Program PWSCF v.5.1.1 starts on 24Nov2015 at 17:17:40 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: ./Si2N2O.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 46 26 7 1608 707 109 Max 47 27 8 1612 719 114 Sum 2219 1295 379 77303 34161 5403 bravais-lattice index = 14 lattice parameter (alat) = 9.8190 a.u. unit-cell volume = 785.1013 (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)= 9.819018 celldm(2)= 1.000000 celldm(3)= 0.928406 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.449518 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.449518 0.893271 0.000000 ) a(3) = ( 0.000000 0.000000 0.928406 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.503227 -0.000000 ) b(2) = ( 0.000000 1.119481 -0.000000 ) b(3) = ( 0.000000 0.000000 1.077115 ) PseudoPot. # 1 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. # 2 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 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 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for 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 O 6.00 15.99940 O( 1.00) Si 4.00 28.08550 Si( 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 ) ( -0.4642031 ) 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= 374 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0086236 0.0139935 -0.0000000), wk = 0.0026738 k( 3) = ( 0.0172471 0.0279870 -0.0000000), wk = 0.0026738 k( 4) = ( 0.0258707 0.0419805 -0.0000000), wk = 0.0026738 k( 5) = ( 0.0344942 0.0559740 -0.0000000), wk = 0.0026738 k( 6) = ( 0.0431178 0.0699675 -0.0000000), wk = 0.0026738 k( 7) = ( 0.0517413 0.0839610 -0.0000000), wk = 0.0026738 k( 8) = ( 0.0603649 0.0979546 -0.0000000), wk = 0.0026738 k( 9) = ( 0.0689885 0.1119481 -0.0000000), wk = 0.0026738 k( 10) = ( 0.0776120 0.1259416 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0862356 0.1399351 -0.0000000), wk = 0.0026738 k( 12) = ( 0.0948591 0.1539286 -0.0000000), wk = 0.0026738 k( 13) = ( 0.1034827 0.1679221 -0.0000000), wk = 0.0026738 k( 14) = ( 0.1121062 0.1819156 -0.0000000), wk = 0.0026738 k( 15) = ( 0.1207298 0.1959091 -0.0000000), wk = 0.0026738 k( 16) = ( 0.1293534 0.2099026 -0.0000000), wk = 0.0026738 k( 17) = ( 0.1379769 0.2238961 -0.0000000), wk = 0.0026738 k( 18) = ( 0.1466005 0.2378896 -0.0000000), wk = 0.0026738 k( 19) = ( 0.1552240 0.2518832 -0.0000000), wk = 0.0026738 k( 20) = ( 0.1638476 0.2658767 -0.0000000), wk = 0.0026738 k( 21) = ( 0.1724711 0.2798702 -0.0000000), wk = 0.0026738 k( 22) = ( 0.1810947 0.2938637 -0.0000000), wk = 0.0026738 k( 23) = ( 0.1897183 0.3078572 -0.0000000), wk = 0.0026738 k( 24) = ( 0.1983418 0.3218507 -0.0000000), wk = 0.0026738 k( 25) = ( 0.2069654 0.3358442 -0.0000000), wk = 0.0026738 k( 26) = ( 0.2155889 0.3498377 -0.0000000), wk = 0.0026738 k( 27) = ( 0.2242125 0.3638312 -0.0000000), wk = 0.0026738 k( 28) = ( 0.2328360 0.3778247 -0.0000000), wk = 0.0026738 k( 29) = ( 0.2414596 0.3918182 -0.0000000), wk = 0.0026738 k( 30) = ( 0.2500831 0.4058117 -0.0000000), wk = 0.0026738 k( 31) = ( 0.2587067 0.4198053 -0.0000000), wk = 0.0026738 k( 32) = ( 0.2673303 0.4337988 -0.0000000), wk = 0.0026738 k( 33) = ( 0.2759538 0.4477923 -0.0000000), wk = 0.0026738 k( 34) = ( 0.2845774 0.4617858 -0.0000000), wk = 0.0026738 k( 35) = ( 0.2932009 0.4757793 -0.0000000), wk = 0.0026738 k( 36) = ( 0.3018245 0.4897728 -0.0000000), wk = 0.0026738 k( 37) = ( 0.3104480 0.5037663 -0.0000000), wk = 0.0026738 k( 38) = ( 0.3190716 0.5177598 -0.0000000), wk = 0.0026738 k( 39) = ( 0.3276952 0.5317533 -0.0000000), wk = 0.0026738 k( 40) = ( 0.3363187 0.5457468 -0.0000000), wk = 0.0026738 k( 41) = ( 0.3449423 0.5597403 -0.0000000), wk = 0.0026738 k( 42) = ( 0.3449423 0.5597403 -0.0000000), wk = 0.0026738 k( 43) = ( 0.3285165 0.5597403 -0.0000000), wk = 0.0026738 k( 44) = ( 0.3120906 0.5597403 -0.0000000), wk = 0.0026738 k( 45) = ( 0.2956648 0.5597403 -0.0000000), wk = 0.0026738 k( 46) = ( 0.2792390 0.5597403 -0.0000000), wk = 0.0026738 k( 47) = ( 0.2628132 0.5597403 -0.0000000), wk = 0.0026738 k( 48) = ( 0.2463873 0.5597403 -0.0000000), wk = 0.0026738 k( 49) = ( 0.2299615 0.5597403 -0.0000000), wk = 0.0026738 k( 50) = ( 0.2135357 0.5597403 -0.0000000), wk = 0.0026738 k( 51) = ( 0.1971099 0.5597403 -0.0000000), wk = 0.0026738 k( 52) = ( 0.1806841 0.5597403 -0.0000000), wk = 0.0026738 k( 53) = ( 0.1642582 0.5597403 -0.0000000), wk = 0.0026738 k( 54) = ( 0.1478324 0.5597403 -0.0000000), wk = 0.0026738 k( 55) = ( 0.1314066 0.5597403 -0.0000000), wk = 0.0026738 k( 56) = ( 0.1149808 0.5597403 -0.0000000), wk = 0.0026738 k( 57) = ( 0.0985549 0.5597403 -0.0000000), wk = 0.0026738 k( 58) = ( 0.0821291 0.5597403 -0.0000000), wk = 0.0026738 k( 59) = ( 0.0657033 0.5597403 -0.0000000), wk = 0.0026738 k( 60) = ( 0.0492775 0.5597403 -0.0000000), wk = 0.0026738 k( 61) = ( 0.0328517 0.5597403 -0.0000000), wk = 0.0026738 k( 62) = ( 0.0164258 0.5597403 -0.0000000), wk = 0.0026738 k( 63) = ( 0.0000000 0.5597403 -0.0000000), wk = 0.0026738 k( 64) = ( 0.0000000 0.5597403 -0.0000000), wk = 0.0026738 k( 65) = ( 0.0000000 0.5597403 0.0163199), wk = 0.0026738 k( 66) = ( 0.0000000 0.5597403 0.0326398), wk = 0.0026738 k( 67) = ( 0.0000000 0.5597403 0.0489598), wk = 0.0026738 k( 68) = ( 0.0000000 0.5597403 0.0652797), wk = 0.0026738 k( 69) = ( 0.0000000 0.5597403 0.0815996), wk = 0.0026738 k( 70) = ( 0.0000000 0.5597403 0.0979195), wk = 0.0026738 k( 71) = ( 0.0000000 0.5597403 0.1142394), wk = 0.0026738 k( 72) = ( 0.0000000 0.5597403 0.1305594), wk = 0.0026738 k( 73) = ( 0.0000000 0.5597403 0.1468793), wk = 0.0026738 k( 74) = ( 0.0000000 0.5597403 0.1631992), wk = 0.0026738 k( 75) = ( 0.0000000 0.5597403 0.1795191), wk = 0.0026738 k( 76) = ( 0.0000000 0.5597403 0.1958390), wk = 0.0026738 k( 77) = ( 0.0000000 0.5597403 0.2121590), wk = 0.0026738 k( 78) = ( 0.0000000 0.5597403 0.2284789), wk = 0.0026738 k( 79) = ( 0.0000000 0.5597403 0.2447988), wk = 0.0026738 k( 80) = ( 0.0000000 0.5597403 0.2611187), wk = 0.0026738 k( 81) = ( 0.0000000 0.5597403 0.2774386), wk = 0.0026738 k( 82) = ( 0.0000000 0.5597403 0.2937585), wk = 0.0026738 k( 83) = ( 0.0000000 0.5597403 0.3100785), wk = 0.0026738 k( 84) = ( 0.0000000 0.5597403 0.3263984), wk = 0.0026738 k( 85) = ( 0.0000000 0.5597403 0.3427183), wk = 0.0026738 k( 86) = ( 0.0000000 0.5597403 0.3590382), wk = 0.0026738 k( 87) = ( 0.0000000 0.5597403 0.3753581), wk = 0.0026738 k( 88) = ( 0.0000000 0.5597403 0.3916781), wk = 0.0026738 k( 89) = ( 0.0000000 0.5597403 0.4079980), wk = 0.0026738 k( 90) = ( 0.0000000 0.5597403 0.4243179), wk = 0.0026738 k( 91) = ( 0.0000000 0.5597403 0.4406378), wk = 0.0026738 k( 92) = ( 0.0000000 0.5597403 0.4569577), wk = 0.0026738 k( 93) = ( 0.0000000 0.5597403 0.4732777), wk = 0.0026738 k( 94) = ( 0.0000000 0.5597403 0.4895976), wk = 0.0026738 k( 95) = ( 0.0000000 0.5597403 0.5059175), wk = 0.0026738 k( 96) = ( 0.0000000 0.5597403 0.5222374), wk = 0.0026738 k( 97) = ( 0.0000000 0.5597403 0.5385573), wk = 0.0026738 k( 98) = ( 0.0000000 0.5597403 0.5385573), wk = 0.0026738 k( 99) = ( 0.0164258 0.5597403 0.5385573), wk = 0.0026738 k( 100) = ( 0.0328517 0.5597403 0.5385573), wk = 0.0026738 k( 101) = ( 0.0492775 0.5597403 0.5385573), wk = 0.0026738 k( 102) = ( 0.0657033 0.5597403 0.5385573), wk = 0.0026738 k( 103) = ( 0.0821291 0.5597403 0.5385573), wk = 0.0026738 k( 104) = ( 0.0985549 0.5597403 0.5385573), wk = 0.0026738 k( 105) = ( 0.1149808 0.5597403 0.5385573), wk = 0.0026738 k( 106) = ( 0.1314066 0.5597403 0.5385573), wk = 0.0026738 k( 107) = ( 0.1478324 0.5597403 0.5385573), wk = 0.0026738 k( 108) = ( 0.1642582 0.5597403 0.5385573), wk = 0.0026738 k( 109) = ( 0.1806841 0.5597403 0.5385573), wk = 0.0026738 k( 110) = ( 0.1971099 0.5597403 0.5385573), wk = 0.0026738 k( 111) = ( 0.2135357 0.5597403 0.5385573), wk = 0.0026738 k( 112) = ( 0.2299615 0.5597403 0.5385573), wk = 0.0026738 k( 113) = ( 0.2463873 0.5597403 0.5385573), wk = 0.0026738 k( 114) = ( 0.2628132 0.5597403 0.5385573), wk = 0.0026738 k( 115) = ( 0.2792390 0.5597403 0.5385573), wk = 0.0026738 k( 116) = ( 0.2956648 0.5597403 0.5385573), wk = 0.0026738 k( 117) = ( 0.3120906 0.5597403 0.5385573), wk = 0.0026738 k( 118) = ( 0.3285165 0.5597403 0.5385573), wk = 0.0026738 k( 119) = ( 0.3449423 0.5597403 0.5385573), wk = 0.0026738 k( 120) = ( 0.3449423 0.5597403 0.5385573), wk = 0.0026738 k( 121) = ( 0.3363187 0.5457468 0.5385573), wk = 0.0026738 k( 122) = ( 0.3276952 0.5317533 0.5385573), wk = 0.0026738 k( 123) = ( 0.3190716 0.5177598 0.5385573), wk = 0.0026738 k( 124) = ( 0.3104480 0.5037663 0.5385573), wk = 0.0026738 k( 125) = ( 0.3018245 0.4897728 0.5385573), wk = 0.0026738 k( 126) = ( 0.2932009 0.4757793 0.5385573), wk = 0.0026738 k( 127) = ( 0.2845774 0.4617858 0.5385573), wk = 0.0026738 k( 128) = ( 0.2759538 0.4477923 0.5385573), wk = 0.0026738 k( 129) = ( 0.2673303 0.4337988 0.5385573), wk = 0.0026738 k( 130) = ( 0.2587067 0.4198053 0.5385573), wk = 0.0026738 k( 131) = ( 0.2500831 0.4058117 0.5385573), wk = 0.0026738 k( 132) = ( 0.2414596 0.3918182 0.5385573), wk = 0.0026738 k( 133) = ( 0.2328360 0.3778247 0.5385573), wk = 0.0026738 k( 134) = ( 0.2242125 0.3638312 0.5385573), wk = 0.0026738 k( 135) = ( 0.2155889 0.3498377 0.5385573), wk = 0.0026738 k( 136) = ( 0.2069654 0.3358442 0.5385573), wk = 0.0026738 k( 137) = ( 0.1983418 0.3218507 0.5385573), wk = 0.0026738 k( 138) = ( 0.1897183 0.3078572 0.5385573), wk = 0.0026738 k( 139) = ( 0.1810947 0.2938637 0.5385573), wk = 0.0026738 k( 140) = ( 0.1724711 0.2798702 0.5385573), wk = 0.0026738 k( 141) = ( 0.1638476 0.2658767 0.5385573), wk = 0.0026738 k( 142) = ( 0.1552240 0.2518832 0.5385573), wk = 0.0026738 k( 143) = ( 0.1466005 0.2378896 0.5385573), wk = 0.0026738 k( 144) = ( 0.1379769 0.2238961 0.5385573), wk = 0.0026738 k( 145) = ( 0.1293534 0.2099026 0.5385573), wk = 0.0026738 k( 146) = ( 0.1207298 0.1959091 0.5385573), wk = 0.0026738 k( 147) = ( 0.1121062 0.1819156 0.5385573), wk = 0.0026738 k( 148) = ( 0.1034827 0.1679221 0.5385573), wk = 0.0026738 k( 149) = ( 0.0948591 0.1539286 0.5385573), wk = 0.0026738 k( 150) = ( 0.0862356 0.1399351 0.5385573), wk = 0.0026738 k( 151) = ( 0.0776120 0.1259416 0.5385573), wk = 0.0026738 k( 152) = ( 0.0689885 0.1119481 0.5385573), wk = 0.0026738 k( 153) = ( 0.0603649 0.0979546 0.5385573), wk = 0.0026738 k( 154) = ( 0.0517413 0.0839610 0.5385573), wk = 0.0026738 k( 155) = ( 0.0431178 0.0699675 0.5385573), wk = 0.0026738 k( 156) = ( 0.0344942 0.0559740 0.5385573), wk = 0.0026738 k( 157) = ( 0.0258707 0.0419805 0.5385573), wk = 0.0026738 k( 158) = ( 0.0172471 0.0279870 0.5385573), wk = 0.0026738 k( 159) = ( 0.0086236 0.0139935 0.5385573), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.5385573), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.5385573), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.5222374), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.5059175), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.4895976), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.4732777), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.4569577), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.4406378), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.4243179), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.4079980), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.3916781), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.3753581), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.3590382), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.3427183), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.3263984), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.3100785), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.2937585), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.2774386), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.2611187), wk = 0.0026738 k( 179) = ( 0.0000000 0.0000000 0.2447988), wk = 0.0026738 k( 180) = ( 0.0000000 0.0000000 0.2284789), wk = 0.0026738 k( 181) = ( 0.0000000 0.0000000 0.2121590), wk = 0.0026738 k( 182) = ( 0.0000000 0.0000000 0.1958390), wk = 0.0026738 k( 183) = ( 0.0000000 0.0000000 0.1795191), wk = 0.0026738 k( 184) = ( 0.0000000 0.0000000 0.1631992), wk = 0.0026738 k( 185) = ( 0.0000000 0.0000000 0.1468793), wk = 0.0026738 k( 186) = ( 0.0000000 0.0000000 0.1305594), wk = 0.0026738 k( 187) = ( 0.0000000 0.0000000 0.1142394), wk = 0.0026738 k( 188) = ( 0.0000000 0.0000000 0.0979195), wk = 0.0026738 k( 189) = ( 0.0000000 0.0000000 0.0815996), wk = 0.0026738 k( 190) = ( 0.0000000 0.0000000 0.0652797), wk = 0.0026738 k( 191) = ( 0.0000000 0.0000000 0.0489598), wk = 0.0026738 k( 192) = ( 0.0000000 0.0000000 0.0326398), wk = 0.0026738 k( 193) = ( 0.0000000 0.0000000 0.0163199), wk = 0.0026738 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 196) = ( -0.0138889 0.0085591 0.0000000), wk = 0.0026738 k( 197) = ( -0.0277778 0.0171182 0.0000000), wk = 0.0026738 k( 198) = ( -0.0416667 0.0256773 0.0000000), wk = 0.0026738 k( 199) = ( -0.0555556 0.0342363 0.0000000), wk = 0.0026738 k( 200) = ( -0.0694444 0.0427954 0.0000000), wk = 0.0026738 k( 201) = ( -0.0833333 0.0513545 0.0000000), wk = 0.0026738 k( 202) = ( -0.0972222 0.0599136 0.0000000), wk = 0.0026738 k( 203) = ( -0.1111111 0.0684727 0.0000000), wk = 0.0026738 k( 204) = ( -0.1250000 0.0770318 0.0000000), wk = 0.0026738 k( 205) = ( -0.1388889 0.0855908 0.0000000), wk = 0.0026738 k( 206) = ( -0.1527778 0.0941499 0.0000000), wk = 0.0026738 k( 207) = ( -0.1666667 0.1027090 0.0000000), wk = 0.0026738 k( 208) = ( -0.1805556 0.1112681 0.0000000), wk = 0.0026738 k( 209) = ( -0.1944444 0.1198272 0.0000000), wk = 0.0026738 k( 210) = ( -0.2083333 0.1283863 0.0000000), wk = 0.0026738 k( 211) = ( -0.2222222 0.1369454 0.0000000), wk = 0.0026738 k( 212) = ( -0.2361111 0.1455044 0.0000000), wk = 0.0026738 k( 213) = ( -0.2500000 0.1540635 0.0000000), wk = 0.0026738 k( 214) = ( -0.2638889 0.1626226 0.0000000), wk = 0.0026738 k( 215) = ( -0.2777778 0.1711817 0.0000000), wk = 0.0026738 k( 216) = ( -0.2916667 0.1797408 0.0000000), wk = 0.0026738 k( 217) = ( -0.3055556 0.1882999 0.0000000), wk = 0.0026738 k( 218) = ( -0.3194444 0.1968589 0.0000000), wk = 0.0026738 k( 219) = ( -0.3333333 0.2054180 0.0000000), wk = 0.0026738 k( 220) = ( -0.3472222 0.2139771 0.0000000), wk = 0.0026738 k( 221) = ( -0.3611111 0.2225362 0.0000000), wk = 0.0026738 k( 222) = ( -0.3750000 0.2310953 0.0000000), wk = 0.0026738 k( 223) = ( -0.3888889 0.2396544 0.0000000), wk = 0.0026738 k( 224) = ( -0.4027778 0.2482135 0.0000000), wk = 0.0026738 k( 225) = ( -0.4166667 0.2567725 0.0000000), wk = 0.0026738 k( 226) = ( -0.4305556 0.2653316 0.0000000), wk = 0.0026738 k( 227) = ( -0.4444444 0.2738907 0.0000000), wk = 0.0026738 k( 228) = ( -0.4583333 0.2824498 0.0000000), wk = 0.0026738 k( 229) = ( -0.4722222 0.2910089 0.0000000), wk = 0.0026738 k( 230) = ( -0.4861111 0.2995680 0.0000000), wk = 0.0026738 k( 231) = ( -0.5000000 0.3081270 0.0000000), wk = 0.0026738 k( 232) = ( -0.5000000 0.3081270 0.0000000), wk = 0.0026738 k( 233) = ( -0.4913857 0.3221056 -0.0000000), wk = 0.0026738 k( 234) = ( -0.4827714 0.3360841 -0.0000000), wk = 0.0026738 k( 235) = ( -0.4741571 0.3500626 -0.0000000), wk = 0.0026738 k( 236) = ( -0.4655427 0.3640411 -0.0000000), wk = 0.0026738 k( 237) = ( -0.4569284 0.3780196 -0.0000000), wk = 0.0026738 k( 238) = ( -0.4483141 0.3919982 -0.0000000), wk = 0.0026738 k( 239) = ( -0.4396998 0.4059767 -0.0000000), wk = 0.0026738 k( 240) = ( -0.4310855 0.4199552 -0.0000000), wk = 0.0026738 k( 241) = ( -0.4224711 0.4339337 -0.0000000), wk = 0.0026738 k( 242) = ( -0.4138568 0.4479122 -0.0000000), wk = 0.0026738 k( 243) = ( -0.4052425 0.4618907 -0.0000000), wk = 0.0026738 k( 244) = ( -0.3966282 0.4758692 -0.0000000), wk = 0.0026738 k( 245) = ( -0.3880139 0.4898478 -0.0000000), wk = 0.0026738 k( 246) = ( -0.3793995 0.5038263 -0.0000000), wk = 0.0026738 k( 247) = ( -0.3707852 0.5178048 -0.0000000), wk = 0.0026738 k( 248) = ( -0.3621709 0.5317833 -0.0000000), wk = 0.0026738 k( 249) = ( -0.3535566 0.5457618 -0.0000000), wk = 0.0026738 k( 250) = ( -0.3449423 0.5597403 -0.0000000), wk = 0.0026738 k( 251) = ( -0.3449423 0.5597403 -0.0000000), wk = 0.0026738 k( 252) = ( -0.3449423 0.5597403 0.0163199), wk = 0.0026738 k( 253) = ( -0.3449423 0.5597403 0.0326398), wk = 0.0026738 k( 254) = ( -0.3449423 0.5597403 0.0489598), wk = 0.0026738 k( 255) = ( -0.3449423 0.5597403 0.0652797), wk = 0.0026738 k( 256) = ( -0.3449423 0.5597403 0.0815996), wk = 0.0026738 k( 257) = ( -0.3449423 0.5597403 0.0979195), wk = 0.0026738 k( 258) = ( -0.3449423 0.5597403 0.1142394), wk = 0.0026738 k( 259) = ( -0.3449423 0.5597403 0.1305594), wk = 0.0026738 k( 260) = ( -0.3449423 0.5597403 0.1468793), wk = 0.0026738 k( 261) = ( -0.3449423 0.5597403 0.1631992), wk = 0.0026738 k( 262) = ( -0.3449423 0.5597403 0.1795191), wk = 0.0026738 k( 263) = ( -0.3449423 0.5597403 0.1958390), wk = 0.0026738 k( 264) = ( -0.3449423 0.5597403 0.2121590), wk = 0.0026738 k( 265) = ( -0.3449423 0.5597403 0.2284789), wk = 0.0026738 k( 266) = ( -0.3449423 0.5597403 0.2447988), wk = 0.0026738 k( 267) = ( -0.3449423 0.5597403 0.2611187), wk = 0.0026738 k( 268) = ( -0.3449423 0.5597403 0.2774386), wk = 0.0026738 k( 269) = ( -0.3449423 0.5597403 0.2937585), wk = 0.0026738 k( 270) = ( -0.3449423 0.5597403 0.3100785), wk = 0.0026738 k( 271) = ( -0.3449423 0.5597403 0.3263984), wk = 0.0026738 k( 272) = ( -0.3449423 0.5597403 0.3427183), wk = 0.0026738 k( 273) = ( -0.3449423 0.5597403 0.3590382), wk = 0.0026738 k( 274) = ( -0.3449423 0.5597403 0.3753581), wk = 0.0026738 k( 275) = ( -0.3449423 0.5597403 0.3916781), wk = 0.0026738 k( 276) = ( -0.3449423 0.5597403 0.4079980), wk = 0.0026738 k( 277) = ( -0.3449423 0.5597403 0.4243179), wk = 0.0026738 k( 278) = ( -0.3449423 0.5597403 0.4406378), wk = 0.0026738 k( 279) = ( -0.3449423 0.5597403 0.4569577), wk = 0.0026738 k( 280) = ( -0.3449423 0.5597403 0.4732777), wk = 0.0026738 k( 281) = ( -0.3449423 0.5597403 0.4895976), wk = 0.0026738 k( 282) = ( -0.3449423 0.5597403 0.5059175), wk = 0.0026738 k( 283) = ( -0.3449423 0.5597403 0.5222374), wk = 0.0026738 k( 284) = ( -0.3449423 0.5597403 0.5385573), wk = 0.0026738 k( 285) = ( -0.3449423 0.5597403 0.5385573), wk = 0.0026738 k( 286) = ( -0.3535566 0.5457618 0.5385573), wk = 0.0026738 k( 287) = ( -0.3621709 0.5317833 0.5385573), wk = 0.0026738 k( 288) = ( -0.3707852 0.5178048 0.5385573), wk = 0.0026738 k( 289) = ( -0.3793995 0.5038263 0.5385573), wk = 0.0026738 k( 290) = ( -0.3880139 0.4898478 0.5385573), wk = 0.0026738 k( 291) = ( -0.3966282 0.4758692 0.5385573), wk = 0.0026738 k( 292) = ( -0.4052425 0.4618907 0.5385573), wk = 0.0026738 k( 293) = ( -0.4138568 0.4479122 0.5385573), wk = 0.0026738 k( 294) = ( -0.4224711 0.4339337 0.5385573), wk = 0.0026738 k( 295) = ( -0.4310855 0.4199552 0.5385573), wk = 0.0026738 k( 296) = ( -0.4396998 0.4059767 0.5385573), wk = 0.0026738 k( 297) = ( -0.4483141 0.3919982 0.5385573), wk = 0.0026738 k( 298) = ( -0.4569284 0.3780196 0.5385573), wk = 0.0026738 k( 299) = ( -0.4655427 0.3640411 0.5385573), wk = 0.0026738 k( 300) = ( -0.4741571 0.3500626 0.5385573), wk = 0.0026738 k( 301) = ( -0.4827714 0.3360841 0.5385573), wk = 0.0026738 k( 302) = ( -0.4913857 0.3221056 0.5385573), wk = 0.0026738 k( 303) = ( -0.5000000 0.3081270 0.5385573), wk = 0.0026738 k( 304) = ( -0.5000000 0.3081270 0.5385573), wk = 0.0026738 k( 305) = ( -0.5000000 0.3081270 0.5222374), wk = 0.0026738 k( 306) = ( -0.5000000 0.3081270 0.5059175), wk = 0.0026738 k( 307) = ( -0.5000000 0.3081270 0.4895976), wk = 0.0026738 k( 308) = ( -0.5000000 0.3081270 0.4732777), wk = 0.0026738 k( 309) = ( -0.5000000 0.3081270 0.4569577), wk = 0.0026738 k( 310) = ( -0.5000000 0.3081270 0.4406378), wk = 0.0026738 k( 311) = ( -0.5000000 0.3081270 0.4243179), wk = 0.0026738 k( 312) = ( -0.5000000 0.3081270 0.4079980), wk = 0.0026738 k( 313) = ( -0.5000000 0.3081270 0.3916781), wk = 0.0026738 k( 314) = ( -0.5000000 0.3081270 0.3753581), wk = 0.0026738 k( 315) = ( -0.5000000 0.3081270 0.3590382), wk = 0.0026738 k( 316) = ( -0.5000000 0.3081270 0.3427183), wk = 0.0026738 k( 317) = ( -0.5000000 0.3081270 0.3263984), wk = 0.0026738 k( 318) = ( -0.5000000 0.3081270 0.3100785), wk = 0.0026738 k( 319) = ( -0.5000000 0.3081270 0.2937585), wk = 0.0026738 k( 320) = ( -0.5000000 0.3081270 0.2774386), wk = 0.0026738 k( 321) = ( -0.5000000 0.3081270 0.2611187), wk = 0.0026738 k( 322) = ( -0.5000000 0.3081270 0.2447988), wk = 0.0026738 k( 323) = ( -0.5000000 0.3081270 0.2284789), wk = 0.0026738 k( 324) = ( -0.5000000 0.3081270 0.2121590), wk = 0.0026738 k( 325) = ( -0.5000000 0.3081270 0.1958390), wk = 0.0026738 k( 326) = ( -0.5000000 0.3081270 0.1795191), wk = 0.0026738 k( 327) = ( -0.5000000 0.3081270 0.1631992), wk = 0.0026738 k( 328) = ( -0.5000000 0.3081270 0.1468793), wk = 0.0026738 k( 329) = ( -0.5000000 0.3081270 0.1305594), wk = 0.0026738 k( 330) = ( -0.5000000 0.3081270 0.1142394), wk = 0.0026738 k( 331) = ( -0.5000000 0.3081270 0.0979195), wk = 0.0026738 k( 332) = ( -0.5000000 0.3081270 0.0815996), wk = 0.0026738 k( 333) = ( -0.5000000 0.3081270 0.0652797), wk = 0.0026738 k( 334) = ( -0.5000000 0.3081270 0.0489598), wk = 0.0026738 k( 335) = ( -0.5000000 0.3081270 0.0326398), wk = 0.0026738 k( 336) = ( -0.5000000 0.3081270 0.0163199), wk = 0.0026738 k( 337) = ( -0.5000000 0.3081270 0.0000000), wk = 0.0026738 k( 338) = ( 0.0000000 0.0000000 0.5385573), wk = 0.0026738 k( 339) = ( -0.0138889 0.0085591 0.5385573), wk = 0.0026738 k( 340) = ( -0.0277778 0.0171182 0.5385573), wk = 0.0026738 k( 341) = ( -0.0416667 0.0256773 0.5385573), wk = 0.0026738 k( 342) = ( -0.0555556 0.0342363 0.5385573), wk = 0.0026738 k( 343) = ( -0.0694444 0.0427954 0.5385573), wk = 0.0026738 k( 344) = ( -0.0833333 0.0513545 0.5385573), wk = 0.0026738 k( 345) = ( -0.0972222 0.0599136 0.5385573), wk = 0.0026738 k( 346) = ( -0.1111111 0.0684727 0.5385573), wk = 0.0026738 k( 347) = ( -0.1250000 0.0770318 0.5385573), wk = 0.0026738 k( 348) = ( -0.1388889 0.0855908 0.5385573), wk = 0.0026738 k( 349) = ( -0.1527778 0.0941499 0.5385573), wk = 0.0026738 k( 350) = ( -0.1666667 0.1027090 0.5385573), wk = 0.0026738 k( 351) = ( -0.1805556 0.1112681 0.5385573), wk = 0.0026738 k( 352) = ( -0.1944444 0.1198272 0.5385573), wk = 0.0026738 k( 353) = ( -0.2083333 0.1283863 0.5385573), wk = 0.0026738 k( 354) = ( -0.2222222 0.1369454 0.5385573), wk = 0.0026738 k( 355) = ( -0.2361111 0.1455044 0.5385573), wk = 0.0026738 k( 356) = ( -0.2500000 0.1540635 0.5385573), wk = 0.0026738 k( 357) = ( -0.2638889 0.1626226 0.5385573), wk = 0.0026738 k( 358) = ( -0.2777778 0.1711817 0.5385573), wk = 0.0026738 k( 359) = ( -0.2916667 0.1797408 0.5385573), wk = 0.0026738 k( 360) = ( -0.3055556 0.1882999 0.5385573), wk = 0.0026738 k( 361) = ( -0.3194444 0.1968589 0.5385573), wk = 0.0026738 k( 362) = ( -0.3333333 0.2054180 0.5385573), wk = 0.0026738 k( 363) = ( -0.3472222 0.2139771 0.5385573), wk = 0.0026738 k( 364) = ( -0.3611111 0.2225362 0.5385573), wk = 0.0026738 k( 365) = ( -0.3750000 0.2310953 0.5385573), wk = 0.0026738 k( 366) = ( -0.3888889 0.2396544 0.5385573), wk = 0.0026738 k( 367) = ( -0.4027778 0.2482135 0.5385573), wk = 0.0026738 k( 368) = ( -0.4166667 0.2567725 0.5385573), wk = 0.0026738 k( 369) = ( -0.4305556 0.2653316 0.5385573), wk = 0.0026738 k( 370) = ( -0.4444444 0.2738907 0.5385573), wk = 0.0026738 k( 371) = ( -0.4583333 0.2824498 0.5385573), wk = 0.0026738 k( 372) = ( -0.4722222 0.2910089 0.5385573), wk = 0.0026738 k( 373) = ( -0.4861111 0.2995680 0.5385573), wk = 0.0026738 k( 374) = ( -0.5000000 0.3081270 0.5385573), wk = 0.0026738 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0086236 0.0086236 -0.0000000), wk = 0.0026738 k( 3) = ( 0.0172471 0.0172471 0.0000000), wk = 0.0026738 k( 4) = ( 0.0258707 0.0258707 0.0000000), wk = 0.0026738 k( 5) = ( 0.0344942 0.0344942 0.0000000), wk = 0.0026738 k( 6) = ( 0.0431178 0.0431178 0.0000000), wk = 0.0026738 k( 7) = ( 0.0517413 0.0517413 0.0000000), wk = 0.0026738 k( 8) = ( 0.0603649 0.0603649 0.0000000), wk = 0.0026738 k( 9) = ( 0.0689885 0.0689885 0.0000000), wk = 0.0026738 k( 10) = ( 0.0776120 0.0776120 0.0000000), wk = 0.0026738 k( 11) = ( 0.0862356 0.0862356 0.0000000), wk = 0.0026738 k( 12) = ( 0.0948591 0.0948591 0.0000000), wk = 0.0026738 k( 13) = ( 0.1034827 0.1034827 0.0000000), wk = 0.0026738 k( 14) = ( 0.1121062 0.1121062 0.0000000), wk = 0.0026738 k( 15) = ( 0.1207298 0.1207298 0.0000000), wk = 0.0026738 k( 16) = ( 0.1293534 0.1293534 0.0000000), wk = 0.0026738 k( 17) = ( 0.1379769 0.1379769 0.0000000), wk = 0.0026738 k( 18) = ( 0.1466005 0.1466005 0.0000000), wk = 0.0026738 k( 19) = ( 0.1552240 0.1552240 -0.0000000), wk = 0.0026738 k( 20) = ( 0.1638476 0.1638476 -0.0000000), wk = 0.0026738 k( 21) = ( 0.1724711 0.1724711 0.0000000), wk = 0.0026738 k( 22) = ( 0.1810947 0.1810947 0.0000000), wk = 0.0026738 k( 23) = ( 0.1897183 0.1897182 0.0000000), wk = 0.0026738 k( 24) = ( 0.1983418 0.1983418 0.0000000), wk = 0.0026738 k( 25) = ( 0.2069654 0.2069654 0.0000000), wk = 0.0026738 k( 26) = ( 0.2155889 0.2155889 0.0000000), wk = 0.0026738 k( 27) = ( 0.2242125 0.2242125 0.0000000), wk = 0.0026738 k( 28) = ( 0.2328360 0.2328360 0.0000000), wk = 0.0026738 k( 29) = ( 0.2414596 0.2414596 0.0000000), wk = 0.0026738 k( 30) = ( 0.2500831 0.2500832 0.0000000), wk = 0.0026738 k( 31) = ( 0.2587067 0.2587067 0.0000000), wk = 0.0026738 k( 32) = ( 0.2673303 0.2673303 -0.0000000), wk = 0.0026738 k( 33) = ( 0.2759538 0.2759538 0.0000000), wk = 0.0026738 k( 34) = ( 0.2845774 0.2845774 0.0000000), wk = 0.0026738 k( 35) = ( 0.2932009 0.2932009 0.0000000), wk = 0.0026738 k( 36) = ( 0.3018245 0.3018245 0.0000000), wk = 0.0026738 k( 37) = ( 0.3104480 0.3104480 -0.0000000), wk = 0.0026738 k( 38) = ( 0.3190716 0.3190716 0.0000000), wk = 0.0026738 k( 39) = ( 0.3276952 0.3276952 -0.0000000), wk = 0.0026738 k( 40) = ( 0.3363187 0.3363187 0.0000000), wk = 0.0026738 k( 41) = ( 0.3449423 0.3449423 0.0000000), wk = 0.0026738 k( 42) = ( 0.3449423 0.3449423 0.0000000), wk = 0.0026738 k( 43) = ( 0.3285165 0.3523260 0.0000000), wk = 0.0026738 k( 44) = ( 0.3120906 0.3597097 -0.0000000), wk = 0.0026738 k( 45) = ( 0.2956648 0.3670934 0.0000000), wk = 0.0026738 k( 46) = ( 0.2792390 0.3744771 0.0000000), wk = 0.0026738 k( 47) = ( 0.2628132 0.3818608 0.0000000), wk = 0.0026738 k( 48) = ( 0.2463873 0.3892445 0.0000000), wk = 0.0026738 k( 49) = ( 0.2299615 0.3966282 -0.0000000), wk = 0.0026738 k( 50) = ( 0.2135357 0.4040119 -0.0000000), wk = 0.0026738 k( 51) = ( 0.1971099 0.4113956 0.0000000), wk = 0.0026738 k( 52) = ( 0.1806841 0.4187793 0.0000000), wk = 0.0026738 k( 53) = ( 0.1642582 0.4261630 0.0000000), wk = 0.0026738 k( 54) = ( 0.1478324 0.4335467 0.0000000), wk = 0.0026738 k( 55) = ( 0.1314066 0.4409304 -0.0000000), wk = 0.0026738 k( 56) = ( 0.1149808 0.4483141 0.0000000), wk = 0.0026738 k( 57) = ( 0.0985549 0.4556978 0.0000000), wk = 0.0026738 k( 58) = ( 0.0821291 0.4630815 0.0000000), wk = 0.0026738 k( 59) = ( 0.0657033 0.4704652 0.0000000), wk = 0.0026738 k( 60) = ( 0.0492775 0.4778489 0.0000000), wk = 0.0026738 k( 61) = ( 0.0328517 0.4852326 0.0000000), wk = 0.0026738 k( 62) = ( 0.0164258 0.4926163 0.0000000), wk = 0.0026738 k( 63) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026738 k( 64) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026738 k( 65) = ( 0.0000000 0.5000000 0.0151515), wk = 0.0026738 k( 66) = ( 0.0000000 0.5000000 0.0303030), wk = 0.0026738 k( 67) = ( 0.0000000 0.5000000 0.0454545), wk = 0.0026738 k( 68) = ( 0.0000000 0.5000000 0.0606061), wk = 0.0026738 k( 69) = ( 0.0000000 0.5000000 0.0757576), wk = 0.0026738 k( 70) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0026738 k( 71) = ( 0.0000000 0.5000000 0.1060606), wk = 0.0026738 k( 72) = ( 0.0000000 0.5000000 0.1212121), wk = 0.0026738 k( 73) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0026738 k( 74) = ( 0.0000000 0.5000000 0.1515151), wk = 0.0026738 k( 75) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0026738 k( 76) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0026738 k( 77) = ( 0.0000000 0.5000000 0.1969697), wk = 0.0026738 k( 78) = ( 0.0000000 0.5000000 0.2121212), wk = 0.0026738 k( 79) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0026738 k( 80) = ( 0.0000000 0.5000000 0.2424242), wk = 0.0026738 k( 81) = ( 0.0000000 0.5000000 0.2575758), wk = 0.0026738 k( 82) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0026738 k( 83) = ( 0.0000000 0.5000000 0.2878788), wk = 0.0026738 k( 84) = ( 0.0000000 0.5000000 0.3030303), wk = 0.0026738 k( 85) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0026738 k( 86) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0026738 k( 87) = ( 0.0000000 0.5000000 0.3484848), wk = 0.0026738 k( 88) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0026738 k( 89) = ( 0.0000000 0.5000000 0.3787879), wk = 0.0026738 k( 90) = ( 0.0000000 0.5000000 0.3939394), wk = 0.0026738 k( 91) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0026738 k( 92) = ( 0.0000000 0.5000000 0.4242424), wk = 0.0026738 k( 93) = ( 0.0000000 0.5000000 0.4393939), wk = 0.0026738 k( 94) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0026738 k( 95) = ( 0.0000000 0.5000000 0.4696970), wk = 0.0026738 k( 96) = ( 0.0000000 0.5000000 0.4848485), wk = 0.0026738 k( 97) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026738 k( 98) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026738 k( 99) = ( 0.0164258 0.4926163 0.5000000), wk = 0.0026738 k( 100) = ( 0.0328517 0.4852326 0.5000000), wk = 0.0026738 k( 101) = ( 0.0492775 0.4778489 0.5000000), wk = 0.0026738 k( 102) = ( 0.0657033 0.4704652 0.5000000), wk = 0.0026738 k( 103) = ( 0.0821291 0.4630815 0.5000000), wk = 0.0026738 k( 104) = ( 0.0985549 0.4556978 0.5000000), wk = 0.0026738 k( 105) = ( 0.1149808 0.4483141 0.5000000), wk = 0.0026738 k( 106) = ( 0.1314066 0.4409304 0.5000000), wk = 0.0026738 k( 107) = ( 0.1478324 0.4335467 0.5000000), wk = 0.0026738 k( 108) = ( 0.1642582 0.4261630 0.5000000), wk = 0.0026738 k( 109) = ( 0.1806841 0.4187793 0.5000000), wk = 0.0026738 k( 110) = ( 0.1971099 0.4113956 0.5000000), wk = 0.0026738 k( 111) = ( 0.2135357 0.4040119 0.5000000), wk = 0.0026738 k( 112) = ( 0.2299615 0.3966282 0.5000000), wk = 0.0026738 k( 113) = ( 0.2463873 0.3892445 0.5000000), wk = 0.0026738 k( 114) = ( 0.2628132 0.3818608 0.5000000), wk = 0.0026738 k( 115) = ( 0.2792390 0.3744771 0.5000000), wk = 0.0026738 k( 116) = ( 0.2956648 0.3670934 0.5000000), wk = 0.0026738 k( 117) = ( 0.3120906 0.3597097 0.5000000), wk = 0.0026738 k( 118) = ( 0.3285165 0.3523260 0.5000000), wk = 0.0026738 k( 119) = ( 0.3449423 0.3449423 0.5000000), wk = 0.0026738 k( 120) = ( 0.3449423 0.3449423 0.5000000), wk = 0.0026738 k( 121) = ( 0.3363187 0.3363187 0.5000000), wk = 0.0026738 k( 122) = ( 0.3276952 0.3276952 0.5000000), wk = 0.0026738 k( 123) = ( 0.3190716 0.3190716 0.5000000), wk = 0.0026738 k( 124) = ( 0.3104480 0.3104480 0.5000000), wk = 0.0026738 k( 125) = ( 0.3018245 0.3018245 0.5000000), wk = 0.0026738 k( 126) = ( 0.2932009 0.2932009 0.5000000), wk = 0.0026738 k( 127) = ( 0.2845774 0.2845774 0.5000000), wk = 0.0026738 k( 128) = ( 0.2759538 0.2759538 0.5000000), wk = 0.0026738 k( 129) = ( 0.2673303 0.2673303 0.5000000), wk = 0.0026738 k( 130) = ( 0.2587067 0.2587067 0.5000000), wk = 0.0026738 k( 131) = ( 0.2500831 0.2500832 0.5000000), wk = 0.0026738 k( 132) = ( 0.2414596 0.2414596 0.5000000), wk = 0.0026738 k( 133) = ( 0.2328360 0.2328360 0.5000000), wk = 0.0026738 k( 134) = ( 0.2242125 0.2242125 0.5000000), wk = 0.0026738 k( 135) = ( 0.2155889 0.2155889 0.5000000), wk = 0.0026738 k( 136) = ( 0.2069654 0.2069654 0.5000000), wk = 0.0026738 k( 137) = ( 0.1983418 0.1983418 0.5000000), wk = 0.0026738 k( 138) = ( 0.1897183 0.1897182 0.5000000), wk = 0.0026738 k( 139) = ( 0.1810947 0.1810947 0.5000000), wk = 0.0026738 k( 140) = ( 0.1724711 0.1724711 0.5000000), wk = 0.0026738 k( 141) = ( 0.1638476 0.1638476 0.5000000), wk = 0.0026738 k( 142) = ( 0.1552240 0.1552240 0.5000000), wk = 0.0026738 k( 143) = ( 0.1466005 0.1466005 0.5000000), wk = 0.0026738 k( 144) = ( 0.1379769 0.1379769 0.5000000), wk = 0.0026738 k( 145) = ( 0.1293534 0.1293534 0.5000000), wk = 0.0026738 k( 146) = ( 0.1207298 0.1207298 0.5000000), wk = 0.0026738 k( 147) = ( 0.1121062 0.1121062 0.5000000), wk = 0.0026738 k( 148) = ( 0.1034827 0.1034827 0.5000000), wk = 0.0026738 k( 149) = ( 0.0948591 0.0948591 0.5000000), wk = 0.0026738 k( 150) = ( 0.0862356 0.0862356 0.5000000), wk = 0.0026738 k( 151) = ( 0.0776120 0.0776120 0.5000000), wk = 0.0026738 k( 152) = ( 0.0689885 0.0689885 0.5000000), wk = 0.0026738 k( 153) = ( 0.0603649 0.0603649 0.5000000), wk = 0.0026738 k( 154) = ( 0.0517413 0.0517413 0.5000000), wk = 0.0026738 k( 155) = ( 0.0431178 0.0431178 0.5000000), wk = 0.0026738 k( 156) = ( 0.0344942 0.0344942 0.5000000), wk = 0.0026738 k( 157) = ( 0.0258707 0.0258707 0.5000000), wk = 0.0026738 k( 158) = ( 0.0172471 0.0172471 0.5000000), wk = 0.0026738 k( 159) = ( 0.0086236 0.0086236 0.5000000), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.3484848), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0026738 k( 179) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0026738 k( 180) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0026738 k( 181) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0026738 k( 182) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0026738 k( 183) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026738 k( 184) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0026738 k( 185) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0026738 k( 186) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0026738 k( 187) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0026738 k( 188) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0026738 k( 189) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0026738 k( 190) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0026738 k( 191) = ( 0.0000000 0.0000000 0.0454545), wk = 0.0026738 k( 192) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0026738 k( 193) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0026738 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 196) = ( -0.0138889 0.0138889 -0.0000000), wk = 0.0026738 k( 197) = ( -0.0277778 0.0277778 -0.0000000), wk = 0.0026738 k( 198) = ( -0.0416667 0.0416667 -0.0000000), wk = 0.0026738 k( 199) = ( -0.0555556 0.0555556 -0.0000000), wk = 0.0026738 k( 200) = ( -0.0694444 0.0694444 0.0000000), wk = 0.0026738 k( 201) = ( -0.0833333 0.0833333 -0.0000000), wk = 0.0026738 k( 202) = ( -0.0972222 0.0972222 0.0000000), wk = 0.0026738 k( 203) = ( -0.1111111 0.1111111 -0.0000000), wk = 0.0026738 k( 204) = ( -0.1250000 0.1250000 0.0000000), wk = 0.0026738 k( 205) = ( -0.1388889 0.1388889 -0.0000000), wk = 0.0026738 k( 206) = ( -0.1527778 0.1527778 0.0000000), wk = 0.0026738 k( 207) = ( -0.1666667 0.1666667 0.0000000), wk = 0.0026738 k( 208) = ( -0.1805556 0.1805556 -0.0000000), wk = 0.0026738 k( 209) = ( -0.1944444 0.1944444 0.0000000), wk = 0.0026738 k( 210) = ( -0.2083333 0.2083333 -0.0000000), wk = 0.0026738 k( 211) = ( -0.2222222 0.2222222 -0.0000000), wk = 0.0026738 k( 212) = ( -0.2361111 0.2361111 -0.0000000), wk = 0.0026738 k( 213) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0026738 k( 214) = ( -0.2638889 0.2638889 0.0000000), wk = 0.0026738 k( 215) = ( -0.2777778 0.2777778 -0.0000000), wk = 0.0026738 k( 216) = ( -0.2916667 0.2916667 -0.0000000), wk = 0.0026738 k( 217) = ( -0.3055556 0.3055556 0.0000000), wk = 0.0026738 k( 218) = ( -0.3194444 0.3194444 -0.0000000), wk = 0.0026738 k( 219) = ( -0.3333333 0.3333333 0.0000000), wk = 0.0026738 k( 220) = ( -0.3472222 0.3472222 -0.0000000), wk = 0.0026738 k( 221) = ( -0.3611111 0.3611111 0.0000000), wk = 0.0026738 k( 222) = ( -0.3750000 0.3750000 0.0000000), wk = 0.0026738 k( 223) = ( -0.3888889 0.3888889 0.0000000), wk = 0.0026738 k( 224) = ( -0.4027778 0.4027778 -0.0000000), wk = 0.0026738 k( 225) = ( -0.4166667 0.4166667 -0.0000000), wk = 0.0026738 k( 226) = ( -0.4305556 0.4305556 0.0000000), wk = 0.0026738 k( 227) = ( -0.4444444 0.4444444 -0.0000000), wk = 0.0026738 k( 228) = ( -0.4583333 0.4583333 0.0000000), wk = 0.0026738 k( 229) = ( -0.4722222 0.4722222 -0.0000000), wk = 0.0026738 k( 230) = ( -0.4861111 0.4861111 -0.0000000), wk = 0.0026738 k( 231) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026738 k( 232) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026738 k( 233) = ( -0.4913857 0.5086143 -0.0000000), wk = 0.0026738 k( 234) = ( -0.4827714 0.5172286 -0.0000000), wk = 0.0026738 k( 235) = ( -0.4741571 0.5258430 -0.0000000), wk = 0.0026738 k( 236) = ( -0.4655427 0.5344573 0.0000000), wk = 0.0026738 k( 237) = ( -0.4569284 0.5430716 0.0000000), wk = 0.0026738 k( 238) = ( -0.4483141 0.5516859 -0.0000000), wk = 0.0026738 k( 239) = ( -0.4396998 0.5603002 0.0000000), wk = 0.0026738 k( 240) = ( -0.4310855 0.5689145 -0.0000000), wk = 0.0026738 k( 241) = ( -0.4224711 0.5775289 0.0000000), wk = 0.0026738 k( 242) = ( -0.4138568 0.5861432 0.0000000), wk = 0.0026738 k( 243) = ( -0.4052425 0.5947575 -0.0000000), wk = 0.0026738 k( 244) = ( -0.3966282 0.6033718 0.0000000), wk = 0.0026738 k( 245) = ( -0.3880139 0.6119861 0.0000000), wk = 0.0026738 k( 246) = ( -0.3793995 0.6206005 -0.0000000), wk = 0.0026738 k( 247) = ( -0.3707852 0.6292148 0.0000000), wk = 0.0026738 k( 248) = ( -0.3621709 0.6378291 -0.0000000), wk = 0.0026738 k( 249) = ( -0.3535566 0.6464434 -0.0000000), wk = 0.0026738 k( 250) = ( -0.3449423 0.6550577 0.0000000), wk = 0.0026738 k( 251) = ( -0.3449423 0.6550577 0.0000000), wk = 0.0026738 k( 252) = ( -0.3449423 0.6550577 0.0151515), wk = 0.0026738 k( 253) = ( -0.3449423 0.6550577 0.0303030), wk = 0.0026738 k( 254) = ( -0.3449423 0.6550577 0.0454546), wk = 0.0026738 k( 255) = ( -0.3449423 0.6550577 0.0606061), wk = 0.0026738 k( 256) = ( -0.3449423 0.6550577 0.0757576), wk = 0.0026738 k( 257) = ( -0.3449423 0.6550577 0.0909091), wk = 0.0026738 k( 258) = ( -0.3449423 0.6550577 0.1060606), wk = 0.0026738 k( 259) = ( -0.3449423 0.6550577 0.1212121), wk = 0.0026738 k( 260) = ( -0.3449423 0.6550577 0.1363636), wk = 0.0026738 k( 261) = ( -0.3449423 0.6550577 0.1515151), wk = 0.0026738 k( 262) = ( -0.3449423 0.6550577 0.1666667), wk = 0.0026738 k( 263) = ( -0.3449423 0.6550577 0.1818182), wk = 0.0026738 k( 264) = ( -0.3449423 0.6550577 0.1969697), wk = 0.0026738 k( 265) = ( -0.3449423 0.6550577 0.2121212), wk = 0.0026738 k( 266) = ( -0.3449423 0.6550577 0.2272727), wk = 0.0026738 k( 267) = ( -0.3449423 0.6550577 0.2424242), wk = 0.0026738 k( 268) = ( -0.3449423 0.6550577 0.2575758), wk = 0.0026738 k( 269) = ( -0.3449423 0.6550577 0.2727273), wk = 0.0026738 k( 270) = ( -0.3449423 0.6550577 0.2878788), wk = 0.0026738 k( 271) = ( -0.3449423 0.6550577 0.3030303), wk = 0.0026738 k( 272) = ( -0.3449423 0.6550577 0.3181818), wk = 0.0026738 k( 273) = ( -0.3449423 0.6550577 0.3333333), wk = 0.0026738 k( 274) = ( -0.3449423 0.6550577 0.3484848), wk = 0.0026738 k( 275) = ( -0.3449423 0.6550577 0.3636364), wk = 0.0026738 k( 276) = ( -0.3449423 0.6550577 0.3787879), wk = 0.0026738 k( 277) = ( -0.3449423 0.6550577 0.3939394), wk = 0.0026738 k( 278) = ( -0.3449423 0.6550577 0.4090909), wk = 0.0026738 k( 279) = ( -0.3449423 0.6550577 0.4242424), wk = 0.0026738 k( 280) = ( -0.3449423 0.6550577 0.4393939), wk = 0.0026738 k( 281) = ( -0.3449423 0.6550577 0.4545455), wk = 0.0026738 k( 282) = ( -0.3449423 0.6550577 0.4696970), wk = 0.0026738 k( 283) = ( -0.3449423 0.6550577 0.4848485), wk = 0.0026738 k( 284) = ( -0.3449423 0.6550577 0.5000000), wk = 0.0026738 k( 285) = ( -0.3449423 0.6550577 0.5000000), wk = 0.0026738 k( 286) = ( -0.3535566 0.6464434 0.5000000), wk = 0.0026738 k( 287) = ( -0.3621709 0.6378291 0.5000000), wk = 0.0026738 k( 288) = ( -0.3707852 0.6292148 0.5000000), wk = 0.0026738 k( 289) = ( -0.3793995 0.6206005 0.5000000), wk = 0.0026738 k( 290) = ( -0.3880139 0.6119861 0.5000000), wk = 0.0026738 k( 291) = ( -0.3966282 0.6033718 0.5000000), wk = 0.0026738 k( 292) = ( -0.4052425 0.5947575 0.5000000), wk = 0.0026738 k( 293) = ( -0.4138568 0.5861432 0.5000000), wk = 0.0026738 k( 294) = ( -0.4224711 0.5775289 0.5000000), wk = 0.0026738 k( 295) = ( -0.4310855 0.5689145 0.5000000), wk = 0.0026738 k( 296) = ( -0.4396998 0.5603002 0.5000000), wk = 0.0026738 k( 297) = ( -0.4483141 0.5516859 0.5000000), wk = 0.0026738 k( 298) = ( -0.4569284 0.5430716 0.5000000), wk = 0.0026738 k( 299) = ( -0.4655427 0.5344573 0.5000000), wk = 0.0026738 k( 300) = ( -0.4741571 0.5258430 0.5000000), wk = 0.0026738 k( 301) = ( -0.4827714 0.5172286 0.5000000), wk = 0.0026738 k( 302) = ( -0.4913857 0.5086143 0.5000000), wk = 0.0026738 k( 303) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738 k( 304) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738 k( 305) = ( -0.5000000 0.5000000 0.4848485), wk = 0.0026738 k( 306) = ( -0.5000000 0.5000000 0.4696970), wk = 0.0026738 k( 307) = ( -0.5000000 0.5000000 0.4545454), wk = 0.0026738 k( 308) = ( -0.5000000 0.5000000 0.4393939), wk = 0.0026738 k( 309) = ( -0.5000000 0.5000000 0.4242424), wk = 0.0026738 k( 310) = ( -0.5000000 0.5000000 0.4090909), wk = 0.0026738 k( 311) = ( -0.5000000 0.5000000 0.3939394), wk = 0.0026738 k( 312) = ( -0.5000000 0.5000000 0.3787879), wk = 0.0026738 k( 313) = ( -0.5000000 0.5000000 0.3636364), wk = 0.0026738 k( 314) = ( -0.5000000 0.5000000 0.3484848), wk = 0.0026738 k( 315) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0026738 k( 316) = ( -0.5000000 0.5000000 0.3181818), wk = 0.0026738 k( 317) = ( -0.5000000 0.5000000 0.3030303), wk = 0.0026738 k( 318) = ( -0.5000000 0.5000000 0.2878788), wk = 0.0026738 k( 319) = ( -0.5000000 0.5000000 0.2727273), wk = 0.0026738 k( 320) = ( -0.5000000 0.5000000 0.2575758), wk = 0.0026738 k( 321) = ( -0.5000000 0.5000000 0.2424242), wk = 0.0026738 k( 322) = ( -0.5000000 0.5000000 0.2272727), wk = 0.0026738 k( 323) = ( -0.5000000 0.5000000 0.2121212), wk = 0.0026738 k( 324) = ( -0.5000000 0.5000000 0.1969697), wk = 0.0026738 k( 325) = ( -0.5000000 0.5000000 0.1818182), wk = 0.0026738 k( 326) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0026738 k( 327) = ( -0.5000000 0.5000000 0.1515151), wk = 0.0026738 k( 328) = ( -0.5000000 0.5000000 0.1363636), wk = 0.0026738 k( 329) = ( -0.5000000 0.5000000 0.1212121), wk = 0.0026738 k( 330) = ( -0.5000000 0.5000000 0.1060606), wk = 0.0026738 k( 331) = ( -0.5000000 0.5000000 0.0909091), wk = 0.0026738 k( 332) = ( -0.5000000 0.5000000 0.0757576), wk = 0.0026738 k( 333) = ( -0.5000000 0.5000000 0.0606061), wk = 0.0026738 k( 334) = ( -0.5000000 0.5000000 0.0454545), wk = 0.0026738 k( 335) = ( -0.5000000 0.5000000 0.0303030), wk = 0.0026738 k( 336) = ( -0.5000000 0.5000000 0.0151515), wk = 0.0026738 k( 337) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026738 k( 338) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 339) = ( -0.0138889 0.0138889 0.5000000), wk = 0.0026738 k( 340) = ( -0.0277778 0.0277778 0.5000000), wk = 0.0026738 k( 341) = ( -0.0416667 0.0416667 0.5000000), wk = 0.0026738 k( 342) = ( -0.0555556 0.0555556 0.5000000), wk = 0.0026738 k( 343) = ( -0.0694444 0.0694444 0.5000000), wk = 0.0026738 k( 344) = ( -0.0833333 0.0833333 0.5000000), wk = 0.0026738 k( 345) = ( -0.0972222 0.0972222 0.5000000), wk = 0.0026738 k( 346) = ( -0.1111111 0.1111111 0.5000000), wk = 0.0026738 k( 347) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0026738 k( 348) = ( -0.1388889 0.1388889 0.5000000), wk = 0.0026738 k( 349) = ( -0.1527778 0.1527778 0.5000000), wk = 0.0026738 k( 350) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0026738 k( 351) = ( -0.1805556 0.1805556 0.5000000), wk = 0.0026738 k( 352) = ( -0.1944444 0.1944444 0.5000000), wk = 0.0026738 k( 353) = ( -0.2083333 0.2083333 0.5000000), wk = 0.0026738 k( 354) = ( -0.2222222 0.2222222 0.5000000), wk = 0.0026738 k( 355) = ( -0.2361111 0.2361111 0.5000000), wk = 0.0026738 k( 356) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0026738 k( 357) = ( -0.2638889 0.2638889 0.5000000), wk = 0.0026738 k( 358) = ( -0.2777778 0.2777778 0.5000000), wk = 0.0026738 k( 359) = ( -0.2916667 0.2916667 0.5000000), wk = 0.0026738 k( 360) = ( -0.3055556 0.3055556 0.5000000), wk = 0.0026738 k( 361) = ( -0.3194444 0.3194444 0.5000000), wk = 0.0026738 k( 362) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0026738 k( 363) = ( -0.3472222 0.3472222 0.5000000), wk = 0.0026738 k( 364) = ( -0.3611111 0.3611111 0.5000000), wk = 0.0026738 k( 365) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0026738 k( 366) = ( -0.3888889 0.3888889 0.5000000), wk = 0.0026738 k( 367) = ( -0.4027778 0.4027778 0.5000000), wk = 0.0026738 k( 368) = ( -0.4166667 0.4166667 0.5000000), wk = 0.0026738 k( 369) = ( -0.4305556 0.4305556 0.5000000), wk = 0.0026738 k( 370) = ( -0.4444444 0.4444444 0.5000000), wk = 0.0026738 k( 371) = ( -0.4583333 0.4583333 0.5000000), wk = 0.0026738 k( 372) = ( -0.4722222 0.4722222 0.5000000), wk = 0.0026738 k( 373) = ( -0.4861111 0.4861111 0.5000000), wk = 0.0026738 k( 374) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738 Dense grid: 77303 G-vectors FFT dimensions: ( 60, 60, 54) Smooth grid: 34161 G-vectors FFT dimensions: ( 45, 45, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 194, 58) NL pseudopotentials 0.33 Mb ( 97, 220) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1610) G-vector shells 0.01 Mb ( 828) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.69 Mb ( 194, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.39 Mb ( 220, 2, 58) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./Si2N2O.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 44.3 secs Computing kpt #: 2 total cpu time spent up to now is 48.0 secs Computing kpt #: 3 total cpu time spent up to now is 51.4 secs Computing kpt #: 4 total cpu time spent up to now is 54.9 secs Computing kpt #: 5 total cpu time spent up to now is 58.0 secs Computing kpt #: 6 total cpu time spent up to now is 61.0 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 66.6 secs Computing kpt #: 9 total cpu time spent up to now is 69.2 secs Computing kpt #: 10 total cpu time spent up to now is 71.7 secs Computing kpt #: 11 total cpu time spent up to now is 75.2 secs Computing kpt #: 12 total cpu time spent up to now is 78.6 secs Computing kpt #: 13 total cpu time spent up to now is 80.9 secs Computing kpt #: 14 total cpu time spent up to now is 83.2 secs Computing kpt #: 15 total cpu time spent up to now is 85.7 secs Computing kpt #: 16 total cpu time spent up to now is 88.0 secs Computing kpt #: 17 total cpu time spent up to now is 90.5 secs Computing kpt #: 18 total cpu time spent up to now is 93.2 secs Computing kpt #: 19 total cpu time spent up to now is 96.2 secs Computing kpt #: 20 total cpu time spent up to now is 99.3 secs Computing kpt #: 21 total cpu time spent up to now is 102.4 secs Computing kpt #: 22 total cpu time spent up to now is 105.4 secs Computing kpt #: 23 total cpu time spent up to now is 108.7 secs Computing kpt #: 24 total cpu time spent up to now is 112.4 secs Computing kpt #: 25 total cpu time spent up to now is 116.0 secs Computing kpt #: 26 total cpu time spent up to now is 119.0 secs Computing kpt #: 27 total cpu time spent up to now is 122.0 secs Computing kpt #: 28 total cpu time spent up to now is 125.1 secs Computing kpt #: 29 total cpu time spent up to now is 128.1 secs Computing kpt #: 30 total cpu time spent up to now is 131.1 secs Computing kpt #: 31 total cpu time spent up to now is 133.7 secs Computing kpt #: 32 total cpu time spent up to now is 136.5 secs Computing kpt #: 33 total cpu time spent up to now is 139.4 secs Computing kpt #: 34 total cpu time spent up to now is 142.5 secs Computing kpt #: 35 total cpu time spent up to now is 145.5 secs Computing kpt #: 36 total cpu time spent up to now is 149.3 secs Computing kpt #: 37 total cpu time spent up to now is 153.4 secs Computing kpt #: 38 total cpu time spent up to now is 156.7 secs Computing kpt #: 39 total cpu time spent up to now is 159.9 secs Computing kpt #: 40 total cpu time spent up to now is 163.7 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 169.4 secs Computing kpt #: 42 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 174.9 secs Computing kpt #: 43 total cpu time spent up to now is 178.8 secs Computing kpt #: 44 total cpu time spent up to now is 182.4 secs Computing kpt #: 45 total cpu time spent up to now is 185.8 secs Computing kpt #: 46 total cpu time spent up to now is 189.3 secs Computing kpt #: 47 total cpu time spent up to now is 192.9 secs Computing kpt #: 48 total cpu time spent up to now is 196.7 secs Computing kpt #: 49 total cpu time spent up to now is 201.4 secs Computing kpt #: 50 total cpu time spent up to now is 206.4 secs Computing kpt #: 51 total cpu time spent up to now is 210.5 secs Computing kpt #: 52 total cpu time spent up to now is 214.9 secs Computing kpt #: 53 total cpu time spent up to now is 218.6 secs Computing kpt #: 54 total cpu time spent up to now is 222.0 secs Computing kpt #: 55 total cpu time spent up to now is 225.0 secs Computing kpt #: 56 total cpu time spent up to now is 228.0 secs Computing kpt #: 57 total cpu time spent up to now is 230.9 secs Computing kpt #: 58 total cpu time spent up to now is 233.9 secs Computing kpt #: 59 total cpu time spent up to now is 236.7 secs Computing kpt #: 60 total cpu time spent up to now is 239.4 secs Computing kpt #: 61 total cpu time spent up to now is 242.3 secs Computing kpt #: 62 total cpu time spent up to now is 244.8 secs Computing kpt #: 63 total cpu time spent up to now is 247.4 secs Computing kpt #: 64 total cpu time spent up to now is 250.1 secs Computing kpt #: 65 total cpu time spent up to now is 252.7 secs Computing kpt #: 66 total cpu time spent up to now is 255.3 secs Computing kpt #: 67 total cpu time spent up to now is 257.9 secs Computing kpt #: 68 total cpu time spent up to now is 260.5 secs Computing kpt #: 69 total cpu time spent up to now is 263.2 secs Computing kpt #: 70 total cpu time spent up to now is 266.3 secs Computing kpt #: 71 total cpu time spent up to now is 268.9 secs Computing kpt #: 72 total cpu time spent up to now is 271.8 secs Computing kpt #: 73 total cpu time spent up to now is 275.2 secs Computing kpt #: 74 total cpu time spent up to now is 278.1 secs Computing kpt #: 75 total cpu time spent up to now is 281.6 secs Computing kpt #: 76 total cpu time spent up to now is 284.7 secs Computing kpt #: 77 total cpu time spent up to now is 288.2 secs Computing kpt #: 78 total cpu time spent up to now is 292.2 secs Computing kpt #: 79 total cpu time spent up to now is 296.4 secs Computing kpt #: 80 total cpu time spent up to now is 300.9 secs Computing kpt #: 81 total cpu time spent up to now is 305.9 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 311.2 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 316.7 secs Computing kpt #: 84 total cpu time spent up to now is 321.7 secs Computing kpt #: 85 total cpu time spent up to now is 325.9 secs Computing kpt #: 86 total cpu time spent up to now is 329.4 secs Computing kpt #: 87 total cpu time spent up to now is 332.5 secs Computing kpt #: 88 total cpu time spent up to now is 335.5 secs Computing kpt #: 89 total cpu time spent up to now is 338.5 secs Computing kpt #: 90 total cpu time spent up to now is 341.6 secs Computing kpt #: 91 total cpu time spent up to now is 344.8 secs Computing kpt #: 92 total cpu time spent up to now is 348.1 secs Computing kpt #: 93 total cpu time spent up to now is 350.9 secs Computing kpt #: 94 total cpu time spent up to now is 353.9 secs Computing kpt #: 95 total cpu time spent up to now is 356.7 secs Computing kpt #: 96 total cpu time spent up to now is 359.7 secs Computing kpt #: 97 total cpu time spent up to now is 363.0 secs Computing kpt #: 98 total cpu time spent up to now is 366.1 secs Computing kpt #: 99 total cpu time spent up to now is 369.6 secs Computing kpt #: 100 total cpu time spent up to now is 373.0 secs Computing kpt #: 101 total cpu time spent up to now is 377.6 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 383.4 secs Computing kpt #: 103 total cpu time spent up to now is 386.6 secs Computing kpt #: 104 total cpu time spent up to now is 391.0 secs Computing kpt #: 105 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 396.0 secs Computing kpt #: 106 total cpu time spent up to now is 400.7 secs Computing kpt #: 107 total cpu time spent up to now is 403.9 secs Computing kpt #: 108 total cpu time spent up to now is 406.3 secs Computing kpt #: 109 total cpu time spent up to now is 409.7 secs Computing kpt #: 110 total cpu time spent up to now is 413.1 secs Computing kpt #: 111 total cpu time spent up to now is 416.5 secs Computing kpt #: 112 total cpu time spent up to now is 419.6 secs Computing kpt #: 113 total cpu time spent up to now is 423.4 secs Computing kpt #: 114 total cpu time spent up to now is 426.9 secs Computing kpt #: 115 total cpu time spent up to now is 430.2 secs Computing kpt #: 116 total cpu time spent up to now is 433.4 secs Computing kpt #: 117 total cpu time spent up to now is 435.9 secs Computing kpt #: 118 total cpu time spent up to now is 439.4 secs Computing kpt #: 119 total cpu time spent up to now is 442.9 secs Computing kpt #: 120 total cpu time spent up to now is 446.2 secs Computing kpt #: 121 total cpu time spent up to now is 449.5 secs Computing kpt #: 122 total cpu time spent up to now is 452.9 secs Computing kpt #: 123 total cpu time spent up to now is 456.1 secs Computing kpt #: 124 total cpu time spent up to now is 458.8 secs Computing kpt #: 125 total cpu time spent up to now is 461.8 secs Computing kpt #: 126 total cpu time spent up to now is 465.1 secs Computing kpt #: 127 total cpu time spent up to now is 468.2 secs Computing kpt #: 128 total cpu time spent up to now is 470.6 secs Computing kpt #: 129 total cpu time spent up to now is 473.1 secs Computing kpt #: 130 total cpu time spent up to now is 476.3 secs Computing kpt #: 131 total cpu time spent up to now is 478.7 secs Computing kpt #: 132 total cpu time spent up to now is 482.1 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 487.1 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 492.0 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 497.3 secs Computing kpt #: 136 total cpu time spent up to now is 501.7 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 507.0 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 512.1 secs Computing kpt #: 139 total cpu time spent up to now is 516.3 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 521.4 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 526.4 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 531.2 secs Computing kpt #: 143 total cpu time spent up to now is 534.4 secs Computing kpt #: 144 total cpu time spent up to now is 537.8 secs Computing kpt #: 145 total cpu time spent up to now is 541.3 secs Computing kpt #: 146 total cpu time spent up to now is 546.0 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 551.2 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 556.3 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 561.1 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 566.3 secs Computing kpt #: 151 total cpu time spent up to now is 571.0 secs Computing kpt #: 152 total cpu time spent up to now is 574.4 secs Computing kpt #: 153 total cpu time spent up to now is 577.6 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 582.5 secs Computing kpt #: 155 total cpu time spent up to now is 585.9 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 590.8 secs Computing kpt #: 157 total cpu time spent up to now is 594.4 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 599.1 secs Computing kpt #: 159 total cpu time spent up to now is 601.6 secs Computing kpt #: 160 total cpu time spent up to now is 603.8 secs Computing kpt #: 161 total cpu time spent up to now is 606.0 secs Computing kpt #: 162 total cpu time spent up to now is 609.1 secs Computing kpt #: 163 total cpu time spent up to now is 611.9 secs Computing kpt #: 164 total cpu time spent up to now is 614.7 secs Computing kpt #: 165 total cpu time spent up to now is 617.5 secs Computing kpt #: 166 total cpu time spent up to now is 620.1 secs Computing kpt #: 167 total cpu time spent up to now is 622.9 secs Computing kpt #: 168 total cpu time spent up to now is 625.5 secs Computing kpt #: 169 total cpu time spent up to now is 628.9 secs Computing kpt #: 170 total cpu time spent up to now is 631.7 secs Computing kpt #: 171 total cpu time spent up to now is 634.7 secs Computing kpt #: 172 total cpu time spent up to now is 637.8 secs Computing kpt #: 173 total cpu time spent up to now is 640.8 secs Computing kpt #: 174 total cpu time spent up to now is 644.3 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 649.5 secs Computing kpt #: 176 total cpu time spent up to now is 652.6 secs Computing kpt #: 177 total cpu time spent up to now is 655.7 secs Computing kpt #: 178 total cpu time spent up to now is 658.5 secs Computing kpt #: 179 total cpu time spent up to now is 661.0 secs Computing kpt #: 180 total cpu time spent up to now is 663.5 secs Computing kpt #: 181 total cpu time spent up to now is 666.4 secs Computing kpt #: 182 total cpu time spent up to now is 669.0 secs Computing kpt #: 183 total cpu time spent up to now is 671.6 secs Computing kpt #: 184 total cpu time spent up to now is 675.3 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 681.8 secs Computing kpt #: 186 total cpu time spent up to now is 685.9 secs Computing kpt #: 187 total cpu time spent up to now is 690.9 secs Computing kpt #: 188 total cpu time spent up to now is 694.3 secs Computing kpt #: 189 total cpu time spent up to now is 697.6 secs Computing kpt #: 190 total cpu time spent up to now is 700.2 secs Computing kpt #: 191 total cpu time spent up to now is 703.2 secs Computing kpt #: 192 total cpu time spent up to now is 706.4 secs Computing kpt #: 193 total cpu time spent up to now is 709.6 secs Computing kpt #: 194 total cpu time spent up to now is 713.0 secs Computing kpt #: 195 total cpu time spent up to now is 716.5 secs Computing kpt #: 196 total cpu time spent up to now is 719.7 secs Computing kpt #: 197 total cpu time spent up to now is 723.0 secs Computing kpt #: 198 total cpu time spent up to now is 726.2 secs Computing kpt #: 199 total cpu time spent up to now is 729.2 secs Computing kpt #: 200 total cpu time spent up to now is 732.0 secs Computing kpt #: 201 total cpu time spent up to now is 734.9 secs Computing kpt #: 202 total cpu time spent up to now is 737.5 secs Computing kpt #: 203 total cpu time spent up to now is 740.1 secs Computing kpt #: 204 total cpu time spent up to now is 742.9 secs Computing kpt #: 205 total cpu time spent up to now is 745.9 secs Computing kpt #: 206 total cpu time spent up to now is 748.8 secs Computing kpt #: 207 total cpu time spent up to now is 751.8 secs Computing kpt #: 208 total cpu time spent up to now is 754.8 secs Computing kpt #: 209 total cpu time spent up to now is 757.6 secs Computing kpt #: 210 total cpu time spent up to now is 760.5 secs Computing kpt #: 211 total cpu time spent up to now is 763.8 secs Computing kpt #: 212 total cpu time spent up to now is 766.8 secs Computing kpt #: 213 total cpu time spent up to now is 769.7 secs Computing kpt #: 214 total cpu time spent up to now is 772.6 secs Computing kpt #: 215 total cpu time spent up to now is 775.6 secs Computing kpt #: 216 total cpu time spent up to now is 778.2 secs Computing kpt #: 217 total cpu time spent up to now is 781.0 secs Computing kpt #: 218 total cpu time spent up to now is 784.0 secs Computing kpt #: 219 total cpu time spent up to now is 787.0 secs Computing kpt #: 220 total cpu time spent up to now is 789.8 secs Computing kpt #: 221 total cpu time spent up to now is 792.6 secs Computing kpt #: 222 total cpu time spent up to now is 795.6 secs Computing kpt #: 223 total cpu time spent up to now is 798.5 secs Computing kpt #: 224 total cpu time spent up to now is 801.3 secs Computing kpt #: 225 total cpu time spent up to now is 803.9 secs Computing kpt #: 226 total cpu time spent up to now is 806.8 secs Computing kpt #: 227 total cpu time spent up to now is 809.4 secs Computing kpt #: 228 total cpu time spent up to now is 812.0 secs Computing kpt #: 229 total cpu time spent up to now is 814.9 secs Computing kpt #: 230 total cpu time spent up to now is 817.6 secs Computing kpt #: 231 total cpu time spent up to now is 820.2 secs Computing kpt #: 232 total cpu time spent up to now is 823.1 secs Computing kpt #: 233 total cpu time spent up to now is 826.0 secs Computing kpt #: 234 total cpu time spent up to now is 828.7 secs Computing kpt #: 235 total cpu time spent up to now is 831.5 secs Computing kpt #: 236 total cpu time spent up to now is 834.5 secs Computing kpt #: 237 total cpu time spent up to now is 837.8 secs Computing kpt #: 238 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 843.2 secs Computing kpt #: 239 total cpu time spent up to now is 846.8 secs Computing kpt #: 240 total cpu time spent up to now is 850.3 secs Computing kpt #: 241 total cpu time spent up to now is 853.3 secs Computing kpt #: 242 total cpu time spent up to now is 856.5 secs Computing kpt #: 243 total cpu time spent up to now is 859.9 secs Computing kpt #: 244 total cpu time spent up to now is 862.8 secs Computing kpt #: 245 total cpu time spent up to now is 865.8 secs Computing kpt #: 246 total cpu time spent up to now is 868.7 secs Computing kpt #: 247 total cpu time spent up to now is 871.4 secs Computing kpt #: 248 total cpu time spent up to now is 874.4 secs Computing kpt #: 249 total cpu time spent up to now is 877.9 secs Computing kpt #: 250 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 883.5 secs Computing kpt #: 251 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 889.0 secs Computing kpt #: 252 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 895.0 secs Computing kpt #: 253 total cpu time spent up to now is 899.9 secs Computing kpt #: 254 total cpu time spent up to now is 903.8 secs Computing kpt #: 255 total cpu time spent up to now is 907.6 secs Computing kpt #: 256 total cpu time spent up to now is 910.9 secs Computing kpt #: 257 total cpu time spent up to now is 914.3 secs Computing kpt #: 258 total cpu time spent up to now is 916.9 secs Computing kpt #: 259 total cpu time spent up to now is 920.0 secs Computing kpt #: 260 total cpu time spent up to now is 922.8 secs Computing kpt #: 261 total cpu time spent up to now is 925.3 secs Computing kpt #: 262 total cpu time spent up to now is 928.3 secs Computing kpt #: 263 total cpu time spent up to now is 931.1 secs Computing kpt #: 264 total cpu time spent up to now is 934.4 secs Computing kpt #: 265 total cpu time spent up to now is 937.0 secs Computing kpt #: 266 total cpu time spent up to now is 939.6 secs Computing kpt #: 267 total cpu time spent up to now is 942.4 secs Computing kpt #: 268 total cpu time spent up to now is 945.6 secs Computing kpt #: 269 total cpu time spent up to now is 948.1 secs Computing kpt #: 270 total cpu time spent up to now is 950.6 secs Computing kpt #: 271 total cpu time spent up to now is 953.0 secs Computing kpt #: 272 total cpu time spent up to now is 955.6 secs Computing kpt #: 273 total cpu time spent up to now is 958.0 secs Computing kpt #: 274 total cpu time spent up to now is 960.5 secs Computing kpt #: 275 total cpu time spent up to now is 962.9 secs Computing kpt #: 276 total cpu time spent up to now is 965.7 secs Computing kpt #: 277 total cpu time spent up to now is 968.9 secs Computing kpt #: 278 total cpu time spent up to now is 972.0 secs Computing kpt #: 279 total cpu time spent up to now is 975.7 secs Computing kpt #: 280 total cpu time spent up to now is 979.8 secs Computing kpt #: 281 total cpu time spent up to now is 982.5 secs Computing kpt #: 282 total cpu time spent up to now is 985.2 secs Computing kpt #: 283 total cpu time spent up to now is 988.4 secs Computing kpt #: 284 total cpu time spent up to now is 992.1 secs Computing kpt #: 285 total cpu time spent up to now is 995.4 secs Computing kpt #: 286 total cpu time spent up to now is 999.2 secs Computing kpt #: 287 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1004.2 secs Computing kpt #: 288 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1009.6 secs Computing kpt #: 289 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1015.7 secs Computing kpt #: 290 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1020.7 secs Computing kpt #: 291 total cpu time spent up to now is 1024.2 secs Computing kpt #: 292 total cpu time spent up to now is 1027.4 secs Computing kpt #: 293 total cpu time spent up to now is 1029.7 secs Computing kpt #: 294 total cpu time spent up to now is 1033.0 secs Computing kpt #: 295 total cpu time spent up to now is 1036.4 secs Computing kpt #: 296 total cpu time spent up to now is 1040.3 secs Computing kpt #: 297 total cpu time spent up to now is 1043.8 secs Computing kpt #: 298 total cpu time spent up to now is 1046.6 secs Computing kpt #: 299 total cpu time spent up to now is 1049.4 secs Computing kpt #: 300 total cpu time spent up to now is 1051.9 secs Computing kpt #: 301 total cpu time spent up to now is 1054.2 secs Computing kpt #: 302 total cpu time spent up to now is 1057.4 secs Computing kpt #: 303 total cpu time spent up to now is 1061.0 secs Computing kpt #: 304 total cpu time spent up to now is 1063.3 secs Computing kpt #: 305 total cpu time spent up to now is 1065.9 secs Computing kpt #: 306 total cpu time spent up to now is 1068.9 secs Computing kpt #: 307 total cpu time spent up to now is 1071.7 secs Computing kpt #: 308 total cpu time spent up to now is 1074.2 secs Computing kpt #: 309 total cpu time spent up to now is 1077.1 secs Computing kpt #: 310 total cpu time spent up to now is 1080.1 secs Computing kpt #: 311 total cpu time spent up to now is 1082.9 secs Computing kpt #: 312 total cpu time spent up to now is 1085.4 secs Computing kpt #: 313 total cpu time spent up to now is 1087.7 secs Computing kpt #: 314 total cpu time spent up to now is 1090.2 secs Computing kpt #: 315 total cpu time spent up to now is 1092.8 secs Computing kpt #: 316 total cpu time spent up to now is 1095.4 secs Computing kpt #: 317 total cpu time spent up to now is 1097.9 secs Computing kpt #: 318 total cpu time spent up to now is 1100.1 secs Computing kpt #: 319 total cpu time spent up to now is 1102.4 secs Computing kpt #: 320 total cpu time spent up to now is 1104.9 secs Computing kpt #: 321 total cpu time spent up to now is 1108.1 secs Computing kpt #: 322 total cpu time spent up to now is 1110.6 secs Computing kpt #: 323 total cpu time spent up to now is 1113.5 secs Computing kpt #: 324 total cpu time spent up to now is 1117.0 secs Computing kpt #: 325 total cpu time spent up to now is 1119.7 secs Computing kpt #: 326 total cpu time spent up to now is 1122.0 secs Computing kpt #: 327 total cpu time spent up to now is 1125.1 secs Computing kpt #: 328 total cpu time spent up to now is 1127.7 secs Computing kpt #: 329 total cpu time spent up to now is 1130.3 secs Computing kpt #: 330 total cpu time spent up to now is 1133.9 secs Computing kpt #: 331 total cpu time spent up to now is 1136.7 secs Computing kpt #: 332 total cpu time spent up to now is 1139.5 secs Computing kpt #: 333 total cpu time spent up to now is 1142.3 secs Computing kpt #: 334 total cpu time spent up to now is 1145.0 secs Computing kpt #: 335 total cpu time spent up to now is 1148.0 secs Computing kpt #: 336 total cpu time spent up to now is 1150.9 secs Computing kpt #: 337 total cpu time spent up to now is 1153.8 secs Computing kpt #: 338 total cpu time spent up to now is 1156.7 secs Computing kpt #: 339 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1161.4 secs Computing kpt #: 340 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1166.3 secs Computing kpt #: 341 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1171.5 secs Computing kpt #: 342 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1176.3 secs Computing kpt #: 343 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1181.3 secs Computing kpt #: 344 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1186.8 secs Computing kpt #: 345 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1191.7 secs Computing kpt #: 346 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1196.8 secs Computing kpt #: 347 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1202.2 secs Computing kpt #: 348 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1207.3 secs Computing kpt #: 349 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1212.2 secs Computing kpt #: 350 total cpu time spent up to now is 1216.5 secs Computing kpt #: 351 total cpu time spent up to now is 1219.7 secs Computing kpt #: 352 total cpu time spent up to now is 1223.3 secs Computing kpt #: 353 total cpu time spent up to now is 1226.6 secs Computing kpt #: 354 total cpu time spent up to now is 1230.5 secs Computing kpt #: 355 total cpu time spent up to now is 1234.0 secs Computing kpt #: 356 total cpu time spent up to now is 1237.4 secs Computing kpt #: 357 total cpu time spent up to now is 1241.1 secs Computing kpt #: 358 total cpu time spent up to now is 1244.6 secs Computing kpt #: 359 total cpu time spent up to now is 1247.6 secs Computing kpt #: 360 total cpu time spent up to now is 1251.1 secs Computing kpt #: 361 total cpu time spent up to now is 1254.6 secs Computing kpt #: 362 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1259.7 secs Computing kpt #: 363 total cpu time spent up to now is 1263.0 secs Computing kpt #: 364 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1268.5 secs Computing kpt #: 365 total cpu time spent up to now is 1273.6 secs Computing kpt #: 366 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1282.1 secs Computing kpt #: 367 total cpu time spent up to now is 1285.4 secs Computing kpt #: 368 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1290.8 secs Computing kpt #: 369 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1296.1 secs Computing kpt #: 370 total cpu time spent up to now is 1299.4 secs Computing kpt #: 371 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1304.6 secs Computing kpt #: 372 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1309.5 secs Computing kpt #: 373 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1314.4 secs Computing kpt #: 374 total cpu time spent up to now is 1316.7 secs ethr = 2.08E-11, avg # of iterations = 56.4 total cpu time spent up to now is 1316.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4271 PWs) bands (ev): -13.4654 -13.4654 -12.8114 -12.8114 -10.7489 -10.7489 -9.1535 -9.1535 -8.9651 -8.9651 -8.8808 -8.8808 -3.2387 -3.2387 -3.0506 -3.0506 -2.9621 -2.9621 -0.6645 -0.6645 0.0009 0.0009 0.0094 0.0094 0.5439 0.5439 1.0141 1.0141 1.6739 1.6739 2.3005 2.3005 2.9360 2.9360 3.5884 3.5884 3.7187 3.7187 3.8363 3.8363 4.0052 4.0052 4.5065 4.5065 4.6511 4.6511 5.4665 5.4665 10.8793 10.8793 12.0679 12.0679 12.2060 12.2060 12.9570 12.9570 13.7569 13.7569 k = 0.0086 0.0140-0.0000 ( 4285 PWs) bands (ev): -13.4650 -13.4650 -12.8114 -12.8114 -10.7484 -10.7484 -9.1699 -9.1673 -8.9535 -8.9504 -8.8805 -8.8802 -3.2467 -3.2463 -3.0405 -3.0397 -2.9612 -2.9610 -0.6654 -0.6646 -0.0003 0.0001 0.0071 0.0074 0.5435 0.5441 1.0188 1.0206 1.6723 1.6731 2.2983 2.2993 2.9357 2.9362 3.5862 3.5867 3.7188 3.7188 3.8354 3.8360 4.0018 4.0026 4.5066 4.5067 4.6512 4.6515 5.4658 5.4661 10.8823 10.8824 12.0686 12.0688 12.2075 12.2079 12.9572 12.9580 13.7559 13.7567 k = 0.0172 0.0280-0.0000 ( 4283 PWs) bands (ev): -13.4639 -13.4638 -12.8115 -12.8115 -10.7468 -10.7467 -9.2076 -9.2038 -8.9230 -8.9182 -8.8794 -8.8789 -3.2661 -3.2656 -3.0133 -3.0118 -2.9584 -2.9580 -0.6674 -0.6657 -0.0036 -0.0029 0.0008 0.0013 0.5431 0.5444 1.0344 1.0379 1.6685 1.6701 2.2928 2.2946 2.9354 2.9363 3.5803 3.5814 3.7190 3.7191 3.8333 3.8346 3.9927 3.9944 4.5069 4.5071 4.6519 4.6523 5.4641 5.4648 10.8914 10.8915 12.0710 12.0714 12.2124 12.2133 12.9584 12.9600 13.7532 13.7548 k = 0.0259 0.0420-0.0000 ( 4279 PWs) bands (ev): -13.4620 -13.4619 -12.8117 -12.8117 -10.7441 -10.7440 -9.2558 -9.2516 -8.8855 -8.8795 -8.8771 -8.8765 -3.2905 -3.2902 -2.9754 -2.9736 -2.9536 -2.9530 -0.6707 -0.6681 -0.0100 -0.0090 -0.0078 -0.0069 0.5434 0.5451 1.0599 1.0648 1.6623 1.6647 2.2839 2.2866 2.9349 2.9364 3.5708 3.5725 3.7194 3.7195 3.8298 3.8321 3.9778 3.9807 4.5075 4.5078 4.6529 4.6535 5.4615 5.4625 10.9065 10.9066 12.0749 12.0756 12.2205 12.2219 12.9608 12.9632 13.7479 13.7501 k = 0.0345 0.0560-0.0000 ( 4279 PWs) bands (ev): -13.4593 -13.4593 -12.8119 -12.8119 -10.7403 -10.7401 -9.3094 -9.3052 -8.8752 -8.8738 -8.8449 -8.8388 -3.3160 -3.3158 -2.9469 -2.9461 -2.9311 -2.9289 -0.6757 -0.6722 -0.0212 -0.0203 -0.0156 -0.0142 0.5448 0.5468 1.0938 1.1000 1.6538 1.6570 2.2716 2.2752 2.9343 2.9363 3.5581 3.5604 3.7200 3.7201 3.8249 3.8284 3.9576 3.9618 4.5083 4.5087 4.6539 4.6548 5.4579 5.4593 10.9274 10.9276 12.0804 12.0813 12.2318 12.2336 12.9645 12.9676 13.7384 13.7412 k = 0.0431 0.0700-0.0000 ( 4279 PWs) bands (ev): -13.4560 -13.4559 -12.8122 -12.8122 -10.7354 -10.7352 -9.3663 -9.3621 -8.8717 -8.8700 -8.8055 -8.7989 -3.3405 -3.3405 -2.9383 -2.9372 -2.8824 -2.8800 -0.6829 -0.6786 -0.0334 -0.0326 -0.0250 -0.0232 0.5480 0.5502 1.1347 1.1420 1.6430 1.6469 2.2560 2.2604 2.9335 2.9361 3.5424 3.5454 3.7207 3.7210 3.8179 3.8231 3.9325 3.9387 4.5094 4.5099 4.6547 4.6558 5.4536 5.4553 10.9540 10.9543 12.0875 12.0885 12.2461 12.2483 12.9694 12.9732 13.7235 13.7265 k = 0.0517 0.0840-0.0000 ( 4267 PWs) bands (ev): -13.4518 -13.4518 -12.8125 -12.8125 -10.7294 -10.7292 -9.4253 -9.4213 -8.8674 -8.8655 -8.7675 -8.7605 -3.3632 -3.3630 -2.9277 -2.9265 -2.8306 -2.8279 -0.6930 -0.6877 -0.0447 -0.0440 -0.0364 -0.0343 0.5532 0.5556 1.1813 1.1894 1.6298 1.6344 2.2371 2.2423 2.9324 2.9356 3.5244 3.5279 3.7216 3.7221 3.8080 3.8157 3.9036 3.9126 4.5108 4.5113 4.6549 4.6562 5.4486 5.4507 10.9861 10.9864 12.0959 12.0972 12.2631 12.2658 12.9758 12.9801 13.7026 13.7057 k = 0.0604 0.0980-0.0000 ( 4271 PWs) bands (ev): -13.4470 -13.4470 -12.8129 -12.8129 -10.7223 -10.7220 -9.4859 -9.4820 -8.8625 -8.8602 -8.7315 -8.7243 -3.3834 -3.3830 -2.9151 -2.9137 -2.7763 -2.7734 -0.7064 -0.7003 -0.0536 -0.0530 -0.0498 -0.0474 0.5606 0.5631 1.2321 1.2409 1.6142 1.6196 2.2149 2.2208 2.9308 2.9347 3.5044 3.5085 3.7227 3.7234 3.7932 3.8040 3.8734 3.8860 4.5125 4.5131 4.6542 4.6556 5.4431 5.4455 11.0235 11.0238 12.1055 12.1071 12.2826 12.2857 12.9838 12.9885 13.6761 13.6792 k = 0.0690 0.1119-0.0000 ( 4271 PWs) bands (ev): -13.4415 -13.4415 -12.8134 -12.8133 -10.7140 -10.7138 -9.5477 -9.5440 -8.8567 -8.8542 -8.6980 -8.6906 -3.4008 -3.4001 -2.9007 -2.8991 -2.7199 -2.7168 -0.7237 -0.7167 -0.0659 -0.0629 -0.0581 -0.0579 0.5704 0.5730 1.2863 1.2957 1.5961 1.6022 2.1894 2.1960 2.9287 2.9333 3.4829 3.4877 3.7236 3.7251 3.7709 3.7833 3.8471 3.8624 4.5145 4.5152 4.6520 4.6536 5.4372 5.4400 11.0657 11.0661 12.1164 12.1181 12.3044 12.3079 12.9933 12.9983 13.6456 13.6485 k = 0.0776 0.1259-0.0000 ( 4279 PWs) bands (ev): -13.4353 -13.4353 -12.8139 -12.8139 -10.7047 -10.7044 -9.6104 -9.6069 -8.8503 -8.8475 -8.6672 -8.6595 -3.4152 -3.4144 -2.8843 -2.8825 -2.6619 -2.6586 -0.7449 -0.7373 -0.0837 -0.0803 -0.0584 -0.0583 0.5825 0.5852 1.3430 1.3529 1.5755 1.5823 2.1608 2.1681 2.9260 2.9313 3.4605 3.4659 3.7213 3.7270 3.7424 3.7499 3.8291 3.8439 4.5168 4.5176 4.6481 4.6499 5.4310 5.4341 11.1126 11.1131 12.1282 12.1302 12.3282 12.3321 13.0046 13.0098 13.6126 13.6153 k = 0.0862 0.1399-0.0000 ( 4263 PWs) bands (ev): -13.4285 -13.4284 -12.8144 -12.8144 -10.6942 -10.6939 -9.6738 -9.6704 -8.8432 -8.8400 -8.6392 -8.6312 -3.4266 -3.4255 -2.8661 -2.8641 -2.6025 -2.5991 -0.7700 -0.7617 -0.1038 -0.1001 -0.0532 -0.0530 0.5969 0.5997 1.4014 1.4118 1.5524 1.5598 2.1292 2.1371 2.9225 2.9286 3.4374 3.4436 3.6922 3.7061 3.7299 3.7328 3.8171 3.8300 4.5195 4.5203 4.6423 4.6441 5.4246 5.4280 11.1637 11.1643 12.1408 12.1431 12.3538 12.3581 13.0176 13.0229 13.5790 13.5814 k = 0.0949 0.1539-0.0000 ( 4267 PWs) bands (ev): -13.4210 -13.4210 -12.8151 -12.8150 -10.6826 -10.6822 -9.7376 -9.7344 -8.8354 -8.8319 -8.6140 -8.6059 -3.4349 -3.4337 -2.8459 -2.8437 -2.5419 -2.5384 -0.7987 -0.7899 -0.1262 -0.1221 -0.0425 -0.0421 0.6136 0.6165 1.4610 1.4717 1.5267 1.5347 2.0948 2.1032 2.9181 2.9251 3.4141 3.4209 3.6464 3.6572 3.7328 3.7344 3.8074 3.8186 4.5226 4.5234 4.6342 4.6362 5.4180 5.4217 11.2188 11.2195 12.1540 12.1566 12.3810 12.3856 13.0323 13.0375 13.5460 13.5483 k = 0.1035 0.1679-0.0000 ( 4263 PWs) bands (ev): -13.4130 -13.4129 -12.8157 -12.8157 -10.6698 -10.6694 -9.8017 -9.7987 -8.8269 -8.8232 -8.5919 -8.5836 -3.4404 -3.4390 -2.8239 -2.8215 -2.4805 -2.4768 -0.8303 -0.8211 -0.1509 -0.1465 -0.0262 -0.0257 0.6326 0.6356 1.4979 1.5063 1.5218 1.5327 2.0577 2.0665 2.9127 2.9206 3.3907 3.3981 3.5961 3.6051 3.7362 3.7376 3.7986 3.8085 4.5261 4.5270 4.6237 4.6258 5.4112 5.4153 11.2773 11.2782 12.1677 12.1705 12.4097 12.4146 13.0485 13.0535 13.5151 13.5170 k = 0.1121 0.1819-0.0000 ( 4251 PWs) bands (ev): -13.4043 -13.4042 -12.8165 -12.8164 -10.6559 -10.6554 -9.8659 -9.8631 -8.8179 -8.8138 -8.5727 -8.5642 -3.4430 -3.4414 -2.7999 -2.7974 -2.4184 -2.4146 -0.8641 -0.8547 -0.1780 -0.1732 -0.0047 -0.0042 0.6538 0.6570 1.4667 1.4758 1.5820 1.5935 2.0181 2.0275 2.9062 2.9150 3.3668 3.3749 3.5436 3.5514 3.7403 3.7416 3.7901 3.7990 4.5300 4.5310 4.6107 4.6130 5.4042 5.4086 11.3390 11.3400 12.1815 12.1846 12.4397 12.4448 13.0659 13.0706 13.4872 13.4888 k = 0.1207 0.1959-0.0000 ( 4253 PWs) bands (ev): -13.3952 -13.3951 -12.8172 -12.8172 -10.6408 -10.6403 -9.9301 -9.9275 -8.8082 -8.8039 -8.5564 -8.5479 -3.4429 -3.4412 -2.7742 -2.7714 -2.3558 -2.3519 -0.8996 -0.8900 -0.2076 -0.2024 0.0216 0.0221 0.6773 0.6807 1.4324 1.4420 1.6425 1.6542 1.9764 1.9862 2.8986 2.9082 3.3417 3.3504 3.4912 3.4982 3.7449 3.7464 3.7817 3.7897 4.5343 4.5354 4.5953 4.5976 5.3969 5.4017 11.4034 11.4045 12.1953 12.1987 12.4709 12.4763 13.0841 13.0882 13.4635 13.4647 k = 0.1294 0.2099-0.0000 ( 4261 PWs) bands (ev): -13.3855 -13.3854 -12.8181 -12.8180 -10.6245 -10.6240 -9.9942 -9.9917 -8.7981 -8.7934 -8.5431 -8.5345 -3.4403 -3.4385 -2.7466 -2.7436 -2.2929 -2.2889 -0.9359 -0.9262 -0.2396 -0.2341 0.0522 0.0526 0.7031 0.7067 1.3951 1.4051 1.7025 1.7145 1.9329 1.9430 2.8898 2.9002 3.3136 3.3226 3.4417 3.4483 3.7496 3.7519 3.7740 3.7807 4.5392 4.5403 4.5774 4.5798 5.3893 5.3943 11.4700 11.4714 12.2088 12.2126 12.5032 12.5089 13.1024 13.1058 13.4452 13.4459 k = 0.1380 0.2239-0.0000 ( 4261 PWs) bands (ev): -13.3754 -13.3753 -12.8189 -12.8189 -10.6071 -10.6065 -10.0580 -10.0556 -8.7874 -8.7825 -8.5327 -8.5239 -3.4355 -3.4337 -2.7171 -2.7140 -2.2298 -2.2258 -0.9723 -0.9626 -0.2741 -0.2682 0.0866 0.0868 0.7312 0.7350 1.3546 1.3650 1.7618 1.7740 1.8879 1.8984 2.8798 2.8909 3.2794 3.2882 3.3989 3.4057 3.7524 3.7574 3.7688 3.7725 4.5446 4.5458 4.5571 4.5597 5.3811 5.3864 11.5386 11.5401 12.2219 12.2260 12.5367 12.5426 13.1197 13.1223 13.4334 13.4335 k = 0.1466 0.2379-0.0000 ( 4265 PWs) bands (ev): -13.3648 -13.3647 -12.8198 -12.8198 -10.5884 -10.5878 -10.1214 -10.1192 -8.7763 -8.7711 -8.5251 -8.5162 -3.4287 -3.4268 -2.6859 -2.6826 -2.1668 -2.1628 -1.0084 -0.9987 -0.3111 -0.3049 0.1243 0.1244 0.7616 0.7656 1.3109 1.3216 1.8200 1.8325 1.8419 1.8526 2.8686 2.8804 3.2367 3.2449 3.3656 3.3731 3.7489 3.7577 3.7706 3.7710 4.5347 4.5374 4.5507 4.5519 5.3722 5.3778 11.6085 11.6102 12.2342 12.2387 12.5711 12.5772 13.1352 13.1370 13.4289 13.4294 k = 0.1552 0.2519-0.0000 ( 4265 PWs) bands (ev): -13.3538 -13.3537 -12.8207 -12.8207 -10.5686 -10.5678 -10.1843 -10.1822 -8.7648 -8.7594 -8.5201 -8.5112 -3.4203 -3.4183 -2.6529 -2.6494 -2.1041 -2.0999 -1.0435 -1.0338 -0.3505 -0.3440 0.1647 0.1648 0.7943 0.7986 1.2637 1.2747 1.7949 1.8060 1.8774 1.8899 2.8561 2.8685 3.1869 3.1944 3.3413 3.3495 3.7412 3.7500 3.7778 3.7784 4.5102 4.5130 4.5573 4.5585 5.3626 5.3684 11.6794 11.6814 12.2458 12.2507 12.6063 12.6126 13.1484 13.1493 13.4328 13.4338 k = 0.1638 0.2659-0.0000 ( 4269 PWs) bands (ev): -13.3425 -13.3424 -12.8217 -12.8217 -10.5475 -10.5467 -10.2466 -10.2447 -8.7530 -8.7473 -8.5177 -8.5088 -3.4105 -3.4085 -2.6182 -2.6144 -2.0417 -2.0375 -1.0771 -1.0675 -0.3925 -0.3857 0.2075 0.2076 0.8294 0.8340 1.2131 1.2242 1.7477 1.7590 1.9331 1.9459 2.8425 2.8554 3.1330 3.1399 3.3230 3.3318 3.7324 3.7409 3.7876 3.7880 4.4839 4.4868 4.5645 4.5658 5.3519 5.3580 11.7509 11.7531 12.2565 12.2617 12.6418 12.6484 13.1594 13.1595 13.4453 13.4467 k = 0.1725 0.2799-0.0000 ( 4269 PWs) bands (ev): -13.3309 -13.3308 -12.8227 -12.8226 -10.5252 -10.5243 -10.3082 -10.3064 -8.7410 -8.7350 -8.5177 -8.5088 -3.3996 -3.3976 -2.5817 -2.5778 -1.9798 -1.9756 -1.1087 -1.0992 -0.4368 -0.4297 0.2521 0.2524 0.8670 0.8719 1.1589 1.1702 1.7005 1.7120 1.9873 2.0003 2.8277 2.8409 3.0778 3.0843 3.3087 3.3178 3.7233 3.7316 3.7991 3.7994 4.4559 4.4589 4.5725 4.5738 5.3402 5.3465 11.8226 11.8250 12.2661 12.2717 12.6771 12.6838 13.1690 13.1694 13.4657 13.4673 k = 0.1811 0.2939-0.0000 ( 4273 PWs) bands (ev): -13.3190 -13.3189 -12.8237 -12.8236 -10.5016 -10.5007 -10.3691 -10.3674 -8.7287 -8.7224 -8.5200 -8.5111 -3.3882 -3.3861 -2.5435 -2.5394 -1.9185 -1.9145 -1.1381 -1.1287 -0.4834 -0.4761 0.2982 0.2986 0.9071 0.9123 1.1012 1.1125 1.6535 1.6652 2.0398 2.0529 2.8114 2.8248 3.0231 3.0293 3.2968 3.3060 3.7142 3.7223 3.8121 3.8123 4.4265 4.4295 4.5812 4.5825 5.3273 5.3337 11.8940 11.8968 12.2747 12.2806 12.7112 12.7181 13.1797 13.1805 13.4926 13.4943 k = 0.1897 0.3079-0.0000 ( 4261 PWs) bands (ev): -13.3069 -13.3068 -12.8247 -12.8246 -10.4768 -10.4759 -10.4291 -10.4275 -8.7163 -8.7098 -8.5244 -8.5155 -3.3763 -3.3743 -2.5037 -2.4994 -1.8581 -1.8541 -1.1647 -1.1554 -0.5323 -0.5247 0.3453 0.3459 0.9497 0.9553 1.0399 1.0512 1.6071 1.6189 2.0904 2.1038 2.7934 2.8067 2.9704 2.9762 3.2864 3.2957 3.7053 3.7132 3.8267 3.8268 4.3957 4.3989 4.5906 4.5921 5.3130 5.3197 11.9649 11.9680 12.2822 12.2886 12.7431 12.7501 13.1940 13.1951 13.5245 13.5261 k = 0.1983 0.3219-0.0000 ( 4261 PWs) bands (ev): -13.2947 -13.2945 -12.8257 -12.8257 -10.4882 -10.4867 -10.4508 -10.4498 -8.7038 -8.6971 -8.5307 -8.5220 -3.3646 -3.3625 -2.4622 -2.4577 -1.7987 -1.7947 -1.1883 -1.1792 -0.5832 -0.5753 0.3930 0.3938 0.9752 0.9864 0.9949 1.0008 1.5614 1.5733 2.1391 2.1527 2.7728 2.7856 2.9215 2.9267 3.2771 3.2862 3.6967 3.7044 3.8430 3.8431 4.3639 4.3671 4.6009 4.6024 5.2974 5.3042 12.0350 12.0383 12.2888 12.2956 12.7713 12.7783 13.2139 13.2154 13.5600 13.5613 k = 0.2070 0.3358-0.0000 ( 4265 PWs) bands (ev): -13.2823 -13.2821 -12.8267 -12.8267 -10.5462 -10.5448 -10.4235 -10.4224 -8.6914 -8.6844 -8.5388 -8.5302 -3.3532 -3.3511 -2.4192 -2.4145 -1.7403 -1.7365 -1.2085 -1.1995 -0.6359 -0.6279 0.4409 0.4419 0.9071 0.9181 1.0426 1.0489 1.5165 1.5285 2.1858 2.1996 2.7486 2.7602 2.8782 2.8822 3.2683 3.2771 3.6885 3.6960 3.8611 3.8611 4.3312 4.3344 4.6120 4.6135 5.2804 5.2874 12.1038 12.1075 12.2945 12.3017 12.7946 12.8015 13.2413 13.2432 13.5977 13.5989 k = 0.2156 0.3498-0.0000 ( 4261 PWs) bands (ev): -13.2698 -13.2697 -12.8277 -12.8277 -10.6031 -10.6019 -10.3950 -10.3938 -8.6791 -8.6719 -8.5486 -8.5400 -3.3424 -3.3404 -2.3746 -2.3698 -1.6833 -1.6795 -1.2251 -1.2163 -0.6903 -0.6821 0.4887 0.4897 0.8358 0.8467 1.0929 1.0995 1.4727 1.4846 2.2305 2.2444 2.7195 2.7291 2.8423 2.8444 3.2597 3.2680 3.6808 3.6881 3.8809 3.8810 4.2977 4.3009 4.6241 4.6256 5.2620 5.2691 12.1712 12.1752 12.2995 12.3071 12.8126 12.8192 13.2771 13.2794 13.6368 13.6377 k = 0.2242 0.3638-0.0000 ( 4265 PWs) bands (ev): -13.2573 -13.2572 -12.8287 -12.8286 -10.6589 -10.6578 -10.3652 -10.3640 -8.6670 -8.6596 -8.5598 -8.5513 -3.3327 -3.3307 -2.3286 -2.3236 -1.6277 -1.6240 -1.2378 -1.2291 -0.7461 -0.7377 0.5358 0.5370 0.7616 0.7722 1.1456 1.1527 1.4298 1.4418 2.2731 2.2872 2.6853 2.6925 2.8139 2.8139 3.2509 3.2588 3.6738 3.6809 3.9026 3.9027 4.2636 4.2669 4.6370 4.6386 5.2422 5.2493 12.2368 12.2411 12.3039 12.3119 12.8252 12.8315 13.3210 13.3238 13.6762 13.6771 k = 0.2328 0.3778-0.0000 ( 4265 PWs) bands (ev): -13.2448 -13.2447 -12.8296 -12.8296 -10.7136 -10.7124 -10.3343 -10.3329 -8.6552 -8.6476 -8.5722 -8.5640 -3.3242 -3.3222 -2.2811 -2.2760 -1.5737 -1.5703 -1.2464 -1.2377 -0.8030 -0.7945 0.5820 0.5834 0.6846 0.6950 1.2008 1.2082 1.3878 1.3998 2.3137 2.3279 2.6473 2.6524 2.7896 2.7914 3.2417 3.2490 3.6676 3.6745 3.9261 3.9264 4.2291 4.2324 4.6508 4.6525 5.2209 5.2282 12.3003 12.3041 12.3088 12.3163 12.8333 12.8393 13.3723 13.3756 13.7148 13.7162 k = 0.2415 0.3918-0.0000 ( 4263 PWs) bands (ev): -13.2324 -13.2322 -12.8305 -12.8305 -10.7669 -10.7659 -10.3020 -10.3006 -8.6438 -8.6360 -8.5858 -8.5777 -3.3171 -3.3152 -2.2323 -2.2270 -1.5217 -1.5185 -1.2505 -1.2419 -0.8607 -0.8520 0.6052 0.6152 0.6270 0.6286 1.2582 1.2660 1.3468 1.3588 2.3523 2.3667 2.6073 2.6109 2.7698 2.7726 3.2319 3.2386 3.6622 3.6689 3.9516 3.9519 4.1943 4.1975 4.6656 4.6673 5.1984 5.2057 12.3114 12.3201 12.3613 12.3662 12.8382 12.8439 13.4295 13.4333 13.7019 13.7134 k = 0.2501 0.4058-0.0000 ( 4271 PWs) bands (ev): -13.2201 -13.2199 -12.8314 -12.8314 -10.8189 -10.8180 -10.2686 -10.2671 -8.6328 -8.6249 -8.6004 -8.5924 -3.3116 -3.3098 -2.1823 -2.1769 -1.4720 -1.4691 -1.2498 -1.2413 -0.9187 -0.9099 0.5235 0.5332 0.6703 0.6721 1.3065 1.3151 1.3212 1.3259 2.3890 2.4035 2.5669 2.5696 2.7531 2.7563 3.2214 3.2273 3.6577 3.6642 3.9790 3.9794 4.1594 4.1625 4.6814 4.6831 5.1745 5.1819 12.3148 12.3240 12.4187 12.4239 12.8415 12.8469 13.4910 13.4952 13.6486 13.6589 k = 0.2587 0.4198-0.0000 ( 4259 PWs) bands (ev): -13.2079 -13.2077 -12.8322 -12.8322 -10.8696 -10.8687 -10.2340 -10.2324 -8.6225 -8.6157 -8.6144 -8.6080 -3.3079 -3.3060 -2.1312 -2.1256 -1.4252 -1.4226 -1.2439 -1.2354 -0.9767 -0.9679 0.4399 0.4493 0.7119 0.7139 1.2670 1.2788 1.3793 1.3876 2.4239 2.4386 2.5270 2.5292 2.7385 2.7418 3.2100 3.2150 3.6543 3.6605 4.0083 4.0088 4.1245 4.1275 4.6981 4.6999 5.1495 5.1570 12.3182 12.3278 12.4714 12.4768 12.8453 12.8504 13.5551 13.5595 13.5889 13.5982 k = 0.2673 0.4338-0.0000 ( 4259 PWs) bands (ev): -13.1959 -13.1958 -12.8330 -12.8329 -10.9188 -10.9180 -10.1982 -10.1965 -8.6317 -8.6242 -8.6130 -8.6047 -3.3059 -3.3041 -2.0792 -2.0734 -1.3819 -1.3797 -1.2322 -1.2237 -1.0342 -1.0253 0.3547 0.3637 0.7514 0.7536 1.2280 1.2398 1.4423 1.4509 2.4570 2.4718 2.4884 2.4902 2.7256 2.7286 3.1977 3.2018 3.6517 3.6577 4.0394 4.0400 4.0897 4.0926 4.7158 4.7177 5.1234 5.1309 12.3217 12.3317 12.5176 12.5230 12.8522 12.8568 13.5246 13.5334 13.6203 13.6252 k = 0.2760 0.4478-0.0000 ( 4259 PWs) bands (ev): -13.1842 -13.1841 -12.8336 -12.8336 -10.9666 -10.9658 -10.1612 -10.1594 -8.6483 -8.6409 -8.6042 -8.5958 -3.3056 -3.3039 -2.0264 -2.0206 -1.3431 -1.3412 -1.2140 -1.2057 -1.0907 -1.0818 0.2681 0.2768 0.7887 0.7910 1.1893 1.2012 1.5066 1.5156 2.4512 2.4527 2.4886 2.5035 2.7140 2.7165 3.1844 3.1876 3.6501 3.6559 4.0549 4.0576 4.0727 4.0734 4.7344 4.7363 5.0964 5.1039 12.3252 12.3356 12.5547 12.5598 12.8651 12.8690 13.4584 13.4666 13.6847 13.6899 k = 0.2846 0.4618-0.0000 ( 4251 PWs) bands (ev): -13.1728 -13.1726 -12.8342 -12.8342 -11.0129 -11.0122 -10.1231 -10.1213 -8.6651 -8.6580 -8.5964 -8.5879 -3.3071 -3.3054 -1.9732 -1.9673 -1.3091 -1.3073 -1.1896 -1.1812 -1.1453 -1.1367 0.1805 0.1889 0.8235 0.8260 1.1508 1.1627 1.5719 1.5812 2.4157 2.4171 2.5187 2.5337 2.7036 2.7055 3.1702 3.1723 3.6495 3.6551 4.0208 4.0233 4.1072 4.1081 4.7539 4.7559 5.0685 5.0760 12.3289 12.3396 12.5803 12.5849 12.8868 12.8898 13.3915 13.3992 13.7465 13.7519 k = 0.2932 0.4758-0.0000 ( 4259 PWs) bands (ev): -13.1616 -13.1615 -12.8347 -12.8347 -11.0576 -11.0570 -10.0840 -10.0820 -8.6823 -8.6754 -8.5897 -8.5810 -3.3103 -3.3085 -1.9200 -1.9141 -1.2792 -1.2773 -1.1991 -1.1893 -1.1580 -1.1513 0.0922 0.1001 0.8557 0.8584 1.1124 1.1243 1.6379 1.6475 2.3820 2.3834 2.5475 2.5626 2.6943 2.6954 3.1550 3.1562 3.6496 3.6552 3.9872 3.9894 4.1436 4.1446 4.7742 4.7764 5.0399 5.0473 12.3327 12.3438 12.5938 12.5975 12.9183 12.9202 13.3254 13.3327 13.8036 13.8089 k = 0.3018 0.4898-0.0000 ( 4269 PWs) bands (ev): -13.1509 -13.1507 -12.8351 -12.8351 -11.1008 -11.1002 -10.0438 -10.0417 -8.6995 -8.6929 -8.5841 -8.5754 -3.3149 -3.3132 -1.8676 -1.8617 -1.2522 -1.2498 -1.2476 -1.2384 -1.1242 -1.1176 0.0034 0.0110 0.8852 0.8881 1.0737 1.0856 1.7043 1.7142 2.3501 2.3515 2.5750 2.5902 2.6860 2.6862 3.1391 3.1392 3.6505 3.6561 3.9541 3.9559 4.1816 4.1828 4.7954 4.7976 5.0108 5.0182 12.3366 12.3480 12.5963 12.5992 12.9584 12.9592 13.2609 13.2679 13.8533 13.8580 k = 0.3104 0.5038-0.0000 ( 4265 PWs) bands (ev): -13.1405 -13.1404 -12.8354 -12.8353 -11.1423 -11.1418 -10.0026 -10.0003 -8.7168 -8.7104 -8.5799 -8.5711 -3.3210 -3.3193 -1.8171 -1.8114 -1.2924 -1.2827 -1.2254 -1.2234 -1.0880 -1.0818 -0.0856 -0.0783 0.9120 0.9150 1.0347 1.0466 1.7706 1.7808 2.3201 2.3215 2.6014 2.6167 2.6779 2.6786 3.1215 3.1225 3.6521 3.6577 3.9219 3.9232 4.2210 4.2224 4.8172 4.8196 4.9812 4.9885 12.3404 12.3520 12.5903 12.5926 13.0044 13.0045 13.1992 13.2058 13.8932 13.8971 k = 0.3191 0.5178-0.0000 ( 4261 PWs) bands (ev): -13.1306 -13.1304 -12.8355 -12.8355 -11.1822 -11.1817 -9.9604 -9.9581 -8.7340 -8.7278 -8.5771 -8.5682 -3.3282 -3.3266 -1.7705 -1.7650 -1.3298 -1.3198 -1.1991 -1.1972 -1.0511 -1.0452 -0.1745 -0.1676 0.9358 0.9390 0.9951 1.0071 1.8365 1.8470 2.2919 2.2933 2.6268 2.6421 2.6705 2.6720 3.1033 3.1054 3.6541 3.6599 3.8905 3.8912 4.2618 4.2634 4.8397 4.8422 4.9514 4.9586 12.3439 12.3558 12.5784 12.5802 13.0537 13.0545 13.1410 13.1473 13.9230 13.9259 k = 0.3277 0.5318-0.0000 ( 4257 PWs) bands (ev): -13.1211 -13.1209 -12.8355 -12.8355 -11.2204 -11.2200 -9.9174 -9.9149 -8.7510 -8.7450 -8.5758 -8.5669 -3.3365 -3.3350 -1.7311 -1.7258 -1.3567 -1.3463 -1.1726 -1.1707 -1.0141 -1.0086 -0.2630 -0.2564 0.9534 0.9564 0.9614 0.9672 1.9017 1.9124 2.2657 2.2671 2.6511 2.6624 2.6665 2.6679 3.0847 3.0879 3.6565 3.6627 3.8600 3.8601 4.3038 4.3056 4.8626 4.8653 4.9215 4.9286 12.3470 12.3590 12.5623 12.5637 13.0864 13.0928 13.1063 13.1071 13.9442 13.9462 k = 0.3363 0.5457-0.0000 ( 4257 PWs) bands (ev): -13.1121 -13.1119 -12.8355 -12.8354 -11.2569 -11.2565 -9.8735 -9.8709 -8.7676 -8.7620 -8.5762 -8.5672 -3.3457 -3.3441 -1.7034 -1.6985 -1.3682 -1.3575 -1.1456 -1.1439 -0.9776 -0.9724 -0.3508 -0.3447 0.9132 0.9253 0.9752 0.9786 1.9659 1.9768 2.2413 2.2428 2.6573 2.6609 2.6752 2.6906 3.0659 3.0702 3.6590 3.6659 3.8299 3.8311 4.3469 4.3488 4.8860 4.8886 4.8917 4.8988 12.3493 12.3612 12.5433 12.5445 13.0381 13.0438 13.1590 13.1605 13.9590 13.9603 k = 0.3449 0.5597-0.0000 ( 4259 PWs) bands (ev): -13.1035 -13.1034 -12.8352 -12.8352 -11.2917 -11.2914 -9.8289 -9.8262 -8.7839 -8.7785 -8.5782 -8.5693 -3.3555 -3.3540 -1.6912 -1.6865 -1.3604 -1.3495 -1.1183 -1.1167 -0.9418 -0.9369 -0.4378 -0.4320 0.8709 0.8830 0.9904 0.9939 2.0286 2.0397 2.2187 2.2202 2.6520 2.6568 2.6978 2.7132 3.0470 3.0524 3.6614 3.6693 3.8009 3.8035 4.3909 4.3930 4.8621 4.8688 4.9095 4.9125 12.3504 12.3621 12.5225 12.5235 12.9953 13.0004 13.2128 13.2146 13.9686 13.9696 k = 0.3449 0.5597-0.0000 ( 4259 PWs) bands (ev): -13.1035 -13.1034 -12.8352 -12.8352 -11.2917 -11.2914 -9.8289 -9.8262 -8.7839 -8.7785 -8.5782 -8.5693 -3.3555 -3.3540 -1.6912 -1.6865 -1.3604 -1.3495 -1.1183 -1.1167 -0.9418 -0.9369 -0.4378 -0.4320 0.8709 0.8830 0.9904 0.9939 2.0286 2.0397 2.2187 2.2202 2.6520 2.6568 2.6978 2.7132 3.0470 3.0524 3.6614 3.6693 3.8009 3.8035 4.3909 4.3930 4.8621 4.8688 4.9095 4.9125 12.3504 12.3621 12.5225 12.5235 12.9953 13.0004 13.2128 13.2146 13.9686 13.9696 k = 0.3285 0.5597-0.0000 ( 4257 PWs) bands (ev): -13.1082 -13.1081 -12.8356 -12.8355 -11.2727 -11.2723 -9.8528 -9.8502 -8.7754 -8.7698 -8.5768 -8.5679 -3.3499 -3.3483 -1.7008 -1.6961 -1.3670 -1.3562 -1.1343 -1.1326 -0.9561 -0.9511 -0.3906 -0.3846 0.8946 0.9066 0.9821 0.9856 1.9948 2.0058 2.2314 2.2328 2.6436 2.6499 2.6961 2.7096 3.0576 3.0624 3.6600 3.6674 3.8154 3.8173 4.3681 4.3701 4.8743 4.8795 4.9028 4.9044 12.3500 12.3617 12.5332 12.5344 13.0146 13.0200 13.1855 13.1872 13.9506 13.9516 k = 0.3121 0.5597-0.0000 ( 4263 PWs) bands (ev): -13.1135 -13.1133 -12.8362 -12.8362 -11.2513 -11.2509 -9.8774 -9.8748 -8.7666 -8.7609 -8.5757 -8.5668 -3.3434 -3.3419 -1.7244 -1.7198 -1.3696 -1.3590 -1.1527 -1.1508 -0.9613 -0.9562 -0.3405 -0.3344 0.9195 0.9309 0.9731 0.9771 1.9585 1.9694 2.2464 2.2479 2.6200 2.6284 2.7079 2.7187 3.0692 3.0737 3.6581 3.6651 3.8286 3.8301 4.3468 4.3487 4.8718 4.8731 4.9122 4.9156 12.3497 12.3615 12.5422 12.5437 13.0295 13.0352 13.1612 13.1627 13.9340 13.9350 k = 0.2957 0.5597-0.0000 ( 4265 PWs) bands (ev): -13.1192 -13.1191 -12.8372 -12.8372 -11.2277 -11.2272 -9.9027 -9.9002 -8.7577 -8.7519 -8.5749 -8.5660 -3.3361 -3.3346 -1.7595 -1.7551 -1.3709 -1.3604 -1.1723 -1.1703 -0.9568 -0.9517 -0.2884 -0.2822 0.9375 0.9448 0.9715 0.9795 1.9198 1.9307 2.2637 2.2651 2.5910 2.6004 2.7233 2.7326 3.0817 3.0858 3.6556 3.6625 3.8394 3.8409 4.3280 4.3296 4.8608 4.8619 4.9301 4.9349 12.3505 12.3623 12.5493 12.5513 13.0372 13.0428 13.1424 13.1435 13.9214 13.9224 k = 0.2792 0.5597-0.0000 ( 4263 PWs) bands (ev): -13.1252 -13.1251 -12.8386 -12.8385 -11.2019 -11.2015 -9.9287 -9.9263 -8.7487 -8.7427 -8.5744 -8.5656 -3.3278 -3.3262 -1.8034 -1.7992 -1.3731 -1.3629 -1.1926 -1.1904 -0.9429 -0.9379 -0.2353 -0.2290 0.9325 0.9364 0.9936 1.0048 1.8790 1.8897 2.2831 2.2844 2.5593 2.5692 2.7395 2.7479 3.0947 3.0986 3.6525 3.6595 3.8467 3.8485 4.3124 4.3138 4.8494 4.8507 4.9503 4.9555 12.3530 12.3646 12.5546 12.5570 13.0344 13.0395 13.1313 13.1326 13.9135 13.9145 k = 0.2628 0.5597-0.0000 ( 4262 PWs) bands (ev): -13.1315 -13.1314 -12.8402 -12.8402 -11.1743 -11.1738 -9.9555 -9.9531 -8.7396 -8.7335 -8.5742 -8.5654 -3.3183 -3.3167 -1.8536 -1.8497 -1.3771 -1.3671 -1.2131 -1.2106 -0.9207 -0.9159 -0.1817 -0.1754 0.9179 0.9211 1.0261 1.0379 1.8362 1.8468 2.3043 2.3054 2.5258 2.5359 2.7557 2.7635 3.1081 3.1118 3.6488 3.6559 3.8498 3.8521 4.3009 4.3020 4.8390 4.8405 4.9711 4.9765 12.3573 12.3688 12.5583 12.5612 13.0214 13.0255 13.1269 13.1294 13.9107 13.9117 k = 0.2464 0.5597-0.0000 ( 4271 PWs) bands (ev): -13.1379 -13.1378 -12.8421 -12.8420 -11.1450 -11.1445 -9.9829 -9.9806 -8.7304 -8.7242 -8.5743 -8.5655 -3.3077 -3.3060 -1.9081 -1.9045 -1.3829 -1.3733 -1.2334 -1.2308 -0.8920 -0.8873 -0.1281 -0.1219 0.9008 0.9037 1.0622 1.0741 1.7917 1.8022 2.3270 2.3278 2.4910 2.5010 2.7717 2.7789 3.1216 3.1251 3.6441 3.6515 3.8482 3.8512 4.2936 4.2946 4.8301 4.8317 4.9919 4.9974 12.3636 12.3751 12.5610 12.5643 13.0019 13.0054 13.1254 13.1289 13.9129 13.9140 k = 0.2300 0.5597-0.0000 ( 4271 PWs) bands (ev): -13.1443 -13.1441 -12.8442 -12.8441 -11.1142 -11.1136 -10.0111 -10.0089 -8.7212 -8.7149 -8.5747 -8.5659 -3.2957 -3.2940 -1.9656 -1.9623 -1.3901 -1.3808 -1.2533 -1.2505 -0.8584 -0.8539 -0.0752 -0.0690 0.8829 0.8855 1.1004 1.1124 1.7456 1.7559 2.3509 2.3510 2.4555 2.4651 2.7870 2.7938 3.1351 3.1386 3.6383 3.6462 3.8422 3.8459 4.2904 4.2914 4.8229 4.8246 5.0124 5.0179 12.3721 12.3835 12.5630 12.5667 12.9795 12.9827 13.1232 13.1273 13.9194 13.9209 k = 0.2135 0.5597-0.0000 ( 4275 PWs) bands (ev): -13.1506 -13.1505 -12.8464 -12.8464 -11.0821 -11.0815 -10.0399 -10.0378 -8.7121 -8.7057 -8.5753 -8.5666 -3.2823 -3.2806 -2.0249 -2.0219 -1.3982 -1.3892 -1.2724 -1.2694 -0.8214 -0.8171 -0.0234 -0.0173 0.8650 0.8673 1.1403 1.1522 1.6982 1.7084 2.3716 2.3743 2.4227 2.4295 2.8015 2.8081 3.1485 3.1519 3.6311 3.6394 3.8323 3.8369 4.2907 4.2919 4.8177 4.8195 5.0322 5.0376 12.3827 12.3940 12.5648 12.5690 12.9562 12.9591 13.1185 13.1231 13.9273 13.9300 k = 0.1971 0.5597-0.0000 ( 4272 PWs) bands (ev): -13.1567 -13.1566 -12.8488 -12.8487 -11.0488 -11.0482 -10.0694 -10.0673 -8.7031 -8.6965 -8.5763 -8.5676 -3.2675 -3.2658 -2.0852 -2.0824 -1.4066 -1.3980 -1.2904 -1.2874 -0.7824 -0.7783 0.0268 0.0327 0.8479 0.8498 1.1814 1.1933 1.6497 1.6598 2.3656 2.3781 2.4136 2.4165 2.8151 2.8214 3.1616 3.1650 3.6221 3.6309 3.8198 3.8252 4.2937 4.2951 4.8146 4.8164 5.0512 5.0565 12.3952 12.4063 12.5670 12.5715 12.9328 12.9356 13.1110 13.1158 13.9296 13.9342 k = 0.1807 0.5597-0.0000 ( 4267 PWs) bands (ev): -13.1627 -13.1626 -12.8511 -12.8511 -11.0148 -11.0142 -10.0994 -10.0974 -8.6943 -8.6875 -8.5775 -8.5689 -3.2511 -3.2494 -2.1456 -2.1431 -1.4151 -1.4069 -1.3073 -1.3042 -0.7424 -0.7385 0.0748 0.0803 0.8325 0.8339 1.2231 1.2350 1.6006 1.6106 2.3309 2.3436 2.4358 2.4388 2.8276 2.8336 3.1744 3.1778 3.6110 3.6202 3.8062 3.8122 4.2985 4.3000 4.8136 4.8155 5.0691 5.0742 12.4093 12.4203 12.5699 12.5747 12.9100 12.9127 13.1005 13.1056 13.9176 13.9229 k = 0.1643 0.5597-0.0000 ( 4271 PWs) bands (ev): -13.1683 -13.1682 -12.8535 -12.8535 -10.9801 -10.9795 -10.1298 -10.1279 -8.6856 -8.6787 -8.5790 -8.5704 -3.2333 -3.2316 -2.2054 -2.2031 -1.4234 -1.4157 -1.3228 -1.3197 -0.7023 -0.6986 0.1196 0.1248 0.8197 0.8206 1.2648 1.2766 1.5515 1.5614 2.2915 2.3038 2.4629 2.4656 2.8387 2.8446 3.1868 3.1902 3.5975 3.6068 3.7927 3.7991 4.3039 4.3055 4.8147 4.8166 5.0857 5.0906 12.4247 12.4356 12.5740 12.5792 12.8881 12.8908 13.0876 13.0928 13.8947 13.8997 k = 0.1478 0.5597-0.0000 ( 4275 PWs) bands (ev): -13.1736 -13.1735 -12.8558 -12.8558 -10.9452 -10.9445 -10.1605 -10.1587 -8.6771 -8.6702 -8.5809 -8.5724 -3.2141 -3.2124 -2.2642 -2.2620 -1.4313 -1.4241 -1.3368 -1.3338 -0.6628 -0.6593 0.1606 0.1653 0.8107 0.8111 1.3049 1.3165 1.5039 1.5137 2.2507 2.2628 2.4909 2.4934 2.8485 2.8541 3.1988 3.2022 3.5815 3.5908 3.7805 3.7869 4.3094 4.3110 4.8177 4.8196 5.1009 5.1056 12.4408 12.4515 12.5796 12.5852 12.8676 12.8702 13.0724 13.0778 13.8671 13.8718 k = 0.1314 0.5597-0.0000 ( 4283 PWs) bands (ev): -13.1784 -13.1783 -12.8580 -12.8580 -10.9102 -10.9095 -10.1913 -10.1896 -8.6689 -8.6619 -8.5830 -8.5746 -3.1936 -3.1920 -2.3212 -2.3192 -1.4388 -1.4322 -1.3493 -1.3463 -0.6246 -0.6214 0.1967 0.2008 0.8064 0.8072 1.3378 1.3491 1.4630 1.4731 2.2093 2.2211 2.5189 2.5213 2.8568 2.8622 3.2102 3.2136 3.5634 3.5722 3.7701 3.7763 4.3145 4.3160 4.8223 4.8242 5.1146 5.1190 12.4571 12.4675 12.5871 12.5929 12.8491 12.8516 13.0554 13.0610 13.8376 13.8419 k = 0.1150 0.5597-0.0000 ( 4287 PWs) bands (ev): -13.1828 -13.1827 -12.8600 -12.8600 -10.8757 -10.8749 -10.2219 -10.2203 -8.6610 -8.6539 -8.5854 -8.5771 -3.1721 -3.1705 -2.3757 -2.3739 -1.4456 -1.4397 -1.3601 -1.3574 -0.5885 -0.5855 0.2270 0.2304 0.8081 0.8099 1.3440 1.3545 1.4483 1.4592 2.1677 2.1793 2.5464 2.5487 2.8635 2.8687 3.2211 3.2244 3.5437 3.5519 3.7618 3.7675 4.3188 4.3202 4.8281 4.8300 5.1266 5.1307 12.4729 12.4828 12.5962 12.6021 12.8332 12.8356 13.0367 13.0425 13.8077 13.8115 k = 0.0986 0.5597-0.0000 ( 4289 PWs) bands (ev): -13.1867 -13.1866 -12.8619 -12.8618 -10.8420 -10.8413 -10.2519 -10.2505 -8.6534 -8.6462 -8.5882 -8.5800 -3.1499 -3.1484 -2.4272 -2.4255 -1.4517 -1.4466 -1.3693 -1.3668 -0.5549 -0.5523 0.2510 0.2536 0.8171 0.8198 1.3123 1.3219 1.4713 1.4823 2.1264 2.1376 2.5727 2.5750 2.8686 2.8735 3.2314 3.2346 3.5233 3.5307 3.7555 3.7604 4.3223 4.3235 4.8347 4.8365 5.1371 5.1407 12.4877 12.4970 12.6065 12.6123 12.8208 12.8235 13.0166 13.0226 13.7784 13.7819 k = 0.0821 0.5597-0.0000 ( 4287 PWs) bands (ev): -13.1901 -13.1900 -12.8635 -12.8635 -10.8099 -10.8092 -10.2808 -10.2795 -8.6462 -8.6390 -8.5912 -8.5832 -3.1276 -3.1262 -2.4747 -2.4732 -1.4571 -1.4527 -1.3769 -1.3748 -0.5248 -0.5224 0.2685 0.2705 0.8337 0.8374 1.2662 1.2754 1.5076 1.5181 2.0861 2.0968 2.5973 2.5994 2.8722 2.8767 3.2411 3.2440 3.5032 3.5096 3.7508 3.7549 4.3249 4.3259 4.8415 4.8431 5.1459 5.1490 12.5012 12.5098 12.6165 12.6221 12.8134 12.8167 12.9951 13.0013 13.7511 13.7541 k = 0.0657 0.5597-0.0000 ( 4285 PWs) bands (ev): -13.1928 -13.1928 -12.8649 -12.8648 -10.7802 -10.7795 -10.3077 -10.3065 -8.6393 -8.6322 -8.5945 -8.5867 -3.1061 -3.1048 -2.5170 -2.5157 -1.4615 -1.4580 -1.3830 -1.3812 -0.4987 -0.4967 0.2803 0.2816 0.8577 0.8624 1.2166 1.2254 1.5457 1.5555 2.0477 2.0576 2.6194 2.6213 2.8744 2.8784 3.2499 3.2526 3.4844 3.4898 3.7474 3.7508 4.3268 4.3277 4.8479 4.8493 5.1531 5.1557 12.5133 12.5208 12.6248 12.6299 12.8122 12.8166 12.9725 12.9789 13.7267 13.7292 k = 0.0493 0.5597-0.0000 ( 4281 PWs) bands (ev): -13.1950 -13.1950 -12.8659 -12.8659 -10.7541 -10.7535 -10.3314 -10.3305 -8.6329 -8.6260 -8.5979 -8.5905 -3.0865 -3.0855 -2.5529 -2.5518 -1.4649 -1.4623 -1.3876 -1.3863 -0.4774 -0.4759 0.2874 0.2882 0.8884 0.8938 1.1665 1.1749 1.5818 1.5905 2.0128 2.0215 2.6381 2.6398 2.8756 2.8789 3.2577 3.2599 3.4681 3.4723 3.7452 3.7477 4.3281 4.3288 4.8536 4.8547 5.1587 5.1607 12.5238 12.5300 12.6300 12.6344 12.8183 12.8237 12.9487 12.9553 13.7065 13.7084 k = 0.0329 0.5597-0.0000 ( 4283 PWs) bands (ev): -13.1966 -13.1966 -12.8667 -12.8667 -10.7332 -10.7328 -10.3505 -10.3498 -8.6271 -8.6208 -8.6011 -8.5945 -3.0705 -3.0697 -2.5806 -2.5798 -1.4673 -1.4655 -1.3907 -1.3899 -0.4615 -0.4605 0.2912 0.2916 0.9241 0.9301 1.1175 1.1253 1.6130 1.6197 1.9839 1.9907 2.6526 2.6538 2.8761 2.8784 3.2640 3.2656 3.4555 3.4585 3.7438 3.7455 4.3290 4.3294 4.8580 4.8588 5.1627 5.1641 12.5323 12.5368 12.6323 12.6357 12.8313 12.8375 12.9244 12.9312 13.6914 13.6927 k = 0.0164 0.5597-0.0000 ( 4276 PWs) bands (ev): -13.1976 -13.1975 -12.8672 -12.8672 -10.7195 -10.7193 -10.3630 -10.3627 -8.6220 -8.6176 -8.6031 -8.5985 -3.0598 -3.0594 -2.5981 -2.5977 -1.4686 -1.4677 -1.3925 -1.3921 -0.4516 -0.4511 0.2929 0.2931 0.9622 0.9680 1.0723 1.0790 1.6353 1.6391 1.9647 1.9685 2.6619 2.6625 2.8764 2.8776 3.2684 3.2692 3.4477 3.4492 3.7433 3.7441 4.3295 4.3297 4.8609 4.8613 5.1653 5.1660 12.5384 12.5408 12.6331 12.6350 12.8494 12.8556 12.9008 12.9072 13.6821 13.6828 k = 0.0000 0.5597-0.0000 ( 4272 PWs) bands (ev): -13.1979 -13.1979 -12.8673 -12.8673 -10.7146 -10.7146 -10.3673 -10.3673 -8.6183 -8.6183 -8.6019 -8.6019 -3.0558 -3.0558 -2.6041 -2.6041 -1.4687 -1.4687 -1.3930 -1.3930 -0.4481 -0.4481 0.2934 0.2934 0.9893 0.9893 1.0489 1.0489 1.6449 1.6449 1.9591 1.9591 2.6653 2.6653 2.8768 2.8768 3.2702 3.2702 3.4455 3.4455 3.7433 3.7433 4.3297 4.3297 4.8620 4.8620 5.1664 5.1664 12.5414 12.5414 12.6339 12.6339 12.8662 12.8662 12.8885 12.8885 13.6792 13.6792 k = 0.0000 0.5597-0.0000 ( 4272 PWs) bands (ev): -13.1979 -13.1979 -12.8673 -12.8673 -10.7146 -10.7146 -10.3673 -10.3673 -8.6183 -8.6183 -8.6019 -8.6019 -3.0558 -3.0558 -2.6041 -2.6041 -1.4687 -1.4687 -1.3930 -1.3930 -0.4481 -0.4481 0.2934 0.2934 0.9893 0.9893 1.0489 1.0489 1.6449 1.6449 1.9591 1.9591 2.6653 2.6653 2.8768 2.8768 3.2702 3.2702 3.4455 3.4455 3.7433 3.7433 4.3297 4.3297 4.8620 4.8620 5.1664 5.1664 12.5414 12.5414 12.6339 12.6339 12.8662 12.8662 12.8885 12.8885 13.6792 13.6792 k = 0.0000 0.5597 0.0163 ( 4276 PWs) bands (ev): -13.1976 -13.1976 -12.8674 -12.8674 -10.7138 -10.7138 -10.3667 -10.3667 -8.6199 -8.6198 -8.6037 -8.6037 -3.0554 -3.0553 -2.6033 -2.6031 -1.4682 -1.4681 -1.3904 -1.3902 -0.4468 -0.4466 0.2924 0.2926 0.9871 0.9873 1.0469 1.0473 1.6453 1.6454 1.9599 1.9599 2.6628 2.6629 2.8775 2.8776 3.2722 3.2722 3.4461 3.4462 3.7429 3.7429 4.3300 4.3301 4.8622 4.8622 5.1662 5.1662 12.5370 12.5375 12.6282 12.6288 12.8691 12.8702 12.8859 12.8861 13.6830 13.6831 k = 0.0000 0.5597 0.0326 ( 4266 PWs) bands (ev): -13.1968 -13.1968 -12.8677 -12.8677 -10.7114 -10.7113 -10.3649 -10.3648 -8.6247 -8.6244 -8.6090 -8.6090 -3.0540 -3.0538 -2.6009 -2.6005 -1.4666 -1.4664 -1.3824 -1.3820 -0.4429 -0.4424 0.2894 0.2899 0.9808 0.9812 1.0415 1.0422 1.6468 1.6468 1.9621 1.9621 2.6556 2.6558 2.8795 2.8797 3.2780 3.2781 3.4479 3.4481 3.7415 3.7416 4.3308 4.3309 4.8626 4.8626 5.1655 5.1655 12.5244 12.5253 12.6129 12.6139 12.8741 12.8761 12.8829 12.8832 13.6940 13.6942 k = 0.0000 0.5597 0.0490 ( 4278 PWs) bands (ev): -13.1955 -13.1955 -12.8682 -12.8682 -10.7073 -10.7073 -10.3618 -10.3617 -8.6326 -8.6322 -8.6179 -8.6178 -3.0516 -3.0513 -2.5969 -2.5962 -1.4640 -1.4637 -1.3690 -1.3684 -0.4361 -0.4354 0.2845 0.2852 0.9707 0.9713 1.0327 1.0339 1.6489 1.6490 1.9656 1.9656 2.6441 2.6443 2.8828 2.8830 3.2874 3.2875 3.4510 3.4513 3.7392 3.7395 4.3320 4.3323 4.8633 4.8634 5.1643 5.1643 12.5042 12.5054 12.5901 12.5912 12.8641 12.8656 12.8953 12.8967 13.7109 13.7112 k = 0.0000 0.5597 0.0653 ( 4278 PWs) bands (ev): -13.1936 -13.1936 -12.8689 -12.8689 -10.7016 -10.7016 -10.3575 -10.3574 -8.6436 -8.6431 -8.6301 -8.6300 -3.0482 -3.0478 -2.5913 -2.5904 -1.4604 -1.4600 -1.3505 -1.3497 -0.4265 -0.4256 0.2776 0.2785 0.9574 0.9582 1.0210 1.0225 1.6515 1.6516 1.9702 1.9702 2.6287 2.6291 2.8872 2.8875 3.2997 3.2999 3.4554 3.4557 3.7361 3.7364 4.3338 4.3342 4.8643 4.8644 5.1628 5.1628 12.4772 12.4787 12.5620 12.5631 12.8487 12.8503 12.9127 12.9143 13.7316 13.7321 k = 0.0000 0.5597 0.0816 ( 4274 PWs) bands (ev): -13.1913 -13.1913 -12.8698 -12.8698 -10.6943 -10.6942 -10.3520 -10.3518 -8.6576 -8.6569 -8.6457 -8.6455 -3.0438 -3.0433 -2.5843 -2.5832 -1.4560 -1.4555 -1.3270 -1.3260 -0.4140 -0.4129 0.2685 0.2696 0.9416 0.9425 1.0066 1.0084 1.6541 1.6543 1.9753 1.9754 2.6104 2.6107 2.8925 2.8929 3.3143 3.3145 3.4610 3.4614 3.7321 3.7325 4.3360 4.3365 4.8655 4.8656 5.1607 5.1607 12.4447 12.4463 12.5304 12.5313 12.8304 12.8321 12.9320 12.9337 13.7538 13.7546 k = 0.0000 0.5597 0.0979 ( 4276 PWs) bands (ev): -13.1884 -13.1884 -12.8709 -12.8708 -10.6853 -10.6853 -10.3453 -10.3450 -8.6746 -8.6738 -8.6644 -8.6641 -3.0383 -3.0377 -2.5759 -2.5746 -1.4508 -1.4503 -1.2988 -1.2976 -0.3985 -0.3972 0.2571 0.2585 0.9240 0.9251 0.9899 0.9920 1.6565 1.6567 1.9807 1.9808 2.5897 2.5900 2.8986 2.8990 3.3305 3.3308 3.4678 3.4683 3.7273 3.7277 4.3386 4.3391 4.8670 4.8671 5.1582 5.1582 12.4079 12.4095 12.4967 12.4974 12.8102 12.8119 12.9524 12.9539 13.7756 13.7766 k = 0.0000 0.5597 0.1142 ( 4284 PWs) bands (ev): -13.1851 -13.1850 -12.8722 -12.8721 -10.6747 -10.6747 -10.3373 -10.3370 -8.6947 -8.6936 -8.6860 -8.6857 -3.0318 -3.0311 -2.5662 -2.5648 -1.4451 -1.4446 -1.2661 -1.2647 -0.3800 -0.3785 0.2434 0.2450 0.9055 0.9066 0.9714 0.9738 1.6583 1.6585 1.9859 1.9860 2.5673 2.5677 2.9051 2.9055 3.3477 3.3480 3.4759 3.4764 3.7217 3.7221 4.3414 4.3420 4.8686 4.8687 5.1553 5.1553 12.3681 12.3696 12.4620 12.4625 12.7888 12.7904 12.9733 12.9745 13.7949 13.7963 k = 0.0000 0.5597 0.1306 ( 4284 PWs) bands (ev): -13.1812 -13.1812 -12.8737 -12.8736 -10.6625 -10.6625 -10.3281 -10.3278 -8.7178 -8.7166 -8.7102 -8.7098 -3.0242 -3.0234 -2.5555 -2.5540 -1.4390 -1.4384 -1.2293 -1.2277 -0.3583 -0.3566 0.2272 0.2290 0.8867 0.8879 0.9515 0.9542 1.6592 1.6595 1.9903 1.9905 2.5441 2.5444 2.9117 2.9121 3.3655 3.3658 3.4851 3.4856 3.7155 3.7159 4.3444 4.3451 4.8705 4.8706 5.1519 5.1519 12.3266 12.3280 12.4274 12.4276 12.7665 12.7681 12.9943 12.9951 13.8108 13.8124 k = 0.0000 0.5597 0.1469 ( 4278 PWs) bands (ev): -13.1769 -13.1769 -12.8754 -12.8754 -10.6487 -10.6487 -10.3177 -10.3173 -8.7443 -8.7431 -8.7362 -8.7359 -3.0155 -3.0146 -2.5439 -2.5423 -1.4327 -1.4320 -1.1888 -1.1870 -0.3334 -0.3316 0.2085 0.2105 0.8683 0.8697 0.9308 0.9337 1.6590 1.6593 1.9934 1.9937 2.5205 2.5209 2.9181 2.9185 3.3831 3.3834 3.4954 3.4957 3.7086 3.7090 4.3474 4.3482 4.8725 4.8726 5.1480 5.1481 12.2846 12.2857 12.3937 12.3937 12.7440 12.7454 13.0150 13.0155 13.8225 13.8244 k = 0.0000 0.5597 0.1632 ( 4274 PWs) bands (ev): -13.1722 -13.1721 -12.8774 -12.8773 -10.6333 -10.6333 -10.3061 -10.3057 -8.7740 -8.7731 -8.7638 -8.7638 -3.0056 -3.0046 -2.5317 -2.5299 -1.4262 -1.4255 -1.1451 -1.1431 -0.3053 -0.3033 0.1874 0.1896 0.8511 0.8526 0.9095 0.9127 1.6577 1.6580 1.9947 1.9951 2.4974 2.4977 2.9240 2.9243 3.4003 3.4006 3.5064 3.5066 3.7016 3.7019 4.3504 4.3512 4.8746 4.8747 5.1438 5.1438 12.2431 12.2441 12.3615 12.3617 12.7215 12.7228 13.0352 13.0352 13.8302 13.8323 k = 0.0000 0.5597 0.1795 ( 4276 PWs) bands (ev): -13.1670 -13.1669 -12.8795 -12.8795 -10.6163 -10.6163 -10.2932 -10.2928 -8.8067 -8.8059 -8.7934 -8.7932 -2.9946 -2.9935 -2.5189 -2.5170 -1.4196 -1.4190 -1.0988 -1.0966 -0.2741 -0.2719 0.1642 0.1665 0.8354 0.8370 0.8881 0.8916 1.6549 1.6553 1.9936 1.9941 2.4753 2.4754 2.9289 2.9291 3.4166 3.4169 3.5179 3.5179 3.6947 3.6949 4.3531 4.3540 4.8768 4.8769 5.1390 5.1391 12.2032 12.2039 12.3317 12.3322 12.6994 12.7005 13.0539 13.0544 13.8344 13.8367 k = 0.0000 0.5597 0.1958 ( 4278 PWs) bands (ev): -13.1614 -13.1613 -12.8820 -12.8819 -10.5978 -10.5977 -10.2791 -10.2787 -8.8419 -8.8413 -8.8248 -8.8244 -2.9824 -2.9813 -2.5058 -2.5040 -1.4131 -1.4125 -1.0505 -1.0481 -0.2397 -0.2374 0.1391 0.1415 0.8218 0.8234 0.8671 0.8708 1.6508 1.6512 1.9896 1.9903 2.4547 2.4547 2.9326 2.9327 3.4318 3.4321 3.5288 3.5291 3.6887 3.6888 4.3554 4.3564 4.8792 4.8793 5.1339 5.1340 12.1657 12.1663 12.3050 12.3058 12.6781 12.6791 13.0713 13.0722 13.8360 13.8384 k = 0.0000 0.5597 0.2122 ( 4278 PWs) bands (ev): -13.1554 -13.1553 -12.8847 -12.8846 -10.5776 -10.5775 -10.2639 -10.2634 -8.8795 -8.8789 -8.8579 -8.8574 -2.9691 -2.9679 -2.4928 -2.4909 -1.4066 -1.4060 -1.0009 -0.9984 -0.2024 -0.2000 0.1127 0.1152 0.8103 0.8120 0.8469 0.8508 1.6453 1.6457 1.9824 1.9832 2.4361 2.4362 2.9347 2.9348 3.4455 3.4458 3.5383 3.5389 3.6845 3.6847 4.3572 4.3582 4.8817 4.8818 5.1284 5.1285 12.1314 12.1318 12.2821 12.2831 12.6580 12.6589 13.0869 13.0883 13.8357 13.8382 k = 0.0000 0.5597 0.2285 ( 4276 PWs) bands (ev): -13.1490 -13.1489 -12.8876 -12.8875 -10.5559 -10.5558 -10.2474 -10.2469 -8.9190 -8.9185 -8.8927 -8.8920 -2.9546 -2.9534 -2.4799 -2.4781 -1.4000 -1.3995 -0.9511 -0.9484 -0.1624 -0.1599 0.0857 0.0883 0.8013 0.8030 0.8277 0.8318 1.6384 1.6388 1.9715 1.9724 2.4199 2.4201 2.9349 2.9349 3.4577 3.4580 3.5449 3.5460 3.6837 3.6841 4.3582 4.3593 4.8843 4.8844 5.1225 5.1226 12.1010 12.1012 12.2633 12.2645 12.6394 12.6401 13.1002 13.1021 13.8343 13.8368 k = 0.0000 0.5597 0.2448 ( 4276 PWs) bands (ev): -13.1423 -13.1423 -12.8908 -12.8907 -10.5326 -10.5325 -10.2298 -10.2292 -8.9604 -8.9599 -8.9288 -8.9281 -2.9391 -2.9378 -2.4675 -2.4657 -1.3934 -1.3930 -0.9020 -0.8991 -0.1201 -0.1174 0.0591 0.0618 0.7949 0.7964 0.8101 0.8144 1.6302 1.6306 1.9567 1.9578 2.4063 2.4067 2.9330 2.9330 3.4682 3.4685 3.5474 3.5489 3.6877 3.6884 4.3583 4.3594 4.8871 4.8871 5.1162 5.1164 12.0751 12.0751 12.2491 12.2506 12.6225 12.6231 13.1109 13.1133 13.8324 13.8350 k = 0.0000 0.5597 0.2611 ( 4276 PWs) bands (ev): -13.1353 -13.1352 -12.8943 -12.8942 -10.5079 -10.5078 -10.2110 -10.2103 -9.0034 -9.0029 -8.9662 -8.9654 -2.9224 -2.9211 -2.4559 -2.4542 -1.3865 -1.3862 -0.8551 -0.8520 -0.0758 -0.0730 0.0341 0.0368 0.7910 0.7915 0.7955 0.7989 1.6206 1.6210 1.9381 1.9393 2.3956 2.3960 2.9287 2.9288 3.4768 3.4771 3.5451 3.5469 3.6973 3.6982 4.3574 4.3585 4.8900 4.8901 5.1095 5.1098 12.0539 12.0541 12.2400 12.2417 12.6075 12.6081 13.1185 13.1213 13.8306 13.8331 k = 0.0000 0.5597 0.2774 ( 4276 PWs) bands (ev): -13.1280 -13.1279 -12.8980 -12.8979 -10.4816 -10.4815 -10.1910 -10.1903 -9.0477 -9.0472 -9.0048 -9.0039 -2.9047 -2.9033 -2.4452 -2.4436 -1.3792 -1.3791 -0.8120 -0.8087 -0.0301 -0.0274 0.0123 0.0150 0.7804 0.7854 0.7901 0.7920 1.6097 1.6100 1.9157 1.9170 2.3875 2.3881 2.9219 2.9221 3.4836 3.4838 3.5385 3.5406 3.7120 3.7129 4.3552 4.3564 4.8932 4.8932 5.1026 5.1029 12.0382 12.0385 12.2361 12.2380 12.5948 12.5953 13.1226 13.1260 13.8290 13.8315 k = 0.0000 0.5597 0.2938 ( 4280 PWs) bands (ev): -13.1205 -13.1204 -12.9020 -12.9019 -10.4539 -10.4537 -10.1699 -10.1692 -9.0932 -9.0928 -9.0443 -9.0433 -2.8860 -2.8846 -2.4359 -2.4344 -1.3713 -1.3713 -0.7744 -0.7710 -0.0056 -0.0028 0.0168 0.0197 0.7700 0.7752 0.7916 0.7934 1.5974 1.5978 1.8898 1.8912 2.3821 2.3827 2.9124 2.9127 3.4885 3.4886 3.5289 3.5311 3.7308 3.7317 4.3517 4.3528 4.8967 4.8967 5.0954 5.0957 12.0282 12.0286 12.2376 12.2397 12.5844 12.5849 13.1231 13.1269 13.8281 13.8305 k = 0.0000 0.5597 0.3101 ( 4276 PWs) bands (ev): -13.1127 -13.1126 -12.9063 -12.9062 -10.4247 -10.4246 -10.1478 -10.1471 -9.1396 -9.1392 -9.0845 -9.0835 -2.8663 -2.8649 -2.4280 -2.4267 -1.3626 -1.3625 -0.7444 -0.7409 -0.0162 -0.0134 0.0628 0.0657 0.7631 0.7683 0.7959 0.7977 1.5839 1.5842 1.8607 1.8621 2.3790 2.3796 2.9002 2.9006 3.4915 3.4915 3.5173 3.5197 3.7524 3.7533 4.3466 4.3478 4.9004 4.9005 5.0880 5.0883 12.0242 12.0247 12.2447 12.2470 12.5765 12.5770 13.1198 13.1241 13.8279 13.8281 k = 0.0000 0.5597 0.3264 ( 4278 PWs) bands (ev): -13.1047 -13.1046 -12.9109 -12.9108 -10.3942 -10.3940 -10.1246 -10.1239 -9.1868 -9.1864 -9.1254 -9.1244 -2.8458 -2.8443 -2.4219 -2.4208 -1.3528 -1.3525 -0.7237 -0.7201 -0.0191 -0.0162 0.1078 0.1107 0.7602 0.7655 0.8031 0.8049 1.5690 1.5693 1.8286 1.8301 2.3780 2.3786 2.8852 2.8856 3.4926 3.4927 3.5048 3.5073 3.7762 3.7770 4.3400 4.3411 4.9044 4.9046 5.0804 5.0807 12.0264 12.0269 12.2572 12.2598 12.5713 12.5718 13.1126 13.1174 13.7809 13.7839 k = 0.0000 0.5597 0.3427 ( 4276 PWs) bands (ev): -13.0965 -13.0964 -12.9158 -12.9157 -10.3622 -10.3621 -10.1005 -10.0997 -9.2345 -9.2341 -9.1667 -9.1656 -2.8244 -2.8229 -2.4178 -2.4169 -1.3416 -1.3411 -0.7135 -0.7098 -0.0132 -0.0103 0.1506 0.1533 0.7622 0.7675 0.8134 0.8151 1.5528 1.5530 1.7939 1.7954 2.3790 2.3796 2.8675 2.8679 3.4913 3.4914 3.4928 3.4955 3.8014 3.8022 4.3318 4.3329 4.9088 4.9090 5.0726 5.0730 12.0349 12.0354 12.2752 12.2780 12.5686 12.5692 13.1018 13.1071 13.7204 13.7237 k = 0.0000 0.5597 0.3590 ( 4278 PWs) bands (ev): -13.0882 -13.0881 -12.9210 -12.9209 -10.3290 -10.3288 -10.0755 -10.0747 -9.2824 -9.2820 -9.2082 -9.2072 -2.8023 -2.8007 -2.4159 -2.4152 -1.3288 -1.3280 -0.7139 -0.7102 0.0011 0.0042 0.1899 0.1924 0.7699 0.7751 0.8269 0.8285 1.5352 1.5353 1.7569 1.7583 2.3817 2.3823 2.8470 2.8474 3.4795 3.4815 3.4902 3.4909 3.8277 3.8283 4.3220 4.3230 4.9135 4.9137 5.0648 5.0652 12.0497 12.0501 12.2983 12.3013 12.5687 12.5693 13.0874 13.0933 13.6537 13.6573 k = 0.0000 0.5597 0.3754 ( 4282 PWs) bands (ev): -13.0798 -13.0797 -12.9264 -12.9263 -10.2946 -10.2944 -10.0498 -10.0489 -9.3304 -9.3300 -9.2499 -9.2488 -2.7795 -2.7779 -2.4162 -2.4158 -1.3141 -1.3131 -0.7241 -0.7204 0.0227 0.0259 0.2245 0.2266 0.7840 0.7890 0.8438 0.8453 1.5161 1.5161 1.7177 1.7192 2.3863 2.3868 2.8240 2.8244 3.4677 3.4700 3.4867 3.4874 3.8547 3.8552 4.3105 4.3115 4.9185 4.9188 5.0569 5.0573 12.0707 12.0711 12.3261 12.3294 12.5714 12.5722 13.0700 13.0764 13.5823 13.5862 k = 0.0000 0.5597 0.3917 ( 4282 PWs) bands (ev): -13.0713 -13.0711 -12.9321 -12.9320 -10.2589 -10.2587 -10.0235 -10.0226 -9.3780 -9.3776 -9.2915 -9.2904 -2.7562 -2.7546 -2.4190 -2.4188 -1.2973 -1.2961 -0.7424 -0.7388 0.0497 0.0530 0.2535 0.2552 0.8048 0.8094 0.8642 0.8657 1.4953 1.4954 1.6767 1.6781 2.3925 2.3930 2.7987 2.7991 3.4570 3.4594 3.4822 3.4830 3.8820 3.8825 4.2975 4.2984 4.9238 4.9241 5.0489 5.0494 12.0977 12.0981 12.3580 12.3616 12.5768 12.5777 13.0497 13.0567 13.5082 13.5124 k = 0.0000 0.5597 0.4080 ( 4278 PWs) bands (ev): -13.0627 -13.0626 -12.9381 -12.9380 -10.2223 -10.2220 -9.9970 -9.9960 -9.4249 -9.4245 -9.3328 -9.3317 -2.7325 -2.7309 -2.4242 -2.4242 -1.2784 -1.2769 -0.7673 -0.7637 0.0800 0.0833 0.2763 0.2775 0.8320 0.8362 0.8883 0.8897 1.4729 1.4730 1.6339 1.6353 2.4005 2.4010 2.7714 2.7718 3.4476 3.4500 3.4767 3.4776 3.9096 3.9101 4.2829 4.2837 4.9294 4.9298 5.0411 5.0416 12.1307 12.1309 12.3931 12.3970 12.5847 12.5858 13.0269 13.0345 13.4336 13.4379 k = 0.0000 0.5597 0.4243 ( 4282 PWs) bands (ev): -13.0541 -13.0539 -12.9444 -12.9443 -10.1846 -10.1844 -9.9706 -9.9696 -9.4705 -9.4702 -9.3736 -9.3725 -2.7084 -2.7068 -2.4320 -2.4318 -1.2572 -1.2555 -0.7970 -0.7934 0.1115 0.1148 0.2931 0.2937 0.8651 0.8688 0.9161 0.9173 1.4488 1.4490 1.5897 1.5910 2.4104 2.4107 2.7426 2.7429 3.4397 3.4421 3.4705 3.4715 3.9373 3.9376 4.2669 4.2676 4.9353 4.9356 5.0332 5.0337 12.1691 12.1693 12.4301 12.4344 12.5950 12.5964 13.0016 13.0097 13.3612 13.3656 k = 0.0000 0.5597 0.4406 ( 4274 PWs) bands (ev): -13.0455 -13.0453 -12.9510 -12.9509 -10.1463 -10.1460 -9.9450 -9.9441 -9.5141 -9.5137 -9.4138 -9.4127 -2.6842 -2.6826 -2.4422 -2.4418 -1.2337 -1.2318 -0.8300 -0.8266 0.1427 0.1460 0.3042 0.3042 0.9028 0.9059 0.9474 0.9484 1.4230 1.4233 1.5444 1.5456 2.4221 2.4224 2.7127 2.7129 3.4335 3.4358 3.4638 3.4651 3.9648 3.9651 4.2494 4.2501 4.9413 4.9418 5.0254 5.0260 12.2126 12.2126 12.4673 12.4719 12.6077 12.6094 12.9734 12.9817 13.2948 13.2990 k = 0.0000 0.5597 0.4570 ( 4270 PWs) bands (ev): -13.0369 -13.0368 -12.9578 -12.9577 -10.1073 -10.1070 -9.9216 -9.9206 -9.5543 -9.5539 -9.4530 -9.4519 -2.6599 -2.6583 -2.4546 -2.4540 -1.2080 -1.2059 -0.8654 -0.8620 0.1723 0.1756 0.3096 0.3101 0.9435 0.9462 0.9817 0.9826 1.3958 1.3962 1.4982 1.4994 2.4359 2.4361 2.6821 2.6823 3.4288 3.4311 3.4570 3.4584 3.9921 3.9923 4.2308 4.2313 4.9476 4.9480 5.0178 5.0183 12.2603 12.2605 12.5020 12.5069 12.6226 12.6246 12.9412 12.9491 13.2393 13.2428 k = 0.0000 0.5597 0.4733 ( 4278 PWs) bands (ev): -13.0284 -13.0282 -12.9649 -12.9647 -10.0681 -10.0679 -9.9022 -9.9013 -9.5891 -9.5886 -9.4909 -9.4898 -2.6357 -2.6342 -2.4690 -2.4683 -1.1801 -1.1778 -0.9021 -0.8988 0.1997 0.2029 0.3107 0.3117 0.9857 0.9879 1.0182 1.0188 1.3675 1.3680 1.4518 1.4530 2.4518 2.4519 2.6514 2.6516 3.4258 3.4281 3.4503 3.4518 4.0190 4.0192 4.2109 4.2113 4.9540 4.9545 5.0102 5.0108 12.3116 12.3118 12.5308 12.5357 12.6396 12.6420 12.9039 12.9105 13.2008 13.2029 k = 0.0000 0.5597 0.4896 ( 4282 PWs) bands (ev): -13.0199 -13.0198 -12.9721 -12.9720 -10.0292 -10.0289 -9.8900 -9.8892 -9.6152 -9.6146 -9.5270 -9.5259 -2.6119 -2.6104 -2.4854 -2.4845 -1.1501 -1.1477 -0.9394 -0.9362 0.2243 0.2274 0.3079 0.3093 1.0275 1.0292 1.0551 1.0554 1.3395 1.3399 1.4062 1.4073 2.4698 2.4700 2.6211 2.6213 3.4244 3.4266 3.4439 3.4456 4.0455 4.0456 4.1899 4.1903 4.9606 4.9611 5.0028 5.0033 12.3651 12.3654 12.5497 12.5542 12.6587 12.6615 12.8614 12.8658 13.1839 13.1842 k = 0.0000 0.5597 0.5059 ( 4278 PWs) bands (ev): -13.0116 -13.0114 -12.9797 -12.9795 -9.9913 -9.9910 -9.8890 -9.8883 -9.6287 -9.6280 -9.5604 -9.5593 -2.5885 -2.5870 -2.5035 -2.5024 -1.1183 -1.1157 -0.9767 -0.9736 0.2459 0.2488 0.3017 0.3035 1.0664 1.0679 1.0890 1.0891 1.3144 1.3147 1.3630 1.3640 2.4901 2.4902 2.5917 2.5918 3.4245 3.4267 3.4381 3.4399 4.0714 4.0714 4.1679 4.1682 4.9673 4.9678 4.9954 4.9960 12.4188 12.4192 12.5545 12.5580 12.6804 12.6834 12.8166 12.8185 13.1888 13.1901 k = 0.0000 0.5597 0.5222 ( 4280 PWs) bands (ev): -13.0033 -13.0032 -12.9874 -12.9872 -9.9557 -9.9553 -9.9010 -9.9005 -9.6275 -9.6267 -9.5899 -9.5889 -2.5657 -2.5643 -2.5230 -2.5218 -1.0847 -1.0820 -1.0137 -1.0107 0.2645 0.2671 0.2923 0.2945 1.0985 1.0997 1.1128 1.1131 1.2988 1.2988 1.3258 1.3267 2.5126 2.5127 2.5636 2.5637 3.4261 3.4282 3.4331 3.4350 4.0967 4.0967 4.1450 4.1452 4.9742 4.9747 4.9882 4.9888 12.4698 12.4699 12.5422 12.5443 12.7056 12.7084 12.7739 12.7744 13.2153 13.2176 k = 0.0000 0.5597 0.5386 ( 4284 PWs) bands (ev): -12.9953 -12.9953 -12.9951 -12.9951 -9.9245 -9.9245 -9.9241 -9.9241 -9.6133 -9.6133 -9.6124 -9.6124 -2.5438 -2.5438 -2.5425 -2.5425 -1.0498 -1.0498 -1.0469 -1.0469 0.2799 0.2799 0.2824 0.2824 1.1167 1.1167 1.1175 1.1175 1.3017 1.3017 1.3023 1.3023 2.5372 2.5372 2.5372 2.5372 3.4290 3.4290 3.4310 3.4310 4.1212 4.1212 4.1214 4.1214 4.9811 4.9811 4.9817 4.9817 12.5128 12.5128 12.5135 12.5135 12.7361 12.7361 12.7382 12.7382 13.2602 13.2602 k = 0.0000 0.5597 0.5386 ( 4284 PWs) bands (ev): -12.9953 -12.9953 -12.9951 -12.9951 -9.9245 -9.9245 -9.9241 -9.9241 -9.6133 -9.6133 -9.6124 -9.6124 -2.5438 -2.5438 -2.5425 -2.5425 -1.0498 -1.0498 -1.0469 -1.0469 0.2799 0.2799 0.2824 0.2824 1.1167 1.1167 1.1175 1.1175 1.3017 1.3017 1.3023 1.3023 2.5372 2.5372 2.5372 2.5372 3.4290 3.4290 3.4310 3.4310 4.1212 4.1212 4.1214 4.1214 4.9811 4.9811 4.9817 4.9817 12.5128 12.5128 12.5135 12.5135 12.7361 12.7361 12.7382 12.7382 13.2602 13.2602 k = 0.0164 0.5597 0.5386 ( 4284 PWs) bands (ev): -12.9951 -12.9951 -12.9950 -12.9950 -9.9268 -9.9268 -9.9263 -9.9263 -9.6114 -9.6114 -9.6104 -9.6104 -2.5421 -2.5421 -2.5408 -2.5408 -1.0527 -1.0527 -1.0499 -1.0499 0.2814 0.2814 0.2839 0.2839 1.1126 1.1126 1.1154 1.1154 1.3040 1.3040 1.3070 1.3070 2.5361 2.5361 2.5365 2.5365 3.4303 3.4303 3.4324 3.4324 4.1216 4.1216 4.1219 4.1219 4.9791 4.9791 4.9797 4.9797 12.5122 12.5122 12.5134 12.5134 12.7362 12.7362 12.7386 12.7386 13.2591 13.2591 k = 0.0329 0.5597 0.5386 ( 4280 PWs) bands (ev): -12.9946 -12.9946 -12.9944 -12.9944 -9.9335 -9.9335 -9.9328 -9.9328 -9.6057 -9.6057 -9.6047 -9.6047 -2.5369 -2.5369 -2.5355 -2.5355 -1.0615 -1.0615 -1.0586 -1.0586 0.2858 0.2858 0.2883 0.2883 1.1030 1.1030 1.1078 1.1078 1.3128 1.3128 1.3182 1.3182 2.5332 2.5332 2.5340 2.5340 3.4343 3.4343 3.4364 3.4364 4.1227 4.1227 4.1233 4.1233 4.9732 4.9732 4.9740 4.9740 12.5109 12.5109 12.5127 12.5127 12.7365 12.7365 12.7396 12.7396 13.2558 13.2558 k = 0.0493 0.5597 0.5386 ( 4274 PWs) bands (ev): -12.9937 -12.9937 -12.9935 -12.9935 -9.9440 -9.9440 -9.9432 -9.9432 -9.5968 -9.5968 -9.5956 -9.5956 -2.5282 -2.5282 -2.5268 -2.5268 -1.0759 -1.0759 -1.0731 -1.0731 0.2930 0.2930 0.2956 0.2956 1.0896 1.0896 1.0958 1.0958 1.3269 1.3269 1.3341 1.3341 2.5287 2.5287 2.5299 2.5299 3.4407 3.4407 3.4429 3.4429 4.1248 4.1248 4.1256 4.1256 4.9634 4.9634 4.9644 4.9644 12.5088 12.5088 12.5113 12.5113 12.7373 12.7373 12.7411 12.7411 13.2505 13.2505 k = 0.0657 0.5597 0.5386 ( 4274 PWs) bands (ev): -12.9924 -12.9924 -12.9923 -12.9923 -9.9578 -9.9578 -9.9568 -9.9568 -9.5851 -9.5851 -9.5838 -9.5838 -2.5161 -2.5161 -2.5147 -2.5147 -1.0958 -1.0958 -1.0930 -1.0930 0.3028 0.3028 0.3055 0.3055 1.0739 1.0739 1.0809 1.0809 1.3447 1.3447 1.3531 1.3531 2.5227 2.5227 2.5242 2.5242 3.4494 3.4494 3.4516 3.4516 4.1277 4.1277 4.1288 4.1288 4.9499 4.9499 4.9511 4.9511 12.5061 12.5061 12.5092 12.5092 12.7386 12.7386 12.7432 12.7432 13.2434 13.2434 k = 0.0821 0.5597 0.5386 ( 4268 PWs) bands (ev): -12.9908 -12.9908 -12.9907 -12.9907 -9.9741 -9.9741 -9.9730 -9.9730 -9.5714 -9.5714 -9.5700 -9.5700 -2.5006 -2.5006 -2.4991 -2.4991 -1.1209 -1.1209 -1.1181 -1.1181 0.3148 0.3148 0.3177 0.3177 1.0569 1.0569 1.0644 1.0644 1.3651 1.3651 1.3743 1.3743 2.5154 2.5154 2.5172 2.5172 3.4600 3.4600 3.4623 3.4623 4.1317 4.1317 4.1330 4.1330 4.9328 4.9328 4.9342 4.9342 12.5027 12.5027 12.5064 12.5064 12.7406 12.7406 12.7459 12.7459 13.2348 13.2348 k = 0.0986 0.5597 0.5386 ( 4268 PWs) bands (ev): -12.9890 -12.9890 -12.9888 -12.9888 -9.9924 -9.9924 -9.9912 -9.9912 -9.5560 -9.5560 -9.5546 -9.5546 -2.4819 -2.4819 -2.4803 -2.4803 -1.1507 -1.1507 -1.1479 -1.1479 0.3289 0.3289 0.3319 0.3319 1.0392 1.0392 1.0470 1.0470 1.3870 1.3870 1.3969 1.3969 2.5070 2.5070 2.5091 2.5091 3.4722 3.4722 3.4746 3.4746 4.1369 4.1369 4.1383 4.1383 4.9123 4.9123 4.9140 4.9140 12.4986 12.4986 12.5027 12.5027 12.7433 12.7433 12.7493 12.7493 13.2249 13.2249 k = 0.1150 0.5597 0.5386 ( 4264 PWs) bands (ev): -12.9868 -12.9868 -12.9867 -12.9867 -10.0122 -10.0122 -10.0109 -10.0109 -9.5396 -9.5396 -9.5381 -9.5381 -2.4600 -2.4600 -2.4583 -2.4583 -1.1849 -1.1849 -1.1821 -1.1821 0.3446 0.3446 0.3477 0.3477 1.0214 1.0214 1.0293 1.0293 1.4100 1.4100 1.4203 1.4203 2.4978 2.4978 2.5002 2.5002 3.4857 3.4857 3.4880 3.4880 4.1432 4.1432 4.1449 4.1449 4.8887 4.8887 4.8906 4.8906 12.4937 12.4937 12.4981 12.4981 12.7468 12.7468 12.7533 12.7533 13.2140 13.2140 k = 0.1314 0.5597 0.5386 ( 4256 PWs) bands (ev): -12.9844 -12.9844 -12.9842 -12.9842 -10.0331 -10.0331 -10.0317 -10.0317 -9.5224 -9.5224 -9.5209 -9.5209 -2.4350 -2.4350 -2.4332 -2.4332 -1.2231 -1.2231 -1.2204 -1.2204 0.3617 0.3617 0.3649 0.3649 1.0038 1.0038 1.0117 1.0117 1.4336 1.4336 1.4442 1.4442 2.4881 2.4881 2.4906 2.4906 3.4998 3.4998 3.5021 3.5021 4.1509 4.1509 4.1528 4.1528 4.8621 4.8621 4.8643 4.8643 12.4880 12.4880 12.4925 12.4925 12.7512 12.7512 12.7582 12.7582 13.2026 13.2026 k = 0.1478 0.5597 0.5386 ( 4256 PWs) bands (ev): -12.9817 -12.9817 -12.9816 -12.9816 -10.0547 -10.0547 -10.0533 -10.0533 -9.5047 -9.5047 -9.5032 -9.5032 -2.4070 -2.4070 -2.4051 -2.4051 -1.2650 -1.2650 -1.2623 -1.2623 0.3797 0.3797 0.3831 0.3831 0.9865 0.9865 0.9943 0.9943 1.4575 1.4575 1.4682 1.4682 2.4781 2.4781 2.4808 2.4808 3.5143 3.5143 3.5165 3.5165 4.1601 4.1601 4.1622 4.1622 4.8330 4.8330 4.8354 4.8354 12.4814 12.4814 12.4860 12.4860 12.7564 12.7564 12.7639 12.7639 13.1908 13.1908 k = 0.1643 0.5597 0.5386 ( 4246 PWs) bands (ev): -12.9789 -12.9789 -12.9787 -12.9787 -10.0768 -10.0768 -10.0753 -10.0753 -9.4868 -9.4868 -9.4852 -9.4852 -2.3761 -2.3761 -2.3741 -2.3741 -1.3102 -1.3102 -1.3075 -1.3075 0.3985 0.3985 0.4020 0.4020 0.9698 0.9698 0.9775 0.9775 1.4813 1.4813 1.4922 1.4922 2.4680 2.4680 2.4709 2.4709 3.5286 3.5286 3.5307 3.5307 4.1711 4.1711 4.1732 4.1732 4.8016 4.8016 4.8042 4.8042 12.4738 12.4738 12.4784 12.4784 12.7624 12.7624 12.7703 12.7703 13.1791 13.1791 k = 0.1807 0.5597 0.5386 ( 4246 PWs) bands (ev): -12.9759 -12.9759 -12.9757 -12.9757 -10.0990 -10.0990 -10.0976 -10.0976 -9.4686 -9.4686 -9.4670 -9.4670 -2.3426 -2.3426 -2.3405 -2.3405 -1.3583 -1.3583 -1.3556 -1.3556 0.4177 0.4177 0.4213 0.4213 0.9538 0.9538 0.9613 0.9613 1.5049 1.5049 1.5159 1.5159 2.4582 2.4582 2.4611 2.4611 3.5423 3.5423 3.5441 3.5441 4.1838 4.1838 4.1860 4.1860 4.7683 4.7683 4.7711 4.7711 12.4652 12.4652 12.4697 12.4697 12.7692 12.7692 12.7775 12.7775 13.1678 13.1678 k = 0.1971 0.5597 0.5386 ( 4248 PWs) bands (ev): -12.9727 -12.9727 -12.9726 -12.9726 -10.1214 -10.1214 -10.1199 -10.1199 -9.4504 -9.4504 -9.4488 -9.4488 -2.3066 -2.3066 -2.3043 -2.3043 -1.4090 -1.4090 -1.4063 -1.4063 0.4371 0.4371 0.4408 0.4408 0.9387 0.9387 0.9459 0.9459 1.5279 1.5279 1.5390 1.5390 2.4487 2.4487 2.4517 2.4517 3.5549 3.5549 3.5565 3.5565 4.1985 4.1985 4.2008 4.2008 4.7334 4.7334 4.7364 4.7364 12.4554 12.4554 12.4597 12.4597 12.7767 12.7767 12.7852 12.7852 13.1573 13.1573 k = 0.2135 0.5597 0.5386 ( 4250 PWs) bands (ev): -12.9695 -12.9695 -12.9694 -12.9694 -10.1435 -10.1435 -10.1420 -10.1420 -9.4323 -9.4323 -9.4307 -9.4307 -2.2682 -2.2682 -2.2658 -2.2658 -1.4621 -1.4621 -1.4593 -1.4593 0.4564 0.4564 0.4602 0.4602 0.9245 0.9245 0.9315 0.9315 1.5502 1.5502 1.5613 1.5613 2.4400 2.4400 2.4430 2.4430 3.5661 3.5661 3.5675 3.5675 4.2152 4.2152 4.2176 4.2176 4.6973 4.6973 4.7005 4.7005 12.4442 12.4442 12.4485 12.4485 12.7845 12.7845 12.7934 12.7934 13.1481 13.1481 k = 0.2300 0.5597 0.5386 ( 4256 PWs) bands (ev): -12.9663 -12.9663 -12.9662 -12.9662 -10.1653 -10.1653 -10.1639 -10.1639 -9.4142 -9.4142 -9.4126 -9.4126 -2.2277 -2.2277 -2.2252 -2.2252 -1.5171 -1.5171 -1.5144 -1.5144 0.4753 0.4753 0.4792 0.4792 0.9114 0.9114 0.9182 0.9182 1.5714 1.5714 1.5825 1.5825 2.4321 2.4321 2.4351 2.4351 3.5755 3.5755 3.5767 3.5767 4.2341 4.2341 4.2366 4.2366 4.6605 4.6605 4.6638 4.6638 12.4317 12.4317 12.4358 12.4358 12.7925 12.7925 12.8017 12.8017 13.1407 13.1407 k = 0.2464 0.5597 0.5386 ( 4262 PWs) bands (ev): -12.9631 -12.9631 -12.9630 -12.9630 -10.1867 -10.1867 -10.1853 -10.1853 -9.3964 -9.3964 -9.3948 -9.3948 -2.1853 -2.1853 -2.1827 -2.1827 -1.5740 -1.5740 -1.5712 -1.5712 0.4936 0.4936 0.4975 0.4975 0.8996 0.8996 0.9062 0.9062 1.5913 1.5913 1.6025 1.6025 2.4254 2.4254 2.4283 2.4283 3.5829 3.5829 3.5839 3.5839 4.2552 4.2552 4.2578 4.2578 4.6232 4.6232 4.6267 4.6267 12.4177 12.4177 12.4217 12.4217 12.8004 12.8004 12.8097 12.8097 13.1354 13.1354 k = 0.2628 0.5597 0.5386 ( 4256 PWs) bands (ev): -12.9600 -12.9600 -12.9598 -12.9598 -10.2075 -10.2075 -10.2060 -10.2060 -9.3787 -9.3787 -9.3771 -9.3771 -2.1413 -2.1413 -2.1385 -2.1385 -1.6322 -1.6322 -1.6293 -1.6293 0.5110 0.5110 0.5150 0.5150 0.8894 0.8894 0.8957 0.8957 1.6097 1.6097 1.6208 1.6208 2.4200 2.4200 2.4229 2.4229 3.5882 3.5882 3.5890 3.5890 4.2785 4.2785 4.2811 4.2811 4.5859 4.5859 4.5895 4.5895 12.4022 12.4022 12.4060 12.4060 12.8077 12.8077 12.8172 12.8172 13.1328 13.1328 k = 0.2792 0.5597 0.5386 ( 4258 PWs) bands (ev): -12.9569 -12.9569 -12.9568 -12.9568 -10.2275 -10.2275 -10.2261 -10.2261 -9.3612 -9.3612 -9.3596 -9.3596 -2.0961 -2.0961 -2.0932 -2.0932 -1.6915 -1.6915 -1.6885 -1.6885 0.5271 0.5271 0.5312 0.5312 0.8809 0.8809 0.8870 0.8870 1.6262 1.6262 1.6373 1.6373 2.4161 2.4161 2.4189 2.4189 3.5911 3.5911 3.5919 3.5919 4.3037 4.3037 4.3065 4.3065 4.5490 4.5490 4.5527 4.5527 12.3851 12.3851 12.3888 12.3888 12.8140 12.8140 12.8236 12.8236 13.1334 13.1334 k = 0.2957 0.5597 0.5386 ( 4266 PWs) bands (ev): -12.9541 -12.9541 -12.9539 -12.9539 -10.2467 -10.2467 -10.2453 -10.2453 -9.3439 -9.3439 -9.3424 -9.3424 -2.0504 -2.0504 -2.0473 -2.0473 -1.7511 -1.7511 -1.7480 -1.7480 0.5417 0.5417 0.5458 0.5458 0.8746 0.8746 0.8805 0.8805 1.6405 1.6405 1.6515 1.6515 2.4140 2.4140 2.4167 2.4167 3.5918 3.5918 3.5927 3.5927 4.3307 4.3307 4.3336 4.3336 4.5129 4.5129 4.5166 4.5166 12.3663 12.3663 12.3700 12.3700 12.8191 12.8191 12.8286 12.8286 13.1375 13.1375 k = 0.3121 0.5597 0.5386 ( 4272 PWs) bands (ev): -12.9514 -12.9514 -12.9513 -12.9513 -10.2649 -10.2649 -10.2635 -10.2635 -9.3269 -9.3269 -9.3254 -9.3254 -2.0062 -2.0062 -2.0030 -2.0030 -1.8091 -1.8091 -1.8058 -1.8058 0.5543 0.5543 0.5584 0.5584 0.8708 0.8708 0.8765 0.8765 1.6523 1.6523 1.6632 1.6632 2.4140 2.4140 2.4166 2.4166 3.5904 3.5904 3.5914 3.5914 4.3590 4.3590 4.3621 4.3621 4.4782 4.4782 4.4819 4.4819 12.3460 12.3460 12.3496 12.3496 12.8226 12.8226 12.8320 12.8320 13.1451 13.1451 k = 0.3285 0.5597 0.5386 ( 4274 PWs) bands (ev): -12.9491 -12.9491 -12.9489 -12.9489 -10.2821 -10.2821 -10.2807 -10.2807 -9.3101 -9.3101 -9.3086 -9.3086 -1.9716 -1.9716 -1.9688 -1.9688 -1.8568 -1.8568 -1.8539 -1.8539 0.5646 0.5646 0.5687 0.5687 0.8699 0.8699 0.8753 0.8753 1.6613 1.6613 1.6721 1.6721 2.4161 2.4161 2.4186 2.4186 3.5871 3.5871 3.5882 3.5882 4.3864 4.3864 4.3898 4.3898 4.4473 4.4473 4.4506 4.4506 12.3242 12.3242 12.3278 12.3278 12.8245 12.8245 12.8337 12.8337 13.1563 13.1563 k = 0.3449 0.5597 0.5386 ( 4278 PWs) bands (ev): -12.9470 -12.9470 -12.9469 -12.9469 -10.2981 -10.2981 -10.2968 -10.2968 -9.2936 -9.2936 -9.2921 -9.2921 -1.9787 -1.9787 -1.9785 -1.9785 -1.8609 -1.8609 -1.8602 -1.8602 0.5722 0.5722 0.5762 0.5762 0.8721 0.8721 0.8774 0.8774 1.6672 1.6672 1.6779 1.6779 2.4206 2.4206 2.4230 2.4230 3.5821 3.5821 3.5833 3.5833 4.3949 4.3949 4.3983 4.3983 4.4392 4.4392 4.4400 4.4400 12.3008 12.3008 12.3044 12.3044 12.8248 12.8248 12.8338 12.8338 13.1707 13.1707 k = 0.3449 0.5597 0.5386 ( 4278 PWs) bands (ev): -12.9470 -12.9470 -12.9469 -12.9469 -10.2981 -10.2981 -10.2968 -10.2968 -9.2936 -9.2936 -9.2921 -9.2921 -1.9787 -1.9787 -1.9785 -1.9785 -1.8609 -1.8609 -1.8602 -1.8602 0.5722 0.5722 0.5762 0.5762 0.8721 0.8721 0.8774 0.8774 1.6672 1.6672 1.6779 1.6779 2.4206 2.4206 2.4230 2.4230 3.5821 3.5821 3.5833 3.5833 4.3949 4.3949 4.3983 4.3983 4.4392 4.4392 4.4400 4.4400 12.3008 12.3008 12.3044 12.3044 12.8248 12.8248 12.8338 12.8338 13.1707 13.1707 k = 0.3363 0.5457 0.5386 ( 4270 PWs) bands (ev): -12.9507 -12.9507 -12.9506 -12.9506 -10.2680 -10.2680 -10.2666 -10.2666 -9.3251 -9.3251 -9.3236 -9.3236 -1.9095 -1.9095 -1.9087 -1.9087 -1.9046 -1.9046 -1.9043 -1.9043 0.5598 0.5598 0.5638 0.5638 0.8645 0.8645 0.8701 0.8701 1.6593 1.6593 1.6702 1.6702 2.4103 2.4103 2.4129 2.4129 3.5925 3.5925 3.5936 3.5936 4.4105 4.4105 4.4115 4.4115 4.4236 4.4236 4.4272 4.4272 12.3454 12.3454 12.3490 12.3490 12.8251 12.8251 12.8345 12.8345 13.1425 13.1425 k = 0.3277 0.5318 0.5386 ( 4272 PWs) bands (ev): -12.9545 -12.9545 -12.9544 -12.9544 -10.2366 -10.2366 -10.2351 -10.2351 -9.3569 -9.3569 -9.3554 -9.3554 -1.9554 -1.9554 -1.9547 -1.9547 -1.8337 -1.8337 -1.8332 -1.8332 0.5458 0.5458 0.5499 0.5499 0.8567 0.8567 0.8627 0.8627 1.6520 1.6520 1.6631 1.6631 2.4014 2.4014 2.4042 2.4042 3.6020 3.6020 3.6028 3.6028 4.3837 4.3837 4.3846 4.3846 4.4530 4.4530 4.4564 4.4564 12.3864 12.3864 12.3899 12.3899 12.8238 12.8238 12.8335 12.8335 13.1193 13.1193 k = 0.3191 0.5178 0.5386 ( 4264 PWs) bands (ev): -12.9586 -12.9586 -12.9584 -12.9584 -10.2038 -10.2038 -10.2023 -10.2023 -9.3890 -9.3890 -9.3875 -9.3875 -2.0058 -2.0058 -2.0051 -2.0051 -1.7592 -1.7592 -1.7586 -1.7586 0.5303 0.5303 0.5343 0.5343 0.8489 0.8489 0.8551 0.8551 1.6456 1.6456 1.6567 1.6567 2.3942 2.3942 2.3971 2.3971 3.6104 3.6104 3.6110 3.6110 4.3577 4.3577 4.3585 4.3585 4.4838 4.4838 4.4871 4.4871 12.4219 12.4219 12.4252 12.4252 12.8201 12.8201 12.8301 12.8301 13.1031 13.1031 k = 0.3104 0.5038 0.5386 ( 4258 PWs) bands (ev): -12.9627 -12.9627 -12.9626 -12.9626 -10.1697 -10.1697 -10.1682 -10.1682 -9.4213 -9.4213 -9.4197 -9.4197 -2.0581 -2.0581 -2.0575 -2.0575 -1.6838 -1.6838 -1.6830 -1.6830 0.5131 0.5131 0.5170 0.5170 0.8409 0.8409 0.8475 0.8475 1.6401 1.6401 1.6512 1.6512 2.3887 2.3887 2.3918 2.3918 3.6177 3.6177 3.6181 3.6181 4.3329 4.3329 4.3337 4.3337 4.5157 4.5157 4.5189 4.5189 12.4499 12.4499 12.4527 12.4527 12.8133 12.8133 12.8237 12.8237 13.0961 13.0961 k = 0.3018 0.4898 0.5386 ( 4256 PWs) bands (ev): -12.9671 -12.9671 -12.9669 -12.9669 -10.1344 -10.1344 -10.1329 -10.1329 -9.4535 -9.4535 -9.4519 -9.4519 -2.1124 -2.1124 -2.1118 -2.1118 -1.6077 -1.6077 -1.6067 -1.6067 0.4941 0.4941 0.4979 0.4979 0.8329 0.8329 0.8398 0.8398 1.6358 1.6358 1.6468 1.6468 2.3851 2.3851 2.3883 2.3883 3.6241 3.6241 3.6243 3.6243 4.3094 4.3094 4.3102 4.3102 4.5486 4.5486 4.5516 4.5516 12.4684 12.4684 12.4708 12.4708 12.8029 12.8029 12.8135 12.8135 13.0998 13.0998 k = 0.2932 0.4758 0.5386 ( 4272 PWs) bands (ev): -12.9715 -12.9715 -12.9714 -12.9714 -10.0979 -10.0979 -10.0963 -10.0963 -9.4857 -9.4857 -9.4841 -9.4841 -2.1684 -2.1684 -2.1679 -2.1679 -1.5312 -1.5312 -1.5300 -1.5300 0.4735 0.4735 0.4771 0.4771 0.8249 0.8249 0.8321 0.8321 1.6328 1.6328 1.6436 1.6436 2.3834 2.3834 2.3869 2.3869 3.6294 3.6294 3.6296 3.6296 4.2874 4.2874 4.2882 4.2882 4.5823 4.5823 4.5851 4.5851 12.4766 12.4766 12.4786 12.4786 12.7884 12.7884 12.7991 12.7991 13.1153 13.1153 k = 0.2846 0.4618 0.5386 ( 4272 PWs) bands (ev): -12.9761 -12.9761 -12.9760 -12.9760 -10.0604 -10.0604 -10.0587 -10.0587 -9.5176 -9.5176 -9.5160 -9.5160 -2.2262 -2.2262 -2.2257 -2.2257 -1.4547 -1.4547 -1.4533 -1.4533 0.4511 0.4511 0.4546 0.4546 0.8169 0.8169 0.8245 0.8245 1.6311 1.6311 1.6418 1.6418 2.3838 2.3838 2.3875 2.3875 3.6338 3.6338 3.6342 3.6342 4.2669 4.2669 4.2676 4.2676 4.6166 4.6166 4.6193 4.6193 12.4749 12.4749 12.4764 12.4764 12.7694 12.7694 12.7801 12.7801 13.1420 13.1420 k = 0.2760 0.4478 0.5386 ( 4268 PWs) bands (ev): -12.9808 -12.9808 -12.9807 -12.9807 -10.0217 -10.0217 -10.0200 -10.0200 -9.5492 -9.5492 -9.5477 -9.5477 -2.2855 -2.2855 -2.2851 -2.2851 -1.3784 -1.3784 -1.3767 -1.3767 0.4271 0.4271 0.4303 0.4303 0.8089 0.8089 0.8169 0.8169 1.6309 1.6309 1.6413 1.6413 2.3864 2.3864 2.3902 2.3902 3.6373 3.6373 3.6380 3.6380 4.2479 4.2479 4.2486 4.2486 4.6514 4.6514 4.6540 4.6540 12.4647 12.4647 12.4658 12.4658 12.7456 12.7456 12.7563 12.7563 13.1783 13.1783 k = 0.2673 0.4338 0.5386 ( 4272 PWs) bands (ev): -12.9857 -12.9857 -12.9855 -12.9855 -9.9821 -9.9821 -9.9803 -9.9803 -9.5805 -9.5805 -9.5789 -9.5789 -2.3464 -2.3464 -2.3460 -2.3460 -1.3027 -1.3027 -1.3007 -1.3007 0.4015 0.4015 0.4046 0.4046 0.8012 0.8012 0.8094 0.8094 1.6322 1.6322 1.6423 1.6423 2.3911 2.3911 2.3951 2.3951 3.6401 3.6401 3.6411 3.6411 4.2305 4.2305 4.2311 4.2311 4.6866 4.6866 4.6890 4.6890 12.4481 12.4481 12.4489 12.4489 12.7170 12.7170 12.7277 12.7277 13.2218 13.2218 k = 0.2587 0.4198 0.5386 ( 4282 PWs) bands (ev): -12.9906 -12.9906 -12.9904 -12.9904 -9.9415 -9.9415 -9.9398 -9.9398 -9.6113 -9.6113 -9.6097 -9.6097 -2.4085 -2.4085 -2.4083 -2.4083 -1.2278 -1.2278 -1.2256 -1.2256 0.3745 0.3745 0.3773 0.3773 0.7935 0.7935 0.8022 0.8022 1.6350 1.6350 1.6448 1.6448 2.3980 2.3980 2.4022 2.4022 3.6422 3.6422 3.6436 3.6436 4.2146 4.2146 4.2151 4.2151 4.7220 4.7220 4.7241 4.7241 12.4270 12.4270 12.4276 12.4276 12.6839 12.6839 12.6944 12.6944 13.2703 13.2703 k = 0.2501 0.4058 0.5386 ( 4276 PWs) bands (ev): -12.9956 -12.9956 -12.9954 -12.9954 -9.9002 -9.9002 -9.8984 -9.8984 -9.6415 -9.6415 -9.6400 -9.6400 -2.4719 -2.4719 -2.4717 -2.4717 -1.1540 -1.1540 -1.1515 -1.1515 0.3462 0.3462 0.3488 0.3488 0.7862 0.7862 0.7951 0.7951 1.6392 1.6392 1.6487 1.6487 2.4072 2.4072 2.4115 2.4115 3.6438 3.6438 3.6455 3.6455 4.2001 4.2001 4.2006 4.2006 4.7574 4.7574 4.7594 4.7594 12.4032 12.4032 12.4035 12.4035 12.6464 12.6464 12.6567 12.6567 13.3215 13.3215 k = 0.2415 0.3918 0.5386 ( 4268 PWs) bands (ev): -13.0006 -13.0006 -13.0005 -13.0005 -9.8580 -9.8580 -9.8562 -9.8562 -9.6712 -9.6712 -9.6697 -9.6697 -2.5363 -2.5363 -2.5362 -2.5362 -1.0816 -1.0816 -1.0788 -1.0788 0.3168 0.3168 0.3192 0.3192 0.7791 0.7791 0.7884 0.7884 1.6449 1.6449 1.6540 1.6540 2.4185 2.4185 2.4230 2.4230 3.6450 3.6450 3.6470 3.6470 4.1872 4.1872 4.1876 4.1876 4.7927 4.7927 4.7945 4.7945 12.3779 12.3779 12.3781 12.3781 12.6049 12.6049 12.6150 12.6150 13.3735 13.3735 k = 0.2328 0.3778 0.5386 ( 4272 PWs) bands (ev): -13.0058 -13.0058 -13.0056 -13.0056 -9.8153 -9.8153 -9.8134 -9.8134 -9.7001 -9.7001 -9.6986 -9.6986 -2.6017 -2.6017 -2.6016 -2.6016 -1.0109 -1.0109 -1.0078 -1.0078 0.2865 0.2865 0.2886 0.2886 0.7725 0.7725 0.7820 0.7820 1.6519 1.6519 1.6606 1.6606 2.4319 2.4319 2.4366 2.4366 3.6459 3.6459 3.6482 3.6482 4.1756 4.1756 4.1759 4.1759 4.8278 4.8278 4.8294 4.8294 12.3523 12.3523 12.3524 12.3524 12.5598 12.5598 12.5697 12.5697 13.4242 13.4242 k = 0.2242 0.3638 0.5386 ( 4276 PWs) bands (ev): -13.0109 -13.0109 -13.0107 -13.0107 -9.7720 -9.7720 -9.7701 -9.7701 -9.7283 -9.7283 -9.7268 -9.7268 -2.6677 -2.6677 -2.6677 -2.6677 -0.9422 -0.9422 -0.9388 -0.9388 0.2555 0.2555 0.2574 0.2574 0.7662 0.7662 0.7761 0.7761 1.6601 1.6601 1.6685 1.6685 2.4472 2.4472 2.4521 2.4521 3.6466 3.6466 3.6492 3.6492 4.1654 4.1654 4.1656 4.1656 4.8625 4.8625 4.8639 4.8639 12.3272 12.3272 12.3272 12.3272 12.5119 12.5119 12.5214 12.5214 13.4719 13.4719 k = 0.2156 0.3498 0.5386 ( 4280 PWs) bands (ev): -13.0161 -13.0161 -13.0159 -13.0159 -9.7558 -9.7558 -9.7543 -9.7543 -9.7281 -9.7281 -9.7263 -9.7263 -2.7344 -2.7344 -2.7343 -2.7343 -0.8756 -0.8756 -0.8719 -0.8719 0.2240 0.2240 0.2256 0.2256 0.7606 0.7606 0.7707 0.7707 1.6695 1.6695 1.6775 1.6775 2.4644 2.4644 2.4695 2.4695 3.6472 3.6472 3.6502 3.6502 4.1564 4.1564 4.1566 4.1566 4.8966 4.8966 4.8979 4.8979 12.3030 12.3030 12.3032 12.3032 12.4614 12.4614 12.4706 12.4706 13.5144 13.5144 k = 0.2070 0.3358 0.5386 ( 4284 PWs) bands (ev): -13.0212 -13.0212 -13.0211 -13.0211 -9.7823 -9.7823 -9.7809 -9.7809 -9.6840 -9.6840 -9.6822 -9.6822 -2.8014 -2.8014 -2.8012 -2.8012 -0.8115 -0.8115 -0.8075 -0.8075 0.1921 0.1921 0.1936 0.1936 0.7555 0.7555 0.7658 0.7658 1.6799 1.6799 1.6875 1.6875 2.4833 2.4833 2.4885 2.4885 3.6480 3.6480 3.6514 3.6514 4.1486 4.1486 4.1488 4.1488 4.9302 4.9302 4.9312 4.9312 12.2804 12.2804 12.2807 12.2807 12.4090 12.4090 12.4179 12.4179 13.5499 13.5499 k = 0.1983 0.3219 0.5386 ( 4284 PWs) bands (ev): -13.0264 -13.0264 -13.0262 -13.0262 -9.8080 -9.8080 -9.8067 -9.8067 -9.6397 -9.6397 -9.6379 -9.6379 -2.8686 -2.8686 -2.8683 -2.8683 -0.7501 -0.7501 -0.7458 -0.7458 0.1602 0.1602 0.1615 0.1615 0.7512 0.7512 0.7617 0.7617 1.6913 1.6913 1.6985 1.6985 2.5037 2.5037 2.5090 2.5090 3.6491 3.6491 3.6528 3.6528 4.1420 4.1420 4.1421 4.1421 4.9629 4.9629 4.9638 4.9638 12.2598 12.2598 12.2601 12.2601 12.3553 12.3553 12.3637 12.3637 13.5762 13.5762 k = 0.1897 0.3079 0.5386 ( 4292 PWs) bands (ev): -13.0315 -13.0315 -13.0314 -13.0314 -9.8328 -9.8328 -9.8315 -9.8315 -9.5953 -9.5953 -9.5935 -9.5935 -2.9357 -2.9357 -2.9354 -2.9354 -0.6914 -0.6914 -0.6868 -0.6868 0.1284 0.1284 0.1295 0.1295 0.7476 0.7476 0.7583 0.7583 1.7033 1.7033 1.7102 1.7102 2.5252 2.5252 2.5307 2.5307 3.6507 3.6507 3.6546 3.6546 4.1363 4.1363 4.1364 4.1364 4.9948 4.9948 4.9955 4.9955 12.2414 12.2414 12.2416 12.2416 12.3007 12.3007 12.3087 12.3087 13.5916 13.5916 k = 0.1811 0.2939 0.5386 ( 4296 PWs) bands (ev): -13.0366 -13.0366 -13.0364 -13.0364 -9.8566 -9.8566 -9.8553 -9.8553 -9.5510 -9.5510 -9.5491 -9.5491 -3.0025 -3.0025 -3.0021 -3.0021 -0.6358 -0.6358 -0.6309 -0.6309 0.0969 0.0969 0.0979 0.0979 0.7448 0.7448 0.7556 0.7556 1.7161 1.7161 1.7225 1.7225 2.5477 2.5477 2.5533 2.5533 3.6528 3.6528 3.6571 3.6571 4.1317 4.1317 4.1317 4.1317 5.0257 5.0257 5.0262 5.0262 12.2251 12.2251 12.2253 12.2253 12.2462 12.2462 12.2533 12.2533 13.5950 13.5950 k = 0.1725 0.2799 0.5386 ( 4304 PWs) bands (ev): -13.0416 -13.0416 -13.0414 -13.0414 -9.8794 -9.8794 -9.8782 -9.8782 -9.5068 -9.5068 -9.5050 -9.5050 -3.0688 -3.0688 -3.0684 -3.0684 -0.5833 -0.5833 -0.5782 -0.5782 0.0659 0.0659 0.0667 0.0667 0.7430 0.7430 0.7539 0.7539 1.7293 1.7293 1.7354 1.7354 2.5707 2.5707 2.5764 2.5764 3.6558 3.6558 3.6603 3.6603 4.1278 4.1278 4.1279 4.1279 5.0554 5.0554 5.0558 5.0558 12.1893 12.1893 12.1973 12.1973 12.2122 12.2122 12.2135 12.2135 13.5863 13.5863 k = 0.1638 0.2659 0.5386 ( 4304 PWs) bands (ev): -13.0465 -13.0465 -13.0463 -13.0463 -9.9012 -9.9012 -9.9001 -9.9001 -9.4630 -9.4630 -9.4613 -9.4613 -3.1343 -3.1343 -3.1338 -3.1338 -0.5341 -0.5341 -0.5288 -0.5288 0.0355 0.0355 0.0362 0.0362 0.7421 0.7421 0.7530 0.7530 1.7428 1.7428 1.7486 1.7486 2.5940 2.5940 2.5998 2.5998 3.6597 3.6597 3.6644 3.6644 4.1248 4.1248 4.1248 4.1248 5.0840 5.0840 5.0842 5.0842 12.1351 12.1351 12.1424 12.1424 12.2012 12.2012 12.2022 12.2022 13.5664 13.5664 k = 0.1552 0.2519 0.5386 ( 4296 PWs) bands (ev): -13.0513 -13.0513 -13.0511 -13.0511 -9.9220 -9.9220 -9.9209 -9.9209 -9.4198 -9.4198 -9.4180 -9.4180 -3.1988 -3.1988 -3.1983 -3.1983 -0.4882 -0.4882 -0.4827 -0.4827 0.0059 0.0059 0.0065 0.0065 0.7422 0.7422 0.7531 0.7531 1.7566 1.7566 1.7620 1.7620 2.6173 2.6173 2.6231 2.6231 3.6647 3.6647 3.6697 3.6697 4.1224 4.1224 4.1225 4.1225 5.1113 5.1113 5.1114 5.1114 12.0812 12.0812 12.0881 12.0881 12.1931 12.1931 12.1940 12.1940 13.5371 13.5371 k = 0.1466 0.2379 0.5386 ( 4292 PWs) bands (ev): -13.0560 -13.0560 -13.0558 -13.0558 -9.9417 -9.9417 -9.9407 -9.9407 -9.3772 -9.3772 -9.3755 -9.3755 -3.2620 -3.2620 -3.2615 -3.2615 -0.4456 -0.4456 -0.4401 -0.4401 -0.0227 -0.0227 -0.0222 -0.0222 0.7433 0.7433 0.7541 0.7541 1.7705 1.7705 1.7755 1.7755 2.6401 2.6401 2.6459 2.6459 3.6710 3.6710 3.6761 3.6761 4.1207 4.1207 4.1208 4.1208 5.1372 5.1372 5.1372 5.1372 12.0284 12.0284 12.0349 12.0349 12.1875 12.1875 12.1885 12.1885 13.5007 13.5007 k = 0.1380 0.2239 0.5386 ( 4280 PWs) bands (ev): -13.0605 -13.0605 -13.0603 -13.0603 -9.9604 -9.9604 -9.9594 -9.9594 -9.3355 -9.3355 -9.3338 -9.3338 -3.3238 -3.3238 -3.3232 -3.3232 -0.4065 -0.4065 -0.4009 -0.4009 -0.0502 -0.0502 -0.0498 -0.0498 0.7453 0.7453 0.7560 0.7560 1.7843 1.7843 1.7890 1.7890 2.6621 2.6621 2.6680 2.6680 3.6786 3.6786 3.6839 3.6839 4.1195 4.1195 4.1196 4.1196 5.1615 5.1615 5.1617 5.1617 11.9770 11.9770 11.9831 11.9831 12.1845 12.1845 12.1855 12.1855 13.4593 13.4593 k = 0.1294 0.2099 0.5386 ( 4284 PWs) bands (ev): -13.0649 -13.0649 -13.0647 -13.0647 -9.9779 -9.9779 -9.9770 -9.9770 -9.2948 -9.2948 -9.2932 -9.2932 -3.3836 -3.3836 -3.3831 -3.3831 -0.3707 -0.3707 -0.3651 -0.3651 -0.0766 -0.0766 -0.0763 -0.0763 0.7483 0.7483 0.7587 0.7587 1.7980 1.7980 1.8024 1.8024 2.6831 2.6831 2.6889 2.6889 3.6876 3.6876 3.6929 3.6929 4.1188 4.1188 4.1190 4.1190 5.1844 5.1844 5.1847 5.1847 11.9273 11.9273 11.9331 11.9331 12.1839 12.1839 12.1849 12.1849 13.4151 13.4151 k = 0.1207 0.1959 0.5386 ( 4280 PWs) bands (ev): -13.0690 -13.0690 -13.0689 -13.0689 -9.9944 -9.9944 -9.9935 -9.9935 -9.2554 -9.2554 -9.2539 -9.2539 -3.4415 -3.4415 -3.4408 -3.4408 -0.3382 -0.3382 -0.3326 -0.3326 -0.1017 -0.1017 -0.1014 -0.1014 0.7522 0.7522 0.7623 0.7623 1.8114 1.8114 1.8154 1.8154 2.7027 2.7027 2.7084 2.7084 3.6979 3.6979 3.7033 3.7033 4.1185 4.1185 4.1187 4.1187 5.2058 5.2058 5.2062 5.2062 11.8797 11.8797 11.8850 11.8850 12.1854 12.1854 12.1864 12.1864 13.3699 13.3699 k = 0.1121 0.1819 0.5386 ( 4288 PWs) bands (ev): -13.0730 -13.0730 -13.0729 -13.0729 -10.0098 -10.0098 -10.0089 -10.0089 -9.2175 -9.2175 -9.2160 -9.2160 -3.4969 -3.4969 -3.4963 -3.4963 -0.3089 -0.3089 -0.3034 -0.3034 -0.1253 -0.1253 -0.1251 -0.1251 0.7569 0.7569 0.7666 0.7666 1.8244 1.8244 1.8281 1.8281 2.7208 2.7208 2.7264 2.7264 3.7096 3.7096 3.7149 3.7149 4.1185 4.1185 4.1187 4.1187 5.2257 5.2257 5.2261 5.2261 11.8342 11.8342 11.8392 11.8392 12.1888 12.1888 12.1898 12.1898 13.3250 13.3250 k = 0.1035 0.1679 0.5386 ( 4296 PWs) bands (ev): -13.0768 -13.0768 -13.0766 -13.0766 -10.0240 -10.0240 -10.0232 -10.0232 -9.1812 -9.1812 -9.1798 -9.1798 -3.5497 -3.5497 -3.5491 -3.5491 -0.2827 -0.2827 -0.2774 -0.2774 -0.1475 -0.1475 -0.1474 -0.1474 0.7622 0.7622 0.7714 0.7714 1.8369 1.8369 1.8403 1.8403 2.7373 2.7373 2.7426 2.7426 3.7224 3.7224 3.7276 3.7276 4.1188 4.1188 4.1190 4.1190 5.2439 5.2439 5.2445 5.2445 11.7913 11.7913 11.7959 11.7959 12.1938 12.1938 12.1948 12.1948 13.2818 13.2818 k = 0.0949 0.1539 0.5386 ( 4288 PWs) bands (ev): -13.0803 -13.0803 -13.0801 -13.0801 -10.0371 -10.0371 -10.0364 -10.0364 -9.1468 -9.1468 -9.1455 -9.1455 -3.5995 -3.5995 -3.5989 -3.5989 -0.2594 -0.2594 -0.2543 -0.2543 -0.1681 -0.1681 -0.1681 -0.1681 0.7680 0.7680 0.7767 0.7767 1.8488 1.8488 1.8520 1.8520 2.7519 2.7519 2.7570 2.7570 3.7361 3.7361 3.7412 3.7412 4.1193 4.1193 4.1195 4.1195 5.2606 5.2606 5.2612 5.2612 11.7510 11.7510 11.7552 11.7552 12.2000 12.2000 12.2010 12.2010 13.2411 13.2411 k = 0.0862 0.1399 0.5386 ( 4284 PWs) bands (ev): -13.0835 -13.0835 -13.0834 -13.0834 -10.0491 -10.0491 -10.0484 -10.0484 -9.1145 -9.1145 -9.1133 -9.1133 -3.6462 -3.6462 -3.6456 -3.6456 -0.2390 -0.2390 -0.2341 -0.2341 -0.1871 -0.1871 -0.1871 -0.1871 0.7741 0.7741 0.7822 0.7822 1.8601 1.8601 1.8629 1.8629 2.7648 2.7648 2.7695 2.7695 3.7505 3.7505 3.7553 3.7553 4.1200 4.1200 4.1202 4.1202 5.2758 5.2758 5.2764 5.2764 11.7136 11.7136 11.7174 11.7174 12.2071 12.2071 12.2080 12.2080 13.2038 13.2038 k = 0.0776 0.1259 0.5386 ( 4282 PWs) bands (ev): -13.0865 -13.0865 -13.0864 -13.0864 -10.0599 -10.0599 -10.0593 -10.0593 -9.0845 -9.0845 -9.0833 -9.0833 -3.6894 -3.6894 -3.6888 -3.6888 -0.2216 -0.2216 -0.2168 -0.2168 -0.2043 -0.2043 -0.2039 -0.2039 0.7804 0.7804 0.7879 0.7879 1.8705 1.8705 1.8730 1.8730 2.7759 2.7759 2.7803 2.7803 3.7652 3.7652 3.7697 3.7697 4.1208 4.1208 4.1210 4.1210 5.2893 5.2893 5.2899 5.2899 11.6793 11.6793 11.6827 11.6827 12.2145 12.2145 12.2154 12.2154 13.1703 13.1703 k = 0.0690 0.1119 0.5386 ( 4282 PWs) bands (ev): -13.0893 -13.0893 -13.0892 -13.0892 -10.0696 -10.0696 -10.0691 -10.0691 -9.0570 -9.0570 -9.0559 -9.0559 -3.7288 -3.7288 -3.7283 -3.7283 -0.2213 -0.2213 -0.2206 -0.2206 -0.2044 -0.2044 -0.2010 -0.2010 0.7868 0.7868 0.7935 0.7935 1.8801 1.8801 1.8823 1.8823 2.7853 2.7853 2.7893 2.7893 3.7798 3.7798 3.7840 3.7840 4.1216 4.1216 4.1218 4.1218 5.3013 5.3013 5.3019 5.3019 11.6482 11.6482 11.6512 11.6512 12.2220 12.2220 12.2228 12.2228 13.1412 13.1412 k = 0.0604 0.0980 0.5386 ( 4266 PWs) bands (ev): -13.0917 -13.0917 -13.0916 -13.0916 -10.0782 -10.0782 -10.0777 -10.0777 -9.0321 -9.0321 -9.0312 -9.0312 -3.7643 -3.7643 -3.7638 -3.7638 -0.2346 -0.2346 -0.2344 -0.2344 -0.1917 -0.1917 -0.1884 -0.1884 0.7929 0.7929 0.7989 0.7989 1.8887 1.8887 1.8907 1.8907 2.7932 2.7932 2.7968 2.7968 3.7940 3.7940 3.7978 3.7978 4.1224 4.1224 4.1226 4.1226 5.3118 5.3118 5.3124 5.3124 11.6204 11.6204 11.6231 11.6231 12.2290 12.2290 12.2298 12.2298 13.1164 13.1164 k = 0.0517 0.0840 0.5386 ( 4266 PWs) bands (ev): -13.0938 -13.0938 -13.0937 -13.0937 -10.0856 -10.0856 -10.0852 -10.0852 -9.0102 -9.0102 -9.0094 -9.0094 -3.7955 -3.7955 -3.7951 -3.7951 -0.2467 -0.2467 -0.2465 -0.2465 -0.1807 -0.1807 -0.1777 -0.1777 0.7987 0.7987 0.8039 0.8039 1.8964 1.8964 1.8981 1.8981 2.7996 2.7996 2.8028 2.8028 3.8073 3.8073 3.8106 3.8106 4.1232 4.1232 4.1234 4.1234 5.3208 5.3208 5.3214 5.3214 11.5961 11.5961 11.5984 11.5984 12.2355 12.2355 12.2361 12.2361 13.0961 13.0961 k = 0.0431 0.0700 0.5386 ( 4270 PWs) bands (ev): -13.0956 -13.0956 -13.0956 -13.0956 -10.0919 -10.0919 -10.0916 -10.0916 -8.9913 -8.9913 -8.9906 -8.9906 -3.8223 -3.8223 -3.8220 -3.8220 -0.2569 -0.2569 -0.2568 -0.2568 -0.1715 -0.1715 -0.1690 -0.1690 0.8039 0.8039 0.8083 0.8083 1.9030 1.9030 1.9044 1.9044 2.8048 2.8048 2.8075 2.8075 3.8193 3.8193 3.8222 3.8222 4.1240 4.1240 4.1241 4.1241 5.3284 5.3284 5.3289 5.3289 11.5754 11.5754 11.5773 11.5773 12.2410 12.2410 12.2416 12.2416 13.0800 13.0800 k = 0.0345 0.0560 0.5386 ( 4270 PWs) bands (ev): -13.0971 -13.0971 -13.0971 -13.0971 -10.0970 -10.0970 -10.0968 -10.0968 -8.9756 -8.9756 -8.9750 -8.9750 -3.8445 -3.8445 -3.8442 -3.8442 -0.2654 -0.2654 -0.2653 -0.2653 -0.1642 -0.1642 -0.1621 -0.1621 0.8085 0.8085 0.8121 0.8121 1.9085 1.9085 1.9096 1.9096 2.8089 2.8089 2.8110 2.8110 3.8298 3.8298 3.8321 3.8321 4.1246 4.1246 4.1247 4.1247 5.3345 5.3345 5.3349 5.3349 11.5583 11.5583 11.5599 11.5599 12.2456 12.2456 12.2460 12.2460 13.0678 13.0678 k = 0.0259 0.0420 0.5386 ( 4266 PWs) bands (ev): -13.0983 -13.0983 -13.0983 -13.0983 -10.1010 -10.1010 -10.1008 -10.1008 -8.9632 -8.9632 -8.9628 -8.9628 -3.8619 -3.8619 -3.8617 -3.8617 -0.2720 -0.2720 -0.2719 -0.2719 -0.1585 -0.1585 -0.1569 -0.1569 0.8124 0.8124 0.8150 0.8150 1.9128 1.9128 1.9136 1.9136 2.8120 2.8120 2.8136 2.8136 3.8384 3.8384 3.8401 3.8401 4.1252 4.1252 4.1253 4.1253 5.3393 5.3393 5.3396 5.3396 11.5451 11.5451 11.5462 11.5462 12.2491 12.2491 12.2494 12.2494 13.0590 13.0590 k = 0.0172 0.0280 0.5386 ( 4246 PWs) bands (ev): -13.0991 -13.0991 -13.0991 -13.0991 -10.1038 -10.1038 -10.1037 -10.1037 -8.9543 -8.9543 -8.9540 -8.9540 -3.8745 -3.8745 -3.8743 -3.8743 -0.2767 -0.2767 -0.2767 -0.2767 -0.1544 -0.1544 -0.1534 -0.1534 0.8153 0.8153 0.8171 0.8171 1.9160 1.9160 1.9165 1.9165 2.8142 2.8142 2.8153 2.8153 3.8447 3.8447 3.8459 3.8459 4.1256 4.1256 4.1256 4.1256 5.3426 5.3426 5.3429 5.3429 11.5356 11.5356 11.5364 11.5364 12.2516 12.2516 12.2518 12.2518 13.0532 13.0532 k = 0.0086 0.0140 0.5386 ( 4252 PWs) bands (ev): -13.0996 -13.0996 -13.0996 -13.0996 -10.1055 -10.1055 -10.1055 -10.1055 -8.9488 -8.9488 -8.9487 -8.9487 -3.8820 -3.8820 -3.8819 -3.8819 -0.2795 -0.2795 -0.2795 -0.2795 -0.1519 -0.1519 -0.1514 -0.1514 0.8173 0.8173 0.8182 0.8182 1.9179 1.9179 1.9182 1.9182 2.8156 2.8156 2.8161 2.8161 3.8488 3.8488 3.8494 3.8494 4.1258 4.1258 4.1259 4.1259 5.3447 5.3447 5.3448 5.3448 11.5300 11.5300 11.5303 11.5303 12.2530 12.2530 12.2531 12.2531 13.0499 13.0500 k = 0.0000 0.0000 0.5386 ( 4248 PWs) bands (ev): -13.0998 -13.0998 -13.0998 -13.0998 -10.1061 -10.1061 -10.1061 -10.1061 -8.9470 -8.9470 -8.9470 -8.9470 -3.8845 -3.8845 -3.8845 -3.8845 -0.2805 -0.2805 -0.2805 -0.2805 -0.1509 -0.1509 -0.1509 -0.1509 0.8182 0.8182 0.8182 0.8182 1.9187 1.9187 1.9187 1.9187 2.8162 2.8162 2.8162 2.8162 3.8503 3.8503 3.8503 3.8503 4.1259 4.1259 4.1259 4.1259 5.3454 5.3454 5.3454 5.3454 11.5282 11.5282 11.5282 11.5282 12.2535 12.2535 12.2535 12.2535 13.0489 13.0489 k = 0.0000 0.0000 0.5386 ( 4248 PWs) bands (ev): -13.0998 -13.0998 -13.0998 -13.0998 -10.1061 -10.1061 -10.1061 -10.1061 -8.9470 -8.9470 -8.9470 -8.9470 -3.8845 -3.8845 -3.8845 -3.8845 -0.2805 -0.2805 -0.2805 -0.2805 -0.1509 -0.1509 -0.1509 -0.1509 0.8182 0.8182 0.8182 0.8182 1.9187 1.9187 1.9187 1.9187 2.8162 2.8162 2.8162 2.8162 3.8503 3.8503 3.8503 3.8503 4.1259 4.1259 4.1259 4.1259 5.3454 5.3454 5.3454 5.3454 11.5282 11.5282 11.5282 11.5282 12.2535 12.2535 12.2535 12.2535 13.0489 13.0489 k = 0.0000 0.0000 0.5222 ( 4254 PWs) bands (ev): -13.1156 -13.1156 -13.0842 -13.0842 -10.1456 -10.1456 -10.0654 -10.0654 -8.9521 -8.9521 -8.9424 -8.9424 -3.8833 -3.8833 -3.8829 -3.8829 -0.3069 -0.3069 -0.2591 -0.2591 -0.2519 -0.2519 -0.0526 -0.0526 0.8166 0.8166 0.8280 0.8280 1.8921 1.8921 1.9402 1.9402 2.8161 2.8161 2.8181 2.8181 3.8407 3.8407 3.8596 3.8596 4.1034 4.1034 4.1476 4.1476 5.3262 5.3262 5.3632 5.3632 11.5275 11.5275 11.5388 11.5388 12.2425 12.2425 12.2637 12.2637 13.0091 13.0091 k = 0.0000 0.0000 0.5059 ( 4254 PWs) bands (ev): -13.1316 -13.1316 -13.0688 -13.0688 -10.1839 -10.1839 -10.0236 -10.0236 -8.9577 -8.9577 -8.9384 -8.9384 -3.8793 -3.8793 -3.8783 -3.8783 -0.3696 -0.3696 -0.3330 -0.3330 -0.2268 -0.2268 0.0347 0.0347 0.8258 0.8258 0.8439 0.8439 1.8608 1.8608 1.9568 1.9568 2.8176 2.8176 2.8219 2.8219 3.8309 3.8309 3.8686 3.8686 4.0803 4.0803 4.1684 4.1684 5.3056 5.3056 5.3795 5.3795 11.5366 11.5366 11.5590 11.5590 12.2314 12.2314 12.2718 12.2718 12.9683 12.9683 k = 0.0000 0.0000 0.4896 ( 4244 PWs) bands (ev): -13.1476 -13.1476 -13.0536 -13.0536 -10.2210 -10.2210 -9.9808 -9.9808 -8.9638 -8.9638 -8.9349 -8.9349 -3.8726 -3.8726 -3.8710 -3.8710 -0.4856 -0.4856 -0.3587 -0.3587 -0.2000 -0.2000 0.1078 0.1078 0.8484 0.8484 0.8645 0.8645 1.8250 1.8250 1.9680 1.9680 2.8206 2.8206 2.8278 2.8278 3.8209 3.8209 3.8773 3.8773 4.0567 4.0567 4.1883 4.1883 5.2836 5.2836 5.3943 5.3943 11.5555 11.5555 11.5889 11.5889 12.2209 12.2209 12.2759 12.2759 12.9291 12.9291 k = 0.0000 0.0000 0.4733 ( 4260 PWs) bands (ev): -13.1637 -13.1637 -13.0387 -13.0387 -10.2568 -10.2568 -9.9369 -9.9369 -8.9704 -8.9704 -8.9320 -8.9320 -3.8632 -3.8632 -3.8607 -3.8607 -0.6042 -0.6042 -0.3839 -0.3839 -0.1733 -0.1733 0.1643 0.1643 0.8847 0.8847 0.8907 0.8907 1.7848 1.7848 1.9740 1.9740 2.8249 2.8249 2.8360 2.8360 3.8107 3.8107 3.8857 3.8857 4.0327 4.0327 4.2072 4.2072 5.2604 5.2604 5.4076 5.4076 11.5841 11.5841 11.6282 11.6282 12.2114 12.2114 12.2741 12.2741 12.8945 12.8945 k = 0.0000 0.0000 0.4570 ( 4264 PWs) bands (ev): -13.1799 -13.1799 -13.0242 -13.0242 -10.2914 -10.2914 -9.8921 -9.8921 -8.9774 -8.9774 -8.9296 -8.9296 -3.8513 -3.8513 -3.8476 -3.8476 -0.7244 -0.7244 -0.4084 -0.4084 -0.1467 -0.1467 0.2037 0.2037 0.9141 0.9141 0.9423 0.9423 1.7405 1.7405 1.9746 1.9746 2.8304 2.8304 2.8467 2.8467 3.8003 3.8003 3.8936 3.8936 4.0087 4.0087 4.2252 4.2252 5.2360 5.2360 5.4195 5.4195 11.6221 11.6221 11.6765 11.6765 12.2030 12.2030 12.2638 12.2638 12.8676 12.8676 k = 0.0000 0.0000 0.4406 ( 4258 PWs) bands (ev): -13.1960 -13.1960 -13.0099 -13.0099 -10.3246 -10.3246 -9.8465 -9.8465 -8.9848 -8.9848 -8.9278 -8.9278 -3.8368 -3.8368 -3.8317 -3.8317 -0.8454 -0.8454 -0.4323 -0.4323 -0.1204 -0.1204 0.2276 0.2276 0.9429 0.9429 1.0104 1.0104 1.6923 1.6923 1.9698 1.9698 2.8368 2.8368 2.8601 2.8601 3.7898 3.7898 3.9011 3.9011 3.9849 3.9849 4.2423 4.2423 5.2106 5.2106 5.4298 5.4298 11.6693 11.6693 11.7335 11.7335 12.1960 12.1960 12.2431 12.2431 12.8511 12.8511 k = 0.0000 0.0000 0.4243 ( 4262 PWs) bands (ev): -13.2120 -13.2120 -12.9961 -12.9961 -10.3566 -10.3566 -9.8002 -9.8002 -8.9925 -8.9925 -8.9266 -8.9266 -3.8200 -3.8200 -3.8131 -3.8131 -0.9665 -0.9665 -0.4554 -0.4554 -0.0944 -0.0944 0.2391 0.2391 0.9733 0.9733 1.0890 1.0890 1.6406 1.6406 1.9596 1.9596 2.8441 2.8441 2.8764 2.8764 3.7793 3.7793 3.9081 3.9081 3.9617 3.9617 4.2586 4.2586 5.1843 5.1843 5.4388 5.4388 11.7255 11.7255 11.7989 11.7989 12.1904 12.1904 12.2110 12.2110 12.8466 12.8466 k = 0.0000 0.0000 0.4080 ( 4258 PWs) bands (ev): -13.2279 -13.2279 -12.9826 -12.9826 -10.3872 -10.3872 -9.7531 -9.7531 -9.0006 -9.0006 -8.9258 -8.9258 -3.8010 -3.8010 -3.7918 -3.7918 -1.0872 -1.0872 -0.4776 -0.4776 -0.0691 -0.0691 0.2415 0.2415 1.0051 1.0051 1.1743 1.1743 1.5856 1.5856 1.9442 1.9442 2.8521 2.8521 2.8957 2.8957 3.7687 3.7687 3.9140 3.9140 3.9397 3.9397 4.2741 4.2741 5.1571 5.1571 5.4464 5.4464 11.7903 11.7903 11.8720 11.8720 12.1680 12.1680 12.1862 12.1862 12.8538 12.8538 k = 0.0000 0.0000 0.3917 ( 4264 PWs) bands (ev): -13.2437 -13.2437 -12.9696 -12.9696 -10.4166 -10.4166 -9.7056 -9.7056 -9.0089 -9.0089 -8.9255 -8.9255 -3.7800 -3.7800 -3.7680 -3.7680 -1.2071 -1.2071 -0.4989 -0.4989 -0.0443 -0.0443 0.2374 0.2374 1.0379 1.0379 1.2630 1.2630 1.5277 1.5277 1.9235 1.9235 2.8605 2.8605 2.9183 2.9183 3.7581 3.7581 3.9120 3.9120 3.9261 3.9261 4.2890 4.2890 5.1293 5.1293 5.4527 5.4527 11.8632 11.8632 11.9523 11.9523 12.1158 12.1158 12.1833 12.1833 12.8717 12.8717 k = 0.0000 0.0000 0.3754 ( 4260 PWs) bands (ev): -13.2592 -13.2592 -12.9570 -12.9570 -10.4446 -10.4446 -9.6576 -9.6576 -9.0173 -9.0173 -8.9257 -8.9257 -3.7570 -3.7570 -3.7417 -3.7417 -1.3257 -1.3257 -0.5192 -0.5192 -0.0203 -0.0203 0.2291 0.2291 1.0715 1.0715 1.3526 1.3526 1.4674 1.4674 1.8979 1.8979 2.8694 2.8694 2.9444 2.9444 3.7475 3.7475 3.8938 3.8938 3.9294 3.9294 4.3032 4.3032 5.1009 5.1009 5.4578 5.4578 11.9438 11.9438 12.0390 12.0390 12.0565 12.0565 12.1816 12.1816 12.8983 12.8983 k = 0.0000 0.0000 0.3590 ( 4264 PWs) bands (ev): -13.2745 -13.2745 -12.9449 -12.9449 -10.4713 -10.4713 -9.6093 -9.6093 -9.0260 -9.0260 -8.9263 -8.9263 -3.7323 -3.7323 -3.7131 -3.7131 -1.4426 -1.4426 -0.5384 -0.5384 0.0028 0.0028 0.2178 0.2178 1.1059 1.1059 1.4047 1.4047 1.4413 1.4413 1.8676 1.8676 2.8783 2.8783 2.9741 2.9741 3.7370 3.7370 3.8744 3.8744 3.9347 3.9347 4.3170 4.3170 5.0722 5.0722 5.4618 5.4618 11.9917 11.9917 12.0319 12.0319 12.1314 12.1314 12.1810 12.1810 12.9321 12.9321 k = 0.0000 0.0000 0.3427 ( 4266 PWs) bands (ev): -13.2894 -13.2894 -12.9332 -12.9332 -10.4967 -10.4967 -9.5608 -9.5608 -9.0347 -9.0347 -8.9273 -8.9273 -3.7061 -3.7061 -3.6823 -3.6823 -1.5576 -1.5576 -0.5564 -0.5564 0.0249 0.0249 0.2046 0.2046 1.1408 1.1408 1.3405 1.3405 1.5274 1.5274 1.8329 1.8329 2.8874 2.8874 3.0076 3.0076 3.7266 3.7266 3.8561 3.8561 3.9398 3.9398 4.3303 4.3303 5.0432 5.0432 5.4647 5.4647 11.9234 11.9234 12.1265 12.1265 12.1813 12.1813 12.2283 12.2283 12.9715 12.9715 k = 0.0000 0.0000 0.3264 ( 4270 PWs) bands (ev): -13.3040 -13.3040 -12.9221 -12.9221 -10.5208 -10.5208 -9.5124 -9.5124 -9.0435 -9.0435 -8.9286 -8.9286 -3.6786 -3.6786 -3.6496 -3.6496 -1.6702 -1.6702 -0.5731 -0.5731 0.0458 0.0458 0.1904 0.1904 1.1759 1.1759 1.2751 1.2751 1.6100 1.6100 1.7942 1.7942 2.8962 2.8962 3.0449 3.0449 3.7163 3.7163 3.8390 3.8390 3.9447 3.9447 4.3433 4.3433 5.0142 5.0142 5.4668 5.4668 11.8527 11.8527 12.1825 12.1825 12.2276 12.2276 12.3275 12.3275 13.0154 13.0154 k = 0.0000 0.0000 0.3101 ( 4274 PWs) bands (ev): -13.3183 -13.3183 -12.9114 -12.9114 -10.5437 -10.5437 -9.4642 -9.4642 -9.0522 -9.0522 -8.9303 -8.9303 -3.6499 -3.6499 -3.6150 -3.6150 -1.7802 -1.7802 -0.5886 -0.5886 0.0652 0.0652 0.1755 0.1755 1.2073 1.2073 1.2129 1.2129 1.6881 1.6881 1.7518 1.7518 2.9048 2.9048 3.0858 3.0858 3.7062 3.7062 3.8234 3.8234 3.9493 3.9493 4.3559 4.3559 4.9853 4.9853 5.4680 5.4680 11.7807 11.7807 12.1843 12.1843 12.3343 12.3343 12.4265 12.4265 13.0623 13.0623 k = 0.0000 0.0000 0.2938 ( 4278 PWs) bands (ev): -13.3321 -13.3321 -12.9012 -12.9012 -10.5652 -10.5652 -9.4164 -9.4164 -9.0609 -9.0609 -8.9322 -8.9322 -3.6204 -3.6204 -3.5789 -3.5789 -1.8872 -1.8872 -0.6027 -0.6027 0.0831 0.0831 0.1604 0.1604 1.1423 1.1423 1.2470 1.2470 1.7062 1.7062 1.7614 1.7614 2.9128 2.9128 3.1303 3.1303 3.6964 3.6964 3.8091 3.8091 3.9537 3.9537 4.3682 4.3682 4.9567 4.9567 5.4686 5.4686 11.7082 11.7082 12.1866 12.1866 12.4462 12.4462 12.5196 12.5196 13.0683 13.0683 k = 0.0000 0.0000 0.2774 ( 4278 PWs) bands (ev): -13.3454 -13.3454 -12.8916 -12.8916 -10.5855 -10.5855 -9.3691 -9.3691 -9.0695 -9.0695 -8.9343 -8.9343 -3.5903 -3.5903 -3.5415 -3.5415 -1.9910 -1.9910 -0.6155 -0.6155 0.0992 0.0992 0.1454 0.1454 1.0763 1.0763 1.2823 1.2823 1.6581 1.6581 1.8292 1.8292 2.9203 2.9203 3.1779 3.1779 3.6867 3.6867 3.7962 3.7962 3.9578 3.9578 4.3803 4.3803 4.9286 4.9286 5.4687 5.4687 11.6358 11.6358 12.1891 12.1891 12.5625 12.5625 12.5963 12.5963 13.0522 13.0522 k = 0.0000 0.0000 0.2611 ( 4270 PWs) bands (ev): -13.3581 -13.3581 -12.8825 -12.8825 -10.6046 -10.6046 -9.3226 -9.3226 -9.0778 -9.0778 -8.9366 -8.9366 -3.5598 -3.5598 -3.5029 -3.5029 -2.0912 -2.0912 -0.6268 -0.6268 0.1130 0.1130 0.1307 0.1307 1.0114 1.0114 1.3175 1.3175 1.6080 1.6080 1.8915 1.8915 2.9270 2.9270 3.2283 3.2283 3.6774 3.6774 3.7847 3.7847 3.9618 3.9618 4.3922 4.3922 4.9011 4.9011 5.4683 5.4683 11.5642 11.5642 12.1918 12.1918 12.6387 12.6387 12.6836 12.6836 13.0371 13.0371 k = 0.0000 0.0000 0.2448 ( 4270 PWs) bands (ev): -13.3704 -13.3704 -12.8739 -12.8739 -10.6224 -10.6224 -9.2771 -9.2771 -9.0860 -9.0860 -8.9390 -8.9390 -3.5292 -3.5292 -3.4636 -3.4636 -2.1875 -2.1875 -0.6367 -0.6367 0.1157 0.1157 0.1252 0.1252 0.9482 0.9482 1.3521 1.3521 1.5563 1.5563 1.9484 1.9484 2.9329 2.9329 3.2807 3.2807 3.6685 3.6685 3.7745 3.7745 3.9656 3.9656 4.4037 4.4037 4.8743 4.8743 5.4677 5.4677 11.4939 11.4939 12.1945 12.1945 12.6372 12.6372 12.8072 12.8072 13.0231 13.0231 k = 0.0000 0.0000 0.2285 ( 4272 PWs) bands (ev): -13.3820 -13.3820 -12.8659 -12.8659 -10.6390 -10.6390 -9.2329 -9.2329 -9.0938 -9.0938 -8.9416 -8.9416 -3.4987 -3.4987 -3.4239 -3.4239 -2.2796 -2.2796 -0.6452 -0.6452 0.1021 0.1021 0.1338 0.1338 0.8876 0.8876 1.3862 1.3862 1.5037 1.5037 1.9998 1.9998 2.9378 2.9378 3.3345 3.3345 3.6600 3.6600 3.7655 3.7655 3.9692 3.9692 4.4149 4.4149 4.8484 4.8484 5.4669 5.4669 11.4253 11.4253 12.1971 12.1971 12.6014 12.6014 12.9337 12.9337 13.0106 13.0106 k = 0.0000 0.0000 0.2122 ( 4274 PWs) bands (ev): -13.3930 -13.3930 -12.8584 -12.8584 -10.6543 -10.6543 -9.1901 -9.1901 -9.1014 -9.1014 -8.9441 -8.9441 -3.4687 -3.4687 -3.3841 -3.3841 -2.3672 -2.3672 -0.6523 -0.6523 0.0890 0.0890 0.1394 0.1394 0.8304 0.8304 1.4195 1.4195 1.4508 1.4508 2.0461 2.0461 2.9417 2.9417 3.3888 3.3888 3.6520 3.6520 3.7576 3.7576 3.9728 3.9728 4.4258 4.4258 4.8237 4.8237 5.4660 5.4660 11.3590 11.3590 12.1994 12.1994 12.5485 12.5485 12.9996 12.9996 13.0622 13.0622 k = 0.0000 0.0000 0.1958 ( 4282 PWs) bands (ev): -13.4033 -13.4033 -12.8514 -12.8514 -10.6685 -10.6685 -9.1491 -9.1491 -9.1085 -9.1085 -8.9467 -8.9467 -3.4394 -3.4394 -3.3445 -3.3445 -2.4499 -2.4499 -0.6580 -0.6580 0.0765 0.0765 0.1416 0.1416 0.7775 0.7775 1.3982 1.3982 1.4518 1.4518 2.0875 2.0875 2.9446 2.9446 3.4426 3.4426 3.6448 3.6448 3.7507 3.7507 3.9764 3.9764 4.4363 4.4363 4.8001 4.8001 5.4652 5.4652 11.2953 11.2953 12.2014 12.2014 12.4894 12.4894 12.9901 12.9901 13.1918 13.1918 k = 0.0000 0.0000 0.1795 ( 4286 PWs) bands (ev): -13.4129 -13.4129 -12.8451 -12.8451 -10.6815 -10.6815 -9.1157 -9.1157 -9.1096 -9.1096 -8.9492 -8.9492 -3.4111 -3.4111 -3.3056 -3.3056 -2.5275 -2.5275 -0.6624 -0.6624 0.0649 0.0649 0.1399 0.1399 0.7296 0.7296 1.3466 1.3466 1.4829 1.4829 2.1244 2.1244 2.9465 2.9465 3.4948 3.4948 3.6386 3.6386 3.7448 3.7448 3.9798 3.9798 4.4464 4.4464 4.7778 4.7778 5.4645 5.4645 11.2347 11.2347 12.2031 12.2031 12.4294 12.4294 12.9821 12.9821 13.3218 13.3218 k = 0.0000 0.0000 0.1632 ( 4290 PWs) bands (ev): -13.4217 -13.4217 -12.8392 -12.8392 -10.6933 -10.6933 -9.1217 -9.1217 -9.0731 -9.0731 -8.9516 -8.9516 -3.3841 -3.3841 -3.2678 -3.2678 -2.5996 -2.5996 -0.6656 -0.6656 0.0541 0.0541 0.1341 0.1341 0.6876 0.6876 1.2966 1.2966 1.5124 1.5124 2.1571 2.1571 2.9475 2.9475 3.5434 3.5434 3.6345 3.6345 3.7398 3.7398 3.9832 3.9832 4.4559 4.4559 4.7570 4.7570 5.4640 5.4640 11.1776 11.1776 12.2044 12.2044 12.3714 12.3714 12.9755 12.9755 13.4512 13.4512 k = 0.0000 0.0000 0.1469 ( 4294 PWs) bands (ev): -13.4299 -13.4299 -12.8339 -12.8339 -10.7039 -10.7039 -9.1275 -9.1275 -9.0389 -9.0389 -8.9539 -8.9539 -3.3587 -3.3587 -3.2316 -3.2316 -2.6660 -2.6660 -0.6677 -0.6677 0.0442 0.0442 0.1243 0.1243 0.6519 0.6519 1.2489 1.2489 1.5404 1.5404 2.1858 2.1858 2.9476 2.9476 3.5831 3.5831 3.6372 3.6372 3.7355 3.7355 3.9866 3.9866 4.4648 4.4648 4.7378 4.7378 5.4637 5.4637 11.1244 11.1244 12.2054 12.2054 12.3168 12.3168 12.9703 12.9703 13.5704 13.5704 k = 0.0000 0.0000 0.1306 ( 4306 PWs) bands (ev): -13.4372 -13.4372 -12.8292 -12.8292 -10.7134 -10.7134 -9.1328 -9.1328 -9.0074 -9.0074 -8.9561 -8.9561 -3.3351 -3.3351 -3.1973 -3.1973 -2.7264 -2.7264 -0.6688 -0.6688 0.0353 0.0353 0.1109 0.1109 0.6225 0.6225 1.2040 1.2040 1.5663 1.5663 2.2109 2.2109 2.9469 2.9469 3.6005 3.6005 3.6593 3.6593 3.7321 3.7321 3.9898 3.9898 4.4730 4.4730 4.7203 4.7203 5.4637 5.4637 11.0755 11.0755 12.2060 12.2060 12.2666 12.2666 12.9662 12.9662 13.6106 13.6106 k = 0.0000 0.0000 0.1142 ( 4292 PWs) bands (ev): -13.4437 -13.4437 -12.8250 -12.8250 -10.7218 -10.7218 -9.1375 -9.1375 -8.9789 -8.9789 -8.9580 -8.9580 -3.3136 -3.3136 -3.1656 -3.1656 -2.7804 -2.7804 -0.6691 -0.6691 0.0274 0.0274 0.0949 0.0949 0.5992 0.5992 1.1626 1.1626 1.5900 1.5900 2.2326 2.2326 2.9456 2.9456 3.6018 3.6018 3.6936 3.6936 3.7298 3.7298 3.9929 3.9929 4.4805 4.4805 4.7045 4.7045 5.4638 5.4638 11.0313 11.0313 12.2064 12.2064 12.2213 12.2213 12.9631 12.9631 13.6457 13.6457 k = 0.0000 0.0000 0.0979 ( 4288 PWs) bands (ev): -13.4494 -13.4494 -12.8214 -12.8214 -10.7290 -10.7290 -9.1417 -9.1417 -8.9603 -8.9603 -8.9532 -8.9532 -3.2945 -3.2945 -3.1369 -3.1369 -2.8278 -2.8278 -0.6688 -0.6688 0.0204 0.0204 0.0774 0.0774 0.5812 0.5812 1.1252 1.1252 1.6113 1.6113 2.2510 2.2510 2.9439 2.9439 3.5994 3.5994 3.7201 3.7201 3.7357 3.7357 3.9958 3.9958 4.4872 4.4872 4.6907 4.6907 5.4642 5.4642 10.9921 10.9921 12.1813 12.1813 12.2066 12.2066 12.9609 12.9609 13.6760 13.6760 k = 0.0000 0.0000 0.0816 ( 4284 PWs) bands (ev): -13.4543 -13.4543 -12.8184 -12.8184 -10.7351 -10.7351 -9.1453 -9.1453 -8.9615 -8.9615 -8.9317 -8.9317 -3.2779 -3.2779 -3.1116 -3.1116 -2.8683 -2.8683 -0.6680 -0.6680 0.0145 0.0145 0.0598 0.0598 0.5678 0.5678 1.0925 1.0925 1.6298 1.6298 2.2663 2.2663 2.9421 2.9421 3.5964 3.5964 3.7222 3.7222 3.7628 3.7628 3.9985 3.9985 4.4929 4.4929 4.6788 4.6788 5.4646 5.4646 10.9583 10.9583 12.1471 12.1471 12.2066 12.2066 12.9593 12.9593 13.7014 13.7014 k = 0.0000 0.0000 0.0653 ( 4278 PWs) bands (ev): -13.4582 -13.4582 -12.8158 -12.8158 -10.7401 -10.7401 -9.1482 -9.1482 -8.9628 -8.9628 -8.9136 -8.9136 -3.2640 -3.2640 -3.0903 -3.0903 -2.9018 -2.9018 -0.6671 -0.6671 0.0097 0.0097 0.0433 0.0433 0.5582 0.5582 1.0650 1.0650 1.6453 1.6453 2.2788 2.2788 2.9402 2.9402 3.5937 3.5937 3.7211 3.7211 3.7885 3.7885 4.0008 4.0008 4.4977 4.4977 4.6689 4.6689 5.4652 5.4652 10.9303 10.9303 12.1188 12.1188 12.2065 12.2065 12.9583 12.9583 13.7218 13.7218 k = 0.0000 0.0000 0.0490 ( 4281 PWs) bands (ev): -13.4614 -13.4614 -12.8139 -12.8139 -10.7440 -10.7440 -9.1505 -9.1505 -8.9638 -8.9638 -8.8994 -8.8994 -3.2530 -3.2530 -3.0732 -3.0732 -2.9281 -2.9281 -0.6661 -0.6661 0.0059 0.0059 0.0292 0.0292 0.5515 0.5515 1.0430 1.0430 1.6577 1.6577 2.2883 2.2883 2.9385 2.9385 3.5914 3.5914 3.7201 3.7201 3.8091 3.8091 4.0026 4.0026 4.5015 4.5015 4.6612 4.6612 5.4657 5.4657 10.9081 10.9081 12.0966 12.0966 12.2063 12.2063 12.9577 12.9577 13.7374 13.7374 k = 0.0000 0.0000 0.0326 ( 4285 PWs) bands (ev): -13.4636 -13.4636 -12.8125 -12.8125 -10.7467 -10.7467 -9.1522 -9.1522 -8.9645 -8.9645 -8.8891 -8.8891 -3.2451 -3.2451 -3.0607 -3.0607 -2.9469 -2.9469 -0.6653 -0.6653 0.0031 0.0031 0.0184 0.0184 0.5471 0.5471 1.0271 1.0271 1.6666 1.6666 2.2951 2.2951 2.9371 2.9371 3.5897 3.5897 3.7193 3.7193 3.8241 3.8241 4.0040 4.0040 4.5043 4.5043 4.6556 4.6556 5.4661 5.4661 10.8922 10.8922 12.0807 12.0807 12.2062 12.2062 12.9573 12.9573 13.7483 13.7483 k = 0.0000 0.0000 0.0163 ( 4281 PWs) bands (ev): -13.4649 -13.4649 -12.8117 -12.8117 -10.7484 -10.7484 -9.1532 -9.1532 -8.9650 -8.9650 -8.8829 -8.8829 -3.2403 -3.2403 -3.0532 -3.0532 -2.9583 -2.9583 -0.6647 -0.6647 0.0015 0.0015 0.0117 0.0117 0.5447 0.5447 1.0174 1.0174 1.6721 1.6721 2.2991 2.2991 2.9363 2.9363 3.5887 3.5887 3.7189 3.7189 3.8332 3.8332 4.0049 4.0049 4.5060 4.5060 4.6522 4.6522 5.4664 5.4664 10.8825 10.8825 12.0711 12.0711 12.2060 12.2060 12.9571 12.9571 13.7548 13.7548 k = 0.0000 0.0000 0.0000 ( 4271 PWs) bands (ev): -13.4654 -13.4654 -12.8114 -12.8114 -10.7489 -10.7489 -9.1535 -9.1535 -8.9651 -8.9651 -8.8808 -8.8808 -3.2387 -3.2387 -3.0506 -3.0506 -2.9621 -2.9621 -0.6645 -0.6645 0.0009 0.0009 0.0094 0.0094 0.5439 0.5439 1.0141 1.0141 1.6739 1.6739 2.3005 2.3005 2.9360 2.9360 3.5884 3.5884 3.7187 3.7187 3.8363 3.8363 4.0052 4.0052 4.5065 4.5065 4.6511 4.6511 5.4665 5.4665 10.8793 10.8793 12.0679 12.0679 12.2060 12.2060 12.9570 12.9570 13.7569 13.7569 k = 0.0000 0.0000 0.0000 ( 4271 PWs) bands (ev): -13.4654 -13.4654 -12.8114 -12.8114 -10.7489 -10.7489 -9.1535 -9.1535 -8.9651 -8.9651 -8.8808 -8.8808 -3.2387 -3.2387 -3.0506 -3.0506 -2.9621 -2.9621 -0.6645 -0.6645 0.0009 0.0009 0.0094 0.0094 0.5439 0.5439 1.0141 1.0141 1.6739 1.6739 2.3005 2.3005 2.9360 2.9360 3.5884 3.5884 3.7187 3.7187 3.8363 3.8363 4.0052 4.0052 4.5065 4.5065 4.6511 4.6511 5.4665 5.4665 10.8793 10.8793 12.0679 12.0679 12.2060 12.2060 12.9570 12.9570 13.7569 13.7569 k =-0.0139 0.0086 0.0000 ( 4275 PWs) bands (ev): -13.4648 -13.4648 -12.8114 -12.8114 -10.7505 -10.7505 -9.1533 -9.1532 -8.9658 -8.9653 -8.8807 -8.8800 -3.2365 -3.2362 -3.0623 -3.0620 -2.9498 -2.9491 -0.6653 -0.6650 0.0023 0.0024 0.0084 0.0084 0.5421 0.5424 1.0132 1.0133 1.6752 1.6752 2.3015 2.3016 2.9354 2.9354 3.5869 3.5875 3.7155 3.7166 3.8356 3.8362 4.0047 4.0047 4.5049 4.5053 4.6535 4.6537 5.4658 5.4658 10.8826 10.8827 12.0523 12.0538 12.2210 12.2215 12.9571 12.9572 13.7555 13.7560 k =-0.0278 0.0171 0.0000 ( 4281 PWs) bands (ev): -13.4630 -13.4630 -12.8115 -12.8115 -10.7552 -10.7551 -9.1527 -9.1526 -8.9671 -8.9662 -8.8797 -8.8784 -3.2295 -3.2291 -3.0868 -3.0865 -2.9222 -2.9212 -0.6673 -0.6667 0.0047 0.0049 0.0074 0.0075 0.5369 0.5375 1.0106 1.0108 1.6792 1.6792 2.3047 2.3049 2.9337 2.9338 3.5828 3.5840 3.7073 3.7093 3.8342 3.8353 4.0034 4.0034 4.5010 4.5017 4.6607 4.6611 5.4638 5.4638 10.8926 10.8927 12.0186 12.0210 12.2554 12.2558 12.9573 12.9576 13.7519 13.7529 k =-0.0417 0.0257 0.0000 ( 4287 PWs) bands (ev): -13.4599 -13.4599 -12.8117 -12.8115 -10.7630 -10.7629 -9.1518 -9.1515 -8.9691 -8.9677 -8.8779 -8.8760 -3.2179 -3.2172 -3.1148 -3.1146 -2.8888 -2.8875 -0.6704 -0.6696 -0.0000 0.0002 0.0144 0.0146 0.5285 0.5293 1.0062 1.0065 1.6858 1.6859 2.3099 2.3102 2.9308 2.9310 3.5756 3.5774 3.6947 3.6975 3.8322 3.8337 4.0011 4.0012 4.4955 4.4965 4.6718 4.6722 5.4605 5.4605 10.9091 10.9093 11.9789 11.9819 12.2969 12.2970 12.9577 12.9582 13.7462 13.7476 k =-0.0556 0.0342 0.0000 ( 4283 PWs) bands (ev): -13.4557 -13.4557 -12.8119 -12.8117 -10.7737 -10.7736 -9.1504 -9.1500 -8.9715 -8.9698 -8.8755 -8.8731 -3.2017 -3.2008 -3.1434 -3.1433 -2.8527 -2.8512 -0.6747 -0.6735 -0.0070 -0.0068 0.0247 0.0248 0.5169 0.5179 1.0002 1.0006 1.6951 1.6951 2.3172 2.3176 2.9270 2.9272 3.5644 3.5667 3.6788 3.6822 3.8295 3.8311 3.9978 3.9980 4.4895 4.4906 4.6857 4.6861 5.4559 5.4560 10.9321 10.9323 11.9379 11.9414 12.3403 12.3406 12.9583 12.9589 13.7386 13.7403 k =-0.0694 0.0428 0.0000 ( 4277 PWs) bands (ev): -13.4503 -13.4503 -12.8121 -12.8119 -10.7874 -10.7873 -9.1487 -9.1482 -8.9743 -8.9723 -8.8725 -8.8697 -3.1809 -3.1798 -3.1715 -3.1713 -2.8150 -2.8132 -0.6800 -0.6786 -0.0160 -0.0157 0.0378 0.0380 0.5021 0.5034 0.9925 0.9929 1.7068 1.7069 2.3264 2.3270 2.9221 2.9223 3.5478 3.5505 3.6614 3.6650 3.8261 3.8278 3.9935 3.9937 4.4838 4.4849 4.7015 4.7019 5.4501 5.4502 10.9613 10.9615 11.8976 11.9016 12.3839 12.3846 12.9589 12.9596 13.7294 13.7314 k =-0.0833 0.0514 0.0000 ( 4283 PWs) bands (ev): -13.4438 -13.4438 -12.8123 -12.8121 -10.8039 -10.8037 -9.1467 -9.1462 -8.9772 -8.9750 -8.8692 -8.8661 -3.1988 -3.1986 -3.1555 -3.1542 -2.7760 -2.7740 -0.6863 -0.6846 -0.0269 -0.0266 0.0536 0.0538 0.4844 0.4860 0.9831 0.9836 1.7211 1.7212 2.3376 2.3382 2.9162 2.9165 3.5245 3.5271 3.6441 3.6476 3.8221 3.8238 3.9881 3.9883 4.4788 4.4799 4.7186 4.7189 5.4431 5.4432 10.9964 10.9967 11.8589 11.8633 12.4269 12.4280 12.9594 12.9602 13.7187 13.7210 k =-0.0972 0.0599 0.0000 ( 4271 PWs) bands (ev): -13.4361 -13.4361 -12.8126 -12.8124 -10.8230 -10.8228 -9.1444 -9.1438 -8.9802 -8.9779 -8.8657 -8.8623 -3.2249 -3.2246 -3.1259 -3.1243 -2.7361 -2.7339 -0.6934 -0.6914 -0.0395 -0.0392 0.0721 0.0723 0.4639 0.4657 0.9720 0.9726 1.7378 1.7379 2.3505 2.3512 2.9095 2.9099 3.4934 3.4957 3.6281 3.6310 3.8177 3.8192 3.9815 3.9817 4.4749 4.4761 4.7365 4.7366 5.4350 5.4351 11.0372 11.0376 11.8225 11.8273 12.4688 12.4703 12.9598 12.9607 13.7070 13.7094 k =-0.1111 0.0685 0.0000 ( 4271 PWs) bands (ev): -13.4272 -13.4272 -12.8130 -12.8127 -10.8447 -10.8444 -9.1419 -9.1412 -8.9831 -8.9807 -8.8622 -8.8585 -3.2499 -3.2495 -3.0919 -3.0902 -2.6953 -2.6929 -0.7013 -0.6990 -0.0538 -0.0535 0.0931 0.0933 0.4408 0.4427 0.9592 0.9599 1.7568 1.7569 2.3650 2.3659 2.9019 2.9024 3.4547 3.4567 3.6133 3.6154 3.8128 3.8140 3.9737 3.9738 4.4724 4.4735 4.7547 4.7547 5.4259 5.4260 11.0834 11.0838 11.7889 11.7940 12.5091 12.5110 12.9600 12.9610 13.6944 13.6970 k =-0.1250 0.0770 0.0000 ( 4278 PWs) bands (ev): -13.4173 -13.4173 -12.8134 -12.8130 -10.8686 -10.8684 -9.1392 -9.1385 -8.9859 -8.9834 -8.8586 -8.8547 -3.2736 -3.2730 -3.0538 -3.0519 -2.6538 -2.6512 -0.7098 -0.7073 -0.0698 -0.0695 0.1165 0.1168 0.4152 0.4173 0.9448 0.9455 1.7780 1.7781 2.3811 2.3821 2.8936 2.8942 3.4093 3.4109 3.5990 3.6004 3.8075 3.8086 3.9646 3.9648 4.4712 4.4722 4.7727 4.7729 5.4158 5.4160 11.1346 11.1351 11.7583 11.7638 12.5477 12.5498 12.9599 12.9610 13.6812 13.6839 k =-0.1389 0.0856 0.0000 ( 4270 PWs) bands (ev): -13.4063 -13.4063 -12.8138 -12.8134 -10.8948 -10.8945 -9.1364 -9.1357 -8.9885 -8.9859 -8.8552 -8.8511 -3.2959 -3.2952 -3.0117 -3.0096 -2.6117 -2.6089 -0.7189 -0.7160 -0.0872 -0.0871 0.1422 0.1425 0.3874 0.3897 0.9287 0.9294 1.8013 1.8014 2.3985 2.3996 2.8847 2.8854 3.3582 3.3595 3.5845 3.5851 3.8021 3.8029 3.9542 3.9544 4.4714 4.4723 4.7905 4.7909 5.4049 5.4051 11.1905 11.1910 11.7313 11.7371 12.5842 12.5865 12.9596 12.9607 13.6678 13.6705 k =-0.1528 0.0941 0.0000 ( 4270 PWs) bands (ev): -13.3943 -13.3943 -12.8142 -12.8139 -10.9229 -10.9226 -9.1336 -9.1328 -8.9909 -8.9882 -8.8520 -8.8478 -3.3168 -3.3161 -2.9658 -2.9635 -2.5692 -2.5661 -0.7283 -0.7252 -0.1061 -0.1060 0.1700 0.1703 0.3576 0.3600 0.9108 0.9117 1.8267 1.8267 2.4171 2.4183 2.8753 2.8760 3.3023 3.3033 3.5690 3.5691 3.7967 3.7972 3.9426 3.9428 4.4729 4.4737 4.8079 4.8084 5.3932 5.3934 11.2505 11.2511 11.7079 11.7139 12.6183 12.6208 12.9593 12.9604 13.6542 13.6569 k =-0.1667 0.1027 0.0000 ( 4264 PWs) bands (ev): -13.3813 -13.3813 -12.8147 -12.8143 -10.9527 -10.9524 -9.1307 -9.1299 -8.9929 -8.9902 -8.8490 -8.8447 -3.3364 -3.3355 -2.9163 -2.9137 -2.5262 -2.5230 -0.7381 -0.7347 -0.1262 -0.1262 0.1999 0.2002 0.3260 0.3284 0.8913 0.8922 1.8540 1.8540 2.4368 2.4380 2.8654 2.8662 3.2425 3.2434 3.5518 3.5522 3.7913 3.7916 3.9298 3.9300 4.4755 4.4762 4.8247 4.8253 5.3810 5.3811 11.3145 11.3151 11.6884 11.6947 12.6497 12.6523 12.9590 12.9600 13.6408 13.6434 k =-0.1806 0.1113 0.0000 ( 4260 PWs) bands (ev): -13.3674 -13.3673 -12.8152 -12.8148 -10.9841 -10.9838 -9.1278 -9.1270 -8.9945 -8.9918 -8.8464 -8.8419 -3.3545 -3.3536 -2.8632 -2.8604 -2.4829 -2.4795 -0.7481 -0.7445 -0.1476 -0.1474 0.2316 0.2320 0.2927 0.2952 0.8701 0.8710 1.8830 1.8831 2.4572 2.4585 2.8552 2.8561 3.1796 3.1804 3.5329 3.5339 3.7860 3.7861 3.9158 3.9160 4.4792 4.4797 4.8407 4.8415 5.3682 5.3684 11.3818 11.3825 11.6730 11.6795 12.6781 12.6806 12.9591 12.9601 13.6276 13.6302 k =-0.1944 0.1198 0.0000 ( 4252 PWs) bands (ev): -13.3525 -13.3525 -12.8157 -12.8153 -11.0168 -11.0166 -9.1250 -9.1241 -8.9958 -8.9931 -8.8441 -8.8395 -3.3713 -3.3703 -2.8069 -2.8039 -2.4394 -2.4358 -0.7581 -0.7543 -0.1700 -0.1696 0.2569 0.2603 0.2657 0.2662 0.8471 0.8480 1.9137 1.9139 2.4783 2.4797 2.8447 2.8457 3.1143 3.1150 3.5123 3.5137 3.7809 3.7810 3.9006 3.9008 4.4836 4.4840 4.8559 4.8569 5.3550 5.3552 11.4522 11.4530 11.6617 11.6684 12.7027 12.7052 12.9602 12.9610 13.6148 13.6172 k =-0.2083 0.1284 0.0000 ( 4248 PWs) bands (ev): -13.3369 -13.3368 -12.8163 -12.8158 -11.0507 -11.0504 -9.1222 -9.1214 -8.9967 -8.9939 -8.8422 -8.8376 -3.3867 -3.3856 -2.7476 -2.7444 -2.3958 -2.3919 -0.7682 -0.7641 -0.1933 -0.1926 0.2220 0.2246 0.3004 0.3006 0.8223 0.8233 1.9460 1.9462 2.4997 2.5013 2.8340 2.8351 3.0473 3.0480 3.4899 3.4916 3.7760 3.7762 3.8843 3.8846 4.4886 4.4889 4.8702 4.8713 5.3416 5.3418 11.5253 11.5261 11.6547 11.6616 12.7231 12.7253 12.9627 12.9635 13.6024 13.6048 k =-0.2222 0.1369 0.0000 ( 4260 PWs) bands (ev): -13.3205 -13.3204 -12.8168 -12.8163 -11.0855 -11.0852 -9.1196 -9.1187 -8.9971 -8.9943 -8.8407 -8.8360 -3.4007 -3.3996 -2.6855 -2.6820 -2.3522 -2.3481 -0.7782 -0.7738 -0.2172 -0.2163 0.1852 0.1878 0.3367 0.3369 0.7958 0.7968 1.9796 1.9799 2.5212 2.5229 2.8232 2.8245 2.9794 2.9801 3.4656 3.4676 3.7714 3.7717 3.8671 3.8674 4.4939 4.4941 4.8836 4.8848 5.3281 5.3283 11.6005 11.6014 11.6520 11.6590 12.7384 12.7404 12.9675 12.9680 13.5907 13.5929 k =-0.2361 0.1455 0.0000 ( 4256 PWs) bands (ev): -13.3034 -13.3034 -12.8173 -12.8169 -11.1210 -11.1207 -9.1170 -9.1162 -8.9971 -8.9942 -8.8397 -8.8350 -3.4133 -3.4122 -2.6208 -2.6172 -2.3086 -2.3044 -0.7879 -0.7832 -0.2416 -0.2404 0.1477 0.1501 0.3740 0.3742 0.7676 0.7686 2.0145 2.0148 2.5424 2.5441 2.8125 2.8139 2.9115 2.9122 3.4395 3.4417 3.7671 3.7675 3.8489 3.8492 4.4995 4.4996 4.8961 4.8974 5.3145 5.3148 11.6535 11.6606 11.6777 11.6786 12.7482 12.7498 12.9751 12.9753 13.5795 13.5816 k =-0.2500 0.1541 0.0000 ( 4252 PWs) bands (ev): -13.2858 -13.2857 -12.8179 -12.8174 -11.1569 -11.1567 -9.1146 -9.1138 -8.9966 -8.9938 -8.8392 -8.8344 -3.4247 -3.4236 -2.5539 -2.5500 -2.2653 -2.2609 -0.7974 -0.7924 -0.2664 -0.2648 0.1096 0.1119 0.4118 0.4121 0.7379 0.7389 2.0504 2.0509 2.5623 2.5641 2.8017 2.8033 2.8448 2.8455 3.4116 3.4140 3.7631 3.7636 3.8299 3.8303 4.5051 4.5051 4.9076 4.9090 5.3011 5.3014 11.6593 11.6664 11.7562 11.7572 12.7522 12.7534 12.9855 12.9856 13.5690 13.5709 k =-0.2639 0.1626 0.0000 ( 4248 PWs) bands (ev): -13.2676 -13.2676 -12.8184 -12.8180 -11.1931 -11.1929 -9.1124 -9.1116 -8.9957 -8.9928 -8.8392 -8.8344 -3.4349 -3.4337 -2.4850 -2.4809 -2.2223 -2.2177 -0.8064 -0.8012 -0.2913 -0.2893 0.0711 0.0732 0.4495 0.4498 0.7071 0.7082 2.0873 2.0879 2.5792 2.5811 2.7811 2.7820 2.7915 2.7930 3.3821 3.3847 3.7592 3.7598 3.8102 3.8106 4.5104 4.5105 4.9182 4.9197 5.2879 5.2882 11.6691 11.6762 11.8358 11.8369 12.7507 12.7514 12.9984 12.9986 13.5591 13.5608 k =-0.2778 0.1712 0.0000 ( 4242 PWs) bands (ev): -13.2491 -13.2490 -12.8190 -12.8185 -11.2293 -11.2291 -9.1103 -9.1095 -8.9944 -8.9914 -8.8396 -8.8348 -3.4438 -3.4427 -2.4145 -2.4102 -2.1798 -2.1751 -0.8150 -0.8094 -0.3161 -0.3137 0.0326 0.0344 0.4853 0.4857 0.6768 0.6778 2.1250 2.1257 2.5878 2.5898 2.7273 2.7279 2.7808 2.7826 3.3511 3.3539 3.7553 3.7558 3.7901 3.7907 4.5155 4.5157 4.9279 4.9294 5.2751 5.2753 11.6830 11.6901 11.9161 11.9172 12.7441 12.7446 13.0134 13.0137 13.5499 13.5514 k =-0.2917 0.1797 0.0000 ( 4242 PWs) bands (ev): -13.2303 -13.2302 -12.8195 -12.8191 -11.2653 -11.2651 -9.1083 -9.1076 -8.9926 -8.9896 -8.8405 -8.8357 -3.4516 -3.4505 -2.3428 -2.3383 -2.1379 -2.1331 -0.8229 -0.8170 -0.3406 -0.3378 -0.0059 -0.0044 0.5147 0.5153 0.6511 0.6520 2.1632 2.1640 2.5749 2.5762 2.6965 2.6966 2.7707 2.7726 3.3189 3.3219 3.7501 3.7505 3.7709 3.7716 4.5202 4.5205 4.9368 4.9383 5.2627 5.2629 11.7007 11.7077 11.9966 11.9978 12.7333 12.7333 13.0298 13.0302 13.5413 13.5427 k =-0.3056 0.1883 0.0000 ( 4240 PWs) bands (ev): -13.2114 -13.2113 -12.8201 -12.8196 -11.3008 -11.3006 -9.1066 -9.1058 -8.9904 -8.9874 -8.8419 -8.8371 -3.4584 -3.4573 -2.2702 -2.2655 -2.0968 -2.0919 -0.8300 -0.8239 -0.3646 -0.3614 -0.0441 -0.0429 0.5256 0.5265 0.6420 0.6426 2.2017 2.2027 2.5345 2.5350 2.6941 2.6951 2.7608 2.7629 3.2858 3.2889 3.7386 3.7389 3.7576 3.7585 4.5245 4.5248 4.9449 4.9465 5.2508 5.2510 11.7220 11.7290 12.0769 12.0782 12.7184 12.7186 13.0470 13.0474 13.5333 13.5345 k =-0.3194 0.1969 0.0000 ( 4244 PWs) bands (ev): -13.1925 -13.1924 -12.8206 -12.8202 -11.3355 -11.3353 -9.1049 -9.1043 -8.9878 -8.9847 -8.8438 -8.8390 -3.4642 -3.4631 -2.1972 -2.1923 -2.0567 -2.0518 -0.8363 -0.8299 -0.3879 -0.3842 -0.0818 -0.0809 0.5082 0.5095 0.6590 0.6593 2.2403 2.2415 2.4818 2.4820 2.7058 2.7073 2.7512 2.7535 3.2520 3.2552 3.7192 3.7196 3.7520 3.7529 4.5283 4.5286 4.9523 4.9538 5.2394 5.2397 11.7468 11.7537 12.1567 12.1581 12.7002 12.7006 13.0644 13.0649 13.5259 13.5270 k =-0.3333 0.2054 0.0000 ( 4242 PWs) bands (ev): -13.1737 -13.1737 -12.8211 -12.8207 -11.3693 -11.3692 -9.1035 -9.1028 -8.9848 -8.9817 -8.8460 -8.8413 -3.4691 -3.4681 -2.1244 -2.1193 -2.0178 -2.0128 -0.8416 -0.8349 -0.4102 -0.4061 -0.1188 -0.1183 0.4738 0.4752 0.6906 0.6908 2.2789 2.2803 2.4270 2.4270 2.7219 2.7236 2.7420 2.7445 3.2179 3.2211 3.6973 3.6978 3.7489 3.7496 4.5315 4.5318 4.9590 4.9605 5.2288 5.2290 11.7747 11.7815 12.2355 12.2369 12.6790 12.6797 13.0818 13.0822 13.5192 13.5201 k =-0.3472 0.2140 0.0000 ( 4230 PWs) bands (ev): -13.1553 -13.1553 -12.8215 -12.8211 -11.4019 -11.4017 -9.1022 -9.1016 -8.9815 -8.9784 -8.8487 -8.8440 -3.4731 -3.4722 -2.0523 -2.0470 -1.9803 -1.9754 -0.8458 -0.8388 -0.4314 -0.4268 -0.1547 -0.1547 0.4320 0.4335 0.7271 0.7273 2.3170 2.3186 2.3735 2.3736 2.7328 2.7356 2.7393 2.7415 3.1837 3.1871 3.6748 3.6753 3.7464 3.7471 4.5342 4.5345 4.9650 4.9665 5.2188 5.2191 11.8057 11.8123 12.3128 12.3142 12.6551 12.6561 13.0989 13.0992 13.5131 13.5138 k =-0.3611 0.2225 0.0000 ( 4228 PWs) bands (ev): -13.1375 -13.1375 -12.8220 -12.8216 -11.4329 -11.4328 -9.1010 -9.1004 -8.9778 -8.9748 -8.8517 -8.8471 -3.4765 -3.4756 -1.9815 -1.9762 -1.9445 -1.9396 -0.8486 -0.8414 -0.4512 -0.4462 -0.1898 -0.1895 0.3866 0.3882 0.7647 0.7649 2.3227 2.3228 2.3545 2.3563 2.7244 2.7274 2.7564 2.7587 3.1500 3.1534 3.6522 3.6527 3.7444 3.7450 4.5363 4.5367 4.9705 4.9718 5.2097 5.2099 11.8392 11.8457 12.3880 12.3895 12.6287 12.6299 13.1152 13.1154 13.5076 13.5081 k =-0.3750 0.2311 0.0000 ( 4230 PWs) bands (ev): -13.1204 -13.1204 -12.8224 -12.8220 -11.4622 -11.4621 -9.1000 -9.0994 -8.9740 -8.9709 -8.8550 -8.8505 -3.4791 -3.4783 -1.9130 -1.9107 -1.9074 -1.9059 -0.8501 -0.8427 -0.4694 -0.4641 -0.2235 -0.2227 0.3393 0.3409 0.8018 0.8020 2.2754 2.2756 2.3910 2.3931 2.7161 2.7194 2.7730 2.7755 3.1170 3.1206 3.6298 3.6304 3.7426 3.7432 4.5380 4.5383 4.9754 4.9767 5.2013 5.2015 11.8752 11.8815 12.4607 12.4622 12.5999 12.6014 13.1307 13.1309 13.5028 13.5032 k =-0.3889 0.2397 0.0000 ( 4236 PWs) bands (ev): -13.1043 -13.1042 -12.8227 -12.8224 -11.4894 -11.4893 -9.0991 -9.0986 -8.9699 -8.9668 -8.8585 -8.8542 -3.4813 -3.4805 -1.8790 -1.8744 -1.8474 -1.8419 -0.8500 -0.8425 -0.4858 -0.4803 -0.2553 -0.2541 0.2910 0.2928 0.8375 0.8377 2.2322 2.2324 2.4261 2.4285 2.7081 2.7116 2.7888 2.7915 3.0853 3.0890 3.6080 3.6086 3.7410 3.7415 4.5392 4.5396 4.9798 4.9809 5.1937 5.1939 11.9133 11.9194 12.5300 12.5316 12.5689 12.5707 13.1452 13.1453 13.4987 13.4989 k =-0.4028 0.2482 0.0000 ( 4232 PWs) bands (ev): -13.0893 -13.0893 -12.8231 -12.8228 -11.5142 -11.5141 -9.0983 -9.0979 -8.9657 -8.9627 -8.8621 -8.8581 -3.4829 -3.4822 -1.8499 -1.8456 -1.7858 -1.7805 -0.8482 -0.8409 -0.5003 -0.4946 -0.2849 -0.2833 0.2430 0.2448 0.8711 0.8712 2.1933 2.1935 2.4596 2.4623 2.7003 2.7041 2.8036 2.8065 3.0553 3.0590 3.5872 3.5878 3.7396 3.7401 4.5401 4.5404 4.9836 4.9846 5.1870 5.1872 11.9532 11.9591 12.5357 12.5376 12.5955 12.5969 13.1585 13.1585 13.4953 13.4955 k =-0.4167 0.2568 0.0000 ( 4228 PWs) bands (ev): -13.0757 -13.0757 -12.8234 -12.8231 -11.5365 -11.5364 -9.0976 -9.0973 -8.9614 -8.9586 -8.8659 -8.8620 -3.4841 -3.4835 -1.8236 -1.8197 -1.7293 -1.7241 -0.8448 -0.8377 -0.5126 -0.5070 -0.3120 -0.3101 0.1964 0.1982 0.9020 0.9021 2.1590 2.1592 2.4911 2.4941 2.6926 2.6966 2.8174 2.8204 3.0273 3.0311 3.5677 3.5683 3.7384 3.7388 4.5407 4.5409 4.9869 4.9878 5.1812 5.1813 11.9946 12.0002 12.5006 12.5028 12.6559 12.6572 13.1704 13.1704 13.4928 13.4929 k =-0.4306 0.2653 0.0000 ( 4230 PWs) bands (ev): -13.0638 -13.0638 -12.8236 -12.8234 -11.5558 -11.5558 -9.0971 -9.0968 -8.9573 -8.9546 -8.8695 -8.8660 -3.4850 -3.4845 -1.8006 -1.7972 -1.6789 -1.6741 -0.8400 -0.8334 -0.5228 -0.5175 -0.3360 -0.3339 0.1525 0.1543 0.9294 0.9295 2.1296 2.1297 2.5201 2.5235 2.6849 2.6891 2.8300 2.8331 3.0018 3.0056 3.5501 3.5507 3.7374 3.7378 4.5410 4.5412 4.9897 4.9905 5.1762 5.1763 12.0371 12.0425 12.4636 12.4661 12.7103 12.7115 13.1808 13.1808 13.4911 13.4911 k =-0.4444 0.2739 0.0000 ( 4230 PWs) bands (ev): -13.0537 -13.0536 -12.8238 -12.8236 -11.5720 -11.5720 -9.0966 -9.0964 -8.9533 -8.9510 -8.8728 -8.8698 -3.4857 -3.4853 -1.7811 -1.7782 -1.6357 -1.6315 -0.8341 -0.8283 -0.5308 -0.5260 -0.3565 -0.3544 0.1131 0.1146 0.9528 0.9529 2.1052 2.1053 2.5465 2.5501 2.6770 2.6813 2.8416 2.8448 2.9791 2.9829 3.5349 3.5353 3.7366 3.7369 4.5412 4.5414 4.9921 4.9927 5.1721 5.1722 12.0805 12.0857 12.4249 12.4277 12.7575 12.7586 13.1895 13.1896 13.4902 13.4903 k =-0.4583 0.2824 0.0000 ( 4242 PWs) bands (ev): -13.0456 -13.0456 -12.8240 -12.8238 -11.5849 -11.5849 -9.0963 -9.0961 -8.9498 -8.9478 -8.8757 -8.8732 -3.4861 -3.4858 -1.7655 -1.7632 -1.6007 -1.5974 -0.8279 -0.8230 -0.5365 -0.5325 -0.3731 -0.3712 0.0797 0.0810 0.9717 0.9718 2.0860 2.0861 2.5698 2.5736 2.6688 2.6731 2.8520 2.8551 2.9598 2.9633 3.5223 3.5227 3.7360 3.7362 4.5412 4.5414 4.9939 4.9944 5.1690 5.1690 12.1245 12.1294 12.3847 12.3878 12.7962 12.7972 13.1965 13.1966 13.4899 13.4900 k =-0.4722 0.2910 0.0000 ( 4250 PWs) bands (ev): -13.0397 -13.0397 -12.8241 -12.8240 -11.5943 -11.5942 -9.0960 -9.0959 -8.9469 -8.9454 -8.8779 -8.8761 -3.4863 -3.4861 -1.7539 -1.7524 -1.5749 -1.5725 -0.8220 -0.8186 -0.5403 -0.5374 -0.3852 -0.3838 0.0543 0.0552 0.9856 0.9857 2.0722 2.0722 2.5896 2.5933 2.6604 2.6645 2.8612 2.8639 2.9444 2.9474 3.5131 3.5133 3.7355 3.7356 4.5413 4.5413 4.9952 4.9955 5.1667 5.1668 12.1687 12.1733 12.3433 12.3467 12.8252 12.8259 13.2016 13.2016 13.4902 13.4903 k =-0.4861 0.2996 0.0000 ( 4242 PWs) bands (ev): -13.0361 -13.0361 -12.8241 -12.8241 -11.5999 -11.5999 -9.0958 -9.0958 -8.9448 -8.9441 -8.8791 -8.8782 -3.4864 -3.4863 -1.7468 -1.7460 -1.5589 -1.5576 -0.8176 -0.8158 -0.5420 -0.5405 -0.3924 -0.3917 0.0383 0.0388 0.9941 0.9941 2.0638 2.0639 2.6049 2.6078 2.6529 2.6560 2.8683 2.8701 2.9342 2.9360 3.5074 3.5075 3.7353 3.7353 4.5413 4.5413 4.9961 4.9962 5.1653 5.1654 12.2127 12.2170 12.3011 12.3047 12.8432 12.8436 13.2047 13.2047 13.4906 13.4906 k =-0.5000 0.3081 0.0000 ( 4242 PWs) bands (ev): -13.0349 -13.0349 -12.8241 -12.8241 -11.6018 -11.6018 -9.0958 -9.0958 -8.9439 -8.9439 -8.8792 -8.8792 -3.4864 -3.4864 -1.7441 -1.7441 -1.5531 -1.5531 -0.8154 -0.8154 -0.5421 -0.5421 -0.3946 -0.3946 0.0331 0.0331 0.9970 0.9970 2.0610 2.0610 2.6126 2.6126 2.6506 2.6506 2.8718 2.8718 2.9311 2.9311 3.5055 3.5055 3.7352 3.7352 4.5413 4.5413 4.9964 4.9964 5.1649 5.1649 12.2522 12.2522 12.2661 12.2661 12.8495 12.8495 13.2057 13.2057 13.4907 13.4907 k =-0.5000 0.3081 0.0000 ( 4242 PWs) bands (ev): -13.0349 -13.0349 -12.8241 -12.8241 -11.6018 -11.6018 -9.0958 -9.0958 -8.9439 -8.9439 -8.8792 -8.8792 -3.4864 -3.4864 -1.7441 -1.7441 -1.5531 -1.5531 -0.8154 -0.8154 -0.5421 -0.5421 -0.3946 -0.3946 0.0331 0.0331 0.9970 0.9970 2.0610 2.0610 2.6126 2.6126 2.6506 2.6506 2.8718 2.8718 2.9311 2.9311 3.5055 3.5055 3.7352 3.7352 4.5413 4.5413 4.9964 4.9964 5.1649 5.1649 12.2522 12.2522 12.2661 12.2661 12.8495 12.8495 13.2057 13.2057 13.4907 13.4907 k =-0.4914 0.3221-0.0000 ( 4244 PWs) bands (ev): -13.0351 -13.0351 -12.8242 -12.8242 -11.6008 -11.6008 -9.1047 -9.1027 -8.9435 -8.9431 -8.8739 -8.8715 -3.4860 -3.4859 -1.7490 -1.7484 -1.5444 -1.5441 -0.8165 -0.8164 -0.5439 -0.5436 -0.4076 -0.4041 0.0417 0.0455 0.9974 0.9977 2.0613 2.0615 2.6119 2.6137 2.6477 2.6494 2.8713 2.8732 2.9293 2.9312 3.5062 3.5068 3.7347 3.7351 4.5422 4.5427 4.9928 4.9937 5.1639 5.1648 12.2531 12.2533 12.2659 12.2663 12.8542 12.8544 13.1935 13.1993 13.5006 13.5062 k =-0.4828 0.3361-0.0000 ( 4248 PWs) bands (ev): -13.0356 -13.0356 -12.8244 -12.8244 -11.5979 -11.5979 -9.1269 -9.1235 -8.9420 -8.9413 -8.8577 -8.8535 -3.4845 -3.4843 -1.7606 -1.7596 -1.5204 -1.5199 -0.8196 -0.8195 -0.5491 -0.5485 -0.4397 -0.4336 0.0691 0.0758 0.9988 0.9994 2.0622 2.0626 2.6117 2.6154 2.6409 2.6441 2.8717 2.8754 2.9260 2.9297 3.5088 3.5100 3.7338 3.7346 4.5456 4.5466 4.9831 4.9847 5.1619 5.1636 12.2560 12.2563 12.2657 12.2665 12.8683 12.8687 13.1677 13.1777 13.5327 13.5421 k =-0.4742 0.3501-0.0000 ( 4248 PWs) bands (ev): -13.0365 -13.0365 -12.8248 -12.8247 -11.5931 -11.5930 -9.1579 -9.1537 -8.9394 -8.9384 -8.8351 -8.8297 -3.4819 -3.4816 -1.7750 -1.7735 -1.4854 -1.4845 -0.8247 -0.8246 -0.5576 -0.5566 -0.4851 -0.4774 0.1094 0.1180 1.0011 1.0020 2.0638 2.0644 2.6119 2.6174 2.6302 2.6349 2.8730 2.8785 2.9211 2.9265 3.5134 3.5152 3.7324 3.7336 4.5514 4.5529 4.9678 4.9700 5.1586 5.1610 12.2604 12.2614 12.2660 12.2674 12.8911 12.8913 13.1360 13.1485 13.5796 13.5910 k =-0.4655 0.3640-0.0000 ( 4252 PWs) bands (ev): -13.0378 -13.0378 -12.8252 -12.8252 -11.5863 -11.5862 -9.1942 -9.1898 -8.9357 -8.9344 -8.8094 -8.8033 -3.4783 -3.4779 -1.7889 -1.7870 -1.4425 -1.4412 -0.8319 -0.8318 -0.5694 -0.5679 -0.5386 -0.5302 0.1575 0.1673 1.0042 1.0055 2.0661 2.0669 2.6114 2.6168 2.6188 2.6223 2.8754 2.8826 2.9147 2.9218 3.5198 3.5223 3.7305 3.7322 4.5595 4.5615 4.9473 4.9500 5.1537 5.1566 12.2649 12.2664 12.2691 12.2711 12.9199 12.9204 13.1045 13.1190 13.6358 13.6483 k =-0.4569 0.3780-0.0000 ( 4242 PWs) bands (ev): -13.0395 -13.0395 -12.8258 -12.8258 -11.5775 -11.5775 -9.2341 -9.2296 -8.9309 -8.9293 -8.7829 -8.7762 -3.4738 -3.4733 -1.8006 -1.7983 -1.3936 -1.3919 -0.8411 -0.8410 -0.5988 -0.5885 -0.5825 -0.5820 0.2099 0.2204 1.0080 1.0095 2.0693 2.0702 2.5959 2.6036 2.6147 2.6226 2.8790 2.8876 2.9070 2.9154 3.5281 3.5313 3.7282 3.7303 4.5699 4.5724 4.9222 4.9252 5.1469 5.1502 12.2680 12.2689 12.2779 12.2790 12.9494 12.9512 13.0802 13.0966 13.6981 13.7110 k =-0.4483 0.3920-0.0000 ( 4250 PWs) bands (ev): -13.0416 -13.0416 -12.8265 -12.8265 -11.5669 -11.5668 -9.2763 -9.2718 -8.9251 -8.9232 -8.7568 -8.7497 -3.4683 -3.4677 -1.8092 -1.8066 -1.3399 -1.3378 -0.8524 -0.8522 -0.6600 -0.6501 -0.6003 -0.5989 0.2644 0.2755 1.0121 1.0139 2.0733 2.0744 2.5734 2.5821 2.6160 2.6252 2.8836 2.8936 2.8980 2.9075 3.5381 3.5421 3.7255 3.7281 4.5825 4.5854 4.8931 4.8963 5.1382 5.1417 12.2718 12.2727 12.2888 12.2896 12.9672 12.9691 13.0781 13.0946 13.7644 13.7763 k =-0.4397 0.4060-0.0000 ( 4248 PWs) bands (ev): -13.0441 -13.0441 -12.8273 -12.8273 -11.5543 -11.5542 -9.3201 -9.3157 -8.9182 -8.9160 -8.7316 -8.7242 -3.4619 -3.4612 -1.8141 -1.8112 -1.2822 -1.2796 -0.8657 -0.8655 -0.7235 -0.7136 -0.6201 -0.6183 0.3197 0.3312 1.0164 1.0185 2.0782 2.0794 2.5469 2.5564 2.6178 2.6279 2.8853 2.8920 2.8977 2.9012 3.5498 3.5547 3.7224 3.7257 4.5972 4.6006 4.8605 4.8638 5.1274 5.1311 12.2769 12.2783 12.3016 12.3023 12.9619 12.9628 13.1106 13.1240 13.7501 13.7520 k =-0.4311 0.4200-0.0000 ( 4240 PWs) bands (ev): -13.0471 -13.0470 -12.8281 -12.8281 -11.5398 -11.5397 -9.3651 -9.3608 -8.9104 -8.9079 -8.7079 -8.7002 -3.4547 -3.4539 -1.8152 -1.8119 -1.2211 -1.2180 -0.8811 -0.8808 -0.7876 -0.7778 -0.6420 -0.6399 0.3752 0.3869 1.0205 1.0228 2.0842 2.0855 2.5165 2.5268 2.6198 2.6305 2.8747 2.8871 2.8986 2.9094 3.5631 3.5690 3.7191 3.7230 4.6139 4.6177 4.8248 4.8282 5.1145 5.1183 12.2836 12.2856 12.3161 12.3168 12.9433 12.9460 13.1640 13.1751 13.7148 13.7169 k =-0.4225 0.4339-0.0000 ( 4244 PWs) bands (ev): -13.0504 -13.0504 -12.8290 -12.8290 -11.5234 -11.5232 -9.4110 -9.4068 -8.9015 -8.8987 -8.6859 -8.6780 -3.4466 -3.4458 -1.8124 -1.8088 -1.1578 -1.1541 -0.8984 -0.8980 -0.8509 -0.8414 -0.6659 -0.6635 0.4302 0.4420 1.0242 1.0267 2.0912 2.0926 2.4823 2.4932 2.6221 2.6331 2.8618 2.8748 2.9077 2.9190 3.5777 3.5848 3.7155 3.7203 4.6325 4.6367 4.7866 4.7900 5.0997 5.1035 12.2917 12.2945 12.3323 12.3329 12.9238 12.9270 13.2276 13.2374 13.6737 13.6759 k =-0.4139 0.4479-0.0000 ( 4244 PWs) bands (ev): -13.0543 -13.0542 -12.8299 -12.8299 -11.5050 -11.5049 -9.4574 -9.4534 -8.8917 -8.8886 -8.6658 -8.6576 -3.4379 -3.4370 -1.8056 -1.8018 -1.0954 -1.0904 -0.9176 -0.9172 -0.9102 -0.9015 -0.6915 -0.6888 0.4843 0.4963 1.0271 1.0298 2.0995 2.1010 2.4445 2.4557 2.6244 2.6355 2.8476 2.8613 2.9185 2.9298 3.5935 3.6020 3.7119 3.7179 4.6529 4.6575 4.7463 4.7496 5.0831 5.0869 12.3008 12.3046 12.3500 12.3506 12.9073 12.9102 13.2977 13.3067 13.6285 13.6308 k =-0.4052 0.4619-0.0000 ( 4248 PWs) bands (ev): -13.0586 -13.0585 -12.8308 -12.8308 -11.4848 -11.4847 -9.5042 -9.5004 -8.8809 -8.8775 -8.6476 -8.6393 -3.4286 -3.4275 -1.7951 -1.7910 -1.0516 -1.0432 -0.9479 -0.9428 -0.9382 -0.9372 -0.7187 -0.7157 0.5374 0.5495 1.0289 1.0318 2.1090 2.1106 2.4031 2.4146 2.6270 2.6377 2.8323 2.8464 2.9307 2.9419 3.6100 3.6205 3.7083 3.7159 4.6748 4.6799 4.7042 4.7076 5.0648 5.0686 12.3107 12.3156 12.3691 12.3697 12.8953 12.8975 13.3726 13.3811 13.5806 13.5829 k =-0.3966 0.4759-0.0000 ( 4250 PWs) bands (ev): -13.0635 -13.0634 -12.8317 -12.8316 -11.4628 -11.4626 -9.5512 -9.5475 -8.8693 -8.8656 -8.6315 -8.6231 -3.4187 -3.4176 -1.7812 -1.7769 -1.0748 -1.0638 -0.9611 -0.9605 -0.9142 -0.9109 -0.7473 -0.7440 0.5892 0.6014 1.0294 1.0325 2.1199 2.1216 2.3582 2.3699 2.6296 2.6400 2.8159 2.8305 2.9444 2.9551 3.6266 3.6397 3.7054 3.7152 4.6607 4.6637 4.6986 4.7037 5.0451 5.0488 12.3205 12.3266 12.3893 12.3900 12.8890 12.8902 13.4515 13.4596 13.5307 13.5330 k =-0.3880 0.4898-0.0000 ( 4250 PWs) bands (ev): -13.0688 -13.0687 -12.8325 -12.8324 -11.4388 -11.4386 -9.5982 -9.5947 -8.8569 -8.8529 -8.6175 -8.6090 -3.4084 -3.4072 -1.7644 -1.7599 -1.1291 -1.1181 -0.9851 -0.9843 -0.8460 -0.8422 -0.7770 -0.7735 0.6397 0.6519 1.0283 1.0315 2.1323 2.1340 2.3101 2.3219 2.6325 2.6422 2.7985 2.8134 2.9593 2.9695 3.6420 3.6583 3.7043 3.7171 4.6164 4.6193 4.7233 4.7288 5.0242 5.0278 12.3297 12.3370 12.4106 12.4113 12.8892 12.8892 13.4794 13.4816 13.5338 13.5416 k =-0.3794 0.5038-0.0000 ( 4258 PWs) bands (ev): -13.0747 -13.0746 -12.8332 -12.8332 -11.4130 -11.4128 -9.6451 -9.6417 -8.8436 -8.8393 -8.6056 -8.5969 -3.3979 -3.3966 -1.7454 -1.7408 -1.1867 -1.1758 -1.0103 -1.0094 -0.8081 -0.8042 -0.7696 -0.7655 0.6888 0.7010 1.0253 1.0286 2.1462 2.1479 2.2590 2.2708 2.6357 2.6445 2.7801 2.7952 2.9753 2.9847 3.6540 3.6721 3.7093 3.7236 4.5713 4.5741 4.7493 4.7551 5.0024 5.0058 12.3376 12.3461 12.4327 12.4333 12.8952 12.8964 13.4272 13.4294 13.6185 13.6262 k =-0.3708 0.5178-0.0000 ( 4265 PWs) bands (ev): -13.0811 -13.0810 -12.8339 -12.8339 -11.3854 -11.3851 -9.6917 -9.6885 -8.8296 -8.8251 -8.5958 -8.5870 -3.3871 -3.3858 -1.7257 -1.7210 -1.2421 -1.2313 -1.0366 -1.0355 -0.8400 -0.8359 -0.6899 -0.6852 0.7364 0.7486 1.0202 1.0236 2.1616 2.1634 2.2050 2.2168 2.6391 2.6470 2.7608 2.7761 2.9923 3.0008 3.6610 3.6767 3.7249 3.7364 4.5260 4.5286 4.7764 4.7824 4.9798 4.9831 12.3437 12.3534 12.4552 12.4559 12.9088 12.9112 13.3742 13.3764 13.7056 13.7132 k =-0.3622 0.5318-0.0000 ( 4257 PWs) bands (ev): -13.0881 -13.0879 -12.8344 -12.8344 -11.3560 -11.3557 -9.7380 -9.7349 -8.8150 -8.8101 -8.5880 -8.5791 -3.3764 -3.3750 -1.7074 -1.7027 -1.2924 -1.2815 -1.0635 -1.0622 -0.8730 -0.8686 -0.6076 -0.6026 0.7826 0.7947 1.0128 1.0163 2.1484 2.1595 2.1795 2.1806 2.6429 2.6499 2.7406 2.7560 3.0101 3.0176 3.6634 3.6756 3.7476 3.7551 4.4806 4.4831 4.8043 4.8106 4.9566 4.9598 12.3479 12.3584 12.4780 12.4787 12.9302 12.9336 13.3207 13.3228 13.7945 13.8019 k =-0.3536 0.5458-0.0000 ( 4263 PWs) bands (ev): -13.0955 -13.0954 -12.8349 -12.8349 -11.3247 -11.3244 -9.7837 -9.7808 -8.7997 -8.7946 -8.5822 -8.5733 -3.3658 -3.3644 -1.6941 -1.6895 -1.3335 -1.3226 -1.0908 -1.0894 -0.9070 -0.9023 -0.5234 -0.5180 0.8274 0.8395 1.0029 1.0064 2.0895 2.1008 2.1980 2.1995 2.6472 2.6531 2.7196 2.7350 3.0284 3.0348 3.6631 3.6727 3.7733 3.7779 4.4355 4.4378 4.8329 4.8395 4.9331 4.9362 12.3501 12.3613 12.5005 12.5014 12.9591 12.9635 13.2668 13.2688 13.8847 13.8921 k =-0.3449 0.5597-0.0000 ( 4259 PWs) bands (ev): -13.1035 -13.1034 -12.8352 -12.8352 -11.2917 -11.2914 -9.8289 -9.8262 -8.7839 -8.7785 -8.5782 -8.5693 -3.3555 -3.3540 -1.6912 -1.6865 -1.3604 -1.3495 -1.1183 -1.1167 -0.9418 -0.9369 -0.4378 -0.4320 0.8709 0.8830 0.9904 0.9939 2.0286 2.0397 2.2187 2.2202 2.6520 2.6568 2.6978 2.7132 3.0470 3.0524 3.6614 3.6693 3.8009 3.8035 4.3909 4.3930 4.8621 4.8688 4.9095 4.9125 12.3504 12.3621 12.5225 12.5235 12.9953 13.0004 13.2128 13.2146 13.9686 13.9696 k =-0.3449 0.5597-0.0000 ( 4259 PWs) bands (ev): -13.1035 -13.1034 -12.8352 -12.8352 -11.2917 -11.2914 -9.8289 -9.8262 -8.7839 -8.7785 -8.5782 -8.5693 -3.3555 -3.3540 -1.6912 -1.6865 -1.3604 -1.3495 -1.1183 -1.1167 -0.9418 -0.9369 -0.4378 -0.4320 0.8709 0.8830 0.9904 0.9939 2.0286 2.0397 2.2187 2.2202 2.6520 2.6568 2.6978 2.7132 3.0470 3.0524 3.6614 3.6693 3.8009 3.8035 4.3909 4.3930 4.8621 4.8688 4.9095 4.9125 12.3504 12.3621 12.5225 12.5235 12.9953 13.0004 13.2128 13.2146 13.9686 13.9696 k =-0.3449 0.5597 0.0163 ( 4258 PWs) bands (ev): -13.1033 -13.1032 -12.8353 -12.8353 -11.2907 -11.2904 -9.8284 -9.8257 -8.7863 -8.7809 -8.5792 -8.5703 -3.3529 -3.3514 -1.7024 -1.6976 -1.3465 -1.3357 -1.1180 -1.1164 -0.9413 -0.9363 -0.4418 -0.4361 0.8731 0.8852 0.9910 0.9944 2.0266 2.0376 2.2183 2.2198 2.6515 2.6562 2.6972 2.7125 3.0491 3.0544 3.6607 3.6686 3.8021 3.8046 4.3907 4.3928 4.8619 4.8686 4.9089 4.9119 12.3470 12.3586 12.5208 12.5218 12.9976 13.0025 13.2080 13.2098 13.9658 13.9668 k =-0.3449 0.5597 0.0326 ( 4268 PWs) bands (ev): -13.1027 -13.1026 -12.8356 -12.8356 -11.2878 -11.2875 -9.8269 -9.8241 -8.7934 -8.7880 -8.5820 -8.5731 -3.3449 -3.3435 -1.7314 -1.7263 -1.3094 -1.2989 -1.1173 -1.1158 -0.9394 -0.9344 -0.4539 -0.4483 0.8798 0.8917 0.9926 0.9961 2.0205 2.0312 2.2171 2.2186 2.6500 2.6545 2.6953 2.7104 3.0551 3.0603 3.6589 3.6666 3.8055 3.8079 4.3902 4.3922 4.8614 4.8681 4.9070 4.9099 12.3371 12.3485 12.5156 12.5166 13.0041 13.0087 13.1938 13.1956 13.9582 13.9591 k =-0.3449 0.5597 0.0490 ( 4267 PWs) bands (ev): -13.1017 -13.1016 -12.8361 -12.8361 -11.2829 -11.2826 -9.8242 -9.8215 -8.8052 -8.7998 -8.5866 -8.5778 -3.3319 -3.3305 -1.7702 -1.7650 -1.2570 -1.2467 -1.1164 -1.1150 -0.9361 -0.9310 -0.4735 -0.4682 0.8905 0.9020 0.9954 0.9989 2.0104 2.0207 2.2151 2.2165 2.6479 2.6520 2.6922 2.7067 3.0649 3.0699 3.6560 3.6635 3.8110 3.8133 4.3893 4.3913 4.8605 4.8671 4.9037 4.9067 12.3216 12.3327 12.5072 12.5081 13.0144 13.0184 13.1705 13.1723 13.9477 13.9487 k =-0.3449 0.5597 0.0653 ( 4267 PWs) bands (ev): -13.1003 -13.1002 -12.8368 -12.8368 -11.2761 -11.2758 -9.8206 -9.8179 -8.8215 -8.8162 -8.5931 -8.5844 -3.3137 -3.3124 -1.8132 -1.8079 -1.1951 -1.1850 -1.1157 -1.1145 -0.9308 -0.9256 -0.5002 -0.4952 0.9047 0.9156 0.9992 1.0027 1.9964 2.0062 2.2121 2.2135 2.6455 2.6492 2.6877 2.7015 3.0780 3.0827 3.6523 3.6595 3.8183 3.8205 4.3880 4.3901 4.8591 4.8657 4.8992 4.9021 12.3017 12.3126 12.4956 12.4966 13.0276 13.0309 13.1389 13.1407 13.9364 13.9374 k =-0.3449 0.5597 0.0816 ( 4270 PWs) bands (ev): -13.0986 -13.0984 -12.8378 -12.8377 -11.2673 -11.2670 -9.8159 -9.8133 -8.8423 -8.8371 -8.6014 -8.5928 -3.2907 -3.2895 -1.8571 -1.8518 -1.1275 -1.1170 -1.1154 -1.1147 -0.9230 -0.9177 -0.5331 -0.5286 0.9215 0.9319 1.0042 1.0078 1.9789 1.9880 2.2082 2.2095 2.6434 2.6466 2.6816 2.6946 3.0941 3.0985 3.6479 3.6549 3.8272 3.8292 4.3865 4.3885 4.8573 4.8638 4.8934 4.8963 12.2789 12.2895 12.4812 12.4821 13.0431 13.0456 13.1002 13.1019 13.9254 13.9263 k =-0.3449 0.5597 0.0979 ( 4275 PWs) bands (ev): -13.0964 -13.0962 -12.8389 -12.8388 -11.2566 -11.2563 -9.8102 -9.8076 -8.8673 -8.8622 -8.6114 -8.6029 -3.2631 -3.2620 -1.9004 -1.8951 -1.1174 -1.1163 -1.0544 -1.0446 -0.9121 -0.9069 -0.5715 -0.5675 0.9402 0.9500 1.0102 1.0139 1.9578 1.9661 2.2033 2.2045 2.6419 2.6445 2.6737 2.6857 3.1127 3.1168 3.6431 3.6497 3.8374 3.8392 4.3846 4.3865 4.8550 4.8614 4.8863 4.8892 12.2546 12.2650 12.4640 12.4649 13.0543 13.0565 13.0618 13.0628 13.9150 13.9159 k =-0.3449 0.5597 0.1142 ( 4275 PWs) bands (ev): -13.0938 -13.0937 -12.8402 -12.8402 -11.2440 -11.2437 -9.8034 -9.8008 -8.8963 -8.8913 -8.6232 -8.6149 -3.2311 -3.2301 -1.9419 -1.9368 -1.1206 -1.1196 -0.9788 -0.9688 -0.8977 -0.8925 -0.6146 -0.6110 0.9601 0.9692 1.0174 1.0211 1.9335 1.9410 2.1973 2.1985 2.6414 2.6434 2.6640 2.6749 3.1334 3.1372 3.6379 3.6443 3.8486 3.8504 4.3824 4.3843 4.8521 4.8584 4.8780 4.8808 12.2300 12.2403 12.4443 12.4452 13.0070 13.0085 13.0790 13.0799 13.9050 13.9059 k =-0.3449 0.5597 0.1306 ( 4274 PWs) bands (ev): -13.0909 -13.0908 -12.8417 -12.8417 -11.2294 -11.2292 -9.7956 -9.7931 -8.9292 -8.9244 -8.6367 -8.6285 -3.1949 -3.1942 -1.9811 -1.9762 -1.1259 -1.1250 -0.9011 -0.8907 -0.8791 -0.8743 -0.6615 -0.6584 0.9805 0.9889 1.0256 1.0294 1.9063 1.9128 2.1904 2.1915 2.6420 2.6433 2.6524 2.6619 3.1558 3.1593 3.6325 3.6387 3.8608 3.8626 4.3800 4.3819 4.8485 4.8547 4.8684 4.8711 12.2064 12.2165 12.4222 12.4230 12.9563 12.9577 13.0984 13.0985 13.8950 13.8957 k =-0.3449 0.5597 0.1469 ( 4274 PWs) bands (ev): -13.0877 -13.0875 -12.8434 -12.8434 -11.2130 -11.2127 -9.7868 -9.7843 -8.9657 -8.9610 -8.6518 -8.6438 -3.1551 -3.1545 -2.0178 -2.0130 -1.1335 -1.1326 -0.8579 -0.8522 -0.8209 -0.8115 -0.7106 -0.7078 1.0006 1.0083 1.0350 1.0389 1.8762 1.8819 2.1826 2.1837 2.6367 2.6425 2.6465 2.6482 3.1795 3.1828 3.6271 3.6330 3.8737 3.8755 4.3774 4.3792 4.8441 4.8502 4.8575 4.8603 12.1846 12.1947 12.3976 12.3984 12.9054 12.9066 13.1179 13.1185 13.8841 13.8847 k =-0.3449 0.5597 0.1632 ( 4274 PWs) bands (ev): -13.0841 -13.0839 -12.8453 -12.8453 -11.1946 -11.1943 -9.7769 -9.7745 -9.0055 -9.0009 -8.6684 -8.6606 -3.1118 -3.1113 -2.0516 -2.0471 -1.1433 -1.1425 -0.8315 -0.8260 -0.7746 -0.7710 -0.7280 -0.7197 1.0200 1.0270 1.0455 1.0495 1.8437 1.8484 2.1742 2.1753 2.6205 2.6277 2.6487 2.6492 3.2044 3.2074 3.6215 3.6273 3.8873 3.8892 4.3746 4.3764 4.8390 4.8445 4.8455 4.8486 12.1654 12.1754 12.3704 12.3712 12.8560 12.8570 13.1379 13.1392 13.8716 13.8721 k =-0.3449 0.5597 0.1795 ( 4278 PWs) bands (ev): -13.0801 -13.0800 -12.8475 -12.8475 -11.1743 -11.1741 -9.7660 -9.7637 -9.0483 -9.0439 -8.6866 -8.6790 -3.0654 -3.0652 -2.0825 -2.0781 -1.1555 -1.1546 -0.8244 -0.8221 -0.8007 -0.7957 -0.6504 -0.6407 1.0382 1.0445 1.0571 1.0611 1.8088 1.8126 2.1653 2.1664 2.6012 2.6073 2.6535 2.6536 3.2301 3.2329 3.6161 3.6216 3.9014 3.9034 4.3717 4.3734 4.8323 4.8329 4.8341 4.8394 12.1495 12.1595 12.3408 12.3415 12.8098 12.8106 13.1584 13.1604 13.8568 13.8572 k =-0.3449 0.5597 0.1958 ( 4270 PWs) bands (ev): -13.0759 -13.0757 -12.8499 -12.8498 -11.1521 -11.1520 -9.7541 -9.7519 -9.0940 -9.0897 -8.7062 -8.6988 -3.0163 -3.0163 -2.1102 -2.1061 -1.1698 -1.1689 -0.8805 -0.8788 -0.7667 -0.7617 -0.5664 -0.5566 1.0549 1.0604 1.0697 1.0739 1.7719 1.7747 2.1563 2.1574 2.5793 2.5840 2.6591 2.6594 3.2563 3.2589 3.6107 3.6161 3.9162 3.9183 4.3688 4.3705 4.8179 4.8200 4.8258 4.8319 12.1373 12.1474 12.3086 12.3092 12.7682 12.7689 13.1793 13.1819 13.8391 13.8395 k =-0.3449 0.5597 0.2122 ( 4272 PWs) bands (ev): -13.0713 -13.0712 -12.8524 -12.8524 -11.1281 -11.1280 -9.7412 -9.7390 -9.1422 -9.1381 -8.7271 -8.7200 -2.9650 -2.9649 -2.1348 -2.1310 -1.1861 -1.1853 -0.9385 -0.9372 -0.7287 -0.7239 -0.4812 -0.4715 1.0698 1.0747 1.0834 1.0876 1.7331 1.7350 2.1474 2.1486 2.5545 2.5579 2.6654 2.6661 3.2829 3.2854 3.6054 3.6106 3.9314 3.9336 4.3660 4.3676 4.8026 4.8046 4.8176 4.8235 12.1293 12.1394 12.2744 12.2748 12.7322 12.7328 13.2003 13.2035 13.8180 13.8183 k =-0.3449 0.5597 0.2285 ( 4272 PWs) bands (ev): -13.0665 -13.0664 -12.8552 -12.8552 -11.1023 -11.1022 -9.7272 -9.7252 -9.1927 -9.1887 -8.7493 -8.7424 -2.9118 -2.9115 -2.1562 -2.1526 -1.2044 -1.2037 -0.9975 -0.9965 -0.6870 -0.6823 -0.3956 -0.3858 1.0828 1.0871 1.0979 1.1024 1.6925 1.6936 2.1391 2.1404 2.5269 2.5291 2.6720 2.6730 3.3096 3.3119 3.6004 3.6054 3.9470 3.9494 4.3632 4.3648 4.7862 4.7881 4.8082 4.8139 12.1257 12.1359 12.2386 12.2389 12.7024 12.7029 13.2211 13.2250 13.7929 13.7931 k =-0.3449 0.5597 0.2448 ( 4274 PWs) bands (ev): -13.0614 -13.0613 -12.8582 -12.8582 -11.0746 -11.0746 -9.7123 -9.7104 -9.2451 -9.2413 -8.7727 -8.7661 -2.8569 -2.8564 -2.1744 -2.1711 -1.2247 -1.2239 -1.0570 -1.0563 -0.6417 -0.6373 -0.3099 -0.3002 1.0936 1.0973 1.1134 1.1181 1.6505 1.6507 2.1318 2.1331 2.4965 2.4974 2.6786 2.6799 3.3361 3.3382 3.5956 3.6005 3.9632 3.9658 4.3607 4.3622 4.7690 4.7708 4.7976 4.8032 12.1267 12.1369 12.2022 12.2022 12.6787 12.6792 13.2414 13.2460 13.7631 13.7634 k =-0.3449 0.5597 0.2611 ( 4271 PWs) bands (ev): -13.0561 -13.0559 -12.8615 -12.8614 -11.0451 -11.0451 -9.6963 -9.6945 -9.2994 -9.2957 -8.7972 -8.7908 -2.8007 -2.8001 -2.1894 -2.1863 -1.2467 -1.2460 -1.1168 -1.1163 -0.5930 -0.5887 -0.2246 -0.2149 1.1022 1.1053 1.1299 1.1347 1.6066 1.6071 2.1257 2.1271 2.4629 2.4633 2.6846 2.6861 3.3622 3.3642 3.5912 3.5959 3.9799 3.9827 4.3585 4.3600 4.7510 4.7527 4.7857 4.7911 12.1325 12.1426 12.1660 12.1663 12.6610 12.6615 13.2607 13.2659 13.7282 13.7284 k =-0.3449 0.5597 0.2774 ( 4267 PWs) bands (ev): -13.0505 -13.0503 -12.8649 -12.8649 -11.0139 -11.0138 -9.6794 -9.6778 -9.3551 -9.3516 -8.8227 -8.8166 -2.7434 -2.7427 -2.2011 -2.1982 -1.2705 -1.2698 -1.1764 -1.1762 -0.5409 -0.5369 -0.1399 -0.1302 1.1084 1.1109 1.1471 1.1521 1.5615 1.5626 2.1213 2.1229 2.4258 2.4274 2.6896 2.6913 3.3876 3.3894 3.5873 3.5918 3.9972 4.0001 4.3567 4.3581 4.7323 4.7338 4.7724 4.7777 12.1311 12.1314 12.1432 12.1537 12.6488 12.6493 13.2783 13.2841 13.6872 13.6876 k =-0.3449 0.5597 0.2938 ( 4267 PWs) bands (ev): -13.0447 -13.0446 -12.8686 -12.8685 -10.9809 -10.9808 -9.6615 -9.6600 -9.4122 -9.4088 -8.8491 -8.8433 -2.6855 -2.6847 -2.2096 -2.2069 -1.2960 -1.2954 -1.2358 -1.2357 -0.4856 -0.4819 -0.0562 -0.0467 1.1123 1.1142 1.1648 1.1698 1.5157 1.5174 2.1190 2.1207 2.3862 2.3890 2.6931 2.6950 3.4119 3.4137 3.5840 3.5883 4.0152 4.0182 4.3553 4.3568 4.7131 4.7145 4.7577 4.7629 12.0992 12.0998 12.1585 12.1689 12.6415 12.6421 13.2932 13.2997 13.6395 13.6402 k =-0.3449 0.5597 0.3101 ( 4267 PWs) bands (ev): -13.0387 -13.0386 -12.8724 -12.8724 -10.9462 -10.9460 -9.6427 -9.6413 -9.4702 -9.4671 -8.8763 -8.8708 -2.6271 -2.6262 -2.2149 -2.2125 -1.3233 -1.3226 -1.2947 -1.2946 -0.4272 -0.4238 0.0260 0.0355 1.1137 1.1150 1.1825 1.1874 1.4701 1.4720 2.1190 2.1208 2.3442 2.3481 2.6947 2.6968 3.4350 3.4367 3.5813 3.5854 4.0339 4.0371 4.3546 4.3560 4.6934 4.6946 4.7417 4.7467 12.0709 12.0718 12.1785 12.1890 12.6385 12.6390 13.3046 13.3117 13.5845 13.5857 k =-0.3449 0.5597 0.3264 ( 4263 PWs) bands (ev): -13.0326 -13.0325 -12.8765 -12.8765 -10.9097 -10.9095 -9.6229 -9.6217 -9.5292 -9.5262 -8.9043 -8.8991 -2.5686 -2.5675 -2.2170 -2.2149 -1.3542 -1.3532 -1.3513 -1.3505 -0.3660 -0.3630 0.1065 0.1158 1.1127 1.1135 1.1988 1.2032 1.4260 1.4278 2.1217 2.1236 2.3000 2.3050 2.6940 2.6962 3.4565 3.4580 3.5793 3.5833 4.0535 4.0568 4.3545 4.3559 4.6735 4.6745 4.7242 4.7291 12.0471 12.0483 12.2032 12.2136 12.6389 12.6395 13.3111 13.3188 13.5223 13.5240 k =-0.3449 0.5597 0.3427 ( 4268 PWs) bands (ev): -13.0263 -13.0262 -12.8808 -12.8808 -10.8716 -10.8713 -9.6022 -9.6012 -9.5887 -9.5859 -8.9329 -8.9280 -2.5100 -2.5089 -2.2160 -2.2141 -1.4104 -1.4102 -1.3823 -1.3819 -0.3020 -0.2994 0.1849 0.1940 1.1094 1.1096 1.2105 1.2138 1.3871 1.3879 2.1273 2.1294 2.2539 2.2600 2.6907 2.6929 3.4761 3.4775 3.5783 3.5820 4.0741 4.0775 4.3551 4.3565 4.6533 4.6542 4.7054 4.7101 12.0285 12.0301 12.2322 12.2426 12.6420 12.6426 13.3114 13.3196 13.4539 13.4562 k =-0.3449 0.5597 0.3590 ( 4272 PWs) bands (ev): -13.0199 -13.0198 -12.8853 -12.8853 -10.8319 -10.8315 -9.6489 -9.6462 -9.5805 -9.5796 -8.9621 -8.9574 -2.4518 -2.4506 -2.2119 -2.2102 -1.4666 -1.4663 -1.4143 -1.4140 -0.2356 -0.2335 0.2607 0.2697 1.1033 1.1036 1.2106 1.2113 1.3595 1.3611 2.1360 2.1382 2.2062 2.2132 2.6844 2.6867 3.4936 3.4950 3.5782 3.5816 4.0957 4.0992 4.3566 4.3580 4.6332 4.6338 4.6852 4.6898 12.0157 12.0176 12.2654 12.2758 12.6468 12.6474 13.3046 13.3132 13.3813 13.3842 k =-0.3449 0.5597 0.3754 ( 4271 PWs) bands (ev): -13.0134 -13.0133 -12.8900 -12.8900 -10.7905 -10.7901 -9.7093 -9.7067 -9.5581 -9.5573 -8.9917 -8.9873 -2.3939 -2.3926 -2.2047 -2.2033 -1.5216 -1.5212 -1.4478 -1.4475 -0.1670 -0.1653 0.3338 0.3426 1.0946 1.0954 1.1877 1.1902 1.3514 1.3560 2.1479 2.1499 2.1575 2.1651 2.6750 2.6774 3.5089 3.5102 3.5790 3.5821 4.1185 4.1219 4.3589 4.3603 4.6131 4.6135 4.6637 4.6681 12.0092 12.0113 12.3026 12.3129 12.6517 12.6523 13.2897 13.2985 13.3076 13.3111 k =-0.3449 0.5597 0.3917 ( 4273 PWs) bands (ev): -13.0068 -13.0067 -12.8949 -12.8949 -10.7476 -10.7471 -9.7698 -9.7673 -9.5347 -9.5342 -9.0216 -9.0176 -2.3365 -2.3353 -2.1946 -2.1934 -1.5753 -1.5748 -1.4828 -1.4826 -0.0964 -0.0952 0.4038 0.4123 1.0836 1.0849 1.1466 1.1509 1.3618 1.3684 2.1070 2.1157 2.1633 2.1657 2.6623 2.6647 3.5219 3.5232 3.5806 3.5834 4.1423 4.1458 4.3622 4.3636 4.5932 4.5935 4.6409 4.6452 12.0091 12.0115 12.3435 12.3538 12.6548 12.6552 13.2363 13.2400 13.2669 13.2759 k =-0.3449 0.5597 0.4080 ( 4273 PWs) bands (ev): -13.0002 -13.0000 -12.9001 -12.9000 -10.7031 -10.7025 -9.8302 -9.8280 -9.5106 -9.5102 -9.0519 -9.0481 -2.2799 -2.2786 -2.1815 -2.1805 -1.6275 -1.6270 -1.5192 -1.5192 -0.0241 -0.0234 0.4705 0.4787 1.0702 1.0719 1.0958 1.1009 1.3827 1.3903 2.0564 2.0657 2.1820 2.1844 2.6463 2.6487 3.5328 3.5342 3.5828 3.5852 4.1673 4.1708 4.3665 4.3678 4.5736 4.5737 4.6170 4.6212 12.0158 12.0185 12.3878 12.3980 12.6531 12.6533 13.1721 13.1759 13.2361 13.2451 k =-0.3449 0.5597 0.4243 ( 4277 PWs) bands (ev): -12.9935 -12.9933 -12.9054 -12.9053 -10.6571 -10.6565 -9.8906 -9.8884 -9.4856 -9.4855 -9.0823 -9.0788 -2.2240 -2.2227 -2.1655 -2.1647 -1.6781 -1.6775 -1.5571 -1.5571 0.0496 0.0497 0.5336 0.5415 1.0392 1.0449 1.0545 1.0568 1.4092 1.4174 2.0054 2.0153 2.2038 2.2063 2.6270 2.6294 3.5420 3.5434 3.5851 3.5873 4.1934 4.1969 4.3718 4.3731 4.5544 4.5544 4.5920 4.5961 12.0293 12.0322 12.4353 12.4453 12.6427 12.6429 13.1199 13.1234 13.1984 13.2073 k =-0.3449 0.5597 0.4406 ( 4279 PWs) bands (ev): -12.9867 -12.9866 -12.9108 -12.9107 -10.6097 -10.6090 -9.9506 -9.9486 -9.4600 -9.4599 -9.1128 -9.1097 -2.1690 -2.1678 -2.1467 -2.1461 -1.7269 -1.7264 -1.5965 -1.5964 0.1239 0.1244 0.5931 0.6006 0.9794 0.9852 1.0362 1.0389 1.4392 1.4479 1.9545 1.9649 2.2287 2.2312 2.6046 2.6070 3.5498 3.5512 3.5873 3.5891 4.2204 4.2239 4.3781 4.3794 4.5356 4.5358 4.5660 4.5700 12.0496 12.0527 12.4854 12.4954 12.6197 12.6205 13.0841 13.0872 13.1548 13.1637 k =-0.3449 0.5597 0.4570 ( 4281 PWs) bands (ev): -12.9800 -12.9799 -12.9165 -12.9164 -10.5609 -10.5601 -10.0102 -10.0083 -9.4338 -9.4335 -9.1433 -9.1405 -2.1253 -2.1249 -2.1148 -2.1137 -1.7740 -1.7734 -1.6373 -1.6371 0.1988 0.1999 0.6487 0.6560 0.9167 0.9225 1.0156 1.0187 1.4719 1.4811 1.9041 1.9147 2.2563 2.2588 2.5791 2.5816 3.5567 3.5581 3.5888 3.5904 4.2483 4.2518 4.3856 4.3868 4.5174 4.5178 4.5390 4.5430 12.0767 12.0799 12.5377 12.5479 12.5833 12.5845 13.0669 13.0695 13.1064 13.1152 k =-0.3449 0.5597 0.4733 ( 4284 PWs) bands (ev): -12.9733 -12.9732 -12.9223 -12.9222 -10.5108 -10.5099 -10.0693 -10.0675 -9.4069 -9.4064 -9.1738 -9.1712 -2.1010 -2.1007 -2.0619 -2.0608 -1.8191 -1.8186 -1.6794 -1.6791 0.2740 0.2757 0.7007 0.7075 0.8517 0.8572 0.9924 0.9959 1.5070 1.5166 1.8543 1.8651 2.2863 2.2888 2.5511 2.5535 3.5629 3.5642 3.5894 3.5909 4.2769 4.2803 4.3941 4.3952 4.4998 4.5005 4.5114 4.5154 12.1102 12.1136 12.5341 12.5368 12.5933 12.6025 13.0534 13.0625 13.0676 13.0693 k =-0.3449 0.5597 0.4896 ( 4285 PWs) bands (ev): -12.9666 -12.9665 -12.9283 -12.9282 -10.4594 -10.4584 -10.1277 -10.1260 -9.3794 -9.3786 -9.2042 -9.2019 -2.0741 -2.0740 -2.0100 -2.0089 -1.8622 -1.8618 -1.7229 -1.7224 0.3493 0.3516 0.7488 0.7552 0.7846 0.7898 0.9666 0.9706 1.5441 1.5541 1.8055 1.8164 2.3183 2.3208 2.5207 2.5231 3.5685 3.5698 3.5890 3.5904 4.3060 4.3094 4.4038 4.4048 4.4822 4.4828 4.4842 4.4879 12.1499 12.1534 12.4784 12.4814 12.6495 12.6588 12.9989 13.0078 13.0807 13.0821 k =-0.3449 0.5597 0.5059 ( 4281 PWs) bands (ev): -12.9600 -12.9599 -12.9344 -12.9343 -10.4067 -10.4057 -10.1853 -10.1838 -9.3513 -9.3503 -9.2343 -9.2322 -2.0447 -2.0447 -1.9592 -1.9582 -1.9032 -1.9028 -1.7676 -1.7671 0.4243 0.4272 0.7152 0.7202 0.7935 0.7995 0.9380 0.9424 1.5833 1.5935 1.7579 1.7689 2.3517 2.3541 2.4885 2.4909 3.5736 3.5748 3.5877 3.5889 4.3355 4.3389 4.4145 4.4154 4.4541 4.4570 4.4683 4.4684 12.1953 12.1989 12.4190 12.4222 12.7072 12.7164 12.9419 12.9508 13.1042 13.1053 k =-0.3449 0.5597 0.5222 ( 4279 PWs) bands (ev): -12.9535 -12.9533 -12.9406 -12.9405 -10.3529 -10.3518 -10.2422 -10.2408 -9.3227 -9.3214 -9.2641 -9.2624 -2.0129 -2.0128 -1.9422 -1.9419 -1.9093 -1.9085 -1.8137 -1.8130 0.4987 0.5022 0.6444 0.6490 0.8345 0.8401 0.9066 0.9114 1.6243 1.6348 1.7117 1.7226 2.3860 2.3884 2.4550 2.4574 3.5782 3.5794 3.5853 3.5865 4.3652 4.3686 4.4237 4.4260 4.4281 4.4282 4.4532 4.4537 12.2459 12.2495 12.3590 12.3625 12.7658 12.7749 12.8837 12.8926 13.1348 13.1357 k =-0.3449 0.5597 0.5386 ( 4278 PWs) bands (ev): -12.9470 -12.9470 -12.9469 -12.9469 -10.2981 -10.2981 -10.2968 -10.2968 -9.2936 -9.2936 -9.2921 -9.2921 -1.9787 -1.9787 -1.9785 -1.9785 -1.8609 -1.8609 -1.8602 -1.8602 0.5722 0.5722 0.5762 0.5762 0.8721 0.8721 0.8774 0.8774 1.6672 1.6672 1.6779 1.6779 2.4206 2.4206 2.4230 2.4230 3.5821 3.5821 3.5833 3.5833 4.3949 4.3949 4.3983 4.3983 4.4392 4.4392 4.4400 4.4400 12.3008 12.3008 12.3044 12.3044 12.8248 12.8248 12.8338 12.8338 13.1707 13.1707 k =-0.3449 0.5597 0.5386 ( 4278 PWs) bands (ev): -12.9470 -12.9470 -12.9469 -12.9469 -10.2981 -10.2981 -10.2968 -10.2968 -9.2936 -9.2936 -9.2921 -9.2921 -1.9787 -1.9787 -1.9785 -1.9785 -1.8609 -1.8609 -1.8602 -1.8602 0.5722 0.5722 0.5762 0.5762 0.8721 0.8721 0.8774 0.8774 1.6672 1.6672 1.6779 1.6779 2.4206 2.4206 2.4230 2.4230 3.5821 3.5821 3.5833 3.5833 4.3949 4.3949 4.3983 4.3983 4.4392 4.4392 4.4400 4.4400 12.3008 12.3008 12.3044 12.3044 12.8248 12.8248 12.8338 12.8338 13.1707 13.1707 k =-0.3536 0.5458 0.5386 ( 4282 PWs) bands (ev): -12.9435 -12.9435 -12.9434 -12.9434 -10.3267 -10.3267 -10.3254 -10.3254 -9.2627 -9.2627 -9.2612 -9.2612 -2.0484 -2.0484 -2.0483 -2.0483 -1.8171 -1.8171 -1.8163 -1.8163 0.5832 0.5832 0.5872 0.5872 0.8796 0.8796 0.8845 0.8845 1.6755 1.6755 1.6860 1.6860 2.4323 2.4323 2.4345 2.4345 3.5707 3.5707 3.5720 3.5720 4.3682 4.3682 4.3716 4.3716 4.4680 4.4680 4.4688 4.4688 12.2543 12.2543 12.2579 12.2579 12.8234 12.8234 12.8320 12.8320 13.2022 13.2022 k =-0.3622 0.5318 0.5386 ( 4290 PWs) bands (ev): -12.9402 -12.9402 -12.9401 -12.9401 -10.3538 -10.3538 -10.3527 -10.3527 -9.2324 -9.2324 -9.2310 -9.2310 -2.1161 -2.1161 -2.1160 -2.1160 -1.7754 -1.7754 -1.7747 -1.7747 0.5929 0.5929 0.5968 0.5968 0.8868 0.8868 0.8914 0.8914 1.6841 1.6841 1.6943 1.6943 2.4451 2.4451 2.4471 2.4471 3.5583 3.5583 3.5598 3.5598 4.3429 4.3429 4.3463 4.3463 4.4973 4.4973 4.4981 4.4981 12.2071 12.2071 12.2106 12.2106 12.8217 12.8217 12.8299 12.8299 13.2358 13.2359 k =-0.3708 0.5178 0.5386 ( 4282 PWs) bands (ev): -12.9370 -12.9370 -12.9369 -12.9369 -10.3795 -10.3795 -10.3784 -10.3784 -9.2029 -9.2029 -9.2015 -9.2015 -2.1813 -2.1813 -2.1813 -2.1813 -1.7361 -1.7361 -1.7354 -1.7354 0.6015 0.6015 0.6053 0.6053 0.8938 0.8938 0.8981 0.8981 1.6928 1.6928 1.7027 1.7027 2.4588 2.4588 2.4608 2.4608 3.5451 3.5451 3.5467 3.5467 4.3192 4.3192 4.3226 4.3226 4.5270 4.5270 4.5278 4.5278 12.1601 12.1601 12.1634 12.1634 12.8202 12.8202 12.8279 12.8279 13.2705 13.2705 k =-0.3794 0.5038 0.5386 ( 4290 PWs) bands (ev): -12.9341 -12.9341 -12.9340 -12.9340 -10.4036 -10.4036 -10.4026 -10.4026 -9.1743 -9.1743 -9.1730 -9.1730 -2.2440 -2.2440 -2.2438 -2.2438 -1.6992 -1.6992 -1.6984 -1.6984 0.6090 0.6090 0.6127 0.6127 0.9006 0.9006 0.9045 0.9045 1.7014 1.7014 1.7109 1.7109 2.4734 2.4734 2.4752 2.4752 3.5311 3.5311 3.5327 3.5327 4.2971 4.2971 4.3004 4.3004 4.5567 4.5567 4.5575 4.5575 12.1141 12.1141 12.1173 12.1173 12.8194 12.8194 12.8267 12.8267 13.3054 13.3054 k =-0.3880 0.4898 0.5386 ( 4284 PWs) bands (ev): -12.9313 -12.9313 -12.9312 -12.9312 -10.4262 -10.4262 -10.4253 -10.4253 -9.1469 -9.1469 -9.1456 -9.1456 -2.3036 -2.3036 -2.3034 -2.3034 -1.6647 -1.6647 -1.6639 -1.6639 0.6156 0.6156 0.6191 0.6191 0.9070 0.9070 0.9107 0.9107 1.7099 1.7099 1.7189 1.7189 2.4885 2.4885 2.4902 2.4902 3.5165 3.5165 3.5181 3.5181 4.2767 4.2767 4.2799 4.2799 4.5862 4.5862 4.5869 4.5869 12.0696 12.0696 12.0726 12.0726 12.8198 12.8198 12.8266 12.8266 13.3398 13.3399 k =-0.3966 0.4759 0.5386 ( 4284 PWs) bands (ev): -12.9288 -12.9288 -12.9287 -12.9287 -10.4473 -10.4473 -10.4464 -10.4464 -9.1207 -9.1207 -9.1195 -9.1195 -2.3600 -2.3600 -2.3598 -2.3598 -1.6326 -1.6326 -1.6319 -1.6319 0.6214 0.6214 0.6247 0.6247 0.9132 0.9132 0.9165 0.9165 1.7181 1.7181 1.7265 1.7265 2.5041 2.5041 2.5056 2.5056 3.5014 3.5014 3.5030 3.5030 4.2580 4.2580 4.2611 4.2611 4.6151 4.6151 4.6158 4.6158 12.0272 12.0272 12.0300 12.0300 12.8217 12.8217 12.8280 12.8280 13.3733 13.3733 k =-0.4052 0.4619 0.5386 ( 4280 PWs) bands (ev): -12.9264 -12.9264 -12.9263 -12.9263 -10.4667 -10.4667 -10.4659 -10.4659 -9.0959 -9.0959 -9.0947 -9.0947 -2.4130 -2.4130 -2.4128 -2.4128 -1.6030 -1.6030 -1.6023 -1.6023 0.6265 0.6265 0.6296 0.6296 0.9190 0.9190 0.9220 0.9220 1.7258 1.7258 1.7337 1.7337 2.5198 2.5198 2.5211 2.5211 3.4861 3.4861 3.4877 3.4877 4.2410 4.2410 4.2439 4.2439 4.6432 4.6432 4.6438 4.6438 11.9871 11.9871 11.9897 11.9897 12.8253 12.8253 12.8312 12.8312 13.4054 13.4054 k =-0.4139 0.4479 0.5386 ( 4276 PWs) bands (ev): -12.9242 -12.9242 -12.9242 -12.9242 -10.4845 -10.4845 -10.4837 -10.4837 -9.0726 -9.0726 -9.0715 -9.0715 -2.4623 -2.4623 -2.4620 -2.4620 -1.5759 -1.5759 -1.5752 -1.5752 0.6309 0.6309 0.6338 0.6338 0.9244 0.9244 0.9272 0.9272 1.7330 1.7330 1.7404 1.7404 2.5354 2.5354 2.5367 2.5367 3.4707 3.4707 3.4722 3.4722 4.2256 4.2256 4.2284 4.2284 4.6701 4.6701 4.6707 4.6707 11.9497 11.9497 11.9521 11.9521 12.8307 12.8307 12.8362 12.8362 13.4356 13.4356 k =-0.4225 0.4339 0.5386 ( 4280 PWs) bands (ev): -12.9223 -12.9223 -12.9222 -12.9222 -10.5006 -10.5006 -10.5000 -10.5000 -9.0510 -9.0510 -9.0500 -9.0500 -2.5076 -2.5076 -2.5073 -2.5073 -1.5513 -1.5513 -1.5507 -1.5507 0.6348 0.6348 0.6374 0.6374 0.9294 0.9294 0.9319 0.9319 1.7397 1.7397 1.7464 1.7464 2.5508 2.5508 2.5519 2.5519 3.4555 3.4555 3.4569 3.4569 4.2119 4.2119 4.2145 4.2145 4.6956 4.6956 4.6962 4.6962 11.9153 11.9153 11.9174 11.9174 12.8381 12.8381 12.8430 12.8430 13.4638 13.4638 k =-0.4311 0.4200 0.5386 ( 4276 PWs) bands (ev): -12.9205 -12.9205 -12.9205 -12.9205 -10.5151 -10.5151 -10.5145 -10.5145 -9.0312 -9.0312 -9.0304 -9.0304 -2.5487 -2.5487 -2.5485 -2.5485 -1.5293 -1.5293 -1.5287 -1.5287 0.6381 0.6381 0.6405 0.6405 0.9340 0.9340 0.9362 0.9362 1.7458 1.7458 1.7518 1.7518 2.5656 2.5656 2.5666 2.5666 3.4407 3.4407 3.4420 3.4420 4.1998 4.1998 4.2021 4.2021 4.7193 4.7193 4.7198 4.7198 11.8839 11.8839 11.8859 11.8859 12.8471 12.8471 12.8515 12.8515 13.4896 13.4896 k =-0.4397 0.4060 0.5386 ( 4280 PWs) bands (ev): -12.9190 -12.9190 -12.9189 -12.9189 -10.5280 -10.5280 -10.5274 -10.5274 -9.0134 -9.0134 -9.0127 -9.0127 -2.5856 -2.5856 -2.5853 -2.5853 -1.5098 -1.5098 -1.5093 -1.5093 0.6410 0.6410 0.6431 0.6431 0.9381 0.9381 0.9401 0.9401 1.7512 1.7512 1.7566 1.7566 2.5796 2.5796 2.5804 2.5804 3.4267 3.4267 3.4279 3.4279 4.1893 4.1893 4.1914 4.1914 4.7410 4.7410 4.7415 4.7415 11.8560 11.8560 11.8577 11.8577 12.8575 12.8575 12.8615 12.8615 13.5128 13.5129 k =-0.4483 0.3920 0.5386 ( 4280 PWs) bands (ev): -12.9176 -12.9176 -12.9176 -12.9176 -10.5391 -10.5391 -10.5386 -10.5386 -8.9977 -8.9977 -8.9971 -8.9971 -2.6179 -2.6179 -2.6176 -2.6176 -1.4929 -1.4929 -1.4924 -1.4924 0.6434 0.6434 0.6452 0.6452 0.9418 0.9418 0.9435 0.9435 1.7560 1.7560 1.7607 1.7607 2.5925 2.5925 2.5932 2.5932 3.4138 3.4138 3.4148 3.4148 4.1803 4.1803 4.1821 4.1821 4.7604 4.7604 4.7608 4.7608 11.8314 11.8314 11.8329 11.8329 12.8690 12.8690 12.8724 12.8724 13.5333 13.5333 k =-0.4569 0.3780 0.5386 ( 4284 PWs) bands (ev): -12.9165 -12.9165 -12.9164 -12.9164 -10.5485 -10.5485 -10.5481 -10.5481 -8.9842 -8.9842 -8.9837 -8.9837 -2.6455 -2.6455 -2.6453 -2.6453 -1.4786 -1.4786 -1.4782 -1.4782 0.6455 0.6455 0.6470 0.6470 0.9450 0.9450 0.9463 0.9463 1.7602 1.7602 1.7641 1.7641 2.6040 2.6040 2.6046 2.6046 3.4021 3.4021 3.4030 3.4030 4.1728 4.1728 4.1743 4.1743 4.7773 4.7773 4.7776 4.7776 11.8105 11.8105 11.8118 11.8118 12.8809 12.8809 12.8838 12.8838 13.5509 13.5509 k =-0.4655 0.3640 0.5386 ( 4284 PWs) bands (ev): -12.9155 -12.9155 -12.9155 -12.9155 -10.5563 -10.5563 -10.5559 -10.5559 -8.9730 -8.9730 -8.9726 -8.9726 -2.6682 -2.6682 -2.6681 -2.6681 -1.4668 -1.4668 -1.4665 -1.4665 0.6472 0.6472 0.6484 0.6484 0.9476 0.9476 0.9487 0.9487 1.7636 1.7636 1.7668 1.7668 2.6140 2.6140 2.6144 2.6144 3.3921 3.3921 3.3929 3.3929 4.1667 4.1667 4.1679 4.1679 4.7914 4.7914 4.7916 4.7916 11.7933 11.7933 11.7943 11.7943 12.8924 12.8924 12.8948 12.8948 13.5654 13.5654 k =-0.4742 0.3501 0.5386 ( 4280 PWs) bands (ev): -12.9148 -12.9148 -12.9148 -12.9148 -10.5623 -10.5623 -10.5620 -10.5620 -8.9642 -8.9642 -8.9639 -8.9639 -2.6861 -2.6861 -2.6859 -2.6859 -1.4577 -1.4577 -1.4575 -1.4575 0.6485 0.6485 0.6494 0.6494 0.9497 0.9497 0.9505 0.9505 1.7664 1.7664 1.7688 1.7688 2.6220 2.6220 2.6223 2.6223 3.3840 3.3840 3.3846 3.3846 4.1621 4.1621 4.1630 4.1630 4.8026 4.8026 4.8028 4.8028 11.7798 11.7798 11.7806 11.7806 12.9028 12.9028 12.9046 12.9046 13.5768 13.5768 k =-0.4828 0.3361 0.5386 ( 4288 PWs) bands (ev): -12.9143 -12.9143 -12.9143 -12.9143 -10.5666 -10.5666 -10.5664 -10.5664 -8.9579 -8.9579 -8.9576 -8.9576 -2.6989 -2.6989 -2.6988 -2.6988 -1.4511 -1.4511 -1.4510 -1.4510 0.6495 0.6495 0.6501 0.6501 0.9513 0.9513 0.9518 0.9518 1.7685 1.7685 1.7701 1.7701 2.6279 2.6279 2.6281 2.6281 3.3781 3.3781 3.3785 3.3785 4.1588 4.1588 4.1594 4.1594 4.8107 4.8107 4.8108 4.8108 11.7702 11.7702 11.7707 11.7707 12.9111 12.9111 12.9123 12.9123 13.5850 13.5850 k =-0.4914 0.3221 0.5386 ( 4288 PWs) bands (ev): -12.9140 -12.9140 -12.9140 -12.9140 -10.5691 -10.5691 -10.5690 -10.5690 -8.9540 -8.9540 -8.9539 -8.9539 -2.7066 -2.7066 -2.7065 -2.7065 -1.4472 -1.4472 -1.4471 -1.4471 0.6502 0.6502 0.6505 0.6505 0.9523 0.9523 0.9525 0.9525 1.7699 1.7699 1.7707 1.7707 2.6316 2.6316 2.6317 2.6317 3.3745 3.3745 3.3747 3.3747 4.1569 4.1569 4.1572 4.1572 4.8156 4.8156 4.8156 4.8156 11.7645 11.7645 11.7647 11.7647 12.9166 12.9166 12.9172 12.9172 13.5899 13.5899 k =-0.5000 0.3081 0.5386 ( 4288 PWs) bands (ev): -12.9139 -12.9139 -12.9139 -12.9139 -10.5699 -10.5699 -10.5699 -10.5699 -8.9527 -8.9527 -8.9527 -8.9527 -2.7091 -2.7091 -2.7091 -2.7091 -1.4459 -1.4459 -1.4459 -1.4459 0.6505 0.6505 0.6505 0.6505 0.9527 0.9527 0.9527 0.9527 1.7706 1.7706 1.7706 1.7706 2.6328 2.6328 2.6328 2.6328 3.3734 3.3734 3.3734 3.3734 4.1564 4.1564 4.1564 4.1564 4.8172 4.8172 4.8172 4.8172 11.7627 11.7627 11.7627 11.7627 12.9187 12.9187 12.9187 12.9187 13.5915 13.5915 k =-0.5000 0.3081 0.5386 ( 4288 PWs) bands (ev): -12.9139 -12.9139 -12.9139 -12.9139 -10.5699 -10.5699 -10.5699 -10.5699 -8.9527 -8.9527 -8.9527 -8.9527 -2.7091 -2.7091 -2.7091 -2.7091 -1.4459 -1.4459 -1.4459 -1.4459 0.6505 0.6505 0.6505 0.6505 0.9527 0.9527 0.9527 0.9527 1.7706 1.7706 1.7706 1.7706 2.6328 2.6328 2.6328 2.6328 3.3734 3.3734 3.3734 3.3734 4.1564 4.1564 4.1564 4.1564 4.8172 4.8172 4.8172 4.8172 11.7627 11.7627 11.7627 11.7627 12.9187 12.9187 12.9187 12.9187 13.5915 13.5915 k =-0.5000 0.3081 0.5222 ( 4288 PWs) bands (ev): -12.9190 -12.9190 -12.9089 -12.9089 -10.6274 -10.6274 -10.5113 -10.5113 -8.9580 -8.9580 -8.9475 -8.9475 -2.7132 -2.7132 -2.7019 -2.7019 -1.4998 -1.4998 -1.3952 -1.3952 0.5686 0.5686 0.7335 0.7335 0.9478 0.9478 0.9551 0.9551 1.7411 1.7411 1.8022 1.8022 2.6295 2.6295 2.6335 2.6335 3.3579 3.3579 3.3872 3.3872 4.1314 4.1314 4.1821 4.1821 4.8167 4.8167 4.8187 4.8187 11.7606 11.7606 11.7724 11.7724 12.9109 12.9109 12.9231 12.9231 13.5457 13.5457 k =-0.5000 0.3081 0.5059 ( 4284 PWs) bands (ev): -12.9241 -12.9241 -12.9039 -12.9039 -10.6837 -10.6837 -10.4517 -10.4517 -8.9635 -8.9635 -8.9425 -8.9425 -2.7141 -2.7141 -2.6915 -2.6915 -1.5571 -1.5571 -1.3478 -1.3478 0.4885 0.4885 0.8167 0.8167 0.9403 0.9403 0.9552 0.9552 1.7143 1.7143 1.8354 1.8354 2.6234 2.6234 2.6317 2.6317 3.3408 3.3408 3.3996 3.3996 4.1072 4.1072 4.2082 4.2082 4.8171 4.8171 4.8210 4.8210 11.7659 11.7659 11.7901 11.7901 12.9004 12.9004 12.9237 12.9237 13.4999 13.4999 k =-0.5000 0.3081 0.4896 ( 4288 PWs) bands (ev): -12.9293 -12.9293 -12.8991 -12.8991 -10.7387 -10.7387 -10.3911 -10.3911 -8.9691 -8.9691 -8.9377 -8.9377 -2.7118 -2.7118 -2.6780 -2.6780 -1.6178 -1.6178 -1.3035 -1.3035 0.4109 0.4109 0.8986 0.8986 0.9301 0.9301 0.9530 0.9530 1.6911 1.6911 1.8698 1.8698 2.6143 2.6143 2.6276 2.6276 3.3220 3.3220 3.4106 3.4106 4.0840 4.0840 4.2344 4.2344 4.8186 4.8186 4.8242 4.8242 11.7784 11.7784 11.8157 11.8157 12.8877 12.8877 12.9201 12.9201 13.4546 13.4546 k =-0.5000 0.3081 0.4733 ( 4284 PWs) bands (ev): -12.9345 -12.9345 -12.8943 -12.8943 -10.7924 -10.7924 -10.3296 -10.3296 -8.9748 -8.9748 -8.9331 -8.9331 -2.7062 -2.7062 -2.6614 -2.6614 -1.6818 -1.6818 -1.2621 -1.2621 0.3361 0.3361 0.9168 0.9168 0.9484 0.9484 0.9778 0.9778 1.6732 1.6732 1.9051 1.9051 2.6024 2.6024 2.6216 2.6216 3.3017 3.3017 3.4206 3.4206 4.0620 4.0620 4.2606 4.2606 4.8212 4.8212 4.8281 4.8281 11.7976 11.7976 11.8493 11.8493 12.8734 12.8734 12.9119 12.9119 13.4105 13.4105 k =-0.5000 0.3081 0.4570 ( 4290 PWs) bands (ev): -12.9398 -12.9398 -12.8897 -12.8897 -10.8446 -10.8446 -10.2674 -10.2674 -8.9807 -8.9807 -8.9287 -8.9287 -2.6976 -2.6976 -2.6417 -2.6417 -1.7492 -1.7492 -1.2235 -1.2235 0.2646 0.2646 0.9006 0.9006 0.9417 0.9417 1.0514 1.0514 1.6624 1.6624 1.9411 1.9411 2.5875 2.5875 2.6140 2.6140 3.2800 3.2800 3.4295 3.4295 4.0411 4.0411 4.2863 4.2863 4.8248 4.8248 4.8328 4.8328 11.8228 11.8228 11.8908 11.8908 12.8579 12.8579 12.8990 12.8990 13.3681 13.3681 k =-0.5000 0.3081 0.4406 ( 4288 PWs) bands (ev): -12.9450 -12.9450 -12.8852 -12.8852 -10.8955 -10.8955 -10.2045 -10.2045 -8.9866 -8.9866 -8.9245 -8.9245 -2.6857 -2.6857 -2.6190 -2.6190 -1.8197 -1.8197 -1.1875 -1.1875 0.1965 0.1965 0.8810 0.8810 0.9328 0.9328 1.1161 1.1161 1.6620 1.6620 1.9776 1.9776 2.5698 2.5698 2.6052 2.6052 3.2571 3.2571 3.4377 3.4377 4.0213 4.0213 4.3114 4.3114 4.8296 4.8296 4.8381 4.8381 11.8535 11.8535 11.9401 11.9401 12.8417 12.8417 12.8816 12.8816 13.3281 13.3281 k =-0.5000 0.3081 0.4243 ( 4292 PWs) bands (ev): -12.9503 -12.9503 -12.8808 -12.8808 -10.9448 -10.9448 -10.1410 -10.1410 -8.9925 -8.9925 -8.9205 -8.9205 -2.6708 -2.6708 -2.5935 -2.5935 -1.8931 -1.8931 -1.1539 -1.1539 0.1321 0.1321 0.8579 0.8579 0.9214 0.9214 1.1681 1.1681 1.6752 1.6752 2.0145 2.0145 2.5494 2.5494 2.5956 2.5956 3.2334 3.2334 3.4452 3.4452 4.0026 4.0026 4.3356 4.3356 4.8355 4.8355 4.8439 4.8439 11.8888 11.8888 11.9970 11.9970 12.8253 12.8253 12.8601 12.8601 13.2913 13.2913 k =-0.5000 0.3081 0.4080 ( 4294 PWs) bands (ev): -12.9555 -12.9555 -12.8766 -12.8766 -10.9926 -10.9926 -10.0771 -10.0771 -8.9985 -8.9985 -8.9167 -8.9167 -2.6527 -2.6527 -2.5650 -2.5650 -1.9693 -1.9693 -1.1227 -1.1227 0.0713 0.0713 0.8311 0.8311 0.9077 0.9077 1.2045 1.2045 1.7048 1.7048 2.0515 2.0515 2.5265 2.5265 2.5857 2.5857 3.2092 3.2092 3.4521 3.4521 3.9849 3.9849 4.3588 4.3588 4.8426 4.8426 4.8503 4.8503 11.9278 11.9278 12.0612 12.0612 12.8089 12.8089 12.8349 12.8349 13.2584 13.2584 k =-0.5000 0.3081 0.3917 ( 4294 PWs) bands (ev): -12.9607 -12.9607 -12.8725 -12.8725 -11.0389 -11.0389 -10.0130 -10.0130 -9.0045 -9.0045 -8.9131 -8.9131 -2.6317 -2.6317 -2.5338 -2.5338 -2.0478 -2.0478 -1.0937 -1.0937 0.0142 0.0142 0.8005 0.8005 0.8915 0.8915 1.2250 1.2250 1.7506 1.7506 2.0885 2.0885 2.5013 2.5013 2.5758 2.5758 3.1848 3.1848 3.4586 3.4586 3.9680 3.9680 4.3807 4.3807 4.8509 4.8509 4.8572 4.8572 11.9695 11.9695 12.1324 12.1324 12.7929 12.7929 12.8067 12.8067 13.2304 13.2304 k =-0.5000 0.3081 0.3754 ( 4294 PWs) bands (ev): -12.9658 -12.9658 -12.8685 -12.8685 -11.0835 -11.0835 -9.9487 -9.9487 -9.0105 -9.0105 -8.9098 -8.9098 -2.6076 -2.6076 -2.4999 -2.4999 -2.1284 -2.1284 -1.0667 -1.0667 -0.0392 -0.0392 0.7660 0.7660 0.8726 0.8726 1.2321 1.2321 1.8096 1.8096 2.1255 2.1255 2.4742 2.4742 2.5664 2.5664 3.1606 3.1606 3.4647 3.4647 3.9518 3.9518 4.4013 4.4013 4.8603 4.8603 4.8644 4.8644 12.0125 12.0125 12.2103 12.2103 12.7743 12.7743 12.7794 12.7794 13.2082 13.2082 k =-0.5000 0.3081 0.3590 ( 4290 PWs) bands (ev): -12.9708 -12.9708 -12.8648 -12.8648 -11.1264 -11.1264 -9.8844 -9.8844 -9.0165 -9.0165 -8.9066 -8.9066 -2.5807 -2.5807 -2.4634 -2.4634 -2.2105 -2.2105 -1.0416 -1.0416 -0.0891 -0.0891 0.7276 0.7276 0.8510 0.8510 1.2296 1.2296 1.8777 1.8777 2.1621 2.1621 2.4456 2.4456 2.5577 2.5577 3.1368 3.1368 3.4703 3.4703 3.9363 3.9363 4.4204 4.4204 4.8707 4.8707 4.8722 4.8722 12.0556 12.0556 12.2944 12.2944 12.7430 12.7430 12.7641 12.7641 13.1930 13.1930 k =-0.5000 0.3081 0.3427 ( 4290 PWs) bands (ev): -12.9758 -12.9758 -12.8611 -12.8611 -11.1677 -11.1677 -9.8202 -9.8202 -9.0224 -9.0224 -8.9037 -8.9037 -2.5509 -2.5509 -2.4244 -2.4244 -2.2938 -2.2938 -1.0184 -1.0184 -0.1355 -0.1355 0.6853 0.6853 0.8265 0.8265 1.2208 1.2208 1.9513 1.9513 2.1984 2.1984 2.4158 2.4158 2.5502 2.5502 3.1136 3.1136 3.4756 3.4756 3.9214 3.9214 4.4380 4.4380 4.8795 4.8795 4.8830 4.8830 12.0973 12.0973 12.3843 12.3843 12.7095 12.7095 12.7510 12.7510 13.1858 13.1858 k =-0.5000 0.3081 0.3264 ( 4286 PWs) bands (ev): -12.9806 -12.9806 -12.8577 -12.8577 -11.2072 -11.2072 -9.7565 -9.7565 -9.0282 -9.0282 -8.9010 -8.9010 -2.5185 -2.5185 -2.3832 -2.3832 -2.3778 -2.3778 -0.9968 -0.9968 -0.1786 -0.1786 0.6391 0.6391 0.7990 0.7990 1.2082 1.2082 2.0276 2.0276 2.2341 2.2341 2.3854 2.3854 2.5440 2.5440 3.0913 3.0913 3.4806 3.4806 3.9069 3.9069 4.4541 4.4541 4.8876 4.8876 4.8958 4.8958 12.1360 12.1360 12.4794 12.4794 12.6753 12.6753 12.7395 12.7395 13.1877 13.1877 k =-0.5000 0.3081 0.3101 ( 4282 PWs) bands (ev): -12.9853 -12.9853 -12.8544 -12.8544 -11.2449 -11.2449 -9.6933 -9.6933 -9.0339 -9.0339 -8.8985 -8.8985 -2.4834 -2.4834 -2.4622 -2.4622 -2.3396 -2.3396 -0.9768 -0.9768 -0.2185 -0.2185 0.5893 0.5893 0.7685 0.7685 1.1933 1.1933 2.1046 2.1046 2.2692 2.2692 2.3548 2.3548 2.5394 2.5394 3.0699 3.0699 3.4851 3.4851 3.8928 3.8928 4.4685 4.4685 4.8957 4.8957 4.9098 4.9098 12.1706 12.1706 12.5790 12.5790 12.6411 12.6411 12.7296 12.7296 13.1996 13.1996 k =-0.5000 0.3081 0.2938 ( 4290 PWs) bands (ev): -12.9899 -12.9899 -12.8512 -12.8512 -11.2809 -11.2809 -9.6309 -9.6309 -9.0395 -9.0395 -8.8962 -8.8962 -2.5463 -2.5463 -2.4458 -2.4458 -2.2941 -2.2941 -0.9583 -0.9583 -0.2555 -0.2555 0.5360 0.5360 0.7348 0.7348 1.1772 1.1772 2.1810 2.1810 2.3034 2.3034 2.3247 2.3247 2.5363 2.5363 3.0496 3.0496 3.4893 3.4893 3.8791 3.8791 4.4814 4.4814 4.9039 4.9039 4.9247 4.9247 12.2000 12.2000 12.6069 12.6069 12.6827 12.6827 12.7215 12.7215 13.2218 13.2218 k =-0.5000 0.3081 0.2774 ( 4286 PWs) bands (ev): -12.9944 -12.9944 -12.8483 -12.8483 -11.3151 -11.3151 -9.5695 -9.5695 -9.0450 -9.0450 -8.8940 -8.8940 -2.6296 -2.6296 -2.4059 -2.4059 -2.2468 -2.2468 -0.9413 -0.9413 -0.2896 -0.2896 0.4795 0.4795 0.6981 0.6981 1.1606 1.1606 2.2556 2.2556 2.2948 2.2948 2.3373 2.3373 2.5349 2.5349 3.0304 3.0304 3.4930 3.4930 3.8658 3.8658 4.4927 4.4927 4.9120 4.9120 4.9405 4.9405 12.2237 12.2237 12.5735 12.5735 12.7151 12.7151 12.7896 12.7896 13.2543 13.2543 k =-0.5000 0.3081 0.2611 ( 4286 PWs) bands (ev): -12.9987 -12.9987 -12.8455 -12.8455 -11.3474 -11.3474 -9.5093 -9.5093 -9.0502 -9.0502 -8.8921 -8.8921 -2.7117 -2.7117 -2.3639 -2.3639 -2.1978 -2.1978 -0.9256 -0.9256 -0.3210 -0.3210 0.4201 0.4201 0.6583 0.6583 1.1440 1.1440 2.2665 2.2665 2.3276 2.3276 2.3701 2.3701 2.5351 2.5351 3.0123 3.0123 3.4964 3.4964 3.8529 3.8529 4.5026 4.5026 4.9201 4.9201 4.9571 4.9571 12.2417 12.2417 12.5411 12.5411 12.7110 12.7110 12.8986 12.8986 13.2964 13.2964 k =-0.5000 0.3081 0.2448 ( 4286 PWs) bands (ev): -13.0027 -13.0027 -12.8429 -12.8429 -11.3778 -11.3778 -9.4506 -9.4506 -9.0553 -9.0553 -8.8903 -8.8903 -2.7921 -2.7921 -2.3198 -2.3198 -2.1474 -2.1474 -0.9111 -0.9111 -0.3498 -0.3498 0.3584 0.3584 0.6157 0.6157 1.1277 1.1277 2.2396 2.2396 2.3923 2.3923 2.4061 2.4061 2.5369 2.5369 2.9953 2.9953 3.4992 3.4992 3.8404 3.8404 4.5110 4.5110 4.9280 4.9280 4.9744 4.9744 12.2545 12.2545 12.5098 12.5098 12.7090 12.7090 13.0088 13.0088 13.3471 13.3471 k =-0.5000 0.3081 0.2285 ( 4284 PWs) bands (ev): -13.0066 -13.0066 -12.8404 -12.8404 -11.4064 -11.4064 -9.3936 -9.3936 -9.0601 -9.0601 -8.8887 -8.8887 -2.8703 -2.8703 -2.2741 -2.2741 -2.0960 -2.0960 -0.8979 -0.8979 -0.3763 -0.3763 0.2947 0.2947 0.5706 0.5706 1.1120 1.1120 2.2144 2.2144 2.4285 2.4285 2.4660 2.4660 2.5401 2.5401 2.9794 2.9794 3.5017 3.5017 3.8283 3.8283 4.5181 4.5181 4.9357 4.9357 4.9921 4.9921 12.2629 12.2629 12.4800 12.4800 12.7092 12.7092 13.1191 13.1191 13.4048 13.4048 k =-0.5000 0.3081 0.2122 ( 4272 PWs) bands (ev): -13.0103 -13.0103 -12.8382 -12.8382 -11.4331 -11.4331 -9.3387 -9.3387 -9.0647 -9.0647 -8.8872 -8.8872 -2.9459 -2.9459 -2.2269 -2.2269 -2.0437 -2.0437 -0.8858 -0.8858 -0.4004 -0.4004 0.2295 0.2295 0.5232 0.5232 1.0969 1.0969 2.1912 2.1912 2.4575 2.4575 2.5280 2.5280 2.5445 2.5445 2.9647 2.9647 3.5037 3.5037 3.8167 3.8167 4.5240 4.5240 4.9432 4.9432 5.0100 5.0100 12.2677 12.2677 12.4517 12.4517 12.7116 12.7116 13.2278 13.2278 13.4366 13.4366 k =-0.5000 0.3081 0.1958 ( 4272 PWs) bands (ev): -13.0138 -13.0138 -12.8361 -12.8361 -11.4579 -11.4579 -9.2861 -9.2861 -9.0691 -9.0691 -8.8859 -8.8859 -3.0182 -3.0182 -2.1786 -2.1786 -1.9909 -1.9909 -0.8748 -0.8748 -0.4224 -0.4224 0.1634 0.1634 0.4741 0.4741 1.0827 1.0827 2.1700 2.1700 2.4845 2.4845 2.5499 2.5499 2.5864 2.5864 2.9510 2.9510 3.5052 3.5052 3.8057 3.8057 4.5288 4.5288 4.9504 4.9504 5.0281 5.0281 12.2698 12.2698 12.4250 12.4250 12.7163 12.7163 13.3330 13.3330 13.4094 13.4094 k =-0.5000 0.3081 0.1795 ( 4268 PWs) bands (ev): -13.0171 -13.0171 -12.8341 -12.8341 -11.4807 -11.4807 -9.2361 -9.2361 -9.0732 -9.0732 -8.8848 -8.8848 -3.0869 -3.0869 -2.1295 -2.1295 -1.9382 -1.9382 -0.8649 -0.8649 -0.4423 -0.4423 0.0970 0.0970 0.4237 0.4237 1.0694 1.0694 2.1509 2.1509 2.5097 2.5097 2.5562 2.5562 2.6407 2.6407 2.9384 2.9384 3.5064 3.5064 3.7952 3.7952 4.5326 4.5326 4.9572 4.9572 5.0460 5.0460 12.2699 12.2699 12.4003 12.4003 12.7232 12.7232 13.3823 13.3823 13.4324 13.4324 k =-0.5000 0.3081 0.1632 ( 4260 PWs) bands (ev): -13.0201 -13.0201 -12.8324 -12.8324 -11.5017 -11.5017 -9.1891 -9.1891 -9.0769 -9.0769 -8.8837 -8.8837 -3.1515 -3.1515 -2.0800 -2.0800 -1.8859 -1.8859 -0.8560 -0.8560 -0.4601 -0.4601 0.0310 0.0310 0.3727 0.3727 1.0571 1.0571 2.1339 2.1339 2.5331 2.5331 2.5631 2.5631 2.6906 2.6906 2.9270 2.9270 3.5072 3.5072 3.7854 3.7854 4.5355 4.5355 4.9636 4.9636 5.0635 5.0635 12.2688 12.2688 12.3774 12.3774 12.7323 12.7323 13.3559 13.3559 13.5230 13.5230 k =-0.5000 0.3081 0.1469 ( 4260 PWs) bands (ev): -13.0228 -13.0228 -12.8308 -12.8308 -11.5206 -11.5206 -9.1453 -9.1453 -9.0804 -9.0804 -8.8828 -8.8828 -3.2116 -3.2116 -2.0308 -2.0308 -1.8346 -1.8346 -0.8480 -0.8480 -0.4761 -0.4761 -0.0339 -0.0339 0.3218 0.3218 1.0459 1.0459 2.1189 2.1189 2.5545 2.5545 2.5704 2.5704 2.7360 2.7360 2.9166 2.9166 3.5076 3.5076 3.7764 3.7764 4.5376 4.5376 4.9695 4.9695 5.0804 5.0804 12.2668 12.2668 12.3565 12.3565 12.7434 12.7434 13.3305 13.3305 13.6020 13.6020 k =-0.5000 0.3081 0.1306 ( 4260 PWs) bands (ev): -13.0253 -13.0253 -12.8294 -12.8294 -11.5376 -11.5376 -9.1051 -9.1051 -9.0835 -9.0835 -8.8820 -8.8820 -3.2667 -3.2667 -1.9825 -1.9825 -1.7850 -1.7850 -0.8410 -0.8410 -0.4903 -0.4903 -0.0968 -0.0968 0.2719 0.2719 1.0358 1.0358 2.1059 2.1059 2.5734 2.5734 2.5784 2.5784 2.7768 2.7768 2.9072 2.9072 3.5077 3.5077 3.7680 3.7680 4.5392 4.5392 4.9749 4.9749 5.0964 5.0964 12.2645 12.2645 12.3377 12.3377 12.7562 12.7562 13.3065 13.3065 13.6671 13.6671 k =-0.5000 0.3081 0.1142 ( 4252 PWs) bands (ev): -13.0275 -13.0275 -12.8281 -12.8281 -11.5526 -11.5526 -9.0864 -9.0864 -9.0687 -9.0687 -8.8814 -8.8814 -3.3164 -3.3164 -1.9357 -1.9357 -1.7378 -1.7378 -0.8349 -0.8349 -0.5026 -0.5026 -0.1568 -0.1568 0.2239 0.2239 1.0268 1.0268 2.0948 2.0948 2.5840 2.5840 2.5923 2.5923 2.8129 2.8129 2.8990 2.8990 3.5076 3.5076 3.7606 3.7606 4.5402 4.5402 4.9798 4.9798 5.1112 5.1112 12.2621 12.2621 12.3210 12.3210 12.7704 12.7704 13.2844 13.2844 13.7072 13.7072 k =-0.5000 0.3081 0.0979 ( 4240 PWs) bands (ev): -13.0294 -13.0294 -12.8271 -12.8271 -11.5656 -11.5656 -9.0888 -9.0888 -9.0365 -9.0365 -8.8808 -8.8808 -3.3603 -3.3603 -1.8915 -1.8915 -1.6938 -1.6938 -0.8297 -0.8297 -0.5132 -0.5132 -0.2129 -0.2129 0.1789 0.1789 1.0189 1.0189 2.0854 2.0854 2.5910 2.5910 2.6074 2.6074 2.8442 2.8442 2.8919 2.8919 3.5073 3.5073 3.7540 3.7540 4.5408 4.5408 4.9841 4.9841 5.1246 5.1246 12.2597 12.2597 12.3065 12.3065 12.7856 12.7856 13.2645 13.2645 13.6570 13.6570 k =-0.5000 0.3081 0.0816 ( 4240 PWs) bands (ev): -13.0311 -13.0311 -12.8262 -12.8262 -11.5767 -11.5767 -9.0909 -9.0909 -9.0088 -9.0088 -8.8803 -8.8803 -3.3982 -3.3982 -1.8509 -1.8509 -1.6541 -1.6541 -0.8253 -0.8253 -0.5221 -0.5221 -0.2637 -0.2637 0.1380 0.1380 1.0122 1.0122 2.0777 2.0777 2.5971 2.5971 2.6204 2.6204 2.8705 2.8705 2.8859 2.8859 3.5069 3.5069 3.7483 3.7483 4.5412 4.5412 4.9878 4.9878 5.1365 5.1365 12.2576 12.2576 12.2942 12.2942 12.8010 12.8010 13.2471 13.2471 13.6110 13.6110 k =-0.5000 0.3081 0.0653 ( 4244 PWs) bands (ev): -13.0324 -13.0324 -12.8254 -12.8254 -11.5857 -11.5857 -9.0927 -9.0927 -8.9857 -8.9857 -8.8799 -8.8799 -3.4296 -3.4296 -1.8151 -1.8151 -1.6196 -1.6196 -0.8217 -0.8217 -0.5293 -0.5293 -0.3081 -0.3081 0.1023 0.1023 1.0068 1.0068 2.0716 2.0716 2.6024 2.6024 2.6312 2.6312 2.8805 2.8805 2.8927 2.8927 3.5065 3.5065 3.7437 3.7437 4.5413 4.5413 4.9909 4.9909 5.1464 5.1464 12.2557 12.2557 12.2841 12.2841 12.8159 12.8159 13.2325 13.2325 13.5706 13.5706 k =-0.5000 0.3081 0.0490 ( 4250 PWs) bands (ev): -13.0335 -13.0335 -12.8249 -12.8249 -11.5927 -11.5927 -9.0940 -9.0940 -8.9675 -8.9675 -8.8796 -8.8796 -3.4543 -3.4543 -1.7853 -1.7853 -1.5914 -1.5914 -0.8189 -0.8189 -0.5349 -0.5349 -0.3447 -0.3447 0.0730 0.0730 1.0025 1.0025 2.0669 2.0669 2.6068 2.6068 2.6396 2.6396 2.8768 2.8768 2.9094 2.9094 3.5061 3.5061 3.7400 3.7400 4.5414 4.5414 4.9933 4.9933 5.1544 5.1544 12.2542 12.2542 12.2762 12.2762 12.8293 12.8293 13.2209 13.2209 13.5371 13.5371 k =-0.5000 0.3081 0.0326 ( 4240 PWs) bands (ev): -13.0343 -13.0343 -12.8244 -12.8244 -11.5978 -11.5978 -9.0950 -9.0950 -8.9544 -8.9544 -8.8794 -8.8794 -3.4721 -3.4721 -1.7629 -1.7629 -1.5704 -1.5704 -0.8170 -0.8170 -0.5389 -0.5389 -0.3720 -0.3720 0.0511 0.0511 0.9994 0.9994 2.0636 2.0636 2.6099 2.6099 2.6457 2.6457 2.8740 2.8740 2.9215 2.9215 3.5058 3.5058 3.7373 3.7373 4.5413 4.5413 4.9950 4.9950 5.1602 5.1602 12.2531 12.2531 12.2706 12.2706 12.8401 12.8401 13.2125 13.2125 13.5119 13.5119 k =-0.5000 0.3081 0.0163 ( 4226 PWs) bands (ev): -13.0347 -13.0347 -12.8242 -12.8242 -11.6008 -11.6008 -9.0956 -9.0956 -8.9465 -8.9465 -8.8792 -8.8792 -3.4828 -3.4828 -1.7489 -1.7489 -1.5574 -1.5574 -0.8158 -0.8158 -0.5413 -0.5413 -0.3889 -0.3889 0.0376 0.0376 0.9976 0.9976 2.0617 2.0617 2.6119 2.6119 2.6494 2.6494 2.8724 2.8724 2.9287 2.9287 3.5056 3.5056 3.7357 3.7357 4.5413 4.5413 4.9961 4.9961 5.1637 5.1637 12.2524 12.2524 12.2672 12.2672 12.8470 12.8470 13.2074 13.2074 13.4961 13.4961 k =-0.5000 0.3081 0.0000 ( 4242 PWs) bands (ev): -13.0349 -13.0349 -12.8241 -12.8241 -11.6018 -11.6018 -9.0958 -9.0958 -8.9439 -8.9439 -8.8792 -8.8792 -3.4864 -3.4864 -1.7441 -1.7441 -1.5531 -1.5531 -0.8154 -0.8154 -0.5421 -0.5421 -0.3946 -0.3946 0.0331 0.0331 0.9970 0.9970 2.0610 2.0610 2.6126 2.6126 2.6506 2.6506 2.8718 2.8718 2.9311 2.9311 3.5055 3.5055 3.7352 3.7352 4.5413 4.5413 4.9964 4.9964 5.1649 5.1649 12.2522 12.2522 12.2661 12.2661 12.8495 12.8495 13.2057 13.2057 13.4907 13.4907 k = 0.0000 0.0000 0.5386 ( 4248 PWs) bands (ev): -13.0998 -13.0998 -13.0998 -13.0998 -10.1061 -10.1061 -10.1061 -10.1061 -8.9470 -8.9470 -8.9470 -8.9470 -3.8845 -3.8845 -3.8845 -3.8845 -0.2805 -0.2805 -0.2805 -0.2805 -0.1509 -0.1509 -0.1509 -0.1509 0.8182 0.8182 0.8182 0.8182 1.9187 1.9187 1.9187 1.9187 2.8162 2.8162 2.8162 2.8162 3.8503 3.8503 3.8503 3.8503 4.1259 4.1259 4.1259 4.1259 5.3454 5.3454 5.3454 5.3454 11.5282 11.5282 11.5282 11.5282 12.2535 12.2535 12.2535 12.2535 13.0489 13.0489 k =-0.0139 0.0086 0.5386 ( 4246 PWs) bands (ev): -13.0995 -13.0995 -13.0995 -13.0995 -10.1070 -10.1070 -10.1070 -10.1070 -8.9470 -8.9470 -8.9469 -8.9469 -3.8830 -3.8830 -3.8827 -3.8827 -0.2881 -0.2881 -0.2870 -0.2870 -0.1448 -0.1448 -0.1436 -0.1436 0.8193 0.8193 0.8194 0.8194 1.9169 1.9169 1.9172 1.9172 2.8172 2.8172 2.8174 2.8174 3.8495 3.8495 3.8499 3.8499 4.1240 4.1240 4.1243 4.1243 5.3452 5.3452 5.3453 5.3453 11.5280 11.5280 11.5283 11.5283 12.2556 12.2556 12.2562 12.2562 13.0492 13.0492 k =-0.0278 0.0171 0.5386 ( 4256 PWs) bands (ev): -13.0986 -13.0986 -13.0985 -13.0985 -10.1098 -10.1098 -10.1097 -10.1097 -8.9469 -8.9469 -8.9467 -8.9467 -3.8782 -3.8782 -3.8777 -3.8777 -0.3065 -0.3065 -0.3048 -0.3048 -0.1283 -0.1283 -0.1264 -0.1264 0.8227 0.8227 0.8230 0.8230 1.9120 1.9120 1.9124 1.9124 2.8203 2.8203 2.8207 2.8207 3.8475 3.8475 3.8483 3.8483 4.1187 4.1187 4.1192 4.1192 5.3447 5.3447 5.3449 5.3449 11.5278 11.5278 11.5284 11.5284 12.2622 12.2622 12.2635 12.2635 13.0503 13.0503 k =-0.0417 0.0257 0.5386 ( 4264 PWs) bands (ev): -13.0970 -13.0970 -13.0969 -13.0969 -10.1144 -10.1144 -10.1143 -10.1143 -8.9468 -8.9468 -8.9464 -8.9464 -3.8702 -3.8702 -3.8694 -3.8694 -0.3311 -0.3311 -0.3292 -0.3292 -0.1062 -0.1062 -0.1038 -0.1038 0.8284 0.8284 0.8288 0.8288 1.9038 1.9038 1.9045 1.9045 2.8254 2.8254 2.8261 2.8261 3.8442 3.8442 3.8454 3.8454 4.1100 4.1100 4.1109 4.1109 5.3438 5.3438 5.3441 5.3441 11.5277 11.5277 11.5285 11.5285 12.2734 12.2734 12.2754 12.2754 13.0523 13.0523 k =-0.0556 0.0342 0.5386 ( 4276 PWs) bands (ev): -13.0949 -13.0949 -13.0948 -13.0948 -10.1208 -10.1208 -10.1206 -10.1206 -8.9466 -8.9466 -8.9461 -8.9461 -3.8589 -3.8589 -3.8579 -3.8579 -0.3591 -0.3591 -0.3570 -0.3570 -0.0813 -0.0813 -0.0787 -0.0787 0.8363 0.8363 0.8369 0.8369 1.8927 1.8927 1.8935 1.8935 2.8323 2.8323 2.8332 2.8332 3.8397 3.8397 3.8413 3.8413 4.0984 4.0984 4.0995 4.0995 5.3424 5.3424 5.3427 5.3427 11.5277 11.5277 11.5288 11.5288 12.2889 12.2889 12.2915 12.2915 13.0550 13.0550 k =-0.0694 0.0428 0.5386 ( 4276 PWs) bands (ev): -13.0921 -13.0921 -13.0920 -13.0920 -10.1289 -10.1289 -10.1286 -10.1286 -8.9463 -8.9463 -8.9457 -8.9457 -3.8445 -3.8445 -3.8433 -3.8433 -0.3892 -0.3892 -0.3871 -0.3871 -0.0550 -0.0550 -0.0523 -0.0523 0.8464 0.8464 0.8471 0.8471 1.8786 1.8786 1.8797 1.8797 2.8407 2.8407 2.8419 2.8419 3.8339 3.8339 3.8359 3.8359 4.0842 4.0842 4.0856 4.0856 5.3404 5.3404 5.3407 5.3407 11.5281 11.5281 11.5294 11.5294 12.3084 12.3084 12.3115 12.3115 13.0585 13.0585 k =-0.0833 0.0514 0.5386 ( 4280 PWs) bands (ev): -13.0887 -13.0887 -13.0886 -13.0886 -10.1386 -10.1386 -10.1383 -10.1383 -8.9460 -8.9460 -8.9453 -8.9453 -3.8269 -3.8269 -3.8255 -3.8255 -0.4207 -0.4207 -0.4186 -0.4186 -0.0280 -0.0280 -0.0252 -0.0252 0.8587 0.8587 0.8596 0.8596 1.8618 1.8618 1.8631 1.8631 2.8505 2.8505 2.8518 2.8518 3.8268 3.8268 3.8293 3.8293 4.0678 4.0678 4.0696 4.0696 5.3374 5.3374 5.3378 5.3378 11.5290 11.5290 11.5305 11.5305 12.3315 12.3315 12.3353 12.3353 13.0626 13.0626 k =-0.0972 0.0599 0.5386 ( 4274 PWs) bands (ev): -13.0848 -13.0848 -13.0846 -13.0846 -10.1499 -10.1499 -10.1496 -10.1496 -8.9457 -8.9457 -8.9449 -8.9449 -3.8063 -3.8063 -3.8046 -3.8046 -0.4535 -0.4535 -0.4514 -0.4514 -0.0005 -0.0005 0.0024 0.0024 0.8731 0.8731 0.8741 0.8741 1.8425 1.8425 1.8440 1.8440 2.8611 2.8611 2.8627 2.8627 3.8185 3.8185 3.8214 3.8214 4.0500 4.0500 4.0520 4.0520 5.3334 5.3334 5.3337 5.3337 11.5306 11.5306 11.5322 11.5322 12.3580 12.3580 12.3623 12.3623 13.0673 13.0674 k =-0.1111 0.0685 0.5386 ( 4284 PWs) bands (ev): -13.0803 -13.0803 -13.0801 -13.0801 -10.1626 -10.1626 -10.1623 -10.1623 -8.9454 -8.9454 -8.9445 -8.9445 -3.7827 -3.7827 -3.7808 -3.7808 -0.4872 -0.4872 -0.4852 -0.4852 0.0273 0.0273 0.0302 0.0302 0.8895 0.8895 0.8906 0.8906 1.8208 1.8208 1.8224 1.8224 2.8721 2.8721 2.8739 2.8739 3.8088 3.8088 3.8121 3.8121 4.0311 4.0311 4.0335 4.0335 5.3281 5.3281 5.3285 5.3285 11.5330 11.5330 11.5348 11.5348 12.3874 12.3874 12.3923 12.3923 13.0727 13.0727 k =-0.1250 0.0770 0.5386 ( 4284 PWs) bands (ev): -13.0754 -13.0754 -13.0751 -13.0751 -10.1766 -10.1766 -10.1763 -10.1763 -8.9450 -8.9450 -8.9441 -8.9441 -3.7562 -3.7562 -3.7541 -3.7541 -0.5219 -0.5219 -0.5199 -0.5199 0.0553 0.0553 0.0583 0.0583 0.9078 0.9078 0.9091 0.9091 1.7970 1.7970 1.7988 1.7988 2.8833 2.8833 2.8853 2.8853 3.7977 3.7977 3.8015 3.8015 4.0120 4.0120 4.0147 4.0147 5.3214 5.3214 5.3218 5.3218 11.5364 11.5364 11.5382 11.5382 12.4192 12.4192 12.4247 12.4247 13.0786 13.0786 k =-0.1389 0.0856 0.5386 ( 4294 PWs) bands (ev): -13.0699 -13.0699 -13.0696 -13.0696 -10.1919 -10.1919 -10.1915 -10.1915 -8.9448 -8.9448 -8.9437 -8.9437 -3.7269 -3.7269 -3.7247 -3.7247 -0.5574 -0.5574 -0.5554 -0.5554 0.0835 0.0835 0.0865 0.0865 0.9281 0.9281 0.9294 0.9294 1.7711 1.7711 1.7731 1.7731 2.8941 2.8941 2.8963 2.8963 3.7853 3.7853 3.7896 3.7896 3.9931 3.9931 3.9961 3.9961 5.3132 5.3132 5.3135 5.3135 11.5407 11.5407 11.5427 11.5427 12.4532 12.4532 12.4592 12.4592 13.0851 13.0851 k =-0.1528 0.0941 0.5386 ( 4290 PWs) bands (ev): -13.0639 -13.0639 -13.0636 -13.0636 -10.2083 -10.2083 -10.2079 -10.2079 -8.9445 -8.9445 -8.9434 -8.9434 -3.6950 -3.6950 -3.6925 -3.6925 -0.5937 -0.5937 -0.5917 -0.5917 0.1117 0.1117 0.1147 0.1147 0.9501 0.9501 0.9515 0.9515 1.7436 1.7436 1.7457 1.7457 2.9040 2.9040 2.9065 2.9065 3.7717 3.7717 3.7763 3.7763 3.9752 3.9752 3.9785 3.9785 5.3032 5.3032 5.3035 5.3035 11.5462 11.5462 11.5482 11.5482 12.4888 12.4888 12.4954 12.4954 13.0923 13.0923 k =-0.1667 0.1027 0.5386 ( 4290 PWs) bands (ev): -13.0575 -13.0575 -13.0572 -13.0572 -10.2256 -10.2256 -10.2252 -10.2252 -8.9443 -8.9443 -8.9432 -8.9432 -3.6605 -3.6605 -3.6579 -3.6579 -0.6308 -0.6308 -0.6288 -0.6288 0.1400 0.1400 0.1430 0.1430 0.9737 0.9737 0.9753 0.9753 1.7144 1.7144 1.7168 1.7168 2.9127 2.9127 2.9154 2.9154 3.7568 3.7568 3.7617 3.7617 3.9589 3.9589 3.9623 3.9623 5.2915 5.2915 5.2917 5.2917 11.5526 11.5526 11.5547 11.5547 12.5256 12.5256 12.5327 12.5327 13.1003 13.1003 k =-0.1806 0.1113 0.5386 ( 4288 PWs) bands (ev): -13.0508 -13.0508 -13.0505 -13.0505 -10.2438 -10.2438 -10.2433 -10.2433 -8.9442 -8.9442 -8.9430 -8.9430 -3.6235 -3.6235 -3.6208 -3.6208 -0.6685 -0.6685 -0.6665 -0.6665 0.1682 0.1682 0.1712 0.1712 0.9990 0.9990 1.0007 1.0007 1.6840 1.6840 1.6865 1.6865 2.9197 2.9197 2.9226 2.9226 3.7408 3.7408 3.7460 3.7460 3.9447 3.9447 3.9481 3.9481 5.2779 5.2779 5.2782 5.2782 11.5601 11.5601 11.5622 11.5622 12.5631 12.5631 12.5707 12.5707 13.1093 13.1093 k =-0.1944 0.1198 0.5386 ( 4284 PWs) bands (ev): -13.0437 -13.0437 -13.0433 -13.0433 -10.2626 -10.2626 -10.2622 -10.2622 -8.9441 -8.9441 -8.9429 -8.9429 -3.5843 -3.5843 -3.5815 -3.5815 -0.7070 -0.7070 -0.7049 -0.7049 0.1963 0.1963 0.1993 0.1993 1.0256 1.0256 1.0274 1.0274 1.6525 1.6525 1.6552 1.6552 2.9247 2.9247 2.9277 2.9277 3.7237 3.7237 3.7291 3.7291 3.9329 3.9329 3.9364 3.9364 5.2626 5.2626 5.2629 5.2629 11.5686 11.5686 11.5707 11.5707 12.6006 12.6006 12.6087 12.6087 13.1196 13.1196 k =-0.2083 0.1284 0.5386 ( 4284 PWs) bands (ev): -13.0362 -13.0362 -13.0359 -13.0359 -10.2820 -10.2820 -10.2815 -10.2815 -8.9442 -8.9442 -8.9430 -8.9430 -3.5430 -3.5430 -3.5400 -3.5400 -0.7460 -0.7460 -0.7440 -0.7440 0.2243 0.2243 0.2273 0.2273 1.0534 1.0534 1.0554 1.0554 1.6204 1.6204 1.6232 1.6232 2.9272 2.9272 2.9304 2.9304 3.7058 3.7058 3.7113 3.7113 3.9241 3.9241 3.9274 3.9274 5.2454 5.2454 5.2459 5.2459 11.5779 11.5779 11.5801 11.5801 12.6376 12.6376 12.6462 12.6462 13.1316 13.1316 k =-0.2222 0.1369 0.5386 ( 4288 PWs) bands (ev): -13.0286 -13.0286 -13.0282 -13.0282 -10.3017 -10.3017 -10.3012 -10.3012 -8.9443 -8.9443 -8.9431 -8.9431 -3.4998 -3.4998 -3.4967 -3.4967 -0.7856 -0.7856 -0.7836 -0.7836 0.2520 0.2520 0.2550 0.2550 1.0820 1.0820 1.0842 1.0842 1.5878 1.5878 1.5909 1.5909 2.9271 2.9271 2.9304 2.9304 3.6872 3.6872 3.6927 3.6927 3.9183 3.9183 3.9215 3.9215 5.2266 5.2266 5.2272 5.2272 11.5880 11.5880 11.5902 11.5902 12.6734 12.6734 12.6824 12.6824 13.1457 13.1457 k =-0.2361 0.1455 0.5386 ( 4292 PWs) bands (ev): -13.0207 -13.0207 -13.0204 -13.0204 -10.3217 -10.3217 -10.3212 -10.3212 -8.9445 -8.9445 -8.9433 -8.9433 -3.4548 -3.4548 -3.4516 -3.4516 -0.8258 -0.8258 -0.8237 -0.8237 0.2795 0.2795 0.2824 0.2824 1.1112 1.1112 1.1135 1.1135 1.5555 1.5555 1.5588 1.5588 2.9242 2.9242 2.9276 2.9276 3.6679 3.6679 3.6733 3.6733 3.9158 3.9158 3.9189 3.9189 5.2061 5.2061 5.2069 5.2069 11.5988 11.5988 11.6010 11.6010 12.7072 12.7072 12.7167 12.7167 13.1625 13.1625 k =-0.2500 0.1541 0.5386 ( 4292 PWs) bands (ev): -13.0127 -13.0127 -13.0124 -13.0124 -10.3418 -10.3418 -10.3413 -10.3413 -8.9448 -8.9448 -8.9436 -8.9436 -3.4082 -3.4082 -3.4049 -3.4049 -0.8664 -0.8664 -0.8643 -0.8643 0.3065 0.3065 0.3095 0.3095 1.1400 1.1400 1.1426 1.1426 1.5242 1.5242 1.5277 1.5277 2.9184 2.9184 2.9219 2.9219 3.6481 3.6481 3.6534 3.6534 3.9167 3.9167 3.9195 3.9195 5.1843 5.1843 5.1851 5.1851 11.6101 11.6101 11.6123 11.6123 12.7385 12.7385 12.7483 12.7483 13.1823 13.1823 k =-0.2639 0.1626 0.5386 ( 4282 PWs) bands (ev): -13.0046 -13.0046 -13.0043 -13.0043 -10.3618 -10.3618 -10.3613 -10.3613 -8.9452 -8.9452 -8.9440 -8.9440 -3.3603 -3.3603 -3.3570 -3.3570 -0.9075 -0.9075 -0.9054 -0.9054 0.3332 0.3332 0.3361 0.3361 1.1675 1.1675 1.1703 1.1703 1.4952 1.4952 1.4989 1.4989 2.9099 2.9099 2.9134 2.9134 3.6278 3.6278 3.6330 3.6330 3.9208 3.9208 3.9234 3.9234 5.1611 5.1611 5.1621 5.1621 11.6218 11.6218 11.6240 11.6240 12.7666 12.7666 12.7767 12.7767 13.2057 13.2057 k =-0.2778 0.1712 0.5386 ( 4282 PWs) bands (ev): -12.9965 -12.9965 -12.9961 -12.9961 -10.3816 -10.3816 -10.3812 -10.3812 -8.9456 -8.9456 -8.9445 -8.9445 -3.3113 -3.3113 -3.3080 -3.3080 -0.9488 -0.9488 -0.9467 -0.9467 0.3594 0.3594 0.3623 0.3623 1.1916 1.1916 1.1948 1.1948 1.4704 1.4704 1.4743 1.4743 2.8986 2.8986 2.9022 2.9022 3.6072 3.6072 3.6122 3.6122 3.9280 3.9280 3.9305 3.9305 5.1368 5.1368 5.1379 5.1379 11.6338 11.6338 11.6360 11.6360 12.7912 12.7912 12.8015 12.8015 13.2326 13.2326 k =-0.2917 0.1797 0.5386 ( 4278 PWs) bands (ev): -12.9884 -12.9884 -12.9881 -12.9881 -10.4011 -10.4011 -10.4007 -10.4007 -8.9461 -8.9461 -8.9450 -8.9450 -3.2615 -3.2615 -3.2581 -3.2581 -0.9905 -0.9905 -0.9883 -0.9883 0.3851 0.3851 0.3879 0.3879 1.2094 1.2094 1.2127 1.2127 1.4530 1.4530 1.4570 1.4570 2.8850 2.8850 2.8885 2.8885 3.5862 3.5862 3.5911 3.5911 3.9382 3.9382 3.9405 3.9405 5.1116 5.1116 5.1128 5.1128 11.6459 11.6459 11.6481 11.6481 12.8124 12.8124 12.8227 12.8227 13.2631 13.2631 k =-0.3056 0.1883 0.5386 ( 4288 PWs) bands (ev): -12.9804 -12.9804 -12.9801 -12.9801 -10.4201 -10.4201 -10.4197 -10.4197 -8.9467 -8.9467 -8.9456 -8.9456 -3.2111 -3.2111 -3.2077 -3.2077 -1.0322 -1.0322 -1.0300 -1.0300 0.4101 0.4101 0.4130 0.4130 1.2170 1.2170 1.2204 1.2204 1.4470 1.4470 1.4508 1.4508 2.8691 2.8691 2.8726 2.8726 3.5651 3.5651 3.5698 3.5698 3.9509 3.9509 3.9531 3.9531 5.0857 5.0857 5.0870 5.0870 11.6581 11.6581 11.6602 11.6602 12.8301 12.8301 12.8404 12.8404 13.2964 13.2964 k =-0.3194 0.1969 0.5386 ( 4292 PWs) bands (ev): -12.9726 -12.9726 -12.9723 -12.9723 -10.4385 -10.4385 -10.4381 -10.4381 -8.9473 -8.9473 -8.9463 -8.9463 -3.1605 -3.1605 -3.1571 -3.1571 -1.0739 -1.0739 -1.0717 -1.0717 0.4346 0.4346 0.4374 0.4374 1.2124 1.2124 1.2156 1.2156 1.4545 1.4545 1.4578 1.4578 2.8514 2.8514 2.8548 2.8548 3.5441 3.5441 3.5486 3.5486 3.9658 3.9658 3.9679 3.9679 5.0593 5.0593 5.0607 5.0607 11.6701 11.6701 11.6722 11.6722 12.8449 12.8449 12.8550 12.8550 13.3319 13.3319 k =-0.3333 0.2054 0.5386 ( 4292 PWs) bands (ev): -12.9650 -12.9650 -12.9647 -12.9647 -10.4562 -10.4562 -10.4558 -10.4558 -8.9479 -8.9479 -8.9469 -8.9469 -3.1100 -3.1100 -3.1066 -3.1066 -1.1153 -1.1153 -1.1132 -1.1132 0.4584 0.4584 0.4612 0.4612 1.1971 1.1971 1.2000 1.2000 1.4737 1.4737 1.4765 1.4765 2.8321 2.8321 2.8353 2.8353 3.5232 3.5232 3.5275 3.5275 3.9825 3.9825 3.9845 3.9845 5.0327 5.0327 5.0341 5.0341 11.6818 11.6818 11.6839 11.6839 12.8571 12.8571 12.8669 12.8669 13.3686 13.3686 k =-0.3472 0.2140 0.5386 ( 4296 PWs) bands (ev): -12.9577 -12.9577 -12.9574 -12.9574 -10.4729 -10.4729 -10.4725 -10.4725 -8.9485 -8.9485 -8.9476 -8.9476 -3.0600 -3.0600 -3.0567 -3.0567 -1.1563 -1.1563 -1.1542 -1.1542 0.4815 0.4815 0.4843 0.4843 1.1747 1.1747 1.1775 1.1775 1.5007 1.5007 1.5030 1.5030 2.8115 2.8115 2.8146 2.8146 3.5028 3.5028 3.5069 3.5069 4.0006 4.0006 4.0026 4.0026 5.0061 5.0061 5.0076 5.0076 11.6931 11.6931 11.6951 11.6951 12.8674 12.8674 12.8768 12.8768 13.4054 13.4054 k =-0.3611 0.2225 0.5386 ( 4288 PWs) bands (ev): -12.9508 -12.9508 -12.9505 -12.9505 -10.4887 -10.4887 -10.4883 -10.4883 -8.9491 -8.9491 -8.9483 -8.9483 -3.0109 -3.0109 -3.0077 -3.0077 -1.1965 -1.1965 -1.1944 -1.1944 0.5040 0.5040 0.5067 0.5067 1.1486 1.1486 1.1513 1.1513 1.5322 1.5322 1.5341 1.5341 2.7901 2.7901 2.7930 2.7930 3.4831 3.4831 3.4869 3.4869 4.0197 4.0197 4.0216 4.0216 4.9799 4.9799 4.9814 4.9814 11.7039 11.7039 11.7059 11.7059 12.8761 12.8761 12.8850 12.8850 13.4411 13.4411 k =-0.3750 0.2311 0.5386 ( 4284 PWs) bands (ev): -12.9443 -12.9443 -12.9440 -12.9440 -10.5033 -10.5033 -10.5030 -10.5030 -8.9497 -8.9497 -8.9490 -8.9490 -2.9632 -2.9632 -2.9602 -2.9602 -1.2356 -1.2356 -1.2336 -1.2336 0.5256 0.5256 0.5283 0.5283 1.1208 1.1208 1.1235 1.1235 1.5657 1.5657 1.5675 1.5675 2.7681 2.7681 2.7709 2.7709 3.4643 3.4643 3.4678 3.4678 4.0393 4.0393 4.0411 4.0411 4.9543 4.9543 4.9558 4.9558 11.7141 11.7141 11.7159 11.7159 12.8836 12.8836 12.8920 12.8920 13.4745 13.4745 k =-0.3889 0.2397 0.5386 ( 4284 PWs) bands (ev): -12.9383 -12.9383 -12.9381 -12.9381 -10.5167 -10.5167 -10.5164 -10.5164 -8.9503 -8.9503 -8.9496 -8.9496 -2.9176 -2.9176 -2.9147 -2.9147 -1.2732 -1.2732 -1.2713 -1.2713 0.5464 0.5464 0.5490 0.5490 1.0928 1.0928 1.0954 1.0954 1.5998 1.5998 1.6014 1.6014 2.7460 2.7460 2.7486 2.7486 3.4466 3.4466 3.4498 3.4498 4.0589 4.0589 4.0606 4.0606 4.9296 4.9296 4.9312 4.9312 11.7236 11.7236 11.7253 11.7253 12.8902 12.8902 12.8979 12.8979 13.5044 13.5044 k =-0.4028 0.2482 0.5386 ( 4286 PWs) bands (ev): -12.9328 -12.9328 -12.9326 -12.9326 -10.5288 -10.5288 -10.5285 -10.5285 -8.9509 -8.9509 -8.9503 -8.9503 -2.8745 -2.8745 -2.8719 -2.8719 -1.3088 -1.3088 -1.3069 -1.3069 0.5662 0.5662 0.5687 0.5687 1.0655 1.0655 1.0680 1.0680 1.6333 1.6333 1.6348 1.6348 2.7243 2.7243 2.7267 2.7267 3.4303 3.4303 3.4332 3.4332 4.0780 4.0780 4.0796 4.0796 4.9064 4.9064 4.9079 4.9079 11.7322 11.7322 11.7337 11.7337 12.8960 12.8960 12.9030 12.9030 13.5300 13.5300 k =-0.4167 0.2568 0.5386 ( 4286 PWs) bands (ev): -12.9280 -12.9280 -12.9278 -12.9278 -10.5395 -10.5395 -10.5393 -10.5393 -8.9513 -8.9513 -8.9508 -8.9508 -2.8348 -2.8348 -2.8324 -2.8324 -1.3417 -1.3417 -1.3400 -1.3400 0.5849 0.5849 0.5873 0.5873 1.0396 1.0396 1.0419 1.0419 1.6652 1.6652 1.6665 1.6665 2.7034 2.7034 2.7055 2.7055 3.4158 3.4158 3.4182 3.4182 4.0961 4.0961 4.0976 4.0976 4.8849 4.8849 4.8862 4.8862 11.7399 11.7399 11.7413 11.7413 12.9012 12.9012 12.9074 12.9074 13.5505 13.5505 k =-0.4306 0.2653 0.5386 ( 4286 PWs) bands (ev): -12.9238 -12.9238 -12.9236 -12.9236 -10.5487 -10.5487 -10.5485 -10.5485 -8.9518 -8.9518 -8.9513 -8.9513 -2.7992 -2.7992 -2.7971 -2.7971 -1.3713 -1.3713 -1.3698 -1.3698 0.6022 0.6022 0.6044 0.6044 1.0157 1.0157 1.0179 1.0179 1.6944 1.6944 1.6955 1.6955 2.6841 2.6841 2.6859 2.6859 3.4030 3.4030 3.4052 3.4052 4.1128 4.1128 4.1141 4.1141 4.8655 4.8655 4.8668 4.8668 11.7466 11.7466 11.7478 11.7478 12.9058 12.9058 12.9112 12.9112 13.5659 13.5659 k =-0.4444 0.2739 0.5386 ( 4286 PWs) bands (ev): -12.9203 -12.9203 -12.9202 -12.9202 -10.5563 -10.5563 -10.5561 -10.5561 -8.9521 -8.9521 -8.9518 -8.9518 -2.7684 -2.7684 -2.7667 -2.7667 -1.3969 -1.3969 -1.3957 -1.3957 0.6178 0.6178 0.6196 0.6196 0.9946 0.9946 0.9965 0.9965 1.7201 1.7201 1.7210 1.7210 2.6668 2.6668 2.6683 2.6683 3.3924 3.3924 3.3941 3.3941 4.1274 4.1274 4.1285 4.1285 4.8489 4.8489 4.8499 4.8499 11.7522 11.7522 11.7531 11.7531 12.9098 12.9098 12.9142 12.9142 13.5767 13.5767 k =-0.4583 0.2824 0.5386 ( 4294 PWs) bands (ev): -12.9175 -12.9175 -12.9174 -12.9174 -10.5622 -10.5622 -10.5621 -10.5621 -8.9524 -8.9524 -8.9521 -8.9521 -2.7434 -2.7434 -2.7420 -2.7420 -1.4178 -1.4178 -1.4169 -1.4169 0.6310 0.6310 0.6325 0.6325 0.9770 0.9770 0.9785 0.9785 1.7413 1.7413 1.7421 1.7421 2.6525 2.6525 2.6536 2.6536 3.3840 3.3840 3.3853 3.3853 4.1396 4.1396 4.1404 4.1404 4.8353 4.8353 4.8361 4.8361 11.7566 11.7566 11.7574 11.7574 12.9132 12.9132 12.9165 12.9165 13.5836 13.5836 k =-0.4722 0.2910 0.5386 ( 4288 PWs) bands (ev): -12.9155 -12.9155 -12.9154 -12.9154 -10.5665 -10.5665 -10.5664 -10.5664 -8.9526 -8.9526 -8.9524 -8.9524 -2.7247 -2.7247 -2.7238 -2.7238 -1.4333 -1.4333 -1.4326 -1.4326 0.6413 0.6413 0.6424 0.6424 0.9636 0.9636 0.9647 0.9647 1.7572 1.7572 1.7578 1.7578 2.6416 2.6416 2.6424 2.6424 3.3780 3.3780 3.3788 3.3788 4.1487 4.1487 4.1493 4.1493 4.8253 4.8253 4.8259 4.8259 11.7599 11.7599 11.7604 11.7604 12.9158 12.9158 12.9181 12.9181 13.5879 13.5879 k =-0.4861 0.2996 0.5386 ( 4284 PWs) bands (ev): -12.9143 -12.9143 -12.9143 -12.9143 -10.5691 -10.5691 -10.5690 -10.5690 -8.9527 -8.9527 -8.9526 -8.9526 -2.7132 -2.7132 -2.7127 -2.7127 -1.4428 -1.4428 -1.4424 -1.4424 0.6480 0.6480 0.6486 0.6486 0.9553 0.9553 0.9559 0.9559 1.7672 1.7672 1.7674 1.7674 2.6350 2.6350 2.6354 2.6354 3.3744 3.3744 3.3748 3.3748 4.1544 4.1544 4.1547 4.1547 4.8192 4.8192 4.8195 4.8195 11.7619 11.7619 11.7621 11.7621 12.9177 12.9177 12.9188 12.9188 13.5903 13.5903 k =-0.5000 0.3081 0.5386 ( 4288 PWs) bands (ev): -12.9139 -12.9139 -12.9139 -12.9139 -10.5699 -10.5699 -10.5699 -10.5699 -8.9527 -8.9527 -8.9527 -8.9527 -2.7091 -2.7091 -2.7091 -2.7091 -1.4459 -1.4459 -1.4459 -1.4459 0.6505 0.6505 0.6505 0.6505 0.9527 0.9527 0.9527 0.9527 1.7706 1.7706 1.7706 1.7706 2.6328 2.6328 2.6328 2.6328 3.3734 3.3734 3.3734 3.3734 4.1564 4.1564 4.1564 4.1564 4.8172 4.8172 4.8172 4.8172 11.7627 11.7627 11.7627 11.7627 12.9187 12.9187 12.9187 12.9187 13.5915 13.5915 Writing output data file Si2N2O.save init_run : 3.45s CPU 13.63s WALL ( 1 calls) electrons : 1268.35s CPU 1278.51s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.32s CPU 1.49s WALL ( 1 calls) Called by electrons: c_bands : 1268.32s CPU 1278.21s WALL ( 1 calls) v_of_rho : 0.09s CPU 1.01s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.09s CPU 0.65s WALL ( 1 calls) newd : 0.36s CPU 0.60s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.11s WALL ( 374 calls) cegterg : 1168.50s CPU 1175.43s WALL ( 1212 calls) Called by sum_band: Called by *egterg: h_psi : 418.96s CPU 432.15s WALL ( 22691 calls) s_psi : 67.07s CPU 67.37s WALL ( 22691 calls) g_psi : 0.98s CPU 1.05s WALL ( 21105 calls) cdiaghg : 529.14s CPU 524.01s WALL ( 21479 calls) cegterg:over : 87.04s CPU 83.34s WALL ( 21105 calls) cegterg:upda : 20.08s CPU 26.07s WALL ( 21105 calls) cegterg:last : 15.94s CPU 16.99s WALL ( 2716 calls) Called by h_psi: h_psi:vloc : 279.89s CPU 290.45s WALL ( 22691 calls) h_psi:vnl : 138.58s CPU 140.43s WALL ( 22691 calls) add_vuspsi : 50.48s CPU 57.25s WALL ( 22691 calls) General routines calbec : 88.01s CPU 83.02s WALL ( 22691 calls) fft : 0.35s CPU 1.00s WALL ( 19 calls) ffts : 0.00s CPU 0.04s WALL ( 4 calls) fftw : 263.14s CPU 269.17s WALL ( 1797736 calls) interpolate : 0.04s CPU 0.08s WALL ( 4 calls) davcio : 0.02s CPU 3.74s WALL ( 748 calls) Parallel routines fft_scatter : 167.70s CPU 168.94s WALL ( 1797759 calls) PWSCF : 22m39.74s CPU 25m47.28s WALL This run was terminated on: 17:43:26 24Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=