647059 0.1634057 0.0000000), wk = 0.0028249 k( 204) = ( -0.2794118 0.1724838 0.0000000), wk = 0.0028249 k( 205) = ( -0.2941177 0.1815619 0.0000000), wk = 0.0028249 k( 206) = ( -0.3088235 0.1906400 0.0000000), wk = 0.0028249 k( 207) = ( -0.3235294 0.1997181 0.0000000), wk = 0.0028249 k( 208) = ( -0.3382353 0.2087962 0.0000000), wk = 0.0028249 k( 209) = ( -0.3529412 0.2178743 0.0000000), wk = 0.0028249 k( 210) = ( -0.3676471 0.2269524 0.0000000), wk = 0.0028249 k( 211) = ( -0.3823529 0.2360305 0.0000000), wk = 0.0028249 k( 212) = ( -0.3970588 0.2451086 0.0000000), wk = 0.0028249 k( 213) = ( -0.4117647 0.2541867 0.0000000), wk = 0.0028249 k( 214) = ( -0.4264706 0.2632648 0.0000000), wk = 0.0028249 k( 215) = ( -0.4411765 0.2723429 0.0000000), wk = 0.0028249 k( 216) = ( -0.4558823 0.2814210 0.0000000), wk = 0.0028249 k( 217) = ( -0.4705882 0.2904991 0.0000000), wk = 0.0028249 k( 218) = ( -0.4852941 0.2995772 0.0000000), wk = 0.0028249 k( 219) = ( -0.5000000 0.3086553 0.0000000), wk = 0.0028249 k( 220) = ( -0.5000000 0.3086553 0.0000000), wk = 0.0028249 k( 221) = ( -0.4908981 0.3233997 -0.0000000), wk = 0.0028249 k( 222) = ( -0.4817962 0.3381441 -0.0000000), wk = 0.0028249 k( 223) = ( -0.4726944 0.3528885 -0.0000000), wk = 0.0028249 k( 224) = ( -0.4635925 0.3676329 -0.0000000), wk = 0.0028249 k( 225) = ( -0.4544906 0.3823773 -0.0000000), wk = 0.0028249 k( 226) = ( -0.4453887 0.3971217 -0.0000000), wk = 0.0028249 k( 227) = ( -0.4362869 0.4118661 -0.0000000), wk = 0.0028249 k( 228) = ( -0.4271850 0.4266105 -0.0000000), wk = 0.0028249 k( 229) = ( -0.4180831 0.4413549 -0.0000000), wk = 0.0028249 k( 230) = ( -0.4089812 0.4560993 -0.0000000), wk = 0.0028249 k( 231) = ( -0.3998794 0.4708438 -0.0000000), wk = 0.0028249 k( 232) = ( -0.3907775 0.4855881 -0.0000000), wk = 0.0028249 k( 233) = ( -0.3816756 0.5003326 -0.0000000), wk = 0.0028249 k( 234) = ( -0.3725737 0.5150770 -0.0000000), wk = 0.0028249 k( 235) = ( -0.3634718 0.5298214 -0.0000000), wk = 0.0028249 k( 236) = ( -0.3543700 0.5445658 -0.0000000), wk = 0.0028249 k( 237) = ( -0.3452681 0.5593102 -0.0000000), wk = 0.0028249 k( 238) = ( -0.3452681 0.5593102 -0.0000000), wk = 0.0028249 k( 239) = ( -0.3452681 0.5593102 0.0172868), wk = 0.0028249 k( 240) = ( -0.3452681 0.5593102 0.0345736), wk = 0.0028249 k( 241) = ( -0.3452681 0.5593102 0.0518605), wk = 0.0028249 k( 242) = ( -0.3452681 0.5593102 0.0691473), wk = 0.0028249 k( 243) = ( -0.3452681 0.5593102 0.0864341), wk = 0.0028249 k( 244) = ( -0.3452681 0.5593102 0.1037209), wk = 0.0028249 k( 245) = ( -0.3452681 0.5593102 0.1210077), wk = 0.0028249 k( 246) = ( -0.3452681 0.5593102 0.1382946), wk = 0.0028249 k( 247) = ( -0.3452681 0.5593102 0.1555814), wk = 0.0028249 k( 248) = ( -0.3452681 0.5593102 0.1728682), wk = 0.0028249 k( 249) = ( -0.3452681 0.5593102 0.1901550), wk = 0.0028249 k( 250) = ( -0.3452681 0.5593102 0.2074418), wk = 0.0028249 k( 251) = ( -0.3452681 0.5593102 0.2247287), wk = 0.0028249 k( 252) = ( -0.3452681 0.5593102 0.2420155), wk = 0.0028249 k( 253) = ( -0.3452681 0.5593102 0.2593023), wk = 0.0028249 k( 254) = ( -0.3452681 0.5593102 0.2765891), wk = 0.0028249 k( 255) = ( -0.3452681 0.5593102 0.2938759), wk = 0.0028249 k( 256) = ( -0.3452681 0.5593102 0.3111628), wk = 0.0028249 k( 257) = ( -0.3452681 0.5593102 0.3284496), wk = 0.0028249 k( 258) = ( -0.3452681 0.5593102 0.3457364), wk = 0.0028249 k( 259) = ( -0.3452681 0.5593102 0.3630232), wk = 0.0028249 k( 260) = ( -0.3452681 0.5593102 0.3803100), wk = 0.0028249 k( 261) = ( -0.3452681 0.5593102 0.3975969), wk = 0.0028249 k( 262) = ( -0.3452681 0.5593102 0.4148837), wk = 0.0028249 k( 263) = ( -0.3452681 0.5593102 0.4321705), wk = 0.0028249 k( 264) = ( -0.3452681 0.5593102 0.4494573), wk = 0.0028249 k( 265) = ( -0.3452681 0.5593102 0.4667441), wk = 0.0028249 k( 266) = ( -0.3452681 0.5593102 0.4840310), wk = 0.0028249 k( 267) = ( -0.3452681 0.5593102 0.5013178), wk = 0.0028249 k( 268) = ( -0.3452681 0.5593102 0.5186046), wk = 0.0028249 k( 269) = ( -0.3452681 0.5593102 0.5358914), wk = 0.0028249 k( 270) = ( -0.3452681 0.5593102 0.5358914), wk = 0.0028249 k( 271) = ( -0.3543700 0.5445658 0.5358914), wk = 0.0028249 k( 272) = ( -0.3634718 0.5298214 0.5358914), wk = 0.0028249 k( 273) = ( -0.3725737 0.5150770 0.5358914), wk = 0.0028249 k( 274) = ( -0.3816756 0.5003326 0.5358914), wk = 0.0028249 k( 275) = ( -0.3907775 0.4855881 0.5358914), wk = 0.0028249 k( 276) = ( -0.3998794 0.4708438 0.5358914), wk = 0.0028249 k( 277) = ( -0.4089812 0.4560993 0.5358914), wk = 0.0028249 k( 278) = ( -0.4180831 0.4413549 0.5358914), wk = 0.0028249 k( 279) = ( -0.4271850 0.4266105 0.5358914), wk = 0.0028249 k( 280) = ( -0.4362869 0.4118661 0.5358914), wk = 0.0028249 k( 281) = ( -0.4453887 0.3971217 0.5358914), wk = 0.0028249 k( 282) = ( -0.4544906 0.3823773 0.5358914), wk = 0.0028249 k( 283) = ( -0.4635925 0.3676329 0.5358914), wk = 0.0028249 k( 284) = ( -0.4726944 0.3528885 0.5358914), wk = 0.0028249 k( 285) = ( -0.4817962 0.3381441 0.5358914), wk = 0.0028249 k( 286) = ( -0.4908981 0.3233997 0.5358914), wk = 0.0028249 k( 287) = ( -0.5000000 0.3086553 0.5358914), wk = 0.0028249 k( 288) = ( -0.5000000 0.3086553 0.5358914), wk = 0.0028249 k( 289) = ( -0.5000000 0.3086553 0.5186046), wk = 0.0028249 k( 290) = ( -0.5000000 0.3086553 0.5013178), wk = 0.0028249 k( 291) = ( -0.5000000 0.3086553 0.4840310), wk = 0.0028249 k( 292) = ( -0.5000000 0.3086553 0.4667441), wk = 0.0028249 k( 293) = ( -0.5000000 0.3086553 0.4494573), wk = 0.0028249 k( 294) = ( -0.5000000 0.3086553 0.4321705), wk = 0.0028249 k( 295) = ( -0.5000000 0.3086553 0.4148837), wk = 0.0028249 k( 296) = ( -0.5000000 0.3086553 0.3975969), wk = 0.0028249 k( 297) = ( -0.5000000 0.3086553 0.3803100), wk = 0.0028249 k( 298) = ( -0.5000000 0.3086553 0.3630232), wk = 0.0028249 k( 299) = ( -0.5000000 0.3086553 0.3457364), wk = 0.0028249 k( 300) = ( -0.5000000 0.3086553 0.3284496), wk = 0.0028249 k( 301) = ( -0.5000000 0.3086553 0.3111628), wk = 0.0028249 k( 302) = ( -0.5000000 0.3086553 0.2938759), wk = 0.0028249 k( 303) = ( -0.5000000 0.3086553 0.2765891), wk = 0.0028249 k( 304) = ( -0.5000000 0.3086553 0.2593023), wk = 0.0028249 k( 305) = ( -0.5000000 0.3086553 0.2420155), wk = 0.0028249 k( 306) = ( -0.5000000 0.3086553 0.2247287), wk = 0.0028249 k( 307) = ( -0.5000000 0.3086553 0.2074418), wk = 0.0028249 k( 308) = ( -0.5000000 0.3086553 0.1901550), wk = 0.0028249 k( 309) = ( -0.5000000 0.3086553 0.1728682), wk = 0.0028249 k( 310) = ( -0.5000000 0.3086553 0.1555814), wk = 0.0028249 k( 311) = ( -0.5000000 0.3086553 0.1382946), wk = 0.0028249 k( 312) = ( -0.5000000 0.3086553 0.1210077), wk = 0.0028249 k( 313) = ( -0.5000000 0.3086553 0.1037209), wk = 0.0028249 k( 314) = ( -0.5000000 0.3086553 0.0864341), wk = 0.0028249 k( 315) = ( -0.5000000 0.3086553 0.0691473), wk = 0.0028249 k( 316) = ( -0.5000000 0.3086553 0.0518605), wk = 0.0028249 k( 317) = ( -0.5000000 0.3086553 0.0345736), wk = 0.0028249 k( 318) = ( -0.5000000 0.3086553 0.0172868), wk = 0.0028249 k( 319) = ( -0.5000000 0.3086553 0.0000000), wk = 0.0028249 k( 320) = ( 0.0000000 0.0000000 0.5358914), wk = 0.0028249 k( 321) = ( -0.0147059 0.0090781 0.5358914), wk = 0.0028249 k( 322) = ( -0.0294118 0.0181562 0.5358914), wk = 0.0028249 k( 323) = ( -0.0441177 0.0272343 0.5358914), wk = 0.0028249 k( 324) = ( -0.0588235 0.0363124 0.5358914), wk = 0.0028249 k( 325) = ( -0.0735294 0.0453905 0.5358914), wk = 0.0028249 k( 326) = ( -0.0882353 0.0544686 0.5358914), wk = 0.0028249 k( 327) = ( -0.1029412 0.0635467 0.5358914), wk = 0.0028249 k( 328) = ( -0.1176471 0.0726248 0.5358914), wk = 0.0028249 k( 329) = ( -0.1323529 0.0817029 0.5358914), wk = 0.0028249 k( 330) = ( -0.1470588 0.0907810 0.5358914), wk = 0.0028249 k( 331) = ( -0.1617647 0.0998591 0.5358914), wk = 0.0028249 k( 332) = ( -0.1764706 0.1089372 0.5358914), wk = 0.0028249 k( 333) = ( -0.1911765 0.1180153 0.5358914), wk = 0.0028249 k( 334) = ( -0.2058823 0.1270934 0.5358914), wk = 0.0028249 k( 335) = ( -0.2205882 0.1361715 0.5358914), wk = 0.0028249 k( 336) = ( -0.2352941 0.1452496 0.5358914), wk = 0.0028249 k( 337) = ( -0.2500000 0.1543276 0.5358914), wk = 0.0028249 k( 338) = ( -0.2647059 0.1634057 0.5358914), wk = 0.0028249 k( 339) = ( -0.2794118 0.1724838 0.5358914), wk = 0.0028249 k( 340) = ( -0.2941177 0.1815619 0.5358914), wk = 0.0028249 k( 341) = ( -0.3088235 0.1906400 0.5358914), wk = 0.0028249 k( 342) = ( -0.3235294 0.1997181 0.5358914), wk = 0.0028249 k( 343) = ( -0.3382353 0.2087962 0.5358914), wk = 0.0028249 k( 344) = ( -0.3529412 0.2178743 0.5358914), wk = 0.0028249 k( 345) = ( -0.3676471 0.2269524 0.5358914), wk = 0.0028249 k( 346) = ( -0.3823529 0.2360305 0.5358914), wk = 0.0028249 k( 347) = ( -0.3970588 0.2451086 0.5358914), wk = 0.0028249 k( 348) = ( -0.4117647 0.2541867 0.5358914), wk = 0.0028249 k( 349) = ( -0.4264706 0.2632648 0.5358914), wk = 0.0028249 k( 350) = ( -0.4411765 0.2723429 0.5358914), wk = 0.0028249 k( 351) = ( -0.4558823 0.2814210 0.5358914), wk = 0.0028249 k( 352) = ( -0.4705882 0.2904991 0.5358914), wk = 0.0028249 k( 353) = ( -0.4852941 0.2995772 0.5358914), wk = 0.0028249 k( 354) = ( -0.5000000 0.3086553 0.5358914), wk = 0.0028249 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 2) = ( 0.0090860 0.0090860 -0.0000000), wk = 0.0028249 k( 3) = ( 0.0181720 0.0181720 -0.0000000), wk = 0.0028249 k( 4) = ( 0.0272580 0.0272580 -0.0000000), wk = 0.0028249 k( 5) = ( 0.0363440 0.0363440 -0.0000000), wk = 0.0028249 k( 6) = ( 0.0454300 0.0454300 -0.0000000), wk = 0.0028249 k( 7) = ( 0.0545160 0.0545160 0.0000000), wk = 0.0028249 k( 8) = ( 0.0636020 0.0636020 -0.0000000), wk = 0.0028249 k( 9) = ( 0.0726880 0.0726880 -0.0000000), wk = 0.0028249 k( 10) = ( 0.0817740 0.0817740 -0.0000000), wk = 0.0028249 k( 11) = ( 0.0908600 0.0908600 -0.0000000), wk = 0.0028249 k( 12) = ( 0.0999460 0.0999460 -0.0000000), wk = 0.0028249 k( 13) = ( 0.1090320 0.1090320 -0.0000000), wk = 0.0028249 k( 14) = ( 0.1181180 0.1181180 -0.0000000), wk = 0.0028249 k( 15) = ( 0.1272040 0.1272040 -0.0000000), wk = 0.0028249 k( 16) = ( 0.1362900 0.1362900 -0.0000000), wk = 0.0028249 k( 17) = ( 0.1453760 0.1453760 -0.0000000), wk = 0.0028249 k( 18) = ( 0.1544620 0.1544620 -0.0000000), wk = 0.0028249 k( 19) = ( 0.1635480 0.1635480 -0.0000000), wk = 0.0028249 k( 20) = ( 0.1726341 0.1726341 -0.0000000), wk = 0.0028249 k( 21) = ( 0.1817200 0.1817200 -0.0000000), wk = 0.0028249 k( 22) = ( 0.1908061 0.1908060 0.0000000), wk = 0.0028249 k( 23) = ( 0.1998920 0.1998920 0.0000000), wk = 0.0028249 k( 24) = ( 0.2089781 0.2089781 -0.0000000), wk = 0.0028249 k( 25) = ( 0.2180641 0.2180641 -0.0000000), wk = 0.0028249 k( 26) = ( 0.2271501 0.2271501 -0.0000000), wk = 0.0028249 k( 27) = ( 0.2362361 0.2362361 -0.0000000), wk = 0.0028249 k( 28) = ( 0.2453221 0.2453221 -0.0000000), wk = 0.0028249 k( 29) = ( 0.2544081 0.2544081 -0.0000000), wk = 0.0028249 k( 30) = ( 0.2634941 0.2634941 -0.0000000), wk = 0.0028249 k( 31) = ( 0.2725801 0.2725801 0.0000000), wk = 0.0028249 k( 32) = ( 0.2816661 0.2816661 -0.0000000), wk = 0.0028249 k( 33) = ( 0.2907521 0.2907521 -0.0000000), wk = 0.0028249 k( 34) = ( 0.2998381 0.2998381 -0.0000000), wk = 0.0028249 k( 35) = ( 0.3089241 0.3089241 -0.0000000), wk = 0.0028249 k( 36) = ( 0.3180101 0.3180101 0.0000000), wk = 0.0028249 k( 37) = ( 0.3270961 0.3270961 -0.0000000), wk = 0.0028249 k( 38) = ( 0.3361821 0.3361821 -0.0000000), wk = 0.0028249 k( 39) = ( 0.3452681 0.3452681 0.0000000), wk = 0.0028249 k( 40) = ( 0.3452681 0.3452681 0.0000000), wk = 0.0028249 k( 41) = ( 0.3280047 0.3530047 -0.0000000), wk = 0.0028249 k( 42) = ( 0.3107413 0.3607413 0.0000000), wk = 0.0028249 k( 43) = ( 0.2934779 0.3684779 -0.0000000), wk = 0.0028249 k( 44) = ( 0.2762145 0.3762145 -0.0000000), wk = 0.0028249 k( 45) = ( 0.2589511 0.3839511 -0.0000000), wk = 0.0028249 k( 46) = ( 0.2416877 0.3916877 -0.0000000), wk = 0.0028249 k( 47) = ( 0.2244243 0.3994243 -0.0000000), wk = 0.0028249 k( 48) = ( 0.2071609 0.4071609 -0.0000000), wk = 0.0028249 k( 49) = ( 0.1898974 0.4148974 -0.0000000), wk = 0.0028249 k( 50) = ( 0.1726341 0.4226340 -0.0000000), wk = 0.0028249 k( 51) = ( 0.1553706 0.4303706 0.0000000), wk = 0.0028249 k( 52) = ( 0.1381072 0.4381072 0.0000000), wk = 0.0028249 k( 53) = ( 0.1208438 0.4458438 -0.0000000), wk = 0.0028249 k( 54) = ( 0.1035804 0.4535804 0.0000000), wk = 0.0028249 k( 55) = ( 0.0863170 0.4613170 -0.0000000), wk = 0.0028249 k( 56) = ( 0.0690536 0.4690536 -0.0000000), wk = 0.0028249 k( 57) = ( 0.0517902 0.4767902 0.0000000), wk = 0.0028249 k( 58) = ( 0.0345268 0.4845268 0.0000000), wk = 0.0028249 k( 59) = ( 0.0172634 0.4922634 -0.0000000), wk = 0.0028249 k( 60) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028249 k( 61) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028249 k( 62) = ( 0.0000000 0.5000000 0.0161290), wk = 0.0028249 k( 63) = ( 0.0000000 0.5000000 0.0322581), wk = 0.0028249 k( 64) = ( 0.0000000 0.5000000 0.0483871), wk = 0.0028249 k( 65) = ( 0.0000000 0.5000000 0.0645161), wk = 0.0028249 k( 66) = ( 0.0000000 0.5000000 0.0806452), wk = 0.0028249 k( 67) = ( 0.0000000 0.5000000 0.0967742), wk = 0.0028249 k( 68) = ( 0.0000000 0.5000000 0.1129032), wk = 0.0028249 k( 69) = ( 0.0000000 0.5000000 0.1290323), wk = 0.0028249 k( 70) = ( 0.0000000 0.5000000 0.1451613), wk = 0.0028249 k( 71) = ( 0.0000000 0.5000000 0.1612903), wk = 0.0028249 k( 72) = ( 0.0000000 0.5000000 0.1774194), wk = 0.0028249 k( 73) = ( 0.0000000 0.5000000 0.1935484), wk = 0.0028249 k( 74) = ( 0.0000000 0.5000000 0.2096774), wk = 0.0028249 k( 75) = ( 0.0000000 0.5000000 0.2258064), wk = 0.0028249 k( 76) = ( 0.0000000 0.5000000 0.2419355), wk = 0.0028249 k( 77) = ( 0.0000000 0.5000000 0.2580645), wk = 0.0028249 k( 78) = ( 0.0000000 0.5000000 0.2741936), wk = 0.0028249 k( 79) = ( 0.0000000 0.5000000 0.2903226), wk = 0.0028249 k( 80) = ( 0.0000000 0.5000000 0.3064516), wk = 0.0028249 k( 81) = ( 0.0000000 0.5000000 0.3225807), wk = 0.0028249 k( 82) = ( 0.0000000 0.5000000 0.3387097), wk = 0.0028249 k( 83) = ( 0.0000000 0.5000000 0.3548387), wk = 0.0028249 k( 84) = ( 0.0000000 0.5000000 0.3709677), wk = 0.0028249 k( 85) = ( 0.0000000 0.5000000 0.3870968), wk = 0.0028249 k( 86) = ( 0.0000000 0.5000000 0.4032258), wk = 0.0028249 k( 87) = ( 0.0000000 0.5000000 0.4193548), wk = 0.0028249 k( 88) = ( 0.0000000 0.5000000 0.4354839), wk = 0.0028249 k( 89) = ( 0.0000000 0.5000000 0.4516129), wk = 0.0028249 k( 90) = ( 0.0000000 0.5000000 0.4677419), wk = 0.0028249 k( 91) = ( 0.0000000 0.5000000 0.4838710), wk = 0.0028249 k( 92) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028249 k( 93) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028249 k( 94) = ( 0.0172634 0.4922634 0.5000000), wk = 0.0028249 k( 95) = ( 0.0345268 0.4845268 0.5000000), wk = 0.0028249 k( 96) = ( 0.0517902 0.4767902 0.5000000), wk = 0.0028249 k( 97) = ( 0.0690536 0.4690536 0.5000000), wk = 0.0028249 k( 98) = ( 0.0863170 0.4613170 0.5000000), wk = 0.0028249 k( 99) = ( 0.1035804 0.4535804 0.5000000), wk = 0.0028249 k( 100) = ( 0.1208438 0.4458438 0.5000000), wk = 0.0028249 k( 101) = ( 0.1381072 0.4381072 0.5000000), wk = 0.0028249 k( 102) = ( 0.1553706 0.4303706 0.5000000), wk = 0.0028249 k( 103) = ( 0.1726341 0.4226340 0.5000000), wk = 0.0028249 k( 104) = ( 0.1898974 0.4148974 0.5000000), wk = 0.0028249 k( 105) = ( 0.2071609 0.4071609 0.5000000), wk = 0.0028249 k( 106) = ( 0.2244243 0.3994243 0.5000000), wk = 0.0028249 k( 107) = ( 0.2416877 0.3916877 0.5000000), wk = 0.0028249 k( 108) = ( 0.2589511 0.3839511 0.5000000), wk = 0.0028249 k( 109) = ( 0.2762145 0.3762145 0.5000000), wk = 0.0028249 k( 110) = ( 0.2934779 0.3684779 0.5000000), wk = 0.0028249 k( 111) = ( 0.3107413 0.3607413 0.5000000), wk = 0.0028249 k( 112) = ( 0.3280047 0.3530047 0.5000000), wk = 0.0028249 k( 113) = ( 0.3452681 0.3452681 0.5000000), wk = 0.0028249 k( 114) = ( 0.3452681 0.3452681 0.5000000), wk = 0.0028249 k( 115) = ( 0.3361821 0.3361821 0.5000000), wk = 0.0028249 k( 116) = ( 0.3270961 0.3270961 0.5000000), wk = 0.0028249 k( 117) = ( 0.3180101 0.3180101 0.5000000), wk = 0.0028249 k( 118) = ( 0.3089241 0.3089241 0.5000000), wk = 0.0028249 k( 119) = ( 0.2998381 0.2998381 0.5000000), wk = 0.0028249 k( 120) = ( 0.2907521 0.2907521 0.5000000), wk = 0.0028249 k( 121) = ( 0.2816661 0.2816661 0.5000000), wk = 0.0028249 k( 122) = ( 0.2725801 0.2725801 0.5000000), wk = 0.0028249 k( 123) = ( 0.2634941 0.2634941 0.5000000), wk = 0.0028249 k( 124) = ( 0.2544081 0.2544081 0.5000000), wk = 0.0028249 k( 125) = ( 0.2453221 0.2453221 0.5000000), wk = 0.0028249 k( 126) = ( 0.2362361 0.2362361 0.5000000), wk = 0.0028249 k( 127) = ( 0.2271501 0.2271501 0.5000000), wk = 0.0028249 k( 128) = ( 0.2180641 0.2180641 0.5000000), wk = 0.0028249 k( 129) = ( 0.2089781 0.2089781 0.5000000), wk = 0.0028249 k( 130) = ( 0.1998920 0.1998920 0.5000000), wk = 0.0028249 k( 131) = ( 0.1908061 0.1908060 0.5000000), wk = 0.0028249 k( 132) = ( 0.1817200 0.1817200 0.5000000), wk = 0.0028249 k( 133) = ( 0.1726341 0.1726341 0.5000000), wk = 0.0028249 k( 134) = ( 0.1635480 0.1635480 0.5000000), wk = 0.0028249 k( 135) = ( 0.1544620 0.1544620 0.5000000), wk = 0.0028249 k( 136) = ( 0.1453760 0.1453760 0.5000000), wk = 0.0028249 k( 137) = ( 0.1362900 0.1362900 0.5000000), wk = 0.0028249 k( 138) = ( 0.1272040 0.1272040 0.5000000), wk = 0.0028249 k( 139) = ( 0.1181180 0.1181180 0.5000000), wk = 0.0028249 k( 140) = ( 0.1090320 0.1090320 0.5000000), wk = 0.0028249 k( 141) = ( 0.0999460 0.0999460 0.5000000), wk = 0.0028249 k( 142) = ( 0.0908600 0.0908600 0.5000000), wk = 0.0028249 k( 143) = ( 0.0817740 0.0817740 0.5000000), wk = 0.0028249 k( 144) = ( 0.0726880 0.0726880 0.5000000), wk = 0.0028249 k( 145) = ( 0.0636020 0.0636020 0.5000000), wk = 0.0028249 k( 146) = ( 0.0545160 0.0545160 0.5000000), wk = 0.0028249 k( 147) = ( 0.0454300 0.0454300 0.5000000), wk = 0.0028249 k( 148) = ( 0.0363440 0.0363440 0.5000000), wk = 0.0028249 k( 149) = ( 0.0272580 0.0272580 0.5000000), wk = 0.0028249 k( 150) = ( 0.0181720 0.0181720 0.5000000), wk = 0.0028249 k( 151) = ( 0.0090860 0.0090860 0.5000000), wk = 0.0028249 k( 152) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 153) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 154) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0028249 k( 155) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0028249 k( 156) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0028249 k( 157) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0028249 k( 158) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0028249 k( 159) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0028249 k( 160) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0028249 k( 161) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0028249 k( 162) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0028249 k( 163) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0028249 k( 164) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0028249 k( 165) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0028249 k( 166) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0028249 k( 167) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0028249 k( 168) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0028249 k( 169) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0028249 k( 170) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0028249 k( 171) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0028249 k( 172) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0028249 k( 173) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0028249 k( 174) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0028249 k( 175) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0028249 k( 176) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0028249 k( 177) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0028249 k( 178) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0028249 k( 179) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0028249 k( 180) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0028249 k( 181) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0028249 k( 182) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0028249 k( 183) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0028249 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 186) = ( -0.0147059 0.0147059 0.0000000), wk = 0.0028249 k( 187) = ( -0.0294118 0.0294118 0.0000000), wk = 0.0028249 k( 188) = ( -0.0441177 0.0441176 0.0000000), wk = 0.0028249 k( 189) = ( -0.0588235 0.0588235 0.0000000), wk = 0.0028249 k( 190) = ( -0.0735294 0.0735294 0.0000000), wk = 0.0028249 k( 191) = ( -0.0882353 0.0882353 0.0000000), wk = 0.0028249 k( 192) = ( -0.1029412 0.1029412 -0.0000000), wk = 0.0028249 k( 193) = ( -0.1176471 0.1176471 0.0000000), wk = 0.0028249 k( 194) = ( -0.1323529 0.1323529 0.0000000), wk = 0.0028249 k( 195) = ( -0.1470588 0.1470588 0.0000000), wk = 0.0028249 k( 196) = ( -0.1617647 0.1617647 0.0000000), wk = 0.0028249 k( 197) = ( -0.1764706 0.1764706 -0.0000000), wk = 0.0028249 k( 198) = ( -0.1911765 0.1911765 0.0000000), wk = 0.0028249 k( 199) = ( -0.2058823 0.2058823 0.0000000), wk = 0.0028249 k( 200) = ( -0.2205882 0.2205882 0.0000000), wk = 0.0028249 k( 201) = ( -0.2352941 0.2352941 0.0000000), wk = 0.0028249 k( 202) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0028249 k( 203) = ( -0.2647059 0.2647059 0.0000000), wk = 0.0028249 k( 204) = ( -0.2794118 0.2794118 0.0000000), wk = 0.0028249 k( 205) = ( -0.2941177 0.2941176 0.0000000), wk = 0.0028249 k( 206) = ( -0.3088235 0.3088235 0.0000000), wk = 0.0028249 k( 207) = ( -0.3235294 0.3235294 0.0000000), wk = 0.0028249 k( 208) = ( -0.3382353 0.3382353 0.0000000), wk = 0.0028249 k( 209) = ( -0.3529412 0.3529412 -0.0000000), wk = 0.0028249 k( 210) = ( -0.3676471 0.3676471 0.0000000), wk = 0.0028249 k( 211) = ( -0.3823529 0.3823529 0.0000000), wk = 0.0028249 k( 212) = ( -0.3970588 0.3970588 0.0000000), wk = 0.0028249 k( 213) = ( -0.4117647 0.4117647 0.0000000), wk = 0.0028249 k( 214) = ( -0.4264706 0.4264706 0.0000000), wk = 0.0028249 k( 215) = ( -0.4411765 0.4411765 0.0000000), wk = 0.0028249 k( 216) = ( -0.4558823 0.4558823 0.0000000), wk = 0.0028249 k( 217) = ( -0.4705882 0.4705882 0.0000000), wk = 0.0028249 k( 218) = ( -0.4852941 0.4852941 0.0000000), wk = 0.0028249 k( 219) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028249 k( 220) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028249 k( 221) = ( -0.4908981 0.5091019 0.0000000), wk = 0.0028249 k( 222) = ( -0.4817962 0.5182037 0.0000000), wk = 0.0028249 k( 223) = ( -0.4726944 0.5273056 0.0000000), wk = 0.0028249 k( 224) = ( -0.4635925 0.5364075 0.0000000), wk = 0.0028249 k( 225) = ( -0.4544906 0.5455094 0.0000000), wk = 0.0028249 k( 226) = ( -0.4453887 0.5546113 0.0000000), wk = 0.0028249 k( 227) = ( -0.4362869 0.5637131 0.0000000), wk = 0.0028249 k( 228) = ( -0.4271850 0.5728150 0.0000000), wk = 0.0028249 k( 229) = ( -0.4180831 0.5819169 0.0000000), wk = 0.0028249 k( 230) = ( -0.4089812 0.5910188 0.0000000), wk = 0.0028249 k( 231) = ( -0.3998794 0.6001207 0.0000000), wk = 0.0028249 k( 232) = ( -0.3907775 0.6092225 -0.0000000), wk = 0.0028249 k( 233) = ( -0.3816756 0.6183244 0.0000000), wk = 0.0028249 k( 234) = ( -0.3725737 0.6274263 0.0000000), wk = 0.0028249 k( 235) = ( -0.3634718 0.6365281 -0.0000000), wk = 0.0028249 k( 236) = ( -0.3543700 0.6456300 0.0000000), wk = 0.0028249 k( 237) = ( -0.3452681 0.6547319 0.0000000), wk = 0.0028249 k( 238) = ( -0.3452681 0.6547319 0.0000000), wk = 0.0028249 k( 239) = ( -0.3452681 0.6547319 0.0161290), wk = 0.0028249 k( 240) = ( -0.3452681 0.6547319 0.0322581), wk = 0.0028249 k( 241) = ( -0.3452681 0.6547319 0.0483871), wk = 0.0028249 k( 242) = ( -0.3452681 0.6547319 0.0645161), wk = 0.0028249 k( 243) = ( -0.3452681 0.6547319 0.0806452), wk = 0.0028249 k( 244) = ( -0.3452681 0.6547319 0.0967742), wk = 0.0028249 k( 245) = ( -0.3452681 0.6547319 0.1129032), wk = 0.0028249 k( 246) = ( -0.3452681 0.6547319 0.1290323), wk = 0.0028249 k( 247) = ( -0.3452681 0.6547319 0.1451613), wk = 0.0028249 k( 248) = ( -0.3452681 0.6547319 0.1612903), wk = 0.0028249 k( 249) = ( -0.3452681 0.6547319 0.1774194), wk = 0.0028249 k( 250) = ( -0.3452681 0.6547319 0.1935484), wk = 0.0028249 k( 251) = ( -0.3452681 0.6547319 0.2096774), wk = 0.0028249 k( 252) = ( -0.3452681 0.6547319 0.2258064), wk = 0.0028249 k( 253) = ( -0.3452681 0.6547319 0.2419355), wk = 0.0028249 k( 254) = ( -0.3452681 0.6547319 0.2580645), wk = 0.0028249 k( 255) = ( -0.3452681 0.6547319 0.2741936), wk = 0.0028249 k( 256) = ( -0.3452681 0.6547319 0.2903226), wk = 0.0028249 k( 257) = ( -0.3452681 0.6547319 0.3064516), wk = 0.0028249 k( 258) = ( -0.3452681 0.6547319 0.3225807), wk = 0.0028249 k( 259) = ( -0.3452681 0.6547319 0.3387097), wk = 0.0028249 k( 260) = ( -0.3452681 0.6547319 0.3548387), wk = 0.0028249 k( 261) = ( -0.3452681 0.6547319 0.3709677), wk = 0.0028249 k( 262) = ( -0.3452681 0.6547319 0.3870968), wk = 0.0028249 k( 263) = ( -0.3452681 0.6547319 0.4032258), wk = 0.0028249 k( 264) = ( -0.3452681 0.6547319 0.4193548), wk = 0.0028249 k( 265) = ( -0.3452681 0.6547319 0.4354839), wk = 0.0028249 k( 266) = ( -0.3452681 0.6547319 0.4516129), wk = 0.0028249 k( 267) = ( -0.3452681 0.6547319 0.4677419), wk = 0.0028249 k( 268) = ( -0.3452681 0.6547319 0.4838710), wk = 0.0028249 k( 269) = ( -0.3452681 0.6547319 0.5000000), wk = 0.0028249 k( 270) = ( -0.3452681 0.6547319 0.5000000), wk = 0.0028249 k( 271) = ( -0.3543700 0.6456300 0.5000000), wk = 0.0028249 k( 272) = ( -0.3634718 0.6365281 0.5000000), wk = 0.0028249 k( 273) = ( -0.3725737 0.6274263 0.5000000), wk = 0.0028249 k( 274) = ( -0.3816756 0.6183244 0.5000000), wk = 0.0028249 k( 275) = ( -0.3907775 0.6092225 0.5000000), wk = 0.0028249 k( 276) = ( -0.3998794 0.6001207 0.5000000), wk = 0.0028249 k( 277) = ( -0.4089812 0.5910188 0.5000000), wk = 0.0028249 k( 278) = ( -0.4180831 0.5819169 0.5000000), wk = 0.0028249 k( 279) = ( -0.4271850 0.5728150 0.5000000), wk = 0.0028249 k( 280) = ( -0.4362869 0.5637131 0.5000000), wk = 0.0028249 k( 281) = ( -0.4453887 0.5546113 0.5000000), wk = 0.0028249 k( 282) = ( -0.4544906 0.5455094 0.5000000), wk = 0.0028249 k( 283) = ( -0.4635925 0.5364075 0.5000000), wk = 0.0028249 k( 284) = ( -0.4726944 0.5273056 0.5000000), wk = 0.0028249 k( 285) = ( -0.4817962 0.5182037 0.5000000), wk = 0.0028249 k( 286) = ( -0.4908981 0.5091019 0.5000000), wk = 0.0028249 k( 287) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028249 k( 288) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028249 k( 289) = ( -0.5000000 0.5000000 0.4838710), wk = 0.0028249 k( 290) = ( -0.5000000 0.5000000 0.4677419), wk = 0.0028249 k( 291) = ( -0.5000000 0.5000000 0.4516129), wk = 0.0028249 k( 292) = ( -0.5000000 0.5000000 0.4354839), wk = 0.0028249 k( 293) = ( -0.5000000 0.5000000 0.4193548), wk = 0.0028249 k( 294) = ( -0.5000000 0.5000000 0.4032258), wk = 0.0028249 k( 295) = ( -0.5000000 0.5000000 0.3870968), wk = 0.0028249 k( 296) = ( -0.5000000 0.5000000 0.3709677), wk = 0.0028249 k( 297) = ( -0.5000000 0.5000000 0.3548387), wk = 0.0028249 k( 298) = ( -0.5000000 0.5000000 0.3387097), wk = 0.0028249 k( 299) = ( -0.5000000 0.5000000 0.3225807), wk = 0.0028249 k( 300) = ( -0.5000000 0.5000000 0.3064516), wk = 0.0028249 k( 301) = ( -0.5000000 0.5000000 0.2903226), wk = 0.0028249 k( 302) = ( -0.5000000 0.5000000 0.2741936), wk = 0.0028249 k( 303) = ( -0.5000000 0.5000000 0.2580645), wk = 0.0028249 k( 304) = ( -0.5000000 0.5000000 0.2419355), wk = 0.0028249 k( 305) = ( -0.5000000 0.5000000 0.2258064), wk = 0.0028249 k( 306) = ( -0.5000000 0.5000000 0.2096774), wk = 0.0028249 k( 307) = ( -0.5000000 0.5000000 0.1935484), wk = 0.0028249 k( 308) = ( -0.5000000 0.5000000 0.1774194), wk = 0.0028249 k( 309) = ( -0.5000000 0.5000000 0.1612903), wk = 0.0028249 k( 310) = ( -0.5000000 0.5000000 0.1451613), wk = 0.0028249 k( 311) = ( -0.5000000 0.5000000 0.1290323), wk = 0.0028249 k( 312) = ( -0.5000000 0.5000000 0.1129032), wk = 0.0028249 k( 313) = ( -0.5000000 0.5000000 0.0967742), wk = 0.0028249 k( 314) = ( -0.5000000 0.5000000 0.0806452), wk = 0.0028249 k( 315) = ( -0.5000000 0.5000000 0.0645161), wk = 0.0028249 k( 316) = ( -0.5000000 0.5000000 0.0483871), wk = 0.0028249 k( 317) = ( -0.5000000 0.5000000 0.0322581), wk = 0.0028249 k( 318) = ( -0.5000000 0.5000000 0.0161290), wk = 0.0028249 k( 319) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028249 k( 320) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 321) = ( -0.0147059 0.0147059 0.5000000), wk = 0.0028249 k( 322) = ( -0.0294118 0.0294118 0.5000000), wk = 0.0028249 k( 323) = ( -0.0441177 0.0441176 0.5000000), wk = 0.0028249 k( 324) = ( -0.0588235 0.0588235 0.5000000), wk = 0.0028249 k( 325) = ( -0.0735294 0.0735294 0.5000000), wk = 0.0028249 k( 326) = ( -0.0882353 0.0882353 0.5000000), wk = 0.0028249 k( 327) = ( -0.1029412 0.1029412 0.5000000), wk = 0.0028249 k( 328) = ( -0.1176471 0.1176471 0.5000000), wk = 0.0028249 k( 329) = ( -0.1323529 0.1323529 0.5000000), wk = 0.0028249 k( 330) = ( -0.1470588 0.1470588 0.5000000), wk = 0.0028249 k( 331) = ( -0.1617647 0.1617647 0.5000000), wk = 0.0028249 k( 332) = ( -0.1764706 0.1764706 0.5000000), wk = 0.0028249 k( 333) = ( -0.1911765 0.1911765 0.5000000), wk = 0.0028249 k( 334) = ( -0.2058823 0.2058823 0.5000000), wk = 0.0028249 k( 335) = ( -0.2205882 0.2205882 0.5000000), wk = 0.0028249 k( 336) = ( -0.2352941 0.2352941 0.5000000), wk = 0.0028249 k( 337) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0028249 k( 338) = ( -0.2647059 0.2647059 0.5000000), wk = 0.0028249 k( 339) = ( -0.2794118 0.2794118 0.5000000), wk = 0.0028249 k( 340) = ( -0.2941177 0.2941176 0.5000000), wk = 0.0028249 k( 341) = ( -0.3088235 0.3088235 0.5000000), wk = 0.0028249 k( 342) = ( -0.3235294 0.3235294 0.5000000), wk = 0.0028249 k( 343) = ( -0.3382353 0.3382353 0.5000000), wk = 0.0028249 k( 344) = ( -0.3529412 0.3529412 0.5000000), wk = 0.0028249 k( 345) = ( -0.3676471 0.3676471 0.5000000), wk = 0.0028249 k( 346) = ( -0.3823529 0.3823529 0.5000000), wk = 0.0028249 k( 347) = ( -0.3970588 0.3970588 0.5000000), wk = 0.0028249 k( 348) = ( -0.4117647 0.4117647 0.5000000), wk = 0.0028249 k( 349) = ( -0.4264706 0.4264706 0.5000000), wk = 0.0028249 k( 350) = ( -0.4411765 0.4411765 0.5000000), wk = 0.0028249 k( 351) = ( -0.4558823 0.4558823 0.5000000), wk = 0.0028249 k( 352) = ( -0.4705882 0.4705882 0.5000000), wk = 0.0028249 k( 353) = ( -0.4852941 0.4852941 0.5000000), wk = 0.0028249 k( 354) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028249 Dense grid: 89507 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 39605 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 224, 58) NL pseudopotentials 0.24 Mb ( 112, 140) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1865) G-vector shells 0.01 Mb ( 958) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.79 Mb ( 224, 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 41.3 secs Computing kpt #: 2 total cpu time spent up to now is 44.1 secs Computing kpt #: 3 total cpu time spent up to now is 46.9 secs Computing kpt #: 4 total cpu time spent up to now is 50.0 secs Computing kpt #: 5 total cpu time spent up to now is 53.5 secs Computing kpt #: 6 total cpu time spent up to now is 56.9 secs Computing kpt #: 7 total cpu time spent up to now is 63.8 secs Computing kpt #: 8 total cpu time spent up to now is 68.2 secs Computing kpt #: 9 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 73.0 secs Computing kpt #: 10 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 77.9 secs Computing kpt #: 11 total cpu time spent up to now is 81.3 secs Computing kpt #: 12 total cpu time spent up to now is 84.8 secs Computing kpt #: 13 total cpu time spent up to now is 92.0 secs Computing kpt #: 14 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 96.9 secs Computing kpt #: 15 total cpu time spent up to now is 100.8 secs Computing kpt #: 16 total cpu time spent up to now is 105.0 secs Computing kpt #: 17 total cpu time spent up to now is 108.5 secs Computing kpt #: 18 total cpu time spent up to now is 111.3 secs Computing kpt #: 19 total cpu time spent up to now is 116.2 secs Computing kpt #: 20 total cpu time spent up to now is 120.2 secs Computing kpt #: 21 total cpu time spent up to now is 123.0 secs Computing kpt #: 22 total cpu time spent up to now is 126.0 secs Computing kpt #: 23 total cpu time spent up to now is 128.6 secs Computing kpt #: 24 total cpu time spent up to now is 131.1 secs Computing kpt #: 25 total cpu time spent up to now is 133.6 secs Computing kpt #: 26 total cpu time spent up to now is 136.2 secs Computing kpt #: 27 total cpu time spent up to now is 140.7 secs Computing kpt #: 28 total cpu time spent up to now is 145.2 secs Computing kpt #: 29 total cpu time spent up to now is 147.9 secs Computing kpt #: 30 total cpu time spent up to now is 150.6 secs Computing kpt #: 31 total cpu time spent up to now is 153.3 secs Computing kpt #: 32 total cpu time spent up to now is 156.0 secs Computing kpt #: 33 total cpu time spent up to now is 158.7 secs Computing kpt #: 34 total cpu time spent up to now is 160.9 secs Computing kpt #: 35 total cpu time spent up to now is 163.1 secs Computing kpt #: 36 total cpu time spent up to now is 166.8 secs Computing kpt #: 37 total cpu time spent up to now is 170.8 secs Computing kpt #: 38 total cpu time spent up to now is 172.9 secs Computing kpt #: 39 total cpu time spent up to now is 175.0 secs Computing kpt #: 40 total cpu time spent up to now is 177.4 secs Computing kpt #: 41 total cpu time spent up to now is 179.7 secs Computing kpt #: 42 total cpu time spent up to now is 182.4 secs Computing kpt #: 43 total cpu time spent up to now is 185.0 secs Computing kpt #: 44 total cpu time spent up to now is 187.2 secs Computing kpt #: 45 total cpu time spent up to now is 189.3 secs Computing kpt #: 46 total cpu time spent up to now is 191.5 secs Computing kpt #: 47 total cpu time spent up to now is 196.7 secs Computing kpt #: 48 total cpu time spent up to now is 199.6 secs Computing kpt #: 49 total cpu time spent up to now is 201.7 secs Computing kpt #: 50 total cpu time spent up to now is 203.9 secs Computing kpt #: 51 total cpu time spent up to now is 206.4 secs Computing kpt #: 52 total cpu time spent up to now is 208.8 secs Computing kpt #: 53 total cpu time spent up to now is 211.0 secs Computing kpt #: 54 total cpu time spent up to now is 213.5 secs Computing kpt #: 55 total cpu time spent up to now is 216.0 secs Computing kpt #: 56 total cpu time spent up to now is 218.9 secs Computing kpt #: 57 total cpu time spent up to now is 224.2 secs Computing kpt #: 58 total cpu time spent up to now is 226.6 secs Computing kpt #: 59 total cpu time spent up to now is 229.1 secs Computing kpt #: 60 total cpu time spent up to now is 231.5 secs Computing kpt #: 61 total cpu time spent up to now is 233.9 secs Computing kpt #: 62 total cpu time spent up to now is 237.1 secs Computing kpt #: 63 total cpu time spent up to now is 239.6 secs Computing kpt #: 64 total cpu time spent up to now is 242.2 secs Computing kpt #: 65 total cpu time spent up to now is 244.8 secs Computing kpt #: 66 total cpu time spent up to now is 250.3 secs Computing kpt #: 67 total cpu time spent up to now is 252.8 secs Computing kpt #: 68 total cpu time spent up to now is 255.1 secs Computing kpt #: 69 total cpu time spent up to now is 257.6 secs Computing kpt #: 70 total cpu time spent up to now is 260.0 secs Computing kpt #: 71 total cpu time spent up to now is 262.4 secs Computing kpt #: 72 total cpu time spent up to now is 264.7 secs Computing kpt #: 73 total cpu time spent up to now is 267.2 secs Computing kpt #: 74 total cpu time spent up to now is 271.3 secs Computing kpt #: 75 total cpu time spent up to now is 275.9 secs Computing kpt #: 76 total cpu time spent up to now is 278.6 secs Computing kpt #: 77 total cpu time spent up to now is 281.5 secs Computing kpt #: 78 total cpu time spent up to now is 285.2 secs Computing kpt #: 79 total cpu time spent up to now is 288.8 secs Computing kpt #: 80 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 294.0 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 300.2 secs Computing kpt #: 82 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 306.0 secs Computing kpt #: 83 total cpu time spent up to now is 311.9 secs Computing kpt #: 84 total cpu time spent up to now is 316.1 secs Computing kpt #: 85 total cpu time spent up to now is 319.8 secs Computing kpt #: 86 total cpu time spent up to now is 322.6 secs Computing kpt #: 87 total cpu time spent up to now is 326.0 secs Computing kpt #: 88 total cpu time spent up to now is 329.0 secs Computing kpt #: 89 total cpu time spent up to now is 333.8 secs Computing kpt #: 90 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 339.6 secs Computing kpt #: 91 total cpu time spent up to now is 344.2 secs Computing kpt #: 92 total cpu time spent up to now is 347.5 secs Computing kpt #: 93 total cpu time spent up to now is 350.4 secs Computing kpt #: 94 total cpu time spent up to now is 353.7 secs Computing kpt #: 95 total cpu time spent up to now is 356.9 secs Computing kpt #: 96 total cpu time spent up to now is 359.6 secs Computing kpt #: 97 total cpu time spent up to now is 363.3 secs Computing kpt #: 98 total cpu time spent up to now is 366.6 secs Computing kpt #: 99 total cpu time spent up to now is 369.5 secs Computing kpt #: 100 total cpu time spent up to now is 372.5 secs Computing kpt #: 101 total cpu time spent up to now is 375.7 secs Computing kpt #: 102 total cpu time spent up to now is 378.6 secs Computing kpt #: 103 total cpu time spent up to now is 382.2 secs Computing kpt #: 104 total cpu time spent up to now is 384.9 secs Computing kpt #: 105 total cpu time spent up to now is 388.0 secs Computing kpt #: 106 total cpu time spent up to now is 390.8 secs Computing kpt #: 107 total cpu time spent up to now is 393.7 secs Computing kpt #: 108 total cpu time spent up to now is 396.5 secs Computing kpt #: 109 total cpu time spent up to now is 399.3 secs Computing kpt #: 110 total cpu time spent up to now is 402.2 secs Computing kpt #: 111 total cpu time spent up to now is 405.0 secs Computing kpt #: 112 total cpu time spent up to now is 407.9 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 413.0 secs Computing kpt #: 114 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 417.8 secs Computing kpt #: 115 total cpu time spent up to now is 422.3 secs Computing kpt #: 116 total cpu time spent up to now is 425.7 secs Computing kpt #: 117 total cpu time spent up to now is 429.2 secs Computing kpt #: 118 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 433.8 secs Computing kpt #: 119 total cpu time spent up to now is 437.3 secs Computing kpt #: 120 total cpu time spent up to now is 441.1 secs Computing kpt #: 121 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 445.6 secs Computing kpt #: 122 total cpu time spent up to now is 449.0 secs Computing kpt #: 123 total cpu time spent up to now is 451.8 secs Computing kpt #: 124 total cpu time spent up to now is 454.6 secs Computing kpt #: 125 total cpu time spent up to now is 458.1 secs Computing kpt #: 126 total cpu time spent up to now is 461.5 secs Computing kpt #: 127 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 465.9 secs Computing kpt #: 128 total cpu time spent up to now is 469.7 secs Computing kpt #: 129 total cpu time spent up to now is 472.3 secs Computing kpt #: 130 total cpu time spent up to now is 476.4 secs Computing kpt #: 131 total cpu time spent up to now is 481.6 secs Computing kpt #: 132 total cpu time spent up to now is 484.3 secs Computing kpt #: 133 total cpu time spent up to now is 488.8 secs Computing kpt #: 134 total cpu time spent up to now is 493.3 secs Computing kpt #: 135 total cpu time spent up to now is 496.6 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 501.0 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 505.7 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 510.6 secs Computing kpt #: 139 total cpu time spent up to now is 514.1 secs Computing kpt #: 140 total cpu time spent up to now is 517.8 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 522.5 secs Computing kpt #: 142 total cpu time spent up to now is 525.9 secs Computing kpt #: 143 total cpu time spent up to now is 530.6 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 535.4 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 539.8 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 544.5 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 549.5 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 554.1 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 558.8 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 563.5 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 568.3 secs Computing kpt #: 152 total cpu time spent up to now is 570.4 secs Computing kpt #: 153 total cpu time spent up to now is 572.6 secs Computing kpt #: 154 total cpu time spent up to now is 575.2 secs Computing kpt #: 155 total cpu time spent up to now is 577.4 secs Computing kpt #: 156 total cpu time spent up to now is 579.9 secs Computing kpt #: 157 total cpu time spent up to now is 582.1 secs Computing kpt #: 158 total cpu time spent up to now is 584.0 secs Computing kpt #: 159 total cpu time spent up to now is 586.5 secs Computing kpt #: 160 total cpu time spent up to now is 588.6 secs Computing kpt #: 161 total cpu time spent up to now is 590.6 secs Computing kpt #: 162 total cpu time spent up to now is 592.8 secs Computing kpt #: 163 total cpu time spent up to now is 594.7 secs Computing kpt #: 164 total cpu time spent up to now is 596.5 secs Computing kpt #: 165 total cpu time spent up to now is 598.8 secs Computing kpt #: 166 total cpu time spent up to now is 600.6 secs Computing kpt #: 167 total cpu time spent up to now is 602.5 secs Computing kpt #: 168 total cpu time spent up to now is 604.7 secs Computing kpt #: 169 total cpu time spent up to now is 606.7 secs Computing kpt #: 170 total cpu time spent up to now is 608.8 secs Computing kpt #: 171 total cpu time spent up to now is 611.1 secs Computing kpt #: 172 total cpu time spent up to now is 614.3 secs Computing kpt #: 173 total cpu time spent up to now is 616.4 secs Computing kpt #: 174 total cpu time spent up to now is 618.5 secs Computing kpt #: 175 total cpu time spent up to now is 620.7 secs Computing kpt #: 176 total cpu time spent up to now is 623.4 secs Computing kpt #: 177 total cpu time spent up to now is 625.4 secs Computing kpt #: 178 total cpu time spent up to now is 627.6 secs Computing kpt #: 179 total cpu time spent up to now is 630.3 secs Computing kpt #: 180 total cpu time spent up to now is 633.5 secs Computing kpt #: 181 total cpu time spent up to now is 637.0 secs Computing kpt #: 182 total cpu time spent up to now is 639.8 secs Computing kpt #: 183 total cpu time spent up to now is 642.2 secs Computing kpt #: 184 total cpu time spent up to now is 644.9 secs Computing kpt #: 185 total cpu time spent up to now is 647.9 secs Computing kpt #: 186 total cpu time spent up to now is 650.4 secs Computing kpt #: 187 total cpu time spent up to now is 653.1 secs Computing kpt #: 188 total cpu time spent up to now is 655.8 secs Computing kpt #: 189 total cpu time spent up to now is 659.0 secs Computing kpt #: 190 total cpu time spent up to now is 662.1 secs Computing kpt #: 191 total cpu time spent up to now is 665.2 secs Computing kpt #: 192 total cpu time spent up to now is 668.1 secs Computing kpt #: 193 total cpu time spent up to now is 670.9 secs Computing kpt #: 194 total cpu time spent up to now is 673.7 secs Computing kpt #: 195 total cpu time spent up to now is 676.4 secs Computing kpt #: 196 total cpu time spent up to now is 679.2 secs Computing kpt #: 197 total cpu time spent up to now is 681.9 secs Computing kpt #: 198 total cpu time spent up to now is 684.7 secs Computing kpt #: 199 total cpu time spent up to now is 687.1 secs Computing kpt #: 200 total cpu time spent up to now is 689.7 secs Computing kpt #: 201 total cpu time spent up to now is 692.0 secs Computing kpt #: 202 total cpu time spent up to now is 694.3 secs Computing kpt #: 203 total cpu time spent up to now is 696.6 secs Computing kpt #: 204 total cpu time spent up to now is 698.8 secs Computing kpt #: 205 total cpu time spent up to now is 701.2 secs Computing kpt #: 206 total cpu time spent up to now is 703.9 secs Computing kpt #: 207 total cpu time spent up to now is 706.1 secs Computing kpt #: 208 total cpu time spent up to now is 708.3 secs Computing kpt #: 209 total cpu time spent up to now is 710.6 secs Computing kpt #: 210 total cpu time spent up to now is 713.0 secs Computing kpt #: 211 total cpu time spent up to now is 715.3 secs Computing kpt #: 212 total cpu time spent up to now is 717.7 secs Computing kpt #: 213 total cpu time spent up to now is 720.2 secs Computing kpt #: 214 total cpu time spent up to now is 722.8 secs Computing kpt #: 215 total cpu time spent up to now is 725.5 secs Computing kpt #: 216 total cpu time spent up to now is 728.2 secs Computing kpt #: 217 total cpu time spent up to now is 730.9 secs Computing kpt #: 218 total cpu time spent up to now is 733.5 secs Computing kpt #: 219 total cpu time spent up to now is 735.7 secs Computing kpt #: 220 total cpu time spent up to now is 738.1 secs Computing kpt #: 221 total cpu time spent up to now is 741.0 secs Computing kpt #: 222 total cpu time spent up to now is 743.6 secs Computing kpt #: 223 total cpu time spent up to now is 745.8 secs Computing kpt #: 224 total cpu time spent up to now is 748.4 secs Computing kpt #: 225 total cpu time spent up to now is 750.9 secs Computing kpt #: 226 total cpu time spent up to now is 753.3 secs Computing kpt #: 227 total cpu time spent up to now is 755.8 secs Computing kpt #: 228 total cpu time spent up to now is 757.9 secs Computing kpt #: 229 total cpu time spent up to now is 760.0 secs Computing kpt #: 230 total cpu time spent up to now is 762.1 secs Computing kpt #: 231 total cpu time spent up to now is 764.5 secs Computing kpt #: 232 total cpu time spent up to now is 766.6 secs Computing kpt #: 233 total cpu time spent up to now is 768.7 secs Computing kpt #: 234 total cpu time spent up to now is 770.7 secs Computing kpt #: 235 total cpu time spent up to now is 772.9 secs Computing kpt #: 236 total cpu time spent up to now is 774.9 secs Computing kpt #: 237 total cpu time spent up to now is 777.0 secs Computing kpt #: 238 total cpu time spent up to now is 778.9 secs Computing kpt #: 239 total cpu time spent up to now is 781.1 secs Computing kpt #: 240 total cpu time spent up to now is 783.2 secs Computing kpt #: 241 total cpu time spent up to now is 785.2 secs Computing kpt #: 242 total cpu time spent up to now is 787.1 secs Computing kpt #: 243 total cpu time spent up to now is 789.2 secs Computing kpt #: 244 total cpu time spent up to now is 791.2 secs Computing kpt #: 245 total cpu time spent up to now is 793.3 secs Computing kpt #: 246 total cpu time spent up to now is 795.4 secs Computing kpt #: 247 total cpu time spent up to now is 797.7 secs Computing kpt #: 248 total cpu time spent up to now is 799.9 secs Computing kpt #: 249 total cpu time spent up to now is 802.6 secs Computing kpt #: 250 total cpu time spent up to now is 805.0 secs Computing kpt #: 251 total cpu time spent up to now is 807.7 secs Computing kpt #: 252 total cpu time spent up to now is 810.7 secs Computing kpt #: 253 total cpu time spent up to now is 813.1 secs Computing kpt #: 254 total cpu time spent up to now is 815.8 secs Computing kpt #: 255 total cpu time spent up to now is 818.6 secs Computing kpt #: 256 total cpu time spent up to now is 821.3 secs Computing kpt #: 257 total cpu time spent up to now is 824.0 secs Computing kpt #: 258 total cpu time spent up to now is 826.9 secs Computing kpt #: 259 total cpu time spent up to now is 829.5 secs Computing kpt #: 260 total cpu time spent up to now is 832.3 secs Computing kpt #: 261 total cpu time spent up to now is 835.2 secs Computing kpt #: 262 total cpu time spent up to now is 837.9 secs Computing kpt #: 263 total cpu time spent up to now is 840.5 secs Computing kpt #: 264 total cpu time spent up to now is 843.3 secs Computing kpt #: 265 total cpu time spent up to now is 846.0 secs Computing kpt #: 266 total cpu time spent up to now is 848.6 secs Computing kpt #: 267 total cpu time spent up to now is 851.5 secs Computing kpt #: 268 total cpu time spent up to now is 854.3 secs Computing kpt #: 269 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 859.0 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 863.7 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 868.8 secs Computing kpt #: 272 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 873.6 secs Computing kpt #: 273 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 878.9 secs Computing kpt #: 274 total cpu time spent up to now is 882.3 secs Computing kpt #: 275 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 887.0 secs Computing kpt #: 276 total cpu time spent up to now is 892.5 secs Computing kpt #: 277 total cpu time spent up to now is 897.1 secs Computing kpt #: 278 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 902.4 secs Computing kpt #: 279 total cpu time spent up to now is 905.7 secs Computing kpt #: 280 total cpu time spent up to now is 908.0 secs Computing kpt #: 281 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 912.5 secs Computing kpt #: 282 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 917.4 secs Computing kpt #: 283 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 922.0 secs Computing kpt #: 284 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 926.8 secs Computing kpt #: 285 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 932.1 secs Computing kpt #: 286 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 937.1 secs Computing kpt #: 287 total cpu time spent up to now is 939.0 secs Computing kpt #: 288 total cpu time spent up to now is 941.0 secs Computing kpt #: 289 total cpu time spent up to now is 943.9 secs Computing kpt #: 290 total cpu time spent up to now is 946.6 secs Computing kpt #: 291 total cpu time spent up to now is 949.0 secs Computing kpt #: 292 total cpu time spent up to now is 951.8 secs Computing kpt #: 293 total cpu time spent up to now is 954.5 secs Computing kpt #: 294 total cpu time spent up to now is 956.7 secs Computing kpt #: 295 total cpu time spent up to now is 958.9 secs Computing kpt #: 296 total cpu time spent up to now is 961.0 secs Computing kpt #: 297 total cpu time spent up to now is 963.4 secs Computing kpt #: 298 total cpu time spent up to now is 965.7 secs Computing kpt #: 299 total cpu time spent up to now is 968.1 secs Computing kpt #: 300 total cpu time spent up to now is 970.3 secs Computing kpt #: 301 total cpu time spent up to now is 972.6 secs Computing kpt #: 302 total cpu time spent up to now is 974.8 secs Computing kpt #: 303 total cpu time spent up to now is 977.5 secs Computing kpt #: 304 total cpu time spent up to now is 979.7 secs Computing kpt #: 305 total cpu time spent up to now is 982.0 secs Computing kpt #: 306 total cpu time spent up to now is 984.2 secs Computing kpt #: 307 total cpu time spent up to now is 986.6 secs Computing kpt #: 308 total cpu time spent up to now is 989.2 secs Computing kpt #: 309 total cpu time spent up to now is 992.1 secs Computing kpt #: 310 total cpu time spent up to now is 994.6 secs Computing kpt #: 311 total cpu time spent up to now is 997.3 secs Computing kpt #: 312 total cpu time spent up to now is 1000.4 secs Computing kpt #: 313 total cpu time spent up to now is 1003.5 secs Computing kpt #: 314 total cpu time spent up to now is 1007.9 secs Computing kpt #: 315 total cpu time spent up to now is 1010.4 secs Computing kpt #: 316 total cpu time spent up to now is 1012.8 secs Computing kpt #: 317 total cpu time spent up to now is 1015.5 secs Computing kpt #: 318 total cpu time spent up to now is 1018.6 secs Computing kpt #: 319 total cpu time spent up to now is 1021.5 secs Computing kpt #: 320 total cpu time spent up to now is 1023.7 secs Computing kpt #: 321 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1028.6 secs Computing kpt #: 322 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1033.5 secs Computing kpt #: 323 total cpu time spent up to now is 1037.2 secs Computing kpt #: 324 total cpu time spent up to now is 1041.6 secs Computing kpt #: 325 total cpu time spent up to now is 1045.6 secs Computing kpt #: 326 total cpu time spent up to now is 1050.4 secs Computing kpt #: 327 total cpu time spent up to now is 1054.9 secs Computing kpt #: 328 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1059.6 secs Computing kpt #: 329 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1064.6 secs Computing kpt #: 330 total cpu time spent up to now is 1068.5 secs Computing kpt #: 331 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1073.1 secs Computing kpt #: 332 total cpu time spent up to now is 1077.3 secs Computing kpt #: 333 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1081.9 secs Computing kpt #: 334 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1087.2 secs Computing kpt #: 335 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1092.0 secs Computing kpt #: 336 total cpu time spent up to now is 1095.9 secs Computing kpt #: 337 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1100.9 secs Computing kpt #: 338 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1105.8 secs Computing kpt #: 339 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1110.9 secs Computing kpt #: 340 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1116.0 secs Computing kpt #: 341 total cpu time spent up to now is 1119.3 secs Computing kpt #: 342 total cpu time spent up to now is 1123.8 secs Computing kpt #: 343 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1128.5 secs Computing kpt #: 344 total cpu time spent up to now is 1132.7 secs Computing kpt #: 345 total cpu time spent up to now is 1137.3 secs Computing kpt #: 346 total cpu time spent up to now is 1141.9 secs Computing kpt #: 347 total cpu time spent up to now is 1146.7 secs Computing kpt #: 348 total cpu time spent up to now is 1151.2 secs Computing kpt #: 349 total cpu time spent up to now is 1155.4 secs Computing kpt #: 350 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1160.9 secs Computing kpt #: 351 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1165.6 secs Computing kpt #: 352 total cpu time spent up to now is 1170.4 secs Computing kpt #: 353 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1175.4 secs Computing kpt #: 354 total cpu time spent up to now is 1178.3 secs ethr = 2.08E-11, avg # of iterations = 57.1 total cpu time spent up to now is 1178.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4925 PWs) bands (ev): -13.6603 -13.6603 -13.0479 -13.0479 -11.2243 -11.2243 -9.8159 -9.8159 -9.6081 -9.6081 -9.3698 -9.3698 -4.2650 -4.2650 -3.8588 -3.8588 -3.8163 -3.8163 -0.9707 -0.9707 -0.8056 -0.8056 -0.6290 -0.6290 0.3523 0.3523 0.9116 0.9116 1.4115 1.4115 1.4481 1.4481 2.3653 2.3653 2.7175 2.7175 3.0873 3.0873 3.3509 3.3509 3.8105 3.8105 3.8686 3.8686 4.0448 4.0448 4.0967 4.0967 7.3096 7.3096 9.3699 9.3699 9.9991 9.9991 10.5656 10.5656 12.3388 12.3388 k = 0.0091 0.0147-0.0000 ( 4933 PWs) bands (ev): -13.6599 -13.6599 -13.0480 -13.0479 -11.2239 -11.2237 -9.8342 -9.8259 -9.6005 -9.5906 -9.3700 -9.3690 -4.2645 -4.2640 -3.9038 -3.8953 -3.7781 -3.7677 -0.9815 -0.9648 -0.8073 -0.8059 -0.6344 -0.6227 0.3545 0.3589 0.9120 0.9126 1.4081 1.4102 1.4440 1.4475 2.3652 2.3655 2.7156 2.7173 3.0885 3.0889 3.3499 3.3500 3.8014 3.8063 3.8680 3.8684 4.0466 4.0498 4.0965 4.0966 7.3137 7.3137 9.3715 9.3727 10.0002 10.0003 10.5666 10.5670 12.3222 12.3293 k = 0.0182 0.0294-0.0000 ( 4931 PWs) bands (ev): -13.6586 -13.6585 -13.0481 -13.0480 -11.2225 -11.2221 -9.8718 -9.8594 -9.5729 -9.5571 -9.3695 -9.3675 -4.2623 -4.2614 -3.9576 -3.9496 -3.7167 -3.7050 -0.9967 -0.9642 -0.8112 -0.8083 -0.6382 -0.6154 0.3653 0.3741 0.9138 0.9150 1.4002 1.4044 1.4355 1.4423 2.3652 2.3657 2.7119 2.7153 3.0923 3.0933 3.3471 3.3473 3.7806 3.7894 3.8668 3.8674 4.0547 4.0602 4.0961 4.0962 7.3261 7.3262 9.3776 9.3800 10.0034 10.0037 10.5699 10.5707 12.2892 12.2994 k = 0.0273 0.0442-0.0000 ( 4947 PWs) bands (ev): -13.6564 -13.6563 -13.0483 -13.0482 -11.2201 -11.2195 -9.9194 -9.9054 -9.5360 -9.5170 -9.3683 -9.3653 -4.2585 -4.2572 -4.0094 -4.0023 -3.6517 -3.6390 -1.0161 -0.9695 -0.8171 -0.8126 -0.6395 -0.6072 0.3844 0.3974 0.9170 0.9189 1.3878 1.3940 1.4225 1.4325 2.3651 2.3660 2.7067 2.7117 3.0980 3.0996 3.3426 3.3428 3.7509 3.7626 3.8652 3.8658 4.0664 4.0734 4.0954 4.0957 7.3466 7.3467 9.3879 9.3915 10.0089 10.0092 10.5754 10.5766 12.2484 12.2595 k = 0.0363 0.0589-0.0000 ( 4939 PWs) bands (ev): -13.6534 -13.6532 -13.0485 -13.0484 -11.2167 -11.2159 -9.9723 -9.9579 -9.4960 -9.4750 -9.3665 -9.3625 -4.2531 -4.2514 -4.0585 -4.0523 -3.5841 -3.5704 -1.0392 -0.9810 -0.8252 -0.8189 -0.6372 -0.5973 0.4110 0.4279 0.9216 0.9242 1.3708 1.3786 1.4056 1.4184 2.3649 2.3661 2.7004 2.7070 3.1044 3.1067 3.3370 3.3372 3.7152 3.7289 3.8633 3.8638 4.0794 4.0871 4.0945 4.0950 7.3749 7.3749 9.4025 9.4071 10.0164 10.0168 10.5832 10.5848 12.2036 12.2148 k = 0.0454 0.0736-0.0000 ( 4943 PWs) bands (ev): -13.6495 -13.6493 -13.0488 -13.0488 -11.2123 -11.2113 -10.0282 -10.0141 -9.4557 -9.4332 -9.3640 -9.3590 -4.2462 -4.2440 -4.1046 -4.0993 -3.5143 -3.4997 -1.0657 -0.9987 -0.8354 -0.8270 -0.6307 -0.5854 0.4443 0.4647 0.9276 0.9308 1.3494 1.3582 1.3850 1.3998 2.3645 2.3660 2.6933 2.7014 3.1098 3.1129 3.3310 3.3310 3.6756 3.6911 3.8609 3.8613 4.0922 4.0934 4.0935 4.1007 7.4104 7.4105 9.4209 9.4267 10.0261 10.0265 10.5929 10.5950 12.1562 12.1669 k = 0.0545 0.0883-0.0000 ( 4947 PWs) bands (ev): -13.6447 -13.6445 -13.0492 -13.0491 -11.2068 -11.2057 -10.0862 -10.0725 -9.4166 -9.3926 -9.3606 -9.3549 -4.2376 -4.2351 -4.1476 -4.1432 -3.4424 -3.4270 -1.0952 -1.0219 -0.8476 -0.8370 -0.6196 -0.5710 0.4832 0.5070 0.9349 0.9388 1.3235 1.3324 1.3613 1.3772 2.3638 2.3656 2.6861 2.6955 3.1119 3.1162 3.3254 3.3259 3.6340 3.6509 3.8581 3.8584 4.0920 4.0923 4.1043 4.1126 7.4528 7.4529 9.4429 9.4498 10.0378 10.0382 10.6046 10.6071 12.1070 12.1167 k = 0.0636 0.1030-0.0000 ( 4959 PWs) bands (ev): -13.6392 -13.6389 -13.0497 -13.0496 -11.2004 -11.1990 -10.1457 -10.1324 -9.3801 -9.3557 -9.3550 -9.3492 -4.2276 -4.2248 -4.1873 -4.1839 -3.3688 -3.3525 -1.1271 -1.0496 -0.8619 -0.8489 -0.6038 -0.5537 0.5270 0.5538 0.9434 0.9480 1.2932 1.3014 1.3347 1.3505 2.3625 2.3646 2.6789 2.6895 3.1084 3.1139 3.3221 3.3232 3.5918 3.6100 3.8550 3.8551 4.0904 4.0909 4.1151 4.1232 7.5015 7.5017 9.4682 9.4761 10.0513 10.0517 10.6179 10.6208 12.0564 12.0640 k = 0.0727 0.1177-0.0000 ( 4963 PWs) bands (ev): -13.6328 -13.6325 -13.0502 -13.0501 -11.1929 -11.1913 -10.2062 -10.1934 -9.3568 -9.3454 -9.3391 -9.3170 -4.2252 -4.2217 -4.2157 -4.2116 -3.2935 -3.2765 -1.1609 -1.0810 -0.8780 -0.8627 -0.5835 -0.5332 0.5748 0.6044 0.9532 0.9586 1.2586 1.2652 1.3052 1.3200 2.3607 2.3629 2.6721 2.6837 3.0971 3.1038 3.3224 3.3243 3.5505 3.5696 3.8515 3.8515 4.0887 4.0893 4.1245 4.1324 7.5559 7.5562 9.4965 9.5053 10.0667 10.0669 10.6325 10.6359 12.0046 12.0075 k = 0.0818 0.1325-0.0000 ( 4951 PWs) bands (ev): -13.6256 -13.6253 -13.0508 -13.0507 -11.1844 -11.1825 -10.2674 -10.2552 -9.3500 -9.3395 -9.3079 -9.2831 -4.2580 -4.2557 -4.2028 -4.1988 -3.2168 -3.1989 -1.1960 -1.1148 -0.8960 -0.8784 -0.5591 -0.5096 0.6259 0.6579 0.9641 0.9702 1.2198 1.2243 1.2729 1.2859 2.3580 2.3604 2.6658 2.6783 3.0771 3.0847 3.3270 3.3295 3.5110 3.5308 3.8477 3.8478 4.0869 4.0876 4.1329 4.1404 7.6154 7.6159 9.5274 9.5370 10.0837 10.0838 10.6480 10.6519 11.9453 11.9518 k = 0.0909 0.1472-0.0000 ( 4947 PWs) bands (ev): -13.6177 -13.6174 -13.0515 -13.0513 -11.1748 -11.1727 -10.3291 -10.3175 -9.3442 -9.3331 -9.2776 -9.2517 -4.2883 -4.2867 -4.1883 -4.1840 -3.1388 -3.1201 -1.2318 -1.1502 -0.9159 -0.8958 -0.5309 -0.4827 0.6794 0.7137 0.9760 0.9830 1.1769 1.1790 1.2377 1.2484 2.3543 2.3568 2.6603 2.6733 3.0487 3.0567 3.3355 3.3383 3.4740 3.4941 3.8437 3.8439 4.0851 4.0857 4.1402 4.1474 7.6794 7.6801 9.5604 9.5708 10.1021 10.1022 10.6642 10.6685 11.8812 11.8983 k = 0.0999 0.1619-0.0000 ( 4943 PWs) bands (ev): -13.6091 -13.6087 -13.0522 -13.0521 -11.1641 -11.1619 -10.3911 -10.3801 -9.3382 -9.3262 -9.2498 -9.2231 -4.3155 -4.3146 -4.1723 -4.1676 -3.0596 -3.0403 -1.2678 -1.1863 -0.9374 -0.9150 -0.4991 -0.4525 0.7350 0.7713 0.9888 0.9968 1.1296 1.1300 1.1998 1.2078 2.3496 2.3519 2.6554 2.6688 3.0132 3.0212 3.3466 3.3497 3.4397 3.4599 3.8396 3.8399 4.0832 4.0839 4.1469 4.1536 7.7473 7.7482 9.5952 9.6063 10.1217 10.1221 10.6803 10.6851 11.8201 11.8443 k = 0.1090 0.1766-0.0000 ( 4948 PWs) bands (ev): -13.5998 -13.5994 -13.0530 -13.0529 -11.1524 -11.1499 -10.4532 -10.4428 -9.3319 -9.3189 -9.2247 -9.1974 -4.3397 -4.3393 -4.1549 -4.1499 -2.9795 -2.9595 -1.3034 -1.2225 -0.9606 -0.9358 -0.4640 -0.4193 0.7919 0.8300 1.0019 1.0114 1.0767 1.0791 1.1595 1.1645 2.3436 2.3457 2.6512 2.6647 2.9722 2.9799 3.3591 3.3625 3.4083 3.4282 3.8355 3.8359 4.0813 4.0820 4.1529 4.1592 7.8185 7.8197 9.6315 9.6432 10.1423 10.1431 10.6957 10.7011 11.7639 11.7903 k = 0.1181 0.1913-0.0000 ( 4948 PWs) bands (ev): -13.5898 -13.5894 -13.0539 -13.0537 -11.1396 -11.1369 -10.5153 -10.5054 -9.3251 -9.3112 -9.2024 -9.1745 -4.3611 -4.3610 -4.1361 -4.1308 -2.8987 -2.8779 -1.3383 -1.2581 -0.9854 -0.9582 -0.4257 -0.3829 0.8494 0.8886 1.0076 1.0239 1.0268 1.0286 1.1172 1.1195 2.3362 2.3380 2.6477 2.6610 2.9272 2.9343 3.3708 3.3756 3.3807 3.3989 3.8315 3.8319 4.0795 4.0802 4.1586 4.1645 7.8925 7.8940 9.6688 9.6810 10.1638 10.1651 10.7097 10.7156 11.7129 11.7367 k = 0.1272 0.2061-0.0000 ( 4954 PWs) bands (ev): -13.5792 -13.5788 -13.0548 -13.0546 -11.1256 -11.1227 -10.5773 -10.5679 -9.3179 -9.3031 -9.1829 -9.1546 -4.3800 -4.3795 -4.1160 -4.1104 -2.8172 -2.7958 -1.3719 -1.2927 -1.0116 -0.9820 -0.3845 -0.3437 0.9064 0.9335 0.9653 0.9700 1.0325 1.0397 1.0752 1.0762 2.3275 2.3289 2.6447 2.6575 2.8796 2.8860 3.3516 3.3709 3.3862 3.3895 3.8276 3.8280 4.0778 4.0786 4.1639 4.1693 7.9688 7.9707 9.7070 9.7195 10.1861 10.1878 10.7213 10.7278 11.6668 11.6840 k = 0.1363 0.2208-0.0000 ( 4962 PWs) bands (ev): -13.5681 -13.5676 -13.0558 -13.0556 -11.1106 -11.1074 -10.6389 -10.6301 -9.3104 -9.2947 -9.1663 -9.1376 -4.3963 -4.3953 -4.0946 -4.0887 -2.7353 -2.7133 -1.4040 -1.3258 -1.0392 -1.0073 -0.3405 -0.3016 0.8847 0.9021 0.9568 1.0035 1.0243 1.0282 1.0593 1.0675 2.3173 2.3182 2.6422 2.6541 2.8307 2.8362 3.3269 3.3456 3.3984 3.4018 3.8240 3.8244 4.0764 4.0772 4.1689 4.1739 8.0468 8.0491 9.7456 9.7584 10.2089 10.2112 10.7294 10.7365 11.6238 11.6329 k = 0.1454 0.2355-0.0000 ( 4962 PWs) bands (ev): -13.5564 -13.5559 -13.0568 -13.0566 -11.0944 -11.0910 -10.7002 -10.6918 -9.3026 -9.2859 -9.1524 -9.1235 -4.4100 -4.4087 -4.0721 -4.0659 -2.6531 -2.6306 -1.4341 -1.3571 -1.0680 -1.0338 -0.2939 -0.2568 0.8168 0.8352 0.9509 0.9693 1.0375 1.0631 1.0853 1.0861 2.3057 2.3061 2.6397 2.6504 2.7817 2.7860 3.3038 3.3219 3.4098 3.4133 3.8207 3.8212 4.0753 4.0760 4.1735 4.1782 8.1261 8.1290 9.7846 9.7974 10.2321 10.2351 10.7327 10.7406 11.5818 11.5844 k = 0.1545 0.2502-0.0000 ( 4964 PWs) bands (ev): -13.5442 -13.5437 -13.0579 -13.0577 -11.0771 -11.0734 -10.7609 -10.7530 -9.2946 -9.2770 -9.1413 -9.1122 -4.4214 -4.4198 -4.0483 -4.0419 -2.5708 -2.5478 -1.4620 -1.3862 -1.0980 -1.0615 -0.2448 -0.2095 0.7442 0.7643 0.9033 0.9205 1.0806 1.0834 1.1142 1.1420 2.2926 2.2929 2.6370 2.6455 2.7340 2.7364 3.2822 3.2997 3.4200 3.4237 3.8179 3.8184 4.0745 4.0752 4.1777 4.1820 8.2064 8.2098 9.8236 9.8364 10.2557 10.2593 10.7301 10.7387 11.5394 11.5409 k = 0.1635 0.2649-0.0000 ( 4964 PWs) bands (ev): -13.5316 -13.5310 -13.0590 -13.0588 -11.0586 -11.0547 -10.8210 -10.8135 -9.2863 -9.2679 -9.1328 -9.1036 -4.4307 -4.4290 -4.0235 -4.0169 -2.4886 -2.4651 -1.4873 -1.4127 -1.1289 -1.0902 -0.1936 -0.1600 0.6679 0.6895 0.8506 0.8697 1.1009 1.1079 1.1632 1.2020 2.2780 2.2788 2.6325 2.6361 2.6892 2.6915 3.2622 3.2791 3.4289 3.4328 3.8157 3.8161 4.0742 4.0748 4.1813 4.1853 8.2872 8.2911 9.8627 9.8752 10.2796 10.2840 10.7202 10.7295 11.4989 11.5032 k = 0.1726 0.2797-0.0000 ( 4958 PWs) bands (ev): -13.5186 -13.5180 -13.0601 -13.0600 -11.0390 -11.0348 -10.8803 -10.8733 -9.2780 -9.2586 -9.1269 -9.0977 -4.4382 -4.4363 -3.9977 -3.9909 -2.4066 -2.3827 -1.5098 -1.4365 -1.1607 -1.1198 -0.1403 -0.1083 0.5881 0.6110 0.7964 0.8179 1.1182 1.1282 1.2199 1.2622 2.2622 2.2637 2.6120 2.6182 2.6528 2.6645 3.2437 3.2599 3.4364 3.4406 3.8141 3.8144 4.0744 4.0750 4.1841 4.1880 8.3681 8.3727 9.9015 9.9138 10.3039 10.3090 10.7021 10.7121 11.4637 11.4704 k = 0.1817 0.2944-0.0000 ( 4964 PWs) bands (ev): -13.5053 -13.5046 -13.0614 -13.0612 -11.0182 -11.0137 -10.9388 -10.9323 -9.2696 -9.2494 -9.1234 -9.0943 -4.4441 -4.4420 -3.9710 -3.9640 -2.3251 -2.3008 -1.5292 -1.4573 -1.1931 -1.1501 -0.0852 -0.0547 0.5051 0.5289 0.7416 0.7654 1.1353 1.1470 1.2779 1.3221 2.2456 2.2477 2.5729 2.5814 2.6400 2.6535 3.2267 3.2421 3.4423 3.4468 3.8133 3.8135 4.0753 4.0758 4.1860 4.1897 8.4489 8.4542 9.9402 9.9521 10.3287 10.3345 10.6752 10.6859 11.4344 11.4433 k = 0.1908 0.3091-0.0000 ( 4950 PWs) bands (ev): -13.4917 -13.4910 -13.0626 -13.0624 -10.9994 -10.9933 -10.9924 -10.9893 -9.2613 -9.2402 -9.1222 -9.0932 -4.4486 -4.4465 -3.9434 -3.9363 -2.2441 -2.2194 -1.5454 -1.4749 -1.2260 -1.1808 -0.0285 0.0004 0.4190 0.4435 0.6866 0.7126 1.1522 1.1652 1.3359 1.3815 2.2281 2.2308 2.5301 2.5382 2.6349 2.6474 3.2113 3.2259 3.4468 3.4516 3.8133 3.8133 4.0769 4.0773 4.1868 4.1903 8.5291 8.5352 9.9788 9.9900 10.3541 10.3605 10.6397 10.6508 11.4107 11.4220 k = 0.1999 0.3238-0.0000 ( 4940 PWs) bands (ev): -13.4778 -13.4771 -13.0638 -13.0637 -11.0534 -11.0475 -10.9727 -10.9678 -9.2530 -9.2312 -9.1231 -9.0944 -4.4520 -4.4499 -3.9150 -3.9079 -2.1640 -2.1388 -1.5581 -1.4890 -1.2591 -1.2119 0.0293 0.0566 0.3304 0.3550 0.6317 0.6598 1.1689 1.1829 1.3935 1.4401 2.2098 2.2133 2.4877 2.4955 2.6306 2.6422 3.1974 3.2113 3.4498 3.4550 3.8140 3.8142 4.0794 4.0797 4.1862 4.1896 8.6086 8.6154 10.0171 10.0278 10.3803 10.3872 10.5962 10.6075 11.3923 11.4060 k = 0.2090 0.3385-0.0000 ( 4944 PWs) bands (ev): -13.4638 -13.4631 -13.0651 -13.0650 -11.1090 -11.1035 -10.9483 -10.9430 -9.2450 -9.2224 -9.1260 -9.0976 -4.4546 -4.4525 -3.8860 -3.8788 -2.0847 -2.0592 -1.5672 -1.4996 -1.2922 -1.2431 0.0878 0.1129 0.2402 0.2640 0.5770 0.6071 1.1852 1.2001 1.4505 1.4979 2.1907 2.1949 2.4469 2.4547 2.6259 2.6368 3.1851 3.1982 3.4514 3.4569 3.8156 3.8160 4.0828 4.0830 4.1841 4.1874 8.6870 8.6947 10.0555 10.0655 10.4073 10.4143 10.5459 10.5570 11.3783 11.3946 k = 0.2181 0.3532-0.0000 ( 4942 PWs) bands (ev): -13.4497 -13.4490 -13.0664 -13.0663 -11.1635 -11.1583 -10.9226 -10.9170 -9.2373 -9.2138 -9.1308 -9.1027 -4.4566 -4.4545 -3.8565 -3.8492 -2.0067 -1.9806 -1.5724 -1.5065 -1.3251 -1.2741 0.1354 0.1430 0.1744 0.1821 0.5229 0.5547 1.2012 1.2169 1.5066 1.5548 2.1707 2.1756 2.4084 2.4165 2.6205 2.6308 3.1745 3.1867 3.4515 3.4575 3.8181 3.8189 4.0872 4.0873 4.1802 4.1836 8.7642 8.7728 10.0939 10.1032 10.4348 10.4399 10.4921 10.5009 11.3676 11.3867 k = 0.2272 0.3680-0.0000 ( 4940 PWs) bands (ev): -13.4355 -13.4348 -13.0677 -13.0676 -11.2168 -11.2120 -10.8957 -10.8898 -9.2299 -9.2058 -9.1372 -9.1096 -4.4582 -4.4562 -3.8264 -3.8192 -1.9301 -1.9034 -1.5735 -1.5095 -1.3574 -1.3047 0.0460 0.0723 0.2083 0.2339 0.4696 0.5028 1.2169 1.2332 1.5619 1.6107 2.1494 2.1551 2.3730 2.3814 2.6141 2.6240 3.1656 3.1769 3.4502 3.4566 3.8217 3.8228 4.0927 4.0928 4.1746 4.1779 8.8399 8.8494 10.1326 10.1412 10.4208 10.4353 10.4681 10.4794 11.3593 11.3814 k = 0.2362 0.3827-0.0000 ( 4930 PWs) bands (ev): -13.4213 -13.4206 -13.0689 -13.0688 -11.2689 -11.2644 -10.8676 -10.8613 -9.2230 -9.1982 -9.1451 -9.1180 -4.4597 -4.4576 -3.7960 -3.7888 -1.8553 -1.8277 -1.5705 -1.5085 -1.3889 -1.3346 -0.0508 -0.0251 0.2662 0.2911 0.4174 0.4516 1.2325 1.2493 1.6162 1.6655 2.1266 2.1330 2.3411 2.3500 2.6066 2.6161 3.1584 3.1687 3.4476 3.4544 3.8264 3.8278 4.0993 4.0995 4.1669 4.1703 8.9139 8.9243 10.1718 10.1796 10.3582 10.3719 10.4966 10.5077 11.3522 11.3781 k = 0.2453 0.3974-0.0000 ( 4948 PWs) bands (ev): -13.4072 -13.4064 -13.0702 -13.0701 -11.3197 -11.3154 -10.8382 -10.8316 -9.2167 -9.1912 -9.1543 -9.1278 -4.4611 -4.4591 -3.7654 -3.7582 -1.7827 -1.7537 -1.5628 -1.5034 -1.4191 -1.3635 -0.1497 -0.1244 0.3194 0.3473 0.3700 0.4016 1.2480 1.2652 1.6694 1.7191 2.1018 2.1089 2.3135 2.3229 2.5980 2.6072 3.1528 3.1622 3.4436 3.4509 3.8321 3.8339 4.1072 4.1075 4.1572 4.1606 8.9861 8.9975 10.2115 10.2185 10.2908 10.3039 10.5280 10.5391 11.3445 11.3755 k = 0.2544 0.4121-0.0000 ( 4948 PWs) bands (ev): -13.3932 -13.3924 -13.0714 -13.0713 -11.3691 -11.3651 -10.8076 -10.8007 -9.2111 -9.1850 -9.1647 -9.1387 -4.4626 -4.4607 -3.7346 -3.7275 -1.7134 -1.6819 -1.5498 -1.4939 -1.4476 -1.3911 -0.2497 -0.2251 0.3071 0.3491 0.3873 0.4050 1.2638 1.2813 1.7214 1.7715 2.0750 2.0825 2.2905 2.3002 2.5882 2.5971 3.1488 3.1574 3.4384 3.4461 3.8389 3.8411 4.1165 4.1167 4.1453 4.1488 9.0563 9.0688 10.2209 10.2337 10.2519 10.2585 10.5607 10.5719 11.3300 11.3704 k = 0.2635 0.4268-0.0000 ( 4960 PWs) bands (ev): -13.3794 -13.3786 -13.0725 -13.0725 -11.4171 -11.4134 -10.7759 -10.7685 -9.2063 -9.1797 -9.1760 -9.1507 -4.4645 -4.4625 -3.7037 -3.6968 -1.6494 -1.6129 -1.5300 -1.4794 -1.4737 -1.4171 -0.3507 -0.3267 0.2585 0.3004 0.4392 0.4573 1.2804 1.2980 1.7722 1.8225 2.0462 2.0539 2.2722 2.2821 2.5773 2.5859 3.1465 3.1542 3.4319 3.4401 3.8468 3.8494 4.1267 4.1270 4.1319 4.1348 9.1246 9.1380 10.1500 10.1624 10.2931 10.2989 10.5944 10.6058 11.2863 11.3262 k = 0.2726 0.4416-0.0000 ( 4964 PWs) bands (ev): -13.3658 -13.3650 -13.0736 -13.0736 -11.4637 -11.4602 -10.7429 -10.7352 -9.2024 -9.1881 -9.1753 -9.1636 -4.4667 -4.4648 -3.6729 -3.6662 -1.5957 -1.5485 -1.5035 -1.4923 -1.4586 -1.4411 -0.4523 -0.4289 0.2089 0.2517 0.4895 0.5068 1.2983 1.3159 1.8216 1.8722 2.0158 2.0234 2.2585 2.2683 2.5653 2.5736 3.1456 3.1525 3.4243 3.4329 3.8559 3.8588 4.1149 4.1187 4.1389 4.1394 9.1907 9.2051 10.0784 10.0904 10.3349 10.3402 10.6291 10.6406 11.2097 11.2397 k = 0.2817 0.4563-0.0000 ( 4964 PWs) bands (ev): -13.3525 -13.3517 -13.0747 -13.0747 -11.5087 -11.5055 -10.7087 -10.7006 -9.2017 -9.1988 -9.1772 -9.1719 -4.4693 -4.4674 -3.6423 -3.6358 -1.5617 -1.5100 -1.4932 -1.4630 -1.4541 -1.4269 -0.5541 -0.5313 0.1596 0.2036 0.5358 0.5521 1.3181 1.3355 1.8692 1.9203 1.9845 1.9916 2.2489 2.2586 2.5523 2.5603 3.1461 3.1522 3.4156 3.4246 3.8661 3.8694 4.0967 4.1005 4.1521 4.1524 9.2547 9.2701 10.0067 10.0182 10.3773 10.3821 10.6647 10.6761 11.1255 11.1514 k = 0.2908 0.4710-0.0000 ( 4960 PWs) bands (ev): -13.3396 -13.3387 -13.0756 -13.0756 -11.5522 -11.5492 -10.6735 -10.6650 -9.2145 -9.1976 -9.1914 -9.1698 -4.4724 -4.4705 -3.6118 -3.6056 -1.5595 -1.4964 -1.4832 -1.4504 -1.4000 -1.3804 -0.6558 -0.6338 0.1108 0.1560 0.5769 0.5919 1.3406 1.3575 1.9129 1.9550 1.9552 1.9704 2.2430 2.2525 2.5385 2.5461 3.1480 3.1534 3.4058 3.4153 3.8775 3.8810 4.0763 4.0803 4.1666 4.1667 9.3165 9.3329 9.9354 9.9464 10.4201 10.4244 10.7011 10.7123 11.0420 11.0657 k = 0.2998 0.4857-0.0000 ( 4954 PWs) bands (ev): -13.3270 -13.3262 -13.0765 -13.0764 -11.5941 -11.5913 -10.6371 -10.6282 -9.2283 -9.2059 -9.1971 -9.1689 -4.4760 -4.4741 -3.5817 -3.5757 -1.5722 -1.5000 -1.4679 -1.4164 -1.3419 -1.3247 -0.7570 -0.7358 0.0625 0.1088 0.6118 0.6254 1.3663 1.3827 1.9135 1.9243 1.9666 2.0131 2.2404 2.2497 2.5240 2.5312 3.1511 3.1558 3.3949 3.4048 3.8900 3.8938 4.0540 4.0581 4.1821 4.1821 9.3762 9.3934 9.8648 9.8753 10.4628 10.4669 10.7383 10.7487 10.9610 10.9836 k = 0.3089 0.5004-0.0000 ( 4946 PWs) bands (ev): -13.3149 -13.3140 -13.0772 -13.0771 -11.6344 -11.6317 -10.5996 -10.5903 -9.2422 -9.2208 -9.1980 -9.1695 -4.4801 -4.4782 -3.5518 -3.5461 -1.5855 -1.5142 -1.4353 -1.3834 -1.2834 -1.2669 -0.8574 -0.8371 0.0146 0.0621 0.6396 0.6518 1.3959 1.4115 1.8825 1.8910 2.0081 2.0563 2.2407 2.2497 2.5090 2.5156 3.1552 3.1593 3.3831 3.3935 3.9037 3.9077 4.0299 4.0341 4.1983 4.1986 9.4337 9.4517 9.7953 9.8054 10.5050 10.5090 10.7762 10.7844 10.8836 10.9067 k = 0.3180 0.5152-0.0000 ( 4942 PWs) bands (ev): -13.3033 -13.3024 -13.0778 -13.0777 -11.6730 -11.6705 -10.5611 -10.5514 -9.2563 -9.2357 -9.2003 -9.1716 -4.4846 -4.4828 -3.5222 -3.5168 -1.5969 -1.5258 -1.4000 -1.3488 -1.2261 -1.2098 -0.9563 -0.9370 -0.0331 0.0157 0.6598 0.6706 1.4294 1.4441 1.8503 1.8579 2.0495 2.0979 2.2437 2.2523 2.4936 2.4997 3.1604 3.1639 3.3705 3.3811 3.9186 3.9226 4.0041 4.0084 4.2153 4.2159 9.4890 9.5078 9.7273 9.7368 10.5461 10.5504 10.8039 10.8094 10.8159 10.8507 k = 0.3271 0.5299-0.0000 ( 4930 PWs) bands (ev): -13.2922 -13.2913 -13.0782 -13.0781 -11.7099 -11.7076 -10.5217 -10.5115 -9.2705 -9.2507 -9.2042 -9.1753 -4.4896 -4.4878 -3.4930 -3.4878 -1.6060 -1.5351 -1.3623 -1.3121 -1.1710 -1.1544 -1.0526 -1.0348 -0.0804 -0.0306 0.6722 0.6817 1.4667 1.4805 1.8184 1.8254 2.0894 2.1375 2.2489 2.2573 2.4780 2.4834 3.1664 3.1694 3.3570 3.3680 3.9347 3.9387 3.9768 3.9812 4.2328 4.2338 9.5420 9.5616 9.6610 9.6698 10.5851 10.5902 10.7416 10.7513 10.8549 10.8719 k = 0.3362 0.5446-0.0000 ( 4938 PWs) bands (ev): -13.2817 -13.2809 -13.0784 -13.0783 -11.7451 -11.7430 -10.4814 -10.4707 -9.2844 -9.2656 -9.2097 -9.1808 -4.4949 -4.4931 -3.4639 -3.4590 -1.6133 -1.5430 -1.3228 -1.2731 -1.1517 -1.1296 -1.1116 -1.1009 -0.1276 -0.0767 0.6769 0.6853 1.5074 1.5202 1.7874 1.7937 2.1274 2.1752 2.2563 2.2642 2.4625 2.4671 3.1732 3.1758 3.3426 3.3539 3.9477 3.9516 3.9523 3.9569 4.2507 4.2520 9.5884 9.6010 9.6048 9.6130 10.6176 10.6266 10.6820 10.6888 10.8955 10.9099 k = 0.3453 0.5593-0.0000 ( 4934 PWs) bands (ev): -13.2718 -13.2710 -13.0785 -13.0784 -11.7785 -11.7766 -10.4402 -10.4291 -9.2982 -9.2803 -9.2169 -9.1880 -4.5005 -4.4988 -3.4350 -3.4304 -1.6200 -1.5512 -1.2873 -1.2320 -1.2310 -1.2184 -1.0635 -1.0501 -0.1748 -0.1228 0.6744 0.6819 1.5507 1.5625 1.7577 1.7631 2.1634 2.2107 2.2655 2.2730 2.4473 2.4510 3.1806 3.1830 3.3276 3.3392 3.9183 3.9227 3.9703 3.9743 4.2685 4.2703 9.5336 9.5420 9.6422 9.6621 10.6030 10.6191 10.6710 10.6715 10.9371 10.9501 k = 0.3453 0.5593-0.0000 ( 4934 PWs) bands (ev): -13.2718 -13.2710 -13.0785 -13.0784 -11.7785 -11.7766 -10.4402 -10.4291 -9.2982 -9.2803 -9.2169 -9.1880 -4.5005 -4.4988 -3.4350 -3.4304 -1.6200 -1.5512 -1.2873 -1.2320 -1.2310 -1.2184 -1.0635 -1.0501 -0.1748 -0.1228 0.6744 0.6819 1.5507 1.5625 1.7577 1.7631 2.1634 2.2107 2.2655 2.2730 2.4473 2.4510 3.1806 3.1830 3.3276 3.3392 3.9183 3.9227 3.9703 3.9743 4.2685 4.2703 9.5336 9.5420 9.6422 9.6621 10.6030 10.6191 10.6710 10.6715 10.9371 10.9501 k = 0.3280 0.5593-0.0000 ( 4932 PWs) bands (ev): -13.2772 -13.2763 -13.0788 -13.0787 -11.7601 -11.7581 -10.4623 -10.4514 -9.2910 -9.2727 -9.2127 -9.1838 -4.4972 -4.4955 -3.4516 -3.4469 -1.6176 -1.5482 -1.3080 -1.2624 -1.1948 -1.1859 -1.0736 -1.0586 -0.1486 -0.0972 0.6759 0.6839 1.5256 1.5383 1.7731 1.7796 2.1422 2.1882 2.2638 2.2733 2.4558 2.4600 3.1766 3.1792 3.3359 3.3472 3.9336 3.9378 3.9610 3.9649 4.2589 4.2605 9.5581 9.5660 9.6245 9.6424 10.6141 10.6452 10.6531 10.6814 10.9161 10.9295 k = 0.3107 0.5593-0.0000 ( 4932 PWs) bands (ev): -13.2831 -13.2823 -13.0797 -13.0796 -11.7390 -11.7369 -10.4851 -10.4745 -9.2837 -9.2651 -9.2086 -9.1798 -4.4933 -4.4916 -3.4709 -3.4661 -1.6180 -1.5494 -1.3329 -1.2923 -1.1935 -1.1890 -1.0406 -1.0226 -0.1197 -0.0688 0.6745 0.6830 1.4970 1.5108 1.7886 1.7961 2.1177 2.1615 2.2680 2.2800 2.4655 2.4700 3.1726 3.1755 3.3441 3.3550 3.9456 3.9461 3.9573 3.9587 4.2490 4.2504 9.5560 9.5633 9.6334 9.6435 10.6045 10.6316 10.6820 10.7117 10.8972 10.9106 k = 0.2935 0.5593-0.0000 ( 4935 PWs) bands (ev): -13.2894 -13.2886 -13.0812 -13.0811 -11.7155 -11.7133 -10.5086 -10.4982 -9.2764 -9.2575 -9.2046 -9.1760 -4.4888 -4.4870 -3.4929 -3.4881 -1.6214 -1.5552 -1.3584 -1.3233 -1.2133 -1.2012 -0.9836 -0.9646 -0.0884 -0.0381 0.6706 0.6798 1.4656 1.4802 1.8026 1.8102 2.0938 2.1350 2.2760 2.2899 2.4760 2.4808 3.1686 3.1718 3.3519 3.3623 3.9402 3.9441 3.9641 3.9681 4.2395 4.2406 9.5339 9.5436 9.6563 9.6623 10.5919 10.6164 10.7159 10.7462 10.8810 10.8944 k = 0.2762 0.5593-0.0000 ( 4940 PWs) bands (ev): -13.2960 -13.2952 -13.0832 -13.0831 -11.6897 -11.6874 -10.5328 -10.5227 -9.2691 -9.2500 -9.2007 -9.1725 -4.4835 -4.4818 -3.5172 -3.5124 -1.6279 -1.5655 -1.3864 -1.3568 -1.2284 -1.2100 -0.9206 -0.9015 -0.0550 -0.0053 0.6649 0.6748 1.4315 1.4467 1.8129 1.8190 2.0741 2.1118 2.2869 2.3020 2.4871 2.4921 3.1642 3.1678 3.3591 3.3689 3.9333 3.9378 3.9737 3.9779 4.2312 4.2321 9.5084 9.5191 9.6797 9.6844 10.5812 10.6043 10.7464 10.7778 10.8702 10.8834 k = 0.2590 0.5593-0.0000 ( 4942 PWs) bands (ev): -13.3027 -13.3020 -13.0857 -13.0855 -11.6619 -11.6595 -10.5578 -10.5480 -9.2619 -9.2426 -9.1969 -9.1691 -4.4774 -4.4757 -3.5435 -3.5389 -1.6373 -1.5794 -1.4178 -1.3926 -1.2334 -1.2114 -0.8569 -0.8383 -0.0197 0.0294 0.6578 0.6685 1.3952 1.4107 1.8158 1.8194 2.0626 2.0951 2.2998 2.3157 2.4986 2.5037 3.1593 3.1632 3.3655 3.3745 3.9275 3.9322 3.9806 3.9846 4.2248 4.2255 9.4834 9.4941 9.7008 9.7049 10.5736 10.5958 10.7677 10.7965 10.8730 10.8835 k = 0.2417 0.5593-0.0000 ( 4941 PWs) bands (ev): -13.3095 -13.3087 -13.0885 -13.0884 -11.6324 -11.6298 -10.5835 -10.5740 -9.2547 -9.2355 -9.1931 -9.1659 -4.4705 -4.4689 -3.5717 -3.5672 -1.6489 -1.5959 -1.4518 -1.4297 -1.2288 -1.2055 -0.7946 -0.7766 0.0171 0.0657 0.6501 0.6616 1.3569 1.3727 1.8060 1.8115 2.0618 2.0879 2.3142 2.3306 2.5101 2.5153 3.1534 3.1578 3.3711 3.3792 3.9232 3.9279 3.9836 3.9873 4.2213 4.2217 9.4598 9.4702 9.7191 9.7228 10.5692 10.5908 10.7745 10.7960 10.8928 10.9015 k = 0.2244 0.5593-0.0000 ( 4944 PWs) bands (ev): -13.3162 -13.3154 -13.0916 -13.0915 -11.6013 -11.5986 -10.6099 -10.6007 -9.2478 -9.2287 -9.1895 -9.1629 -4.4626 -4.4611 -3.6013 -3.5971 -1.6620 -1.6137 -1.4868 -1.4667 -1.2169 -1.1937 -0.7345 -0.7173 0.0554 0.1033 0.6422 0.6547 1.3169 1.3329 1.7836 1.7943 2.0716 2.0910 2.3296 2.3464 2.5216 2.5269 3.1464 3.1513 3.3759 3.3832 3.9202 3.9248 3.9823 3.9855 4.2209 4.2213 9.4380 9.4479 9.7343 9.7377 10.5681 10.5890 10.7700 10.7859 10.9209 10.9329 k = 0.2072 0.5593-0.0000 ( 4944 PWs) bands (ev): -13.3227 -13.3220 -13.0949 -13.0948 -11.5690 -11.5662 -10.6370 -10.6281 -9.2410 -9.2222 -9.1859 -9.1602 -4.4539 -4.4524 -3.6321 -3.6281 -1.6759 -1.6318 -1.5214 -1.5027 -1.1999 -1.1776 -0.6774 -0.6611 0.0948 0.1419 0.6349 0.6484 1.2755 1.2917 1.7524 1.7678 2.0894 2.1034 2.3455 2.3624 2.5328 2.5382 3.1380 3.1433 3.3803 3.3867 3.9182 3.9224 3.9772 3.9798 4.2236 4.2242 9.4180 9.4273 9.7468 9.7499 10.5698 10.5899 10.7608 10.7736 10.9528 10.9675 k = 0.1899 0.5593-0.0000 ( 4942 PWs) bands (ev): -13.3290 -13.3283 -13.0983 -13.0982 -11.5357 -11.5327 -10.6648 -10.6561 -9.2344 -9.2161 -9.1824 -9.1577 -4.4442 -4.4428 -3.6636 -3.6599 -1.6900 -1.6497 -1.5547 -1.5370 -1.1796 -1.1584 -0.6237 -0.6086 0.1351 0.1814 0.6287 0.6434 1.2332 1.2496 1.7156 1.7343 2.1126 2.1225 2.3616 2.3784 2.5437 2.5491 3.1280 3.1338 3.3845 3.3900 3.9164 3.9199 3.9697 3.9714 4.2290 4.2298 9.4001 9.4087 9.7569 9.7596 10.5738 10.5930 10.7508 10.7616 10.9854 11.0018 k = 0.1726 0.5593-0.0000 ( 4944 PWs) bands (ev): -13.3350 -13.3343 -13.1017 -13.1015 -11.5017 -11.4986 -10.6930 -10.6847 -9.2282 -9.2106 -9.1789 -9.1554 -4.4337 -4.4323 -3.6955 -3.6921 -1.7038 -1.6667 -1.5863 -1.5691 -1.1572 -1.1373 -0.5740 -0.5602 0.1760 0.2212 0.6242 0.6403 1.1903 1.2069 1.6753 1.6961 2.1391 2.1461 2.3773 2.3940 2.5541 2.5594 3.1165 3.1226 3.3889 3.3936 3.9132 3.9154 3.9621 3.9624 4.2365 4.2374 9.3841 9.3920 9.7648 9.7673 10.5794 10.5975 10.7418 10.7511 11.0169 11.0340 k = 0.1554 0.5593-0.0000 ( 4948 PWs) bands (ev): -13.3406 -13.3400 -13.1050 -13.1049 -11.4672 -11.4640 -10.7217 -10.7138 -9.2223 -9.2056 -9.1754 -9.1534 -4.4223 -4.4211 -3.7273 -3.7242 -1.7168 -1.6825 -1.6156 -1.5987 -1.1338 -1.1153 -0.5287 -0.5164 0.2172 0.2613 0.6218 0.6394 1.1472 1.1642 1.6331 1.6552 2.1673 2.1722 2.3923 2.4086 2.5639 2.5690 3.1036 3.1099 3.3935 3.3975 3.9063 3.9068 3.9560 3.9573 4.2451 4.2462 9.3699 9.3771 9.7709 9.7733 10.5860 10.6027 10.7346 10.7427 11.0460 11.0634 k = 0.1381 0.5593-0.0000 ( 4939 PWs) bands (ev): -13.3457 -13.3452 -13.1081 -13.1080 -11.4326 -11.4293 -10.7506 -10.7431 -9.2169 -9.2013 -9.1720 -9.1518 -4.4103 -4.4092 -3.7586 -3.7559 -1.7288 -1.6970 -1.6424 -1.6257 -1.1101 -1.0931 -0.4882 -0.4775 0.2584 0.3011 0.6217 0.6411 1.1044 1.1220 1.5903 1.6129 2.1964 2.1997 2.4064 2.4221 2.5727 2.5776 3.0896 3.0961 3.3986 3.4020 3.8939 3.8946 3.9536 3.9561 4.2543 4.2553 9.3577 9.3641 9.7757 9.7778 10.5928 10.6078 10.7298 10.7367 11.0720 11.0891 k = 0.1208 0.5593-0.0000 ( 4944 PWs) bands (ev): -13.3504 -13.3499 -13.1111 -13.1109 -11.3984 -11.3950 -10.7795 -10.7724 -9.2118 -9.1977 -9.1686 -9.1504 -4.3979 -4.3968 -3.7888 -3.7864 -1.7395 -1.7100 -1.6665 -1.6498 -1.0870 -1.0716 -0.4528 -0.4437 0.2992 0.3404 0.6237 0.6454 1.0625 1.0810 1.5479 1.5704 2.2253 2.2275 2.4192 2.4342 2.5804 2.5851 3.0750 3.0814 3.4041 3.4070 3.8783 3.8796 3.9545 3.9574 4.2634 4.2644 9.3471 9.3528 9.7794 9.7813 10.5993 10.6123 10.7275 10.7331 11.0945 11.1107 k = 0.1036 0.5593-0.0000 ( 4946 PWs) bands (ev): -13.3545 -13.3541 -13.1137 -13.1136 -11.3649 -11.3615 -10.8080 -10.8014 -9.2072 -9.1947 -9.1654 -9.1493 -4.3853 -4.3843 -3.8174 -3.8154 -1.7488 -1.7214 -1.6877 -1.6709 -1.0650 -1.0515 -0.4226 -0.4152 0.3394 0.3788 0.6273 0.6516 1.0224 1.0418 1.5071 1.5288 2.2533 2.2549 2.4306 2.4446 2.5869 2.5913 3.0605 3.0667 3.4099 3.4124 3.8617 3.8633 3.9571 3.9599 4.2719 4.2728 9.3383 9.3431 9.7822 9.7839 10.6050 10.6159 10.7275 10.7318 11.1133 11.1282 k = 0.0863 0.5593-0.0000 ( 4951 PWs) bands (ev): -13.3581 -13.3577 -13.1160 -13.1159 -11.3327 -11.3294 -10.8356 -10.8296 -9.2031 -9.1924 -9.1623 -9.1486 -4.3729 -4.3721 -3.8436 -3.8420 -1.7564 -1.7313 -1.7056 -1.6892 -1.0449 -1.0333 -0.3977 -0.3919 0.3785 0.4160 0.6314 0.6586 0.9852 1.0056 1.4691 1.4893 2.2795 2.2809 2.4405 2.4532 2.5920 2.5961 3.0466 3.0523 3.4159 3.4181 3.8455 3.8471 3.9603 3.9628 4.2796 4.2804 9.3310 9.3350 9.7844 9.7858 10.6097 10.6185 10.7292 10.7323 11.1285 11.1415 k = 0.0691 0.5593-0.0000 ( 4961 PWs) bands (ev): -13.3610 -13.3607 -13.1180 -13.1179 -11.3029 -11.2997 -10.8614 -10.8561 -9.1995 -9.1908 -9.1594 -9.1483 -4.3613 -4.3606 -3.8669 -3.8656 -1.7623 -1.7400 -1.7200 -1.7045 -1.0273 -1.0178 -0.3780 -0.3736 0.4161 0.4513 0.6347 0.6645 0.9527 0.9735 1.4351 1.4531 2.3030 2.3046 2.4488 2.4599 2.5957 2.5992 3.0342 3.0392 3.4217 3.4235 3.8308 3.8322 3.9636 3.9657 4.2863 4.2869 9.3252 9.3284 9.7860 9.7872 10.6135 10.6202 10.7319 10.7340 11.1403 11.1511 k = 0.0518 0.5593-0.0000 ( 4973 PWs) bands (ev): -13.3633 -13.3631 -13.1195 -13.1195 -11.2764 -11.2737 -10.8844 -10.8800 -9.1964 -9.1898 -9.1567 -9.1483 -4.3512 -4.3507 -3.8862 -3.8852 -1.7663 -1.7480 -1.7302 -1.7169 -1.0126 -1.0053 -0.3630 -0.3599 0.4514 0.4836 0.6358 0.6668 0.9269 0.9466 1.4069 1.4217 2.3231 2.3248 2.4555 2.4646 2.5981 2.6010 3.0238 3.0279 3.4269 3.4283 3.8183 3.8195 3.9665 3.9681 4.2916 4.2921 9.3209 9.3233 9.7872 9.7881 10.6164 10.6212 10.7349 10.7362 11.1492 11.1575 k = 0.0345 0.5593-0.0000 ( 4976 PWs) bands (ev): -13.3650 -13.3649 -13.1206 -13.1206 -11.2550 -11.2529 -10.9028 -10.8996 -9.1939 -9.1894 -9.1544 -9.1488 -4.3432 -4.3428 -3.9008 -3.9002 -1.7684 -1.7555 -1.7361 -1.7264 -1.0014 -0.9965 -0.3526 -0.3506 0.4833 0.5103 0.6351 0.6633 0.9099 0.9257 1.3860 1.3966 2.3388 2.3402 2.4607 2.4672 2.5995 2.6016 3.0163 3.0192 3.4312 3.4321 3.8088 3.8097 3.9688 3.9699 4.2955 4.2959 9.3179 9.3195 9.7880 9.7887 10.6186 10.6217 10.7376 10.7383 11.1556 11.1612 k = 0.0173 0.5593-0.0000 ( 4978 PWs) bands (ev): -13.3660 -13.3659 -13.1213 -13.1213 -11.2406 -11.2394 -10.9147 -10.9130 -9.1919 -9.1897 -9.1524 -9.1496 -4.3380 -4.3378 -3.9099 -3.9096 -1.7683 -1.7617 -1.7381 -1.7331 -0.9940 -0.9915 -0.3463 -0.3454 0.5094 0.5261 0.6359 0.6540 0.9022 0.9112 1.3739 1.3795 2.3490 2.3498 2.4645 2.4680 2.6004 2.6015 3.0118 3.0133 3.4340 3.4345 3.8030 3.8034 3.9704 3.9709 4.2980 4.2981 9.3163 9.3171 9.7886 9.7889 10.6201 10.6217 10.7394 10.7397 11.1599 11.1627 k = 0.0000 0.5593-0.0000 ( 4980 PWs) bands (ev): -13.3663 -13.3663 -13.1215 -13.1215 -11.2351 -11.2351 -10.9184 -10.9184 -9.1905 -9.1905 -9.1508 -9.1508 -4.3361 -4.3361 -3.9129 -3.9129 -1.7660 -1.7660 -1.7371 -1.7371 -0.9907 -0.9907 -0.3440 -0.3440 0.5255 0.5255 0.6428 0.6428 0.9031 0.9031 1.3717 1.3717 2.3528 2.3528 2.4670 2.4670 2.6010 2.6010 3.0109 3.0109 3.4352 3.4352 3.8012 3.8012 3.9711 3.9711 4.2988 4.2988 9.3161 9.3161 9.7889 9.7889 10.6211 10.6211 10.7401 10.7401 11.1622 11.1622 k = 0.0000 0.5593-0.0000 ( 4980 PWs) bands (ev): -13.3663 -13.3663 -13.1215 -13.1215 -11.2351 -11.2351 -10.9184 -10.9184 -9.1905 -9.1905 -9.1508 -9.1508 -4.3361 -4.3361 -3.9129 -3.9129 -1.7660 -1.7660 -1.7371 -1.7371 -0.9907 -0.9907 -0.3440 -0.3440 0.5255 0.5255 0.6428 0.6428 0.9031 0.9031 1.3717 1.3717 2.3528 2.3528 2.4670 2.4670 2.6010 2.6010 3.0109 3.0109 3.4352 3.4352 3.8012 3.8012 3.9711 3.9711 4.2988 4.2988 9.3161 9.3161 9.7889 9.7889 10.6211 10.6211 10.7401 10.7401 11.1622 11.1622 k = 0.0000 0.5593 0.0173 ( 4980 PWs) bands (ev): -13.3660 -13.3660 -13.1216 -13.1215 -11.2342 -11.2342 -10.9178 -10.9177 -9.1926 -9.1922 -9.1530 -9.1528 -4.3347 -4.3347 -3.9113 -3.9105 -1.7671 -1.7670 -1.7351 -1.7346 -0.9896 -0.9888 -0.3506 -0.3475 0.5260 0.5293 0.6408 0.6432 0.9038 0.9041 1.3727 1.3743 2.3532 2.3537 2.4584 2.4590 2.6071 2.6087 3.0108 3.0114 3.4344 3.4345 3.8022 3.8027 3.9708 3.9711 4.2984 4.2986 9.3134 9.3150 9.7868 9.7871 10.5680 10.5770 10.7858 10.7933 11.1572 11.1604 k = 0.0000 0.5593 0.0346 ( 4980 PWs) bands (ev): -13.3652 -13.3652 -13.1216 -13.1216 -11.2316 -11.2316 -10.9160 -10.9158 -9.1986 -9.1977 -9.1593 -9.1590 -4.3304 -4.3303 -3.9057 -3.9040 -1.7710 -1.7704 -1.7279 -1.7274 -0.9854 -0.9840 -0.3670 -0.3610 0.5306 0.5369 0.6375 0.6420 0.9062 0.9067 1.3771 1.3803 2.3549 2.3558 2.4370 2.4378 2.6236 2.6263 3.0112 3.0124 3.4321 3.4324 3.8057 3.8067 3.9702 3.9707 4.2974 4.2977 9.3071 9.3103 9.7810 9.7815 10.4866 10.4977 10.8680 10.8764 11.1462 11.1523 k = 0.0000 0.5593 0.0519 ( 4980 PWs) bands (ev): -13.3638 -13.3638 -13.1218 -13.1218 -11.2272 -11.2272 -10.9130 -10.9127 -9.2083 -9.2070 -9.1697 -9.1693 -4.3232 -4.3232 -3.8961 -3.8936 -1.7785 -1.7771 -1.7149 -1.7147 -0.9780 -0.9759 -0.3924 -0.3839 0.5388 0.5475 0.6331 0.6393 0.9102 0.9108 1.3848 1.3894 2.3575 2.3587 2.4085 2.4093 2.6450 2.6483 3.0121 3.0138 3.4285 3.4288 3.8116 3.8131 3.9692 3.9701 4.2958 4.2963 9.2975 9.3022 9.7712 9.7717 10.4033 10.4162 10.9538 10.9626 11.1305 11.1394 k = 0.0000 0.5593 0.0691 ( 4970 PWs) bands (ev): -13.3619 -13.3619 -13.1220 -13.1220 -11.2211 -11.2211 -10.9087 -10.9083 -9.2217 -9.2200 -9.1842 -9.1837 -4.3133 -4.3132 -3.8827 -3.8793 -1.7897 -1.7875 -1.6965 -1.6963 -0.9672 -0.9645 -0.4256 -0.4150 0.5499 0.5598 0.6281 0.6355 0.9158 0.9163 1.3952 1.4011 2.3596 2.3599 2.3774 2.3792 2.6680 2.6719 3.0135 3.0157 3.4234 3.4239 3.8197 3.8217 3.9679 3.9690 4.2936 4.2942 9.2850 9.2913 9.7575 9.7575 10.3228 10.3375 11.0363 11.0472 11.1119 11.1247 k = 0.0000 0.5593 0.0864 ( 4964 PWs) bands (ev): -13.3595 -13.3595 -13.1223 -13.1223 -11.2133 -11.2132 -10.9032 -10.9027 -9.2388 -9.2366 -9.2025 -9.2019 -4.3006 -4.3005 -3.8655 -3.8613 -1.8047 -1.8016 -1.6732 -1.6725 -0.9526 -0.9494 -0.4653 -0.4532 0.5630 0.5723 0.6237 0.6308 0.9229 0.9230 1.4079 1.4149 2.3359 2.3373 2.3688 2.3724 2.6914 2.6957 3.0154 3.0181 3.4169 3.4176 3.8298 3.8323 3.9662 3.9676 4.2907 4.2915 9.2704 9.2779 9.7387 9.7394 10.2471 10.2641 11.0879 11.0896 11.1297 11.1350 k = 0.0000 0.5593 0.1037 ( 4964 PWs) bands (ev): -13.3566 -13.3565 -13.1227 -13.1227 -11.2037 -11.2036 -10.8965 -10.8959 -9.2592 -9.2567 -9.2246 -9.2238 -4.2852 -4.2852 -3.8448 -3.8398 -1.8234 -1.8196 -1.6450 -1.6438 -0.9340 -0.9303 -0.5103 -0.4971 0.5771 0.5825 0.6219 0.6256 0.9309 0.9313 1.4223 1.4302 2.2987 2.3002 2.3734 2.3774 2.7144 2.7190 3.0180 3.0210 3.4091 3.4099 3.8417 3.8445 3.9641 3.9658 4.2872 4.2881 9.2542 9.2630 9.7150 9.7168 10.1777 10.1972 11.0679 11.0750 11.2030 11.2054 k = 0.0000 0.5593 0.1210 ( 4958 PWs) bands (ev): -13.3531 -13.3531 -13.1232 -13.1232 -11.1923 -11.1922 -10.8885 -10.8878 -9.2829 -9.2800 -9.2503 -9.2493 -4.2673 -4.2672 -3.8206 -3.8149 -1.8459 -1.8414 -1.6125 -1.6107 -0.9112 -0.9069 -0.5590 -0.5452 0.5869 0.5915 0.6204 0.6256 0.9397 0.9408 1.4377 1.4463 2.2592 2.2611 2.3789 2.3835 2.7368 2.7416 3.0212 3.0246 3.4001 3.4011 3.8550 3.8581 3.9615 3.9636 4.2830 4.2841 9.2373 9.2473 9.6864 9.6896 10.1157 10.1380 11.0451 11.0540 11.2715 11.2752 k = 0.0000 0.5593 0.1383 ( 4956 PWs) bands (ev): -13.3492 -13.3491 -13.1238 -13.1238 -11.1792 -11.1791 -10.8792 -10.8784 -9.3098 -9.3064 -9.2792 -9.2781 -4.2469 -4.2469 -3.7933 -3.7868 -1.8722 -1.8670 -1.5764 -1.5740 -0.8838 -0.8793 -0.6102 -0.5963 0.5857 0.6045 0.6166 0.6347 0.9490 0.9510 1.4533 1.4626 2.2184 2.2206 2.3843 2.3897 2.7583 2.7633 3.0252 3.0287 3.3899 3.3911 3.8692 3.8727 3.9585 3.9610 4.2782 4.2795 9.2206 9.2316 9.6533 9.6581 10.0618 10.0870 11.0219 11.0317 11.3335 11.3376 k = 0.0000 0.5593 0.1556 ( 4952 PWs) bands (ev): -13.3449 -13.3448 -13.1245 -13.1245 -11.1644 -11.1643 -10.8687 -10.8678 -9.3395 -9.3357 -9.3113 -9.3100 -4.2242 -4.2242 -3.7630 -3.7558 -1.9021 -1.8964 -1.5376 -1.5344 -0.8520 -0.8473 -0.6622 -0.6487 0.5821 0.6074 0.6227 0.6459 0.9587 0.9618 1.4687 1.4784 2.1768 2.1793 2.3891 2.3953 2.7790 2.7840 3.0299 3.0335 3.3788 3.3802 3.8839 3.8876 3.9554 3.9582 4.2727 4.2742 9.2048 9.2167 9.6168 9.6230 10.0162 10.0440 10.9985 11.0088 11.3876 11.3922 k = 0.0000 0.5593 0.1729 ( 4958 PWs) bands (ev): -13.3401 -13.3400 -13.1253 -13.1253 -11.1479 -11.1477 -10.8570 -10.8560 -9.3721 -9.3678 -9.3462 -9.3446 -4.1992 -4.1992 -3.7301 -3.7223 -1.9354 -1.9293 -1.4976 -1.4932 -0.8158 -0.8116 -0.7124 -0.7005 0.5779 0.6039 0.6350 0.6574 0.9686 0.9727 1.4830 1.4932 2.1347 2.1374 2.3926 2.3998 2.7986 2.8037 3.0355 3.0391 3.3668 3.3686 3.8980 3.9018 3.9526 3.9557 4.2666 4.2682 9.1907 9.2035 9.5783 9.5857 9.9783 10.0086 10.9749 10.9856 11.4339 11.4390 k = 0.0000 0.5593 0.1902 ( 4952 PWs) bands (ev): -13.3348 -13.3347 -13.1263 -13.1263 -11.1296 -11.1294 -10.8440 -10.8429 -9.4072 -9.4025 -9.3836 -9.3818 -4.1721 -4.1720 -3.6948 -3.6863 -1.9718 -1.9654 -1.4582 -1.4525 -0.7828 -0.7779 -0.7482 -0.7467 0.5741 0.6005 0.6472 0.6684 0.9782 0.9835 1.4956 1.5063 2.0925 2.0954 2.3944 2.4025 2.8172 2.8222 3.0420 3.0454 3.3544 3.3564 3.9095 3.9130 3.9523 3.9553 4.2600 4.2617 9.1790 9.1927 9.5398 9.5481 9.9473 9.9796 10.9512 10.9620 11.4728 11.4784 k = 0.0000 0.5593 0.2074 ( 4952 PWs) bands (ev): -13.3293 -13.3292 -13.1275 -13.1274 -11.1096 -11.1095 -10.8297 -10.8285 -9.4447 -9.4397 -9.4231 -9.4211 -4.1430 -4.1428 -3.6573 -3.6483 -2.0110 -2.0043 -1.4228 -1.4152 -0.8096 -0.7966 -0.7261 -0.7174 0.5711 0.5978 0.6586 0.6787 0.9875 0.9938 1.5058 1.5170 2.0508 2.0537 2.3937 2.4029 2.8346 2.8397 3.0493 3.0524 3.3418 3.3442 3.9151 3.9170 3.9582 3.9599 4.2527 4.2547 9.1706 9.1851 9.5030 9.5118 9.9221 9.9560 10.9273 10.9380 11.5050 11.5112 k = 0.0000 0.5593 0.2247 ( 4948 PWs) bands (ev): -13.3233 -13.3232 -13.1288 -13.1287 -11.0880 -11.0878 -10.8141 -10.8128 -9.4845 -9.4793 -9.4643 -9.4622 -4.1120 -4.1117 -3.6181 -3.6086 -2.0526 -2.0458 -1.3957 -1.3857 -0.8392 -0.8289 -0.6772 -0.6687 0.5689 0.5960 0.6691 0.6881 0.9961 1.0036 1.5129 1.5246 2.0101 2.0129 2.3902 2.4004 2.8509 2.8559 3.0571 3.0600 3.3296 3.3323 3.9134 3.9135 3.9702 3.9705 4.2450 4.2471 9.1659 9.1813 9.4694 9.4787 9.9018 9.9370 10.9030 10.9136 11.5311 11.5381 k = 0.0000 0.5593 0.2420 ( 4950 PWs) bands (ev): -13.3171 -13.3170 -13.1303 -13.1302 -11.0647 -11.0644 -10.7973 -10.7959 -9.5265 -9.5214 -9.5066 -9.5047 -4.0791 -4.0787 -3.5775 -3.5675 -2.0960 -2.0892 -1.3826 -1.3698 -0.8532 -0.8458 -0.6236 -0.6150 0.5678 0.5952 0.6789 0.6968 1.0040 1.0124 1.5160 1.5282 1.9710 1.9736 2.3831 2.3944 2.8660 2.8709 3.0652 3.0676 3.3184 3.3214 3.9058 3.9068 3.9844 3.9849 4.2368 4.2391 9.1654 9.1817 9.4405 9.4499 9.8855 9.9218 10.8783 10.8885 11.5521 11.5599 k = 0.0000 0.5593 0.2593 ( 4956 PWs) bands (ev): -13.3105 -13.3104 -13.1320 -13.1319 -11.0397 -11.0394 -10.7792 -10.7777 -9.5706 -9.5659 -9.5496 -9.5482 -4.0445 -4.0441 -3.5358 -3.5254 -2.1408 -2.1341 -1.3875 -1.3721 -0.8467 -0.8419 -0.5663 -0.5573 0.5677 0.5954 0.6878 0.7047 1.0110 1.0202 1.5142 1.5270 1.9345 1.9368 2.3722 2.3845 2.8798 2.8846 3.0729 3.0748 3.3090 3.3122 3.8954 3.8971 3.9994 4.0002 4.2284 4.2308 9.1695 9.1868 9.4173 9.4268 9.8727 9.9100 10.8528 10.8627 11.5682 11.5770 k = 0.0000 0.5593 0.2766 ( 4944 PWs) bands (ev): -13.3038 -13.3036 -13.1339 -13.1339 -11.0131 -11.0128 -10.7599 -10.7583 -9.6166 -9.6125 -9.5932 -9.5925 -4.0083 -4.0077 -3.4935 -3.4828 -2.1864 -2.1798 -1.4111 -1.3937 -0.8193 -0.8164 -0.5058 -0.4964 0.5687 0.5966 0.6961 0.7121 1.0170 1.0269 1.5064 1.5200 1.9016 1.9034 2.3571 2.3704 2.8924 2.8971 3.0795 3.0808 3.3024 3.3058 3.8831 3.8853 4.0145 4.0155 4.2198 4.2223 9.1786 9.1969 9.4006 9.4100 9.8630 9.9011 10.8264 10.8357 11.5798 11.5897 k = 0.0000 0.5593 0.2939 ( 4942 PWs) bands (ev): -13.2968 -13.2966 -13.1361 -13.1360 -10.9848 -10.9845 -10.7393 -10.7377 -9.6641 -9.6606 -9.6373 -9.6373 -3.9706 -3.9699 -3.4510 -3.4401 -2.2320 -2.2258 -1.4497 -1.4313 -0.7744 -0.7725 -0.4425 -0.4326 0.5708 0.5989 0.7037 0.7188 1.0218 1.0322 1.4919 1.5061 1.8730 1.8743 2.3378 2.3518 2.9036 2.9083 3.0840 3.0846 3.2997 3.3032 3.8691 3.8717 4.0293 4.0302 4.2111 4.2137 9.1927 9.2120 9.3908 9.4001 9.8560 9.8949 10.7987 10.8074 11.5869 11.5980 k = 0.0000 0.5593 0.3112 ( 4934 PWs) bands (ev): -13.2896 -13.2894 -13.1385 -13.1384 -10.9551 -10.9547 -10.7176 -10.7158 -9.7129 -9.7099 -9.6824 -9.6819 -3.9315 -3.9306 -3.4090 -3.3980 -2.2770 -2.2712 -1.4991 -1.4802 -0.7168 -0.7151 -0.3769 -0.3666 0.5740 0.6022 0.7108 0.7252 1.0252 1.0360 1.4699 1.4848 1.8495 1.8503 2.3141 2.3289 2.9136 2.9182 3.0854 3.0856 3.3016 3.3051 3.8535 3.8564 4.0433 4.0441 4.2024 4.2052 9.2118 9.2324 9.3884 9.3975 9.8516 9.8910 10.7694 10.7774 11.5889 11.6016 k = 0.0000 0.5593 0.3284 ( 4942 PWs) bands (ev): -13.2823 -13.2821 -13.1412 -13.1411 -10.9238 -10.9234 -10.6947 -10.6928 -9.7627 -9.7601 -9.7278 -9.7268 -3.8910 -3.8900 -3.3682 -3.3573 -2.3203 -2.3151 -1.5555 -1.5365 -0.6502 -0.6485 -0.3099 -0.2991 0.5783 0.6065 0.7175 0.7312 1.0271 1.0381 1.4407 1.4561 1.8311 1.8315 2.2863 2.3016 2.9224 2.9269 3.0831 3.0841 3.3085 3.3119 3.8364 3.8396 4.0565 4.0571 4.1940 4.1969 9.2359 9.2577 9.3936 9.4023 9.8495 9.8894 10.7381 10.7454 11.5846 11.5993 k = 0.0000 0.5593 0.3457 ( 4940 PWs) bands (ev): -13.2749 -13.2747 -13.1442 -13.1441 -10.8910 -10.8906 -10.6707 -10.6688 -9.8130 -9.8108 -9.7733 -9.7719 -3.8493 -3.8482 -3.3294 -3.3188 -2.3610 -2.3566 -1.6163 -1.5974 -0.5778 -0.5758 -0.2419 -0.2307 0.5837 0.6118 0.7239 0.7370 1.0274 1.0383 1.4047 1.4206 1.8176 1.8176 2.2546 2.2704 2.9300 2.9345 3.0777 3.0795 3.3201 3.3234 3.8181 3.8214 4.0686 4.0691 4.1860 4.1889 9.2646 9.2879 9.4063 9.4144 9.8495 9.8897 10.7043 10.7109 11.5612 11.5806 k = 0.0000 0.5593 0.3630 ( 4942 PWs) bands (ev): -13.2674 -13.2672 -13.1474 -13.1473 -10.8568 -10.8564 -10.6457 -10.6437 -9.8636 -9.8616 -9.8186 -9.8170 -3.8065 -3.8052 -3.2940 -3.2838 -2.3976 -2.3943 -1.6798 -1.6611 -0.5015 -0.4991 -0.1741 -0.1624 0.5905 0.6184 0.7302 0.7428 1.0257 1.0364 1.3629 1.3792 1.8078 1.8081 2.2196 2.2356 2.9366 2.9410 3.0701 3.0724 3.3356 3.3388 3.7985 3.8020 4.0797 4.0800 4.1784 4.1813 9.2976 9.3225 9.4264 9.4337 9.8516 9.8918 10.6677 10.6734 11.4955 11.5272 k = 0.0000 0.5593 0.3803 ( 4944 PWs) bands (ev): -13.2599 -13.2597 -13.1509 -13.1508 -10.8213 -10.8208 -10.6198 -10.6177 -9.9141 -9.9123 -9.8638 -9.8619 -3.7626 -3.7612 -3.2632 -3.2537 -2.4287 -2.4266 -1.7448 -1.7264 -0.4229 -0.4201 -0.1073 -0.0954 0.5989 0.6262 0.7365 0.7487 1.0219 1.0320 1.3166 1.3333 1.8014 1.8020 2.1820 2.1979 2.9423 2.9467 3.0608 3.0638 3.3542 3.3573 3.7779 3.7815 4.0897 4.0898 4.1713 4.1743 9.3343 9.3609 9.4533 9.4595 9.8555 9.8956 10.6277 10.6324 11.4274 11.4603 k = 0.0000 0.5593 0.3976 ( 4942 PWs) bands (ev): -13.2523 -13.2522 -13.1548 -13.1546 -10.7846 -10.7841 -10.5933 -10.5912 -9.9641 -9.9625 -9.9084 -9.9064 -3.7179 -3.7164 -3.2386 -3.2302 -2.4523 -2.4519 -1.8105 -1.7925 -0.3436 -0.3401 -0.0430 -0.0309 0.6093 0.6356 0.7432 0.7551 1.0154 1.0248 1.2668 1.2839 1.7979 1.7987 2.1423 2.1581 2.9472 2.9516 3.0507 3.0541 3.3750 3.3781 3.7564 3.7601 4.0984 4.0985 4.1649 4.1678 9.3741 9.4025 9.4865 9.4911 9.8613 9.9007 10.5837 10.5875 11.3619 11.3958 k = 0.0000 0.5593 0.4149 ( 4932 PWs) bands (ev): -13.2449 -13.2447 -13.1589 -13.1588 -10.7468 -10.7462 -10.5664 -10.5643 -10.0131 -10.0116 -9.9524 -9.9502 -3.6724 -3.6708 -3.2220 -3.2150 -2.4682 -2.4667 -1.8763 -1.8587 -0.2645 -0.2605 0.0174 0.0292 0.6221 0.6469 0.7507 0.7621 1.0061 1.0144 1.2147 1.2321 1.7967 1.7980 2.1016 2.1170 2.9515 2.9560 3.0403 3.0441 3.3974 3.4005 3.7342 3.7380 4.1058 4.1062 4.1592 4.1621 9.4161 9.4464 9.5249 9.5272 9.8691 9.9073 10.5355 10.5383 11.3010 11.3360 k = 0.0000 0.5593 0.4322 ( 4934 PWs) bands (ev): -13.2375 -13.2373 -13.1633 -13.1632 -10.7081 -10.7075 -10.5398 -10.5376 -10.0604 -10.0590 -9.9953 -9.9931 -3.6264 -3.6247 -3.2148 -3.2093 -2.4741 -2.4706 -1.9417 -1.9245 -0.1871 -0.1825 0.0719 0.0829 0.6381 0.6607 0.7592 0.7703 0.9934 1.0004 1.1614 1.1791 1.7978 1.7996 2.0608 2.0756 2.9555 2.9600 3.0300 3.0341 3.4209 3.4240 3.7115 3.7153 4.1123 4.1129 4.1542 4.1569 9.4593 9.4915 9.5658 9.5669 9.8798 9.9157 10.4826 10.4845 11.2466 11.2828 k = 0.0000 0.5593 0.4495 ( 4936 PWs) bands (ev): -13.2301 -13.2300 -13.1681 -13.1679 -10.6688 -10.6681 -10.5143 -10.5121 -10.1050 -10.1037 -10.0370 -10.0348 -3.5801 -3.5783 -3.2177 -3.2138 -2.4688 -2.4631 -2.0063 -1.9895 -0.1126 -0.1075 0.1184 0.1279 0.6581 0.6773 0.7693 0.7800 0.9771 0.9826 1.1082 1.1261 1.8013 1.8038 2.0209 2.0349 2.9593 2.9638 3.0201 3.0244 3.4450 3.4482 3.6883 3.6921 4.1177 4.1185 4.1498 4.1525 9.5025 9.5367 9.6042 9.6102 9.8946 9.9266 10.4253 10.4262 11.2004 11.2379 k = 0.0000 0.5593 0.4667 ( 4940 PWs) bands (ev): -13.2230 -13.2228 -13.1731 -13.1729 -10.6292 -10.6285 -10.4915 -10.4893 -10.1452 -10.1440 -10.0770 -10.0747 -3.5337 -3.5319 -3.2305 -3.2280 -2.4523 -2.4446 -2.0695 -2.0532 -0.0425 -0.0369 0.1546 0.1619 0.6826 0.6974 0.7815 0.7918 0.9569 0.9610 1.0567 1.0741 1.8073 1.8106 1.9828 1.9959 2.9630 2.9676 3.0108 3.0153 3.4695 3.4727 3.6647 3.6685 4.1222 4.1233 4.1460 4.1486 9.5443 9.5804 9.6385 9.6513 9.9161 9.9420 10.3640 10.3640 11.1638 11.2027 k = 0.0000 0.5593 0.4840 ( 4938 PWs) bands (ev): -13.2160 -13.2158 -13.1784 -13.1783 -10.5901 -10.5892 -10.4740 -10.4719 -10.1783 -10.1770 -10.1145 -10.1123 -3.4876 -3.4858 -3.2521 -3.2509 -2.4257 -2.4161 -2.1310 -2.1153 0.0216 0.0274 0.1784 0.1829 0.7116 0.7210 0.7957 0.8057 0.9333 0.9362 1.0085 1.0247 1.8162 1.8204 1.9475 1.9594 2.9669 2.9715 3.0023 3.0068 3.4942 3.4975 3.6409 3.6446 4.1261 4.1274 4.1427 4.1452 9.5833 9.6211 9.6640 9.6851 9.9470 9.9653 10.2988 10.2994 11.1381 11.1783 k = 0.0000 0.5593 0.5013 ( 4938 PWs) bands (ev): -13.2091 -13.2089 -13.1840 -13.1839 -10.5523 -10.5514 -10.4658 -10.4639 -10.2002 -10.1988 -10.1486 -10.1464 -3.4421 -3.4405 -3.2810 -3.2808 -2.3903 -2.3792 -2.1903 -2.1752 0.0779 0.0835 0.1881 0.1896 0.7441 0.7476 0.8103 0.8204 0.9088 0.9109 0.9656 0.9792 1.8284 1.8337 1.9156 1.9262 2.9712 2.9759 2.9945 2.9991 3.5189 3.5223 3.6168 3.6205 4.1293 4.1308 4.1399 4.1421 9.6178 9.6569 9.6773 9.7066 9.9891 9.9997 10.2320 10.2329 11.1241 11.1656 k = 0.0000 0.5593 0.5186 ( 4942 PWs) bands (ev): -13.2025 -13.2023 -13.1899 -13.1898 -10.5177 -10.5166 -10.4707 -10.4691 -10.2070 -10.2054 -10.1775 -10.1755 -3.3979 -3.3965 -3.3162 -3.3157 -2.3478 -2.3354 -2.2467 -2.2324 0.1245 0.1294 0.1817 0.1830 0.7761 0.7779 0.8169 0.8265 0.8935 0.8961 0.9294 0.9394 1.8441 1.8506 1.8876 1.8968 2.9760 2.9807 2.9876 2.9922 3.5436 3.5470 3.5926 3.5962 4.1322 4.1339 4.1373 4.1394 9.6463 9.6779 9.6857 9.7131 10.0415 10.0462 10.1659 10.1662 11.1222 11.1544 k = 0.0000 0.5593 0.5359 ( 4940 PWs) bands (ev): -13.1961 -13.1961 -13.1959 -13.1959 -10.4892 -10.4892 -10.4878 -10.4878 -10.1984 -10.1984 -10.1965 -10.1965 -3.3556 -3.3556 -3.3545 -3.3545 -2.2995 -2.2995 -2.2861 -2.2861 0.1597 0.1597 0.1631 0.1631 0.8027 0.8027 0.8090 0.8090 0.9024 0.9024 0.9085 0.9085 1.8638 1.8638 1.8716 1.8716 2.9814 2.9814 2.9861 2.9861 3.5681 3.5681 3.5717 3.5717 4.1347 4.1347 4.1367 4.1367 9.6669 9.6669 9.7053 9.7053 10.1016 10.1016 10.1028 10.1028 11.1325 11.1325 k = 0.0000 0.5593 0.5359 ( 4940 PWs) bands (ev): -13.1961 -13.1961 -13.1959 -13.1959 -10.4892 -10.4892 -10.4878 -10.4878 -10.1984 -10.1984 -10.1965 -10.1965 -3.3556 -3.3556 -3.3545 -3.3545 -2.2995 -2.2995 -2.2861 -2.2861 0.1597 0.1597 0.1631 0.1631 0.8027 0.8027 0.8090 0.8090 0.9024 0.9024 0.9085 0.9085 1.8638 1.8638 1.8716 1.8716 2.9814 2.9814 2.9861 2.9861 3.5681 3.5681 3.5717 3.5717 4.1347 4.1347 4.1367 4.1367 9.6669 9.6669 9.7053 9.7053 10.1016 10.1016 10.1028 10.1028 11.1325 11.1325 k = 0.0173 0.5593 0.5359 ( 4940 PWs) bands (ev): -13.1959 -13.1959 -13.1957 -13.1957 -10.4913 -10.4913 -10.4898 -10.4898 -10.1967 -10.1967 -10.1948 -10.1948 -3.3541 -3.3541 -3.3527 -3.3527 -2.3013 -2.3013 -2.2879 -2.2879 0.1603 0.1603 0.1638 0.1638 0.7895 0.7895 0.8100 0.8100 0.9017 0.9017 0.9223 0.9223 1.8628 1.8628 1.8707 1.8707 2.9824 2.9824 2.9871 2.9871 3.5685 3.5685 3.5721 3.5721 4.1333 4.1333 4.1353 4.1353 9.6645 9.6645 9.7026 9.7026 10.1021 10.1021 10.1068 10.1068 11.1308 11.1308 k = 0.0345 0.5593 0.5359 ( 4944 PWs) bands (ev): -13.1953 -13.1953 -13.1951 -13.1951 -10.4973 -10.4973 -10.4955 -10.4955 -10.1919 -10.1919 -10.1898 -10.1898 -3.3493 -3.3493 -3.3474 -3.3474 -2.3067 -2.3067 -2.2933 -2.2933 0.1622 0.1622 0.1658 0.1658 0.7684 0.7684 0.7989 0.7989 0.9142 0.9142 0.9449 0.9449 1.8597 1.8597 1.8679 1.8679 2.9852 2.9852 2.9900 2.9900 3.5697 3.5697 3.5735 3.5735 4.1291 4.1291 4.1312 4.1312 9.6576 9.6576 9.6948 9.6948 10.1065 10.1065 10.1154 10.1154 11.1258 11.1258 k = 0.0518 0.5593 0.5359 ( 4944 PWs) bands (ev): -13.1943 -13.1943 -13.1940 -13.1940 -10.5069 -10.5069 -10.5048 -10.5048 -10.1844 -10.1844 -10.1820 -10.1820 -3.3412 -3.3412 -3.3386 -3.3386 -2.3157 -2.3157 -2.3023 -2.3023 0.1654 0.1654 0.1691 0.1691 0.7454 0.7454 0.7799 0.7799 0.9355 0.9355 0.9703 0.9703 1.8547 1.8547 1.8634 1.8634 2.9898 2.9898 2.9948 2.9948 3.5717 3.5717 3.5758 3.5758 4.1221 4.1221 4.1245 4.1245 9.6466 9.6466 9.6825 9.6825 10.1149 10.1149 10.1277 10.1277 11.1178 11.1178 k = 0.0691 0.5593 0.5359 ( 4950 PWs) bands (ev): -13.1929 -13.1929 -13.1926 -13.1926 -10.5195 -10.5195 -10.5170 -10.5170 -10.1744 -10.1744 -10.1719 -10.1719 -3.3299 -3.3299 -3.3266 -3.3266 -2.3281 -2.3281 -2.3148 -2.3148 0.1697 0.1697 0.1738 0.1738 0.7219 0.7219 0.7580 0.7580 0.9606 0.9606 0.9972 0.9972 1.8480 1.8480 1.8571 1.8571 2.9959 2.9959 3.0011 3.0011 3.5745 3.5745 3.5790 3.5790 4.1124 4.1124 4.1151 4.1151 9.6322 9.6322 9.6665 9.6665 10.1267 10.1267 10.1430 10.1430 11.1070 11.1070 k = 0.0863 0.5593 0.5359 ( 4944 PWs) bands (ev): -13.1912 -13.1912 -13.1908 -13.1908 -10.5344 -10.5344 -10.5317 -10.5317 -10.1627 -10.1627 -10.1600 -10.1600 -3.3155 -3.3155 -3.3114 -3.3114 -2.3438 -2.3438 -2.3306 -2.3306 0.1753 0.1753 0.1797 0.1797 0.6986 0.6986 0.7351 0.7351 0.9873 0.9873 1.0247 1.0247 1.8396 1.8396 1.8493 1.8493 3.0034 3.0034 3.0088 3.0088 3.5782 3.5782 3.5832 3.5832 4.1002 4.1002 4.1033 4.1033 9.6154 9.6154 9.6479 9.6479 10.1415 10.1415 10.1607 10.1607 11.0938 11.0938 k = 0.1036 0.5593 0.5359 ( 4938 PWs) bands (ev): -13.1891 -13.1891 -13.1887 -13.1887 -10.5512 -10.5512 -10.5483 -10.5483 -10.1496 -10.1496 -10.1467 -10.1467 -3.2981 -3.2981 -3.2933 -3.2933 -2.3627 -2.3627 -2.3496 -2.3496 0.1820 0.1820 0.1869 0.1869 0.6757 0.6757 0.7121 0.7121 1.0149 1.0149 1.0524 1.0524 1.8299 1.8299 1.8402 1.8402 3.0119 3.0119 3.0176 3.0176 3.5829 3.5829 3.5883 3.5883 4.0856 4.0856 4.0890 4.0890 9.5968 9.5968 9.6273 9.6273 10.1585 10.1585 10.1803 10.1803 11.0786 11.0786 k = 0.1208 0.5593 0.5359 ( 4940 PWs) bands (ev): -13.1867 -13.1867 -13.1862 -13.1862 -10.5694 -10.5694 -10.5663 -10.5663 -10.1354 -10.1354 -10.1325 -10.1325 -3.2779 -3.2779 -3.2723 -3.2723 -2.3844 -2.3844 -2.3714 -2.3714 0.1898 0.1898 0.1953 0.1953 0.6535 0.6535 0.6894 0.6894 1.0427 1.0427 1.0803 1.0803 1.8190 1.8190 1.8299 1.8299 3.0212 3.0212 3.0270 3.0270 3.5885 3.5885 3.5944 3.5944 4.0688 4.0688 4.0726 4.0726 9.5772 9.5772 9.6058 9.6058 10.1774 10.1774 10.2012 10.2012 11.0618 11.0618 k = 0.1381 0.5593 0.5359 ( 4934 PWs) bands (ev): -13.1840 -13.1840 -13.1835 -13.1835 -10.5887 -10.5887 -10.5855 -10.5855 -10.1206 -10.1206 -10.1177 -10.1177 -3.2553 -3.2553 -3.2489 -3.2489 -2.4088 -2.4088 -2.3959 -2.3959 0.1986 0.1986 0.2048 0.2048 0.6320 0.6320 0.6672 0.6672 1.0704 1.0704 1.1079 1.1079 1.8072 1.8072 1.8187 1.8187 3.0307 3.0307 3.0367 3.0367 3.5952 3.5952 3.6015 3.6015 4.0500 4.0500 4.0542 4.0542 9.5571 9.5571 9.5839 9.5839 10.1977 10.1977 10.2232 10.2232 11.0438 11.0438 k = 0.1554 0.5593 0.5359 ( 4930 PWs) bands (ev): -13.1810 -13.1810 -13.1805 -13.1805 -10.6087 -10.6087 -10.6054 -10.6054 -10.1053 -10.1053 -10.1023 -10.1023 -3.2304 -3.2304 -3.2233 -3.2233 -2.4355 -2.4355 -2.4227 -2.4227 0.2085 0.2085 0.2155 0.2155 0.6112 0.6112 0.6455 0.6455 1.0979 1.0979 1.1351 1.1351 1.7948 1.7948 1.8068 1.8068 3.0403 3.0403 3.0464 3.0464 3.6029 3.6029 3.6097 3.6097 4.0294 4.0294 4.0340 4.0340 9.5372 9.5372 9.5621 9.5621 10.2192 10.2192 10.2460 10.2460 11.0248 11.0248 k = 0.1726 0.5593 0.5359 ( 4930 PWs) bands (ev): -13.1779 -13.1779 -13.1773 -13.1773 -10.6292 -10.6292 -10.6258 -10.6258 -10.0897 -10.0897 -10.0867 -10.0867 -3.2038 -3.2038 -3.1959 -3.1959 -2.4641 -2.4641 -2.4513 -2.4513 0.2193 0.2193 0.2272 0.2272 0.5913 0.5913 0.6244 0.6244 1.1248 1.1248 1.1617 1.1617 1.7820 1.7820 1.7945 1.7945 3.0496 3.0496 3.0556 3.0556 3.6117 3.6117 3.6189 3.6189 4.0075 4.0075 4.0125 4.0125 9.5178 9.5178 9.5410 9.5410 10.2414 10.2414 10.2693 10.2693 11.0054 11.0054 k = 0.1899 0.5593 0.5359 ( 4928 PWs) bands (ev): -13.1745 -13.1745 -13.1740 -13.1740 -10.6499 -10.6499 -10.6465 -10.6465 -10.0740 -10.0740 -10.0710 -10.0710 -3.1760 -3.1760 -3.1673 -3.1673 -2.4939 -2.4939 -2.4812 -2.4812 0.2310 0.2310 0.2398 0.2398 0.5721 0.5721 0.6041 0.6041 1.1509 1.1509 1.1875 1.1875 1.7691 1.7691 1.7819 1.7819 3.0581 3.0581 3.0641 3.0641 3.6214 3.6214 3.6289 3.6289 3.9845 3.9845 3.9899 3.9899 9.4992 9.4992 9.5209 9.5209 10.2643 10.2643 10.2929 10.2929 10.9858 10.9858 k = 0.2072 0.5593 0.5359 ( 4922 PWs) bands (ev): -13.1711 -13.1711 -13.1705 -13.1705 -10.6707 -10.6707 -10.6672 -10.6672 -10.0581 -10.0581 -10.0552 -10.0552 -3.1478 -3.1478 -3.1384 -3.1384 -2.5242 -2.5242 -2.5115 -2.5115 0.2436 0.2436 0.2533 0.2533 0.5538 0.5538 0.5844 0.5844 1.1760 1.1760 1.2123 1.2123 1.7563 1.7563 1.7693 1.7693 3.0657 3.0657 3.0716 3.0716 3.6320 3.6320 3.6398 3.6398 3.9610 3.9610 3.9667 3.9667 9.4817 9.4817 9.5021 9.5021 10.2875 10.2875 10.3166 10.3166 10.9666 10.9666 k = 0.2244 0.5593 0.5359 ( 4930 PWs) bands (ev): -13.1676 -13.1676 -13.1670 -13.1670 -10.6913 -10.6913 -10.6878 -10.6878 -10.0423 -10.0423 -10.0393 -10.0393 -3.1202 -3.1202 -3.1101 -3.1101 -2.5540 -2.5540 -2.5412 -2.5412 0.2569 0.2569 0.2676 0.2676 0.5364 0.5364 0.5655 0.5655 1.1997 1.1997 1.2357 1.2357 1.7440 1.7440 1.7569 1.7569 3.0720 3.0720 3.0779 3.0779 3.6431 3.6431 3.6511 3.6511 3.9375 3.9375 3.9435 3.9435 9.4655 9.4655 9.4847 9.4847 10.3108 10.3108 10.3401 10.3401 10.9480 10.9480 k = 0.2417 0.5593 0.5359 ( 4936 PWs) bands (ev): -13.1642 -13.1642 -13.1636 -13.1636 -10.7115 -10.7115 -10.7081 -10.7081 -10.0265 -10.0265 -10.0236 -10.0236 -3.0948 -3.0948 -3.0841 -3.0841 -2.5816 -2.5816 -2.5689 -2.5689 0.2709 0.2709 0.2825 0.2825 0.5200 0.5200 0.5474 0.5474 1.2218 1.2218 1.2575 1.2575 1.7324 1.7324 1.7451 1.7451 3.0769 3.0769 3.0827 3.0827 3.6544 3.6544 3.6625 3.6625 3.9146 3.9146 3.9210 3.9210 9.4506 9.4506 9.4689 9.4689 10.3338 10.3338 10.3630 10.3630 10.9308 10.9308 k = 0.2590 0.5593 0.5359 ( 4940 PWs) bands (ev): -13.1607 -13.1607 -13.1601 -13.1601 -10.7313 -10.7313 -10.7279 -10.7279 -10.0108 -10.0108 -10.0079 -10.0079 -3.0736 -3.0736 -3.0625 -3.0625 -2.6050 -2.6050 -2.5925 -2.5925 0.2854 0.2854 0.2979 0.2979 0.5046 0.5046 0.5304 0.5304 1.2418 1.2418 1.2773 1.2773 1.7219 1.7219 1.7342 1.7342 3.0803 3.0803 3.0860 3.0860 3.6651 3.6651 3.6732 3.6732 3.8935 3.8935 3.9000 3.9000 9.4372 9.4372 9.4546 9.4546 10.3560 10.3560 10.3848 10.3848 10.9155 10.9155 k = 0.2762 0.5593 0.5359 ( 4936 PWs) bands (ev): -13.1574 -13.1574 -13.1568 -13.1568 -10.7504 -10.7504 -10.7470 -10.7470 -9.9952 -9.9952 -9.9923 -9.9923 -3.0591 -3.0591 -3.0480 -3.0480 -2.6214 -2.6214 -2.6093 -2.6093 0.3000 0.3000 0.3133 0.3133 0.4905 0.4905 0.5145 0.5145 1.2594 1.2594 1.2945 1.2945 1.7129 1.7129 1.7245 1.7245 3.0821 3.0821 3.0877 3.0877 3.6742 3.6742 3.6823 3.6823 3.8754 3.8754 3.8818 3.8818 9.4251 9.4251 9.4419 9.4419 10.3771 10.3771 10.4051 10.4051 10.9029 10.9029 k = 0.2935 0.5593 0.5359 ( 4928 PWs) bands (ev): -13.1543 -13.1543 -13.1537 -13.1537 -10.7688 -10.7688 -10.7655 -10.7655 -9.9797 -9.9797 -9.9769 -9.9769 -3.0542 -3.0542 -3.0435 -3.0435 -2.6282 -2.6282 -2.6168 -2.6168 0.3144 0.3144 0.3283 0.3283 0.4783 0.4783 0.5005 0.5005 1.2738 1.2738 1.3086 1.3086 1.7060 1.7060 1.7167 1.7167 3.0824 3.0824 3.0879 3.0879 3.6804 3.6804 3.6881 3.6881 3.8618 3.8618 3.8679 3.8679 9.4143 9.4143 9.4307 9.4307 10.3961 10.3961 10.4231 10.4231 10.8937 10.8937 k = 0.3107 0.5593 0.5359 ( 4934 PWs) bands (ev): -13.1514 -13.1514 -13.1508 -13.1508 -10.7863 -10.7863 -10.7830 -10.7830 -9.9643 -9.9643 -9.9616 -9.9616 -3.0608 -3.0608 -3.0509 -3.0509 -2.6234 -2.6234 -2.6128 -2.6128 0.3274 0.3274 0.3418 0.3418 0.4687 0.4687 0.4891 0.4891 1.2846 1.2846 1.3189 1.3189 1.7016 1.7016 1.7113 1.7113 3.0812 3.0812 3.0867 3.0867 3.6820 3.6820 3.6891 3.6891 3.8545 3.8545 3.8601 3.8601 9.4047 9.4047 9.4209 9.4209 10.4124 10.4124 10.4381 10.4381 10.8888 10.8888 k = 0.3280 0.5593 0.5359 ( 4934 PWs) bands (ev): -13.1488 -13.1488 -13.1482 -13.1482 -10.8027 -10.8027 -10.7995 -10.7995 -9.9491 -9.9491 -9.9464 -9.9464 -3.0791 -3.0791 -3.0701 -3.0701 -2.6073 -2.6073 -2.5972 -2.5972 0.3376 0.3376 0.3523 0.3523 0.4634 0.4634 0.4820 0.4820 1.2911 1.2911 1.3248 1.3248 1.7001 1.7001 1.7089 1.7089 3.0787 3.0787 3.0842 3.0842 3.6781 3.6781 3.6847 3.6847 3.8542 3.8542 3.8593 3.8593 9.3962 9.3962 9.4122 9.4122 10.4250 10.4250 10.4494 10.4494 10.8891 10.8891 k = 0.3453 0.5593 0.5359 ( 4932 PWs) bands (ev): -13.1466 -13.1466 -13.1460 -13.1460 -10.8180 -10.8180 -10.8149 -10.8149 -9.9341 -9.9341 -9.9314 -9.9314 -3.1078 -3.1078 -3.0993 -3.0993 -2.5815 -2.5815 -2.5717 -2.5717 0.3430 0.3430 0.3578 0.3578 0.4638 0.4638 0.4813 0.4813 1.2927 1.2927 1.3258 1.3258 1.7019 1.7019 1.7103 1.7103 3.0752 3.0752 3.0806 3.0806 3.6691 3.6691 3.6754 3.6754 3.8603 3.8603 3.8653 3.8653 9.3886 9.3886 9.4046 9.4046 10.4331 10.4331 10.4566 10.4566 10.8950 10.8951 k = 0.3453 0.5593 0.5359 ( 4932 PWs) bands (ev): -13.1466 -13.1466 -13.1460 -13.1460 -10.8180 -10.8180 -10.8149 -10.8149 -9.9341 -9.9341 -9.9314 -9.9314 -3.1078 -3.1078 -3.0993 -3.0993 -2.5815 -2.5815 -2.5717 -2.5717 0.3430 0.3430 0.3578 0.3578 0.4638 0.4638 0.4813 0.4813 1.2927 1.2927 1.3258 1.3258 1.7019 1.7019 1.7103 1.7103 3.0752 3.0752 3.0806 3.0806 3.6691 3.6691 3.6754 3.6754 3.8603 3.8603 3.8653 3.8653 9.3886 9.3886 9.4046 9.4046 10.4331 10.4331 10.4566 10.4566 10.8950 10.8951 k = 0.3362 0.5446 0.5359 ( 4932 PWs) bands (ev): -13.1506 -13.1506 -13.1500 -13.1500 -10.7893 -10.7893 -10.7860 -10.7860 -9.9629 -9.9629 -9.9601 -9.9601 -3.0439 -3.0439 -3.0346 -3.0346 -2.6394 -2.6394 -2.6297 -2.6297 0.3382 0.3382 0.3529 0.3529 0.4562 0.4562 0.4751 0.4751 1.2941 1.2941 1.3284 1.3284 1.6962 1.6962 1.7046 1.7046 3.0824 3.0824 3.0879 3.0879 3.6905 3.6905 3.6972 3.6972 3.8439 3.8439 3.8489 3.8489 9.4012 9.4012 9.4172 9.4172 10.4224 10.4224 10.4471 10.4471 10.8861 10.8861 k = 0.3271 0.5299 0.5359 ( 4936 PWs) bands (ev): -13.1548 -13.1548 -13.1541 -13.1541 -10.7591 -10.7591 -10.7557 -10.7557 -9.9920 -9.9920 -9.9892 -9.9892 -2.9786 -2.9786 -2.9684 -2.9684 -2.6993 -2.6993 -2.6898 -2.6898 0.3332 0.3332 0.3478 0.3478 0.4480 0.4480 0.4683 0.4683 1.2945 1.2945 1.3299 1.3299 1.6925 1.6925 1.7010 1.7010 3.0887 3.0887 3.0942 3.0942 3.7124 3.7124 3.7193 3.7193 3.8287 3.8287 3.8336 3.8336 9.4114 9.4114 9.4272 9.4272 10.4113 10.4113 10.4370 10.4370 10.8823 10.8823 k = 0.3180 0.5152 0.5359 ( 4930 PWs) bands (ev): -13.1591 -13.1591 -13.1585 -13.1585 -10.7276 -10.7276 -10.7241 -10.7241 -10.0213 -10.0213 -10.0185 -10.0185 -2.9123 -2.9123 -2.9010 -2.9010 -2.7610 -2.7610 -2.7520 -2.7520 0.3278 0.3278 0.3422 0.3422 0.4392 0.4392 0.4609 0.4609 1.2940 1.2940 1.3303 1.3303 1.6910 1.6910 1.6996 1.6996 3.0941 3.0941 3.0997 3.0997 3.7344 3.7344 3.7417 3.7417 3.8150 3.8150 3.8196 3.8196 9.4190 9.4190 9.4345 9.4345 10.3993 10.3993 10.4259 10.4259 10.8837 10.8837 k = 0.3089 0.5004 0.5359 ( 4946 PWs) bands (ev): -13.1637 -13.1637 -13.1630 -13.1630 -10.6949 -10.6949 -10.6912 -10.6912 -10.0507 -10.0507 -10.0479 -10.0479 -2.8484 -2.8484 -2.8338 -2.8338 -2.8210 -2.8210 -2.8147 -2.8147 0.3219 0.3219 0.3361 0.3361 0.4297 0.4297 0.4528 0.4528 1.2927 1.2927 1.3299 1.3299 1.6919 1.6919 1.7005 1.7005 3.0986 3.0986 3.1042 3.1042 3.7562 3.7562 3.7642 3.7642 3.8030 3.8030 3.8071 3.8071 9.4238 9.4238 9.4389 9.4389 10.3859 10.3859 10.4134 10.4134 10.8906 10.8906 k = 0.2998 0.4857 0.5359 ( 4938 PWs) bands (ev): -13.1684 -13.1684 -13.1677 -13.1677 -10.6609 -10.6609 -10.6571 -10.6571 -10.0801 -10.0801 -10.0773 -10.0773 -2.8916 -2.8916 -2.8820 -2.8820 -2.7747 -2.7747 -2.7628 -2.7628 0.3153 0.3153 0.3294 0.3294 0.4197 0.4197 0.4440 0.4440 1.2909 1.2909 1.3286 1.3286 1.6952 1.6952 1.7039 1.7039 3.1021 3.1021 3.1078 3.1078 3.7759 3.7759 3.7863 3.7863 3.7947 3.7947 3.7966 3.7966 9.4260 9.4260 9.4406 9.4406 10.3707 10.3707 10.3989 10.3989 10.9031 10.9031 k = 0.2908 0.4710 0.5359 ( 4938 PWs) bands (ev): -13.1733 -13.1733 -13.1726 -13.1726 -10.6258 -10.6258 -10.6219 -10.6219 -10.1094 -10.1094 -10.1066 -10.1066 -2.9579 -2.9579 -2.9490 -2.9490 -2.7064 -2.7064 -2.6932 -2.6932 0.3078 0.3078 0.3218 0.3218 0.4090 0.4090 0.4345 0.4345 1.2887 1.2887 1.3268 1.3268 1.7011 1.7011 1.7099 1.7099 3.1047 3.1047 3.1105 3.1105 3.7791 3.7791 3.7864 3.7864 3.8044 3.8044 3.8095 3.8095 9.4256 9.4256 9.4396 9.4396 10.3532 10.3532 10.3820 10.3820 10.9208 10.9208 k = 0.2817 0.4563 0.5359 ( 4942 PWs) bands (ev): -13.1784 -13.1784 -13.1776 -13.1776 -10.5896 -10.5896 -10.5856 -10.5856 -10.1385 -10.1385 -10.1357 -10.1357 -3.0258 -3.0258 -3.0174 -3.0174 -2.6375 -2.6375 -2.6232 -2.6232 0.2993 0.2993 0.3132 0.3132 0.3978 0.3978 0.4244 0.4244 1.2863 1.2863 1.3246 1.3246 1.7096 1.7096 1.7185 1.7185 3.1064 3.1064 3.1122 3.1122 3.7731 3.7731 3.7789 3.7789 3.8249 3.8249 3.8315 3.8315 9.4229 9.4229 9.4362 9.4362 10.3332 10.3332 10.3625 10.3625 10.9436 10.9436 k = 0.2726 0.4416 0.5359 ( 4936 PWs) bands (ev): -13.1835 -13.1835 -13.1828 -13.1828 -10.5524 -10.5524 -10.5483 -10.5483 -10.1672 -10.1672 -10.1644 -10.1644 -3.0949 -3.0949 -3.0869 -3.0869 -2.5686 -2.5686 -2.5533 -2.5533 0.2898 0.2898 0.3036 0.3036 0.3861 0.3861 0.4137 0.4137 1.2839 1.2839 1.3223 1.3223 1.7207 1.7207 1.7297 1.7297 3.1073 3.1073 3.1131 3.1131 3.7678 3.7678 3.7731 3.7731 3.8460 3.8460 3.8532 3.8532 9.4181 9.4181 9.4308 9.4308 10.3104 10.3104 10.3401 10.3401 10.9710 10.9710 k = 0.2635 0.4268 0.5359 ( 4940 PWs) bands (ev): -13.1888 -13.1888 -13.1881 -13.1881 -10.5142 -10.5142 -10.5100 -10.5100 -10.1955 -10.1955 -10.1928 -10.1928 -3.1649 -3.1649 -3.1574 -3.1574 -2.5000 -2.5000 -2.4836 -2.4836 0.2790 0.2790 0.2927 0.2927 0.3738 0.3738 0.4025 0.4025 1.2818 1.2818 1.3201 1.3201 1.7343 1.7343 1.7434 1.7434 3.1074 3.1074 3.1132 3.1132 3.7640 3.7640 3.7689 3.7689 3.8668 3.8668 3.8744 3.8744 9.4115 9.4115 9.4235 9.4235 10.2847 10.2847 10.3147 10.3147 11.0025 11.0025 k = 0.2544 0.4121 0.5359 ( 4936 PWs) bands (ev): -13.1942 -13.1942 -13.1935 -13.1935 -10.4753 -10.4753 -10.4709 -10.4709 -10.2232 -10.2232 -10.2206 -10.2206 -3.2357 -3.2357 -3.2286 -3.2286 -2.4318 -2.4318 -2.4145 -2.4145 0.2669 0.2669 0.2805 0.2805 0.3612 0.3612 0.3907 0.3907 1.2801 1.2801 1.3182 1.3182 1.7503 1.7503 1.7596 1.7596 3.1067 3.1067 3.1127 3.1127 3.7620 3.7620 3.7664 3.7664 3.8871 3.8871 3.8950 3.8950 9.4036 9.4036 9.4149 9.4149 10.2562 10.2562 10.2863 10.2863 11.0375 11.0375 k = 0.2453 0.3974 0.5359 ( 4940 PWs) bands (ev): -13.1997 -13.1997 -13.1990 -13.1990 -10.4355 -10.4355 -10.4311 -10.4311 -10.2504 -10.2504 -10.2478 -10.2478 -3.3070 -3.3070 -3.3004 -3.3004 -2.3644 -2.3644 -2.3460 -2.3460 0.2536 0.2536 0.2670 0.2670 0.3482 0.3482 0.3787 0.3787 1.2791 1.2791 1.3168 1.3168 1.7687 1.7687 1.7781 1.7781 3.1055 3.1055 3.1115 3.1115 3.7615 3.7615 3.7656 3.7656 3.9066 3.9066 3.9149 3.9149 9.3945 9.3945 9.4052 9.4052 10.2248 10.2248 10.2549 10.2549 11.0752 11.0752 k = 0.2362 0.3827 0.5359 ( 4940 PWs) bands (ev): -13.2053 -13.2053 -13.2045 -13.2045 -10.3952 -10.3952 -10.3907 -10.3907 -10.2769 -10.2769 -10.2744 -10.2744 -3.3787 -3.3787 -3.3725 -3.3725 -2.2979 -2.2979 -2.2786 -2.2786 0.2389 0.2389 0.2521 0.2521 0.3349 0.3349 0.3663 0.3663 1.2789 1.2789 1.3160 1.3160 1.7893 1.7893 1.7987 1.7987 3.1038 3.1038 3.1098 3.1098 3.7626 3.7626 3.7663 3.7663 3.9255 3.9255 3.9340 3.9340 9.3847 9.3847 9.3947 9.3947 10.1907 10.1907 10.2208 10.2208 11.1151 11.1151 k = 0.2272 0.3680 0.5359 ( 4936 PWs) bands (ev): -13.2109 -13.2109 -13.2102 -13.2102 -10.3544 -10.3544 -10.3497 -10.3497 -10.3026 -10.3026 -10.3003 -10.3003 -3.4505 -3.4505 -3.4449 -3.4449 -2.2325 -2.2325 -2.2123 -2.2123 0.2229 0.2229 0.2359 0.2359 0.3215 0.3215 0.3537 0.3537 1.2797 1.2797 1.3160 1.3160 1.8117 1.8117 1.8213 1.8213 3.1017 3.1017 3.1078 3.1078 3.7652 3.7652 3.7685 3.7685 3.9434 3.9434 3.9523 3.9523 9.3742 9.3742 9.3836 9.3836 10.1543 10.1543 10.1842 10.1842 11.1562 11.1562 k = 0.2181 0.3532 0.5359 ( 4940 PWs) bands (ev): -13.2166 -13.2166 -13.2158 -13.2158 -10.3293 -10.3293 -10.3260 -10.3260 -10.3114 -10.3114 -10.3077 -10.3077 -3.5224 -3.5224 -3.5172 -3.5172 -2.1685 -2.1685 -2.1473 -2.1473 0.2057 0.2057 0.2184 0.2184 0.3080 0.3080 0.3411 0.3411 1.2815 1.2815 1.3169 1.3169 1.8358 1.8358 1.8454 1.8454 3.0995 3.0995 3.1057 3.1057 3.7691 3.7691 3.7720 3.7720 3.9605 3.9605 3.9697 3.9697 9.3633 9.3633 9.3722 9.3722 10.1158 10.1158 10.1454 10.1454 11.1978 11.1978 k = 0.2090 0.3385 0.5359 ( 4944 PWs) bands (ev): -13.2223 -13.2223 -13.2215 -13.2215 -10.3526 -10.3526 -10.3500 -10.3500 -10.2706 -10.2706 -10.2663 -10.2663 -3.5940 -3.5940 -3.5892 -3.5892 -2.1060 -2.1060 -2.0840 -2.0840 0.1873 0.1873 0.1997 0.1997 0.2946 0.2946 0.3285 0.3285 1.2843 1.2843 1.3187 1.3187 1.8612 1.8612 1.8708 1.8708 3.0973 3.0973 3.1035 3.1035 3.7743 3.7743 3.7768 3.7768 3.9766 3.9766 3.9861 3.9861 9.3520 9.3520 9.3604 9.3604 10.0754 10.0754 10.1047 10.1047 11.2390 11.2390 k = 0.1999 0.3238 0.5359 ( 4932 PWs) bands (ev): -13.2279 -13.2279 -13.2272 -13.2272 -10.3759 -10.3759 -10.3735 -10.3735 -10.2288 -10.2288 -10.2244 -10.2244 -3.6652 -3.6652 -3.6609 -3.6609 -2.0451 -2.0451 -2.0223 -2.0223 0.1680 0.1680 0.1799 0.1799 0.2815 0.2815 0.3160 0.3160 1.2882 1.2882 1.3215 1.3215 1.8875 1.8875 1.8972 1.8972 3.0953 3.0953 3.1017 3.1017 3.7805 3.7805 3.7827 3.7827 3.9918 3.9918 4.0016 4.0016 9.3405 9.3405 9.3484 9.3484 10.0337 10.0337 10.0624 10.0624 11.2789 11.2789 k = 0.1908 0.3091 0.5359 ( 4928 PWs) bands (ev): -13.2336 -13.2336 -13.2328 -13.2328 -10.3984 -10.3984 -10.3961 -10.3961 -10.1868 -10.1868 -10.1824 -10.1824 -3.7357 -3.7357 -3.7318 -3.7318 -1.9861 -1.9861 -1.9626 -1.9626 0.1477 0.1477 0.1592 0.1592 0.2686 0.2686 0.3038 0.3038 1.2931 1.2931 1.3253 1.3253 1.9144 1.9144 1.9240 1.9240 3.0938 3.0938 3.1004 3.1004 3.7878 3.7878 3.7896 3.7896 4.0060 4.0060 4.0160 4.0160 9.3287 9.3287 9.3362 9.3362 9.9909 9.9909 10.0191 10.0191 11.3166 11.3166 k = 0.1817 0.2944 0.5359 ( 4928 PWs) bands (ev): -13.2391 -13.2391 -13.2384 -13.2384 -10.4199 -10.4199 -10.4177 -10.4177 -10.1449 -10.1449 -10.1405 -10.1405 -3.8054 -3.8054 -3.8019 -3.8019 -1.9290 -1.9290 -1.9049 -1.9049 0.1268 0.1268 0.1378 0.1378 0.2562 0.2562 0.2919 0.2919 1.2990 1.2990 1.3299 1.3299 1.9415 1.9415 1.9510 1.9510 3.0931 3.0931 3.0998 3.0998 3.7959 3.7959 3.7973 3.7973 4.0192 4.0192 4.0294 4.0294 9.3165 9.3165 9.3236 9.3236 9.9473 9.9473 9.9749 9.9749 11.3512 11.3512 k = 0.1726 0.2797 0.5359 ( 4924 PWs) bands (ev): -13.2446 -13.2446 -13.2439 -13.2439 -10.4406 -10.4406 -10.4385 -10.4385 -10.1032 -10.1032 -10.0989 -10.0989 -3.8740 -3.8740 -3.8709 -3.8709 -1.8740 -1.8740 -1.8495 -1.8495 0.1054 0.1054 0.1158 0.1158 0.2443 0.2443 0.2804 0.2804 1.3058 1.3058 1.3353 1.3353 1.9683 1.9683 1.9776 1.9776 3.0934 3.0934 3.1003 3.1003 3.8046 3.8046 3.8058 3.8058 4.0313 4.0313 4.0417 4.0417 9.3040 9.3040 9.3107 9.3107 9.9035 9.9035 9.9303 9.9303 11.3821 11.3821 k = 0.1635 0.2649 0.5359 ( 4922 PWs) bands (ev): -13.2500 -13.2500 -13.2493 -13.2493 -10.4602 -10.4602 -10.4582 -10.4582 -10.0620 -10.0620 -10.0577 -10.0577 -3.9413 -3.9413 -3.9385 -3.9385 -1.8213 -1.8213 -1.7964 -1.7964 0.0836 0.0836 0.0936 0.0936 0.2331 0.2331 0.2694 0.2694 1.3133 1.3133 1.3415 1.3415 1.9944 1.9944 2.0034 2.0034 3.0950 3.0950 3.1021 3.1021 3.8139 3.8139 3.8148 3.8148 4.0425 4.0425 4.0530 4.0530 9.2909 9.2909 9.2974 9.2974 9.8597 9.8597 9.8856 9.8856 11.4088 11.4088 k = 0.1545 0.2502 0.5359 ( 4926 PWs) bands (ev): -13.2553 -13.2553 -13.2546 -13.2546 -10.4788 -10.4788 -10.4769 -10.4769 -10.0213 -10.0213 -10.0171 -10.0171 -4.0070 -4.0070 -4.0046 -4.0046 -1.7709 -1.7709 -1.7458 -1.7458 0.0617 0.0617 0.0712 0.0712 0.2227 0.2227 0.2589 0.2589 1.3215 1.3215 1.3482 1.3482 2.0193 2.0193 2.0279 2.0279 3.0980 3.0980 3.1055 3.1055 3.8237 3.8237 3.8242 3.8242 4.0526 4.0526 4.0633 4.0633 9.2772 9.2772 9.2834 9.2834 9.8162 9.8162 9.8412 9.8412 11.4315 11.4315 k = 0.1454 0.2355 0.5359 ( 4930 PWs) bands (ev): -13.2604 -13.2604 -13.2598 -13.2598 -10.4965 -10.4965 -10.4947 -10.4947 -9.9814 -9.9814 -9.9773 -9.9773 -4.0709 -4.0709 -4.0688 -4.0688 -1.7229 -1.7229 -1.6977 -1.6977 0.0400 0.0400 0.0490 0.0490 0.2131 0.2131 0.2491 0.2491 1.3302 1.3302 1.3554 1.3554 2.0427 2.0427 2.0508 2.0508 3.1029 3.1029 3.1105 3.1105 3.8337 3.8337 3.8339 3.8339 4.0618 4.0618 4.0725 4.0725 9.2629 9.2629 9.2688 9.2688 9.7735 9.7735 9.7975 9.7975 11.4503 11.4503 k = 0.1363 0.2208 0.5359 ( 4930 PWs) bands (ev): -13.2654 -13.2654 -13.2647 -13.2647 -10.5130 -10.5130 -10.5113 -10.5113 -9.9424 -9.9424 -9.9384 -9.9384 -4.1327 -4.1327 -4.1309 -4.1309 -1.6774 -1.6774 -1.6524 -1.6524 0.0185 0.0185 0.0270 0.0270 0.2044 0.2044 0.2399 0.2399 1.3393 1.3393 1.3630 1.3630 2.0641 2.0641 2.0717 2.0717 3.1096 3.1096 3.1175 3.1175 3.8438 3.8438 3.8438 3.8438 4.0701 4.0701 4.0808 4.0808 9.2478 9.2478 9.2535 9.2535 9.7317 9.7317 9.7546 9.7546 11.4661 11.4661 k = 0.1272 0.2061 0.5359 ( 4930 PWs) bands (ev): -13.2701 -13.2701 -13.2695 -13.2695 -10.5286 -10.5286 -10.5270 -10.5270 -9.9045 -9.9045 -9.9007 -9.9007 -4.1922 -4.1922 -4.1907 -4.1907 -1.6345 -1.6345 -1.6098 -1.6098 -0.0024 -0.0024 0.0055 0.0055 0.1965 0.1965 0.2313 0.2313 1.3486 1.3486 1.3708 1.3708 2.0833 2.0833 2.0903 2.0903 3.1182 3.1182 3.1264 3.1264 3.8538 3.8538 3.8539 3.8539 4.0775 4.0775 4.0881 4.0881 9.2320 9.2320 9.2375 9.2375 9.6913 9.6913 9.7130 9.7130 11.4798 11.4798 k = 0.1181 0.1913 0.5359 ( 4930 PWs) bands (ev): -13.2746 -13.2746 -13.2741 -13.2741 -10.5430 -10.5430 -10.5416 -10.5416 -9.8680 -9.8680 -9.8643 -9.8643 -4.2491 -4.2491 -4.2479 -4.2479 -1.5943 -1.5943 -1.5701 -1.5701 -0.0227 -0.0227 -0.0152 -0.0152 0.1896 0.1896 0.2235 0.2235 1.3580 1.3580 1.3786 1.3786 2.1001 2.1001 2.1065 2.1065 3.1288 3.1288 3.1372 3.1372 3.8637 3.8637 3.8640 3.8640 4.0840 4.0840 4.0945 4.0945 9.2156 9.2156 9.2208 9.2208 9.6524 9.6524 9.6730 9.6730 11.4925 11.4925 k = 0.1090 0.1766 0.5359 ( 4946 PWs) bands (ev): -13.2789 -13.2789 -13.2784 -13.2784 -10.5564 -10.5564 -10.5551 -10.5551 -9.8330 -9.8330 -9.8295 -9.8295 -4.3032 -4.3032 -4.3022 -4.3022 -1.5568 -1.5568 -1.5333 -1.5333 -0.0421 -0.0421 -0.0352 -0.0352 0.1837 0.1837 0.2163 0.2163 1.3673 1.3673 1.3864 1.3864 2.1145 2.1145 2.1202 2.1202 3.1412 3.1412 3.1497 3.1497 3.8734 3.8734 3.8738 3.8738 4.0897 4.0897 4.0999 4.0999 9.1986 9.1986 9.2036 9.2036 9.6154 9.6154 9.6346 9.6346 11.5049 11.5049 k = 0.0999 0.1619 0.5359 ( 4938 PWs) bands (ev): -13.2830 -13.2830 -13.2825 -13.2825 -10.5688 -10.5688 -10.5675 -10.5675 -9.7998 -9.7998 -9.7965 -9.7965 -4.3542 -4.3542 -4.3534 -4.3534 -1.5221 -1.5221 -1.4995 -1.4995 -0.0604 -0.0604 -0.0541 -0.0541 0.1787 0.1787 0.2098 0.2098 1.3765 1.3765 1.3940 1.3940 2.1263 2.1263 2.1314 2.1314 3.1552 3.1552 3.1637 3.1637 3.8827 3.8827 3.8833 3.8833 4.0946 4.0946 4.1046 4.1046 9.1813 9.1813 9.1861 9.1861 9.5805 9.5805 9.5984 9.5984 11.5177 11.5177 k = 0.0909 0.1472 0.5359 ( 4930 PWs) bands (ev): -13.2867 -13.2867 -13.2862 -13.2862 -10.5800 -10.5800 -10.5789 -10.5789 -9.7686 -9.7686 -9.7655 -9.7655 -4.4018 -4.4018 -4.4012 -4.4012 -1.4901 -1.4901 -1.4687 -1.4687 -0.0777 -0.0777 -0.0718 -0.0718 0.1746 0.1746 0.2040 0.2040 1.3854 1.3854 1.4014 1.4014 2.1358 2.1358 2.1402 2.1402 3.1704 3.1704 3.1789 3.1789 3.8917 3.8917 3.8923 3.8923 4.0989 4.0989 4.1084 4.1084 9.1640 9.1640 9.1684 9.1684 9.5479 9.5479 9.5644 9.5644 11.5312 11.5312 k = 0.0818 0.1325 0.5359 ( 4930 PWs) bands (ev): -13.2902 -13.2902 -13.2897 -13.2897 -10.5902 -10.5902 -10.5892 -10.5892 -9.7395 -9.7395 -9.7367 -9.7367 -4.4459 -4.4459 -4.4454 -4.4454 -1.4610 -1.4610 -1.4410 -1.4410 -0.0936 -0.0936 -0.0883 -0.0883 0.1714 0.1714 0.1987 0.1987 1.3939 1.3939 1.4083 1.4083 2.1431 2.1431 2.1469 2.1469 3.1864 3.1864 3.1947 3.1947 3.9001 3.9001 3.9008 3.9008 4.1024 4.1024 4.1115 4.1115 9.1468 9.1468 9.1509 9.1509 9.5178 9.5178 9.5329 9.5329 11.5456 11.5456 k = 0.0727 0.1177 0.5359 ( 4918 PWs) bands (ev): -13.2933 -13.2933 -13.2929 -13.2929 -10.5993 -10.5993 -10.5984 -10.5984 -9.7128 -9.7128 -9.7102 -9.7102 -4.4860 -4.4860 -4.4857 -4.4857 -1.4348 -1.4348 -1.4164 -1.4164 -0.1081 -0.1081 -0.1033 -0.1033 0.1690 0.1690 0.1940 0.1940 1.4019 1.4019 1.4147 1.4147 2.1486 2.1486 2.1517 2.1517 3.2028 3.2028 3.2107 3.2107 3.9079 3.9079 3.9086 3.9086 4.1055 4.1055 4.1139 4.1139 9.1301 9.1301 9.1339 9.1339 9.4905 9.4905 9.5040 9.5040 11.5608 11.5608 k = 0.0636 0.1030 0.5359 ( 4918 PWs) bands (ev): -13.2961 -13.2961 -13.2958 -13.2958 -10.6074 -10.6074 -10.6066 -10.6066 -9.6887 -9.6887 -9.6864 -9.6864 -4.5221 -4.5221 -4.5219 -4.5219 -1.4115 -1.4115 -1.3948 -1.3948 -0.1211 -0.1211 -0.1169 -0.1169 0.1673 0.1673 0.1898 0.1898 1.4093 1.4093 1.4204 1.4204 2.1524 2.1524 2.1550 2.1550 3.2189 3.2189 3.2264 3.2264 3.9151 3.9151 3.9157 3.9157 4.1080 4.1080 4.1157 4.1157 9.1143 9.1143 9.1177 9.1177 9.4661 9.4661 9.4780 9.4780 11.5763 11.5763 k = 0.0545 0.0883 0.5359 ( 4922 PWs) bands (ev): -13.2986 -13.2986 -13.2983 -13.2983 -10.6143 -10.6143 -10.6136 -10.6136 -9.6673 -9.6673 -9.6653 -9.6653 -4.5539 -4.5539 -4.5537 -4.5537 -1.3910 -1.3910 -1.3764 -1.3764 -0.1325 -0.1325 -0.1289 -0.1289 0.1663 0.1663 0.1861 0.1861 1.4159 1.4159 1.4255 1.4255 2.1549 2.1549 2.1570 2.1570 3.2344 3.2344 3.2411 3.2411 3.9214 3.9214 3.9220 3.9220 4.1100 4.1100 4.1169 4.1169 9.0998 9.0998 9.1028 9.1028 9.4447 9.4447 9.4550 9.4550 11.5917 11.5917 k = 0.0454 0.0736 0.5359 ( 4930 PWs) bands (ev): -13.3007 -13.3007 -13.3004 -13.3004 -10.6202 -10.6202 -10.6196 -10.6196 -9.6489 -9.6489 -9.6472 -9.6472 -4.5811 -4.5811 -4.5810 -4.5810 -1.3735 -1.3735 -1.3610 -1.3610 -0.1422 -0.1422 -0.1392 -0.1392 0.1660 0.1660 0.1828 0.1828 1.4218 1.4218 1.4298 1.4298 2.1564 2.1564 2.1581 2.1581 3.2486 3.2486 3.2545 3.2545 3.9269 3.9269 3.9274 3.9274 4.1117 4.1117 4.1177 4.1177 9.0869 9.0869 9.0894 9.0894 9.4265 9.4265 9.4352 9.4352 11.6064 11.6065 k = 0.0363 0.0589 0.5359 ( 4926 PWs) bands (ev): -13.3024 -13.3024 -13.3022 -13.3022 -10.6250 -10.6250 -10.6245 -10.6245 -9.6336 -9.6336 -9.6322 -9.6322 -4.6036 -4.6036 -4.6036 -4.6036 -1.3589 -1.3589 -1.3487 -1.3487 -0.1502 -0.1502 -0.1477 -0.1477 0.1661 0.1661 0.1798 0.1798 1.4269 1.4269 1.4333 1.4333 2.1573 2.1573 2.1586 2.1586 3.2611 3.2611 3.2660 3.2660 3.9315 3.9315 3.9320 3.9320 4.1132 4.1132 4.1181 4.1181 9.0758 9.0758 9.0779 9.0779 9.4117 9.4117 9.4186 9.4186 11.6198 11.6198 k = 0.0273 0.0442 0.5359 ( 4930 PWs) bands (ev): -13.3037 -13.3037 -13.3036 -13.3036 -10.6287 -10.6287 -10.6283 -10.6283 -9.6215 -9.6215 -9.6205 -9.6205 -4.6214 -4.6214 -4.6213 -4.6213 -1.3472 -1.3472 -1.3394 -1.3394 -0.1563 -0.1563 -0.1545 -0.1545 0.1668 0.1668 0.1772 0.1772 1.4311 1.4311 1.4358 1.4358 2.1577 2.1577 2.1586 2.1586 3.2715 3.2715 3.2753 3.2753 3.9352 3.9352 3.9355 3.9355 4.1143 4.1143 4.1181 4.1181 9.0670 9.0670 9.0686 9.0686 9.4002 9.4002 9.4055 9.4055 11.6311 11.6311 k = 0.0182 0.0294 0.5359 ( 4916 PWs) bands (ev): -13.3047 -13.3047 -13.3046 -13.3046 -10.6313 -10.6313 -10.6311 -10.6311 -9.6127 -9.6127 -9.6120 -9.6120 -4.6341 -4.6341 -4.6341 -4.6341 -1.3385 -1.3385 -1.3332 -1.3332 -0.1607 -0.1607 -0.1595 -0.1595 0.1678 0.1678 0.1748 0.1748 1.4343 1.4343 1.4375 1.4375 2.1578 2.1578 2.1584 2.1584 3.2793 3.2793 3.2820 3.2820 3.9378 3.9378 3.9381 3.9381 4.1154 4.1154 4.1179 4.1179 9.0606 9.0606 9.0617 9.0617 9.3922 9.3922 9.3957 9.3957 11.6398 11.6399 k = 0.0091 0.0147 0.5359 ( 4924 PWs) bands (ev): -13.3052 -13.3052 -13.3052 -13.3052 -10.6329 -10.6329 -10.6328 -10.6328 -9.6074 -9.6074 -9.6070 -9.6070 -4.6418 -4.6418 -4.6418 -4.6418 -1.3327 -1.3327 -1.3301 -1.3301 -0.1632 -0.1632 -0.1626 -0.1626 0.1691 0.1691 0.1726 0.1726 1.4366 1.4366 1.4382 1.4382 2.1579 2.1579 2.1582 2.1582 3.2844 3.2844 3.2858 3.2858 3.9394 3.9394 3.9396 3.9396 4.1162 4.1162 4.1175 4.1175 9.0568 9.0568 9.0573 9.0573 9.3878 9.3878 9.3895 9.3895 11.6455 11.6468 k = 0.0000 0.0000 0.5359 ( 4928 PWs) bands (ev): -13.3054 -13.3054 -13.3054 -13.3054 -10.6334 -10.6334 -10.6334 -10.6334 -9.6055 -9.6055 -9.6055 -9.6055 -4.6443 -4.6443 -4.6443 -4.6443 -1.3299 -1.3299 -1.3299 -1.3299 -0.1638 -0.1638 -0.1638 -0.1638 0.1707 0.1707 0.1707 0.1707 1.4379 1.4379 1.4379 1.4379 2.1580 2.1580 2.1580 2.1580 3.2866 3.2866 3.2866 3.2866 3.9400 3.9400 3.9400 3.9400 4.1169 4.1169 4.1169 4.1169 9.0557 9.0557 9.0557 9.0557 9.3869 9.3869 9.3869 9.3869 11.6479 11.6479 k = 0.0000 0.0000 0.5359 ( 4928 PWs) bands (ev): -13.3054 -13.3054 -13.3054 -13.3054 -10.6334 -10.6334 -10.6334 -10.6334 -9.6055 -9.6055 -9.6055 -9.6055 -4.6443 -4.6443 -4.6443 -4.6443 -1.3299 -1.3299 -1.3299 -1.3299 -0.1638 -0.1638 -0.1638 -0.1638 0.1707 0.1707 0.1707 0.1707 1.4379 1.4379 1.4379 1.4379 2.1580 2.1580 2.1580 2.1580 3.2866 3.2866 3.2866 3.2866 3.9400 3.9400 3.9400 3.9400 4.1169 4.1169 4.1169 4.1169 9.0557 9.0557 9.0557 9.0557 9.3869 9.3869 9.3869 9.3869 11.6479 11.6479 k = 0.0000 0.0000 0.5186 ( 4920 PWs) bands (ev): -13.3213 -13.3213 -13.2898 -13.2898 -10.6738 -10.6738 -10.5914 -10.5914 -9.6114 -9.6114 -9.6001 -9.6001 -4.6457 -4.6457 -4.6396 -4.6396 -1.4611 -1.4611 -1.2010 -1.2010 -0.1964 -0.1964 -0.1322 -0.1322 0.1299 0.1299 0.2145 0.2145 1.4225 1.4225 1.4469 1.4469 2.1484 2.1484 2.1698 2.1698 3.2761 3.2761 3.2972 3.2972 3.9339 3.9339 3.9459 3.9459 4.1081 4.1081 4.1234 4.1234 9.0243 9.0243 9.0841 9.0841 9.3911 9.3911 9.3940 9.3940 11.6017 11.6017 k = 0.0000 0.0000 0.5013 ( 4925 PWs) bands (ev): -13.3373 -13.3373 -13.2745 -13.2745 -10.7128 -10.7128 -10.5480 -10.5480 -9.6180 -9.6180 -9.5953 -9.5953 -4.6436 -4.6436 -4.6315 -4.6315 -1.5938 -1.5938 -1.0756 -1.0756 -0.2298 -0.2298 -0.1020 -0.1020 0.0929 0.0929 0.2605 0.2605 1.4012 1.4012 1.4494 1.4494 2.1410 2.1410 2.1839 2.1839 3.2657 3.2657 3.3077 3.3077 3.9275 3.9275 3.9514 3.9514 4.0971 4.0971 4.1276 4.1276 8.9896 8.9896 9.1097 9.1097 9.4067 9.4067 9.4124 9.4124 11.5511 11.5511 k = 0.0000 0.0000 0.4840 ( 4925 PWs) bands (ev): -13.3536 -13.3536 -13.2596 -13.2596 -10.7502 -10.7502 -10.5032 -10.5032 -9.6250 -9.6250 -9.5910 -9.5910 -4.6381 -4.6381 -4.6202 -4.6202 -1.7275 -1.7275 -0.9550 -0.9550 -0.2636 -0.2636 -0.0738 -0.0738 0.0614 0.0614 0.3082 0.3082 1.3743 1.3743 1.4453 1.4453 2.1356 2.1356 2.2002 2.2002 3.2557 3.2557 3.3181 3.3181 3.9209 3.9209 3.9565 3.9565 4.0839 4.0839 4.1294 4.1294 8.9513 8.9513 9.1328 9.1328 9.4336 9.4336 9.4418 9.4418 11.4965 11.4965 k = 0.0000 0.0000 0.4667 ( 4931 PWs) bands (ev): -13.3699 -13.3699 -13.2450 -13.2450 -10.7861 -10.7861 -10.4571 -10.4571 -9.6325 -9.6325 -9.5875 -9.5875 -4.6293 -4.6293 -4.6056 -4.6056 -1.8615 -1.8615 -0.8415 -0.8415 -0.2977 -0.2977 -0.0487 -0.0487 0.0380 0.0380 0.3574 0.3574 1.3424 1.3424 1.4346 1.4346 2.1322 2.1322 2.2188 2.2188 3.2461 3.2461 3.3282 3.3282 3.9143 3.9143 3.9613 3.9613 4.0688 4.0688 4.1288 4.1288 8.9093 8.9093 9.1537 9.1537 9.4714 9.4714 9.4820 9.4820 11.4382 11.4382 k = 0.0000 0.0000 0.4495 ( 4927 PWs) bands (ev): -13.3863 -13.3863 -13.2309 -13.2309 -10.8204 -10.8204 -10.4098 -10.4098 -9.6405 -9.6405 -9.5845 -9.5845 -4.6171 -4.6171 -4.5879 -4.5879 -1.9955 -1.9955 -0.7384 -0.7384 -0.3318 -0.3318 -0.0285 -0.0285 0.0271 0.0271 0.4077 0.4077 1.3062 1.3062 1.4175 1.4175 2.1308 2.1308 2.2396 2.2396 3.2370 3.2370 3.3379 3.3379 3.9077 3.9077 3.9658 3.9658 4.0520 4.0520 4.1260 4.1260 8.8634 8.8634 9.1726 9.1726 9.5197 9.5197 9.5325 9.5325 11.3767 11.3767 k = 0.0000 0.0000 0.4322 ( 4937 PWs) bands (ev): -13.4028 -13.4028 -13.2172 -13.2172 -10.8531 -10.8531 -10.3613 -10.3613 -9.6488 -9.6488 -9.5821 -9.5821 -4.6017 -4.6017 -4.5672 -4.5672 -2.1290 -2.1290 -0.6501 -0.6501 -0.3659 -0.3659 -0.0127 -0.0127 0.0320 0.0320 0.4589 0.4589 1.2663 1.2663 1.3940 1.3940 2.1312 2.1312 2.2627 2.2627 3.2286 3.2286 3.3469 3.3469 3.9013 3.9013 3.9701 3.9701 4.0335 4.0335 4.1210 4.1210 8.8136 8.8136 9.1897 9.1897 9.5779 9.5779 9.5929 9.5929 11.3126 11.3126 k = 0.0000 0.0000 0.4149 ( 4941 PWs) bands (ev): -13.4191 -13.4191 -13.2039 -13.2039 -10.8844 -10.8844 -10.3117 -10.3117 -9.6575 -9.6575 -9.5803 -9.5803 -4.5830 -4.5830 -4.5436 -4.5436 -2.2616 -2.2616 -0.5822 -0.5822 -0.3997 -0.3997 0.0076 0.0076 0.0482 0.0482 0.5108 0.5108 1.2238 1.2238 1.3646 1.3646 2.1333 2.1333 2.2879 2.2879 3.2210 3.2210 3.3552 3.3552 3.8951 3.8951 3.9743 3.9743 4.0139 4.0139 4.1140 4.1140 8.7597 8.7597 9.2052 9.2052 9.6452 9.6452 9.6628 9.6628 11.2461 11.2461 k = 0.0000 0.0000 0.3976 ( 4941 PWs) bands (ev): -13.4354 -13.4354 -13.1911 -13.1911 -10.9140 -10.9140 -10.2612 -10.2612 -9.6664 -9.6664 -9.5790 -9.5790 -4.5613 -4.5613 -4.5174 -4.5174 -2.3931 -2.3931 -0.5384 -0.5384 -0.4328 -0.4328 0.0347 0.0347 0.0762 0.0762 0.5632 0.5632 1.1796 1.1796 1.3296 1.3296 2.1371 2.1371 2.3151 2.3151 3.2143 3.2143 3.3625 3.3625 3.8894 3.8894 3.9780 3.9780 3.9936 3.9936 4.1050 4.1050 8.7019 8.7019 9.2193 9.2193 9.7205 9.7205 9.7418 9.7418 11.1779 11.1779 k = 0.0000 0.0000 0.3803 ( 4937 PWs) bands (ev): -13.4515 -13.4515 -13.1789 -13.1789 -10.9422 -10.9422 -10.2099 -10.2099 -9.6756 -9.6756 -9.5783 -9.5783 -4.5367 -4.5367 -4.4885 -4.4885 -2.5229 -2.5229 -0.5189 -0.5189 -0.4641 -0.4641 0.0535 0.0535 0.1292 0.1292 0.6159 0.6159 1.1350 1.1350 1.2894 1.2894 2.1424 2.1424 2.3441 2.3441 3.2088 3.2088 3.3685 3.3685 3.8842 3.8842 3.9703 3.9703 3.9842 3.9842 4.0942 4.0942 8.6403 8.6403 9.2322 9.2322 9.8028 9.8028 9.8295 9.8295 11.1083 11.1083 k = 0.0000 0.0000 0.3630 ( 4941 PWs) bands (ev): -13.4674 -13.4674 -13.1671 -13.1671 -10.9688 -10.9688 -10.1579 -10.1579 -9.6849 -9.6849 -9.5780 -9.5780 -4.5092 -4.5092 -4.4573 -4.4573 -2.6510 -2.6510 -0.5221 -0.5221 -0.4901 -0.4901 0.0619 0.0619 0.2030 0.2030 0.6688 0.6688 1.0911 1.0911 1.2447 1.2447 2.1491 2.1491 2.3746 2.3746 3.2046 3.2046 3.3730 3.3730 3.8794 3.8794 3.9493 3.9493 3.9880 3.9880 4.0820 4.0820 8.5751 8.5751 9.2439 9.2439 9.8907 9.8907 9.9253 9.9253 11.0377 11.0377 k = 0.0000 0.0000 0.3457 ( 4951 PWs) bands (ev): -13.4830 -13.4830 -13.1559 -13.1559 -10.9939 -10.9939 -10.1054 -10.1054 -9.6943 -9.6943 -9.5783 -9.5783 -4.4792 -4.4792 -4.4240 -4.4240 -2.7768 -2.7768 -0.5445 -0.5445 -0.5084 -0.5084 0.0627 0.0627 0.2880 0.2880 0.7215 0.7215 1.0494 1.0494 1.1959 1.1959 2.1571 2.1571 2.4065 2.4065 3.2020 3.2020 3.3757 3.3757 3.8752 3.8752 3.9280 3.9280 3.9926 3.9926 4.0685 4.0685 8.5066 8.5066 9.2548 9.2548 9.9829 9.9829 10.0287 10.0287 10.9664 10.9664 k = 0.0000 0.0000 0.3284 ( 4951 PWs) bands (ev): -13.4983 -13.4983 -13.1453 -13.1453 -11.0176 -11.0176 -10.0527 -10.0527 -9.7038 -9.7038 -9.5789 -9.5789 -4.4467 -4.4467 -4.3888 -4.3888 -2.9000 -2.9000 -0.5739 -0.5739 -0.5264 -0.5264 0.0562 0.0562 0.3783 0.3783 0.7739 0.7739 1.0112 1.0112 1.1438 1.1438 2.1663 2.1663 2.4391 2.4391 3.2012 3.2012 3.3762 3.3762 3.8714 3.8714 3.9074 3.9074 3.9976 3.9976 4.0541 4.0541 8.4351 8.4351 9.2647 9.2647 10.0779 10.0779 10.1389 10.1389 10.8949 10.8949 k = 0.0000 0.0000 0.3112 ( 4945 PWs) bands (ev): -13.5132 -13.5132 -13.1351 -13.1351 -11.0399 -11.0399 -9.9998 -9.9998 -9.7132 -9.7132 -9.5799 -9.5799 -4.4120 -4.4120 -4.3519 -4.3519 -3.0204 -3.0204 -0.6047 -0.6047 -0.5468 -0.5468 0.0419 0.0419 0.4702 0.4702 0.8256 0.8256 0.9778 0.9778 1.0891 1.0891 2.1765 2.1765 2.4720 2.4720 3.2024 3.2024 3.3742 3.3742 3.8677 3.8677 3.8885 3.8885 4.0029 4.0029 4.0392 4.0392 8.3609 8.3609 9.2740 9.2740 10.1737 10.1737 10.2553 10.2553 10.8235 10.8235 k = 0.0000 0.0000 0.2939 ( 4947 PWs) bands (ev): -13.5276 -13.5276 -13.1256 -13.1256 -11.0607 -11.0607 -9.9472 -9.9472 -9.7225 -9.7225 -9.5812 -9.5812 -4.3755 -4.3755 -4.3136 -4.3136 -3.1375 -3.1375 -0.6354 -0.6354 -0.5688 -0.5688 0.0196 0.0196 0.5614 0.5614 0.8756 0.8756 0.9507 0.9507 1.0325 1.0325 2.1876 2.1876 2.5046 2.5046 3.2058 3.2058 3.3694 3.3694 3.8619 3.8619 3.8738 3.8738 4.0084 4.0084 4.0242 4.0242 8.2846 8.2846 9.2826 9.2826 10.2684 10.2684 10.3770 10.3770 10.7527 10.7527 k = 0.0000 0.0000 0.2766 ( 4947 PWs) bands (ev): -13.5415 -13.5415 -13.1166 -13.1166 -11.0802 -11.0802 -9.8949 -9.8949 -9.7317 -9.7317 -9.5828 -9.5828 -4.3373 -4.3373 -4.2742 -4.2742 -3.2510 -3.2510 -0.6657 -0.6657 -0.5915 -0.5915 -0.0104 -0.0104 0.6504 0.6504 0.9115 0.9115 0.9415 0.9415 0.9760 0.9760 2.1995 2.1995 2.5363 2.5363 3.2117 3.2117 3.3616 3.3616 3.8499 3.8499 3.8678 3.8678 4.0080 4.0080 4.0158 4.0158 8.2067 8.2067 9.2907 9.2907 10.3591 10.3591 10.5034 10.5034 10.6829 10.6829 k = 0.0000 0.0000 0.2593 ( 4933 PWs) bands (ev): -13.5549 -13.5549 -13.1082 -13.1082 -11.0983 -11.0983 -9.8433 -9.8433 -9.7405 -9.7405 -9.5846 -9.5846 -4.2978 -4.2978 -4.2341 -4.2341 -3.3606 -3.3606 -0.6955 -0.6955 -0.6143 -0.6143 -0.0476 -0.0476 0.7356 0.7356 0.9026 0.9026 0.9166 0.9166 0.9847 0.9847 2.2121 2.2121 2.5664 2.5664 3.2201 3.2201 3.3506 3.3506 3.8370 3.8370 3.8656 3.8656 3.9946 3.9946 4.0215 4.0215 8.1277 8.1277 9.2983 9.2983 10.4426 10.4426 10.6133 10.6133 10.6351 10.6351 k = 0.0000 0.0000 0.2420 ( 4929 PWs) bands (ev): -13.5676 -13.5676 -13.1003 -13.1003 -11.1150 -11.1150 -9.7928 -9.7928 -9.7489 -9.7489 -9.5865 -9.5865 -4.2574 -4.2574 -4.1935 -4.1935 -3.4659 -3.4659 -0.7245 -0.7245 -0.6367 -0.6367 -0.0909 -0.0909 0.8113 0.8113 0.8608 0.8608 0.8962 0.8962 1.0317 1.0317 2.2252 2.2252 2.5942 2.5942 3.2310 3.2310 3.3364 3.3364 3.8260 3.8260 3.8645 3.8645 3.9820 3.9820 4.0280 4.0280 8.0481 8.0481 9.3054 9.3054 10.5118 10.5118 10.5515 10.5515 10.7675 10.7675 k = 0.0000 0.0000 0.2247 ( 4925 PWs) bands (ev): -13.5797 -13.5797 -13.0930 -13.0930 -11.1305 -11.1305 -9.7591 -9.7591 -9.7415 -9.7415 -9.5886 -9.5886 -4.2164 -4.2164 -4.1529 -4.1529 -3.5665 -3.5665 -0.7526 -0.7526 -0.6583 -0.6583 -0.1391 -0.1391 0.7923 0.7923 0.8795 0.8795 0.9095 0.9095 1.0787 1.0787 2.2386 2.2386 2.6193 2.6193 3.2439 3.2439 3.3194 3.3194 3.8173 3.8173 3.8639 3.8639 3.9714 3.9714 4.0348 4.0348 7.9687 7.9687 9.3123 9.3123 10.4791 10.4791 10.5788 10.5788 10.9033 10.9033 k = 0.0000 0.0000 0.2074 ( 4929 PWs) bands (ev): -13.5911 -13.5911 -13.0863 -13.0863 -11.1448 -11.1448 -9.7660 -9.7660 -9.6947 -9.6947 -9.5907 -9.5907 -4.1753 -4.1753 -4.1126 -4.1126 -3.6619 -3.6619 -0.7799 -0.7799 -0.6788 -0.6788 -0.1907 -0.1907 0.7371 0.7371 0.8809 0.8809 0.9764 0.9764 1.1244 1.1244 2.2522 2.2522 2.6412 2.6412 3.2582 3.2582 3.3001 3.3001 3.8110 3.8110 3.8637 3.8637 3.9633 3.9633 4.0418 4.0418 7.8902 7.8902 9.3188 9.3188 10.4174 10.4174 10.6214 10.6214 11.0407 11.0407 k = 0.0000 0.0000 0.1902 ( 4941 PWs) bands (ev): -13.6017 -13.6017 -13.0801 -13.0801 -11.1577 -11.1577 -9.7734 -9.7734 -9.6491 -9.6491 -9.5926 -9.5926 -4.1345 -4.1345 -4.0731 -4.0731 -3.7519 -3.7519 -0.8060 -0.8060 -0.6982 -0.6982 -0.2443 -0.2443 0.6826 0.6826 0.8808 0.8808 1.0439 1.0439 1.1684 1.1684 2.2659 2.2659 2.6597 2.6597 3.2699 3.2699 3.2821 3.2821 3.8066 3.8066 3.8638 3.8638 3.9583 3.9583 4.0487 4.0487 7.8132 7.8132 9.3252 9.3252 10.3578 10.3578 10.6482 10.6482 11.1790 11.1790 k = 0.0000 0.0000 0.1729 ( 4937 PWs) bands (ev): -13.6116 -13.6116 -13.0744 -13.0744 -11.1695 -11.1695 -9.7803 -9.7803 -9.6073 -9.6073 -9.5929 -9.5929 -4.0945 -4.0945 -4.0348 -4.0348 -3.8359 -3.8359 -0.8310 -0.8310 -0.7162 -0.7162 -0.2985 -0.2985 0.6305 0.6305 0.8824 0.8824 1.1069 1.1069 1.2103 1.2103 2.2795 2.2795 2.6750 2.6750 3.2532 3.2532 3.2911 3.2911 3.8041 3.8041 3.8641 3.8641 3.9571 3.9571 4.0556 4.0556 7.7385 7.7385 9.3312 9.3312 10.3013 10.3013 10.6601 10.6601 11.3172 11.3172 k = 0.0000 0.0000 0.1556 ( 4933 PWs) bands (ev): -13.6206 -13.6206 -13.0694 -13.0694 -11.1801 -11.1801 -9.7868 -9.7868 -9.5983 -9.5983 -9.5629 -9.5629 -4.0559 -4.0559 -3.9982 -3.9982 -3.9135 -3.9135 -0.8547 -0.8547 -0.7327 -0.7327 -0.3518 -0.3518 0.5814 0.5814 0.8852 0.8852 1.1646 1.1646 1.2500 1.2500 2.2928 2.2928 2.6872 2.6872 3.2296 3.2296 3.3052 3.3052 3.8029 3.8029 3.8646 3.8646 3.9597 3.9597 4.0623 4.0623 7.6670 7.6670 9.3371 9.3371 10.2484 10.2484 10.6604 10.6604 11.4546 11.4546 k = 0.0000 0.0000 0.1383 ( 4937 PWs) bands (ev): -13.6288 -13.6288 -13.0648 -13.0648 -11.1895 -11.1895 -9.7927 -9.7927 -9.5998 -9.5998 -9.5253 -9.5253 -4.0194 -4.0194 -3.9846 -3.9846 -3.9632 -3.9632 -0.8767 -0.8767 -0.7477 -0.7477 -0.4032 -0.4032 0.5359 0.5359 0.8889 0.8889 1.2167 1.2167 1.2870 1.2870 2.3056 2.3056 2.6967 2.6967 3.2055 3.2055 3.3179 3.3179 3.8029 3.8029 3.8651 3.8651 3.9661 3.9661 4.0687 4.0687 7.5996 7.5996 9.3427 9.3427 10.1995 10.1995 10.6524 10.6524 11.5900 11.5900 k = 0.0000 0.0000 0.1210 ( 4935 PWs) bands (ev): -13.6361 -13.6361 -13.0609 -13.0609 -11.1977 -11.1977 -9.7980 -9.7980 -9.6015 -9.6015 -9.4908 -9.4908 -4.0486 -4.0486 -3.9846 -3.9846 -3.9316 -3.9316 -0.8971 -0.8971 -0.7610 -0.7610 -0.4515 -0.4515 0.4947 0.4947 0.8931 0.8931 1.2629 1.2629 1.3212 1.3212 2.3178 2.3178 2.7037 2.7037 3.1820 3.1820 3.3284 3.3284 3.8036 3.8036 3.8658 3.8658 3.9758 3.9758 4.0747 4.0747 7.5371 7.5371 9.3481 9.3481 10.1550 10.1550 10.6395 10.6395 11.7224 11.7224 k = 0.0000 0.0000 0.1037 ( 4935 PWs) bands (ev): -13.6424 -13.6424 -13.0574 -13.0574 -11.2048 -11.2048 -9.8026 -9.8026 -9.6032 -9.6032 -9.4599 -9.4599 -4.1046 -4.1046 -3.9535 -3.9535 -3.9028 -3.9028 -0.9155 -0.9155 -0.7727 -0.7727 -0.4955 -0.4955 0.4580 0.4580 0.8973 0.8973 1.3029 1.3029 1.3522 1.3522 2.3292 2.3292 2.7088 2.7088 3.1596 3.1596 3.3365 3.3365 3.8047 3.8047 3.8664 3.8664 3.9879 3.9879 4.0802 4.0802 7.4804 7.4804 9.3532 9.3532 10.1153 10.1153 10.6243 10.6243 11.8502 11.8502 k = 0.0000 0.0000 0.0864 ( 4943 PWs) bands (ev): -13.6479 -13.6479 -13.0545 -13.0545 -11.2108 -11.2108 -9.8066 -9.8066 -9.6046 -9.6046 -9.4332 -9.4332 -4.1528 -4.1528 -3.9259 -3.9259 -3.8774 -3.8774 -0.9316 -0.9316 -0.7827 -0.7827 -0.5345 -0.5345 0.4264 0.4264 0.9012 0.9012 1.3366 1.3366 1.3797 1.3797 2.3394 2.3394 2.7123 2.7123 3.1393 3.1393 3.3423 3.3423 3.8061 3.8061 3.8670 3.8670 4.0014 4.0014 4.0850 4.0850 7.4305 7.4305 9.3578 9.3578 10.0809 10.0809 10.6088 10.6088 11.9717 11.9717 k = 0.0000 0.0000 0.0691 ( 4949 PWs) bands (ev): -13.6523 -13.6523 -13.0521 -13.0521 -11.2157 -11.2157 -9.8099 -9.8099 -9.6058 -9.6058 -9.4108 -9.4108 -4.1928 -4.1928 -3.9025 -3.9025 -3.8560 -3.8560 -0.9453 -0.9453 -0.7909 -0.7909 -0.5676 -0.5676 0.4000 0.4000 0.9047 0.9047 1.3638 1.3638 1.4033 1.4033 2.3483 2.3483 2.7146 2.7146 3.1215 3.1215 3.3463 3.3463 3.8075 3.8075 3.8676 3.8676 4.0148 4.0148 4.0891 4.0891 7.3882 7.3882 9.3619 9.3619 10.0520 10.0520 10.5944 10.5944 12.0842 12.0842 k = 0.0000 0.0000 0.0519 ( 4943 PWs) bands (ev): -13.6558 -13.6558 -13.0503 -13.0503 -11.2195 -11.2195 -9.8125 -9.8125 -9.6068 -9.6068 -9.3930 -9.3930 -4.2242 -4.2242 -3.8837 -3.8837 -3.8389 -3.8389 -0.9562 -0.9562 -0.7973 -0.7973 -0.5940 -0.5940 0.3793 0.3793 0.9076 0.9076 1.3848 1.3848 1.4224 1.4224 2.3555 2.3555 2.7161 2.7161 3.1070 3.1070 3.3487 3.3487 3.8087 3.8087 3.8680 3.8680 4.0269 4.0269 4.0923 4.0923 7.3544 7.3544 9.3652 9.3652 10.0292 10.0292 10.5823 10.5823 12.1839 12.1839 k = 0.0000 0.0000 0.0346 ( 4935 PWs) bands (ev): -13.6583 -13.6583 -13.0490 -13.0490 -11.2222 -11.2222 -9.8144 -9.8144 -9.6075 -9.6075 -9.3802 -9.3802 -4.2468 -4.2468 -3.8700 -3.8700 -3.8264 -3.8264 -0.9642 -0.9642 -0.8019 -0.8019 -0.6133 -0.6133 0.3643 0.3643 0.9098 0.9098 1.3997 1.3997 1.4365 1.4365 2.3609 2.3609 2.7169 2.7169 3.0962 3.0962 3.3501 3.3501 3.8097 3.8097 3.8684 3.8684 4.0365 4.0365 4.0947 4.0947 7.3297 7.3297 9.3678 9.3678 10.0126 10.0126 10.5732 10.5732 12.2649 12.2649 k = 0.0000 0.0000 0.0173 ( 4933 PWs) bands (ev): -13.6598 -13.6598 -13.0482 -13.0482 -11.2238 -11.2238 -9.8155 -9.8155 -9.6079 -9.6079 -9.3724 -9.3724 -4.2605 -4.2605 -3.8616 -3.8616 -3.8189 -3.8189 -0.9691 -0.9691 -0.8047 -0.8047 -0.6251 -0.6251 0.3553 0.3553 0.9111 0.9111 1.4085 1.4085 1.4451 1.4451 2.3642 2.3642 2.7173 2.7173 3.0895 3.0895 3.3507 3.3507 3.8103 3.8103 3.8686 3.8686 4.0426 4.0426 4.0962 4.0962 7.3146 7.3146 9.3694 9.3694 10.0025 10.0025 10.5675 10.5675 12.3193 12.3193 k = 0.0000 0.0000 0.0000 ( 4925 PWs) bands (ev): -13.6603 -13.6603 -13.0479 -13.0479 -11.2243 -11.2243 -9.8159 -9.8159 -9.6081 -9.6081 -9.3698 -9.3698 -4.2650 -4.2650 -3.8588 -3.8588 -3.8163 -3.8163 -0.9707 -0.9707 -0.8056 -0.8056 -0.6290 -0.6290 0.3523 0.3523 0.9116 0.9116 1.4115 1.4115 1.4481 1.4481 2.3653 2.3653 2.7175 2.7175 3.0873 3.0873 3.3509 3.3509 3.8105 3.8105 3.8686 3.8686 4.0448 4.0448 4.0967 4.0967 7.3096 7.3096 9.3699 9.3699 9.9991 9.9991 10.5656 10.5656 12.3388 12.3388 k = 0.0000 0.0000 0.0000 ( 4925 PWs) bands (ev): -13.6603 -13.6603 -13.0479 -13.0479 -11.2243 -11.2243 -9.8159 -9.8159 -9.6081 -9.6081 -9.3698 -9.3698 -4.2650 -4.2650 -3.8588 -3.8588 -3.8163 -3.8163 -0.9707 -0.9707 -0.8056 -0.8056 -0.6290 -0.6290 0.3523 0.3523 0.9116 0.9116 1.4115 1.4115 1.4481 1.4481 2.3653 2.3653 2.7175 2.7175 3.0873 3.0873 3.3509 3.3509 3.8105 3.8105 3.8686 3.8686 4.0448 4.0448 4.0967 4.0967 7.3096 7.3096 9.3699 9.3699 9.9991 9.9991 10.5656 10.5656 12.3388 12.3388 k =-0.0147 0.0091 0.0000 ( 4931 PWs) bands (ev): -13.6596 -13.6596 -13.0480 -13.0479 -11.2260 -11.2259 -9.8159 -9.8156 -9.6085 -9.6078 -9.3703 -9.3690 -4.2677 -4.2671 -3.8562 -3.8546 -3.8145 -3.8137 -0.9730 -0.9698 -0.8049 -0.8026 -0.6309 -0.6289 0.3507 0.3513 0.9059 0.9095 1.4122 1.4134 1.4492 1.4497 2.3654 2.3662 2.7153 2.7170 3.0896 3.0901 3.3507 3.3510 3.8102 3.8102 3.8642 3.8647 4.0451 4.0454 4.0952 4.0954 7.3140 7.3142 9.3688 9.3721 10.0000 10.0008 10.5663 10.5690 12.3305 12.3354 k =-0.0294 0.0182 0.0000 ( 4935 PWs) bands (ev): -13.6576 -13.6576 -13.0482 -13.0479 -11.2309 -11.2307 -9.8156 -9.8151 -9.6091 -9.6077 -9.3704 -9.3679 -4.2747 -4.2737 -3.8471 -3.8440 -3.8082 -3.8067 -0.9767 -0.9704 -0.8006 -0.7961 -0.6345 -0.6305 0.3465 0.3479 0.8926 0.8998 1.4157 1.4182 1.4531 1.4540 2.3663 2.3678 2.7105 2.7140 3.0971 3.0979 3.3502 3.3509 3.8091 3.8093 3.8517 3.8527 4.0466 4.0471 4.0911 4.0915 7.3273 7.3278 9.3688 9.3754 10.0035 10.0051 10.5711 10.5764 12.3111 12.3205 k =-0.0441 0.0272 0.0000 ( 4943 PWs) bands (ev): -13.6542 -13.6541 -13.0484 -13.0481 -11.2391 -11.2388 -9.8151 -9.8143 -9.6099 -9.6078 -9.3701 -9.3664 -4.2856 -4.2841 -3.8321 -3.8277 -3.7975 -3.7952 -0.9815 -0.9725 -0.7926 -0.7862 -0.6398 -0.6338 0.3398 0.3418 0.8719 0.8826 1.4218 1.4256 1.4598 1.4610 2.3679 2.3701 2.7031 2.7082 3.1094 3.1107 3.3496 3.3506 3.8066 3.8072 3.8322 3.8333 4.0490 4.0498 4.0844 4.0850 7.3493 7.3501 9.3699 9.3798 10.0099 10.0120 10.5797 10.5874 12.2812 12.2947 k =-0.0588 0.0363 0.0000 ( 4953 PWs) bands (ev): -13.6494 -13.6493 -13.0487 -13.0483 -11.2503 -11.2499 -9.8144 -9.8133 -9.6107 -9.6080 -9.3696 -9.3647 -4.2993 -4.2976 -3.8120 -3.8065 -3.7824 -3.7794 -0.9872 -0.9760 -0.7811 -0.7731 -0.6468 -0.6387 0.3307 0.3333 0.8445 0.8585 1.4304 1.4356 1.4692 1.4706 2.3702 2.3729 2.6928 2.6997 3.1263 3.1280 3.3487 3.3501 3.7954 3.7979 3.8133 3.8137 4.0524 4.0535 4.0751 4.0759 7.3795 7.3805 9.3722 9.3852 10.0191 10.0218 10.5918 10.6018 12.2422 12.2587 k =-0.0735 0.0454 0.0000 ( 4955 PWs) bands (ev): -13.6432 -13.6431 -13.0491 -13.0485 -11.2646 -11.2641 -9.8135 -9.8122 -9.6116 -9.6083 -9.3688 -9.3628 -4.3150 -4.3133 -3.7878 -3.7814 -3.7629 -3.7593 -0.9938 -0.9806 -0.7663 -0.7570 -0.6553 -0.6450 0.3193 0.3223 0.8107 0.8279 1.4414 1.4481 1.4812 1.4827 2.3728 2.3758 2.6797 2.6882 3.1473 3.1494 3.3476 3.3495 3.7643 3.7673 3.8078 3.8083 4.0564 4.0579 4.0636 4.0648 7.4173 7.4185 9.3756 9.3916 10.0316 10.0345 10.6070 10.6189 12.1952 12.2137 k =-0.0882 0.0545 0.0000 ( 4967 PWs) bands (ev): -13.6357 -13.6356 -13.0495 -13.0488 -11.2818 -11.2812 -9.8124 -9.8108 -9.6125 -9.6086 -9.3678 -9.3608 -4.3321 -4.3303 -3.7602 -3.7530 -3.7392 -3.7351 -1.0011 -0.9863 -0.7486 -0.7379 -0.6653 -0.6526 0.3055 0.3089 0.7714 0.7915 1.4545 1.4629 1.4959 1.4972 2.3755 2.3788 2.6634 2.6736 3.1717 3.1742 3.3463 3.3487 3.7245 3.7275 3.8055 3.8059 4.0493 4.0497 4.0632 4.0639 7.4620 7.4633 9.3800 9.3989 10.0474 10.0505 10.6246 10.6383 12.1415 12.1609 k =-0.1029 0.0635 0.0000 ( 4971 PWs) bands (ev): -13.6269 -13.6268 -13.0500 -13.0492 -11.3018 -11.3011 -9.8112 -9.8094 -9.6134 -9.6090 -9.3667 -9.3587 -4.3498 -4.3481 -3.7299 -3.7222 -3.7114 -3.7069 -1.0090 -0.9928 -0.7286 -0.7162 -0.6764 -0.6606 0.2895 0.2932 0.7271 0.7499 1.4696 1.4799 1.5132 1.5142 2.3783 2.3817 2.6438 2.6557 3.1988 3.2016 3.3447 3.3478 3.6795 3.6825 3.8039 3.8043 4.0332 4.0340 4.0694 4.0704 7.5128 7.5143 9.3856 9.4072 10.0669 10.0700 10.6442 10.6592 12.0825 12.1018 k =-0.1176 0.0726 0.0000 ( 4967 PWs) bands (ev): -13.6169 -13.6167 -13.0505 -13.0497 -11.3243 -11.3236 -9.8099 -9.8079 -9.6141 -9.6092 -9.3656 -9.3566 -4.3678 -4.3662 -3.6972 -3.6892 -3.6798 -3.6749 -1.0173 -1.0000 -0.7092 -0.6961 -0.6843 -0.6665 0.2713 0.2752 0.6785 0.7038 1.4865 1.4988 1.5331 1.5334 2.3808 2.3842 2.6208 2.6343 3.2277 3.2307 3.3427 3.3465 3.6307 3.6335 3.8031 3.8035 4.0153 4.0161 4.0767 4.0779 7.5690 7.5706 9.3923 9.4164 10.0901 10.0931 10.6649 10.6811 12.0195 12.0379 k =-0.1324 0.0817 0.0000 ( 4963 PWs) bands (ev): -13.6055 -13.6054 -13.0511 -13.0502 -11.3493 -11.3485 -9.8085 -9.8063 -9.6146 -9.6093 -9.3645 -9.3547 -4.3856 -4.3842 -3.6626 -3.6541 -3.6449 -3.6393 -1.0261 -1.0078 -0.7048 -0.7010 -0.6619 -0.6595 0.2511 0.2551 0.6262 0.6539 1.5048 1.5193 1.5550 1.5554 2.3831 2.3864 2.5942 2.6092 3.2572 3.2605 3.3400 3.3449 3.5795 3.5818 3.8034 3.8038 3.9957 3.9966 4.0849 4.0862 7.6297 7.6314 9.4002 9.4265 10.1170 10.1198 10.6860 10.7032 11.9536 11.9707 k =-0.1471 0.0908 0.0000 ( 4959 PWs) bands (ev): -13.5930 -13.5928 -13.0518 -13.0507 -11.3765 -11.3757 -9.8071 -9.8048 -9.6150 -9.6092 -9.3635 -9.3529 -4.4030 -4.4018 -3.6265 -3.6172 -3.6068 -3.6004 -1.0352 -1.0159 -0.7193 -0.7081 -0.6355 -0.6320 0.2288 0.2329 0.5708 0.6006 1.5244 1.5411 1.5788 1.5801 2.3850 2.3880 2.5639 2.5804 3.2862 3.2896 3.3361 3.3426 3.5275 3.5288 3.8052 3.8056 3.9750 3.9759 4.0939 4.0953 7.6941 7.6959 9.4092 9.4375 10.1478 10.1504 10.7070 10.7248 11.8860 11.9014 k =-0.1618 0.0999 0.0000 ( 4965 PWs) bands (ev): -13.5792 -13.5791 -13.0524 -13.0514 -11.4057 -11.4049 -9.8057 -9.8033 -9.6150 -9.6088 -9.3626 -9.3514 -4.4198 -4.4188 -3.5892 -3.5793 -3.5654 -3.5581 -1.0445 -1.0242 -0.7349 -0.7205 -0.6047 -0.5994 0.2046 0.2086 0.5130 0.5447 1.5449 1.5638 1.6048 1.6070 2.3865 2.3892 2.5299 2.5479 3.3128 3.3155 3.3309 3.3391 3.4763 3.4769 3.8088 3.8092 3.9537 3.9546 4.1036 4.1051 7.7616 7.7635 9.4195 9.4495 10.1824 10.1846 10.7271 10.7454 11.8175 11.8313 k =-0.1765 0.1089 0.0000 ( 4959 PWs) bands (ev): -13.5644 -13.5642 -13.0532 -13.0520 -11.4367 -11.4359 -9.8043 -9.8018 -9.6147 -9.6082 -9.3621 -9.3502 -4.4359 -4.4351 -3.5511 -3.5406 -3.5208 -3.5128 -1.0538 -1.0327 -0.7513 -0.7347 -0.5704 -0.5642 0.1785 0.1824 0.4531 0.4865 1.5660 1.5871 1.6331 1.6361 2.3875 2.3898 2.4923 2.5116 3.3146 3.3256 3.3414 3.3435 3.4280 3.4318 3.8142 3.8145 3.9330 3.9339 4.1141 4.1155 7.8314 7.8334 9.4310 9.4626 10.2206 10.2224 10.7457 10.7644 11.7491 11.7613 k =-0.1912 0.1180 0.0000 ( 4953 PWs) bands (ev): -13.5484 -13.5482 -13.0539 -13.0527 -11.4694 -11.4686 -9.8030 -9.8005 -9.6140 -9.6071 -9.3618 -9.3493 -4.4510 -4.4504 -3.5123 -3.5014 -3.4732 -3.4646 -1.0630 -1.0411 -0.7682 -0.7499 -0.5335 -0.5268 0.1505 0.1542 0.3917 0.4267 1.5876 1.6107 1.6634 1.6671 2.3882 2.3895 2.4519 2.4720 3.2907 3.3066 3.3586 3.3629 3.3925 3.3984 3.8197 3.8200 3.9155 3.9162 4.1251 4.1266 7.9029 7.9050 9.4438 9.4768 10.2622 10.2637 10.7622 10.7811 11.6814 11.6920 k =-0.2059 0.1271 0.0000 ( 4953 PWs) bands (ev): -13.5314 -13.5313 -13.0547 -13.0534 -11.5034 -11.5026 -9.8018 -9.7992 -9.6129 -9.6057 -9.3619 -9.3490 -4.4653 -4.4648 -3.4730 -3.4619 -3.4229 -3.4137 -1.0721 -1.0494 -0.7854 -0.7657 -0.4944 -0.4874 0.1207 0.1242 0.3293 0.3656 1.6091 1.6343 1.6957 1.7000 2.3852 2.3885 2.4119 2.4292 3.2525 3.2685 3.3669 3.3771 3.3799 3.3804 3.8207 3.8208 3.9066 3.9070 4.1365 4.1381 7.9755 7.9777 9.4581 9.4922 10.3069 10.3079 10.7762 10.7953 11.6149 11.6242 k =-0.2206 0.1362 0.0000 ( 4953 PWs) bands (ev): -13.5135 -13.5133 -13.0554 -13.0542 -11.5386 -11.5378 -9.8006 -9.7981 -9.6113 -9.6039 -9.3625 -9.3491 -4.4785 -4.4782 -3.4335 -3.4223 -3.3703 -3.3606 -1.0807 -1.0573 -0.8028 -0.7818 -0.4533 -0.4460 0.0890 0.0923 0.2662 0.3036 1.6303 1.6575 1.7297 1.7346 2.3544 2.3827 2.3897 2.3955 3.2059 3.2204 3.3626 3.3696 3.3858 3.3866 3.8112 3.8114 3.9124 3.9125 4.1484 4.1500 8.0487 8.0509 9.4738 9.5088 10.3542 10.3547 10.7876 10.8067 11.5501 11.5583 k =-0.2353 0.1452 0.0000 ( 4951 PWs) bands (ev): -13.4947 -13.4946 -13.0562 -13.0550 -11.5747 -11.5740 -9.7996 -9.7971 -9.6093 -9.6016 -9.3634 -9.3497 -4.4907 -4.4905 -3.3940 -3.3826 -3.3156 -3.3054 -1.0889 -1.0646 -0.8201 -0.7981 -0.4107 -0.4030 0.0557 0.0586 0.2030 0.2412 1.6507 1.6799 1.7651 1.7706 2.3076 2.3365 2.3885 2.3932 3.1559 3.1693 3.3593 3.3643 3.3887 3.3898 3.7926 3.7929 3.9312 3.9314 4.1605 4.1621 8.1220 8.1242 9.4910 9.5268 10.4032 10.4034 10.7965 10.8153 11.4876 11.4947 k =-0.2500 0.1543 0.0000 ( 4939 PWs) bands (ev): -13.4752 -13.4750 -13.0570 -13.0557 -11.6115 -11.6108 -9.7987 -9.7962 -9.6068 -9.5988 -9.3649 -9.3509 -4.5018 -4.5018 -3.3545 -3.3431 -3.2592 -3.2486 -1.0965 -1.0714 -0.8372 -0.8143 -0.3669 -0.3587 0.0205 0.0232 0.1401 0.1787 1.6697 1.7009 1.8018 1.8078 2.2586 2.2887 2.3880 2.3922 3.1053 3.1178 3.3571 3.3610 3.3867 3.3876 3.7696 3.7699 3.9583 3.9585 4.1728 4.1744 8.1949 8.1971 9.5099 9.5463 10.4523 10.4535 10.8033 10.8218 11.4274 11.4339 k =-0.2647 0.1634 0.0000 ( 4945 PWs) bands (ev): -13.4550 -13.4548 -13.0578 -13.0566 -11.6487 -11.6480 -9.7979 -9.7955 -9.6038 -9.5956 -9.3669 -9.3527 -4.5121 -4.5119 -3.3153 -3.3039 -3.2016 -3.1906 -1.1032 -1.0773 -0.8538 -0.8302 -0.3223 -0.3132 -0.0163 -0.0139 0.0780 0.1165 1.6866 1.7197 1.8395 1.8460 2.2098 2.2413 2.3875 2.3915 3.0549 3.0669 3.3553 3.3586 3.3802 3.3807 3.7448 3.7451 3.9901 3.9905 4.1852 4.1867 8.2669 8.2691 9.5305 9.5673 10.4999 10.5025 10.8097 10.8273 11.3701 11.3759 k =-0.2794 0.1725 0.0000 ( 4945 PWs) bands (ev): -13.4342 -13.4340 -13.0586 -13.0573 -11.6861 -11.6855 -9.7972 -9.7949 -9.6004 -9.5919 -9.3694 -9.3550 -4.5213 -4.5211 -3.2766 -3.2652 -3.1430 -3.1316 -1.1089 -1.0822 -0.8698 -0.8456 -0.2779 -0.2670 -0.0549 -0.0526 0.0176 0.0549 1.7003 1.7352 1.8777 1.8849 2.1633 2.1959 2.3870 2.3910 3.0053 3.0169 3.3529 3.3563 3.3700 3.3704 3.7195 3.7197 4.0249 4.0252 4.1974 4.1989 8.3376 8.3398 9.5528 9.5899 10.5426 10.5475 10.8186 10.8346 11.3156 11.3211 k =-0.2941 0.1816 0.0000 ( 4941 PWs) bands (ev): -13.4131 -13.4129 -13.0594 -13.0581 -11.7235 -11.7228 -9.7967 -9.7944 -9.5964 -9.5877 -9.3724 -9.3579 -4.5295 -4.5292 -3.2386 -3.2273 -3.0840 -3.0723 -1.1134 -1.0860 -0.8850 -0.8604 -0.2354 -0.2208 -0.0950 -0.0925 -0.0392 -0.0057 1.7097 1.7458 1.9160 1.9243 2.1214 2.1543 2.3866 2.3906 2.9567 2.9680 3.3468 3.3508 3.3594 3.3610 3.6943 3.6945 4.0612 4.0615 4.2095 4.2110 8.4066 8.4089 9.5769 9.6143 10.5755 10.5837 10.8348 10.8480 11.2643 11.2695 k =-0.3088 0.1906 0.0000 ( 4945 PWs) bands (ev): -13.3917 -13.3915 -13.0601 -13.0589 -11.7604 -11.7599 -9.7962 -9.7941 -9.5920 -9.5831 -9.3759 -9.3614 -4.5368 -4.5364 -3.2014 -3.1904 -3.0250 -3.0130 -1.1166 -1.0884 -0.8991 -0.8743 -0.2020 -0.1778 -0.1368 -0.1309 -0.0851 -0.0646 1.7132 1.7493 1.9537 1.9637 2.0872 2.1186 2.3864 2.3906 2.9094 2.9203 3.3326 3.3351 3.3561 3.3569 3.6696 3.6697 4.0979 4.0982 4.2213 4.2227 8.4736 8.4758 9.6028 9.6403 10.5933 10.6058 10.8631 10.8729 11.2163 11.2213 k =-0.3235 0.1997 0.0000 ( 4953 PWs) bands (ev): -13.3702 -13.3700 -13.0608 -13.0597 -11.7968 -11.7962 -9.7958 -9.7938 -9.5871 -9.5781 -9.3799 -9.3654 -4.5431 -4.5428 -3.1654 -3.1547 -2.9664 -2.9544 -1.1183 -1.0893 -0.9121 -0.8872 -0.2031 -0.1845 -0.1805 -0.1313 -0.1118 -0.0945 1.7095 1.7437 1.9889 2.0025 2.0651 2.0910 2.3865 2.3910 2.8634 2.8739 3.3136 3.3154 3.3548 3.3552 3.6458 3.6459 4.1344 4.1345 4.2327 4.2340 8.5381 8.5403 9.6307 9.6682 10.5946 10.6111 10.9050 10.9116 11.1716 11.1766 k =-0.3382 0.2088 0.0000 ( 4943 PWs) bands (ev): -13.3488 -13.3486 -13.0615 -13.0604 -11.8322 -11.8317 -9.7955 -9.7936 -9.5819 -9.5727 -9.3843 -9.3700 -4.5487 -4.5483 -3.1307 -3.1205 -2.9089 -2.8968 -1.1182 -1.0886 -0.9236 -0.8990 -0.2422 -0.2270 -0.2249 -0.1801 -0.0747 -0.0648 1.6980 1.7281 2.0148 2.0389 2.0625 2.0741 2.3873 2.3920 2.8188 2.8291 3.2921 3.2935 3.3537 3.3541 3.6231 3.6232 4.1698 4.1699 4.2436 4.2448 8.5997 8.6019 9.6605 9.6980 10.5819 10.6014 10.9577 10.9621 11.1304 11.1355 k =-0.3529 0.2179 0.0000 ( 4943 PWs) bands (ev): -13.3278 -13.3276 -13.0621 -13.0611 -11.8663 -11.8659 -9.7953 -9.7936 -9.5763 -9.5670 -9.3891 -9.3750 -4.5534 -4.5530 -3.0976 -3.0879 -2.8530 -2.8410 -1.1163 -1.0861 -0.9335 -0.9095 -0.2907 -0.2722 -0.2697 -0.2332 -0.0303 -0.0247 1.6790 1.7039 2.0252 2.0552 2.0844 2.0849 2.3888 2.3938 2.7760 2.7858 3.2690 3.2701 3.3528 3.3532 3.6017 3.6018 4.2036 4.2037 4.2539 4.2550 8.6581 8.6602 9.6923 9.7296 10.5591 10.5808 11.0173 11.0197 11.0928 11.0989 k =-0.3676 0.2270 0.0000 ( 4939 PWs) bands (ev): -13.3073 -13.3072 -13.0627 -13.0618 -11.8988 -11.8984 -9.7952 -9.7936 -9.5704 -9.5610 -9.3942 -9.3804 -4.5574 -4.5570 -3.0664 -3.0573 -2.7994 -2.7877 -1.1123 -1.0817 -0.9417 -0.9187 -0.3393 -0.3181 -0.3150 -0.2843 0.0132 0.0169 1.6545 1.6740 2.0324 2.0551 2.1155 2.1179 2.3913 2.3967 2.7350 2.7444 3.2449 3.2457 3.3520 3.3524 3.5818 3.5820 4.2352 4.2354 4.2637 4.2645 8.7129 8.7149 9.7260 9.7631 10.5289 10.5523 11.0556 11.0557 11.0844 11.0923 k =-0.3824 0.2360 0.0000 ( 4929 PWs) bands (ev): -13.2878 -13.2876 -13.0633 -13.0624 -11.9294 -11.9291 -9.7951 -9.7936 -9.5642 -9.5549 -9.3995 -9.3862 -4.5608 -4.5604 -3.0374 -3.0290 -2.7487 -2.7374 -1.1062 -1.0754 -0.9480 -0.9265 -0.3859 -0.3639 -0.3603 -0.3328 0.0548 0.0574 1.6267 1.6415 2.0419 2.0584 2.1467 2.1505 2.3953 2.4009 2.6963 2.7052 3.2203 3.2209 3.3512 3.3516 3.5636 3.5638 4.2636 4.2642 4.2735 4.2738 8.7635 8.7654 9.7617 9.7985 10.4934 10.5182 11.0263 11.0292 11.1496 11.1544 k =-0.3971 0.2451 0.0000 ( 4939 PWs) bands (ev): -13.2694 -13.2693 -13.0637 -13.0630 -11.9577 -11.9574 -9.7950 -9.7937 -9.5579 -9.5488 -9.4049 -9.3922 -4.5636 -4.5633 -3.0109 -3.0033 -2.7015 -2.6909 -1.0981 -1.0673 -0.9524 -0.9328 -0.4295 -0.4089 -0.4046 -0.3785 0.0938 0.0957 1.5979 1.6087 2.0533 2.0651 2.1755 2.1801 2.4009 2.4067 2.6602 2.6685 3.1958 3.1962 3.3505 3.3509 3.5473 3.5474 4.2788 4.2801 4.2924 4.2929 8.8096 8.8114 9.7991 9.8355 10.4539 10.4798 10.9990 11.0021 11.2173 11.2218 k =-0.4118 0.2542 0.0000 ( 4939 PWs) bands (ev): -13.2525 -13.2524 -13.0641 -13.0635 -11.9833 -11.9830 -9.7949 -9.7938 -9.5516 -9.5428 -9.4102 -9.3983 -4.5659 -4.5656 -2.9870 -2.9803 -2.6587 -2.6489 -1.0880 -1.0577 -0.9548 -0.9377 -0.4698 -0.4523 -0.4466 -0.4207 0.1294 0.1309 1.5698 1.5777 2.0656 2.0738 2.2008 2.2056 2.4085 2.4142 2.6271 2.6347 3.1720 3.1722 3.3499 3.3502 3.5328 3.5330 4.2864 4.2873 4.3157 4.3160 8.8508 8.8524 9.8383 9.8742 10.4115 10.4384 10.9751 10.9781 11.2848 11.2897 k =-0.4265 0.2633 0.0000 ( 4933 PWs) bands (ev): -13.2375 -13.2374 -13.0645 -13.0639 -12.0058 -12.0056 -9.7949 -9.7939 -9.5454 -9.5372 -9.4153 -9.4044 -4.5677 -4.5674 -2.9662 -2.9605 -2.6208 -2.6122 -1.0764 -1.0472 -0.9552 -0.9412 -0.5072 -0.4936 -0.4844 -0.4587 0.1612 0.1624 1.5440 1.5495 2.0779 2.0833 2.2218 2.2265 2.4179 2.4232 2.5976 2.6044 3.1496 3.1497 3.3493 3.3496 3.5205 3.5206 4.2925 4.2933 4.3360 4.3363 8.8867 8.8881 9.8791 9.9143 10.3671 10.3949 10.9548 10.9576 11.3509 11.3568 k =-0.4412 0.2723 0.0000 ( 4941 PWs) bands (ev): -13.2246 -13.2245 -13.0648 -13.0643 -12.0248 -12.0246 -9.7948 -9.7941 -9.5395 -9.5321 -9.4198 -9.4103 -4.5691 -4.5689 -2.9487 -2.9440 -2.5885 -2.5813 -1.0636 -1.0366 -0.9539 -0.9433 -0.5419 -0.5316 -0.5156 -0.4918 0.1883 0.1892 1.5215 1.5253 2.0893 2.0927 2.2383 2.2425 2.4285 2.4330 2.5723 2.5780 3.1295 3.1295 3.3488 3.3491 3.5102 3.5104 4.2976 4.2982 4.3530 4.3532 8.9167 8.9178 9.9211 9.9554 10.3217 10.3500 10.9381 10.9405 11.4135 11.4215 k =-0.4559 0.2814 0.0000 ( 4946 PWs) bands (ev): -13.2142 -13.2141 -13.0650 -13.0646 -12.0400 -12.0399 -9.7948 -9.7942 -9.5341 -9.5280 -9.4235 -9.4157 -4.5702 -4.5700 -2.9346 -2.9310 -2.5625 -2.5568 -1.0507 -1.0274 -0.9512 -0.9441 -0.5727 -0.5650 -0.5391 -0.5193 0.2102 0.2109 1.5032 1.5057 2.0991 2.1011 2.2506 2.2539 2.4391 2.4426 2.5519 2.5563 3.1124 3.1124 3.3485 3.3487 3.5022 3.5023 4.3016 4.3020 4.3663 4.3665 8.9405 8.9414 9.9639 9.9966 10.2765 10.3048 10.9251 10.9270 11.4652 11.4793 k =-0.4706 0.2905 0.0000 ( 4946 PWs) bands (ev): -13.2065 -13.2064 -13.0651 -13.0649 -12.0511 -12.0510 -9.7947 -9.7944 -9.5295 -9.5251 -9.4260 -9.4204 -4.5709 -4.5707 -2.9242 -2.9218 -2.5432 -2.5393 -1.0387 -1.0213 -0.9478 -0.9437 -0.5971 -0.5918 -0.5548 -0.5406 0.2263 0.2268 1.4897 1.4912 2.1066 2.1077 2.2590 2.2612 2.4483 2.4507 2.5369 2.5400 3.0994 3.0994 3.3482 3.3484 3.4964 3.4965 4.3044 4.3048 4.3759 4.3761 8.9578 8.9585 10.0063 10.0360 10.2339 10.2606 10.9158 10.9171 11.4810 11.4850 k =-0.4853 0.2996 0.0000 ( 4946 PWs) bands (ev): -13.2018 -13.2018 -13.0652 -13.0650 -12.0579 -12.0578 -9.7947 -9.7945 -9.5261 -9.5237 -9.4270 -9.4241 -4.5713 -4.5712 -2.9177 -2.9165 -2.5311 -2.5291 -1.0288 -1.0193 -0.9448 -0.9430 -0.6126 -0.6098 -0.5626 -0.5553 0.2362 0.2364 1.4815 1.4822 2.1115 2.1119 2.2640 2.2651 2.4547 2.4559 2.5280 2.5296 3.0912 3.0912 3.3481 3.3481 3.4929 3.4930 4.3062 4.3064 4.3818 4.3818 8.9684 8.9687 10.0456 10.0671 10.2004 10.2205 10.9104 10.9111 11.4775 11.4780 k =-0.5000 0.3087 0.0000 ( 4952 PWs) bands (ev): -13.2002 -13.2002 -13.0651 -13.0651 -12.0601 -12.0601 -9.7946 -9.7946 -9.5241 -9.5241 -9.4263 -9.4263 -4.5714 -4.5714 -2.9151 -2.9151 -2.5263 -2.5263 -1.0220 -1.0220 -0.9431 -0.9431 -0.6170 -0.6170 -0.5627 -0.5627 0.2396 0.2396 1.4790 1.4790 2.1133 2.1133 2.2660 2.2660 2.4573 2.4573 2.5255 2.5255 3.0884 3.0884 3.3480 3.3480 3.4918 3.4918 4.3068 4.3068 4.3837 4.3837 8.9721 8.9721 10.0722 10.0722 10.1940 10.1940 10.9088 10.9088 11.4755 11.4755 k =-0.5000 0.3087 0.0000 ( 4952 PWs) bands (ev): -13.2002 -13.2002 -13.0651 -13.0651 -12.0601 -12.0601 -9.7946 -9.7946 -9.5241 -9.5241 -9.4263 -9.4263 -4.5714 -4.5714 -2.9151 -2.9151 -2.5263 -2.5263 -1.0220 -1.0220 -0.9431 -0.9431 -0.6170 -0.6170 -0.5627 -0.5627 0.2396 0.2396 1.4790 1.4790 2.1133 2.1133 2.2660 2.2660 2.4573 2.4573 2.5255 2.5255 3.0884 3.0884 3.3480 3.3480 3.4918 3.4918 4.3068 4.3068 4.3837 4.3837 8.9721 8.9721 10.0722 10.0722 10.1940 10.1940 10.9088 10.9088 11.4755 11.4755 k =-0.4909 0.3234-0.0000 ( 4948 PWs) bands (ev): -13.2004 -13.2004 -13.0653 -13.0652 -12.0592 -12.0591 -9.8042 -9.7983 -9.5223 -9.5150 -9.4263 -9.4253 -4.5711 -4.5710 -2.9233 -2.9225 -2.5169 -2.5143 -1.0676 -1.0054 -0.9588 -0.8970 -0.6192 -0.6179 -0.5704 -0.5654 0.2431 0.2451 1.4798 1.4802 2.1095 2.1119 2.2663 2.2670 2.4541 2.4592 2.5227 2.5246 3.0891 3.0913 3.3456 3.3458 3.4948 3.4957 4.3025 4.3038 4.3843 4.3863 8.9740 8.9744 10.0699 10.0716 10.1946 10.1953 10.9075 10.9090 11.4724 11.4725 k =-0.4818 0.3381-0.0000 ( 4948 PWs) bands (ev): -13.2010 -13.2009 -13.0656 -13.0656 -12.0563 -12.0561 -9.8249 -9.8146 -9.5105 -9.4972 -9.4251 -9.4231 -4.5702 -4.5699 -2.9446 -2.9434 -2.4883 -2.4835 -1.1141 -1.0458 -0.9163 -0.8485 -0.6245 -0.6219 -0.5878 -0.5780 0.2553 0.2590 1.4826 1.4835 2.1006 2.1053 2.2678 2.2693 2.4496 2.4596 2.5163 2.5200 3.0933 3.0976 3.3393 3.3395 3.5043 3.5060 4.2921 4.2941 4.3874 4.3907 8.9801 8.9809 10.0647 10.0681 10.1971 10.1984 10.9049 10.9079 11.4634 11.4635 k =-0.4727 0.3529-0.0000 ( 4952 PWs) bands (ev): -13.2020 -13.2018 -13.0662 -13.0661 -12.0513 -12.0511 -9.8536 -9.8405 -9.4914 -9.4740 -9.4228 -9.4198 -4.5686 -4.5682 -2.9745 -2.9733 -2.4450 -2.4383 -1.1598 -1.0905 -0.8682 -0.7993 -0.6328 -0.6288 -0.6139 -0.5994 0.2752 0.2802 1.4875 1.4888 2.0868 2.0936 2.2707 2.2729 2.4437 2.4584 2.5066 2.5121 3.1008 3.1069 3.3301 3.3304 3.5191 3.5214 4.2773 4.2795 4.3912 4.3954 8.9903 8.9915 10.0566 10.0617 10.2018 10.2034 10.9012 10.9055 11.4489 11.4489 k =-0.4636 0.3676-0.0000 ( 4956 PWs) bands (ev): -13.2033 -13.2031 -13.0670 -13.0669 -12.0444 -12.0441 -9.8876 -9.8730 -9.4684 -9.4480 -9.4193 -9.4153 -4.5664 -4.5658 -3.0090 -3.0081 -2.3914 -2.3831 -1.2043 -1.1346 -0.8201 -0.7503 -0.6469 -0.6442 -0.6387 -0.6279 0.3013 0.3073 1.4943 1.4961 2.0684 2.0770 2.2747 2.2777 2.4365 2.4555 2.4941 2.5012 3.1111 3.1189 3.3194 3.3196 3.5378 3.5406 4.2596 4.2616 4.3943 4.3990 9.0047 9.0064 10.0454 10.0525 10.2088 10.2104 10.8963 10.9018 11.4292 11.4295 k =-0.4545 0.3824-0.0000 ( 4960 PWs) bands (ev): -13.2051 -13.2048 -13.0679 -13.0678 -12.0356 -12.0351 -9.9252 -9.9099 -9.4438 -9.4218 -9.4142 -9.4089 -4.5636 -4.5629 -3.0454 -3.0449 -2.3303 -2.3206 -1.2470 -1.1771 -0.7743 -0.7066 -0.6800 -0.6616 -0.6587 -0.6501 0.3322 0.3387 1.5032 1.5054 2.0456 2.0555 2.2798 2.2837 2.4277 2.4506 2.4795 2.4879 3.1237 3.1330 3.3079 3.3079 3.5595 3.5628 4.2398 4.2415 4.3959 4.4009 9.0233 9.0253 10.0312 10.0404 10.2184 10.2197 10.8901 10.8966 11.4051 11.4059 k =-0.4454 0.3971-0.0000 ( 4966 PWs) bands (ev): -13.2074 -13.2070 -13.0690 -13.0689 -12.0247 -12.0242 -9.9651 -9.9496 -9.4212 -9.4060 -9.4056 -9.3909 -4.5603 -4.5594 -3.0822 -3.0821 -2.2637 -2.2525 -1.2876 -1.2177 -0.7430 -0.7331 -0.6893 -0.6763 -0.6607 -0.6476 0.3663 0.3731 1.5140 1.5167 2.0186 2.0296 2.2860 2.2907 2.4173 2.4436 2.4635 2.4730 3.1382 3.1487 3.2959 3.2960 3.5837 3.5873 4.2185 4.2197 4.3956 4.4007 9.0458 9.0484 10.0140 10.0252 10.2309 10.2315 10.8827 10.8899 11.3771 11.3784 k =-0.4363 0.4119-0.0000 ( 4962 PWs) bands (ev): -13.2101 -13.2097 -13.0702 -13.0701 -12.0119 -12.0113 -10.0067 -9.9912 -9.4078 -9.3978 -9.3872 -9.3650 -4.5563 -4.5553 -3.1189 -3.1185 -2.1928 -2.1802 -1.3258 -1.2560 -0.7792 -0.7624 -0.6981 -0.6970 -0.6463 -0.5990 0.4023 0.4091 1.5268 1.5299 1.9878 1.9996 2.2929 2.2986 2.4051 2.4342 2.4466 2.4570 3.1540 3.1656 3.2840 3.2842 3.6099 3.6138 4.1961 4.1969 4.3931 4.3983 9.0724 9.0754 9.9938 10.0070 10.2462 10.2464 10.8738 10.8815 11.3457 11.3477 k =-0.4272 0.4266-0.0000 ( 4954 PWs) bands (ev): -13.2134 -13.2129 -13.0714 -13.0713 -11.9972 -11.9964 -10.0494 -10.0341 -9.3991 -9.3894 -9.3639 -9.3395 -4.5519 -4.5508 -3.1548 -3.1539 -2.1185 -2.1043 -1.3610 -1.2915 -0.8283 -0.8049 -0.7206 -0.7168 -0.6047 -0.5499 0.4391 0.4458 1.5415 1.5451 1.9534 1.9659 2.3004 2.3072 2.3912 2.4221 2.4299 2.4406 3.1708 3.1833 3.2721 3.2726 3.6377 3.6419 4.1730 4.1732 4.3885 4.3936 9.1029 9.1064 9.9708 9.9857 10.2642 10.2654 10.8633 10.8712 11.3113 11.3142 k =-0.4181 0.4414-0.0000 ( 4954 PWs) bands (ev): -13.2172 -13.2167 -13.0727 -13.0725 -11.9805 -11.9796 -10.0928 -10.0779 -9.3905 -9.3801 -9.3410 -9.3153 -4.5471 -4.5458 -3.1896 -3.1882 -2.0416 -2.0257 -1.3928 -1.3238 -0.8789 -0.8519 -0.7473 -0.7412 -0.5576 -0.5011 0.4757 0.4823 1.5580 1.5621 1.9159 1.9288 2.3077 2.3157 2.3754 2.4078 2.4139 2.4247 3.1880 3.2013 3.2606 3.2614 3.6669 3.6712 4.1492 4.1496 4.3817 4.3866 9.1372 9.1411 9.9449 9.9613 10.2856 10.2880 10.8511 10.8589 11.2744 11.2782 k =-0.4090 0.4561-0.0000 ( 4960 PWs) bands (ev): -13.2217 -13.2211 -13.0739 -13.0737 -11.9618 -11.9608 -10.1367 -10.1222 -9.3813 -9.3701 -9.3193 -9.2928 -4.5419 -4.5405 -3.2232 -3.2213 -1.9631 -1.9451 -1.4202 -1.3522 -0.9304 -0.9006 -0.7770 -0.7694 -0.5095 -0.4525 0.5114 0.5177 1.5762 1.5809 1.8757 1.8887 2.3136 2.3231 2.3581 2.3925 2.3987 2.4106 3.2051 3.2195 3.2494 3.2510 3.6972 3.7017 4.1251 4.1260 4.3728 4.3774 9.1752 9.1797 9.9162 9.9339 10.3109 10.3145 10.8369 10.8444 11.2354 11.2402 k =-0.3999 0.4708-0.0000 ( 4950 PWs) bands (ev): -13.2268 -13.2261 -13.0750 -13.0748 -11.9413 -11.9402 -10.1808 -10.1667 -9.3714 -9.3592 -9.2991 -9.2720 -4.5363 -4.5349 -3.2557 -3.2533 -1.8843 -1.8634 -1.4420 -1.3757 -0.9822 -0.9500 -0.8095 -0.8007 -0.4612 -0.4044 0.5454 0.5515 1.5961 1.6014 1.8331 1.8464 2.3152 2.3265 2.3404 2.3748 2.3885 2.4002 3.2201 3.2358 3.2404 3.2430 3.7283 3.7329 4.1011 4.1026 4.3619 4.3663 9.2169 9.2218 9.8847 9.9034 10.3402 10.3452 10.8205 10.8275 11.1946 11.2005 k =-0.3908 0.4856-0.0000 ( 4938 PWs) bands (ev): -13.2326 -13.2319 -13.0760 -13.0758 -11.9188 -11.9176 -10.2249 -10.2113 -9.3607 -9.3476 -9.2808 -9.2531 -4.5305 -4.5290 -3.2871 -3.2843 -1.8075 -1.7824 -1.4560 -1.3929 -1.0338 -0.9995 -0.8450 -0.8352 -0.4129 -0.3566 0.5769 0.5829 1.6173 1.6234 1.7888 1.8024 2.3055 2.3229 2.3268 2.3539 2.3876 2.3961 3.2230 3.2278 3.2474 3.2560 3.7600 3.7647 4.0774 4.0795 4.3494 4.3534 9.2619 9.2674 9.8505 9.8701 10.3737 10.3801 10.8017 10.8080 11.1525 11.1596 k =-0.3817 0.5003-0.0000 ( 4938 PWs) bands (ev): -13.2390 -13.2383 -13.0769 -13.0767 -11.8944 -11.8931 -10.2688 -10.2557 -9.3493 -9.3353 -9.2642 -9.2361 -4.5245 -4.5229 -3.3177 -3.3145 -1.7373 -1.7052 -1.4577 -1.4004 -1.0846 -1.0484 -0.8834 -0.8725 -0.3649 -0.3093 0.6054 0.6113 1.6391 1.6460 1.7440 1.7581 2.2842 2.3131 2.3169 2.3303 2.3947 2.3992 3.2153 3.2178 3.2626 3.2736 3.7921 3.7967 4.0543 4.0568 4.3353 4.3389 9.3103 9.3163 9.8137 9.8338 10.4116 10.4195 10.7803 10.7858 11.1095 11.1178 k =-0.3726 0.5151-0.0000 ( 4934 PWs) bands (ev): -13.2462 -13.2454 -13.0776 -13.0774 -11.8682 -11.8667 -10.3124 -10.2998 -9.3373 -9.3223 -9.2496 -9.2211 -4.5185 -4.5168 -3.3476 -3.3440 -1.6813 -1.6381 -1.4393 -1.3920 -1.1343 -1.0964 -0.9245 -0.9128 -0.3171 -0.2623 0.6301 0.6361 1.6571 1.6636 1.7049 1.7182 2.2581 2.3003 2.3046 2.3060 2.4063 2.4076 3.2063 3.2083 3.2792 3.2908 3.8242 3.8288 4.0320 4.0349 4.3198 4.3230 9.3619 9.3685 9.7745 9.7948 10.4540 10.4634 10.7561 10.7607 11.0661 11.0756 k =-0.3635 0.5298-0.0000 ( 4934 PWs) bands (ev): -13.2540 -13.2532 -13.0781 -13.0779 -11.8401 -11.8385 -10.3556 -10.3435 -9.3247 -9.3088 -9.2368 -9.2081 -4.5124 -4.5107 -3.3769 -3.3731 -1.6464 -1.5903 -1.3946 -1.3586 -1.1823 -1.1432 -0.9683 -0.9559 -0.2695 -0.2156 0.6503 0.6566 1.6398 1.6459 1.7084 1.7089 2.2290 2.2750 2.2884 2.2945 2.4192 2.4201 3.1973 3.1993 3.2958 3.3075 3.8561 3.8607 4.0104 4.0138 4.3034 4.3061 9.4164 9.4236 9.7327 9.7531 10.5007 10.5117 10.7292 10.7327 11.0227 11.0333 k =-0.3544 0.5446-0.0000 ( 4932 PWs) bands (ev): -13.2626 -13.2618 -13.0784 -13.0782 -11.8102 -11.8085 -10.3982 -10.3866 -9.3117 -9.2948 -9.2259 -9.1971 -4.5064 -4.5046 -3.4060 -3.4018 -1.6290 -1.5642 -1.3286 -1.2980 -1.2268 -1.1884 -1.0147 -1.0017 -0.2221 -0.1691 0.6653 0.6721 1.5957 1.6060 1.7302 1.7341 2.1974 2.2440 2.2763 2.2832 2.4327 2.4352 3.1887 3.1908 3.3120 3.3237 3.8875 3.8921 3.9899 3.9935 4.2862 4.2885 9.4738 9.4815 9.6886 9.7089 10.5514 10.5643 10.7000 10.7021 10.9796 10.9914 k =-0.3453 0.5593-0.0000 ( 4934 PWs) bands (ev): -13.2718 -13.2710 -13.0785 -13.0784 -11.7785 -11.7766 -10.4402 -10.4291 -9.2982 -9.2803 -9.2169 -9.1880 -4.5005 -4.4988 -3.4350 -3.4304 -1.6200 -1.5512 -1.2873 -1.2320 -1.2310 -1.2184 -1.0635 -1.0501 -0.1748 -0.1228 0.6744 0.6819 1.5507 1.5625 1.7577 1.7631 2.1634 2.2107 2.2655 2.2730 2.4473 2.4510 3.1806 3.1830 3.3276 3.3392 3.9183 3.9227 3.9703 3.9743 4.2685 4.2703 9.5336 9.5420 9.6422 9.6621 10.6030 10.6191 10.6710 10.6715 10.9371 10.9501 k =-0.3453 0.5593-0.0000 ( 4934 PWs) bands (ev): -13.2718 -13.2710 -13.0785 -13.0784 -11.7785 -11.7766 -10.4402 -10.4291 -9.2982 -9.2803 -9.2169 -9.1880 -4.5005 -4.4988 -3.4350 -3.4304 -1.6200 -1.5512 -1.2873 -1.2320 -1.2310 -1.2184 -1.0635 -1.0501 -0.1748 -0.1228 0.6744 0.6819 1.5507 1.5625 1.7577 1.7631 2.1634 2.2107 2.2655 2.2730 2.4473 2.4510 3.1806 3.1830 3.3276 3.3392 3.9183 3.9227 3.9703 3.9743 4.2685 4.2703 9.5336 9.5420 9.6422 9.6621 10.6030 10.6191 10.6710 10.6715 10.9371 10.9501 k =-0.3453 0.5593 0.0173 ( 4934 PWs) bands (ev): -13.2716 -13.2708 -13.0785 -13.0784 -11.7775 -11.7755 -10.4397 -10.4286 -9.3010 -9.2832 -9.2180 -9.1891 -4.4970 -4.4953 -3.4359 -3.4313 -1.6164 -1.5480 -1.2871 -1.2354 -1.2311 -1.2239 -1.0652 -1.0518 -0.1685 -0.1171 0.6750 0.6825 1.5488 1.5603 1.7575 1.7629 2.1638 2.2106 2.2625 2.2697 2.4506 2.4540 3.1791 3.1816 3.3296 3.3410 3.9186 3.9231 3.9700 3.9738 4.2678 4.2696 9.5320 9.5402 9.6400 9.6599 10.6006 10.6166 10.6542 10.6543 10.9566 10.9692 k =-0.3453 0.5593 0.0346 ( 4933 PWs) bands (ev): -13.2710 -13.2702 -13.0787 -13.0786 -11.7743 -11.7724 -10.4381 -10.4270 -9.3094 -9.2918 -9.2213 -9.1926 -4.4867 -4.4852 -3.4385 -3.4340 -1.6061 -1.5388 -1.2890 -1.2456 -1.2431 -1.2246 -1.0703 -1.0569 -0.1500 -0.1003 0.6770 0.6844 1.5430 1.5535 1.7568 1.7621 2.1648 2.2101 2.2540 2.2605 2.4600 2.4626 3.1750 3.1777 3.3352 3.3463 3.9196 3.9241 3.9688 3.9726 4.2656 4.2674 9.5273 9.5349 9.6332 9.6531 10.5805 10.5905 10.6272 10.6339 11.0032 11.0157 k =-0.3453 0.5593 0.0519 ( 4939 PWs) bands (ev): -13.2701 -13.2692 -13.0790 -13.0788 -11.7690 -11.7671 -10.4354 -10.4244 -9.3234 -9.3059 -9.2268 -9.1983 -4.4695 -4.4683 -3.4428 -3.4382 -1.5902 -1.5256 -1.3015 -1.2685 -1.2508 -1.2171 -1.0785 -1.0649 -0.1210 -0.0737 0.6802 0.6875 1.5335 1.5425 1.7555 1.7608 2.1662 2.2092 2.2416 2.2471 2.4737 2.4754 3.1687 3.1717 3.3438 3.3544 3.9213 3.9256 3.9668 3.9706 4.2620 4.2638 9.5200 9.5267 9.6220 9.6419 10.5275 10.5332 10.6213 10.6330 11.0612 11.0740 k =-0.3453 0.5593 0.0691 ( 4944 PWs) bands (ev): -13.2687 -13.2679 -13.0793 -13.0792 -11.7616 -11.7597 -10.4317 -10.4207 -9.3427 -9.3255 -9.2344 -9.2062 -4.4458 -4.4450 -3.4483 -3.4437 -1.5718 -1.5130 -1.3262 -1.2959 -1.2456 -1.2073 -1.0894 -1.0753 -0.0834 -0.0391 0.6847 0.6918 1.5205 1.5276 1.7536 1.7589 2.1674 2.2073 2.2268 2.2313 2.4904 2.4912 3.1611 3.1643 3.3547 3.3648 3.9235 3.9277 3.9640 3.9677 4.2569 4.2587 9.5107 9.5162 9.6064 9.6262 10.4631 10.4679 10.6233 10.6365 11.1228 11.1360 k =-0.3453 0.5593 0.0864 ( 4952 PWs) bands (ev): -13.2669 -13.2661 -13.0798 -13.0797 -11.7520 -11.7502 -10.4268 -10.4160 -9.3671 -9.3503 -9.2441 -9.2164 -4.4157 -4.4154 -3.4549 -3.4503 -1.5579 -1.5109 -1.3504 -1.3134 -1.2352 -1.1969 -1.1019 -1.0862 -0.0396 0.0015 0.6905 0.6973 1.5044 1.5092 1.7510 1.7561 2.1678 2.2031 2.2118 2.2145 2.5089 2.5090 3.1527 3.1561 3.3673 3.3767 3.9260 3.9301 3.9605 3.9641 4.2505 4.2521 9.5004 9.5044 9.5866 9.6062 10.3965 10.4010 10.6279 10.6418 11.1843 11.1980 k =-0.3453 0.5593 0.1037 ( 4959 PWs) bands (ev): -13.2648 -13.2640 -13.0804 -13.0803 -11.7404 -11.7386 -10.4209 -10.4103 -9.3964 -9.3800 -9.2559 -9.2286 -4.3798 -4.3796 -3.4620 -3.4576 -1.5615 -1.5314 -1.3578 -1.3075 -1.2242 -1.1901 -1.1133 -1.0936 0.0086 0.0464 0.6975 0.7041 1.4854 1.4878 1.7474 1.7524 2.1664 2.1912 2.1982 2.2028 2.5278 2.5287 3.1439 3.1475 3.3809 3.3898 3.9287 3.9327 3.9562 3.9596 4.2426 4.2442 9.4900 9.4923 9.5627 9.5820 10.3306 10.3351 10.6341 10.6487 11.2437 11.2579 k =-0.3453 0.5593 0.1210 ( 4957 PWs) bands (ev): -13.2624 -13.2615 -13.0811 -13.0810 -11.7267 -11.7250 -10.4140 -10.4035 -9.4303 -9.4144 -9.2697 -9.2430 -4.3386 -4.3377 -3.4694 -3.4651 -1.5911 -1.5745 -1.3386 -1.2773 -1.2187 -1.1934 -1.1181 -1.0907 0.0595 0.0939 0.7058 0.7120 1.4637 1.4639 1.7428 1.7475 2.1617 2.1754 2.1842 2.1961 2.5477 2.5492 3.1353 3.1389 3.3951 3.4035 3.9315 3.9352 3.9512 3.9544 4.2334 4.2348 9.4802 9.4809 9.5350 9.5538 10.2672 10.2718 10.6418 10.6569 11.2998 11.3141 k =-0.3453 0.5593 0.1383 ( 4953 PWs) bands (ev): -13.2595 -13.2587 -13.0819 -13.0819 -11.7108 -11.7092 -10.4059 -10.3956 -9.4685 -9.4531 -9.2854 -9.2594 -4.2921 -4.2905 -3.4767 -3.4725 -1.6402 -1.6312 -1.2998 -1.2309 -1.2240 -1.2098 -1.1094 -1.0746 0.1116 0.1429 0.7154 0.7212 1.4374 1.4402 1.7367 1.7412 2.1523 2.1598 2.1739 2.1879 2.5682 2.5703 3.1269 3.1305 3.4097 3.4176 3.9340 3.9374 3.9455 3.9486 4.2228 4.2241 9.4712 9.4717 9.5045 9.5219 10.2071 10.2119 10.6508 10.6663 11.3513 11.3655 k =-0.3453 0.5593 0.1556 ( 4951 PWs) bands (ev): -13.2564 -13.2556 -13.0829 -13.0828 -11.6929 -11.6914 -10.3968 -10.3867 -9.5106 -9.4958 -9.3029 -9.2776 -4.2407 -4.2384 -3.4834 -3.4794 -1.6999 -1.6955 -1.2680 -1.2361 -1.2220 -1.1737 -1.0874 -1.0487 0.1638 0.1920 0.7262 0.7315 1.4092 1.4145 1.7292 1.7332 2.1400 2.1453 2.1654 2.1773 2.5892 2.5917 3.1190 3.1225 3.4245 3.4318 3.9355 3.9383 3.9396 3.9429 4.2109 4.2121 9.4601 9.4640 9.4767 9.4871 10.1513 10.1563 10.6610 10.6769 11.3970 11.4106 k =-0.3453 0.5593 0.1729 ( 4949 PWs) bands (ev): -13.2529 -13.2521 -13.0840 -13.0839 -11.6729 -11.6715 -10.3866 -10.3768 -9.5563 -9.5420 -9.3222 -9.2977 -4.1849 -4.1818 -3.4892 -3.4855 -1.7653 -1.7640 -1.2860 -1.2687 -1.1701 -1.1091 -1.0561 -1.0160 0.2153 0.2406 0.7382 0.7431 1.3796 1.3872 1.7199 1.7235 2.1276 2.1318 2.1559 2.1643 2.6106 2.6136 3.1117 3.1151 3.4391 3.4460 3.9313 3.9334 3.9383 3.9417 4.1979 4.1989 9.4290 9.4478 9.4620 9.4695 10.1001 10.1052 10.6723 10.6885 11.4354 11.4479 k =-0.3453 0.5593 0.1902 ( 4947 PWs) bands (ev): -13.2492 -13.2483 -13.0852 -13.0852 -11.6509 -11.6496 -10.3753 -10.3657 -9.6052 -9.5915 -9.3431 -9.3195 -4.1250 -4.1211 -3.4937 -3.4904 -1.8351 -1.8340 -1.3193 -1.3061 -1.1027 -1.0387 -1.0181 -0.9782 0.2654 0.2878 0.7515 0.7557 1.3486 1.3583 1.7088 1.7121 2.1158 2.1189 2.1443 2.1491 2.6326 2.6358 3.1051 3.1084 3.4534 3.4598 3.9240 3.9257 3.9386 3.9417 4.1837 4.1845 9.3914 9.4089 9.4620 9.4714 10.0536 10.0588 10.6846 10.7011 11.4649 11.4759 k =-0.3453 0.5593 0.2074 ( 4951 PWs) bands (ev): -13.2451 -13.2443 -13.0866 -13.0866 -11.6268 -11.6256 -10.3629 -10.3537 -9.6570 -9.6440 -9.3656 -9.3429 -4.0615 -4.0567 -3.4967 -3.4938 -1.9075 -1.9046 -1.3584 -1.3476 -1.0303 -0.9737 -0.9636 -0.9359 0.3134 0.3330 0.7659 0.7696 1.3165 1.3282 1.6961 1.6989 2.1043 2.1048 2.1307 2.1331 2.6550 2.6585 3.0994 3.1024 3.4673 3.4733 3.9160 3.9174 3.9380 3.9408 4.1685 4.1690 9.3525 9.3685 9.4674 9.4786 10.0119 10.0172 10.6977 10.7144 11.4835 11.4927 k =-0.3453 0.5593 0.2247 ( 4948 PWs) bands (ev): -13.2409 -13.2400 -13.0881 -13.0881 -11.6007 -11.5996 -10.3494 -10.3405 -9.7113 -9.6989 -9.3895 -9.3678 -3.9948 -3.9891 -3.4980 -3.4956 -1.9807 -1.9763 -1.4016 -1.3925 -0.9583 -0.9201 -0.8902 -0.8839 0.3590 0.3759 0.7814 0.7844 1.2834 1.2968 1.6819 1.6843 2.0864 2.0910 2.1165 2.1189 2.6779 2.6816 3.0945 3.0973 3.4807 3.4863 3.9077 3.9087 3.9360 3.9386 4.1524 4.1526 9.3139 9.3282 9.4780 9.4910 9.9746 9.9799 10.7114 10.7283 11.4882 11.4959 k =-0.3453 0.5593 0.2420 ( 4947 PWs) bands (ev): -13.2363 -13.2355 -13.0898 -13.0898 -11.5726 -11.5716 -10.3348 -10.3263 -9.7678 -9.7560 -9.4148 -9.3940 -3.9251 -3.9186 -3.4973 -3.4954 -2.0540 -2.0484 -1.4483 -1.4408 -0.8945 -0.8509 -0.8398 -0.8022 0.4017 0.4161 0.7980 0.8004 1.2495 1.2644 1.6665 1.6685 2.0619 2.0728 2.1042 2.1078 2.7014 2.7052 3.0906 3.0932 3.4934 3.4986 3.8993 3.8997 3.9326 3.9348 4.1354 4.1354 9.2766 9.2892 9.4941 9.5089 9.9413 9.9467 10.7254 10.7425 11.4757 11.4834 k =-0.3453 0.5593 0.2593 ( 4945 PWs) bands (ev): -13.2316 -13.2308 -13.0917 -13.0916 -11.5425 -11.5416 -10.3192 -10.3111 -9.8262 -9.8150 -9.4413 -9.4215 -3.8531 -3.8458 -3.4944 -3.4930 -2.1271 -2.1205 -1.4980 -1.4920 -0.8359 -0.7861 -0.7699 -0.7176 0.4414 0.4532 0.8156 0.8172 1.2148 1.2308 1.6504 1.6521 2.0319 2.0486 2.0945 2.0984 2.7255 2.7294 3.0877 3.0900 3.5055 3.5103 3.8907 3.8907 3.9275 3.9294 4.1175 4.1179 9.2418 9.2524 9.5159 9.5324 9.9116 9.9170 10.7394 10.7567 11.4435 11.4536 k =-0.3453 0.5593 0.2766 ( 4943 PWs) bands (ev): -13.2267 -13.2259 -13.0937 -13.0936 -11.5104 -11.5097 -10.3024 -10.2948 -9.8861 -9.8756 -9.4688 -9.4502 -3.7788 -3.7708 -3.4893 -3.4884 -2.1997 -2.1923 -1.5507 -1.5459 -0.7766 -0.7291 -0.6841 -0.6311 0.4776 0.4871 0.8340 0.8349 1.1795 1.1962 1.6341 1.6355 1.9976 2.0192 2.0856 2.0893 2.7503 2.7542 3.0859 3.0878 3.5167 3.5213 3.8817 3.8823 3.9207 3.9222 4.0991 4.0998 9.2103 9.2189 9.5434 9.5616 9.8848 9.8903 10.7529 10.7704 11.3948 11.4083 k =-0.3453 0.5593 0.2939 ( 4943 PWs) bands (ev): -13.2216 -13.2208 -13.0959 -13.0958 -11.4764 -11.4758 -10.2846 -10.2774 -9.9473 -9.9374 -9.4974 -9.4798 -3.7029 -3.6941 -3.4817 -3.4814 -2.2715 -2.2634 -1.6059 -1.6025 -0.7148 -0.6688 -0.5960 -0.5434 0.5103 0.5175 0.8528 0.8532 1.1438 1.1608 1.6181 1.6192 1.9594 1.9855 2.0764 2.0794 2.7756 2.7795 3.0850 3.0866 3.5272 3.5315 3.8730 3.8742 3.9121 3.9132 4.0803 4.0814 9.1831 9.1896 9.5766 9.5962 9.8603 9.8661 10.7654 10.7832 11.3362 11.3522 k =-0.3453 0.5593 0.3112 ( 4939 PWs) bands (ev): -13.2164 -13.2156 -13.0983 -13.0981 -11.4404 -11.4401 -10.2658 -10.2590 -10.0096 -10.0002 -9.5267 -9.5103 -3.6254 -3.6159 -3.4719 -3.4715 -2.3423 -2.3336 -1.6636 -1.6614 -0.6502 -0.6055 -0.5067 -0.4550 0.5393 0.5443 0.8715 0.8716 1.1082 1.1247 1.6030 1.6038 1.9179 1.9481 2.0658 2.0678 2.8013 2.8053 3.0851 3.0863 3.5369 3.5409 3.8648 3.8666 3.9017 3.9024 4.0613 4.0627 9.1609 9.1652 9.6154 9.6364 9.8375 9.8435 10.7762 10.7943 11.2728 11.2901 k =-0.3453 0.5593 0.3284 ( 4941 PWs) bands (ev): -13.2111 -13.2103 -13.1009 -13.1007 -11.4026 -11.4024 -10.2458 -10.2396 -10.0725 -10.0637 -9.5569 -9.5415 -3.5469 -3.5366 -3.4597 -3.4588 -2.4118 -2.4027 -1.7236 -1.7226 -0.5827 -0.5394 -0.4171 -0.3666 0.5643 0.5672 0.8886 0.8891 1.0741 1.0889 1.5895 1.5899 1.8735 1.9072 2.0531 2.0540 2.8275 2.8314 3.0861 3.0869 3.5459 3.5498 3.8572 3.8596 3.8896 3.8898 4.0423 4.0441 9.1442 9.1463 9.6596 9.6817 9.8155 9.8219 10.7846 10.8031 11.2080 11.2256 k =-0.3453 0.5593 0.3457 ( 4935 PWs) bands (ev): -13.2056 -13.2048 -13.1036 -13.1034 -11.3629 -11.3629 -10.2249 -10.2192 -10.1360 -10.1278 -9.5876 -9.5734 -3.4685 -3.4565 -3.4438 -3.4434 -2.4800 -2.4705 -1.7859 -1.7857 -0.5126 -0.4708 -0.3278 -0.2789 0.5852 0.5860 0.9003 0.9031 1.0449 1.0557 1.5780 1.5780 1.8265 1.8634 2.0375 2.0379 2.8537 2.8577 3.0879 3.0882 3.5542 3.5581 3.8504 3.8533 3.8756 3.8759 4.0234 4.0255 9.1334 9.1335 9.7085 9.7318 9.7938 9.8006 10.7895 10.8085 11.1443 11.1613 k =-0.3453 0.5593 0.3630 ( 4935 PWs) bands (ev): -13.2001 -13.1994 -13.1066 -13.1063 -11.3216 -11.3213 -10.2039 -10.2021 -10.1955 -10.1911 -9.6188 -9.6057 -3.4290 -3.4255 -3.3856 -3.3757 -2.5467 -2.5370 -1.8511 -1.8497 -0.4400 -0.3998 -0.2395 -0.1923 0.6005 0.6018 0.8988 0.9070 1.0284 1.0314 1.5688 1.5693 1.7776 1.8170 2.0180 2.0199 2.8799 2.8840 3.0900 3.0902 3.5621 3.5659 3.8444 3.8479 3.8599 3.8608 4.0048 4.0072 9.1269 9.1291 9.7584 9.7750 9.7778 9.7871 10.7900 10.8097 11.0837 11.0994 k =-0.3453 0.5593 0.3803 ( 4926 PWs) bands (ev): -13.1946 -13.1938 -13.1097 -13.1094 -11.2785 -11.2780 -10.2640 -10.2569 -10.1795 -10.1751 -9.6504 -9.6384 -3.4084 -3.4048 -3.3053 -3.2945 -2.6117 -2.6019 -1.9181 -1.9156 -0.3651 -0.3267 -0.1528 -0.1075 0.6105 0.6136 0.8776 0.8914 1.0255 1.0309 1.5628 1.5639 1.7273 1.7686 1.9955 1.9987 2.9057 2.9099 3.0923 3.0930 3.5697 3.5736 3.8380 3.8425 3.8443 3.8454 3.9865 3.9893 9.1270 9.1312 9.7448 9.7547 9.8220 9.8453 10.7850 10.8056 11.0281 11.0419 k =-0.3453 0.5593 0.3976 ( 4920 PWs) bands (ev): -13.1891 -13.1883 -13.1131 -13.1127 -11.2336 -11.2329 -10.3278 -10.3212 -10.1555 -10.1518 -9.6822 -9.6714 -3.3855 -3.3814 -3.2243 -3.2131 -2.6750 -2.6651 -1.9867 -1.9832 -0.2884 -0.2520 -0.0684 -0.0252 0.6156 0.6206 0.8411 0.8565 1.0372 1.0478 1.5604 1.5623 1.6762 1.7187 1.9700 1.9745 2.9308 2.9352 3.0945 3.0958 3.5772 3.5814 3.8231 3.8262 3.8375 3.8409 3.9688 3.9720 9.1336 9.1398 9.7180 9.7285 9.8835 9.9076 10.7735 10.7953 10.9789 10.9904 k =-0.3453 0.5593 0.4149 ( 4923 PWs) bands (ev): -13.1835 -13.1828 -13.1166 -13.1162 -11.1871 -11.1861 -10.3914 -10.3853 -10.1305 -10.1275 -9.7142 -9.7044 -3.3600 -3.3553 -3.1431 -3.1317 -2.7365 -2.7265 -2.0568 -2.0523 -0.2101 -0.1759 0.0130 0.0540 0.6155 0.6223 0.7960 0.8105 1.0584 1.0723 1.5618 1.5650 1.6252 1.6680 1.9415 1.9472 2.9549 2.9595 3.0965 3.0984 3.5850 3.5894 3.8043 3.8078 3.8349 3.8390 3.9518 3.9553 9.1468 9.1549 9.6877 9.6992 9.9484 9.9729 10.7550 10.7779 10.9374 10.9463 k =-0.3453 0.5593 0.4322 ( 4930 PWs) bands (ev): -13.1780 -13.1773 -13.1203 -13.1199 -11.1389 -11.1377 -10.4546 -10.4490 -10.1046 -10.1023 -9.7463 -9.7376 -3.3318 -3.3265 -3.0619 -3.0504 -2.7959 -2.7861 -2.1284 -2.1229 -0.1306 -0.0989 0.0910 0.1295 0.6099 0.6185 0.7455 0.7579 1.0845 1.1011 1.5621 1.5719 1.5801 1.6171 1.9105 1.9172 2.9776 2.9825 3.0979 3.1004 3.5934 3.5981 3.7846 3.7887 3.8341 3.8385 3.9356 3.9393 9.1663 9.1761 9.6535 9.6662 10.0160 10.0405 10.7291 10.7529 10.9044 10.9108 k =-0.3453 0.5593 0.4495 ( 4923 PWs) bands (ev): -13.1725 -13.1718 -13.1242 -13.1238 -11.0891 -11.0876 -10.5172 -10.5121 -10.0777 -10.0762 -9.7783 -9.7706 -3.3010 -3.2951 -2.9811 -2.9694 -2.8532 -2.8436 -2.2012 -2.1949 -0.0503 -0.0213 0.1647 0.2008 0.5984 0.6085 0.6913 0.7007 1.1136 1.1329 1.5208 1.5636 1.5820 1.5863 1.8773 1.8849 2.9988 3.0040 3.0983 3.1014 3.6027 3.6078 3.7645 3.7692 3.8347 3.8394 3.9202 3.9243 9.1918 9.2032 9.6156 9.6294 10.0854 10.1099 10.6960 10.7201 10.8803 10.8847 k =-0.3453 0.5593 0.4667 ( 4925 PWs) bands (ev): -13.1671 -13.1665 -13.1284 -13.1279 -11.0377 -11.0359 -10.5792 -10.5745 -10.0500 -10.0492 -9.8101 -9.8035 -3.2675 -3.2610 -2.9124 -2.9005 -2.8964 -2.8873 -2.2753 -2.2681 0.0303 0.0563 0.2338 0.2675 0.5798 0.5907 0.6353 0.6406 1.1453 1.1672 1.4721 1.5143 1.5973 1.6021 1.8425 1.8508 3.0183 3.0236 3.0974 3.1011 3.6131 3.6186 3.7444 3.7496 3.8368 3.8417 3.9059 3.9102 9.2229 9.2357 9.5741 9.5889 10.1559 10.1804 10.6557 10.6798 10.8653 10.8685 k =-0.3453 0.5593 0.4840 ( 4935 PWs) bands (ev): -13.1618 -13.1612 -13.1327 -13.1322 -10.9849 -10.9828 -10.6404 -10.6361 -10.0215 -10.0215 -9.8417 -9.8361 -3.2314 -3.2244 -2.9623 -2.9527 -2.8192 -2.8083 -2.3504 -2.3424 0.1107 0.1336 0.2975 0.3289 0.5495 0.5554 0.5829 0.5876 1.1790 1.2037 1.4245 1.4649 1.6175 1.6234 1.8068 1.8155 3.0357 3.0412 3.0949 3.0991 3.6248 3.6307 3.7245 3.7302 3.8405 3.8455 3.8926 3.8971 9.2589 9.2729 9.5297 9.5452 10.2269 10.2511 10.6086 10.6324 10.8597 10.8619 k =-0.3453 0.5593 0.5013 ( 4934 PWs) bands (ev): -13.1566 -13.1560 -13.1371 -13.1366 -10.9306 -10.9282 -10.7007 -10.6968 -9.9930 -9.9922 -9.8729 -9.8683 -3.1927 -3.1852 -3.0131 -3.0039 -2.7395 -2.7288 -2.4266 -2.4179 0.1903 0.2100 0.3546 0.3848 0.4955 0.4967 0.5407 0.5543 1.2149 1.2424 1.3786 1.4169 1.6421 1.6490 1.7709 1.7798 3.0511 3.0567 3.0904 3.0952 3.6381 3.6442 3.7051 3.7112 3.8456 3.8507 3.8806 3.8853 9.2991 9.3140 9.4832 9.4992 10.2973 10.3213 10.5552 10.5787 10.8632 10.8646 k =-0.3453 0.5593 0.5186 ( 4932 PWs) bands (ev): -13.1515 -13.1509 -13.1418 -13.1412 -10.8749 -10.8722 -10.7599 -10.7564 -9.9639 -9.9621 -9.9038 -9.9001 -3.1515 -3.1435 -3.0616 -3.0527 -2.6602 -2.6498 -2.5036 -2.4943 0.2684 0.2849 0.3931 0.4235 0.4405 0.4415 0.5035 0.5202 1.2527 1.2831 1.3347 1.3704 1.6705 1.6782 1.7357 1.7444 3.0643 3.0698 3.0839 3.0891 3.6528 3.6592 3.6865 3.6929 3.8523 3.8573 3.8698 3.8746 9.3426 9.3583 9.4358 9.4520 10.3664 10.3901 10.4964 10.5198 10.8752 10.8760 k =-0.3453 0.5593 0.5359 ( 4932 PWs) bands (ev): -13.1466 -13.1466 -13.1460 -13.1460 -10.8180 -10.8180 -10.8149 -10.8149 -9.9341 -9.9341 -9.9314 -9.9314 -3.1078 -3.1078 -3.0993 -3.0993 -2.5815 -2.5815 -2.5717 -2.5717 0.3430 0.3430 0.3578 0.3578 0.4638 0.4638 0.4813 0.4813 1.2927 1.2927 1.3258 1.3258 1.7019 1.7019 1.7103 1.7103 3.0752 3.0752 3.0806 3.0806 3.6691 3.6691 3.6754 3.6754 3.8603 3.8603 3.8653 3.8653 9.3886 9.3886 9.4046 9.4046 10.4331 10.4331 10.4566 10.4566 10.8950 10.8951 k =-0.3453 0.5593 0.5359 ( 4932 PWs) bands (ev): -13.1466 -13.1466 -13.1460 -13.1460 -10.8180 -10.8180 -10.8149 -10.8149 -9.9341 -9.9341 -9.9314 -9.9314 -3.1078 -3.1078 -3.0993 -3.0993 -2.5815 -2.5815 -2.5717 -2.5717 0.3430 0.3430 0.3578 0.3578 0.4638 0.4638 0.4813 0.4813 1.2927 1.2927 1.3258 1.3258 1.7019 1.7019 1.7103 1.7103 3.0752 3.0752 3.0806 3.0806 3.6691 3.6691 3.6754 3.6754 3.8603 3.8603 3.8653 3.8653 9.3886 9.3886 9.4046 9.4046 10.4331 10.4331 10.4566 10.4566 10.8950 10.8951 k =-0.3544 0.5446 0.5359 ( 4928 PWs) bands (ev): -13.1428 -13.1428 -13.1423 -13.1423 -10.8454 -10.8454 -10.8424 -10.8424 -9.9058 -9.9058 -9.9032 -9.9032 -3.1700 -3.1700 -3.1623 -3.1623 -2.5258 -2.5258 -2.5159 -2.5159 0.3477 0.3477 0.3626 0.3626 0.4709 0.4709 0.4869 0.4869 1.2902 1.2902 1.3220 1.3220 1.7095 1.7095 1.7177 1.7177 3.0672 3.0672 3.0725 3.0725 3.6481 3.6481 3.6542 3.6542 3.8777 3.8777 3.8826 3.8826 9.3738 9.3738 9.3897 9.3897 10.4438 10.4438 10.4661 10.4661 10.9079 10.9079 k =-0.3635 0.5298 0.5359 ( 4932 PWs) bands (ev): -13.1392 -13.1392 -13.1387 -13.1387 -10.8713 -10.8713 -10.8685 -10.8685 -9.8781 -9.8781 -9.8756 -9.8756 -3.2301 -3.2301 -3.2232 -3.2232 -2.4725 -2.4725 -2.4626 -2.4626 0.3524 0.3524 0.3672 0.3672 0.4774 0.4774 0.4919 0.4919 1.2867 1.2867 1.3170 1.3170 1.7187 1.7187 1.7268 1.7268 3.0585 3.0585 3.0636 3.0636 3.6277 3.6277 3.6337 3.6337 3.8959 3.8959 3.9006 3.9006 9.3574 9.3574 9.3730 9.3730 10.4551 10.4551 10.4760 10.4760 10.9248 10.9248 k =-0.3726 0.5151 0.5359 ( 4924 PWs) bands (ev): -13.1359 -13.1359 -13.1354 -13.1354 -10.8957 -10.8957 -10.8931 -10.8931 -9.8513 -9.8513 -9.8488 -9.8488 -3.2879 -3.2879 -3.2817 -3.2817 -2.4217 -2.4217 -2.4119 -2.4119 0.3572 0.3572 0.3720 0.3720 0.4834 0.4834 0.4964 0.4964 1.2822 1.2822 1.3108 1.3108 1.7292 1.7292 1.7371 1.7371 3.0491 3.0491 3.0541 3.0541 3.6082 3.6082 3.6139 3.6139 3.9144 3.9144 3.9190 3.9190 9.3396 9.3396 9.3548 9.3548 10.4671 10.4671 10.4868 10.4868 10.9453 10.9453 k =-0.3817 0.5003 0.5359 ( 4934 PWs) bands (ev): -13.1327 -13.1327 -13.1323 -13.1323 -10.9186 -10.9186 -10.9161 -10.9161 -9.8253 -9.8253 -9.8230 -9.8230 -3.3432 -3.3432 -3.3376 -3.3376 -2.3737 -2.3737 -2.3641 -2.3641 0.3622 0.3622 0.3767 0.3767 0.4889 0.4889 0.5005 0.5005 1.2767 1.2767 1.3036 1.3036 1.7409 1.7409 1.7486 1.7486 3.0391 3.0391 3.0440 3.0440 3.5896 3.5896 3.5951 3.5951 3.9332 3.9332 3.9376 3.9376 9.3209 9.3209 9.3355 9.3355 10.4803 10.4803 10.4986 10.4986 10.9687 10.9687 k =-0.3908 0.4856 0.5359 ( 4918 PWs) bands (ev): -13.1298 -13.1298 -13.1294 -13.1294 -10.9399 -10.9399 -10.9376 -10.9376 -9.8005 -9.8005 -9.7983 -9.7983 -3.3956 -3.3956 -3.3906 -3.3906 -2.3286 -2.3286 -2.3192 -2.3192 0.3673 0.3673 0.3816 0.3816 0.4939 0.4939 0.5042 0.5042 1.2703 1.2703 1.2955 1.2955 1.7534 1.7534 1.7608 1.7608 3.0288 3.0288 3.0335 3.0335 3.5721 3.5721 3.5773 3.5773 3.9520 3.9520 3.9561 3.9561 9.3019 9.3019 9.3158 9.3158 10.4949 10.4949 10.5117 10.5117 10.9943 10.9943 k =-0.3999 0.4708 0.5359 ( 4926 PWs) bands (ev): -13.1271 -13.1271 -13.1267 -13.1267 -10.9595 -10.9595 -10.9574 -10.9574 -9.7769 -9.7769 -9.7748 -9.7748 -3.4449 -3.4449 -3.4404 -3.4404 -2.2864 -2.2864 -2.2774 -2.2774 0.3726 0.3726 0.3865 0.3865 0.4985 0.4985 0.5074 0.5074 1.2633 1.2633 1.2866 1.2866 1.7665 1.7665 1.7735 1.7735 3.0182 3.0182 3.0227 3.0227 3.5557 3.5557 3.5606 3.5606 3.9703 3.9703 3.9742 3.9742 9.2828 9.2828 9.2959 9.2959 10.5108 10.5108 10.5262 10.5262 11.0214 11.0214 k =-0.4090 0.4561 0.5359 ( 4926 PWs) bands (ev): -13.1247 -13.1247 -13.1243 -13.1243 -10.9776 -10.9776 -10.9756 -10.9756 -9.7548 -9.7548 -9.7528 -9.7528 -3.4908 -3.4908 -3.4869 -3.4869 -2.2474 -2.2474 -2.2389 -2.2389 0.3781 0.3781 0.3915 0.3915 0.5027 0.5027 0.5103 0.5103 1.2557 1.2557 1.2771 1.2771 1.7798 1.7798 1.7864 1.7864 3.0076 3.0076 3.0118 3.0118 3.5405 3.5405 3.5451 3.5451 3.9881 3.9881 3.9917 3.9917 9.2641 9.2641 9.2763 9.2763 10.5281 10.5281 10.5421 10.5421 11.0492 11.0492 k =-0.4181 0.4414 0.5359 ( 4938 PWs) bands (ev): -13.1224 -13.1224 -13.1221 -13.1221 -10.9940 -10.9940 -10.9922 -10.9922 -9.7342 -9.7342 -9.7324 -9.7324 -3.5332 -3.5332 -3.5297 -3.5297 -2.2117 -2.2117 -2.2037 -2.2037 0.3838 0.3838 0.3964 0.3964 0.5065 0.5065 0.5129 0.5129 1.2479 1.2479 1.2673 1.2673 1.7930 1.7930 1.7992 1.7992 2.9970 2.9970 3.0009 3.0009 3.5266 3.5266 3.5309 3.5309 4.0051 4.0051 4.0083 4.0083 9.2462 9.2462 9.2574 9.2574 10.5466 10.5466 10.5591 10.5591 11.0770 11.0770 k =-0.4272 0.4266 0.5359 ( 4938 PWs) bands (ev): -13.1204 -13.1204 -13.1202 -13.1202 -11.0087 -11.0087 -11.0071 -11.0071 -9.7152 -9.7152 -9.7136 -9.7136 -3.5717 -3.5717 -3.5687 -3.5687 -2.1793 -2.1793 -2.1719 -2.1719 0.3894 0.3894 0.4012 0.4012 0.5099 0.5099 0.5152 0.5152 1.2400 1.2400 1.2573 1.2573 1.8060 1.8060 1.8117 1.8117 2.9868 2.9868 2.9904 2.9904 3.5141 3.5141 3.5181 3.5181 4.0209 4.0209 4.0239 4.0239 9.2293 9.2293 9.2395 9.2395 10.5660 10.5660 10.5771 10.5771 11.1042 11.1042 k =-0.4363 0.4119 0.5359 ( 4934 PWs) bands (ev): -13.1187 -13.1187 -13.1184 -13.1184 -11.0217 -11.0217 -11.0203 -11.0203 -9.6982 -9.6982 -9.6967 -9.6967 -3.6062 -3.6062 -3.6037 -3.6037 -2.1505 -2.1505 -2.1438 -2.1438 0.3950 0.3950 0.4058 0.4058 0.5129 0.5129 0.5172 0.5172 1.2323 1.2323 1.2475 1.2475 1.8183 1.8183 1.8234 1.8234 2.9771 2.9771 2.9803 2.9803 3.5030 3.5030 3.5066 3.5066 4.0354 4.0354 4.0381 4.0381 9.2139 9.2139 9.2229 9.2229 10.5859 10.5859 10.5956 10.5956 11.1300 11.1300 k =-0.4454 0.3971 0.5359 ( 4928 PWs) bands (ev): -13.1171 -13.1171 -13.1169 -13.1169 -11.0329 -11.0329 -11.0318 -11.0318 -9.6831 -9.6831 -9.6818 -9.6818 -3.6365 -3.6365 -3.6344 -3.6344 -2.1252 -2.1252 -2.1193 -2.1193 0.4004 0.4004 0.4101 0.4101 0.5156 0.5156 0.5190 0.5190 1.2250 1.2250 1.2382 1.2382 1.8298 1.8298 1.8342 1.8342 2.9682 2.9682 2.9710 2.9710 3.4934 3.4934 3.4965 3.4965 4.0485 4.0485 4.0508 4.0508 9.2002 9.2002 9.2080 9.2080 10.6057 10.6057 10.6140 10.6140 11.1540 11.1540 k =-0.4545 0.3824 0.5359 ( 4930 PWs) bands (ev): -13.1158 -13.1158 -13.1157 -13.1157 -11.0425 -11.0425 -11.0415 -11.0415 -9.6701 -9.6701 -9.6690 -9.6690 -3.6624 -3.6624 -3.6607 -3.6607 -2.1035 -2.1035 -2.0985 -2.0985 0.4054 0.4054 0.4138 0.4138 0.5179 0.5179 0.5205 0.5205 1.2185 1.2185 1.2295 1.2295 1.8400 1.8400 1.8438 1.8438 2.9603 2.9603 2.9627 2.9627 3.4853 3.4853 3.4879 3.4879 4.0599 4.0599 4.0618 4.0618 9.1883 9.1883 9.1949 9.1949 10.6246 10.6246 10.6315 10.6315 11.1753 11.1753 k =-0.4636 0.3676 0.5359 ( 4934 PWs) bands (ev): -13.1148 -13.1148 -13.1146 -13.1146 -11.0503 -11.0503 -11.0495 -11.0495 -9.6593 -9.6593 -9.6584 -9.6584 -3.6838 -3.6838 -3.6825 -3.6825 -2.0856 -2.0856 -2.0815 -2.0815 0.4099 0.4099 0.4169 0.4169 0.5198 0.5198 0.5217 0.5217 1.2130 1.2130 1.2218 1.2218 1.8489 1.8489 1.8520 1.8520 2.9535 2.9535 2.9554 2.9554 3.4786 3.4786 3.4808 3.4808 4.0694 4.0694 4.0709 4.0709 9.1784 9.1784 9.1837 9.1837 10.6420 10.6420 10.6475 10.6475 11.1936 11.1937 k =-0.4727 0.3529 0.5359 ( 4942 PWs) bands (ev): -13.1139 -13.1139 -13.1138 -13.1138 -11.0564 -11.0564 -11.0558 -11.0558 -9.6507 -9.6507 -9.6501 -9.6501 -3.7006 -3.7006 -3.6996 -3.6996 -2.0715 -2.0715 -2.0684 -2.0684 0.4139 0.4139 0.4193 0.4193 0.5213 0.5213 0.5226 0.5226 1.2086 1.2086 1.2153 1.2153 1.8561 1.8561 1.8585 1.8585 2.9481 2.9481 2.9495 2.9495 3.4735 3.4735 3.4752 3.4752 4.0770 4.0770 4.0781 4.0781 9.1708 9.1708 9.1748 9.1748 10.6568 10.6568 10.6610 10.6610 11.2085 11.2085 k =-0.4818 0.3381 0.5359 ( 4946 PWs) bands (ev): -13.1133 -13.1133 -13.1133 -13.1133 -11.0607 -11.0607 -11.0603 -11.0603 -9.6446 -9.6446 -9.6441 -9.6441 -3.7126 -3.7126 -3.7119 -3.7119 -2.0612 -2.0612 -2.0591 -2.0591 0.4171 0.4171 0.4207 0.4207 0.5225 0.5225 0.5233 0.5233 1.2057 1.2057 1.2102 1.2102 1.8615 1.8615 1.8631 1.8631 2.9441 2.9441 2.9451 2.9451 3.4699 3.4699 3.4710 3.4710 4.0825 4.0825 4.0833 4.0833 9.1654 9.1654 9.1681 9.1681 10.6684 10.6684 10.6711 10.6711 11.2194 11.2194 k =-0.4909 0.3234 0.5359 ( 4960 PWs) bands (ev): -13.1130 -13.1130 -13.1129 -13.1129 -11.0633 -11.0633 -11.0631 -11.0631 -9.6408 -9.6408 -9.6406 -9.6406 -3.7197 -3.7197 -3.7194 -3.7194 -2.0548 -2.0548 -2.0538 -2.0538 0.4194 0.4194 0.4213 0.4213 0.5232 0.5232 0.5236 0.5236 1.2043 1.2043 1.2066 1.2066 1.8650 1.8650 1.8658 1.8658 2.9418 2.9418 2.9423 2.9423 3.4679 3.4679 3.4685 3.4685 4.0860 4.0860 4.0863 4.0863 9.1624 9.1624 9.1638 9.1638 10.6759 10.6759 10.6773 10.6773 11.2262 11.2265 k =-0.5000 0.3087 0.5359 ( 4960 PWs) bands (ev): -13.1128 -13.1128 -13.1128 -13.1128 -11.0640 -11.0640 -11.0640 -11.0640 -9.6394 -9.6394 -9.6394 -9.6394 -3.7220 -3.7220 -3.7220 -3.7220 -2.0524 -2.0524 -2.0524 -2.0524 0.4208 0.4208 0.4208 0.4208 0.5236 0.5236 0.5236 0.5236 1.2046 1.2046 1.2046 1.2046 1.8664 1.8664 1.8664 1.8664 2.9412 2.9412 2.9412 2.9412 3.4674 3.4674 3.4674 3.4674 4.0872 4.0872 4.0872 4.0872 9.1619 9.1619 9.1619 9.1619 10.6789 10.6789 10.6789 10.6789 11.2287 11.2287 k =-0.5000 0.3087 0.5359 ( 4960 PWs) bands (ev): -13.1128 -13.1128 -13.1128 -13.1128 -11.0640 -11.0640 -11.0640 -11.0640 -9.6394 -9.6394 -9.6394 -9.6394 -3.7220 -3.7220 -3.7220 -3.7220 -2.0524 -2.0524 -2.0524 -2.0524 0.4208 0.4208 0.4208 0.4208 0.5236 0.5236 0.5236 0.5236 1.2046 1.2046 1.2046 1.2046 1.8664 1.8664 1.8664 1.8664 2.9412 2.9412 2.9412 2.9412 3.4674 3.4674 3.4674 3.4674 4.0872 4.0872 4.0872 4.0872 9.1619 9.1619 9.1619 9.1619 10.6789 10.6789 10.6789 10.6789 11.2287 11.2287 k =-0.5000 0.3087 0.5186 ( 4968 PWs) bands (ev): -13.1164 -13.1164 -13.1094 -13.1094 -11.1237 -11.1237 -11.0031 -11.0031 -9.6465 -9.6465 -9.6325 -9.6325 -3.7278 -3.7278 -3.7127 -3.7127 -2.1495 -2.1495 -1.9578 -1.9578 0.3611 0.3611 0.4724 0.4724 0.5218 0.5218 0.5293 0.5293 1.1552 1.1552 1.2558 1.2558 1.8593 1.8593 1.8717 1.8717 2.9331 2.9331 2.9467 2.9467 3.4522 3.4522 3.4850 3.4850 4.0816 4.0816 4.0940 4.0940 9.1605 9.1605 9.1705 9.1705 10.6484 10.6484 10.6996 10.6996 11.1894 11.1894 k =-0.5000 0.3087 0.5013 ( 4952 PWs) bands (ev): -13.1199 -13.1199 -13.1062 -13.1062 -11.1819 -11.1819 -10.9408 -10.9408 -9.6537 -9.6537 -9.6256 -9.6256 -3.7302 -3.7302 -3.7000 -3.7000 -2.2491 -2.2491 -1.8662 -1.8662 0.3011 0.3011 0.4834 0.4834 0.5225 0.5225 0.5644 0.5644 1.1083 1.1083 1.3083 1.3083 1.8502 1.8502 1.8755 1.8755 2.9221 2.9221 2.9500 2.9500 3.4398 3.4398 3.5044 3.5044 4.0772 4.0772 4.1019 4.1019 9.1663 9.1663 9.1865 9.1865 10.6085 10.6085 10.7110 10.7110 11.1523 11.1523 k =-0.5000 0.3087 0.4840 ( 4954 PWs) bands (ev): -13.1236 -13.1236 -13.1030 -13.1030 -11.2386 -11.2386 -10.8774 -10.8774 -9.6609 -9.6609 -9.6189 -9.6189 -3.7292 -3.7292 -3.6839 -3.6839 -2.3508 -2.3508 -1.7775 -1.7775 0.2423 0.2423 0.4684 0.4684 0.5160 0.5160 0.6214 0.6214 1.0652 1.0652 1.3618 1.3618 1.8390 1.8390 1.8783 1.8783 2.9080 2.9080 2.9518 2.9518 3.4303 3.4303 3.5249 3.5249 4.0740 4.0740 4.1107 4.1107 9.1789 9.1789 9.2097 9.2097 10.5598 10.5598 10.7136 10.7136 11.1179 11.1179 k =-0.5000 0.3087 0.4667 ( 4958 PWs) bands (ev): -13.1274 -13.1274 -13.0999 -13.0999 -11.2938 -11.2938 -10.8130 -10.8130 -9.6682 -9.6682 -9.6123 -9.6123 -3.7247 -3.7247 -3.6644 -3.6644 -2.4545 -2.4545 -1.6921 -1.6921 0.1850 0.1850 0.4456 0.4456 0.5034 0.5034 0.6779 0.6779 1.0286 1.0286 1.4160 1.4160 1.8258 1.8258 1.8804 1.8804 2.8910 2.8910 2.9526 2.9526 3.4235 3.4235 3.5459 3.5459 4.0721 4.0721 4.1204 4.1204 9.1980 9.1980 9.2401 9.2401 10.5032 10.5032 10.7086 10.7086 11.0864 11.0864 k =-0.5000 0.3087 0.4495 ( 4964 PWs) bands (ev): -13.1312 -13.1312 -13.0970 -13.0970 -11.3474 -11.3474 -10.7476 -10.7476 -9.6754 -9.6754 -9.6060 -9.6060 -3.7168 -3.7168 -3.6416 -3.6416 -2.5597 -2.5597 -1.6099 -1.6099 0.1297 0.1297 0.4177 0.4177 0.4844 0.4844 0.7256 0.7256 1.0040 1.0040 1.4708 1.4708 1.8106 1.8106 1.8825 1.8825 2.8716 2.8716 2.9530 2.9530 3.4191 3.4191 3.5666 3.5666 4.0717 4.0717 4.1309 4.1309 9.2233 9.2233 9.2775 9.2775 10.4401 10.4401 10.6973 10.6973 11.0581 11.0581 k =-0.5000 0.3087 0.4322 ( 4960 PWs) bands (ev): -13.1350 -13.1350 -13.0943 -13.0943 -11.3993 -11.3993 -10.6813 -10.6813 -9.6827 -9.6827 -9.5998 -9.5998 -3.7055 -3.7055 -3.6155 -3.6155 -2.6662 -2.6662 -1.5311 -1.5311 0.0763 0.0763 0.3851 0.3851 0.4590 0.4590 0.7536 0.7536 1.0014 1.0014 1.5258 1.5258 1.7938 1.7938 1.8852 1.8852 2.8502 2.8502 2.9533 2.9533 3.4166 3.4166 3.5865 3.5865 4.0726 4.0726 4.1422 4.1422 9.2542 9.2542 9.3216 9.3216 10.3715 10.3715 10.6807 10.6807 11.0334 11.0334 k =-0.5000 0.3087 0.4149 ( 4956 PWs) bands (ev): -13.1389 -13.1389 -13.0916 -13.0916 -11.4495 -11.4495 -10.6144 -10.6144 -9.6899 -9.6899 -9.5938 -9.5938 -3.6909 -3.6909 -3.5862 -3.5862 -2.7736 -2.7736 -1.4557 -1.4557 0.0250 0.0250 0.3481 0.3481 0.4271 0.4271 0.7549 0.7549 1.0277 1.0277 1.5809 1.5809 1.7756 1.7756 1.8889 1.8889 2.8276 2.8276 2.9539 2.9539 3.4154 3.4154 3.6050 3.6050 4.0748 4.0748 4.1541 4.1541 9.2902 9.2902 9.3720 9.3720 10.2987 10.2987 10.6602 10.6602 11.0126 11.0126 k =-0.5000 0.3087 0.3976 ( 4960 PWs) bands (ev): -13.1428 -13.1428 -13.0891 -13.0891 -11.4979 -11.4979 -10.5469 -10.5469 -9.6970 -9.6970 -9.5880 -9.5880 -3.6730 -3.6730 -3.5538 -3.5538 -2.8816 -2.8816 -1.3839 -1.3839 -0.0242 -0.0242 0.3068 0.3068 0.3886 0.3886 0.7357 0.7357 1.0762 1.0762 1.6355 1.6355 1.7567 1.7567 1.8941 1.8941 2.8043 2.8043 2.9551 2.9551 3.4151 3.4151 3.6217 3.6217 4.0785 4.0785 4.1665 4.1665 9.3306 9.3306 9.4283 9.4283 10.2227 10.2227 10.6366 10.6366 10.9959 10.9959 k =-0.5000 0.3087 0.3803 ( 4964 PWs) bands (ev): -13.1467 -13.1467 -13.0868 -13.0868 -11.5445 -11.5445 -10.4790 -10.4790 -9.7041 -9.7041 -9.5825 -9.5825 -3.6520 -3.6520 -3.5184 -3.5184 -2.9898 -2.9898 -1.3155 -1.3155 -0.0712 -0.0712 0.2612 0.2612 0.3438 0.3438 0.7062 0.7062 1.1364 1.1364 1.6877 1.6877 1.7392 1.7392 1.9011 1.9011 2.7807 2.7807 2.9569 2.9569 3.4151 3.4151 3.6362 3.6362 4.0836 4.0836 4.1793 4.1793 9.3747 9.3747 9.4901 9.4901 10.1445 10.1445 10.6108 10.6108 10.9838 10.9838 k =-0.5000 0.3087 0.3630 ( 4962 PWs) bands (ev): -13.1505 -13.1505 -13.0845 -13.0845 -11.5893 -11.5893 -10.4109 -10.4109 -9.7111 -9.7111 -9.5771 -9.5771 -3.6278 -3.6278 -3.4800 -3.4800 -3.0979 -3.0979 -1.2507 -1.2507 -0.1160 -0.1160 0.2114 0.2114 0.2930 0.2930 0.6726 0.6726 1.2019 1.2019 1.7077 1.7077 1.7530 1.7530 1.9103 1.9103 2.7574 2.7574 2.9595 2.9595 3.4151 3.4151 3.6483 3.6483 4.0901 4.0901 4.1924 4.1924 9.4219 9.4219 9.5566 9.5566 10.0649 10.0649 10.5834 10.5834 10.9767 10.9767 k =-0.5000 0.3087 0.3457 ( 4952 PWs) bands (ev): -13.1544 -13.1544 -13.0825 -13.0825 -11.6322 -11.6322 -10.3427 -10.3427 -9.7179 -9.7179 -9.5721 -9.5721 -3.6007 -3.6007 -3.4389 -3.4389 -3.2055 -3.2055 -1.1893 -1.1893 -0.1587 -0.1587 0.1577 0.1577 0.2366 0.2366 0.6375 0.6375 1.2697 1.2697 1.6904 1.6904 1.8035 1.8035 1.9216 1.9216 2.7347 2.7347 2.9628 2.9628 3.4148 3.4148 3.6577 3.6577 4.0979 4.0979 4.2058 4.2058 9.4713 9.4713 9.6275 9.6275 9.9847 9.9847 10.5552 10.5552 10.9748 10.9748 k =-0.5000 0.3087 0.3284 ( 4952 PWs) bands (ev): -13.1582 -13.1582 -13.0805 -13.0805 -11.6732 -11.6732 -10.2747 -10.2747 -9.7245 -9.7245 -9.5672 -9.5672 -3.5708 -3.5708 -3.3951 -3.3951 -3.3122 -3.3122 -1.1313 -1.1313 -0.1992 -0.1992 0.1001 0.1001 0.1752 0.1752 0.6024 0.6024 1.3381 1.3381 1.6706 1.6706 1.8560 1.8560 1.9353 1.9353 2.7129 2.7129 2.9669 2.9669 3.4140 3.4140 3.6644 3.6644 4.1069 4.1069 4.2193 4.2193 9.5221 9.5221 9.7019 9.7019 9.9044 9.9044 10.5264 10.5264 10.9784 10.9784 k =-0.5000 0.3087 0.3112 ( 4944 PWs) bands (ev): -13.1619 -13.1619 -13.0787 -13.0787 -11.7122 -11.7122 -10.2071 -10.2071 -9.7310 -9.7310 -9.5626 -9.5626 -3.5381 -3.5381 -3.4175 -3.4175 -3.3486 -3.3486 -1.0768 -1.0768 -0.2377 -0.2377 0.0388 0.0388 0.1095 0.1095 0.5680 0.5680 1.4060 1.4060 1.6509 1.6509 1.9078 1.9078 1.9513 1.9513 2.6922 2.6922 2.9717 2.9717 3.4126 3.4126 3.6683 3.6683 4.1171 4.1171 4.2328 4.2328 9.5734 9.5734 9.7793 9.7793 9.8249 9.8249 10.4976 10.4976 10.9880 10.9880 k =-0.5000 0.3087 0.2939 ( 4944 PWs) bands (ev): -13.1655 -13.1655 -13.0771 -13.0771 -11.7493 -11.7493 -10.1401 -10.1401 -9.7373 -9.7373 -9.5583 -9.5583 -3.5221 -3.5221 -3.5020 -3.5020 -3.2999 -3.2999 -1.0257 -1.0257 -0.2740 -0.2740 -0.0259 -0.0259 0.0401 0.0401 0.5346 0.5346 1.4725 1.4725 1.6321 1.6321 1.9568 1.9568 1.9711 1.9711 2.6727 2.6727 2.9772 2.9772 3.4105 3.4105 3.6694 3.6694 4.1284 4.1284 4.2463 4.2463 9.6244 9.6244 9.7465 9.7465 9.8591 9.8591 10.4691 10.4691 11.0038 11.0038 k =-0.5000 0.3087 0.2766 ( 4948 PWs) bands (ev): -13.1690 -13.1690 -13.0755 -13.0755 -11.7843 -11.7843 -10.0740 -10.0740 -9.7433 -9.7433 -9.5542 -9.5542 -3.6228 -3.6228 -3.4652 -3.4652 -3.2490 -3.2490 -0.9778 -0.9778 -0.3084 -0.3084 -0.0936 -0.0936 -0.0322 -0.0322 0.5025 0.5025 1.5362 1.5362 1.6153 1.6153 1.9863 1.9863 2.0109 2.0109 2.6544 2.6544 2.9832 2.9832 3.4077 3.4077 3.6677 3.6677 4.1405 4.1405 4.2596 4.2596 9.6650 9.6650 9.6791 9.6791 9.9404 9.9404 10.4412 10.4412 11.0258 11.0258 k =-0.5000 0.3087 0.2593 ( 4942 PWs) bands (ev): -13.1724 -13.1724 -13.0741 -13.0741 -11.8174 -11.8174 -10.0092 -10.0092 -9.7491 -9.7491 -9.5504 -9.5504 -3.7217 -3.7217 -3.4256 -3.4256 -3.1961 -3.1961 -0.9332 -0.9332 -0.3408 -0.3408 -0.1639 -0.1639 -0.1066 -0.1066 0.4720 0.4720 1.5824 1.5824 1.6151 1.6151 2.0079 2.0079 2.0585 2.0585 2.6375 2.6375 2.9897 2.9897 3.4043 3.4043 3.6633 3.6633 4.1535 4.1535 4.2726 4.2726 9.5942 9.5942 9.7235 9.7235 10.0225 10.0225 10.4141 10.4141 11.0543 11.0543 k =-0.5000 0.3087 0.2420 ( 4946 PWs) bands (ev): -13.1757 -13.1757 -13.0729 -13.0729 -11.8484 -11.8484 -9.9458 -9.9458 -9.7546 -9.7546 -9.5469 -9.5469 -3.8175 -3.8175 -3.3843 -3.3843 -3.1416 -3.1416 -0.8918 -0.8918 -0.3717 -0.3717 -0.2360 -0.2360 -0.1822 -0.1822 0.4430 0.4430 1.5757 1.5757 1.6666 1.6666 2.0303 2.0303 2.1048 2.1048 2.6219 2.6219 2.9967 2.9967 3.4003 3.4003 3.6565 3.6565 4.1671 4.1671 4.2852 4.2852 9.5222 9.5222 9.7693 9.7693 10.1049 10.1049 10.3881 10.3881 11.0890 11.0890 k =-0.5000 0.3087 0.2247 ( 4938 PWs) bands (ev): -13.1788 -13.1788 -13.0717 -13.0717 -11.8773 -11.8773 -9.8843 -9.8843 -9.7598 -9.7598 -9.5435 -9.5435 -3.9098 -3.9098 -3.3414 -3.3414 -3.0856 -3.0856 -0.8536 -0.8536 -0.4018 -0.4018 -0.3088 -0.3088 -0.2583 -0.2583 0.4158 0.4158 1.5622 1.5622 1.7233 1.7233 2.0534 2.0534 2.1492 2.1492 2.6076 2.6076 3.0041 3.0041 3.3958 3.3958 3.6474 3.6474 4.1811 4.1811 4.2975 4.2975 9.4530 9.4530 9.8124 9.8124 10.1865 10.1865 10.3636 10.3636 11.1298 11.1298 k =-0.5000 0.3087 0.2074 ( 4942 PWs) bands (ev): -13.1818 -13.1818 -13.0706 -13.0706 -11.9042 -11.9042 -9.8251 -9.8251 -9.7647 -9.7647 -9.5405 -9.5405 -3.9981 -3.9981 -3.2974 -3.2974 -3.0287 -3.0287 -0.8186 -0.8186 -0.4343 -0.4343 -0.3787 -0.3787 -0.3336 -0.3336 0.3903 0.3903 1.5491 1.5491 1.7777 1.7777 2.0770 2.0770 2.1915 2.1915 2.5946 2.5946 3.0118 3.0118 3.3910 3.3910 3.6363 3.6363 4.1954 4.1954 4.3091 4.3091 9.3872 9.3872 9.8524 9.8524 10.2659 10.2659 10.3417 10.3417 11.1763 11.1763 k =-0.5000 0.3087 0.1902 ( 4950 PWs) bands (ev): -13.1846 -13.1846 -13.0697 -13.0697 -11.9290 -11.9290 -9.7717 -9.7717 -9.7658 -9.7658 -9.5377 -9.5377 -4.0819 -4.0819 -3.2528 -3.2528 -2.9711 -2.9711 -0.7867 -0.7867 -0.4817 -0.4817 -0.4355 -0.4355 -0.4043 -0.4043 0.3667 0.3667 1.5372 1.5372 1.8289 1.8289 2.1007 2.1007 2.2313 2.2313 2.5829 2.5829 3.0198 3.0198 3.3859 3.3859 3.6234 3.6234 4.2097 4.2097 4.3202 4.3202 9.3251 9.3251 9.8890 9.8890 10.3105 10.3105 10.3543 10.3543 11.2278 11.2278 k =-0.5000 0.3087 0.1729 ( 4938 PWs) bands (ev): -13.1872 -13.1872 -13.0689 -13.0689 -11.9516 -11.9516 -9.7738 -9.7738 -9.7143 -9.7143 -9.5351 -9.5351 -4.1607 -4.1607 -3.2079 -3.2079 -2.9134 -2.9134 -0.7581 -0.7581 -0.5478 -0.5478 -0.4933 -0.4933 -0.4509 -0.4509 0.3450 0.3450 1.5264 1.5264 1.8765 1.8765 2.1243 2.1243 2.2685 2.2685 2.5724 2.5724 3.0280 3.0280 3.3807 3.3807 3.6091 3.6091 4.2238 4.2238 4.3306 4.3306 9.2671 9.2671 9.9221 9.9221 10.2941 10.2941 10.4274 10.4274 11.2836 11.2836 k =-0.5000 0.3087 0.1556 ( 4946 PWs) bands (ev): -13.1896 -13.1896 -13.0681 -13.0681 -11.9722 -11.9722 -9.7776 -9.7776 -9.6640 -9.6640 -9.5327 -9.5327 -4.2340 -4.2340 -3.1635 -3.1635 -2.8562 -2.8562 -0.7336 -0.7336 -0.6171 -0.6171 -0.5624 -0.5624 -0.4761 -0.4761 0.3252 0.3252 1.5169 1.5169 1.9202 1.9202 2.1472 2.1472 2.3029 2.3029 2.5630 2.5630 3.0363 3.0363 3.3755 3.3755 3.5938 3.5938 4.2375 4.2375 4.3402 4.3402 9.2134 9.2134 9.9517 9.9517 10.2759 10.2759 10.5011 10.5011 11.3427 11.3427 k =-0.5000 0.3087 0.1383 ( 4948 PWs) bands (ev): -13.1917 -13.1917 -13.0675 -13.0675 -11.9906 -11.9906 -9.7811 -9.7811 -9.6176 -9.6176 -9.5305 -9.5305 -4.3014 -4.3014 -3.1202 -3.1202 -2.8002 -2.8002 -0.7212 -0.7212 -0.6762 -0.6762 -0.6305 -0.6305 -0.4954 -0.4954 0.3075 0.3075 1.5086 1.5086 1.9598 1.9598 2.1692 2.1692 2.3343 2.3343 2.5548 2.5548 3.0446 3.0446 3.3705 3.3705 3.5779 3.5779 4.2505 4.2505 4.3490 4.3490 9.1645 9.1645 9.9778 9.9778 10.2590 10.2590 10.5719 10.5719 11.4041 11.4041 k =-0.5000 0.3087 0.1210 ( 4944 PWs) bands (ev): -13.1937 -13.1937 -13.0669 -13.0669 -12.0069 -12.0069 -9.7842 -9.7842 -9.5757 -9.5757 -9.5282 -9.5282 -4.3622 -4.3622 -3.0788 -3.0788 -2.7462 -2.7462 -0.7637 -0.7637 -0.6968 -0.6968 -0.6783 -0.6783 -0.5116 -0.5116 0.2917 0.2917 1.5014 1.5014 1.9952 1.9952 2.1898 2.1898 2.3624 2.3624 2.5477 2.5477 3.0527 3.0527 3.3658 3.3658 3.5618 3.5618 4.2627 4.2627 4.3569 4.3569 9.1206 9.1206 10.0005 10.0005 10.2439 10.2439 10.6389 10.6389 11.4663 11.4663 k =-0.5000 0.3087 0.1037 ( 4944 PWs) bands (ev): -13.1954 -13.1954 -13.0664 -13.0664 -12.0210 -12.0210 -9.7869 -9.7869 -9.5408 -9.5408 -9.5238 -9.5238 -4.4161 -4.4161 -3.0400 -3.0400 -2.6953 -2.6953 -0.8231 -0.8231 -0.7558 -0.7558 -0.6643 -0.6643 -0.5254 -0.5254 0.2779 0.2779 1.4952 1.4952 2.0262 2.0262 2.2086 2.2086 2.3871 2.3871 2.5417 2.5417 3.0607 3.0607 3.3614 3.3614 3.5462 3.5462 4.2737 4.2737 4.3639 4.3639 9.0820 9.0820 10.0200 10.0200 10.2307 10.2307 10.7011 10.7011 11.5274 11.5274 k =-0.5000 0.3087 0.0864 ( 4928 PWs) bands (ev): -13.1968 -13.1968 -13.0660 -13.0660 -12.0329 -12.0329 -9.7892 -9.7892 -9.5286 -9.5286 -9.5020 -9.5020 -4.4626 -4.4626 -3.0048 -3.0048 -2.6486 -2.6486 -0.8786 -0.8786 -0.8093 -0.8093 -0.6502 -0.6502 -0.5369 -0.5369 0.2663 0.2663 1.4902 1.4902 2.0526 2.0526 2.2253 2.2253 2.4083 2.4083 2.5366 2.5366 3.0681 3.0681 3.3575 3.3575 3.5314 3.5314 4.2834 4.2834 4.3699 4.3699 9.0489 9.0489 10.0362 10.0362 10.2195 10.2195 10.7578 10.7578 11.5613 11.5613 k =-0.5000 0.3087 0.0691 ( 4952 PWs) bands (ev): -13.1980 -13.1980 -13.0657 -13.0657 -12.0427 -12.0427 -9.7912 -9.7912 -9.5264 -9.5264 -9.4757 -9.4757 -4.5012 -4.5012 -2.9742 -2.9742 -2.6075 -2.6075 -0.9272 -0.9272 -0.8554 -0.8554 -0.6384 -0.6384 -0.5462 -0.5462 0.2567 0.2567 1.4861 1.4861 2.0743 2.0743 2.2395 2.2395 2.4258 2.4258 2.5326 2.5326 3.0748 3.0748 3.3542 3.3542 3.5182 3.5182 4.2916 4.2916 4.3748 4.3748 9.0214 9.0214 10.0493 10.0493 10.2103 10.2103 10.8078 10.8078 11.5365 11.5365 k =-0.5000 0.3087 0.0519 ( 4952 PWs) bands (ev): -13.1990 -13.1990 -13.0655 -13.0655 -12.0503 -12.0503 -9.7927 -9.7927 -9.5253 -9.5253 -9.4544 -9.4544 -4.5317 -4.5317 -2.9491 -2.9491 -2.5734 -2.5734 -0.9672 -0.9672 -0.8928 -0.8928 -0.6291 -0.6291 -0.5535 -0.5535 0.2492 0.2492 1.4830 1.4830 2.0913 2.0913 2.2509 2.2509 2.4396 2.4396 2.5295 2.5295 3.0804 3.0804 3.3516 3.3516 3.5072 3.5072 4.2982 4.2982 4.3787 4.3787 8.9999 8.9999 10.0594 10.0594 10.2032 10.2032 10.8496 10.8496 11.5123 11.5123 k =-0.5000 0.3087 0.0346 ( 4948 PWs) bands (ev): -13.1997 -13.1997 -13.0653 -13.0653 -12.0558 -12.0558 -9.7937 -9.7937 -9.5246 -9.5246 -9.4389 -9.4389 -4.5536 -4.5536 -2.9305 -2.9305 -2.5477 -2.5477 -0.9972 -0.9972 -0.9204 -0.9204 -0.6224 -0.6224 -0.5586 -0.5586 0.2439 0.2439 1.4808 1.4808 2.1035 2.1035 2.2592 2.2592 2.4494 2.4494 2.5273 2.5273 3.0847 3.0847 3.3496 3.3496 3.4988 3.4988 4.3030 4.3030 4.3815 4.3815 8.9845 8.9845 10.0665 10.0665 10.1981 10.1981 10.8816 10.8816 11.4928 11.4928 k =-0.5000 0.3087 0.0173 ( 4944 PWs) bands (ev): -13.2001 -13.2001 -13.0652 -13.0652 -12.0591 -12.0591 -9.7944 -9.7944 -9.5242 -9.5242 -9.4295 -9.4295 -4.5669 -4.5669 -2.9190 -2.9190 -2.5317 -2.5317 -1.0157 -1.0157 -0.9374 -0.9374 -0.6184 -0.6184 -0.5617 -0.5617 0.2407 0.2407 1.4794 1.4794 2.1108 2.1108 2.2643 2.2643 2.4554 2.4554 2.5260 2.5260 3.0875 3.0875 3.3484 3.3484 3.4936 3.4936 4.3059 4.3059 4.3832 4.3832 8.9752 8.9752 10.0708 10.0708 10.1950 10.1950 10.9019 10.9019 11.4800 11.4800 k =-0.5000 0.3087 0.0000 ( 4952 PWs) bands (ev): -13.2002 -13.2002 -13.0651 -13.0651 -12.0601 -12.0601 -9.7946 -9.7946 -9.5241 -9.5241 -9.4263 -9.4263 -4.5714 -4.5714 -2.9151 -2.9151 -2.5263 -2.5263 -1.0220 -1.0220 -0.9431 -0.9431 -0.6170 -0.6170 -0.5627 -0.5627 0.2396 0.2396 1.4790 1.4790 2.1133 2.1133 2.2660 2.2660 2.4573 2.4573 2.5255 2.5255 3.0884 3.0884 3.3480 3.3480 3.4918 3.4918 4.3068 4.3068 4.3837 4.3837 8.9721 8.9721 10.0722 10.0722 10.1940 10.1940 10.9088 10.9088 11.4755 11.4755 k = 0.0000 0.0000 0.5359 ( 4928 PWs) bands (ev): -13.3054 -13.3054 -13.3054 -13.3054 -10.6334 -10.6334 -10.6334 -10.6334 -9.6055 -9.6055 -9.6055 -9.6055 -4.6443 -4.6443 -4.6443 -4.6443 -1.3299 -1.3299 -1.3299 -1.3299 -0.1638 -0.1638 -0.1638 -0.1638 0.1707 0.1707 0.1707 0.1707 1.4379 1.4379 1.4379 1.4379 2.1580 2.1580 2.1580 2.1580 3.2866 3.2866 3.2866 3.2866 3.9400 3.9400 3.9400 3.9400 4.1169 4.1169 4.1169 4.1169 9.0557 9.0557 9.0557 9.0557 9.3869 9.3869 9.3869 9.3869 11.6479 11.6479 k =-0.0147 0.0091 0.5359 ( 4914 PWs) bands (ev): -13.3051 -13.3051 -13.3050 -13.3050 -10.6344 -10.6344 -10.6342 -10.6342 -9.6056 -9.6056 -9.6053 -9.6053 -4.6432 -4.6432 -4.6424 -4.6424 -1.3317 -1.3317 -1.3305 -1.3305 -0.1653 -0.1653 -0.1610 -0.1610 0.1711 0.1711 0.1736 0.1736 1.4359 1.4359 1.4370 1.4370 2.1586 2.1586 2.1596 2.1596 3.2852 3.2852 3.2861 3.2861 3.9327 3.9327 3.9354 3.9354 4.1198 4.1198 4.1217 4.1217 9.0564 9.0564 9.0595 9.0595 9.3861 9.3861 9.3886 9.3886 11.6477 11.6478 k =-0.0294 0.0182 0.5359 ( 4912 PWs) bands (ev): -13.3041 -13.3041 -13.3039 -13.3039 -10.6373 -10.6373 -10.6370 -10.6370 -9.6059 -9.6059 -9.6052 -9.6052 -4.6390 -4.6390 -4.6374 -4.6374 -1.3359 -1.3359 -1.3336 -1.3336 -0.1653 -0.1653 -0.1570 -0.1570 0.1745 0.1745 0.1795 0.1795 1.4313 1.4313 1.4335 1.4335 2.1611 2.1611 2.1631 2.1631 3.2819 3.2819 3.2837 3.2837 3.9152 3.9152 3.9200 3.9200 4.1292 4.1292 4.1325 4.1325 9.0615 9.0615 9.0676 9.0676 9.3864 9.3864 9.3914 9.3914 11.6489 11.6490 k =-0.0441 0.0272 0.5359 ( 4916 PWs) bands (ev): -13.3023 -13.3023 -13.3021 -13.3021 -10.6421 -10.6421 -10.6416 -10.6416 -9.6061 -9.6061 -9.6051 -9.6051 -4.6318 -4.6318 -4.6294 -4.6294 -1.3425 -1.3425 -1.3392 -1.3392 -0.1639 -0.1639 -0.1517 -0.1517 0.1812 0.1812 0.1884 0.1884 1.4239 1.4239 1.4272 1.4272 2.1656 2.1656 2.1685 2.1685 3.2768 3.2768 3.2795 3.2795 3.8906 3.8906 3.8968 3.8968 4.1422 4.1422 4.1463 4.1463 9.0705 9.0705 9.0797 9.0797 9.3880 9.3880 9.3955 9.3955 11.6513 11.6513 k =-0.0588 0.0363 0.5359 ( 4916 PWs) bands (ev): -13.2998 -13.2998 -13.2995 -13.2995 -10.6486 -10.6486 -10.6480 -10.6480 -9.6064 -9.6064 -9.6051 -9.6051 -4.6216 -4.6216 -4.6183 -4.6183 -1.3515 -1.3515 -1.3472 -1.3472 -0.1608 -0.1608 -0.1451 -0.1451 0.1909 0.1909 0.2001 0.2001 1.4140 1.4140 1.4184 1.4184 2.1716 2.1716 2.1756 2.1756 3.2699 3.2699 3.2735 3.2735 3.8612 3.8612 3.8685 3.8685 4.1565 4.1565 4.1610 4.1610 9.0831 9.0831 9.0954 9.0954 9.3912 9.3912 9.4013 9.4013 11.6548 11.6548 k =-0.0735 0.0454 0.5359 ( 4916 PWs) bands (ev): -13.2967 -13.2967 -13.2963 -13.2963 -10.6570 -10.6570 -10.6562 -10.6562 -9.6068 -9.6068 -9.6051 -9.6051 -4.6084 -4.6084 -4.6043 -4.6043 -1.3627 -1.3627 -1.3576 -1.3576 -0.1561 -0.1561 -0.1372 -0.1372 0.2037 0.2037 0.2146 0.2146 1.4015 1.4015 1.4072 1.4072 2.1790 2.1790 2.1840 2.1840 3.2613 3.2613 3.2658 3.2658 3.8289 3.8289 3.8370 3.8370 4.1705 4.1705 4.1752 4.1752 9.0983 9.0983 9.1136 9.1136 9.3967 9.3967 9.4094 9.4094 11.6590 11.6590 k =-0.0882 0.0545 0.5359 ( 4916 PWs) bands (ev): -13.2929 -13.2929 -13.2924 -13.2924 -10.6669 -10.6669 -10.6660 -10.6660 -9.6072 -9.6072 -9.6052 -9.6052 -4.5922 -4.5922 -4.5875 -4.5875 -1.3762 -1.3762 -1.3704 -1.3704 -0.1496 -0.1496 -0.1281 -0.1281 0.2193 0.2193 0.2318 0.2318 1.3867 1.3867 1.3936 1.3936 2.1873 2.1873 2.1934 2.1934 3.2511 3.2511 3.2564 3.2564 3.7946 3.7946 3.8034 3.8034 4.1833 4.1833 4.1880 4.1880 9.1152 9.1152 9.1334 9.1334 9.4054 9.4054 9.4206 9.4206 11.6638 11.6638 k =-0.1029 0.0635 0.5359 ( 4920 PWs) bands (ev): -13.2884 -13.2884 -13.2879 -13.2879 -10.6784 -10.6784 -10.6774 -10.6774 -9.6077 -9.6077 -9.6055 -9.6055 -4.5733 -4.5733 -4.5678 -4.5678 -1.3919 -1.3919 -1.3854 -1.3854 -0.1413 -0.1413 -0.1176 -0.1176 0.2377 0.2377 0.2514 0.2514 1.3697 1.3697 1.3778 1.3778 2.1961 2.1961 2.2033 2.2033 3.2395 3.2395 3.2457 3.2457 3.7594 3.7594 3.7687 3.7687 4.1944 4.1944 4.1992 4.1992 9.1325 9.1325 9.1531 9.1531 9.4184 9.4184 9.4359 9.4359 11.6686 11.6686 k =-0.1176 0.0726 0.5359 ( 4912 PWs) bands (ev): -13.2833 -13.2833 -13.2827 -13.2827 -10.6914 -10.6914 -10.6903 -10.6903 -9.6083 -9.6083 -9.6058 -9.6058 -4.5516 -4.5516 -4.5454 -4.5454 -1.4096 -1.4096 -1.4027 -1.4027 -0.1313 -0.1313 -0.1059 -0.1059 0.2587 0.2587 0.2734 0.2734 1.3505 1.3505 1.3599 1.3599 2.2049 2.2049 2.2133 2.2133 3.2268 3.2268 3.2338 3.2338 3.7239 3.7239 3.7335 3.7335 4.2037 4.2037 4.2084 4.2084 9.1490 9.1490 9.1713 9.1713 9.4369 9.4369 9.4562 9.4562 11.6730 11.6730 k =-0.1324 0.0817 0.5359 ( 4910 PWs) bands (ev): -13.2777 -13.2777 -13.2770 -13.2770 -10.7057 -10.7057 -10.7044 -10.7044 -9.6089 -9.6089 -9.6063 -9.6063 -4.5273 -4.5273 -4.5205 -4.5205 -1.4293 -1.4293 -1.4220 -1.4220 -0.1195 -0.1195 -0.0928 -0.0928 0.2821 0.2821 0.2976 0.2976 1.3294 1.3294 1.3402 1.3402 2.2132 2.2132 2.2228 2.2228 3.2132 3.2132 3.2210 3.2210 3.6885 3.6885 3.6984 3.6984 4.2109 4.2109 4.2156 4.2156 9.1635 9.1635 9.1866 9.1866 9.4620 9.4620 9.4822 9.4822 11.6767 11.6767 k =-0.1471 0.0908 0.5359 ( 4906 PWs) bands (ev): -13.2714 -13.2714 -13.2707 -13.2707 -10.7212 -10.7212 -10.7199 -10.7199 -9.6097 -9.6097 -9.6069 -9.6069 -4.5004 -4.5004 -4.4930 -4.4930 -1.4509 -1.4509 -1.4434 -1.4434 -0.1060 -0.1060 -0.0784 -0.0784 0.3079 0.3079 0.3240 0.3240 1.3064 1.3064 1.3186 1.3186 2.2204 2.2204 2.2313 2.2313 3.1991 3.1991 3.2076 3.2076 3.6537 3.6537 3.6637 3.6637 4.2162 4.2162 4.2209 4.2209 9.1754 9.1754 9.1984 9.1984 9.4938 9.4938 9.5144 9.5144 11.6791 11.6791 k =-0.1618 0.0999 0.5359 ( 4914 PWs) bands (ev): -13.2647 -13.2647 -13.2639 -13.2639 -10.7378 -10.7378 -10.7363 -10.7363 -9.6106 -9.6106 -9.6077 -9.6077 -4.4711 -4.4711 -4.4631 -4.4631 -1.4743 -1.4743 -1.4666 -1.4666 -0.0909 -0.0909 -0.0629 -0.0629 0.3359 0.3359 0.3525 0.3525 1.2817 1.2817 1.2954 1.2954 2.2261 2.2261 2.2383 2.2383 3.1849 3.1849 3.1941 3.1941 3.6199 3.6199 3.6300 3.6300 4.2195 4.2195 4.2242 4.2242 9.1844 9.1844 9.2065 9.2065 9.5321 9.5321 9.5526 9.5526 11.6798 11.6798 k =-0.1765 0.1089 0.5359 ( 4910 PWs) bands (ev): -13.2575 -13.2575 -13.2566 -13.2566 -10.7552 -10.7552 -10.7537 -10.7537 -9.6117 -9.6117 -9.6086 -9.6086 -4.4396 -4.4396 -4.4311 -4.4311 -1.4993 -1.4993 -1.4916 -1.4916 -0.0744 -0.0744 -0.0462 -0.0462 0.3659 0.3659 0.3830 0.3830 1.2554 1.2554 1.2706 1.2706 2.2297 2.2297 2.2431 2.2431 3.1711 3.1711 3.1809 3.1809 3.5874 3.5874 3.5974 3.5974 4.2209 4.2209 4.2257 4.2257 9.1906 9.1906 9.2114 9.2114 9.5760 9.5760 9.5963 9.5963 11.6785 11.6785 k =-0.1912 0.1180 0.5359 ( 4910 PWs) bands (ev): -13.2498 -13.2498 -13.2489 -13.2489 -10.7735 -10.7735 -10.7719 -10.7719 -9.6128 -9.6128 -9.6097 -9.6097 -4.4059 -4.4059 -4.3970 -4.3970 -1.5258 -1.5258 -1.5181 -1.5181 -0.0566 -0.0566 -0.0284 -0.0284 0.3978 0.3978 0.4155 0.4155 1.2276 1.2276 1.2444 1.2444 2.2307 2.2307 2.2454 2.2454 3.1581 3.1581 3.1683 3.1683 3.5564 3.5564 3.5662 3.5662 4.2206 4.2206 4.2254 4.2254 9.1945 9.1945 9.2138 9.2138 9.6246 9.6246 9.6447 9.6447 11.6748 11.6748 k =-0.2059 0.1271 0.5359 ( 4922 PWs) bands (ev): -13.2418 -13.2418 -13.2408 -13.2408 -10.7923 -10.7923 -10.7907 -10.7907 -9.6141 -9.6141 -9.6109 -9.6109 -4.3704 -4.3704 -4.3610 -4.3610 -1.5536 -1.5536 -1.5461 -1.5461 -0.0375 -0.0375 -0.0097 -0.0097 0.4314 0.4314 0.4497 0.4497 1.1985 1.1985 1.2169 1.2169 2.2288 2.2288 2.2446 2.2446 3.1462 3.1462 3.1567 3.1567 3.5273 3.5273 3.5368 3.5368 4.2187 4.2187 4.2235 4.2235 9.1963 9.1963 9.2142 9.2142 9.6769 9.6769 9.6970 9.6970 11.6685 11.6685 k =-0.2206 0.1362 0.5359 ( 4922 PWs) bands (ev): -13.2335 -13.2335 -13.2325 -13.2325 -10.8116 -10.8116 -10.8100 -10.8100 -9.6155 -9.6155 -9.6123 -9.6123 -4.3331 -4.3331 -4.3234 -4.3234 -1.5827 -1.5827 -1.5753 -1.5753 -0.0175 -0.0175 0.0098 0.0098 0.4665 0.4665 0.4856 0.4856 1.1682 1.1682 1.1884 1.1884 2.2236 2.2236 2.2406 2.2406 3.1355 3.1355 3.1461 3.1461 3.5003 3.5003 3.5093 3.5093 4.2154 4.2154 4.2202 4.2202 9.1967 9.1967 9.2132 9.2132 9.7321 9.7321 9.7524 9.7524 11.6596 11.6596 k =-0.2353 0.1452 0.5359 ( 4922 PWs) bands (ev): -13.2249 -13.2249 -13.2239 -13.2239 -10.8312 -10.8312 -10.8295 -10.8295 -9.6170 -9.6170 -9.6139 -9.6139 -4.2943 -4.2943 -4.2843 -4.2843 -1.6128 -1.6128 -1.6057 -1.6057 0.0034 0.0034 0.0301 0.0301 0.5029 0.5029 0.5230 0.5230 1.1369 1.1369 1.1589 1.1589 2.2151 2.2151 2.2331 2.2331 3.1262 3.1262 3.1366 3.1366 3.4757 3.4757 3.4842 3.4842 4.2107 4.2107 4.2156 4.2156 9.1960 9.1960 9.2112 9.2112 9.7894 9.7894 9.8102 9.8102 11.6480 11.6480 k =-0.2500 0.1543 0.5359 ( 4926 PWs) bands (ev): -13.2162 -13.2162 -13.2151 -13.2151 -10.8509 -10.8509 -10.8493 -10.8493 -9.6186 -9.6186 -9.6155 -9.6155 -4.2542 -4.2542 -4.2441 -4.2441 -1.6438 -1.6438 -1.6369 -1.6369 0.0251 0.0251 0.0510 0.0510 0.5402 0.5402 0.5616 0.5616 1.1050 1.1050 1.1290 1.1290 2.2032 2.2032 2.2223 2.2223 3.1178 3.1178 3.1279 3.1279 3.4538 3.4538 3.4617 3.4617 4.2048 4.2048 4.2098 4.2098 9.1943 9.1943 9.2084 9.2084 9.8484 9.8484 9.8697 9.8697 11.6338 11.6338 k =-0.2647 0.1634 0.5359 ( 4926 PWs) bands (ev): -13.2073 -13.2073 -13.2063 -13.2063 -10.8706 -10.8706 -10.8689 -10.8689 -9.6203 -9.6203 -9.6172 -9.6172 -4.2131 -4.2131 -4.2028 -4.2028 -1.6756 -1.6756 -1.6689 -1.6689 0.0473 0.0473 0.0724 0.0724 0.5779 0.5779 0.6010 0.6010 1.0728 1.0728 1.0988 1.0988 2.1881 2.1881 2.2081 2.2081 3.1100 3.1100 3.1195 3.1195 3.4350 3.4350 3.4424 3.4424 4.1979 4.1979 4.2030 4.2030 9.1921 9.1921 9.2051 9.2051 9.9084 9.9084 9.9304 9.9304 11.6170 11.6170 k =-0.2794 0.1725 0.5359 ( 4928 PWs) bands (ev): -13.1984 -13.1984 -13.1974 -13.1974 -10.8901 -10.8901 -10.8885 -10.8885 -9.6220 -9.6220 -9.6191 -9.6191 -4.1713 -4.1713 -4.1609 -4.1609 -1.7078 -1.7078 -1.7014 -1.7014 0.0700 0.0700 0.0944 0.0944 0.6154 0.6154 0.6407 0.6407 1.0409 1.0409 1.0692 1.0692 2.1701 2.1701 2.1909 2.1909 3.1021 3.1021 3.1109 3.1109 3.4198 3.4198 3.4267 3.4267 4.1902 4.1902 4.1953 4.1953 9.1895 9.1895 9.2015 9.2015 9.9690 9.9690 9.9918 9.9918 11.5979 11.5979 k =-0.2941 0.1816 0.5359 ( 4936 PWs) bands (ev): -13.1895 -13.1895 -13.1885 -13.1885 -10.9092 -10.9092 -10.9077 -10.9077 -9.6238 -9.6238 -9.6209 -9.6209 -4.1289 -4.1289 -4.1186 -4.1186 -1.7404 -1.7404 -1.7342 -1.7342 0.0932 0.0932 0.1168 0.1168 0.6517 0.6517 0.6797 0.6797 1.0101 1.0101 1.0410 1.0410 2.1495 2.1495 2.1710 2.1710 3.0935 3.0935 3.1016 3.1016 3.4084 3.4084 3.4150 3.4150 4.1818 4.1818 4.1869 4.1869 9.1866 9.1866 9.1978 9.1978 10.0299 10.0299 10.0534 10.0534 11.5764 11.5764 k =-0.3088 0.1906 0.5359 ( 4952 PWs) bands (ev): -13.1808 -13.1808 -13.1798 -13.1798 -10.9279 -10.9279 -10.9263 -10.9263 -9.6256 -9.6256 -9.6229 -9.6229 -4.0865 -4.0865 -4.0762 -4.0762 -1.7731 -1.7731 -1.7671 -1.7671 0.1166 0.1166 0.1395 0.1395 0.6849 0.6849 0.7163 0.7163 0.9821 0.9821 1.0159 1.0159 2.1268 2.1268 2.1489 2.1489 3.0836 3.0836 3.0910 3.0910 3.4011 3.4011 3.4075 3.4075 4.1729 4.1729 4.1780 4.1780 9.1836 9.1836 9.1939 9.1939 10.0907 10.0907 10.1150 10.1150 11.5528 11.5528 k =-0.3235 0.1997 0.5359 ( 4948 PWs) bands (ev): -13.1722 -13.1722 -13.1712 -13.1712 -10.9459 -10.9459 -10.9444 -10.9444 -9.6273 -9.6273 -9.6248 -9.6248 -4.0443 -4.0443 -4.0342 -4.0342 -1.8056 -1.8056 -1.7998 -1.7998 0.1404 0.1404 0.1626 0.1626 0.7125 0.7125 0.7473 0.7473 0.9601 0.9601 0.9964 0.9964 2.1024 2.1024 2.1249 2.1249 3.0720 3.0720 3.0788 3.0788 3.3978 3.3978 3.4042 3.4042 4.1636 4.1636 4.1687 4.1687 9.1806 9.1806 9.1901 9.1901 10.1511 10.1511 10.1762 10.1762 11.5272 11.5272 k =-0.3382 0.2088 0.5359 ( 4950 PWs) bands (ev): -13.1639 -13.1639 -13.1630 -13.1630 -10.9630 -10.9630 -10.9617 -10.9617 -9.6291 -9.6291 -9.6267 -9.6267 -4.0028 -4.0028 -3.9929 -3.9929 -1.8376 -1.8376 -1.8321 -1.8321 0.1643 0.1643 0.1861 0.1861 0.7306 0.7306 0.7669 0.7669 0.9498 0.9498 0.9863 0.9863 2.0767 2.0767 2.0995 2.0995 3.0589 3.0589 3.0652 3.0652 3.3983 3.3983 3.4045 3.4045 4.1542 4.1542 4.1592 4.1592 9.1777 9.1777 9.1863 9.1863 10.2109 10.2109 10.2366 10.2366 11.4997 11.4997 k =-0.3529 0.2179 0.5359 ( 4946 PWs) bands (ev): -13.1560 -13.1560 -13.1551 -13.1551 -10.9793 -10.9793 -10.9780 -10.9780 -9.6307 -9.6307 -9.6285 -9.6285 -3.9622 -3.9622 -3.9528 -3.9528 -1.8689 -1.8689 -1.8636 -1.8636 0.1886 0.1886 0.2098 0.2098 0.7353 0.7353 0.7694 0.7694 0.9565 0.9565 0.9890 0.9890 2.0502 2.0502 2.0731 2.0731 3.0445 3.0445 3.0504 3.0504 3.4019 3.4019 3.4081 3.4081 4.1447 4.1447 4.1496 4.1496 9.1749 9.1749 9.1827 9.1827 10.2697 10.2697 10.2959 10.2959 11.4705 11.4705 k =-0.3676 0.2270 0.5359 ( 4954 PWs) bands (ev): -13.1486 -13.1486 -13.1477 -13.1477 -10.9945 -10.9945 -10.9932 -10.9932 -9.6323 -9.6323 -9.6303 -9.6303 -3.9232 -3.9232 -3.9142 -3.9142 -1.8990 -1.8990 -1.8940 -1.8940 0.2130 0.2130 0.2339 0.2339 0.7265 0.7265 0.7562 0.7562 0.9787 0.9787 1.0048 1.0048 2.0234 2.0234 2.0460 2.0460 3.0294 3.0294 3.0348 3.0348 3.4080 3.4080 3.4139 3.4139 4.1354 4.1354 4.1401 4.1401 9.1723 9.1723 9.1793 9.1793 10.3272 10.3272 10.3538 10.3538 11.4399 11.4399 k =-0.3824 0.2360 0.5359 ( 4956 PWs) bands (ev): -13.1416 -13.1416 -13.1408 -13.1408 -11.0084 -11.0084 -11.0073 -11.0073 -9.6338 -9.6338 -9.6320 -9.6320 -3.8862 -3.8862 -3.8778 -3.8778 -1.9277 -1.9277 -1.9230 -1.9230 0.2376 0.2376 0.2583 0.2583 0.7074 0.7074 0.7336 0.7336 1.0095 1.0095 1.0300 1.0300 1.9966 1.9966 2.0188 2.0188 3.0140 3.0140 3.0189 3.0189 3.4158 3.4158 3.4214 3.4214 4.1264 4.1264 4.1309 4.1309 9.1699 9.1699 9.1761 9.1761 10.3831 10.3831 10.4098 10.4098 11.4081 11.4081 k =-0.3971 0.2451 0.5359 ( 4948 PWs) bands (ev): -13.1353 -13.1353 -13.1346 -13.1346 -11.0210 -11.0210 -11.0200 -11.0200 -9.6351 -9.6351 -9.6335 -9.6335 -3.8516 -3.8516 -3.8439 -3.8439 -1.9544 -1.9544 -1.9501 -1.9501 0.2624 0.2624 0.2830 0.2830 0.6823 0.6823 0.7064 0.7064 1.0436 1.0436 1.0603 1.0603 1.9705 1.9705 1.9918 1.9918 2.9990 2.9990 3.0034 3.0034 3.4246 3.4246 3.4298 3.4298 4.1179 4.1179 4.1221 4.1221 9.1677 9.1677 9.1732 9.1732 10.4369 10.4369 10.4634 10.4634 11.3758 11.3758 k =-0.4118 0.2542 0.5359 ( 4944 PWs) bands (ev): -13.1296 -13.1296 -13.1290 -13.1290 -11.0322 -11.0322 -11.0313 -11.0313 -9.6363 -9.6363 -9.6349 -9.6349 -3.8201 -3.8201 -3.8132 -3.8132 -1.9788 -1.9788 -1.9750 -1.9750 0.2875 0.2875 0.3079 0.3079 0.6541 0.6541 0.6770 0.6770 1.0779 1.0779 1.0922 1.0922 1.9456 1.9456 1.9657 1.9657 2.9849 2.9849 2.9888 2.9888 3.4337 3.4337 3.4383 3.4383 4.1102 4.1102 4.1140 4.1140 9.1659 9.1659 9.1706 9.1706 10.4881 10.4881 10.5139 10.5139 11.3435 11.3435 k =-0.4265 0.2633 0.5359 ( 4958 PWs) bands (ev): -13.1247 -13.1247 -13.1241 -13.1241 -11.0418 -11.0418 -11.0410 -11.0410 -9.6373 -9.6373 -9.6362 -9.6362 -3.7921 -3.7921 -3.7861 -3.7861 -2.0004 -2.0004 -1.9971 -1.9971 0.3127 0.3127 0.3329 0.3329 0.6248 0.6248 0.6469 0.6469 1.1107 1.1107 1.1232 1.1232 1.9226 1.9226 1.9408 1.9408 2.9722 2.9722 2.9755 2.9755 3.4425 3.4425 3.4465 3.4465 4.1033 4.1033 4.1066 4.1066 9.1644 9.1644 9.1683 9.1683 10.5360 10.5360 10.5603 10.5603 11.3123 11.3123 k =-0.4412 0.2723 0.5359 ( 4962 PWs) bands (ev): -13.1205 -13.1205 -13.1201 -13.1201 -11.0498 -11.0498 -11.0492 -11.0492 -9.6382 -9.6382 -9.6372 -9.6372 -3.7682 -3.7682 -3.7633 -3.7633 -2.0187 -2.0187 -2.0160 -2.0160 0.3380 0.3380 0.3577 0.3577 0.5955 0.5955 0.6169 0.6169 1.1405 1.1405 1.1511 1.1511 1.9024 1.9024 1.9181 1.9181 2.9612 2.9612 2.9639 2.9639 3.4505 3.4505 3.4538 3.4538 4.0974 4.0974 4.1002 4.1002 9.1632 9.1632 9.1663 9.1663 10.5795 10.5795 10.6016 10.6016 11.2834 11.2834 k =-0.4559 0.2814 0.5359 ( 4960 PWs) bands (ev): -13.1172 -13.1172 -13.1169 -13.1169 -11.0560 -11.0560 -11.0556 -11.0556 -9.6388 -9.6388 -9.6381 -9.6381 -3.7488 -3.7488 -3.7451 -3.7451 -2.0334 -2.0334 -2.0313 -2.0313 0.3630 0.3630 0.3818 0.3818 0.5677 0.5677 0.5877 0.5877 1.1660 1.1660 1.1745 1.1745 1.8858 1.8858 1.8984 1.8984 2.9524 2.9524 2.9545 2.9545 3.4573 3.4573 3.4599 3.4599 4.0928 4.0928 4.0949 4.0949 9.1623 9.1623 9.1647 9.1647 10.6174 10.6174 10.6360 10.6360 11.2587 11.2587 k =-0.4706 0.2905 0.5359 ( 4954 PWs) bands (ev): -13.1148 -13.1148 -13.1146 -13.1146 -11.0605 -11.0605 -11.0602 -11.0602 -9.6392 -9.6392 -9.6388 -9.6388 -3.7345 -3.7345 -3.7319 -3.7319 -2.0441 -2.0441 -2.0426 -2.0426 0.3869 0.3869 0.4035 0.4035 0.5431 0.5431 0.5605 0.5605 1.1859 1.1859 1.1919 1.1919 1.8737 1.8737 1.8826 1.8826 2.9460 2.9460 2.9474 2.9474 3.4626 3.4626 3.4643 3.4643 4.0895 4.0895 4.0909 4.0909 9.1618 9.1618 9.1634 9.1634 10.6479 10.6479 10.6616 10.6616 11.2401 11.2401 k =-0.4853 0.2996 0.5359 ( 4966 PWs) bands (ev): -13.1134 -13.1134 -13.1133 -13.1133 -11.0632 -11.0632 -11.0630 -11.0630 -9.6395 -9.6395 -9.6392 -9.6392 -3.7255 -3.7255 -3.7242 -3.7242 -2.0505 -2.0505 -2.0497 -2.0497 0.4078 0.4078 0.4189 0.4189 0.5259 0.5259 0.5375 0.5375 1.1990 1.1990 1.2022 1.2022 1.8671 1.8671 1.8717 1.8717 2.9423 2.9423 2.9430 2.9430 3.4660 3.4660 3.4668 3.4668 4.0876 4.0876 4.0883 4.0883 9.1617 9.1617 9.1625 9.1625 10.6691 10.6691 10.6763 10.6763 11.2296 11.2296 k =-0.5000 0.3087 0.5359 ( 4960 PWs) bands (ev): -13.1128 -13.1128 -13.1128 -13.1128 -11.0640 -11.0640 -11.0640 -11.0640 -9.6394 -9.6394 -9.6394 -9.6394 -3.7220 -3.7220 -3.7220 -3.7220 -2.0524 -2.0524 -2.0524 -2.0524 0.4208 0.4208 0.4208 0.4208 0.5236 0.5236 0.5236 0.5236 1.2046 1.2046 1.2046 1.2046 1.8664 1.8664 1.8664 1.8664 2.9412 2.9412 2.9412 2.9412 3.4674 3.4674 3.4674 3.4674 4.0872 4.0872 4.0872 4.0872 9.1619 9.1619 9.1619 9.1619 10.6789 10.6789 10.6789 10.6789 11.2287 11.2287 Writing output data file Ge2N2O.save init_run : 3.77s CPU 11.87s WALL ( 1 calls) electrons : 1131.75s CPU 1142.74s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.83s CPU 1.79s WALL ( 1 calls) Called by electrons: c_bands : 1131.72s CPU 1142.55s WALL ( 1 calls) v_of_rho : 0.21s CPU 0.99s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.19s CPU 0.67s WALL ( 1 calls) newd : 0.27s CPU 0.40s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.09s WALL ( 354 calls) cegterg : 1043.52s CPU 1050.12s WALL ( 1172 calls) Called by sum_band: Called by *egterg: h_psi : 376.27s CPU 388.17s WALL ( 21757 calls) s_psi : 30.18s CPU 30.82s WALL ( 21757 calls) g_psi : 1.04s CPU 1.13s WALL ( 20231 calls) cdiaghg : 475.51s CPU 470.49s WALL ( 20585 calls) cegterg:over : 86.62s CPU 84.06s WALL ( 20231 calls) cegterg:upda : 21.48s CPU 27.17s WALL ( 20231 calls) cegterg:last : 17.85s CPU 18.74s WALL ( 2583 calls) Called by h_psi: h_psi:vloc : 293.44s CPU 303.69s WALL ( 21757 calls) h_psi:vnl : 82.16s CPU 83.23s WALL ( 21757 calls) add_vuspsi : 23.85s CPU 28.16s WALL ( 21757 calls) General routines calbec : 58.24s CPU 54.94s WALL ( 21757 calls) fft : 0.74s CPU 1.52s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 275.64s CPU 283.08s WALL ( 1675100 calls) interpolate : 0.33s CPU 0.35s WALL ( 4 calls) davcio : 0.02s CPU 3.77s WALL ( 708 calls) Parallel routines fft_scatter : 178.96s CPU 181.60s WALL ( 1675123 calls) PWSCF : 20m12.67s CPU 26m50.84s WALL This run was terminated on: 17:45:12 24Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=