Program PWSCF v.5.1.1 starts on 24Nov2015 at 17:19:11 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 1610 707 110 Max 47 27 9 1614 717 114 Sum 2223 1295 379 77375 34213 5411 bravais-lattice index = 14 lattice parameter (alat) = 9.8135 a.u. unit-cell volume = 785.7466 (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)= 9.813457 celldm(2)= 1.000000 celldm(3)= 0.929895 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.447882 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.447882 0.894092 0.000000 ) a(3) = ( 0.000000 0.000000 0.929895 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.500935 -0.000000 ) b(2) = ( 0.000000 1.118453 -0.000000 ) b(3) = ( 0.000000 0.000000 1.075390 ) 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 ) ( -0.4649476 ) 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) = ( 0.0086333 0.0139807 -0.0000000), wk = 0.0026738 k( 3) = ( 0.0172666 0.0279613 -0.0000000), wk = 0.0026738 k( 4) = ( 0.0258999 0.0419420 -0.0000000), wk = 0.0026738 k( 5) = ( 0.0345332 0.0559226 -0.0000000), wk = 0.0026738 k( 6) = ( 0.0431665 0.0699033 -0.0000000), wk = 0.0026738 k( 7) = ( 0.0517998 0.0838839 -0.0000000), wk = 0.0026738 k( 8) = ( 0.0604331 0.0978646 -0.0000000), wk = 0.0026738 k( 9) = ( 0.0690664 0.1118453 -0.0000000), wk = 0.0026738 k( 10) = ( 0.0776997 0.1258259 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0863330 0.1398066 -0.0000000), wk = 0.0026738 k( 12) = ( 0.0949663 0.1537872 -0.0000000), wk = 0.0026738 k( 13) = ( 0.1035996 0.1677679 -0.0000000), wk = 0.0026738 k( 14) = ( 0.1122329 0.1817485 -0.0000000), wk = 0.0026738 k( 15) = ( 0.1208662 0.1957292 -0.0000000), wk = 0.0026738 k( 16) = ( 0.1294995 0.2097099 -0.0000000), wk = 0.0026738 k( 17) = ( 0.1381328 0.2236905 -0.0000000), wk = 0.0026738 k( 18) = ( 0.1467661 0.2376712 -0.0000000), wk = 0.0026738 k( 19) = ( 0.1553993 0.2516518 -0.0000000), wk = 0.0026738 k( 20) = ( 0.1640327 0.2656325 -0.0000000), wk = 0.0026738 k( 21) = ( 0.1726660 0.2796132 -0.0000000), wk = 0.0026738 k( 22) = ( 0.1812992 0.2935938 -0.0000000), wk = 0.0026738 k( 23) = ( 0.1899325 0.3075745 -0.0000000), wk = 0.0026738 k( 24) = ( 0.1985658 0.3215551 -0.0000000), wk = 0.0026738 k( 25) = ( 0.2071991 0.3355358 -0.0000000), wk = 0.0026738 k( 26) = ( 0.2158324 0.3495164 -0.0000000), wk = 0.0026738 k( 27) = ( 0.2244657 0.3634971 -0.0000000), wk = 0.0026738 k( 28) = ( 0.2330990 0.3774778 -0.0000000), wk = 0.0026738 k( 29) = ( 0.2417323 0.3914584 -0.0000000), wk = 0.0026738 k( 30) = ( 0.2503656 0.4054391 -0.0000000), wk = 0.0026738 k( 31) = ( 0.2589989 0.4194197 -0.0000000), wk = 0.0026738 k( 32) = ( 0.2676322 0.4334004 -0.0000000), wk = 0.0026738 k( 33) = ( 0.2762655 0.4473810 -0.0000000), wk = 0.0026738 k( 34) = ( 0.2848988 0.4613617 -0.0000000), wk = 0.0026738 k( 35) = ( 0.2935321 0.4753424 -0.0000000), wk = 0.0026738 k( 36) = ( 0.3021654 0.4893230 -0.0000000), wk = 0.0026738 k( 37) = ( 0.3107987 0.5033037 -0.0000000), wk = 0.0026738 k( 38) = ( 0.3194320 0.5172843 -0.0000000), wk = 0.0026738 k( 39) = ( 0.3280653 0.5312650 -0.0000000), wk = 0.0026738 k( 40) = ( 0.3366986 0.5452456 -0.0000000), wk = 0.0026738 k( 41) = ( 0.3453319 0.5592263 -0.0000000), wk = 0.0026738 k( 42) = ( 0.3453319 0.5592263 -0.0000000), wk = 0.0026738 k( 43) = ( 0.3288875 0.5592263 -0.0000000), wk = 0.0026738 k( 44) = ( 0.3124431 0.5592263 -0.0000000), wk = 0.0026738 k( 45) = ( 0.2959988 0.5592263 -0.0000000), wk = 0.0026738 k( 46) = ( 0.2795544 0.5592263 -0.0000000), wk = 0.0026738 k( 47) = ( 0.2631100 0.5592263 -0.0000000), wk = 0.0026738 k( 48) = ( 0.2466656 0.5592263 -0.0000000), wk = 0.0026738 k( 49) = ( 0.2302213 0.5592263 -0.0000000), wk = 0.0026738 k( 50) = ( 0.2137769 0.5592263 -0.0000000), wk = 0.0026738 k( 51) = ( 0.1973325 0.5592263 -0.0000000), wk = 0.0026738 k( 52) = ( 0.1808881 0.5592263 -0.0000000), wk = 0.0026738 k( 53) = ( 0.1644438 0.5592263 -0.0000000), wk = 0.0026738 k( 54) = ( 0.1479994 0.5592263 -0.0000000), wk = 0.0026738 k( 55) = ( 0.1315550 0.5592263 -0.0000000), wk = 0.0026738 k( 56) = ( 0.1151106 0.5592263 -0.0000000), wk = 0.0026738 k( 57) = ( 0.0986662 0.5592263 -0.0000000), wk = 0.0026738 k( 58) = ( 0.0822219 0.5592263 -0.0000000), wk = 0.0026738 k( 59) = ( 0.0657775 0.5592263 -0.0000000), wk = 0.0026738 k( 60) = ( 0.0493331 0.5592263 -0.0000000), wk = 0.0026738 k( 61) = ( 0.0328888 0.5592263 -0.0000000), wk = 0.0026738 k( 62) = ( 0.0164444 0.5592263 -0.0000000), wk = 0.0026738 k( 63) = ( 0.0000000 0.5592263 -0.0000000), wk = 0.0026738 k( 64) = ( 0.0000000 0.5592263 -0.0000000), wk = 0.0026738 k( 65) = ( 0.0000000 0.5592263 0.0162938), wk = 0.0026738 k( 66) = ( 0.0000000 0.5592263 0.0325876), wk = 0.0026738 k( 67) = ( 0.0000000 0.5592263 0.0488814), wk = 0.0026738 k( 68) = ( 0.0000000 0.5592263 0.0651752), wk = 0.0026738 k( 69) = ( 0.0000000 0.5592263 0.0814689), wk = 0.0026738 k( 70) = ( 0.0000000 0.5592263 0.0977627), wk = 0.0026738 k( 71) = ( 0.0000000 0.5592263 0.1140565), wk = 0.0026738 k( 72) = ( 0.0000000 0.5592263 0.1303503), wk = 0.0026738 k( 73) = ( 0.0000000 0.5592263 0.1466441), wk = 0.0026738 k( 74) = ( 0.0000000 0.5592263 0.1629379), wk = 0.0026738 k( 75) = ( 0.0000000 0.5592263 0.1792317), wk = 0.0026738 k( 76) = ( 0.0000000 0.5592263 0.1955255), wk = 0.0026738 k( 77) = ( 0.0000000 0.5592263 0.2118192), wk = 0.0026738 k( 78) = ( 0.0000000 0.5592263 0.2281130), wk = 0.0026738 k( 79) = ( 0.0000000 0.5592263 0.2444068), wk = 0.0026738 k( 80) = ( 0.0000000 0.5592263 0.2607006), wk = 0.0026738 k( 81) = ( 0.0000000 0.5592263 0.2769944), wk = 0.0026738 k( 82) = ( 0.0000000 0.5592263 0.2932882), wk = 0.0026738 k( 83) = ( 0.0000000 0.5592263 0.3095820), wk = 0.0026738 k( 84) = ( 0.0000000 0.5592263 0.3258758), wk = 0.0026738 k( 85) = ( 0.0000000 0.5592263 0.3421695), wk = 0.0026738 k( 86) = ( 0.0000000 0.5592263 0.3584633), wk = 0.0026738 k( 87) = ( 0.0000000 0.5592263 0.3747571), wk = 0.0026738 k( 88) = ( 0.0000000 0.5592263 0.3910509), wk = 0.0026738 k( 89) = ( 0.0000000 0.5592263 0.4073447), wk = 0.0026738 k( 90) = ( 0.0000000 0.5592263 0.4236385), wk = 0.0026738 k( 91) = ( 0.0000000 0.5592263 0.4399323), wk = 0.0026738 k( 92) = ( 0.0000000 0.5592263 0.4562261), wk = 0.0026738 k( 93) = ( 0.0000000 0.5592263 0.4725198), wk = 0.0026738 k( 94) = ( 0.0000000 0.5592263 0.4888136), wk = 0.0026738 k( 95) = ( 0.0000000 0.5592263 0.5051074), wk = 0.0026738 k( 96) = ( 0.0000000 0.5592263 0.5214012), wk = 0.0026738 k( 97) = ( 0.0000000 0.5592263 0.5376950), wk = 0.0026738 k( 98) = ( 0.0000000 0.5592263 0.5376950), wk = 0.0026738 k( 99) = ( 0.0164444 0.5592263 0.5376950), wk = 0.0026738 k( 100) = ( 0.0328888 0.5592263 0.5376950), wk = 0.0026738 k( 101) = ( 0.0493331 0.5592263 0.5376950), wk = 0.0026738 k( 102) = ( 0.0657775 0.5592263 0.5376950), wk = 0.0026738 k( 103) = ( 0.0822219 0.5592263 0.5376950), wk = 0.0026738 k( 104) = ( 0.0986662 0.5592263 0.5376950), wk = 0.0026738 k( 105) = ( 0.1151106 0.5592263 0.5376950), wk = 0.0026738 k( 106) = ( 0.1315550 0.5592263 0.5376950), wk = 0.0026738 k( 107) = ( 0.1479994 0.5592263 0.5376950), wk = 0.0026738 k( 108) = ( 0.1644438 0.5592263 0.5376950), wk = 0.0026738 k( 109) = ( 0.1808881 0.5592263 0.5376950), wk = 0.0026738 k( 110) = ( 0.1973325 0.5592263 0.5376950), wk = 0.0026738 k( 111) = ( 0.2137769 0.5592263 0.5376950), wk = 0.0026738 k( 112) = ( 0.2302213 0.5592263 0.5376950), wk = 0.0026738 k( 113) = ( 0.2466656 0.5592263 0.5376950), wk = 0.0026738 k( 114) = ( 0.2631100 0.5592263 0.5376950), wk = 0.0026738 k( 115) = ( 0.2795544 0.5592263 0.5376950), wk = 0.0026738 k( 116) = ( 0.2959988 0.5592263 0.5376950), wk = 0.0026738 k( 117) = ( 0.3124431 0.5592263 0.5376950), wk = 0.0026738 k( 118) = ( 0.3288875 0.5592263 0.5376950), wk = 0.0026738 k( 119) = ( 0.3453319 0.5592263 0.5376950), wk = 0.0026738 k( 120) = ( 0.3453319 0.5592263 0.5376950), wk = 0.0026738 k( 121) = ( 0.3366986 0.5452456 0.5376950), wk = 0.0026738 k( 122) = ( 0.3280653 0.5312650 0.5376950), wk = 0.0026738 k( 123) = ( 0.3194320 0.5172843 0.5376950), wk = 0.0026738 k( 124) = ( 0.3107987 0.5033037 0.5376950), wk = 0.0026738 k( 125) = ( 0.3021654 0.4893230 0.5376950), wk = 0.0026738 k( 126) = ( 0.2935321 0.4753424 0.5376950), wk = 0.0026738 k( 127) = ( 0.2848988 0.4613617 0.5376950), wk = 0.0026738 k( 128) = ( 0.2762655 0.4473810 0.5376950), wk = 0.0026738 k( 129) = ( 0.2676322 0.4334004 0.5376950), wk = 0.0026738 k( 130) = ( 0.2589989 0.4194197 0.5376950), wk = 0.0026738 k( 131) = ( 0.2503656 0.4054391 0.5376950), wk = 0.0026738 k( 132) = ( 0.2417323 0.3914584 0.5376950), wk = 0.0026738 k( 133) = ( 0.2330990 0.3774778 0.5376950), wk = 0.0026738 k( 134) = ( 0.2244657 0.3634971 0.5376950), wk = 0.0026738 k( 135) = ( 0.2158324 0.3495164 0.5376950), wk = 0.0026738 k( 136) = ( 0.2071991 0.3355358 0.5376950), wk = 0.0026738 k( 137) = ( 0.1985658 0.3215551 0.5376950), wk = 0.0026738 k( 138) = ( 0.1899325 0.3075745 0.5376950), wk = 0.0026738 k( 139) = ( 0.1812992 0.2935938 0.5376950), wk = 0.0026738 k( 140) = ( 0.1726660 0.2796132 0.5376950), wk = 0.0026738 k( 141) = ( 0.1640327 0.2656325 0.5376950), wk = 0.0026738 k( 142) = ( 0.1553993 0.2516518 0.5376950), wk = 0.0026738 k( 143) = ( 0.1467661 0.2376712 0.5376950), wk = 0.0026738 k( 144) = ( 0.1381328 0.2236905 0.5376950), wk = 0.0026738 k( 145) = ( 0.1294995 0.2097099 0.5376950), wk = 0.0026738 k( 146) = ( 0.1208662 0.1957292 0.5376950), wk = 0.0026738 k( 147) = ( 0.1122329 0.1817485 0.5376950), wk = 0.0026738 k( 148) = ( 0.1035996 0.1677679 0.5376950), wk = 0.0026738 k( 149) = ( 0.0949663 0.1537872 0.5376950), wk = 0.0026738 k( 150) = ( 0.0863330 0.1398066 0.5376950), wk = 0.0026738 k( 151) = ( 0.0776997 0.1258259 0.5376950), wk = 0.0026738 k( 152) = ( 0.0690664 0.1118453 0.5376950), wk = 0.0026738 k( 153) = ( 0.0604331 0.0978646 0.5376950), wk = 0.0026738 k( 154) = ( 0.0517998 0.0838839 0.5376950), wk = 0.0026738 k( 155) = ( 0.0431665 0.0699033 0.5376950), wk = 0.0026738 k( 156) = ( 0.0345332 0.0559226 0.5376950), wk = 0.0026738 k( 157) = ( 0.0258999 0.0419420 0.5376950), wk = 0.0026738 k( 158) = ( 0.0172666 0.0279613 0.5376950), wk = 0.0026738 k( 159) = ( 0.0086333 0.0139807 0.5376950), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.5376950), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.5376950), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.5214012), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.5051074), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.4888136), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.4725198), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.4562261), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.4399323), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.4236385), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.4073447), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.3910509), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.3747571), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.3584633), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.3421695), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.3258758), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.3095820), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.2932882), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.2769944), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.2607006), wk = 0.0026738 k( 179) = ( 0.0000000 0.0000000 0.2444068), wk = 0.0026738 k( 180) = ( 0.0000000 0.0000000 0.2281130), wk = 0.0026738 k( 181) = ( 0.0000000 0.0000000 0.2118192), wk = 0.0026738 k( 182) = ( 0.0000000 0.0000000 0.1955255), wk = 0.0026738 k( 183) = ( 0.0000000 0.0000000 0.1792317), wk = 0.0026738 k( 184) = ( 0.0000000 0.0000000 0.1629379), wk = 0.0026738 k( 185) = ( 0.0000000 0.0000000 0.1466441), wk = 0.0026738 k( 186) = ( 0.0000000 0.0000000 0.1303503), wk = 0.0026738 k( 187) = ( 0.0000000 0.0000000 0.1140565), wk = 0.0026738 k( 188) = ( 0.0000000 0.0000000 0.0977627), wk = 0.0026738 k( 189) = ( 0.0000000 0.0000000 0.0814689), wk = 0.0026738 k( 190) = ( 0.0000000 0.0000000 0.0651752), wk = 0.0026738 k( 191) = ( 0.0000000 0.0000000 0.0488814), wk = 0.0026738 k( 192) = ( 0.0000000 0.0000000 0.0325876), wk = 0.0026738 k( 193) = ( 0.0000000 0.0000000 0.0162938), 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 0.0085766 0.0000000), wk = 0.0026738 k( 197) = ( -0.0277778 0.0171533 0.0000000), wk = 0.0026738 k( 198) = ( -0.0416667 0.0257299 0.0000000), wk = 0.0026738 k( 199) = ( -0.0555556 0.0343065 0.0000000), wk = 0.0026738 k( 200) = ( -0.0694444 0.0428831 0.0000000), wk = 0.0026738 k( 201) = ( -0.0833333 0.0514598 0.0000000), wk = 0.0026738 k( 202) = ( -0.0972222 0.0600364 0.0000000), wk = 0.0026738 k( 203) = ( -0.1111111 0.0686130 0.0000000), wk = 0.0026738 k( 204) = ( -0.1250000 0.0771897 0.0000000), wk = 0.0026738 k( 205) = ( -0.1388889 0.0857663 0.0000000), wk = 0.0026738 k( 206) = ( -0.1527778 0.0943429 0.0000000), wk = 0.0026738 k( 207) = ( -0.1666667 0.1029195 0.0000000), wk = 0.0026738 k( 208) = ( -0.1805556 0.1114962 0.0000000), wk = 0.0026738 k( 209) = ( -0.1944444 0.1200728 0.0000000), wk = 0.0026738 k( 210) = ( -0.2083333 0.1286494 0.0000000), wk = 0.0026738 k( 211) = ( -0.2222222 0.1372261 0.0000000), wk = 0.0026738 k( 212) = ( -0.2361111 0.1458027 0.0000000), wk = 0.0026738 k( 213) = ( -0.2500000 0.1543793 0.0000000), wk = 0.0026738 k( 214) = ( -0.2638889 0.1629559 0.0000000), wk = 0.0026738 k( 215) = ( -0.2777778 0.1715326 0.0000000), wk = 0.0026738 k( 216) = ( -0.2916667 0.1801092 0.0000000), wk = 0.0026738 k( 217) = ( -0.3055556 0.1886858 0.0000000), wk = 0.0026738 k( 218) = ( -0.3194444 0.1972625 0.0000000), wk = 0.0026738 k( 219) = ( -0.3333333 0.2058391 0.0000000), wk = 0.0026738 k( 220) = ( -0.3472222 0.2144157 0.0000000), wk = 0.0026738 k( 221) = ( -0.3611111 0.2229923 0.0000000), wk = 0.0026738 k( 222) = ( -0.3750000 0.2315690 0.0000000), wk = 0.0026738 k( 223) = ( -0.3888889 0.2401456 0.0000000), wk = 0.0026738 k( 224) = ( -0.4027778 0.2487222 0.0000000), wk = 0.0026738 k( 225) = ( -0.4166667 0.2572989 0.0000000), wk = 0.0026738 k( 226) = ( -0.4305556 0.2658755 0.0000000), wk = 0.0026738 k( 227) = ( -0.4444444 0.2744521 0.0000000), wk = 0.0026738 k( 228) = ( -0.4583333 0.2830287 0.0000000), wk = 0.0026738 k( 229) = ( -0.4722222 0.2916054 0.0000000), wk = 0.0026738 k( 230) = ( -0.4861111 0.3001820 0.0000000), wk = 0.0026738 k( 231) = ( -0.5000000 0.3087586 0.0000000), wk = 0.0026738 k( 232) = ( -0.5000000 0.3087586 0.0000000), wk = 0.0026738 k( 233) = ( -0.4914073 0.3226735 -0.0000000), wk = 0.0026738 k( 234) = ( -0.4828147 0.3365884 -0.0000000), wk = 0.0026738 k( 235) = ( -0.4742220 0.3505032 -0.0000000), wk = 0.0026738 k( 236) = ( -0.4656293 0.3644181 -0.0000000), wk = 0.0026738 k( 237) = ( -0.4570366 0.3783330 -0.0000000), wk = 0.0026738 k( 238) = ( -0.4484440 0.3922479 -0.0000000), wk = 0.0026738 k( 239) = ( -0.4398513 0.4061627 -0.0000000), wk = 0.0026738 k( 240) = ( -0.4312586 0.4200776 -0.0000000), wk = 0.0026738 k( 241) = ( -0.4226660 0.4339925 -0.0000000), wk = 0.0026738 k( 242) = ( -0.4140733 0.4479073 -0.0000000), wk = 0.0026738 k( 243) = ( -0.4054806 0.4618222 -0.0000000), wk = 0.0026738 k( 244) = ( -0.3968879 0.4757371 -0.0000000), wk = 0.0026738 k( 245) = ( -0.3882952 0.4896520 -0.0000000), wk = 0.0026738 k( 246) = ( -0.3797026 0.5035668 -0.0000000), wk = 0.0026738 k( 247) = ( -0.3711099 0.5174817 -0.0000000), wk = 0.0026738 k( 248) = ( -0.3625172 0.5313966 -0.0000000), wk = 0.0026738 k( 249) = ( -0.3539246 0.5453114 -0.0000000), wk = 0.0026738 k( 250) = ( -0.3453319 0.5592263 -0.0000000), wk = 0.0026738 k( 251) = ( -0.3453319 0.5592263 -0.0000000), wk = 0.0026738 k( 252) = ( -0.3453319 0.5592263 0.0162938), wk = 0.0026738 k( 253) = ( -0.3453319 0.5592263 0.0325876), wk = 0.0026738 k( 254) = ( -0.3453319 0.5592263 0.0488814), wk = 0.0026738 k( 255) = ( -0.3453319 0.5592263 0.0651752), wk = 0.0026738 k( 256) = ( -0.3453319 0.5592263 0.0814689), wk = 0.0026738 k( 257) = ( -0.3453319 0.5592263 0.0977627), wk = 0.0026738 k( 258) = ( -0.3453319 0.5592263 0.1140565), wk = 0.0026738 k( 259) = ( -0.3453319 0.5592263 0.1303503), wk = 0.0026738 k( 260) = ( -0.3453319 0.5592263 0.1466441), wk = 0.0026738 k( 261) = ( -0.3453319 0.5592263 0.1629379), wk = 0.0026738 k( 262) = ( -0.3453319 0.5592263 0.1792317), wk = 0.0026738 k( 263) = ( -0.3453319 0.5592263 0.1955255), wk = 0.0026738 k( 264) = ( -0.3453319 0.5592263 0.2118192), wk = 0.0026738 k( 265) = ( -0.3453319 0.5592263 0.2281130), wk = 0.0026738 k( 266) = ( -0.3453319 0.5592263 0.2444068), wk = 0.0026738 k( 267) = ( -0.3453319 0.5592263 0.2607006), wk = 0.0026738 k( 268) = ( -0.3453319 0.5592263 0.2769944), wk = 0.0026738 k( 269) = ( -0.3453319 0.5592263 0.2932882), wk = 0.0026738 k( 270) = ( -0.3453319 0.5592263 0.3095820), wk = 0.0026738 k( 271) = ( -0.3453319 0.5592263 0.3258758), wk = 0.0026738 k( 272) = ( -0.3453319 0.5592263 0.3421695), wk = 0.0026738 k( 273) = ( -0.3453319 0.5592263 0.3584633), wk = 0.0026738 k( 274) = ( -0.3453319 0.5592263 0.3747571), wk = 0.0026738 k( 275) = ( -0.3453319 0.5592263 0.3910509), wk = 0.0026738 k( 276) = ( -0.3453319 0.5592263 0.4073447), wk = 0.0026738 k( 277) = ( -0.3453319 0.5592263 0.4236385), wk = 0.0026738 k( 278) = ( -0.3453319 0.5592263 0.4399323), wk = 0.0026738 k( 279) = ( -0.3453319 0.5592263 0.4562261), wk = 0.0026738 k( 280) = ( -0.3453319 0.5592263 0.4725198), wk = 0.0026738 k( 281) = ( -0.3453319 0.5592263 0.4888136), wk = 0.0026738 k( 282) = ( -0.3453319 0.5592263 0.5051074), wk = 0.0026738 k( 283) = ( -0.3453319 0.5592263 0.5214012), wk = 0.0026738 k( 284) = ( -0.3453319 0.5592263 0.5376950), wk = 0.0026738 k( 285) = ( -0.3453319 0.5592263 0.5376950), wk = 0.0026738 k( 286) = ( -0.3539246 0.5453114 0.5376950), wk = 0.0026738 k( 287) = ( -0.3625172 0.5313966 0.5376950), wk = 0.0026738 k( 288) = ( -0.3711099 0.5174817 0.5376950), wk = 0.0026738 k( 289) = ( -0.3797026 0.5035668 0.5376950), wk = 0.0026738 k( 290) = ( -0.3882952 0.4896520 0.5376950), wk = 0.0026738 k( 291) = ( -0.3968879 0.4757371 0.5376950), wk = 0.0026738 k( 292) = ( -0.4054806 0.4618222 0.5376950), wk = 0.0026738 k( 293) = ( -0.4140733 0.4479073 0.5376950), wk = 0.0026738 k( 294) = ( -0.4226660 0.4339925 0.5376950), wk = 0.0026738 k( 295) = ( -0.4312586 0.4200776 0.5376950), wk = 0.0026738 k( 296) = ( -0.4398513 0.4061627 0.5376950), wk = 0.0026738 k( 297) = ( -0.4484440 0.3922479 0.5376950), wk = 0.0026738 k( 298) = ( -0.4570366 0.3783330 0.5376950), wk = 0.0026738 k( 299) = ( -0.4656293 0.3644181 0.5376950), wk = 0.0026738 k( 300) = ( -0.4742220 0.3505032 0.5376950), wk = 0.0026738 k( 301) = ( -0.4828147 0.3365884 0.5376950), wk = 0.0026738 k( 302) = ( -0.4914073 0.3226735 0.5376950), wk = 0.0026738 k( 303) = ( -0.5000000 0.3087586 0.5376950), wk = 0.0026738 k( 304) = ( -0.5000000 0.3087586 0.5376950), wk = 0.0026738 k( 305) = ( -0.5000000 0.3087586 0.5214012), wk = 0.0026738 k( 306) = ( -0.5000000 0.3087586 0.5051074), wk = 0.0026738 k( 307) = ( -0.5000000 0.3087586 0.4888136), wk = 0.0026738 k( 308) = ( -0.5000000 0.3087586 0.4725198), wk = 0.0026738 k( 309) = ( -0.5000000 0.3087586 0.4562261), wk = 0.0026738 k( 310) = ( -0.5000000 0.3087586 0.4399323), wk = 0.0026738 k( 311) = ( -0.5000000 0.3087586 0.4236385), wk = 0.0026738 k( 312) = ( -0.5000000 0.3087586 0.4073447), wk = 0.0026738 k( 313) = ( -0.5000000 0.3087586 0.3910509), wk = 0.0026738 k( 314) = ( -0.5000000 0.3087586 0.3747571), wk = 0.0026738 k( 315) = ( -0.5000000 0.3087586 0.3584633), wk = 0.0026738 k( 316) = ( -0.5000000 0.3087586 0.3421695), wk = 0.0026738 k( 317) = ( -0.5000000 0.3087586 0.3258758), wk = 0.0026738 k( 318) = ( -0.5000000 0.3087586 0.3095820), wk = 0.0026738 k( 319) = ( -0.5000000 0.3087586 0.2932882), wk = 0.0026738 k( 320) = ( -0.5000000 0.3087586 0.2769944), wk = 0.0026738 k( 321) = ( -0.5000000 0.3087586 0.2607006), wk = 0.0026738 k( 322) = ( -0.5000000 0.3087586 0.2444068), wk = 0.0026738 k( 323) = ( -0.5000000 0.3087586 0.2281130), wk = 0.0026738 k( 324) = ( -0.5000000 0.3087586 0.2118192), wk = 0.0026738 k( 325) = ( -0.5000000 0.3087586 0.1955255), wk = 0.0026738 k( 326) = ( -0.5000000 0.3087586 0.1792317), wk = 0.0026738 k( 327) = ( -0.5000000 0.3087586 0.1629379), wk = 0.0026738 k( 328) = ( -0.5000000 0.3087586 0.1466441), wk = 0.0026738 k( 329) = ( -0.5000000 0.3087586 0.1303503), wk = 0.0026738 k( 330) = ( -0.5000000 0.3087586 0.1140565), wk = 0.0026738 k( 331) = ( -0.5000000 0.3087586 0.0977627), wk = 0.0026738 k( 332) = ( -0.5000000 0.3087586 0.0814689), wk = 0.0026738 k( 333) = ( -0.5000000 0.3087586 0.0651752), wk = 0.0026738 k( 334) = ( -0.5000000 0.3087586 0.0488814), wk = 0.0026738 k( 335) = ( -0.5000000 0.3087586 0.0325876), wk = 0.0026738 k( 336) = ( -0.5000000 0.3087586 0.0162938), wk = 0.0026738 k( 337) = ( -0.5000000 0.3087586 0.0000000), wk = 0.0026738 k( 338) = ( 0.0000000 0.0000000 0.5376950), wk = 0.0026738 k( 339) = ( -0.0138889 0.0085766 0.5376950), wk = 0.0026738 k( 340) = ( -0.0277778 0.0171533 0.5376950), wk = 0.0026738 k( 341) = ( -0.0416667 0.0257299 0.5376950), wk = 0.0026738 k( 342) = ( -0.0555556 0.0343065 0.5376950), wk = 0.0026738 k( 343) = ( -0.0694444 0.0428831 0.5376950), wk = 0.0026738 k( 344) = ( -0.0833333 0.0514598 0.5376950), wk = 0.0026738 k( 345) = ( -0.0972222 0.0600364 0.5376950), wk = 0.0026738 k( 346) = ( -0.1111111 0.0686130 0.5376950), wk = 0.0026738 k( 347) = ( -0.1250000 0.0771897 0.5376950), wk = 0.0026738 k( 348) = ( -0.1388889 0.0857663 0.5376950), wk = 0.0026738 k( 349) = ( -0.1527778 0.0943429 0.5376950), wk = 0.0026738 k( 350) = ( -0.1666667 0.1029195 0.5376950), wk = 0.0026738 k( 351) = ( -0.1805556 0.1114962 0.5376950), wk = 0.0026738 k( 352) = ( -0.1944444 0.1200728 0.5376950), wk = 0.0026738 k( 353) = ( -0.2083333 0.1286494 0.5376950), wk = 0.0026738 k( 354) = ( -0.2222222 0.1372261 0.5376950), wk = 0.0026738 k( 355) = ( -0.2361111 0.1458027 0.5376950), wk = 0.0026738 k( 356) = ( -0.2500000 0.1543793 0.5376950), wk = 0.0026738 k( 357) = ( -0.2638889 0.1629559 0.5376950), wk = 0.0026738 k( 358) = ( -0.2777778 0.1715326 0.5376950), wk = 0.0026738 k( 359) = ( -0.2916667 0.1801092 0.5376950), wk = 0.0026738 k( 360) = ( -0.3055556 0.1886858 0.5376950), wk = 0.0026738 k( 361) = ( -0.3194444 0.1972625 0.5376950), wk = 0.0026738 k( 362) = ( -0.3333333 0.2058391 0.5376950), wk = 0.0026738 k( 363) = ( -0.3472222 0.2144157 0.5376950), wk = 0.0026738 k( 364) = ( -0.3611111 0.2229923 0.5376950), wk = 0.0026738 k( 365) = ( -0.3750000 0.2315690 0.5376950), wk = 0.0026738 k( 366) = ( -0.3888889 0.2401456 0.5376950), wk = 0.0026738 k( 367) = ( -0.4027778 0.2487222 0.5376950), wk = 0.0026738 k( 368) = ( -0.4166667 0.2572989 0.5376950), wk = 0.0026738 k( 369) = ( -0.4305556 0.2658755 0.5376950), wk = 0.0026738 k( 370) = ( -0.4444444 0.2744521 0.5376950), wk = 0.0026738 k( 371) = ( -0.4583333 0.2830287 0.5376950), wk = 0.0026738 k( 372) = ( -0.4722222 0.2916054 0.5376950), wk = 0.0026738 k( 373) = ( -0.4861111 0.3001820 0.5376950), wk = 0.0026738 k( 374) = ( -0.5000000 0.3087586 0.5376950), wk = 0.0026738 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0086333 0.0086333 0.0000000), wk = 0.0026738 k( 3) = ( 0.0172666 0.0172666 0.0000000), wk = 0.0026738 k( 4) = ( 0.0258999 0.0258999 0.0000000), wk = 0.0026738 k( 5) = ( 0.0345332 0.0345332 0.0000000), wk = 0.0026738 k( 6) = ( 0.0431665 0.0431665 0.0000000), wk = 0.0026738 k( 7) = ( 0.0517998 0.0517998 0.0000000), wk = 0.0026738 k( 8) = ( 0.0604331 0.0604331 0.0000000), wk = 0.0026738 k( 9) = ( 0.0690664 0.0690664 0.0000000), wk = 0.0026738 k( 10) = ( 0.0776997 0.0776997 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0863330 0.0863330 0.0000000), wk = 0.0026738 k( 12) = ( 0.0949663 0.0949663 0.0000000), wk = 0.0026738 k( 13) = ( 0.1035996 0.1035996 0.0000000), wk = 0.0026738 k( 14) = ( 0.1122329 0.1122329 0.0000000), wk = 0.0026738 k( 15) = ( 0.1208662 0.1208662 0.0000000), wk = 0.0026738 k( 16) = ( 0.1294995 0.1294995 0.0000000), wk = 0.0026738 k( 17) = ( 0.1381328 0.1381328 0.0000000), wk = 0.0026738 k( 18) = ( 0.1467661 0.1467661 -0.0000000), wk = 0.0026738 k( 19) = ( 0.1553993 0.1553994 0.0000000), wk = 0.0026738 k( 20) = ( 0.1640327 0.1640327 -0.0000000), wk = 0.0026738 k( 21) = ( 0.1726660 0.1726660 0.0000000), wk = 0.0026738 k( 22) = ( 0.1812992 0.1812992 0.0000000), wk = 0.0026738 k( 23) = ( 0.1899325 0.1899325 0.0000000), wk = 0.0026738 k( 24) = ( 0.1985658 0.1985658 0.0000000), wk = 0.0026738 k( 25) = ( 0.2071991 0.2071991 0.0000000), wk = 0.0026738 k( 26) = ( 0.2158324 0.2158324 0.0000000), wk = 0.0026738 k( 27) = ( 0.2244657 0.2244657 0.0000000), wk = 0.0026738 k( 28) = ( 0.2330990 0.2330990 0.0000000), wk = 0.0026738 k( 29) = ( 0.2417323 0.2417323 0.0000000), wk = 0.0026738 k( 30) = ( 0.2503656 0.2503656 0.0000000), wk = 0.0026738 k( 31) = ( 0.2589989 0.2589989 0.0000000), wk = 0.0026738 k( 32) = ( 0.2676322 0.2676322 0.0000000), wk = 0.0026738 k( 33) = ( 0.2762655 0.2762655 0.0000000), wk = 0.0026738 k( 34) = ( 0.2848988 0.2848988 0.0000000), wk = 0.0026738 k( 35) = ( 0.2935321 0.2935321 0.0000000), wk = 0.0026738 k( 36) = ( 0.3021654 0.3021654 0.0000000), wk = 0.0026738 k( 37) = ( 0.3107987 0.3107987 0.0000000), wk = 0.0026738 k( 38) = ( 0.3194320 0.3194320 0.0000000), wk = 0.0026738 k( 39) = ( 0.3280653 0.3280653 -0.0000000), wk = 0.0026738 k( 40) = ( 0.3366986 0.3366986 0.0000000), wk = 0.0026738 k( 41) = ( 0.3453319 0.3453319 0.0000000), wk = 0.0026738 k( 42) = ( 0.3453319 0.3453319 0.0000000), wk = 0.0026738 k( 43) = ( 0.3288875 0.3526970 0.0000000), wk = 0.0026738 k( 44) = ( 0.3124431 0.3600622 0.0000000), wk = 0.0026738 k( 45) = ( 0.2959988 0.3674273 0.0000000), wk = 0.0026738 k( 46) = ( 0.2795544 0.3747925 -0.0000000), wk = 0.0026738 k( 47) = ( 0.2631100 0.3821576 0.0000000), wk = 0.0026738 k( 48) = ( 0.2466656 0.3895228 0.0000000), wk = 0.0026738 k( 49) = ( 0.2302213 0.3968879 0.0000000), wk = 0.0026738 k( 50) = ( 0.2137769 0.4042531 0.0000000), wk = 0.0026738 k( 51) = ( 0.1973325 0.4116182 0.0000000), wk = 0.0026738 k( 52) = ( 0.1808881 0.4189834 0.0000000), wk = 0.0026738 k( 53) = ( 0.1644438 0.4263485 0.0000000), wk = 0.0026738 k( 54) = ( 0.1479994 0.4337137 0.0000000), wk = 0.0026738 k( 55) = ( 0.1315550 0.4410788 0.0000000), wk = 0.0026738 k( 56) = ( 0.1151106 0.4484440 0.0000000), wk = 0.0026738 k( 57) = ( 0.0986662 0.4558091 0.0000000), wk = 0.0026738 k( 58) = ( 0.0822219 0.4631743 0.0000000), wk = 0.0026738 k( 59) = ( 0.0657775 0.4705394 0.0000000), wk = 0.0026738 k( 60) = ( 0.0493331 0.4779046 0.0000000), wk = 0.0026738 k( 61) = ( 0.0328888 0.4852697 0.0000000), wk = 0.0026738 k( 62) = ( 0.0164444 0.4926349 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 0.3484849), 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) = ( 0.0164444 0.4926349 0.5000000), wk = 0.0026738 k( 100) = ( 0.0328888 0.4852697 0.5000000), wk = 0.0026738 k( 101) = ( 0.0493331 0.4779046 0.5000000), wk = 0.0026738 k( 102) = ( 0.0657775 0.4705394 0.5000000), wk = 0.0026738 k( 103) = ( 0.0822219 0.4631743 0.5000000), wk = 0.0026738 k( 104) = ( 0.0986662 0.4558091 0.5000000), wk = 0.0026738 k( 105) = ( 0.1151106 0.4484440 0.5000000), wk = 0.0026738 k( 106) = ( 0.1315550 0.4410788 0.5000000), wk = 0.0026738 k( 107) = ( 0.1479994 0.4337137 0.5000000), wk = 0.0026738 k( 108) = ( 0.1644438 0.4263485 0.5000000), wk = 0.0026738 k( 109) = ( 0.1808881 0.4189834 0.5000000), wk = 0.0026738 k( 110) = ( 0.1973325 0.4116182 0.5000000), wk = 0.0026738 k( 111) = ( 0.2137769 0.4042531 0.5000000), wk = 0.0026738 k( 112) = ( 0.2302213 0.3968879 0.5000000), wk = 0.0026738 k( 113) = ( 0.2466656 0.3895228 0.5000000), wk = 0.0026738 k( 114) = ( 0.2631100 0.3821576 0.5000000), wk = 0.0026738 k( 115) = ( 0.2795544 0.3747925 0.5000000), wk = 0.0026738 k( 116) = ( 0.2959988 0.3674273 0.5000000), wk = 0.0026738 k( 117) = ( 0.3124431 0.3600622 0.5000000), wk = 0.0026738 k( 118) = ( 0.3288875 0.3526970 0.5000000), wk = 0.0026738 k( 119) = ( 0.3453319 0.3453319 0.5000000), wk = 0.0026738 k( 120) = ( 0.3453319 0.3453319 0.5000000), wk = 0.0026738 k( 121) = ( 0.3366986 0.3366986 0.5000000), wk = 0.0026738 k( 122) = ( 0.3280653 0.3280653 0.5000000), wk = 0.0026738 k( 123) = ( 0.3194320 0.3194320 0.5000000), wk = 0.0026738 k( 124) = ( 0.3107987 0.3107987 0.5000000), wk = 0.0026738 k( 125) = ( 0.3021654 0.3021654 0.5000000), wk = 0.0026738 k( 126) = ( 0.2935321 0.2935321 0.5000000), wk = 0.0026738 k( 127) = ( 0.2848988 0.2848988 0.5000000), wk = 0.0026738 k( 128) = ( 0.2762655 0.2762655 0.5000000), wk = 0.0026738 k( 129) = ( 0.2676322 0.2676322 0.5000000), wk = 0.0026738 k( 130) = ( 0.2589989 0.2589989 0.5000000), wk = 0.0026738 k( 131) = ( 0.2503656 0.2503656 0.5000000), wk = 0.0026738 k( 132) = ( 0.2417323 0.2417323 0.5000000), wk = 0.0026738 k( 133) = ( 0.2330990 0.2330990 0.5000000), wk = 0.0026738 k( 134) = ( 0.2244657 0.2244657 0.5000000), wk = 0.0026738 k( 135) = ( 0.2158324 0.2158324 0.5000000), wk = 0.0026738 k( 136) = ( 0.2071991 0.2071991 0.5000000), wk = 0.0026738 k( 137) = ( 0.1985658 0.1985658 0.5000000), wk = 0.0026738 k( 138) = ( 0.1899325 0.1899325 0.5000000), wk = 0.0026738 k( 139) = ( 0.1812992 0.1812992 0.5000000), wk = 0.0026738 k( 140) = ( 0.1726660 0.1726660 0.5000000), wk = 0.0026738 k( 141) = ( 0.1640327 0.1640327 0.5000000), wk = 0.0026738 k( 142) = ( 0.1553993 0.1553994 0.5000000), wk = 0.0026738 k( 143) = ( 0.1467661 0.1467661 0.5000000), wk = 0.0026738 k( 144) = ( 0.1381328 0.1381328 0.5000000), wk = 0.0026738 k( 145) = ( 0.1294995 0.1294995 0.5000000), wk = 0.0026738 k( 146) = ( 0.1208662 0.1208662 0.5000000), wk = 0.0026738 k( 147) = ( 0.1122329 0.1122329 0.5000000), wk = 0.0026738 k( 148) = ( 0.1035996 0.1035996 0.5000000), wk = 0.0026738 k( 149) = ( 0.0949663 0.0949663 0.5000000), wk = 0.0026738 k( 150) = ( 0.0863330 0.0863330 0.5000000), wk = 0.0026738 k( 151) = ( 0.0776997 0.0776997 0.5000000), wk = 0.0026738 k( 152) = ( 0.0690664 0.0690664 0.5000000), wk = 0.0026738 k( 153) = ( 0.0604331 0.0604331 0.5000000), wk = 0.0026738 k( 154) = ( 0.0517998 0.0517998 0.5000000), wk = 0.0026738 k( 155) = ( 0.0431665 0.0431665 0.5000000), wk = 0.0026738 k( 156) = ( 0.0345332 0.0345332 0.5000000), wk = 0.0026738 k( 157) = ( 0.0258999 0.0258999 0.5000000), wk = 0.0026738 k( 158) = ( 0.0172666 0.0172666 0.5000000), wk = 0.0026738 k( 159) = ( 0.0086333 0.0086333 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 0.3484849), 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 0.0454546), 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) = ( -0.4914073 0.5085927 -0.0000000), wk = 0.0026738 k( 234) = ( -0.4828147 0.5171854 0.0000000), wk = 0.0026738 k( 235) = ( -0.4742220 0.5257780 0.0000000), wk = 0.0026738 k( 236) = ( -0.4656293 0.5343707 0.0000000), wk = 0.0026738 k( 237) = ( -0.4570366 0.5429634 0.0000000), wk = 0.0026738 k( 238) = ( -0.4484440 0.5515560 0.0000000), wk = 0.0026738 k( 239) = ( -0.4398513 0.5601487 0.0000000), wk = 0.0026738 k( 240) = ( -0.4312586 0.5687414 0.0000000), wk = 0.0026738 k( 241) = ( -0.4226660 0.5773341 0.0000000), wk = 0.0026738 k( 242) = ( -0.4140733 0.5859267 0.0000000), wk = 0.0026738 k( 243) = ( -0.4054806 0.5945194 0.0000000), wk = 0.0026738 k( 244) = ( -0.3968879 0.6031121 0.0000000), wk = 0.0026738 k( 245) = ( -0.3882952 0.6117048 0.0000000), wk = 0.0026738 k( 246) = ( -0.3797026 0.6202974 0.0000000), wk = 0.0026738 k( 247) = ( -0.3711099 0.6288901 0.0000000), wk = 0.0026738 k( 248) = ( -0.3625172 0.6374828 -0.0000000), wk = 0.0026738 k( 249) = ( -0.3539246 0.6460754 0.0000000), wk = 0.0026738 k( 250) = ( -0.3453319 0.6546681 0.0000000), wk = 0.0026738 k( 251) = ( -0.3453319 0.6546681 0.0000000), wk = 0.0026738 k( 252) = ( -0.3453319 0.6546681 0.0151515), wk = 0.0026738 k( 253) = ( -0.3453319 0.6546681 0.0303030), wk = 0.0026738 k( 254) = ( -0.3453319 0.6546681 0.0454546), wk = 0.0026738 k( 255) = ( -0.3453319 0.6546681 0.0606061), wk = 0.0026738 k( 256) = ( -0.3453319 0.6546681 0.0757576), wk = 0.0026738 k( 257) = ( -0.3453319 0.6546681 0.0909091), wk = 0.0026738 k( 258) = ( -0.3453319 0.6546681 0.1060606), wk = 0.0026738 k( 259) = ( -0.3453319 0.6546681 0.1212121), wk = 0.0026738 k( 260) = ( -0.3453319 0.6546681 0.1363636), wk = 0.0026738 k( 261) = ( -0.3453319 0.6546681 0.1515151), wk = 0.0026738 k( 262) = ( -0.3453319 0.6546681 0.1666667), wk = 0.0026738 k( 263) = ( -0.3453319 0.6546681 0.1818182), wk = 0.0026738 k( 264) = ( -0.3453319 0.6546681 0.1969697), wk = 0.0026738 k( 265) = ( -0.3453319 0.6546681 0.2121212), wk = 0.0026738 k( 266) = ( -0.3453319 0.6546681 0.2272727), wk = 0.0026738 k( 267) = ( -0.3453319 0.6546681 0.2424242), wk = 0.0026738 k( 268) = ( -0.3453319 0.6546681 0.2575758), wk = 0.0026738 k( 269) = ( -0.3453319 0.6546681 0.2727273), wk = 0.0026738 k( 270) = ( -0.3453319 0.6546681 0.2878788), wk = 0.0026738 k( 271) = ( -0.3453319 0.6546681 0.3030303), wk = 0.0026738 k( 272) = ( -0.3453319 0.6546681 0.3181818), wk = 0.0026738 k( 273) = ( -0.3453319 0.6546681 0.3333333), wk = 0.0026738 k( 274) = ( -0.3453319 0.6546681 0.3484849), wk = 0.0026738 k( 275) = ( -0.3453319 0.6546681 0.3636364), wk = 0.0026738 k( 276) = ( -0.3453319 0.6546681 0.3787879), wk = 0.0026738 k( 277) = ( -0.3453319 0.6546681 0.3939394), wk = 0.0026738 k( 278) = ( -0.3453319 0.6546681 0.4090909), wk = 0.0026738 k( 279) = ( -0.3453319 0.6546681 0.4242424), wk = 0.0026738 k( 280) = ( -0.3453319 0.6546681 0.4393939), wk = 0.0026738 k( 281) = ( -0.3453319 0.6546681 0.4545454), wk = 0.0026738 k( 282) = ( -0.3453319 0.6546681 0.4696970), wk = 0.0026738 k( 283) = ( -0.3453319 0.6546681 0.4848485), wk = 0.0026738 k( 284) = ( -0.3453319 0.6546681 0.5000000), wk = 0.0026738 k( 285) = ( -0.3453319 0.6546681 0.5000000), wk = 0.0026738 k( 286) = ( -0.3539246 0.6460754 0.5000000), wk = 0.0026738 k( 287) = ( -0.3625172 0.6374828 0.5000000), wk = 0.0026738 k( 288) = ( -0.3711099 0.6288901 0.5000000), wk = 0.0026738 k( 289) = ( -0.3797026 0.6202974 0.5000000), wk = 0.0026738 k( 290) = ( -0.3882952 0.6117048 0.5000000), wk = 0.0026738 k( 291) = ( -0.3968879 0.6031121 0.5000000), wk = 0.0026738 k( 292) = ( -0.4054806 0.5945194 0.5000000), wk = 0.0026738 k( 293) = ( -0.4140733 0.5859267 0.5000000), wk = 0.0026738 k( 294) = ( -0.4226660 0.5773341 0.5000000), wk = 0.0026738 k( 295) = ( -0.4312586 0.5687414 0.5000000), wk = 0.0026738 k( 296) = ( -0.4398513 0.5601487 0.5000000), wk = 0.0026738 k( 297) = ( -0.4484440 0.5515560 0.5000000), wk = 0.0026738 k( 298) = ( -0.4570366 0.5429634 0.5000000), wk = 0.0026738 k( 299) = ( -0.4656293 0.5343707 0.5000000), wk = 0.0026738 k( 300) = ( -0.4742220 0.5257780 0.5000000), wk = 0.0026738 k( 301) = ( -0.4828147 0.5171854 0.5000000), wk = 0.0026738 k( 302) = ( -0.4914073 0.5085927 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 0.3484849), 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 0.0454546), 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: 77375 G-vectors FFT dimensions: ( 60, 60, 54) Smooth grid: 34213 G-vectors FFT dimensions: ( 45, 45, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 192, 58) NL pseudopotentials 0.32 Mb ( 96, 220) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1614) G-vector shells 0.01 Mb ( 830) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.68 Mb ( 192, 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 44.5 secs Computing kpt #: 2 total cpu time spent up to now is 47.8 secs Computing kpt #: 3 total cpu time spent up to now is 51.2 secs Computing kpt #: 4 total cpu time spent up to now is 54.5 secs Computing kpt #: 5 total cpu time spent up to now is 57.9 secs Computing kpt #: 6 total cpu time spent up to now is 60.9 secs Computing kpt #: 7 total cpu time spent up to now is 63.8 secs Computing kpt #: 8 total cpu time spent up to now is 66.5 secs Computing kpt #: 9 total cpu time spent up to now is 69.3 secs Computing kpt #: 10 total cpu time spent up to now is 71.9 secs Computing kpt #: 11 total cpu time spent up to now is 74.4 secs Computing kpt #: 12 total cpu time spent up to now is 76.7 secs Computing kpt #: 13 total cpu time spent up to now is 79.4 secs Computing kpt #: 14 total cpu time spent up to now is 81.7 secs Computing kpt #: 15 total cpu time spent up to now is 84.0 secs Computing kpt #: 16 total cpu time spent up to now is 86.3 secs Computing kpt #: 17 total cpu time spent up to now is 88.6 secs Computing kpt #: 18 total cpu time spent up to now is 91.2 secs Computing kpt #: 19 total cpu time spent up to now is 94.4 secs Computing kpt #: 20 total cpu time spent up to now is 97.5 secs Computing kpt #: 21 total cpu time spent up to now is 100.5 secs Computing kpt #: 22 total cpu time spent up to now is 103.7 secs Computing kpt #: 23 total cpu time spent up to now is 107.4 secs Computing kpt #: 24 total cpu time spent up to now is 110.9 secs Computing kpt #: 25 total cpu time spent up to now is 114.7 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 122.4 secs Computing kpt #: 28 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 127.7 secs Computing kpt #: 29 total cpu time spent up to now is 130.8 secs Computing kpt #: 30 total cpu time spent up to now is 133.8 secs Computing kpt #: 31 total cpu time spent up to now is 136.8 secs Computing kpt #: 32 total cpu time spent up to now is 139.7 secs Computing kpt #: 33 total cpu time spent up to now is 142.4 secs Computing kpt #: 34 total cpu time spent up to now is 145.7 secs Computing kpt #: 35 total cpu time spent up to now is 148.9 secs Computing kpt #: 36 total cpu time spent up to now is 152.1 secs Computing kpt #: 37 total cpu time spent up to now is 155.2 secs Computing kpt #: 38 total cpu time spent up to now is 158.8 secs Computing kpt #: 39 total cpu time spent up to now is 162.3 secs Computing kpt #: 40 total cpu time spent up to now is 166.1 secs Computing kpt #: 41 total cpu time spent up to now is 170.2 secs Computing kpt #: 42 total cpu time spent up to now is 175.3 secs Computing kpt #: 43 total cpu time spent up to now is 179.7 secs Computing kpt #: 44 total cpu time spent up to now is 183.5 secs Computing kpt #: 45 total cpu time spent up to now is 187.8 secs Computing kpt #: 46 total cpu time spent up to now is 191.4 secs Computing kpt #: 47 total cpu time spent up to now is 196.0 secs Computing kpt #: 48 total cpu time spent up to now is 199.7 secs Computing kpt #: 49 total cpu time spent up to now is 203.6 secs Computing kpt #: 50 total cpu time spent up to now is 207.4 secs Computing kpt #: 51 total cpu time spent up to now is 211.3 secs Computing kpt #: 52 total cpu time spent up to now is 214.8 secs Computing kpt #: 53 total cpu time spent up to now is 218.0 secs Computing kpt #: 54 total cpu time spent up to now is 221.1 secs Computing kpt #: 55 total cpu time spent up to now is 224.6 secs Computing kpt #: 56 total cpu time spent up to now is 227.6 secs Computing kpt #: 57 total cpu time spent up to now is 230.5 secs Computing kpt #: 58 total cpu time spent up to now is 234.3 secs Computing kpt #: 59 total cpu time spent up to now is 237.0 secs Computing kpt #: 60 total cpu time spent up to now is 239.7 secs Computing kpt #: 61 total cpu time spent up to now is 242.5 secs Computing kpt #: 62 total cpu time spent up to now is 245.1 secs Computing kpt #: 63 total cpu time spent up to now is 247.5 secs Computing kpt #: 64 total cpu time spent up to now is 250.3 secs Computing kpt #: 65 total cpu time spent up to now is 252.6 secs Computing kpt #: 66 total cpu time spent up to now is 255.2 secs Computing kpt #: 67 total cpu time spent up to now is 258.2 secs Computing kpt #: 68 total cpu time spent up to now is 260.7 secs Computing kpt #: 69 total cpu time spent up to now is 263.7 secs Computing kpt #: 70 total cpu time spent up to now is 266.4 secs Computing kpt #: 71 total cpu time spent up to now is 269.1 secs Computing kpt #: 72 total cpu time spent up to now is 272.0 secs Computing kpt #: 73 total cpu time spent up to now is 274.7 secs Computing kpt #: 74 total cpu time spent up to now is 277.8 secs Computing kpt #: 75 total cpu time spent up to now is 280.9 secs Computing kpt #: 76 total cpu time spent up to now is 286.0 secs Computing kpt #: 77 total cpu time spent up to now is 289.6 secs Computing kpt #: 78 total cpu time spent up to now is 293.4 secs Computing kpt #: 79 total cpu time spent up to now is 297.6 secs Computing kpt #: 80 total cpu time spent up to now is 302.0 secs Computing kpt #: 81 total cpu time spent up to now is 307.0 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 312.5 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 317.9 secs Computing kpt #: 84 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 323.3 secs Computing kpt #: 85 total cpu time spent up to now is 327.6 secs Computing kpt #: 86 total cpu time spent up to now is 331.1 secs Computing kpt #: 87 total cpu time spent up to now is 334.1 secs Computing kpt #: 88 total cpu time spent up to now is 337.2 secs Computing kpt #: 89 total cpu time spent up to now is 340.4 secs Computing kpt #: 90 total cpu time spent up to now is 343.4 secs Computing kpt #: 91 total cpu time spent up to now is 346.3 secs Computing kpt #: 92 total cpu time spent up to now is 349.6 secs Computing kpt #: 93 total cpu time spent up to now is 352.5 secs Computing kpt #: 94 total cpu time spent up to now is 355.3 secs Computing kpt #: 95 total cpu time spent up to now is 358.5 secs Computing kpt #: 96 total cpu time spent up to now is 361.4 secs Computing kpt #: 97 total cpu time spent up to now is 365.1 secs Computing kpt #: 98 total cpu time spent up to now is 369.1 secs Computing kpt #: 99 total cpu time spent up to now is 372.4 secs Computing kpt #: 100 total cpu time spent up to now is 375.9 secs Computing kpt #: 101 total cpu time spent up to now is 379.5 secs Computing kpt #: 102 total cpu time spent up to now is 382.9 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 388.3 secs Computing kpt #: 104 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 393.3 secs Computing kpt #: 105 total cpu time spent up to now is 396.8 secs Computing kpt #: 106 total cpu time spent up to now is 400.1 secs Computing kpt #: 107 total cpu time spent up to now is 403.4 secs Computing kpt #: 108 total cpu time spent up to now is 406.8 secs Computing kpt #: 109 total cpu time spent up to now is 410.1 secs Computing kpt #: 110 total cpu time spent up to now is 413.9 secs Computing kpt #: 111 total cpu time spent up to now is 417.1 secs Computing kpt #: 112 total cpu time spent up to now is 420.4 secs Computing kpt #: 113 total cpu time spent up to now is 423.8 secs Computing kpt #: 114 total cpu time spent up to now is 427.0 secs Computing kpt #: 115 total cpu time spent up to now is 430.8 secs Computing kpt #: 116 total cpu time spent up to now is 434.7 secs Computing kpt #: 117 total cpu time spent up to now is 437.7 secs Computing kpt #: 118 total cpu time spent up to now is 441.2 secs Computing kpt #: 119 total cpu time spent up to now is 444.9 secs Computing kpt #: 120 total cpu time spent up to now is 448.5 secs Computing kpt #: 121 total cpu time spent up to now is 452.2 secs Computing kpt #: 122 total cpu time spent up to now is 455.7 secs Computing kpt #: 123 total cpu time spent up to now is 459.2 secs Computing kpt #: 124 total cpu time spent up to now is 462.5 secs Computing kpt #: 125 total cpu time spent up to now is 465.9 secs Computing kpt #: 126 total cpu time spent up to now is 469.1 secs Computing kpt #: 127 total cpu time spent up to now is 472.4 secs Computing kpt #: 128 total cpu time spent up to now is 475.5 secs Computing kpt #: 129 total cpu time spent up to now is 478.7 secs Computing kpt #: 130 total cpu time spent up to now is 482.1 secs Computing kpt #: 131 total cpu time spent up to now is 484.6 secs Computing kpt #: 132 total cpu time spent up to now is 489.3 secs Computing kpt #: 133 total cpu time spent up to now is 492.5 secs Computing kpt #: 134 total cpu time spent up to now is 496.2 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 501.3 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 506.3 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 512.1 secs Computing kpt #: 138 total cpu time spent up to now is 516.5 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 521.8 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 527.2 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 532.2 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 537.5 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 542.6 secs Computing kpt #: 144 total cpu time spent up to now is 546.9 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 551.9 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 556.8 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 561.7 secs Computing kpt #: 148 total cpu time spent up to now is 565.2 secs Computing kpt #: 149 total cpu time spent up to now is 568.5 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 574.0 secs Computing kpt #: 151 total cpu time spent up to now is 577.5 secs Computing kpt #: 152 total cpu time spent up to now is 582.0 secs Computing kpt #: 153 total cpu time spent up to now is 587.1 secs Computing kpt #: 154 total cpu time spent up to now is 591.6 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 596.8 secs Computing kpt #: 156 total cpu time spent up to now is 600.4 secs Computing kpt #: 157 total cpu time spent up to now is 603.5 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 608.5 secs Computing kpt #: 159 total cpu time spent up to now is 612.0 secs Computing kpt #: 160 total cpu time spent up to now is 614.4 secs Computing kpt #: 161 total cpu time spent up to now is 616.8 secs Computing kpt #: 162 total cpu time spent up to now is 619.8 secs Computing kpt #: 163 total cpu time spent up to now is 622.7 secs Computing kpt #: 164 total cpu time spent up to now is 625.3 secs Computing kpt #: 165 total cpu time spent up to now is 628.0 secs Computing kpt #: 166 total cpu time spent up to now is 630.5 secs Computing kpt #: 167 total cpu time spent up to now is 633.1 secs Computing kpt #: 168 total cpu time spent up to now is 635.8 secs Computing kpt #: 169 total cpu time spent up to now is 638.6 secs Computing kpt #: 170 total cpu time spent up to now is 641.4 secs Computing kpt #: 171 total cpu time spent up to now is 644.4 secs Computing kpt #: 172 total cpu time spent up to now is 647.3 secs Computing kpt #: 173 total cpu time spent up to now is 650.6 secs Computing kpt #: 174 total cpu time spent up to now is 655.1 secs Computing kpt #: 175 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 660.1 secs Computing kpt #: 176 total cpu time spent up to now is 663.6 secs Computing kpt #: 177 total cpu time spent up to now is 666.3 secs Computing kpt #: 178 total cpu time spent up to now is 669.0 secs Computing kpt #: 179 total cpu time spent up to now is 671.6 secs Computing kpt #: 180 total cpu time spent up to now is 674.3 secs Computing kpt #: 181 total cpu time spent up to now is 676.9 secs Computing kpt #: 182 total cpu time spent up to now is 679.5 secs Computing kpt #: 183 total cpu time spent up to now is 682.4 secs Computing kpt #: 184 total cpu time spent up to now is 685.9 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 691.6 secs Computing kpt #: 186 total cpu time spent up to now is 696.2 secs Computing kpt #: 187 total cpu time spent up to now is 699.4 secs Computing kpt #: 188 total cpu time spent up to now is 702.4 secs Computing kpt #: 189 total cpu time spent up to now is 705.0 secs Computing kpt #: 190 total cpu time spent up to now is 707.8 secs Computing kpt #: 191 total cpu time spent up to now is 710.8 secs Computing kpt #: 192 total cpu time spent up to now is 713.6 secs Computing kpt #: 193 total cpu time spent up to now is 717.2 secs Computing kpt #: 194 total cpu time spent up to now is 720.6 secs Computing kpt #: 195 total cpu time spent up to now is 724.4 secs Computing kpt #: 196 total cpu time spent up to now is 727.8 secs Computing kpt #: 197 total cpu time spent up to now is 731.3 secs Computing kpt #: 198 total cpu time spent up to now is 734.4 secs Computing kpt #: 199 total cpu time spent up to now is 737.0 secs Computing kpt #: 200 total cpu time spent up to now is 740.0 secs Computing kpt #: 201 total cpu time spent up to now is 742.8 secs Computing kpt #: 202 total cpu time spent up to now is 745.5 secs Computing kpt #: 203 total cpu time spent up to now is 748.2 secs Computing kpt #: 204 total cpu time spent up to now is 750.9 secs Computing kpt #: 205 total cpu time spent up to now is 753.4 secs Computing kpt #: 206 total cpu time spent up to now is 756.2 secs Computing kpt #: 207 total cpu time spent up to now is 758.8 secs Computing kpt #: 208 total cpu time spent up to now is 761.5 secs Computing kpt #: 209 total cpu time spent up to now is 764.4 secs Computing kpt #: 210 total cpu time spent up to now is 767.3 secs Computing kpt #: 211 total cpu time spent up to now is 770.2 secs Computing kpt #: 212 total cpu time spent up to now is 773.1 secs Computing kpt #: 213 total cpu time spent up to now is 776.1 secs Computing kpt #: 214 total cpu time spent up to now is 779.1 secs Computing kpt #: 215 total cpu time spent up to now is 782.1 secs Computing kpt #: 216 total cpu time spent up to now is 785.0 secs Computing kpt #: 217 total cpu time spent up to now is 787.8 secs Computing kpt #: 218 total cpu time spent up to now is 790.5 secs Computing kpt #: 219 total cpu time spent up to now is 793.4 secs Computing kpt #: 220 total cpu time spent up to now is 796.3 secs Computing kpt #: 221 total cpu time spent up to now is 799.2 secs Computing kpt #: 222 total cpu time spent up to now is 802.1 secs Computing kpt #: 223 total cpu time spent up to now is 804.8 secs Computing kpt #: 224 total cpu time spent up to now is 807.9 secs Computing kpt #: 225 total cpu time spent up to now is 810.8 secs Computing kpt #: 226 total cpu time spent up to now is 813.7 secs Computing kpt #: 227 total cpu time spent up to now is 816.4 secs Computing kpt #: 228 total cpu time spent up to now is 819.2 secs Computing kpt #: 229 total cpu time spent up to now is 822.2 secs Computing kpt #: 230 total cpu time spent up to now is 825.0 secs Computing kpt #: 231 total cpu time spent up to now is 827.9 secs Computing kpt #: 232 total cpu time spent up to now is 830.7 secs Computing kpt #: 233 total cpu time spent up to now is 833.6 secs Computing kpt #: 234 total cpu time spent up to now is 837.2 secs Computing kpt #: 235 total cpu time spent up to now is 840.3 secs Computing kpt #: 236 total cpu time spent up to now is 843.8 secs Computing kpt #: 237 total cpu time spent up to now is 846.9 secs Computing kpt #: 238 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 852.4 secs Computing kpt #: 239 total cpu time spent up to now is 856.1 secs Computing kpt #: 240 total cpu time spent up to now is 859.6 secs Computing kpt #: 241 total cpu time spent up to now is 863.0 secs Computing kpt #: 242 total cpu time spent up to now is 866.0 secs Computing kpt #: 243 total cpu time spent up to now is 869.0 secs Computing kpt #: 244 total cpu time spent up to now is 871.9 secs Computing kpt #: 245 total cpu time spent up to now is 874.9 secs Computing kpt #: 246 total cpu time spent up to now is 877.6 secs Computing kpt #: 247 total cpu time spent up to now is 880.4 secs Computing kpt #: 248 total cpu time spent up to now is 883.9 secs Computing kpt #: 249 total cpu time spent up to now is 887.5 secs Computing kpt #: 250 total cpu time spent up to now is 891.7 secs Computing kpt #: 251 total cpu time spent up to now is 896.7 secs Computing kpt #: 252 total cpu time spent up to now is 900.9 secs Computing kpt #: 253 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 906.5 secs Computing kpt #: 254 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 912.2 secs Computing kpt #: 255 total cpu time spent up to now is 916.3 secs Computing kpt #: 256 total cpu time spent up to now is 919.7 secs Computing kpt #: 257 total cpu time spent up to now is 924.1 secs Computing kpt #: 258 total cpu time spent up to now is 927.2 secs Computing kpt #: 259 total cpu time spent up to now is 930.2 secs Computing kpt #: 260 total cpu time spent up to now is 933.3 secs Computing kpt #: 261 total cpu time spent up to now is 936.8 secs Computing kpt #: 262 total cpu time spent up to now is 940.2 secs Computing kpt #: 263 total cpu time spent up to now is 943.0 secs Computing kpt #: 264 total cpu time spent up to now is 945.6 secs Computing kpt #: 265 total cpu time spent up to now is 948.7 secs Computing kpt #: 266 total cpu time spent up to now is 951.9 secs Computing kpt #: 267 total cpu time spent up to now is 955.4 secs Computing kpt #: 268 total cpu time spent up to now is 958.8 secs Computing kpt #: 269 total cpu time spent up to now is 961.4 secs Computing kpt #: 270 total cpu time spent up to now is 963.8 secs Computing kpt #: 271 total cpu time spent up to now is 967.1 secs Computing kpt #: 272 total cpu time spent up to now is 970.8 secs Computing kpt #: 273 total cpu time spent up to now is 973.3 secs Computing kpt #: 274 total cpu time spent up to now is 975.9 secs Computing kpt #: 275 total cpu time spent up to now is 980.8 secs Computing kpt #: 276 total cpu time spent up to now is 983.7 secs Computing kpt #: 277 total cpu time spent up to now is 986.7 secs Computing kpt #: 278 total cpu time spent up to now is 989.7 secs Computing kpt #: 279 total cpu time spent up to now is 993.2 secs Computing kpt #: 280 total cpu time spent up to now is 996.0 secs Computing kpt #: 281 total cpu time spent up to now is 998.6 secs Computing kpt #: 282 total cpu time spent up to now is 1001.4 secs Computing kpt #: 283 total cpu time spent up to now is 1004.3 secs Computing kpt #: 284 total cpu time spent up to now is 1008.4 secs Computing kpt #: 285 total cpu time spent up to now is 1012.3 secs Computing kpt #: 286 total cpu time spent up to now is 1015.8 secs Computing kpt #: 287 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1020.8 secs Computing kpt #: 288 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1026.0 secs Computing kpt #: 289 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1031.5 secs Computing kpt #: 290 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1037.3 secs Computing kpt #: 291 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1043.1 secs Computing kpt #: 292 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1048.4 secs Computing kpt #: 293 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1053.9 secs Computing kpt #: 294 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1059.5 secs Computing kpt #: 295 total cpu time spent up to now is 1062.1 secs Computing kpt #: 296 total cpu time spent up to now is 1065.6 secs Computing kpt #: 297 total cpu time spent up to now is 1069.4 secs Computing kpt #: 298 total cpu time spent up to now is 1072.6 secs Computing kpt #: 299 total cpu time spent up to now is 1076.0 secs Computing kpt #: 300 total cpu time spent up to now is 1079.2 secs Computing kpt #: 301 total cpu time spent up to now is 1081.6 secs Computing kpt #: 302 total cpu time spent up to now is 1084.3 secs Computing kpt #: 303 total cpu time spent up to now is 1086.6 secs Computing kpt #: 304 total cpu time spent up to now is 1089.1 secs Computing kpt #: 305 total cpu time spent up to now is 1092.6 secs Computing kpt #: 306 total cpu time spent up to now is 1095.6 secs Computing kpt #: 307 total cpu time spent up to now is 1099.0 secs Computing kpt #: 308 total cpu time spent up to now is 1101.9 secs Computing kpt #: 309 total cpu time spent up to now is 1104.8 secs Computing kpt #: 310 total cpu time spent up to now is 1108.1 secs Computing kpt #: 311 total cpu time spent up to now is 1112.2 secs Computing kpt #: 312 total cpu time spent up to now is 1115.1 secs Computing kpt #: 313 total cpu time spent up to now is 1117.7 secs Computing kpt #: 314 total cpu time spent up to now is 1120.1 secs Computing kpt #: 315 total cpu time spent up to now is 1122.6 secs Computing kpt #: 316 total cpu time spent up to now is 1125.5 secs Computing kpt #: 317 total cpu time spent up to now is 1127.9 secs Computing kpt #: 318 total cpu time spent up to now is 1130.3 secs Computing kpt #: 319 total cpu time spent up to now is 1132.6 secs Computing kpt #: 320 total cpu time spent up to now is 1135.0 secs Computing kpt #: 321 total cpu time spent up to now is 1137.7 secs Computing kpt #: 322 total cpu time spent up to now is 1140.7 secs Computing kpt #: 323 total cpu time spent up to now is 1144.7 secs Computing kpt #: 324 total cpu time spent up to now is 1147.8 secs Computing kpt #: 325 total cpu time spent up to now is 1150.7 secs Computing kpt #: 326 total cpu time spent up to now is 1153.1 secs Computing kpt #: 327 total cpu time spent up to now is 1156.1 secs Computing kpt #: 328 total cpu time spent up to now is 1158.8 secs Computing kpt #: 329 total cpu time spent up to now is 1161.4 secs Computing kpt #: 330 total cpu time spent up to now is 1164.3 secs Computing kpt #: 331 total cpu time spent up to now is 1167.3 secs Computing kpt #: 332 total cpu time spent up to now is 1170.2 secs Computing kpt #: 333 total cpu time spent up to now is 1173.4 secs Computing kpt #: 334 total cpu time spent up to now is 1176.2 secs Computing kpt #: 335 total cpu time spent up to now is 1179.0 secs Computing kpt #: 336 total cpu time spent up to now is 1181.9 secs Computing kpt #: 337 total cpu time spent up to now is 1187.5 secs Computing kpt #: 338 total cpu time spent up to now is 1190.0 secs Computing kpt #: 339 total cpu time spent up to now is 1193.1 secs Computing kpt #: 340 total cpu time spent up to now is 1196.2 secs Computing kpt #: 341 total cpu time spent up to now is 1200.7 secs Computing kpt #: 342 total cpu time spent up to now is 1205.3 secs Computing kpt #: 343 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1210.1 secs Computing kpt #: 344 total cpu time spent up to now is 1214.9 secs Computing kpt #: 345 total cpu time spent up to now is 1218.4 secs Computing kpt #: 346 total cpu time spent up to now is 1222.8 secs Computing kpt #: 347 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1227.7 secs Computing kpt #: 348 total cpu time spent up to now is 1232.6 secs Computing kpt #: 349 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1237.5 secs Computing kpt #: 350 total cpu time spent up to now is 1241.8 secs Computing kpt #: 351 total cpu time spent up to now is 1244.9 secs Computing kpt #: 352 total cpu time spent up to now is 1248.6 secs Computing kpt #: 353 total cpu time spent up to now is 1251.9 secs Computing kpt #: 354 total cpu time spent up to now is 1255.2 secs Computing kpt #: 355 total cpu time spent up to now is 1258.6 secs Computing kpt #: 356 total cpu time spent up to now is 1262.1 secs Computing kpt #: 357 total cpu time spent up to now is 1265.8 secs Computing kpt #: 358 total cpu time spent up to now is 1269.1 secs Computing kpt #: 359 total cpu time spent up to now is 1272.3 secs Computing kpt #: 360 total cpu time spent up to now is 1275.7 secs Computing kpt #: 361 total cpu time spent up to now is 1279.5 secs Computing kpt #: 362 total cpu time spent up to now is 1282.7 secs Computing kpt #: 363 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1288.1 secs Computing kpt #: 364 total cpu time spent up to now is 1291.9 secs Computing kpt #: 365 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1297.3 secs Computing kpt #: 366 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1303.1 secs Computing kpt #: 367 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1308.5 secs Computing kpt #: 368 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1313.6 secs Computing kpt #: 369 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1319.1 secs Computing kpt #: 370 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1324.0 secs Computing kpt #: 371 total cpu time spent up to now is 1328.0 secs Computing kpt #: 372 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1333.2 secs Computing kpt #: 373 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1338.4 secs Computing kpt #: 374 total cpu time spent up to now is 1340.7 secs ethr = 2.08E-11, avg # of iterations = 56.4 total cpu time spent up to now is 1340.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4291 PWs) bands (ev): -13.3455 -13.3455 -12.6118 -12.6118 -10.7691 -10.7691 -9.2540 -9.2540 -9.0787 -9.0787 -8.9888 -8.9888 -3.2095 -3.2095 -3.0632 -3.0632 -3.0462 -3.0462 -0.7488 -0.7488 -0.0998 -0.0998 0.0248 0.0248 0.6108 0.6108 0.9190 0.9190 1.6939 1.6939 2.2941 2.2941 3.0845 3.0845 3.6435 3.6435 3.7477 3.7477 3.8445 3.8445 3.9658 3.9658 4.4436 4.4436 4.6872 4.6872 5.4412 5.4412 10.8608 10.8608 12.0221 12.0221 12.1644 12.1644 12.9635 12.9635 13.6798 13.6798 k = 0.0086 0.0140-0.0000 ( 4281 PWs) bands (ev): -13.3451 -13.3450 -12.6118 -12.6118 -10.7686 -10.7686 -9.2713 -9.2685 -9.0664 -9.0630 -8.9886 -8.9883 -3.2189 -3.2185 -3.0623 -3.0621 -3.0344 -3.0336 -0.7502 -0.7492 -0.1016 -0.1015 0.0235 0.0239 0.6103 0.6110 0.9236 0.9255 1.6923 1.6931 2.2919 2.2928 3.0841 3.0847 3.6413 3.6420 3.7477 3.7478 3.8440 3.8443 3.9624 3.9630 4.4437 4.4438 4.6874 4.6876 5.4406 5.4410 10.8638 10.8638 12.0229 12.0231 12.1662 12.1666 12.9634 12.9643 13.6795 13.6805 k = 0.0173 0.0280-0.0000 ( 4291 PWs) bands (ev): -13.3438 -13.3437 -12.6119 -12.6119 -10.7671 -10.7671 -9.3101 -9.3061 -9.0349 -9.0297 -8.9875 -8.9869 -3.2410 -3.2405 -3.0595 -3.0591 -3.0040 -3.0025 -0.7534 -0.7515 -0.1068 -0.1065 0.0200 0.0207 0.6099 0.6113 0.9391 0.9427 1.6881 1.6898 2.2861 2.2878 3.0836 3.0847 3.6354 3.6367 3.7477 3.7478 3.8429 3.8436 3.9529 3.9541 4.4439 4.4441 4.6880 4.6885 5.4393 5.4401 10.8729 10.8730 12.0254 12.0258 12.1719 12.1727 12.9639 12.9657 13.6791 13.6810 k = 0.0259 0.0419-0.0000 ( 4287 PWs) bands (ev): -13.3416 -13.3416 -12.6120 -12.6120 -10.7647 -10.7646 -9.3591 -9.3547 -8.9965 -8.9903 -8.9854 -8.9847 -3.2676 -3.2673 -3.0547 -3.0541 -2.9630 -2.9612 -0.7587 -0.7558 -0.1145 -0.1140 0.0142 0.0153 0.6102 0.6120 0.9642 0.9693 1.6815 1.6839 2.2768 2.2793 3.0828 3.0845 3.6259 3.6280 3.7477 3.7478 3.8410 3.8423 3.9374 3.9395 4.4443 4.4445 4.6890 4.6896 5.4374 5.4385 10.8881 10.8883 12.0297 12.0303 12.1814 12.1827 12.9652 12.9678 13.6775 13.6801 k = 0.0345 0.0559-0.0000 ( 4279 PWs) bands (ev): -13.3386 -13.3386 -12.6122 -12.6122 -10.7612 -10.7611 -9.4131 -9.4087 -8.9833 -8.9819 -8.9557 -8.9494 -3.2945 -3.2944 -3.0479 -3.0471 -2.9159 -2.9138 -0.7665 -0.7626 -0.1233 -0.1229 0.0061 0.0076 0.6116 0.6138 0.9977 1.0041 1.6723 1.6755 2.2639 2.2673 3.0818 3.0841 3.6133 3.6160 3.7477 3.7478 3.8382 3.8405 3.9162 3.9195 4.4449 4.4452 4.6900 4.6909 5.4349 5.4363 10.9092 10.9094 12.0357 12.0365 12.1947 12.1963 12.9674 12.9707 13.6727 13.6760 k = 0.0432 0.0699-0.0000 ( 4279 PWs) bands (ev): -13.3348 -13.3347 -12.6124 -12.6124 -10.7568 -10.7566 -9.4702 -9.4658 -8.9799 -8.9782 -8.9161 -8.9094 -3.3200 -3.3199 -3.0392 -3.0382 -2.8647 -2.8623 -0.7772 -0.7724 -0.1319 -0.1317 -0.0043 -0.0024 0.6146 0.6170 1.0380 1.0454 1.6605 1.6646 2.2475 2.2517 3.0804 3.0834 3.5978 3.6012 3.7477 3.7479 3.8336 3.8380 3.8896 3.8953 4.4457 4.4461 4.6907 4.6918 5.4318 5.4336 10.9361 10.9363 12.0433 12.0443 12.2113 12.2134 12.9705 12.9744 13.6627 13.6663 k = 0.0518 0.0839-0.0000 ( 4285 PWs) bands (ev): -13.3301 -13.3300 -12.6127 -12.6127 -10.7513 -10.7511 -9.5293 -9.5252 -8.9757 -8.9737 -8.8782 -8.8710 -3.3432 -3.3429 -3.0286 -3.0274 -2.8105 -2.8078 -0.7912 -0.7854 -0.1389 -0.1389 -0.0170 -0.0147 0.6196 0.6221 1.0839 1.0921 1.6462 1.6510 2.2277 2.2327 3.0785 3.0823 3.5798 3.5840 3.7476 3.7480 3.8248 3.8340 3.8589 3.8698 4.4466 4.4471 4.6908 4.6922 5.4283 5.4305 10.9684 10.9687 12.0524 12.0536 12.2312 12.2337 12.9747 12.9792 13.6461 13.6497 k = 0.0604 0.0979-0.0000 ( 4275 PWs) bands (ev): -13.3246 -13.3245 -12.6130 -12.6130 -10.7449 -10.7446 -9.5900 -9.5860 -8.9708 -8.9685 -8.8424 -8.8349 -3.3636 -3.3631 -3.0160 -3.0146 -2.7536 -2.7507 -0.8089 -0.8022 -0.1431 -0.1429 -0.0320 -0.0294 0.6265 0.6291 1.1341 1.1431 1.6293 1.6348 2.2045 2.2102 3.0761 3.0806 3.5599 3.5649 3.7475 3.7481 3.8048 3.8160 3.8371 3.8507 4.4479 4.4484 4.6899 4.6915 5.4245 5.4270 11.0061 11.0065 12.0630 12.0644 12.2539 12.2568 12.9802 12.9852 13.6229 13.6263 k = 0.0691 0.1118-0.0000 ( 4275 PWs) bands (ev): -13.3183 -13.3182 -12.6134 -12.6134 -10.7374 -10.7371 -9.6518 -9.6480 -8.9651 -8.9625 -8.8090 -8.8013 -3.3810 -3.3802 -3.0015 -2.9999 -2.6947 -2.6916 -0.8304 -0.8230 -0.1432 -0.1428 -0.0495 -0.0464 0.6355 0.6381 1.1877 1.1973 1.6096 1.6158 2.1780 2.1844 3.0729 3.0782 3.5385 3.5442 3.7460 3.7480 3.7726 3.7776 3.8316 3.8407 4.4493 4.4499 4.6875 4.6894 5.4203 5.4233 11.0487 11.0492 12.0748 12.0764 12.2793 12.2826 12.9871 12.9924 13.5944 13.5976 k = 0.0777 0.1258-0.0000 ( 4279 PWs) bands (ev): -13.3112 -13.3112 -12.6139 -12.6138 -10.7289 -10.7286 -9.7145 -9.7109 -8.9588 -8.9559 -8.7784 -8.7705 -3.3952 -3.3942 -2.9850 -2.9832 -2.6341 -2.6307 -0.8556 -0.8475 -0.1386 -0.1380 -0.0693 -0.0659 0.6465 0.6492 1.2439 1.2539 1.5872 1.5941 2.1484 2.1554 3.0689 3.0751 3.5161 3.5225 3.7244 3.7309 3.7510 3.7528 3.8276 3.8345 4.4510 4.4517 4.6835 4.6856 5.4160 5.4194 11.0961 11.0966 12.0878 12.0896 12.3068 12.3105 12.9955 13.0010 13.5625 13.5654 k = 0.0863 0.1398-0.0000 ( 4275 PWs) bands (ev): -13.3034 -13.3034 -12.6144 -12.6143 -10.7194 -10.7190 -9.7779 -9.7744 -8.9518 -8.9485 -8.7506 -8.7425 -3.4062 -3.4050 -2.9667 -2.9647 -2.5719 -2.5684 -0.8843 -0.8756 -0.1288 -0.1281 -0.0916 -0.0878 0.6595 0.6623 1.3020 1.3125 1.5620 1.5695 2.1157 2.1233 3.0639 3.0709 3.4927 3.5000 3.6801 3.6845 3.7509 3.7518 3.8236 3.8294 4.4530 4.4538 4.6776 4.6798 5.4116 5.4153 11.1478 11.1484 12.1016 12.1037 12.3364 12.3405 13.0055 13.0111 13.5294 13.5320 k = 0.0950 0.1538-0.0000 ( 4261 PWs) bands (ev): -13.2949 -13.2948 -12.6149 -12.6148 -10.7088 -10.7084 -9.8416 -9.8384 -8.9440 -8.9405 -8.7257 -8.7174 -3.4141 -3.4128 -2.9464 -2.9442 -2.5084 -2.5048 -0.9158 -0.9068 -0.1166 -0.1140 -0.1128 -0.1121 0.6744 0.6773 1.3614 1.3722 1.5338 1.5419 2.0802 2.0884 3.0577 3.0656 3.4686 3.4767 3.6319 3.6353 3.7519 3.7525 3.8194 3.8246 4.4553 4.4562 4.6695 4.6719 5.4070 5.4111 11.2035 11.2042 12.1163 12.1186 12.3677 12.3721 13.0171 13.0225 13.4966 13.4989 k = 0.1036 0.1678-0.0000 ( 4261 PWs) bands (ev): -13.2857 -13.2856 -12.6155 -12.6154 -10.6971 -10.6967 -9.9057 -9.9026 -8.9357 -8.9319 -8.7038 -8.6953 -3.4190 -3.4175 -2.9242 -2.9218 -2.4439 -2.4402 -0.9497 -0.9403 -0.1438 -0.1393 -0.0937 -0.0928 0.6913 0.6943 1.4216 1.4327 1.5027 1.5113 2.0422 2.0509 3.0501 3.0590 3.4433 3.4521 3.5827 3.5854 3.7534 3.7539 3.8150 3.8199 4.4580 4.4589 4.6591 4.6618 5.4021 5.4066 11.2628 11.2637 12.1314 12.1340 12.4004 12.4051 13.0300 13.0352 13.4657 13.4675 k = 0.1122 0.1817-0.0000 ( 4265 PWs) bands (ev): -13.2758 -13.2758 -12.6161 -12.6161 -10.6844 -10.6839 -9.9699 -9.9670 -8.9268 -8.9226 -8.6849 -8.6762 -3.4210 -3.4193 -2.9002 -2.8976 -2.3786 -2.3747 -0.9851 -0.9755 -0.1737 -0.1688 -0.0687 -0.0680 0.7100 0.7132 1.4679 1.4765 1.4833 1.4942 2.0018 2.0110 3.0411 3.0509 3.4155 3.4247 3.5349 3.5375 3.7553 3.7558 3.8104 3.8151 4.4610 4.4620 4.6464 4.6493 5.3970 5.4019 11.3254 11.3264 12.1469 12.1497 12.4344 12.4394 13.0439 13.0486 13.4379 13.4393 k = 0.1209 0.1957-0.0000 ( 4263 PWs) bands (ev): -13.2653 -13.2653 -12.6168 -12.6167 -10.6706 -10.6700 -10.0341 -10.0313 -8.9172 -8.9128 -8.6690 -8.6602 -3.4203 -3.4185 -2.8743 -2.8715 -2.3127 -2.3087 -1.0215 -1.0117 -0.2063 -0.2010 -0.0394 -0.0387 0.7307 0.7340 1.4306 1.4403 1.5431 1.5549 1.9594 1.9690 3.0306 3.0411 3.3828 3.3917 3.4918 3.4950 3.7578 3.7583 3.8058 3.8103 4.4645 4.4655 4.6315 4.6346 5.3916 5.3967 11.3909 11.3920 12.1624 12.1655 12.4695 12.4748 13.0580 13.0621 13.4145 13.4154 k = 0.1295 0.2097-0.0000 ( 4261 PWs) bands (ev): -13.2543 -13.2542 -12.6175 -12.6175 -10.6557 -10.6551 -10.0981 -10.0955 -8.9072 -8.9025 -8.6559 -8.6470 -3.4172 -3.4153 -2.8465 -2.8435 -2.2463 -2.2422 -1.0580 -1.0482 -0.2414 -0.2358 -0.0059 -0.0054 0.7532 0.7567 1.3897 1.3998 1.6035 1.6155 1.9153 1.9254 3.0183 3.0296 3.3428 3.3507 3.4566 3.4611 3.7608 3.7614 3.8011 3.8055 4.4683 4.4694 4.6144 4.6176 5.3855 5.3911 11.4588 11.4601 12.1777 12.1812 12.5057 12.5112 13.0714 13.0748 13.3971 13.3974 k = 0.1381 0.2237-0.0000 ( 4267 PWs) bands (ev): -13.2426 -13.2425 -12.6183 -12.6182 -10.6396 -10.6390 -10.1619 -10.1594 -8.8967 -8.8916 -8.6458 -8.6368 -3.4119 -3.4099 -2.8169 -2.8137 -2.1797 -2.1755 -1.0942 -1.0844 -0.2792 -0.2733 0.0312 0.0316 0.7776 0.7812 1.3453 1.3558 1.6633 1.6755 1.8700 1.8804 3.0043 3.0162 3.2957 3.3024 3.4299 3.4358 3.7644 3.7651 3.7966 3.8007 4.4727 4.4738 4.5952 4.5986 5.3789 5.3847 11.5287 11.5302 12.1926 12.1964 12.5428 12.5486 13.0829 13.0854 13.3867 13.3871 k = 0.1468 0.2377-0.0000 ( 4275 PWs) bands (ev): -13.2305 -13.2304 -12.6191 -12.6190 -10.6225 -10.6218 -10.2252 -10.2230 -8.8857 -8.8804 -8.6384 -8.6293 -3.4048 -3.4027 -2.7855 -2.7821 -2.1130 -2.1087 -1.1295 -1.1197 -0.3197 -0.3134 0.0716 0.0718 0.8039 0.8077 1.2974 1.3082 1.7222 1.7347 1.8237 1.8344 2.9884 3.0007 3.2443 3.2500 3.4095 3.4164 3.7684 3.7695 3.7924 3.7961 4.4776 4.4787 4.5741 4.5777 5.3713 5.3775 11.6002 11.6019 12.2069 12.2110 12.5807 12.5867 13.0914 13.0928 13.3848 13.3858 k = 0.1554 0.2517-0.0000 ( 4265 PWs) bands (ev): -13.2179 -13.2178 -12.6199 -12.6198 -10.6042 -10.6035 -10.2881 -10.2860 -8.8744 -8.8688 -8.6336 -8.6245 -3.3961 -3.3939 -2.7523 -2.7487 -2.0463 -2.0420 -1.1632 -1.1535 -0.3628 -0.3562 0.1149 0.1150 0.8321 0.8362 1.2458 1.2569 1.7758 1.7811 1.7876 1.7930 2.9704 2.9829 3.1914 3.1965 3.3933 3.4007 3.7725 3.7743 3.7893 3.7922 4.4830 4.4842 4.5513 4.5550 5.3629 5.3692 11.6729 11.6749 12.2203 12.2248 12.6192 12.6254 13.0963 13.0969 13.3922 13.3937 k = 0.1640 0.2656-0.0000 ( 4273 PWs) bands (ev): -13.2049 -13.2048 -12.6207 -12.6207 -10.5847 -10.5839 -10.3504 -10.3484 -8.8627 -8.8568 -8.6314 -8.6223 -3.3863 -3.3841 -2.7173 -2.7136 -1.9799 -1.9756 -1.1950 -1.1854 -0.4084 -0.4015 0.1606 0.1607 0.8622 0.8665 1.1906 1.2019 1.7296 1.7408 1.8368 1.8497 2.9498 2.9623 3.1393 3.1437 3.3798 3.3875 3.7745 3.7781 3.7894 3.7904 4.4891 4.4903 4.5268 4.5307 5.3532 5.3599 11.7464 11.7487 12.2328 12.2376 12.6580 12.6644 13.0982 13.0983 13.4086 13.4105 k = 0.1727 0.2796-0.0000 ( 4277 PWs) bands (ev): -13.1915 -13.1914 -12.6216 -12.6216 -10.5641 -10.5633 -10.4120 -10.4101 -8.8507 -8.8446 -8.6316 -8.6225 -3.3756 -3.3734 -2.6806 -2.6767 -1.9139 -1.9095 -1.2245 -1.2149 -0.4565 -0.4493 0.2084 0.2086 0.8943 0.8989 1.1318 1.1431 1.6825 1.6939 1.8920 1.9051 2.9260 2.9380 3.0901 3.0937 3.3681 3.3758 3.7731 3.7778 3.7942 3.7943 4.4957 4.4971 4.5011 4.5051 5.3424 5.3492 11.8203 11.8228 12.2442 12.2494 12.6964 12.7030 13.0986 13.0991 13.4328 13.4348 k = 0.1813 0.2936-0.0000 ( 4269 PWs) bands (ev): -13.1778 -13.1777 -12.6225 -12.6225 -10.5423 -10.5414 -10.4728 -10.4711 -8.8386 -8.8322 -8.6341 -8.6250 -3.3646 -3.3624 -2.6422 -2.6380 -1.8484 -1.8441 -1.2511 -1.2416 -0.5069 -0.4995 0.2578 0.2582 0.9285 0.9334 1.0693 1.0806 1.6357 1.6473 1.9455 1.9588 2.8979 2.9088 3.0456 3.0481 3.3577 3.3652 3.7701 3.7748 3.8021 3.8024 4.4741 4.4781 4.5033 4.5045 5.3302 5.3372 11.8941 11.8969 12.2545 12.2600 12.7332 12.7400 13.1005 13.1013 13.4632 13.4651 k = 0.1899 0.3076-0.0000 ( 4269 PWs) bands (ev): -13.1639 -13.1638 -12.6235 -12.6234 -10.5329 -10.5312 -10.5192 -10.5183 -8.8263 -8.8197 -8.6386 -8.6296 -3.3536 -3.3514 -2.6021 -2.5977 -1.7837 -1.7793 -1.2745 -1.2652 -0.5596 -0.5519 0.3086 0.3092 0.9647 0.9700 1.0033 1.0145 1.5894 1.6011 1.9973 2.0107 2.8647 2.8740 3.0074 3.0084 3.3482 3.3553 3.7669 3.7715 3.8123 3.8125 4.4461 4.4502 4.5114 4.5127 5.3165 5.3238 11.9675 11.9706 12.2637 12.2696 12.7668 12.7737 13.1067 13.1078 13.4982 13.5000 k = 0.1986 0.3216-0.0000 ( 4265 PWs) bands (ev): -13.1497 -13.1496 -12.6244 -12.6244 -10.5918 -10.5903 -10.4951 -10.4940 -8.8140 -8.8071 -8.6451 -8.6362 -3.3429 -3.3407 -2.5603 -2.5558 -1.7197 -1.7154 -1.2944 -1.2853 -0.6143 -0.6064 0.3603 0.3610 0.9339 0.9450 1.0031 1.0087 1.5438 1.5556 2.0471 2.0608 2.8264 2.8338 2.9750 2.9757 3.3390 3.3456 3.7640 3.7684 3.8241 3.8243 4.4172 4.4214 4.5203 4.5217 5.3014 5.3089 12.0400 12.0434 12.2718 12.2780 12.7950 12.8019 13.1202 13.1216 13.5365 13.5380 k = 0.2072 0.3355-0.0000 ( 4261 PWs) bands (ev): -13.1354 -13.1352 -12.6254 -12.6253 -10.6498 -10.6484 -10.4697 -10.4686 -8.8017 -8.7945 -8.6534 -8.6445 -3.3330 -3.3309 -2.5170 -2.5122 -1.6567 -1.6524 -1.3105 -1.3015 -0.6709 -0.6628 0.4124 0.4132 0.8612 0.8722 1.0438 1.0497 1.4989 1.5108 2.0950 2.1088 2.7842 2.7899 2.9471 2.9491 3.3301 3.3360 3.7615 3.7657 3.8377 3.8378 4.3877 4.3920 4.5301 4.5315 5.2848 5.2924 12.1113 12.1151 12.2789 12.2855 12.8160 12.8226 13.1434 13.1453 13.5769 13.5782 k = 0.2158 0.3495-0.0000 ( 4265 PWs) bands (ev): -13.1209 -13.1208 -12.6263 -12.6263 -10.7068 -10.7054 -10.4430 -10.4419 -8.7895 -8.7821 -8.6632 -8.6545 -3.3242 -3.3220 -2.4720 -2.4671 -1.5948 -1.5906 -1.3226 -1.3138 -0.7290 -0.7207 0.4644 0.4654 0.7855 0.7963 1.0867 1.0931 1.4549 1.4668 2.1408 2.1548 2.7397 2.7442 2.9233 2.9260 3.3210 3.3262 3.7595 3.7635 3.8530 3.8531 4.3577 4.3619 4.5407 4.5421 5.2667 5.2744 12.1811 12.1851 12.2851 12.2922 12.8290 12.8352 13.1771 13.1797 13.6186 13.6197 k = 0.2245 0.3635-0.0000 ( 4265 PWs) bands (ev): -13.1064 -13.1063 -12.6272 -12.6272 -10.7625 -10.7613 -10.4152 -10.4139 -8.7774 -8.7699 -8.6745 -8.6659 -3.3167 -3.3146 -2.4256 -2.4205 -1.5342 -1.5302 -1.3304 -1.3217 -0.7885 -0.7800 0.5159 0.5171 0.7071 0.7176 1.1320 1.1388 1.4117 1.4236 2.1846 2.1987 2.6944 2.6980 2.9024 2.9055 3.3117 3.3161 3.7582 3.7619 3.8701 3.8701 4.3272 4.3315 4.5522 4.5537 5.2470 5.2549 12.2487 12.2531 12.2907 12.2981 12.8351 12.8408 13.2207 13.2239 13.6606 13.6617 k = 0.2331 0.3775-0.0000 ( 4261 PWs) bands (ev): -13.0919 -13.0918 -12.6282 -12.6281 -10.8171 -10.8160 -10.3861 -10.3848 -8.7657 -8.7580 -8.6871 -8.6786 -3.3109 -3.3088 -2.3777 -2.3725 -1.4752 -1.4714 -1.3336 -1.3249 -0.8489 -0.8404 0.5665 0.5678 0.6261 0.6363 1.1797 1.1869 1.3693 1.3812 2.2262 2.2405 2.6492 2.6522 2.8836 2.8866 3.3019 3.3055 3.7575 3.7611 3.8891 3.8891 4.2965 4.3008 4.5647 4.5662 5.2259 5.2339 12.2955 12.3033 12.3140 12.3187 12.8361 12.8414 13.2722 13.2760 13.6943 13.7036 k = 0.2417 0.3915-0.0000 ( 4267 PWs) bands (ev): -13.0774 -13.0773 -12.6290 -12.6290 -10.8704 -10.8694 -10.3558 -10.3544 -8.7544 -8.7464 -8.7007 -8.6924 -3.3068 -3.3047 -2.3285 -2.3231 -1.4184 -1.4151 -1.3316 -1.3228 -0.9100 -0.9014 0.5429 0.5527 0.6157 0.6171 1.2297 1.2374 1.3276 1.3395 2.2657 2.2802 2.6048 2.6074 2.8664 2.8692 3.2917 3.2944 3.7575 3.7609 3.9099 3.9101 4.2656 4.2699 4.5781 4.5797 5.2035 5.2115 12.3002 12.3085 12.3755 12.3805 12.8345 12.8394 13.3293 13.3336 13.6521 13.6635 k = 0.2504 0.4054-0.0000 ( 4267 PWs) bands (ev): -13.0630 -13.0629 -12.6299 -12.6299 -10.9224 -10.9214 -10.3243 -10.3228 -8.7436 -8.7354 -8.7153 -8.7072 -3.3046 -3.3026 -2.2780 -2.2724 -1.3668 -1.3642 -1.3215 -1.3123 -0.9714 -0.9627 0.4577 0.4672 0.6629 0.6645 1.2817 1.2864 1.2903 1.2989 2.3031 2.3178 2.5615 2.5638 2.8506 2.8528 3.2809 3.2826 3.7582 3.7614 3.9327 3.9330 4.2348 4.2390 4.5924 4.5941 5.1797 5.1878 12.3045 12.3132 12.4324 12.4376 12.8328 12.8373 13.3902 13.3949 13.5969 13.6073 k = 0.2590 0.4194-0.0000 ( 4271 PWs) bands (ev): -13.0488 -13.0487 -12.6307 -12.6307 -10.9730 -10.9721 -10.2917 -10.2901 -8.7334 -8.7307 -8.7250 -8.7228 -3.3044 -3.3024 -2.2263 -2.2206 -1.3332 -1.3296 -1.2908 -1.2830 -1.0327 -1.0239 0.3708 0.3800 0.7080 0.7097 1.2459 1.2576 1.3372 1.3454 2.3386 2.3535 2.5195 2.5216 2.8359 2.8375 3.2695 3.2703 3.7596 3.7626 3.9575 3.9578 4.2040 4.2081 4.6078 4.6095 5.1546 5.1628 12.3088 12.3178 12.4826 12.4880 12.8337 12.8378 13.4531 13.4581 13.5351 13.5445 k = 0.2676 0.4334-0.0000 ( 4259 PWs) bands (ev): -13.0348 -13.0347 -12.6315 -12.6315 -11.0222 -11.0214 -10.2578 -10.2561 -8.7467 -8.7390 -8.7238 -8.7154 -3.3061 -3.3042 -2.1736 -2.1678 -1.3146 -1.3098 -1.2426 -1.2364 -1.0933 -1.0845 0.2825 0.2914 0.7505 0.7524 1.2057 1.2175 1.3940 1.4027 2.3722 2.3872 2.4789 2.4810 2.8223 2.8232 3.2573 3.2575 3.7616 3.7645 3.9843 3.9847 4.1735 4.1774 4.6241 4.6259 5.1285 5.1367 12.3129 12.3224 12.5235 12.5286 12.8409 12.8444 13.4687 13.4777 13.5168 13.5222 k = 0.2763 0.4474-0.0000 ( 4259 PWs) bands (ev): -13.0211 -13.0209 -12.6322 -12.6322 -11.0700 -11.0692 -10.2227 -10.2209 -8.7633 -8.7557 -8.7151 -8.7065 -3.3098 -3.3079 -2.1201 -2.1142 -1.2962 -1.2911 -1.1923 -1.1864 -1.1525 -1.1441 0.1931 0.2017 0.7901 0.7922 1.1656 1.1775 1.4528 1.4619 2.4039 2.4191 2.4399 2.4419 2.8097 2.8098 3.2437 3.2450 3.7643 3.7671 4.0130 4.0135 4.1432 4.1470 4.6414 4.6432 5.1014 5.1096 12.3171 12.3270 12.5519 12.5565 12.8577 12.8602 13.4009 13.4091 13.5796 13.5851 k = 0.2849 0.4614-0.0000 ( 4263 PWs) bands (ev): -13.0076 -13.0075 -12.6328 -12.6328 -11.1162 -11.1155 -10.1866 -10.1847 -8.7802 -8.7728 -8.7074 -8.6986 -3.3153 -3.3134 -2.0661 -2.0601 -1.2752 -1.2701 -1.2114 -1.2020 -1.1415 -1.1368 0.1029 0.1112 0.8267 0.8289 1.1256 1.1375 1.5133 1.5227 2.4024 2.4044 2.4340 2.4493 2.7972 2.7980 3.2297 3.2320 3.7674 3.7702 4.0436 4.0443 4.1134 4.1169 4.6596 4.6615 5.0734 5.0816 12.3214 12.3317 12.5664 12.5702 12.8858 12.8872 13.3325 13.3403 13.6406 13.6462 k = 0.2935 0.4753-0.0000 ( 4259 PWs) bands (ev): -12.9945 -12.9944 -12.6334 -12.6334 -11.1609 -11.1602 -10.1493 -10.1473 -8.7973 -8.7902 -8.7007 -8.6918 -3.3224 -3.3205 -2.0119 -2.0059 -1.2670 -1.2575 -1.2511 -1.2464 -1.0931 -1.0885 0.0122 0.0201 0.8601 0.8625 1.0854 1.0973 1.5750 1.5848 2.3667 2.3686 2.4625 2.4779 2.7855 2.7872 3.2153 3.2187 3.7711 3.7739 4.0756 4.0767 4.0845 4.0874 4.6786 4.6807 5.0447 5.0528 12.3256 12.3363 12.5683 12.5712 12.9241 12.9243 13.2651 13.2725 13.6987 13.7042 k = 0.3022 0.4893-0.0000 ( 4261 PWs) bands (ev): -12.9818 -12.9816 -12.6339 -12.6338 -11.2040 -11.2034 -10.1109 -10.1088 -8.8145 -8.8077 -8.6952 -8.6862 -3.3310 -3.3292 -1.9583 -1.9523 -1.3190 -1.3096 -1.2244 -1.2199 -1.0461 -1.0417 -0.0787 -0.0712 0.8902 0.8927 1.0449 1.0568 1.6378 1.6478 2.3326 2.3345 2.4895 2.5051 2.7746 2.7773 3.2007 3.2051 3.7752 3.7781 4.0551 4.0580 4.1105 4.1114 4.6985 4.7007 5.0154 5.0235 12.3298 12.3408 12.5606 12.5628 12.9687 12.9694 13.1997 13.2068 13.7529 13.7581 k = 0.3108 0.5033-0.0000 ( 4267 PWs) bands (ev): -12.9695 -12.9693 -12.6342 -12.6342 -11.2455 -11.2449 -10.0715 -10.0693 -8.8318 -8.8252 -8.6910 -8.6819 -3.3410 -3.3391 -1.9063 -1.9003 -1.3666 -1.3570 -1.1952 -1.1910 -1.0008 -0.9966 -0.1697 -0.1625 0.9168 0.9195 1.0038 1.0158 1.7010 1.7114 2.3001 2.3020 2.5152 2.5309 2.7645 2.7681 3.1859 3.1913 3.7796 3.7827 4.0271 4.0295 4.1465 4.1476 4.7192 4.7214 4.9857 4.9937 12.3337 12.3450 12.5461 12.5478 13.0176 13.0191 13.1373 13.1441 13.8022 13.8070 k = 0.3194 0.5173-0.0000 ( 4261 PWs) bands (ev): -12.9577 -12.9575 -12.6345 -12.6345 -11.2853 -11.2848 -10.0311 -10.0287 -8.8489 -8.8426 -8.6881 -8.6791 -3.3520 -3.3502 -1.8577 -1.8520 -1.4073 -1.3975 -1.1638 -1.1599 -0.9572 -0.9531 -0.2603 -0.2535 0.9400 0.9426 0.9624 0.9742 1.7645 1.7751 2.2693 2.2712 2.5397 2.5554 2.7551 2.7596 3.1711 3.1775 3.7842 3.7876 3.9999 4.0016 4.1841 4.1853 4.7405 4.7428 4.9558 4.9636 12.3371 12.3486 12.5273 12.5286 13.0682 13.0711 13.0798 13.0854 13.8457 13.8498 k = 0.3281 0.5313-0.0000 ( 4257 PWs) bands (ev): -12.9463 -12.9462 -12.6347 -12.6346 -11.3235 -11.3230 -9.9898 -9.9873 -8.8659 -8.8598 -8.6868 -8.6777 -3.3639 -3.3621 -1.8157 -1.8103 -1.4379 -1.4278 -1.1306 -1.1270 -0.9153 -0.9113 -0.3504 -0.3439 0.9190 0.9312 0.9603 0.9633 1.8277 1.8386 2.2403 2.2421 2.5630 2.5788 2.7463 2.7518 3.1566 3.1639 3.7889 3.7928 3.9735 3.9745 4.2232 4.2246 4.7623 4.7648 4.9257 4.9334 12.3397 12.3513 12.5054 12.5065 13.0246 13.0310 13.1224 13.1246 13.8826 13.8860 k = 0.3367 0.5452-0.0000 ( 4265 PWs) bands (ev): -12.9355 -12.9354 -12.6347 -12.6347 -11.3599 -11.3595 -9.9477 -9.9450 -8.8825 -8.8767 -8.6872 -8.6780 -3.3764 -3.3747 -1.7851 -1.7801 -1.4534 -1.4429 -1.0960 -1.0927 -0.8752 -0.8713 -0.4397 -0.4336 0.8754 0.8876 0.9767 0.9799 1.8902 1.9014 2.2130 2.2148 2.5853 2.6011 2.7382 2.7446 3.1423 3.1505 3.7935 3.7982 3.9482 3.9482 4.2636 4.2652 4.7845 4.7871 4.8957 4.9033 12.3410 12.3526 12.4817 12.4826 12.9764 12.9824 13.1759 13.1783 13.9125 13.9151 k = 0.3453 0.5592-0.0000 ( 4265 PWs) bands (ev): -12.9253 -12.9252 -12.6346 -12.6346 -11.3947 -11.3943 -9.9047 -9.9019 -8.8987 -8.8932 -8.6892 -8.6801 -3.3894 -3.3878 -1.7705 -1.7658 -1.4489 -1.4381 -1.0603 -1.0573 -0.8367 -0.8330 -0.5279 -0.5221 0.8305 0.8428 0.9901 0.9933 1.9518 1.9632 2.1874 2.1891 2.6065 2.6223 2.7307 2.7379 3.1285 3.1376 3.7979 3.8037 3.9228 3.9242 4.3052 4.3070 4.8070 4.8097 4.8659 4.8733 12.3406 12.3520 12.4569 12.4576 12.9346 12.9400 13.2295 13.2321 13.9063 13.9143 k = 0.3453 0.5592-0.0000 ( 4265 PWs) bands (ev): -12.9253 -12.9252 -12.6346 -12.6346 -11.3947 -11.3943 -9.9047 -9.9019 -8.8987 -8.8932 -8.6892 -8.6801 -3.3894 -3.3878 -1.7705 -1.7658 -1.4489 -1.4381 -1.0603 -1.0573 -0.8367 -0.8330 -0.5279 -0.5221 0.8305 0.8428 0.9901 0.9933 1.9518 1.9632 2.1874 2.1891 2.6065 2.6223 2.7307 2.7379 3.1285 3.1376 3.7979 3.8037 3.9228 3.9242 4.3052 4.3070 4.8070 4.8097 4.8659 4.8733 12.3406 12.3520 12.4569 12.4576 12.9346 12.9400 13.2295 13.2321 13.9063 13.9143 k = 0.3289 0.5592-0.0000 ( 4261 PWs) bands (ev): -12.9309 -12.9308 -12.6350 -12.6349 -11.3755 -11.3751 -9.9278 -9.9251 -8.8902 -8.8845 -8.6878 -8.6787 -3.3821 -3.3804 -1.7800 -1.7751 -1.4539 -1.4432 -1.0814 -1.0783 -0.8539 -0.8501 -0.4794 -0.4735 0.8558 0.8680 0.9829 0.9861 1.9186 1.9299 2.2017 2.2035 2.5917 2.6074 2.7374 2.7444 3.1363 3.1450 3.7954 3.8006 3.9344 3.9352 4.2841 4.2858 4.7951 4.7977 4.8829 4.8903 12.3406 12.3520 12.4702 12.4712 12.9535 12.9592 13.2020 13.2045 13.9091 13.9106 k = 0.3124 0.5592-0.0000 ( 4263 PWs) bands (ev): -12.9373 -12.9372 -12.6358 -12.6358 -11.3536 -11.3532 -9.9517 -9.9490 -8.8814 -8.8756 -8.6868 -8.6776 -3.3740 -3.3723 -1.8014 -1.7965 -1.4542 -1.4436 -1.1056 -1.1024 -0.8650 -0.8611 -0.4274 -0.4213 0.8833 0.8953 0.9742 0.9775 1.8833 1.8944 2.2187 2.2205 2.5708 2.5861 2.7483 2.7553 3.1455 3.1538 3.7922 3.7972 3.9419 3.9426 4.2663 4.2679 4.7839 4.7864 4.9017 4.9091 12.3402 12.3515 12.4828 12.4841 12.9693 12.9753 13.1762 13.1786 13.8910 13.8924 k = 0.2960 0.5592-0.0000 ( 4267 PWs) bands (ev): -12.9441 -12.9440 -12.6371 -12.6371 -11.3292 -11.3288 -9.9763 -9.9737 -8.8724 -8.8665 -8.6860 -8.6769 -3.3649 -3.3632 -1.8326 -1.8278 -1.4519 -1.4415 -1.1317 -1.1285 -0.8691 -0.8651 -0.3734 -0.3673 0.9110 0.9219 0.9660 0.9703 1.8459 1.8569 2.2380 2.2399 2.5456 2.5605 2.7616 2.7686 3.1557 3.1636 3.7884 3.7933 3.9436 3.9447 4.2532 4.2546 4.7741 4.7766 4.9217 4.9290 12.3407 12.3519 12.4937 12.4954 12.9807 12.9868 13.1530 13.1551 13.8754 13.8770 k = 0.2796 0.5592-0.0000 ( 4268 PWs) bands (ev): -12.9514 -12.9513 -12.6390 -12.6389 -11.3026 -11.3021 -10.0016 -9.9991 -8.8633 -8.8573 -8.6856 -8.6765 -3.3548 -3.3531 -1.8716 -1.8669 -1.4493 -1.4391 -1.1587 -1.1555 -0.8659 -0.8619 -0.3184 -0.3122 0.9283 0.9345 0.9690 0.9778 1.8066 1.8174 2.2595 2.2614 2.5175 2.5320 2.7759 2.7828 3.1667 3.1742 3.7837 3.7889 3.9385 3.9402 4.2459 4.2471 4.7660 4.7685 4.9422 4.9495 12.3428 12.3539 12.5029 12.5050 12.9861 12.9922 13.1334 13.1352 13.8630 13.8651 k = 0.2631 0.5592-0.0000 ( 4273 PWs) bands (ev): -12.9589 -12.9587 -12.6412 -12.6411 -11.2739 -11.2734 -10.0277 -10.0253 -8.8541 -8.8479 -8.6854 -8.6763 -3.3436 -3.3418 -1.9164 -1.9119 -1.4477 -1.4376 -1.1861 -1.1828 -0.8558 -0.8517 -0.2632 -0.2569 0.9231 0.9265 0.9953 1.0066 1.7656 1.7763 2.2831 2.2850 2.4870 2.5013 2.7905 2.7974 3.1781 3.1854 3.7779 3.7837 3.9265 3.9292 4.2443 4.2455 4.7601 4.7627 4.9629 4.9702 12.3470 12.3579 12.5104 12.5129 12.9843 12.9900 13.1183 13.1196 13.8540 13.8565 k = 0.2467 0.5592-0.0000 ( 4267 PWs) bands (ev): -12.9665 -12.9663 -12.6437 -12.6437 -11.2434 -11.2428 -10.0545 -10.0522 -8.8449 -8.8385 -8.6856 -8.6765 -3.3311 -3.3293 -1.9654 -1.9612 -1.4475 -1.4377 -1.2133 -1.2100 -0.8394 -0.8353 -0.2081 -0.2019 0.9098 0.9125 1.0304 1.0423 1.7231 1.7336 2.3083 2.3104 2.4548 2.4690 2.8050 2.8118 3.1898 3.1968 3.7707 3.7773 3.9089 3.9128 4.2473 4.2488 4.7567 4.7593 4.9836 4.9908 12.3533 12.3641 12.5167 12.5196 12.9754 12.9805 13.1071 13.1085 13.8474 13.8506 k = 0.2302 0.5592-0.0000 ( 4273 PWs) bands (ev): -12.9741 -12.9739 -12.6465 -12.6465 -11.2113 -11.2107 -10.0821 -10.0798 -8.8356 -8.8291 -8.6860 -8.6770 -3.3174 -3.3155 -2.0177 -2.0137 -1.4490 -1.4394 -1.2398 -1.2365 -0.8177 -0.8137 -0.1537 -0.1476 0.8946 0.8969 1.0685 1.0805 1.6793 1.6897 2.3350 2.3372 2.4212 2.4353 2.8191 2.8257 3.2017 3.2084 3.7611 3.7689 3.8877 3.8931 4.2535 4.2552 4.7560 4.7587 5.0038 5.0109 12.3619 12.3726 12.5220 12.5253 12.9608 12.9653 13.0980 13.1001 13.8418 13.8458 k = 0.2138 0.5592-0.0000 ( 4277 PWs) bands (ev): -12.9815 -12.9814 -12.6495 -12.6495 -11.1778 -11.1772 -10.1104 -10.1082 -8.8264 -8.8198 -8.6867 -8.6778 -3.3022 -3.3003 -2.0721 -2.0684 -1.4516 -1.4423 -1.2655 -1.2621 -0.7921 -0.7881 -0.1004 -0.0944 0.8788 0.8808 1.1081 1.1200 1.6345 1.6448 2.3618 2.3643 2.3876 2.4016 2.8324 2.8389 3.2134 3.2198 3.7483 3.7573 3.8659 3.8727 4.2612 4.2630 4.7581 4.7609 5.0233 5.0303 12.3728 12.3834 12.5267 12.5304 12.9427 12.9466 13.0896 13.0924 13.8347 13.8394 k = 0.1973 0.5592-0.0000 ( 4276 PWs) bands (ev): -12.9888 -12.9887 -12.6526 -12.6526 -11.1433 -11.1427 -10.1393 -10.1372 -8.8173 -8.8105 -8.6878 -8.6789 -3.2856 -3.2837 -2.1279 -2.1245 -1.4552 -1.4461 -1.2900 -1.2865 -0.7635 -0.7597 -0.0485 -0.0427 0.8635 0.8651 1.1483 1.1603 1.5892 1.5994 2.3485 2.3599 2.3967 2.3972 2.8447 2.8512 3.2249 3.2311 3.7311 3.7409 3.8462 3.8541 4.2692 4.2710 4.7631 4.7661 5.0419 5.0487 12.3857 12.3962 12.5313 12.5354 12.9228 12.9264 13.0804 13.0838 13.8235 13.8288 k = 0.1809 0.5592-0.0000 ( 4271 PWs) bands (ev): -12.9958 -12.9957 -12.6558 -12.6557 -11.1080 -11.1074 -10.1687 -10.1667 -8.8083 -8.8014 -8.6891 -8.6802 -3.2675 -3.2657 -2.1844 -2.1812 -1.4592 -1.4503 -1.3132 -1.3095 -0.7330 -0.7294 0.0014 0.0070 0.8494 0.8506 1.1883 1.2002 1.5440 1.5540 2.3120 2.3244 2.4258 2.4271 2.8560 2.8623 3.2361 3.2420 3.7090 3.7189 3.8307 3.8387 4.2764 4.2782 4.7709 4.7740 5.0592 5.0659 12.4005 12.4109 12.5362 12.5406 12.9025 12.9057 13.0700 13.0738 13.8069 13.8123 k = 0.1644 0.5592-0.0000 ( 4274 PWs) bands (ev): -13.0025 -13.0024 -12.6589 -12.6588 -11.0722 -11.0715 -10.1986 -10.1967 -8.7995 -8.7925 -8.6908 -8.6819 -3.2480 -3.2461 -2.2409 -2.2379 -1.4633 -1.4547 -1.3350 -1.3311 -0.7016 -0.6982 0.0488 0.0541 0.8372 0.8379 1.2267 1.2385 1.5002 1.5102 2.2744 2.2869 2.4568 2.4584 2.8660 2.8722 3.2468 3.2524 3.6826 3.6919 3.8196 3.8270 4.2825 4.2842 4.7811 4.7843 5.0752 5.0816 12.4168 12.4271 12.5418 12.5465 12.8825 12.8856 13.0580 13.0623 13.7849 13.7903 k = 0.1480 0.5592-0.0000 ( 4280 PWs) bands (ev): -13.0087 -13.0086 -12.6619 -12.6618 -11.0362 -11.0355 -10.2288 -10.2270 -8.7909 -8.7838 -8.6927 -8.6840 -3.2271 -3.2252 -2.2968 -2.2941 -1.4672 -1.4588 -1.3551 -1.3511 -0.6701 -0.6669 0.0931 0.0981 0.8279 0.8281 1.2601 1.2718 1.4609 1.4709 2.2363 2.2486 2.4884 2.4901 2.8746 2.8806 3.2569 3.2623 3.6533 3.6616 3.8118 3.8183 4.2871 4.2887 4.7933 4.7965 5.0897 5.0958 12.4340 12.4441 12.5483 12.5534 12.8636 12.8665 13.0447 13.0492 13.7587 13.7639 k = 0.1316 0.5592-0.0000 ( 4286 PWs) bands (ev): -13.0144 -13.0143 -12.6647 -12.6647 -11.0003 -10.9996 -10.2591 -10.2574 -8.7825 -8.7753 -8.6950 -8.6863 -3.2049 -3.2031 -2.3515 -2.3490 -1.4707 -1.4626 -1.3737 -1.3695 -0.6393 -0.6363 0.1336 0.1381 0.8219 0.8225 1.2805 1.2918 1.4341 1.4444 2.1979 2.2100 2.5201 2.5219 2.8816 2.8875 3.2665 3.2716 3.6226 3.6300 3.8063 3.8119 4.2904 4.2918 4.8068 4.8101 5.1025 5.1082 12.4515 12.4614 12.5561 12.5616 12.8465 12.8494 13.0300 13.0349 13.7296 13.7345 k = 0.1151 0.5592-0.0000 ( 4289 PWs) bands (ev): -13.0195 -13.0195 -12.6673 -12.6673 -10.9649 -10.9642 -10.2892 -10.2876 -8.7745 -8.7672 -8.6976 -8.6890 -3.1817 -3.1799 -2.4044 -2.4020 -1.4736 -1.4658 -1.3906 -1.3862 -0.6099 -0.6072 0.1696 0.1736 0.8206 0.8219 1.2749 1.2855 1.4325 1.4431 2.1597 2.1714 2.5513 2.5532 2.8869 2.8926 3.2754 3.2801 3.5919 3.5984 3.8022 3.8070 4.2924 4.2936 4.8211 4.8243 5.1136 5.1189 12.4684 12.4780 12.5652 12.5710 12.8320 12.8350 13.0142 13.0194 13.6988 13.7033 k = 0.0987 0.5592-0.0000 ( 4287 PWs) bands (ev): -13.0241 -13.0240 -12.6697 -12.6697 -10.9307 -10.9300 -10.3186 -10.3171 -8.7667 -8.7593 -8.7005 -8.6920 -3.1578 -3.1561 -2.4546 -2.4524 -1.4758 -1.4682 -1.4059 -1.4012 -0.5826 -0.5802 0.2004 0.2038 0.8249 0.8272 1.2452 1.2550 1.4542 1.4647 2.1222 2.1334 2.5816 2.5836 2.8904 2.8959 3.2835 3.2879 3.5624 3.5680 3.7993 3.8032 4.2935 4.2945 4.8354 4.8384 5.1230 5.1279 12.4841 12.4932 12.5752 12.5812 12.8211 12.8243 12.9972 13.0027 13.6677 13.6718 k = 0.0822 0.5592-0.0000 ( 4289 PWs) bands (ev): -13.0280 -13.0280 -12.6718 -12.6717 -10.8982 -10.8975 -10.3468 -10.3455 -8.7593 -8.7519 -8.7037 -8.6953 -3.1339 -3.1323 -2.5013 -2.4994 -1.4771 -1.4698 -1.4194 -1.4146 -0.5581 -0.5560 0.2257 0.2284 0.8356 0.8388 1.2044 1.2136 1.4855 1.4955 2.0860 2.0965 2.6103 2.6123 2.8923 2.8973 3.2910 3.2949 3.5349 3.5398 3.7971 3.8003 4.2939 4.2947 4.8490 4.8518 5.1308 5.1350 12.4983 12.5067 12.5853 12.5911 12.8148 12.8187 12.9790 12.9848 13.6379 13.6414 k = 0.0658 0.5592-0.0000 ( 4285 PWs) bands (ev): -13.0313 -13.0312 -12.6735 -12.6735 -10.8684 -10.8677 -10.3730 -10.3719 -8.7523 -8.7449 -8.7072 -8.6990 -3.1107 -3.1093 -2.5434 -2.5417 -1.4775 -1.4705 -1.4312 -1.4262 -0.5369 -0.5352 0.2453 0.2474 0.8530 0.8571 1.1595 1.1683 1.5188 1.5279 2.0522 2.0617 2.6365 2.6384 2.8925 2.8970 3.2976 3.3011 3.5107 3.5147 3.7955 3.7980 4.2938 4.2945 4.8613 4.8637 5.1369 5.1405 12.5107 12.5182 12.5938 12.5992 12.8144 12.8192 12.9596 12.9658 13.6108 13.6137 k = 0.0493 0.5592-0.0000 ( 4288 PWs) bands (ev): -13.0338 -13.0338 -12.6749 -12.6749 -10.8424 -10.8418 -10.3961 -10.3951 -8.7457 -8.7384 -8.7109 -8.7030 -3.0896 -3.0883 -2.5793 -2.5779 -1.4769 -1.4704 -1.4412 -1.4362 -0.5196 -0.5183 0.2596 0.2610 0.8769 0.8819 1.1135 1.1219 1.5500 1.5578 2.0222 2.0303 2.6592 2.6609 2.8915 2.8953 3.3033 3.3061 3.4905 3.4936 3.7944 3.7962 4.2935 4.2940 4.8717 4.8736 5.1417 5.1444 12.5214 12.5277 12.5997 12.6044 12.8204 12.8262 12.9391 12.9456 13.5879 13.5901 k = 0.0329 0.5592-0.0000 ( 4284 PWs) bands (ev): -13.0357 -13.0357 -12.6759 -12.6759 -10.8218 -10.8214 -10.4144 -10.4137 -8.7396 -8.7328 -8.7145 -8.7073 -3.0721 -3.0712 -2.6073 -2.6063 -1.4754 -1.4697 -1.4491 -1.4444 -0.5068 -0.5059 0.2691 0.2701 0.9066 0.9124 1.0679 1.0759 1.5763 1.5822 1.9983 2.0044 2.6772 2.6785 2.8901 2.8928 3.3079 3.3100 3.4753 3.4775 3.7937 3.7950 4.2932 4.2935 4.8796 4.8809 5.1451 5.1470 12.5301 12.5347 12.6030 12.6066 12.8326 12.8390 12.9178 12.9245 13.5705 13.5721 k = 0.0164 0.5592-0.0000 ( 4280 PWs) bands (ev): -13.0368 -13.0368 -12.6765 -12.6765 -10.8084 -10.8082 -10.4263 -10.4260 -8.7342 -8.7291 -8.7168 -8.7116 -3.0603 -3.0599 -2.6252 -2.6246 -1.4730 -1.4691 -1.4540 -1.4507 -0.4989 -0.4984 0.2746 0.2750 0.9413 0.9477 1.0239 1.0313 1.5947 1.5978 1.9830 1.9863 2.6889 2.6896 2.8889 2.8904 3.3111 3.3122 3.4659 3.4671 3.7935 3.7941 4.2930 4.2932 4.8846 4.8853 5.1473 5.1482 12.5363 12.5389 12.6045 12.6066 12.8491 12.8554 12.8970 12.9033 13.5598 13.5606 k = 0.0000 0.5592-0.0000 ( 4284 PWs) bands (ev): -13.0372 -13.0372 -12.6767 -12.6767 -10.8036 -10.8036 -10.4304 -10.4304 -8.7300 -8.7300 -8.7155 -8.7155 -3.0560 -3.0560 -2.6312 -2.6312 -1.4704 -1.4704 -1.4545 -1.4545 -0.4960 -0.4960 0.2765 0.2765 0.9763 0.9763 0.9927 0.9927 1.6023 1.6023 1.9787 1.9787 2.6932 2.6932 2.8890 2.8890 3.3126 3.3126 3.4631 3.4631 3.7936 3.7936 4.2930 4.2930 4.8866 4.8866 5.1483 5.1483 12.5394 12.5394 12.6056 12.6056 12.8643 12.8643 12.8867 12.8867 13.5564 13.5564 k = 0.0000 0.5592-0.0000 ( 4284 PWs) bands (ev): -13.0372 -13.0372 -12.6767 -12.6767 -10.8036 -10.8036 -10.4304 -10.4304 -8.7300 -8.7300 -8.7155 -8.7155 -3.0560 -3.0560 -2.6312 -2.6312 -1.4704 -1.4704 -1.4545 -1.4545 -0.4960 -0.4960 0.2765 0.2765 0.9763 0.9763 0.9927 0.9927 1.6023 1.6023 1.9787 1.9787 2.6932 2.6932 2.8890 2.8890 3.3126 3.3126 3.4631 3.4631 3.7936 3.7936 4.2930 4.2930 4.8866 4.8866 5.1483 5.1483 12.5394 12.5394 12.6056 12.6056 12.8643 12.8643 12.8867 12.8867 13.5564 13.5564 k = 0.0000 0.5592 0.0163 ( 4278 PWs) bands (ev): -13.0369 -13.0369 -12.6768 -12.6767 -10.8028 -10.8028 -10.4298 -10.4298 -8.7316 -8.7315 -8.7173 -8.7172 -3.0555 -3.0554 -2.6304 -2.6301 -1.4698 -1.4697 -1.4519 -1.4517 -0.4950 -0.4948 0.2749 0.2752 0.9747 0.9749 0.9909 0.9909 1.6031 1.6031 1.9793 1.9793 2.6908 2.6910 2.8895 2.8896 3.3145 3.3146 3.4634 3.4634 3.7934 3.7934 4.2933 4.2933 4.8867 4.8867 5.1481 5.1481 12.5351 12.5356 12.6002 12.6007 12.8667 12.8678 12.8831 12.8833 13.5612 13.5613 k = 0.0000 0.5592 0.0326 ( 4278 PWs) bands (ev): -13.0360 -13.0360 -12.6770 -12.6770 -10.8005 -10.8005 -10.4281 -10.4280 -8.7363 -8.7361 -8.7225 -8.7225 -3.0540 -3.0538 -2.6277 -2.6272 -1.4681 -1.4679 -1.4439 -1.4435 -0.4917 -0.4912 0.2705 0.2711 0.9702 0.9705 0.9855 0.9855 1.6053 1.6053 1.9810 1.9810 2.6839 2.6841 2.8913 2.8915 3.3202 3.3202 3.4642 3.4642 3.7927 3.7927 4.2941 4.2942 4.8871 4.8871 5.1476 5.1476 12.5229 12.5239 12.5854 12.5863 12.8686 12.8704 12.8787 12.8793 13.5750 13.5752 k = 0.0000 0.5592 0.0489 ( 4276 PWs) bands (ev): -13.0345 -13.0345 -12.6775 -12.6775 -10.7965 -10.7965 -10.4253 -10.4251 -8.7442 -8.7437 -8.7312 -8.7311 -3.0514 -3.0512 -2.6231 -2.6224 -1.4654 -1.4650 -1.4305 -1.4300 -0.4861 -0.4854 0.2632 0.2640 0.9629 0.9634 0.9770 0.9770 1.6087 1.6087 1.9836 1.9836 2.6727 2.6730 2.8941 2.8944 3.3292 3.3292 3.4655 3.4656 3.7916 3.7917 4.2955 4.2956 4.8877 4.8878 5.1466 5.1467 12.5031 12.5045 12.5629 12.5640 12.8535 12.8549 12.8903 12.8919 13.5959 13.5961 k = 0.0000 0.5592 0.0652 ( 4282 PWs) bands (ev): -13.0324 -13.0324 -12.6781 -12.6781 -10.7910 -10.7910 -10.4212 -10.4211 -8.7550 -8.7545 -8.7433 -8.7432 -3.0478 -3.0474 -2.6168 -2.6158 -1.4618 -1.4614 -1.4118 -1.4111 -0.4780 -0.4771 0.2529 0.2540 0.9531 0.9538 0.9658 0.9658 1.6129 1.6130 1.9869 1.9869 2.6578 2.6583 2.8980 2.8984 3.3410 3.3411 3.4673 3.4674 3.7902 3.7902 4.2974 4.2976 4.8886 4.8886 5.1453 5.1454 12.4766 12.4781 12.5348 12.5358 12.8329 12.8344 12.9064 12.9083 13.6212 13.6216 k = 0.0000 0.5592 0.0815 ( 4282 PWs) bands (ev): -13.0298 -13.0297 -12.6790 -12.6789 -10.7839 -10.7839 -10.4160 -10.4158 -8.7689 -8.7682 -8.7586 -8.7584 -3.0431 -3.0426 -2.6087 -2.6075 -1.4576 -1.4570 -1.3879 -1.3871 -0.4674 -0.4663 0.2397 0.2410 0.9411 0.9419 0.9526 0.9527 1.6176 1.6177 1.9905 1.9906 2.6400 2.6405 2.9026 2.9031 3.3552 3.3553 3.4696 3.4697 3.7884 3.7885 4.2998 4.3000 4.8897 4.8898 5.1437 5.1437 12.4442 12.4458 12.5028 12.5037 12.8096 12.8113 12.9247 12.9266 13.6483 13.6490 k = 0.0000 0.5592 0.0978 ( 4282 PWs) bands (ev): -13.0266 -13.0265 -12.6800 -12.6800 -10.7752 -10.7752 -10.4097 -10.4094 -8.7859 -8.7850 -8.7770 -8.7767 -3.0372 -3.0367 -2.5991 -2.5977 -1.4528 -1.4521 -1.3593 -1.3582 -0.4542 -0.4528 0.2234 0.2250 0.9272 0.9283 0.9381 0.9382 1.6222 1.6223 1.9941 1.9942 2.6197 2.6203 2.9079 2.9084 3.3711 3.3711 3.4724 3.4725 3.7864 3.7864 4.3025 4.3027 4.8911 4.8911 5.1416 5.1417 12.4071 12.4088 12.4684 12.4690 12.7850 12.7866 12.9443 12.9460 13.6749 13.6758 k = 0.0000 0.5592 0.1141 ( 4284 PWs) bands (ev): -13.0228 -13.0227 -12.6812 -12.6812 -10.7649 -10.7649 -10.4022 -10.4019 -8.8060 -8.8049 -8.7980 -8.7976 -3.0303 -3.0296 -2.5880 -2.5864 -1.4476 -1.4469 -1.3260 -1.3248 -0.4381 -0.4366 0.2042 0.2060 0.9118 0.9134 0.9227 0.9232 1.6265 1.6266 1.9973 1.9974 2.5979 2.5984 2.9134 2.9139 3.3880 3.3880 3.4757 3.4757 3.7843 3.7843 4.3055 4.3057 4.8927 4.8927 5.1392 5.1393 12.3668 12.3683 12.4327 12.4331 12.7598 12.7613 12.9646 12.9660 13.6989 13.7001 k = 0.0000 0.5592 0.1304 ( 4286 PWs) bands (ev): -13.0185 -13.0184 -12.6827 -12.6826 -10.7531 -10.7531 -10.3935 -10.3932 -8.8293 -8.8283 -8.8212 -8.8209 -3.0221 -3.0214 -2.5756 -2.5739 -1.4424 -1.4416 -1.2886 -1.2872 -0.4191 -0.4174 0.1821 0.1841 0.8954 0.8975 0.9073 0.9081 1.6300 1.6300 1.9994 1.9996 2.5751 2.5756 2.9189 2.9195 3.4054 3.4054 3.4792 3.4793 3.7821 3.7822 4.3087 4.3089 4.8944 4.8944 5.1365 5.1365 12.3245 12.3258 12.3969 12.3971 12.7345 12.7359 12.9853 12.9863 13.7191 13.7206 k = 0.0000 0.5592 0.1466 ( 4282 PWs) bands (ev): -13.0136 -13.0136 -12.6843 -12.6843 -10.7397 -10.7397 -10.3837 -10.3833 -8.8560 -8.8551 -8.8462 -8.8461 -3.0128 -3.0120 -2.5621 -2.5602 -1.4371 -1.4363 -1.2474 -1.2458 -0.3971 -0.3951 0.1572 0.1594 0.8783 0.8810 0.8924 0.8936 1.6324 1.6325 2.0002 2.0005 2.5519 2.5524 2.9241 2.9246 3.4229 3.4230 3.4830 3.4832 3.7801 3.7803 4.3119 4.3122 4.8963 4.8964 5.1334 5.1334 12.2814 12.2825 12.3618 12.3619 12.7094 12.7107 13.0060 13.0066 13.7350 13.7367 k = 0.0000 0.5592 0.1629 ( 4282 PWs) bands (ev): -13.0083 -13.0082 -12.6862 -12.6862 -10.7248 -10.7247 -10.3727 -10.3723 -8.8858 -8.8850 -8.8732 -8.8730 -3.0023 -3.0014 -2.5476 -2.5456 -1.4322 -1.4313 -1.2028 -1.2011 -0.3718 -0.3697 0.1299 0.1323 0.8610 0.8642 0.8786 0.8801 1.6336 1.6337 1.9989 1.9993 2.5290 2.5295 2.9286 2.9291 3.4399 3.4401 3.4868 3.4872 3.7785 3.7788 4.3150 4.3153 4.8985 4.8985 5.1299 5.1299 12.2388 12.2397 12.3282 12.3286 12.6850 12.6861 13.0263 13.0265 13.7465 13.7485 k = 0.0000 0.5592 0.1792 ( 4278 PWs) bands (ev): -13.0025 -13.0024 -12.6884 -12.6883 -10.7082 -10.7082 -10.3606 -10.3602 -8.9183 -8.9177 -8.9021 -8.9018 -2.9905 -2.9896 -2.5324 -2.5304 -1.4277 -1.4268 -1.1555 -1.1536 -0.3434 -0.3411 0.1006 0.1031 0.8438 0.8475 0.8661 0.8678 1.6334 1.6334 1.9952 1.9957 2.5070 2.5073 2.9319 2.9324 3.4562 3.4565 3.4906 3.4911 3.7777 3.7780 4.3179 4.3183 4.9008 4.9008 5.1261 5.1261 12.1977 12.1983 12.2971 12.2977 12.6614 12.6624 13.0457 13.0460 13.7542 13.7564 k = 0.0000 0.5592 0.1955 ( 4278 PWs) bands (ev): -12.9962 -12.9961 -12.6908 -12.6907 -10.6902 -10.6901 -10.3473 -10.3468 -8.9533 -8.9527 -8.9329 -8.9324 -2.9775 -2.9766 -2.5167 -2.5146 -1.4237 -1.4228 -1.1061 -1.1041 -0.3118 -0.3093 0.0697 0.0723 0.8272 0.8312 0.8552 0.8570 1.6317 1.6317 1.9886 1.9892 2.4863 2.4866 2.9339 2.9343 3.4714 3.4718 3.4941 3.4947 3.7779 3.7783 4.3205 4.3209 4.9032 4.9032 5.1220 5.1220 12.1590 12.1593 12.2690 12.2699 12.6390 12.6398 13.0637 13.0645 13.7589 13.7612 k = 0.0000 0.5592 0.2118 ( 4278 PWs) bands (ev): -12.9895 -12.9894 -12.6934 -12.6933 -10.6705 -10.6705 -10.3329 -10.3324 -8.9905 -8.9900 -8.9654 -8.9648 -2.9634 -2.9623 -2.5007 -2.4986 -1.4202 -1.4193 -1.0554 -1.0532 -0.2770 -0.2745 0.0380 0.0407 0.8115 0.8158 0.8460 0.8479 1.6284 1.6285 1.9786 1.9793 2.4675 2.4677 2.9341 2.9344 3.4849 3.4857 3.4972 3.4977 3.7796 3.7801 4.3226 4.3230 4.9058 4.9059 5.1175 5.1175 12.1234 12.1235 12.2447 12.2458 12.6180 12.6186 13.0801 13.0814 13.7614 13.7638 k = 0.0000 0.5592 0.2281 ( 4282 PWs) bands (ev): -12.9824 -12.9822 -12.6964 -12.6963 -10.6494 -10.6493 -10.3174 -10.3168 -9.0297 -9.0292 -8.9994 -8.9987 -2.9480 -2.9469 -2.4847 -2.4826 -1.4173 -1.4165 -1.0044 -1.0020 -0.2393 -0.2366 0.0064 0.0092 0.7970 0.8015 0.8386 0.8405 1.6236 1.6236 1.9650 1.9658 2.4509 2.4509 2.9322 2.9325 3.4950 3.4971 3.5008 3.5012 3.7830 3.7837 4.3240 4.3245 4.9086 4.9087 5.1128 5.1128 12.0917 12.0918 12.2246 12.2259 12.5987 12.5991 13.0945 13.0962 13.7625 13.7649 k = 0.0000 0.5592 0.2444 ( 4282 PWs) bands (ev): -12.9748 -12.9747 -12.6996 -12.6995 -10.6267 -10.6266 -10.3007 -10.3001 -9.0707 -9.0702 -9.0349 -9.0341 -2.9314 -2.9303 -2.4690 -2.4668 -1.4148 -1.4141 -0.9542 -0.9516 -0.1989 -0.1961 -0.0240 -0.0212 0.7841 0.7889 0.8329 0.8349 1.6172 1.6172 1.9475 1.9485 2.4365 2.4366 2.9281 2.9283 3.4977 3.4997 3.5096 3.5098 3.7887 3.7894 4.3247 4.3252 4.9116 4.9117 5.1077 5.1077 12.0644 12.0647 12.2091 12.2107 12.5812 12.5815 13.1063 13.1086 13.7628 13.7653 k = 0.0000 0.5592 0.2607 ( 4278 PWs) bands (ev): -12.9670 -12.9669 -12.7031 -12.7030 -10.6026 -10.6024 -10.2829 -10.2823 -9.1132 -9.1128 -9.0716 -9.0707 -2.9137 -2.9125 -2.4537 -2.4517 -1.4126 -1.4120 -0.9064 -0.9036 -0.1562 -0.1534 -0.0518 -0.0490 0.7732 0.7782 0.8291 0.8310 1.6091 1.6091 1.9262 1.9273 2.4247 2.4249 2.9214 2.9216 3.4972 3.4992 3.5183 3.5185 3.7967 3.7975 4.3245 4.3250 4.9148 4.9149 5.1024 5.1024 12.0422 12.0427 12.1987 12.2004 12.5658 12.5660 13.1152 13.1179 13.7629 13.7654 k = 0.0000 0.5592 0.2770 ( 4282 PWs) bands (ev): -12.9588 -12.9587 -12.7069 -12.7068 -10.5769 -10.5768 -10.2641 -10.2634 -9.1571 -9.1566 -9.1094 -9.1085 -2.8949 -2.8936 -2.4394 -2.4374 -1.4104 -1.4099 -0.8628 -0.8599 -0.1117 -0.1089 -0.0752 -0.0725 0.7646 0.7697 0.8272 0.8291 1.5994 1.5995 1.9011 1.9024 2.4153 2.4155 2.9121 2.9122 3.4951 3.4972 3.5251 3.5255 3.8073 3.8081 4.3233 4.3238 4.9182 4.9183 5.0968 5.0969 12.0254 12.0260 12.1935 12.1955 12.5526 12.5528 13.1208 13.1240 13.7631 13.7656 k = 0.0000 0.5592 0.2933 ( 4282 PWs) bands (ev): -12.9504 -12.9502 -12.7110 -12.7109 -10.5498 -10.5497 -10.2441 -10.2434 -9.2020 -9.2016 -9.1481 -9.1471 -2.8749 -2.8737 -2.4262 -2.4244 -1.4080 -1.4076 -0.8256 -0.8225 -0.0931 -0.0903 -0.0654 -0.0625 0.7587 0.7640 0.8271 0.8290 1.5881 1.5882 1.8725 1.8738 2.4082 2.4085 2.9001 2.9002 3.4916 3.4938 3.5301 3.5306 3.8202 3.8211 4.3210 4.3214 4.9218 4.9220 5.0911 5.0912 12.0145 12.0152 12.1938 12.1960 12.5419 12.5420 13.1228 13.1265 13.7637 13.7661 k = 0.0000 0.5592 0.3096 ( 4282 PWs) bands (ev): -12.9416 -12.9415 -12.7155 -12.7154 -10.5213 -10.5211 -10.2232 -10.2224 -9.2479 -9.2475 -9.1875 -9.1865 -2.8540 -2.8527 -2.4145 -2.4128 -1.4049 -1.4047 -0.7970 -0.7938 -0.1019 -0.0991 -0.0192 -0.0163 0.7560 0.7614 0.8291 0.8309 1.5752 1.5753 1.8406 1.8419 2.4033 2.4037 2.8853 2.8854 3.4870 3.4893 3.5331 3.5338 3.8354 3.8363 4.3175 4.3179 4.9257 4.9259 5.0851 5.0853 12.0096 12.0104 12.1997 12.2021 12.5336 12.5338 13.1211 13.1254 13.7649 13.7665 k = 0.0000 0.5592 0.3259 ( 4286 PWs) bands (ev): -12.9327 -12.9325 -12.7203 -12.7201 -10.4914 -10.4912 -10.2013 -10.2005 -9.2945 -9.2941 -9.2275 -9.2264 -2.8321 -2.8307 -2.4046 -2.4031 -1.4008 -1.4007 -0.7791 -0.7757 -0.1009 -0.0980 0.0269 0.0296 0.7569 0.7623 0.8332 0.8350 1.5606 1.5607 1.8056 1.8070 2.4005 2.4008 2.8679 2.8680 3.4816 3.4840 3.5343 3.5352 3.8527 3.8535 4.3127 4.3131 4.9298 4.9300 5.0791 5.0792 12.0110 12.0119 12.2110 12.2136 12.5280 12.5281 13.1158 13.1206 13.7251 13.7277 k = 0.0000 0.5592 0.3422 ( 4280 PWs) bands (ev): -12.9235 -12.9234 -12.7254 -12.7252 -10.4601 -10.4600 -10.1785 -10.1777 -9.3416 -9.3412 -9.2678 -9.2668 -2.8093 -2.8079 -2.3968 -2.3956 -1.3955 -1.3952 -0.7729 -0.7694 -0.0892 -0.0863 0.0717 0.0743 0.7620 0.7674 0.8396 0.8414 1.5442 1.5444 1.7678 1.7692 2.3994 2.3998 2.8479 2.8480 3.4758 3.4783 3.5338 3.5347 3.8716 3.8724 4.3066 4.3069 4.9342 4.9344 5.0729 5.0731 12.0187 12.0197 12.2278 12.2306 12.5249 12.5251 13.1070 13.1123 13.6618 13.6646 k = 0.0000 0.5592 0.3585 ( 4286 PWs) bands (ev): -12.9143 -12.9141 -12.7308 -12.7307 -10.4276 -10.4274 -10.1549 -10.1541 -9.3888 -9.3885 -9.3085 -9.3074 -2.7858 -2.7843 -2.3914 -2.3904 -1.3884 -1.3879 -0.7780 -0.7745 -0.0674 -0.0645 0.1143 0.1167 0.7718 0.7771 0.8486 0.8503 1.5259 1.5262 1.7276 1.7290 2.4001 2.4005 2.8255 2.8256 3.4699 3.4724 3.5316 3.5327 3.8919 3.8927 4.2992 4.2994 4.9388 4.9390 5.0667 5.0669 12.0328 12.0338 12.2497 12.2528 12.5244 12.5247 13.0951 13.1009 13.5920 13.5952 k = 0.0000 0.5592 0.3748 ( 4286 PWs) bands (ev): -12.9048 -12.9047 -12.7365 -12.7364 -10.3938 -10.3936 -10.1307 -10.1298 -9.4360 -9.4356 -9.3491 -9.3480 -2.7615 -2.7600 -2.3887 -2.3879 -1.3792 -1.3785 -0.7931 -0.7896 -0.0376 -0.0345 0.1535 0.1557 0.7868 0.7920 0.8604 0.8621 1.5058 1.5062 1.6851 1.6865 2.4025 2.4028 2.8010 2.8011 3.4642 3.4668 3.5279 3.5291 3.9133 3.9140 4.2904 4.2906 4.9436 4.9438 5.0604 5.0606 12.0533 12.0543 12.2763 12.2797 12.5265 12.5270 13.0804 13.0869 13.5174 13.5209 k = 0.0000 0.5592 0.3911 ( 4290 PWs) bands (ev): -12.8953 -12.8952 -12.7426 -12.7425 -10.3589 -10.3587 -10.1060 -10.1051 -9.4828 -9.4824 -9.3897 -9.3886 -2.7366 -2.7351 -2.3887 -2.3882 -1.3677 -1.3667 -0.8162 -0.8127 -0.0021 0.0011 0.1886 0.1903 0.8074 0.8122 0.8753 0.8770 1.4836 1.4840 1.6405 1.6419 2.4065 2.4067 2.7746 2.7747 3.4591 3.4617 3.5229 3.5243 3.9355 3.9361 4.2803 4.2805 4.9486 4.9489 5.0541 5.0543 12.0800 12.0809 12.3071 12.3107 12.5312 12.5317 13.0634 13.0705 13.4397 13.4436 k = 0.0000 0.5592 0.4073 ( 4284 PWs) bands (ev): -12.8858 -12.8856 -12.7491 -12.7489 -10.3229 -10.3227 -10.0812 -10.0802 -9.5286 -9.5283 -9.4299 -9.4288 -2.7112 -2.7098 -2.3916 -2.3914 -1.3534 -1.3522 -0.8453 -0.8418 0.0365 0.0398 0.2186 0.2199 0.8336 0.8381 0.8938 0.8953 1.4592 1.4598 1.5942 1.5955 2.4122 2.4123 2.7468 2.7470 3.4547 3.4573 3.5169 3.5184 3.9582 3.9588 4.2689 4.2690 4.9538 4.9541 5.0478 5.0481 12.1126 12.1135 12.3411 12.3451 12.5382 12.5390 13.0442 13.0522 13.3610 13.3653 k = 0.0000 0.5592 0.4236 ( 4288 PWs) bands (ev): -12.8762 -12.8760 -12.7558 -12.7557 -10.2859 -10.2857 -10.0567 -10.0558 -9.5731 -9.5727 -9.4697 -9.4686 -2.6855 -2.6840 -2.3975 -2.3975 -1.3364 -1.3349 -0.8785 -0.8751 0.0760 0.0793 0.2433 0.2441 0.8652 0.8692 0.9161 0.9175 1.4325 1.4332 1.5462 1.5476 2.4196 2.4196 2.7180 2.7182 3.4513 3.4539 3.5101 3.5117 3.9812 3.9818 4.2562 4.2563 4.9591 4.9594 5.0415 5.0418 12.1510 12.1518 12.3772 12.3815 12.5475 12.5486 13.0228 13.0314 13.2846 13.2891 k = 0.0000 0.5592 0.4399 ( 4280 PWs) bands (ev): -12.8666 -12.8665 -12.7628 -12.7627 -10.2482 -10.2480 -10.0335 -10.0325 -9.6151 -9.6148 -9.5087 -9.5076 -2.6596 -2.6581 -2.4064 -2.4062 -1.3165 -1.3147 -0.9146 -0.9112 0.1144 0.1177 0.2624 0.2627 0.9015 0.9049 0.9424 0.9436 1.4035 1.4044 1.4970 1.4983 2.4288 2.4288 2.6887 2.6889 3.4489 3.4515 3.5027 3.5045 4.0043 4.0049 4.2424 4.2424 4.9646 4.9649 5.0353 5.0356 12.1945 12.1952 12.4137 12.4184 12.5590 12.5603 12.9973 13.0062 13.2151 13.2197 k = 0.0000 0.5592 0.4562 ( 4278 PWs) bands (ev): -12.8571 -12.8569 -12.7702 -12.7701 -10.2100 -10.2097 -10.0126 -10.0117 -9.6534 -9.6530 -9.5468 -9.5457 -2.6337 -2.6322 -2.4181 -2.4177 -1.2937 -1.2917 -0.9524 -0.9490 0.1505 0.1537 0.2758 0.2761 0.9416 0.9443 0.9730 0.9739 1.3721 1.3731 1.4468 1.4481 2.4398 2.4399 2.6593 2.6596 3.4478 3.4504 3.4950 3.4969 4.0273 4.0278 4.2273 4.2273 4.9702 4.9705 5.0291 5.0295 12.2426 12.2432 12.4484 12.4534 12.5726 12.5742 12.9637 12.9719 13.1609 13.1644 k = 0.0000 0.5592 0.4725 ( 4274 PWs) bands (ev): -12.8476 -12.8475 -12.7779 -12.7777 -10.1715 -10.1712 -9.9964 -9.9955 -9.6858 -9.6853 -9.5835 -9.5824 -2.6078 -2.6064 -2.4324 -2.4317 -1.2682 -1.2660 -0.9910 -0.9877 0.1830 0.1862 0.2839 0.2846 0.9842 0.9862 1.0077 1.0082 1.3384 1.3395 1.3961 1.3973 2.4528 2.4530 2.6303 2.6306 3.4479 3.4505 3.4872 3.4893 4.0501 4.0506 4.2111 4.2112 4.9758 4.9762 5.0230 5.0233 12.2942 12.2948 12.4785 12.4836 12.5883 12.5902 12.9175 12.9234 13.1305 13.1316 k = 0.0000 0.5592 0.4888 ( 4284 PWs) bands (ev): -12.8383 -12.8381 -12.7858 -12.7856 -10.1332 -10.1329 -9.9879 -9.9870 -9.7089 -9.7084 -9.6184 -9.6173 -2.5823 -2.5809 -2.4489 -2.4481 -1.2401 -1.2376 -1.0298 -1.0266 0.2114 0.2145 0.2871 0.2883 1.0282 1.0294 1.0460 1.0460 1.3027 1.3038 1.3455 1.3467 2.4680 2.4682 2.6021 2.6025 3.4492 3.4517 3.4797 3.4818 4.0726 4.0730 4.1939 4.1940 4.9816 4.9819 5.0169 5.0173 12.3480 12.3485 12.5007 12.5056 12.6063 12.6087 12.8603 12.8637 13.1239 13.1252 k = 0.0000 0.5592 0.5051 ( 4282 PWs) bands (ev): -12.8291 -12.8289 -12.7940 -12.7938 -10.0959 -10.0955 -9.9903 -9.9896 -9.7197 -9.7190 -9.6506 -9.6496 -2.5573 -2.5560 -2.4675 -2.4666 -1.2095 -1.2069 -1.0682 -1.0651 0.2354 0.2382 0.2857 0.2873 1.0719 1.0725 1.0859 1.0863 1.2660 1.2670 1.2962 1.2972 2.4852 2.4855 2.5752 2.5755 3.4517 3.4543 3.4725 3.4748 4.0945 4.0949 4.1757 4.1759 4.9873 4.9877 5.0109 5.0113 12.4012 12.4018 12.5115 12.5157 12.6279 12.6304 12.7994 12.8007 13.1383 13.1412 k = 0.0000 0.5592 0.5214 ( 4288 PWs) bands (ev): -12.8200 -12.8198 -12.8024 -12.8023 -10.0606 -10.0602 -10.0047 -10.0042 -9.7168 -9.7160 -9.6792 -9.6782 -2.5331 -2.5318 -2.4880 -2.4869 -1.1767 -1.1740 -1.1057 -1.1027 0.2548 0.2574 0.2798 0.2819 1.1126 1.1131 1.1235 1.1240 1.2321 1.2328 1.2508 1.2514 2.5047 2.5050 2.5498 2.5501 3.4554 3.4579 3.4660 3.4683 4.1159 4.1163 4.1565 4.1568 4.9932 4.9935 5.0050 5.0053 12.4494 12.4505 12.5075 12.5108 12.6554 12.6578 12.7418 12.7421 13.1712 13.1748 k = 0.0000 0.5592 0.5377 ( 4288 PWs) bands (ev): -12.8111 -12.8111 -12.8110 -12.8110 -10.0293 -10.0293 -10.0288 -10.0288 -9.7022 -9.7022 -9.7013 -9.7013 -2.5099 -2.5099 -2.5087 -2.5087 -1.1420 -1.1420 -1.1391 -1.1391 0.2695 0.2695 0.2719 0.2719 1.1389 1.1389 1.1395 1.1395 1.2207 1.2207 1.2208 1.2208 2.5262 2.5262 2.5266 2.5266 3.4602 3.4602 3.4627 3.4627 4.1366 4.1366 4.1369 4.1369 4.9990 4.9990 4.9994 4.9994 12.4866 12.4866 12.4886 12.4886 12.6926 12.6926 12.6942 12.6942 13.2195 13.2195 k = 0.0000 0.5592 0.5377 ( 4288 PWs) bands (ev): -12.8111 -12.8111 -12.8110 -12.8110 -10.0293 -10.0293 -10.0288 -10.0288 -9.7022 -9.7022 -9.7013 -9.7013 -2.5099 -2.5099 -2.5087 -2.5087 -1.1420 -1.1420 -1.1391 -1.1391 0.2695 0.2695 0.2719 0.2719 1.1389 1.1389 1.1395 1.1395 1.2207 1.2207 1.2208 1.2208 2.5262 2.5262 2.5266 2.5266 3.4602 3.4602 3.4627 3.4627 4.1366 4.1366 4.1369 4.1369 4.9990 4.9990 4.9994 4.9994 12.4866 12.4866 12.4886 12.4886 12.6926 12.6926 12.6942 12.6942 13.2195 13.2195 k = 0.0164 0.5592 0.5377 ( 4288 PWs) bands (ev): -12.8109 -12.8109 -12.8108 -12.8108 -10.0315 -10.0315 -10.0310 -10.0310 -9.7003 -9.7003 -9.6994 -9.6994 -2.5082 -2.5082 -2.5070 -2.5070 -1.1447 -1.1447 -1.1418 -1.1418 0.2708 0.2708 0.2732 0.2732 1.1302 1.1302 1.1353 1.1353 1.2248 1.2248 1.2303 1.2303 2.5252 2.5252 2.5257 2.5257 3.4619 3.4619 3.4644 3.4644 4.1367 4.1367 4.1372 4.1372 4.9970 4.9970 4.9974 4.9974 12.4858 12.4858 12.4880 12.4880 12.6929 12.6929 12.6950 12.6950 13.2185 13.2185 k = 0.0329 0.5592 0.5377 ( 4284 PWs) bands (ev): -12.8103 -12.8103 -12.8101 -12.8101 -10.0381 -10.0381 -10.0373 -10.0373 -9.6949 -9.6949 -9.6938 -9.6938 -2.5031 -2.5031 -2.5019 -2.5019 -1.1527 -1.1527 -1.1498 -1.1498 0.2747 0.2747 0.2771 0.2771 1.1136 1.1136 1.1213 1.1213 1.2398 1.2398 1.2481 1.2481 2.5224 2.5224 2.5231 2.5231 3.4669 3.4669 3.4694 3.4694 4.1372 4.1372 4.1379 4.1379 4.9908 4.9908 4.9915 4.9915 12.4834 12.4834 12.4861 12.4861 12.6942 12.6942 12.6971 12.6971 13.2155 13.2155 k = 0.0493 0.5592 0.5377 ( 4282 PWs) bands (ev): -12.8092 -12.8092 -12.8091 -12.8091 -10.0484 -10.0484 -10.0475 -10.0475 -9.6863 -9.6863 -9.6851 -9.6851 -2.4947 -2.4947 -2.4934 -2.4934 -1.1658 -1.1658 -1.1629 -1.1629 0.2810 0.2810 0.2834 0.2834 1.0942 1.0942 1.1027 1.1027 1.2600 1.2600 1.2696 1.2696 2.5178 2.5178 2.5188 2.5188 3.4751 3.4751 3.4776 3.4776 4.1380 4.1380 4.1390 4.1390 4.9807 4.9807 4.9817 4.9817 12.4796 12.4796 12.4828 12.4828 12.6964 12.6964 12.7002 12.7002 13.2107 13.2107 k = 0.0658 0.5592 0.5377 ( 4276 PWs) bands (ev): -12.8078 -12.8078 -12.8076 -12.8076 -10.0620 -10.0620 -10.0609 -10.0609 -9.6750 -9.6750 -9.6737 -9.6737 -2.4829 -2.4829 -2.4815 -2.4815 -1.1839 -1.1839 -1.1811 -1.1811 0.2895 0.2895 0.2921 0.2921 1.0738 1.0738 1.0826 1.0826 1.2825 1.2825 1.2927 1.2927 2.5118 2.5118 2.5130 2.5130 3.4863 3.4863 3.4888 3.4888 4.1393 4.1393 4.1405 4.1405 4.9667 4.9667 4.9680 4.9680 12.4745 12.4745 12.4783 12.4783 12.6996 12.6996 12.7043 12.7043 13.2044 13.2044 k = 0.0822 0.5592 0.5377 ( 4268 PWs) bands (ev): -12.8059 -12.8059 -12.8058 -12.8058 -10.0782 -10.0782 -10.0770 -10.0770 -9.6617 -9.6617 -9.6603 -9.6603 -2.4678 -2.4678 -2.4664 -2.4664 -1.2068 -1.2068 -1.2040 -1.2040 0.3002 0.3002 0.3028 0.3028 1.0533 1.0533 1.0621 1.0621 1.3061 1.3061 1.3166 1.3166 2.5044 2.5044 2.5058 2.5058 3.5001 3.5001 3.5026 3.5026 4.1411 4.1411 4.1426 4.1426 4.9491 4.9491 4.9506 4.9506 12.4684 12.4684 12.4725 12.4725 12.7037 12.7037 12.7092 12.7092 13.1967 13.1967 k = 0.0987 0.5592 0.5377 ( 4270 PWs) bands (ev): -12.8037 -12.8037 -12.8035 -12.8035 -10.0964 -10.0964 -10.0951 -10.0951 -9.6468 -9.6468 -9.6453 -9.6453 -2.4496 -2.4496 -2.4480 -2.4480 -1.2341 -1.2341 -1.2313 -1.2313 0.3126 0.3126 0.3154 0.3154 1.0329 1.0329 1.0416 1.0416 1.3302 1.3302 1.3410 1.3410 2.4960 2.4960 2.4976 2.4976 3.5162 3.5162 3.5186 3.5186 4.1434 4.1434 4.1452 4.1452 4.9280 4.9280 4.9298 4.9298 12.4612 12.4612 12.4657 12.4657 12.7086 12.7086 12.7148 12.7148 13.1881 13.1881 k = 0.1151 0.5592 0.5377 ( 4262 PWs) bands (ev): -12.8012 -12.8012 -12.8010 -12.8010 -10.1162 -10.1162 -10.1148 -10.1148 -9.6308 -9.6308 -9.6293 -9.6293 -2.4283 -2.4283 -2.4266 -2.4266 -1.2655 -1.2655 -1.2627 -1.2627 0.3267 0.3267 0.3296 0.3296 1.0130 1.0130 1.0215 1.0215 1.3545 1.3545 1.3654 1.3654 2.4869 2.4869 2.4886 2.4886 3.5340 3.5340 3.5364 3.5364 4.1465 4.1465 4.1485 4.1485 4.9036 4.9036 4.9057 4.9057 12.4532 12.4532 12.4578 12.4578 12.7142 12.7142 12.7209 12.7209 13.1788 13.1788 k = 0.1316 0.5592 0.5377 ( 4258 PWs) bands (ev): -12.7983 -12.7983 -12.7981 -12.7981 -10.1371 -10.1371 -10.1357 -10.1357 -9.6140 -9.6140 -9.6124 -9.6124 -2.4041 -2.4041 -2.4023 -2.4023 -1.3007 -1.3007 -1.2979 -1.2979 0.3421 0.3421 0.3450 0.3450 0.9936 0.9936 1.0020 1.0020 1.3788 1.3788 1.3898 1.3898 2.4772 2.4772 2.4791 2.4791 3.5533 3.5533 3.5556 3.5556 4.1503 4.1503 4.1526 4.1526 4.8763 4.8763 4.8787 4.8787 12.4443 12.4443 12.4489 12.4489 12.7204 12.7204 12.7276 12.7276 13.1692 13.1692 k = 0.1480 0.5592 0.5377 ( 4250 PWs) bands (ev): -12.7952 -12.7952 -12.7950 -12.7950 -10.1588 -10.1588 -10.1574 -10.1574 -9.5967 -9.5967 -9.5951 -9.5951 -2.3770 -2.3770 -2.3751 -2.3751 -1.3394 -1.3394 -1.3366 -1.3366 0.3585 0.3585 0.3616 0.3616 0.9748 0.9748 0.9830 0.9830 1.4029 1.4029 1.4140 1.4140 2.4674 2.4674 2.4694 2.4694 3.5733 3.5733 3.5755 3.5755 4.1552 4.1552 4.1576 4.1576 4.8463 4.8463 4.8490 4.8490 12.4345 12.4345 12.4391 12.4391 12.7271 12.7271 12.7347 12.7347 13.1596 13.1596 k = 0.1644 0.5592 0.5377 ( 4248 PWs) bands (ev): -12.7918 -12.7918 -12.7916 -12.7916 -10.1810 -10.1810 -10.1796 -10.1796 -9.5790 -9.5790 -9.5774 -9.5774 -2.3474 -2.3474 -2.3453 -2.3453 -1.3811 -1.3811 -1.3783 -1.3783 0.3757 0.3757 0.3789 0.3789 0.9568 0.9568 0.9648 0.9648 1.4266 1.4266 1.4377 1.4377 2.4576 2.4576 2.4597 2.4597 3.5937 3.5937 3.5957 3.5957 4.1613 4.1613 4.1639 4.1639 4.8141 4.8141 4.8171 4.8171 12.4238 12.4238 12.4284 12.4284 12.7342 12.7342 12.7422 12.7422 13.1504 13.1504 k = 0.1809 0.5592 0.5377 ( 4248 PWs) bands (ev): -12.7883 -12.7883 -12.7881 -12.7881 -10.2035 -10.2035 -10.2020 -10.2020 -9.5612 -9.5612 -9.5596 -9.5596 -2.3153 -2.3153 -2.3130 -2.3130 -1.4255 -1.4255 -1.4227 -1.4227 0.3934 0.3934 0.3967 0.3967 0.9397 0.9397 0.9473 0.9473 1.4498 1.4498 1.4609 1.4609 2.4482 2.4482 2.4503 2.4503 3.6137 3.6137 3.6156 3.6156 4.1688 4.1688 4.1715 4.1715 4.7800 4.7800 4.7832 4.7832 12.4122 12.4122 12.4166 12.4166 12.7415 12.7415 12.7499 12.7499 13.1420 13.1420 k = 0.1973 0.5592 0.5377 ( 4254 PWs) bands (ev): -12.7846 -12.7846 -12.7844 -12.7844 -10.2261 -10.2261 -10.2246 -10.2246 -9.5433 -9.5433 -9.5417 -9.5417 -2.2810 -2.2810 -2.2786 -2.2786 -1.4723 -1.4723 -1.4694 -1.4694 0.4114 0.4114 0.4148 0.4148 0.9234 0.9234 0.9308 0.9308 1.4722 1.4722 1.4833 1.4833 2.4392 2.4392 2.4413 2.4413 3.6328 3.6328 3.6345 3.6345 4.1780 4.1780 4.1808 4.1808 4.7443 4.7443 4.7478 4.7478 12.3996 12.3996 12.4038 12.4038 12.7490 12.7490 12.7577 12.7577 13.1347 13.1347 k = 0.2138 0.5592 0.5377 ( 4254 PWs) bands (ev): -12.7808 -12.7808 -12.7806 -12.7806 -10.2485 -10.2485 -10.2470 -10.2470 -9.5255 -9.5255 -9.5239 -9.5239 -2.2448 -2.2448 -2.2423 -2.2423 -1.5211 -1.5211 -1.5181 -1.5181 0.4294 0.4294 0.4329 0.4329 0.9082 0.9082 0.9154 0.9154 1.4936 1.4936 1.5048 1.5048 2.4310 2.4310 2.4332 2.4332 3.6504 3.6504 3.6520 3.6520 4.1892 4.1892 4.1920 4.1920 4.7076 4.7076 4.7113 4.7113 12.3858 12.3858 12.3898 12.3898 12.7565 12.7565 12.7654 12.7654 13.1289 13.1289 k = 0.2302 0.5592 0.5377 ( 4262 PWs) bands (ev): -12.7770 -12.7770 -12.7768 -12.7768 -10.2706 -10.2706 -10.2691 -10.2691 -9.5078 -9.5078 -9.5062 -9.5062 -2.2072 -2.2072 -2.2045 -2.2045 -1.5713 -1.5713 -1.5683 -1.5683 0.4472 0.4472 0.4508 0.4508 0.8943 0.8943 0.9011 0.9011 1.5140 1.5140 1.5252 1.5252 2.4238 2.4238 2.4259 2.4259 3.6659 3.6659 3.6675 3.6675 4.2025 4.2025 4.2054 4.2054 4.6702 4.6702 4.6741 4.6741 12.3708 12.3708 12.3747 12.3747 12.7637 12.7637 12.7729 12.7729 13.1249 13.1249 k = 0.2467 0.5592 0.5377 ( 4266 PWs) bands (ev): -12.7732 -12.7732 -12.7730 -12.7730 -10.2922 -10.2922 -10.2908 -10.2908 -9.4902 -9.4902 -9.4886 -9.4886 -2.1686 -2.1686 -2.1658 -2.1658 -1.6224 -1.6224 -1.6193 -1.6193 0.4646 0.4646 0.4681 0.4681 0.8816 0.8816 0.8882 0.8882 1.5331 1.5331 1.5442 1.5442 2.4177 2.4177 2.4197 2.4197 3.6789 3.6789 3.6805 3.6805 4.2183 4.2183 4.2212 4.2212 4.6327 4.6327 4.6368 4.6368 12.3544 12.3544 12.3582 12.3582 12.7705 12.7705 12.7798 12.7798 13.1232 13.1232 k = 0.2631 0.5592 0.5377 ( 4264 PWs) bands (ev): -12.7695 -12.7695 -12.7693 -12.7693 -10.3133 -10.3133 -10.3118 -10.3118 -9.4728 -9.4728 -9.4712 -9.4712 -2.1301 -2.1301 -2.1272 -2.1272 -1.6734 -1.6734 -1.6702 -1.6702 0.4811 0.4811 0.4847 0.4847 0.8707 0.8707 0.8770 0.8770 1.5506 1.5506 1.5616 1.5616 2.4130 2.4130 2.4149 2.4149 3.6888 3.6888 3.6906 3.6906 4.2367 4.2367 4.2395 4.2395 4.5954 4.5954 4.5997 4.5997 12.3367 12.3367 12.3403 12.3403 12.7767 12.7767 12.7860 12.7860 13.1239 13.1239 k = 0.2796 0.5592 0.5377 ( 4270 PWs) bands (ev): -12.7659 -12.7659 -12.7657 -12.7657 -10.3335 -10.3335 -10.3321 -10.3321 -9.4557 -9.4557 -9.4541 -9.4541 -2.0932 -2.0932 -2.0902 -2.0902 -1.7227 -1.7227 -1.7195 -1.7195 0.4965 0.4965 0.5000 0.5000 0.8616 0.8616 0.8677 0.8677 1.5663 1.5663 1.5773 1.5773 2.4097 2.4097 2.4116 2.4116 3.6956 3.6956 3.6976 3.6976 4.2575 4.2575 4.2603 4.2603 4.5590 4.5590 4.5633 4.5633 12.3176 12.3176 12.3211 12.3211 12.7819 12.7819 12.7913 12.7913 13.1275 13.1275 k = 0.2960 0.5592 0.5377 ( 4268 PWs) bands (ev): -12.7625 -12.7625 -12.7623 -12.7623 -10.3529 -10.3529 -10.3515 -10.3515 -9.4387 -9.4387 -9.4372 -9.4372 -2.0613 -2.0613 -2.0583 -2.0583 -1.7669 -1.7669 -1.7637 -1.7637 0.5103 0.5103 0.5139 0.5139 0.8548 0.8548 0.8607 0.8607 1.5801 1.5801 1.5910 1.5910 2.4082 2.4082 2.4099 2.4099 3.6990 3.6990 3.7014 3.7014 4.2806 4.2806 4.2832 4.2832 4.5239 4.5239 4.5283 4.5283 12.2970 12.2970 12.3005 12.3005 12.7861 12.7861 12.7954 12.7954 13.1340 13.1340 k = 0.3124 0.5592 0.5377 ( 4270 PWs) bands (ev): -12.7594 -12.7594 -12.7592 -12.7592 -10.3713 -10.3713 -10.3699 -10.3699 -9.4220 -9.4220 -9.4205 -9.4205 -2.0410 -2.0410 -2.0385 -2.0385 -1.7989 -1.7989 -1.7962 -1.7962 0.5221 0.5221 0.5257 0.5257 0.8507 0.8507 0.8564 0.8564 1.5916 1.5916 1.6024 1.6024 2.4084 2.4084 2.4101 2.4101 3.6993 3.6993 3.7019 3.7019 4.3054 4.3054 4.3077 4.3077 4.4910 4.4910 4.4954 4.4954 12.2750 12.2750 12.2784 12.2784 12.7891 12.7891 12.7982 12.7982 13.1434 13.1434 k = 0.3289 0.5592 0.5377 ( 4280 PWs) bands (ev): -12.7566 -12.7566 -12.7564 -12.7564 -10.3886 -10.3886 -10.3872 -10.3872 -9.4056 -9.4056 -9.4040 -9.4040 -2.0425 -2.0425 -2.0411 -2.0411 -1.8088 -1.8088 -1.8071 -1.8071 0.5315 0.5315 0.5351 0.5351 0.8497 0.8497 0.8551 0.8551 1.6005 1.6005 1.6113 1.6113 2.4106 2.4106 2.4122 2.4122 3.6966 3.6966 3.6993 3.6993 4.3303 4.3303 4.3320 4.3320 4.4619 4.4619 4.4662 4.4662 12.2517 12.2517 12.2550 12.2550 12.7908 12.7908 12.7997 12.7997 13.1556 13.1556 k = 0.3453 0.5592 0.5377 ( 4282 PWs) bands (ev): -12.7541 -12.7541 -12.7540 -12.7540 -10.4046 -10.4046 -10.4033 -10.4033 -9.3894 -9.3894 -9.3879 -9.3879 -2.0692 -2.0692 -2.0689 -2.0689 -1.7937 -1.7937 -1.7926 -1.7926 0.5382 0.5382 0.5417 0.5417 0.8521 0.8521 0.8574 0.8574 1.6068 1.6068 1.6174 1.6174 2.4150 2.4150 2.4164 2.4164 3.6912 3.6912 3.6940 3.6940 4.3506 4.3506 4.3515 4.3515 4.4412 4.4412 4.4454 4.4454 12.2270 12.2270 12.2303 12.2303 12.7912 12.7912 12.8000 12.8000 13.1703 13.1703 k = 0.3453 0.5592 0.5377 ( 4282 PWs) bands (ev): -12.7541 -12.7541 -12.7540 -12.7540 -10.4046 -10.4046 -10.4033 -10.4033 -9.3894 -9.3894 -9.3879 -9.3879 -2.0692 -2.0692 -2.0689 -2.0689 -1.7937 -1.7937 -1.7926 -1.7926 0.5382 0.5382 0.5417 0.5417 0.8521 0.8521 0.8574 0.8574 1.6068 1.6068 1.6174 1.6174 2.4150 2.4150 2.4164 2.4164 3.6912 3.6912 3.6940 3.6940 4.3506 4.3506 4.3515 4.3515 4.4412 4.4412 4.4454 4.4454 12.2270 12.2270 12.2303 12.2303 12.7912 12.7912 12.8000 12.8000 13.1703 13.1703 k = 0.3367 0.5452 0.5377 ( 4274 PWs) bands (ev): -12.7585 -12.7585 -12.7583 -12.7583 -10.3746 -10.3746 -10.3732 -10.3732 -9.4202 -9.4202 -9.4186 -9.4186 -1.9970 -1.9970 -1.9966 -1.9966 -1.8423 -1.8423 -1.8413 -1.8413 0.5277 0.5277 0.5313 0.5313 0.8440 0.8440 0.8496 0.8496 1.5977 1.5977 1.6085 1.6085 2.4054 2.4054 2.4070 2.4070 3.7032 3.7032 3.7059 3.7059 4.3241 4.3241 4.3250 4.3250 4.4670 4.4670 4.4713 4.4713 12.2743 12.2743 12.2776 12.2776 12.7908 12.7908 12.7999 12.7999 13.1417 13.1417 k = 0.3281 0.5313 0.5377 ( 4270 PWs) bands (ev): -12.7630 -12.7630 -12.7628 -12.7628 -10.3433 -10.3433 -10.3418 -10.3418 -9.4512 -9.4512 -9.4497 -9.4497 -1.9233 -1.9233 -1.9227 -1.9227 -1.8931 -1.8931 -1.8922 -1.8922 0.5161 0.5161 0.5196 0.5196 0.8357 0.8357 0.8416 0.8416 1.5890 1.5890 1.5999 1.5999 2.3973 2.3973 2.3991 2.3991 3.7141 3.7141 3.7166 3.7166 4.2987 4.2987 4.2995 4.2995 4.4943 4.4943 4.4985 4.4985 12.3189 12.3189 12.3221 12.3221 12.7884 12.7884 12.7979 12.7979 13.1173 13.1173 k = 0.3194 0.5173 0.5377 ( 4262 PWs) bands (ev): -12.7677 -12.7677 -12.7676 -12.7676 -10.3106 -10.3106 -10.3091 -10.3091 -9.4826 -9.4826 -9.4810 -9.4810 -1.9466 -1.9466 -1.9456 -1.9456 -1.8479 -1.8479 -1.8472 -1.8472 0.5030 0.5030 0.5066 0.5066 0.8272 0.8272 0.8335 0.8335 1.5809 1.5809 1.5919 1.5919 2.3909 2.3909 2.3929 2.3929 3.7239 3.7239 3.7262 3.7262 4.2745 4.2745 4.2753 4.2753 4.5229 4.5229 4.5270 4.5270 12.3591 12.3591 12.3621 12.3621 12.7835 12.7835 12.7933 12.7933 13.0986 13.0986 k = 0.3108 0.5033 0.5377 ( 4256 PWs) bands (ev): -12.7726 -12.7726 -12.7725 -12.7725 -10.2766 -10.2766 -10.2750 -10.2750 -9.5140 -9.5140 -9.5124 -9.5124 -2.0018 -2.0018 -2.0008 -2.0008 -1.7718 -1.7718 -1.7709 -1.7709 0.4885 0.4885 0.4920 0.4920 0.8187 0.8187 0.8253 0.8253 1.5735 1.5735 1.5845 1.5845 2.3864 2.3864 2.3885 2.3885 3.7326 3.7326 3.7346 3.7346 4.2516 4.2516 4.2524 4.2524 4.5526 4.5526 4.5566 4.5566 12.3930 12.3930 12.3957 12.3957 12.7753 12.7753 12.7853 12.7853 13.0878 13.0878 k = 0.3022 0.4893 0.5377 ( 4266 PWs) bands (ev): -12.7777 -12.7777 -12.7776 -12.7776 -10.2414 -10.2414 -10.2398 -10.2398 -9.5454 -9.5454 -9.5438 -9.5438 -2.0590 -2.0590 -2.0581 -2.0581 -1.6949 -1.6949 -1.6939 -1.6939 0.4725 0.4725 0.4759 0.4759 0.8100 0.8100 0.8170 0.8170 1.5671 1.5671 1.5780 1.5780 2.3837 2.3837 2.3860 2.3860 3.7401 3.7401 3.7419 3.7419 4.2301 4.2301 4.2309 4.2309 4.5834 4.5834 4.5872 4.5872 12.4187 12.4187 12.4211 12.4211 12.7633 12.7633 12.7735 12.7735 13.0865 13.0865 k = 0.2935 0.4753 0.5377 ( 4264 PWs) bands (ev): -12.7830 -12.7830 -12.7828 -12.7828 -10.2050 -10.2050 -10.2033 -10.2033 -9.5767 -9.5767 -9.5751 -9.5751 -2.1181 -2.1181 -2.1173 -2.1173 -1.6177 -1.6177 -1.6164 -1.6164 0.4550 0.4550 0.4582 0.4582 0.8014 0.8014 0.8087 0.8087 1.5619 1.5619 1.5727 1.5727 2.3832 2.3832 2.3856 2.3856 3.7465 3.7465 3.7481 3.7481 4.2102 4.2102 4.2109 4.2109 4.6151 4.6151 4.6187 4.6187 12.4348 12.4348 12.4367 12.4367 12.7469 12.7469 12.7572 12.7572 13.0962 13.0962 k = 0.2849 0.4614 0.5377 ( 4268 PWs) bands (ev): -12.7884 -12.7884 -12.7882 -12.7882 -10.1674 -10.1674 -10.1657 -10.1657 -9.6077 -9.6077 -9.6061 -9.6061 -2.1790 -2.1790 -2.1783 -2.1783 -1.5403 -1.5403 -1.5388 -1.5388 0.4358 0.4358 0.4389 0.4389 0.7928 0.7928 0.8005 0.8005 1.5579 1.5579 1.5685 1.5685 2.3847 2.3847 2.3873 2.3873 3.7520 3.7520 3.7532 3.7532 4.1918 4.1918 4.1925 4.1925 4.6475 4.6475 4.6509 4.6509 12.4409 12.4409 12.4424 12.4424 12.7259 12.7259 12.7362 12.7362 13.1172 13.1172 k = 0.2763 0.4474 0.5377 ( 4272 PWs) bands (ev): -12.7939 -12.7939 -12.7938 -12.7938 -10.1289 -10.1289 -10.1271 -10.1271 -9.6385 -9.6385 -9.6369 -9.6369 -2.2416 -2.2416 -2.2409 -2.2409 -1.4632 -1.4632 -1.4614 -1.4614 0.4150 0.4150 0.4180 0.4180 0.7843 0.7843 0.7923 0.7923 1.5553 1.5553 1.5657 1.5657 2.3884 2.3884 2.3912 2.3912 3.7564 3.7564 3.7573 3.7573 4.1750 4.1750 4.1756 4.1756 4.6804 4.6804 4.6836 4.6836 12.4379 12.4379 12.4389 12.4389 12.7000 12.7000 12.7103 12.7103 13.1484 13.1484 k = 0.2676 0.4334 0.5377 ( 4276 PWs) bands (ev): -12.7996 -12.7996 -12.7994 -12.7994 -10.0893 -10.0893 -10.0875 -10.0875 -9.6688 -9.6688 -9.6672 -9.6672 -2.3056 -2.3056 -2.3050 -2.3050 -1.3866 -1.3866 -1.3845 -1.3845 0.3927 0.3927 0.3955 0.3955 0.7760 0.7760 0.7844 0.7844 1.5542 1.5542 1.5644 1.5644 2.3944 2.3944 2.3973 2.3973 3.7600 3.7600 3.7606 3.7606 4.1597 4.1597 4.1603 4.1603 4.7138 4.7138 4.7168 4.7168 12.4272 12.4272 12.4279 12.4279 12.6693 12.6693 12.6795 12.6795 13.1880 13.1880 k = 0.2590 0.4194 0.5377 ( 4280 PWs) bands (ev): -12.8054 -12.8054 -12.8052 -12.8052 -10.0488 -10.0488 -10.0470 -10.0470 -9.6987 -9.6987 -9.6971 -9.6971 -2.3710 -2.3710 -2.3705 -2.3705 -1.3108 -1.3108 -1.3085 -1.3085 0.3689 0.3689 0.3715 0.3715 0.7679 0.7679 0.7766 0.7766 1.5547 1.5547 1.5646 1.5646 2.4026 2.4026 2.4057 2.4057 3.7628 3.7628 3.7631 3.7631 4.1460 4.1460 4.1465 4.1465 4.7475 4.7475 4.7503 4.7503 12.4109 12.4109 12.4113 12.4113 12.6339 12.6339 12.6440 12.6440 13.2338 13.2338 k = 0.2504 0.4054 0.5377 ( 4276 PWs) bands (ev): -12.8113 -12.8113 -12.8111 -12.8111 -10.0075 -10.0075 -10.0057 -10.0057 -9.7280 -9.7280 -9.7264 -9.7264 -2.4376 -2.4376 -2.4372 -2.4372 -1.2361 -1.2361 -1.2335 -1.2335 0.3438 0.3438 0.3462 0.3462 0.7602 0.7602 0.7692 0.7692 1.5567 1.5567 1.5663 1.5663 2.4131 2.4131 2.4163 2.4163 3.7648 3.7648 3.7649 3.7649 4.1337 4.1337 4.1342 4.1342 4.7812 4.7812 4.7838 4.7838 12.3907 12.3907 12.3909 12.3909 12.5942 12.5942 12.6041 12.6041 13.2833 13.2833 k = 0.2417 0.3915 0.5377 ( 4264 PWs) bands (ev): -12.8173 -12.8173 -12.8171 -12.8171 -9.9654 -9.9654 -9.9636 -9.9636 -9.7566 -9.7566 -9.7551 -9.7551 -2.5053 -2.5053 -2.5050 -2.5050 -1.1629 -1.1629 -1.1600 -1.1600 0.3175 0.3175 0.3197 0.3197 0.7529 0.7529 0.7622 0.7622 1.5603 1.5603 1.5695 1.5695 2.4258 2.4258 2.4292 2.4292 3.7660 3.7660 3.7664 3.7664 4.1229 4.1229 4.1233 4.1233 4.8150 4.8150 4.8173 4.8173 12.3682 12.3682 12.3683 12.3683 12.5505 12.5505 12.5602 12.5602 13.3345 13.3345 k = 0.2331 0.3775 0.5377 ( 4268 PWs) bands (ev): -12.8234 -12.8234 -12.8232 -12.8232 -9.9227 -9.9227 -9.9209 -9.9209 -9.7846 -9.7846 -9.7831 -9.7831 -2.5738 -2.5738 -2.5736 -2.5736 -1.0914 -1.0914 -1.0881 -1.0881 0.2902 0.2902 0.2922 0.2922 0.7460 0.7460 0.7557 0.7557 1.5653 1.5653 1.5742 1.5742 2.4407 2.4407 2.4443 2.4443 3.7667 3.7667 3.7675 3.7675 4.1134 4.1134 4.1138 4.1138 4.8485 4.8485 4.8507 4.8507 12.3446 12.3446 12.3447 12.3447 12.5034 12.5034 12.5128 12.5128 13.3852 13.3852 k = 0.2245 0.3635 0.5377 ( 4272 PWs) bands (ev): -12.8294 -12.8294 -12.8292 -12.8292 -9.8795 -9.8795 -9.8776 -9.8776 -9.8118 -9.8118 -9.8104 -9.8104 -2.6430 -2.6430 -2.6429 -2.6429 -1.0218 -1.0218 -1.0183 -1.0183 0.2620 0.2620 0.2638 0.2638 0.7398 0.7398 0.7497 0.7497 1.5718 1.5718 1.5802 1.5802 2.4577 2.4577 2.4614 2.4614 3.7670 3.7670 3.7681 3.7681 4.1053 4.1053 4.1056 4.1056 4.8817 4.8817 4.8836 4.8836 12.3209 12.3209 12.3210 12.3210 12.4534 12.4534 12.4625 12.4625 13.4333 13.4333 k = 0.2158 0.3495 0.5377 ( 4280 PWs) bands (ev): -12.8356 -12.8356 -12.8354 -12.8354 -9.8392 -9.8392 -9.8371 -9.8371 -9.8349 -9.8349 -9.8336 -9.8336 -2.7127 -2.7127 -2.7126 -2.7126 -0.9546 -0.9546 -0.9507 -0.9507 0.2332 0.2332 0.2348 0.2348 0.7342 0.7342 0.7444 0.7444 1.5795 1.5795 1.5876 1.5876 2.4766 2.4766 2.4805 2.4805 3.7671 3.7671 3.7686 3.7686 4.0983 4.0983 4.0985 4.0985 4.9144 4.9144 4.9162 4.9162 12.2977 12.2977 12.2980 12.2980 12.4011 12.4011 12.4098 12.4098 13.4766 13.4766 k = 0.2072 0.3355 0.5377 ( 4284 PWs) bands (ev): -12.8417 -12.8417 -12.8415 -12.8415 -9.8639 -9.8639 -9.8625 -9.8625 -9.7917 -9.7917 -9.7898 -9.7898 -2.7827 -2.7827 -2.7827 -2.7827 -0.8898 -0.8898 -0.8856 -0.8856 0.2040 0.2040 0.2054 0.2054 0.7294 0.7294 0.7398 0.7398 1.5884 1.5884 1.5961 1.5961 2.4974 2.4974 2.5013 2.5013 3.7672 3.7672 3.7689 3.7689 4.0924 4.0924 4.0926 4.0926 4.9465 4.9465 4.9481 4.9481 12.2758 12.2758 12.2761 12.2761 12.3470 12.3470 12.3553 12.3553 13.5130 13.5130 k = 0.1986 0.3216 0.5377 ( 4288 PWs) bands (ev): -12.8478 -12.8478 -12.8476 -12.8476 -9.8886 -9.8886 -9.8873 -9.8873 -9.7474 -9.7474 -9.7456 -9.7456 -2.8529 -2.8529 -2.8528 -2.8528 -0.8277 -0.8277 -0.8233 -0.8233 0.1745 0.1745 0.1757 0.1757 0.7254 0.7254 0.7361 0.7361 1.5984 1.5984 1.6057 1.6057 2.5197 2.5197 2.5238 2.5238 3.7672 3.7672 3.7693 3.7693 4.0876 4.0876 4.0878 4.0878 4.9779 4.9779 4.9793 4.9793 12.2555 12.2555 12.2556 12.2556 12.2918 12.2918 12.2995 12.2995 13.5402 13.5402 k = 0.1899 0.3076 0.5377 ( 4292 PWs) bands (ev): -12.8538 -12.8538 -12.8536 -12.8536 -9.9124 -9.9124 -9.9111 -9.9111 -9.7031 -9.7031 -9.7012 -9.7012 -2.9228 -2.9228 -2.9227 -2.9227 -0.7686 -0.7686 -0.7639 -0.7639 0.1449 0.1449 0.1460 0.1460 0.7224 0.7224 0.7333 0.7333 1.6093 1.6093 1.6162 1.6162 2.5433 2.5433 2.5476 2.5476 3.7675 3.7675 3.7699 3.7699 4.0838 4.0838 4.0839 4.0839 5.0085 5.0085 5.0096 5.0096 12.2315 12.2315 12.2367 12.2367 12.2414 12.2414 12.2434 12.2434 13.5562 13.5562 k = 0.1813 0.2936 0.5377 ( 4300 PWs) bands (ev): -12.8599 -12.8599 -12.8597 -12.8597 -9.9353 -9.9353 -9.9340 -9.9340 -9.6588 -9.6588 -9.6570 -9.6570 -2.9925 -2.9925 -2.9922 -2.9922 -0.7127 -0.7127 -0.7076 -0.7076 0.1155 0.1155 0.1164 0.1164 0.7205 0.7205 0.7314 0.7314 1.6210 1.6210 1.6275 1.6275 2.5681 2.5681 2.5725 2.5725 3.7682 3.7682 3.7709 3.7709 4.0808 4.0808 4.0808 4.0808 5.0380 5.0380 5.0390 5.0390 12.1777 12.1777 12.1857 12.1857 12.2214 12.2214 12.2225 12.2225 13.5597 13.5597 k = 0.1727 0.2796 0.5377 ( 4304 PWs) bands (ev): -12.8658 -12.8658 -12.8656 -12.8656 -9.9572 -9.9572 -9.9560 -9.9560 -9.6148 -9.6148 -9.6129 -9.6129 -3.0614 -3.0614 -3.0611 -3.0611 -0.6599 -0.6599 -0.6547 -0.6547 0.0865 0.0865 0.0873 0.0873 0.7196 0.7196 0.7306 0.7306 1.6333 1.6333 1.6395 1.6395 2.5937 2.5937 2.5981 2.5981 3.7694 3.7694 3.7724 3.7724 4.0786 4.0786 4.0786 4.0786 5.0666 5.0666 5.0673 5.0673 12.1214 12.1214 12.1289 12.1289 12.2077 12.2077 12.2087 12.2087 13.5505 13.5505 k = 0.1640 0.2656 0.5377 ( 4304 PWs) bands (ev): -12.8716 -12.8716 -12.8714 -12.8714 -9.9781 -9.9781 -9.9769 -9.9769 -9.5710 -9.5710 -9.5692 -9.5692 -3.1296 -3.1296 -3.1292 -3.1292 -0.6106 -0.6106 -0.6052 -0.6052 0.0579 0.0579 0.0586 0.0586 0.7198 0.7198 0.7309 0.7309 1.6461 1.6461 1.6519 1.6519 2.6198 2.6198 2.6243 2.6243 3.7712 3.7712 3.7745 3.7745 4.0770 4.0770 4.0770 4.0770 5.0939 5.0939 5.0945 5.0945 12.0655 12.0655 12.0725 12.0725 12.1966 12.1966 12.1976 12.1976 13.5295 13.5295 k = 0.1554 0.2517 0.5377 ( 4300 PWs) bands (ev): -12.8773 -12.8773 -12.8771 -12.8771 -9.9979 -9.9979 -9.9968 -9.9968 -9.5278 -9.5278 -9.5260 -9.5260 -3.1965 -3.1965 -3.1961 -3.1961 -0.5647 -0.5647 -0.5591 -0.5591 0.0301 0.0301 0.0306 0.0306 0.7211 0.7211 0.7322 0.7322 1.6592 1.6592 1.6647 1.6647 2.6460 2.6460 2.6506 2.6506 3.7740 3.7740 3.7775 3.7775 4.0760 4.0760 4.0761 4.0761 5.1200 5.1200 5.1204 5.1204 12.0104 12.0104 12.0170 12.0170 12.1881 12.1881 12.1892 12.1892 13.4987 13.4987 k = 0.1468 0.2377 0.5377 ( 4304 PWs) bands (ev): -12.8828 -12.8828 -12.8826 -12.8826 -10.0168 -10.0168 -10.0157 -10.0157 -9.4853 -9.4853 -9.4836 -9.4836 -3.2621 -3.2621 -3.2617 -3.2617 -0.5224 -0.5224 -0.5167 -0.5167 0.0030 0.0030 0.0035 0.0035 0.7236 0.7236 0.7346 0.7346 1.6725 1.6725 1.6776 1.6776 2.6720 2.6720 2.6766 2.6766 3.7777 3.7777 3.7814 3.7814 4.0756 4.0756 4.0757 4.0757 5.1448 5.1448 5.1450 5.1450 11.9564 11.9564 11.9627 11.9627 12.1822 12.1822 12.1833 12.1833 13.4602 13.4602 k = 0.1381 0.2237 0.5377 ( 4304 PWs) bands (ev): -12.8882 -12.8882 -12.8880 -12.8880 -10.0346 -10.0346 -10.0336 -10.0336 -9.4437 -9.4437 -9.4420 -9.4420 -3.3260 -3.3260 -3.3255 -3.3255 -0.4835 -0.4835 -0.4778 -0.4778 -0.0231 -0.0231 -0.0227 -0.0227 0.7272 0.7272 0.7380 0.7380 1.6859 1.6859 1.6907 1.6907 2.6974 2.6974 2.7021 2.7021 3.7825 3.7825 3.7864 3.7864 4.0756 4.0756 4.0757 4.0757 5.1682 5.1682 5.1683 5.1683 11.9040 11.9040 11.9099 11.9099 12.1788 12.1788 12.1800 12.1800 13.4166 13.4166 k = 0.1295 0.2097 0.5377 ( 4288 PWs) bands (ev): -12.8933 -12.8933 -12.8932 -12.8932 -10.0513 -10.0513 -10.0504 -10.0504 -9.4031 -9.4031 -9.4015 -9.4015 -3.3880 -3.3880 -3.3875 -3.3875 -0.4481 -0.4481 -0.4424 -0.4424 -0.0481 -0.0481 -0.0478 -0.0478 0.7319 0.7319 0.7423 0.7423 1.6992 1.6992 1.7037 1.7037 2.7220 2.7220 2.7267 2.7267 3.7885 3.7885 3.7926 3.7926 4.0760 4.0760 4.0761 4.0761 5.1901 5.1901 5.1901 5.1901 11.8534 11.8534 11.8589 11.8589 12.1778 12.1778 12.1790 12.1790 13.3700 13.3700 k = 0.1209 0.1957 0.5377 ( 4288 PWs) bands (ev): -12.8983 -12.8983 -12.8981 -12.8981 -10.0670 -10.0670 -10.0661 -10.0661 -9.3638 -9.3638 -9.3622 -9.3622 -3.4478 -3.4478 -3.4472 -3.4472 -0.4161 -0.4161 -0.4104 -0.4104 -0.0719 -0.0719 -0.0717 -0.0717 0.7374 0.7374 0.7476 0.7476 1.7124 1.7124 1.7165 1.7165 2.7454 2.7454 2.7500 2.7500 3.7957 3.7957 3.7998 3.7998 4.0767 4.0767 4.0769 4.0769 5.2104 5.2104 5.2106 5.2106 11.8048 11.8048 11.8100 11.8100 12.1791 12.1791 12.1804 12.1804 13.3221 13.3221 k = 0.1122 0.1817 0.5377 ( 4288 PWs) bands (ev): -12.9030 -12.9030 -12.9028 -12.9028 -10.0816 -10.0816 -10.0808 -10.0808 -9.3259 -9.3259 -9.3244 -9.3244 -3.5050 -3.5050 -3.5045 -3.5045 -0.3873 -0.3873 -0.3818 -0.3818 -0.0945 -0.0945 -0.0943 -0.0943 0.7438 0.7438 0.7535 0.7535 1.7251 1.7251 1.7289 1.7289 2.7674 2.7674 2.7719 2.7719 3.8040 3.8040 3.8082 3.8082 4.0777 4.0777 4.0778 4.0778 5.2293 5.2293 5.2295 5.2295 11.7586 11.7586 11.7634 11.7634 12.1824 12.1824 12.1837 12.1837 13.2744 13.2744 k = 0.1036 0.1678 0.5377 ( 4296 PWs) bands (ev): -12.9074 -12.9074 -12.9073 -12.9073 -10.0952 -10.0952 -10.0944 -10.0944 -9.2897 -9.2897 -9.2883 -9.2883 -3.5595 -3.5595 -3.5589 -3.5589 -0.3617 -0.3617 -0.3564 -0.3564 -0.1157 -0.1157 -0.1156 -0.1156 0.7508 0.7508 0.7600 0.7600 1.7375 1.7375 1.7410 1.7410 2.7877 2.7877 2.7921 2.7921 3.8135 3.8135 3.8177 3.8177 4.0788 4.0788 4.0790 4.0790 5.2466 5.2466 5.2469 5.2469 11.7149 11.7149 11.7193 11.7193 12.1874 12.1874 12.1887 12.1887 13.2282 13.2282 k = 0.0950 0.1538 0.5377 ( 4292 PWs) bands (ev): -12.9116 -12.9116 -12.9115 -12.9115 -10.1076 -10.1076 -10.1069 -10.1069 -9.2554 -9.2554 -9.2540 -9.2540 -3.6109 -3.6109 -3.6103 -3.6103 -0.3390 -0.3390 -0.3340 -0.3340 -0.1354 -0.1354 -0.1353 -0.1353 0.7582 0.7582 0.7670 0.7670 1.7493 1.7493 1.7524 1.7524 2.8062 2.8062 2.8104 2.8104 3.8239 3.8239 3.8281 3.8281 4.0800 4.0800 4.0802 4.0802 5.2624 5.2624 5.2627 5.2627 11.6740 11.6740 11.6780 11.6780 12.1939 12.1939 12.1951 12.1951 13.1844 13.1844 k = 0.0863 0.1398 0.5377 ( 4284 PWs) bands (ev): -12.9155 -12.9155 -12.9154 -12.9154 -10.1190 -10.1190 -10.1183 -10.1183 -9.2232 -9.2232 -9.2219 -9.2219 -3.6590 -3.6590 -3.6584 -3.6584 -0.3192 -0.3192 -0.3144 -0.3144 -0.1536 -0.1536 -0.1536 -0.1536 0.7660 0.7660 0.7741 0.7741 1.7604 1.7604 1.7633 1.7633 2.8228 2.8228 2.8268 2.8268 3.8351 3.8351 3.8391 3.8391 4.0814 4.0814 4.0816 4.0816 5.2766 5.2766 5.2771 5.2771 11.6360 11.6360 11.6397 11.6397 12.2013 12.2013 12.2025 12.2025 13.1437 13.1437 k = 0.0777 0.1258 0.5377 ( 4292 PWs) bands (ev): -12.9190 -12.9190 -12.9189 -12.9189 -10.1293 -10.1293 -10.1287 -10.1287 -9.1932 -9.1932 -9.1920 -9.1920 -3.7034 -3.7034 -3.7029 -3.7029 -0.3019 -0.3019 -0.2975 -0.2975 -0.1703 -0.1703 -0.1703 -0.1703 0.7738 0.7738 0.7813 0.7813 1.7708 1.7708 1.7734 1.7734 2.8374 2.8374 2.8412 2.8412 3.8468 3.8468 3.8505 3.8505 4.0827 4.0827 4.0829 4.0829 5.2894 5.2894 5.2898 5.2898 11.6011 11.6011 11.6045 11.6045 12.2093 12.2093 12.2104 12.2104 13.1068 13.1068 k = 0.0691 0.1118 0.5377 ( 4282 PWs) bands (ev): -12.9223 -12.9223 -12.9222 -12.9222 -10.1384 -10.1384 -10.1379 -10.1379 -9.1657 -9.1657 -9.1647 -9.1647 -3.7440 -3.7440 -3.7435 -3.7435 -0.2870 -0.2870 -0.2830 -0.2830 -0.1853 -0.1853 -0.1853 -0.1853 0.7816 0.7816 0.7883 0.7883 1.7804 1.7804 1.7827 1.7827 2.8502 2.8502 2.8536 2.8536 3.8586 3.8586 3.8621 3.8621 4.0841 4.0841 4.0842 4.0842 5.3006 5.3006 5.3011 5.3011 11.5696 11.5696 11.5725 11.5725 12.2174 12.2174 12.2185 12.2185 13.0740 13.0740 k = 0.0604 0.0979 0.5377 ( 4266 PWs) bands (ev): -12.9252 -12.9252 -12.9251 -12.9251 -10.1465 -10.1465 -10.1461 -10.1461 -9.1410 -9.1410 -9.1400 -9.1400 -3.7804 -3.7804 -3.7800 -3.7800 -0.2744 -0.2744 -0.2708 -0.2708 -0.1986 -0.1986 -0.1986 -0.1986 0.7890 0.7890 0.7949 0.7949 1.7890 1.7890 1.7910 1.7910 2.8611 2.8611 2.8642 2.8642 3.8702 3.8702 3.8734 3.8734 4.0854 4.0854 4.0855 4.0855 5.3105 5.3105 5.3109 5.3109 11.5414 11.5414 11.5440 11.5440 12.2254 12.2254 12.2264 12.2264 13.0457 13.0457 k = 0.0518 0.0839 0.5377 ( 4266 PWs) bands (ev): -12.9277 -12.9277 -12.9276 -12.9276 -10.1536 -10.1536 -10.1532 -10.1532 -9.1191 -9.1191 -9.1182 -9.1182 -3.8125 -3.8125 -3.8121 -3.8121 -0.2638 -0.2638 -0.2606 -0.2606 -0.2102 -0.2102 -0.2102 -0.2102 0.7959 0.7959 0.8010 0.8010 1.7967 1.7967 1.7984 1.7984 2.8702 2.8702 2.8729 2.8729 3.8813 3.8813 3.8841 3.8841 4.0866 4.0866 4.0867 4.0867 5.3188 5.3188 5.3193 5.3193 11.5167 11.5167 11.5190 11.5190 12.2327 12.2327 12.2336 12.2336 13.0219 13.0219 k = 0.0432 0.0699 0.5377 ( 4262 PWs) bands (ev): -12.9298 -12.9298 -12.9298 -12.9298 -10.1595 -10.1595 -10.1592 -10.1592 -9.1002 -9.1002 -9.0995 -9.0995 -3.8401 -3.8401 -3.8397 -3.8397 -0.2552 -0.2552 -0.2524 -0.2524 -0.2201 -0.2201 -0.2199 -0.2199 0.8021 0.8021 0.8064 0.8064 1.8033 1.8033 1.8047 1.8047 2.8777 2.8777 2.8800 2.8800 3.8914 3.8914 3.8939 3.8939 4.0876 4.0876 4.0877 4.0877 5.3259 5.3259 5.3262 5.3262 11.4957 11.4957 11.4976 11.4976 12.2392 12.2392 12.2400 12.2400 13.0026 13.0026 k = 0.0345 0.0559 0.5377 ( 4270 PWs) bands (ev): -12.9316 -12.9316 -12.9316 -12.9316 -10.1644 -10.1644 -10.1641 -10.1641 -9.0845 -9.0845 -9.0840 -9.0840 -3.8629 -3.8629 -3.8626 -3.8626 -0.2484 -0.2484 -0.2461 -0.2461 -0.2280 -0.2280 -0.2278 -0.2278 0.8075 0.8075 0.8110 0.8110 1.8088 1.8088 1.8099 1.8099 2.8837 2.8837 2.8855 2.8855 3.9003 3.9003 3.9023 3.9023 4.0885 4.0885 4.0886 4.0886 5.3315 5.3315 5.3319 5.3319 11.4785 11.4785 11.4799 11.4799 12.2447 12.2447 12.2453 12.2453 12.9875 12.9875 k = 0.0259 0.0419 0.5377 ( 4270 PWs) bands (ev): -12.9330 -12.9330 -12.9330 -12.9330 -10.1681 -10.1681 -10.1679 -10.1679 -9.0722 -9.0722 -9.0718 -9.0718 -3.8807 -3.8807 -3.8805 -3.8805 -0.2437 -0.2437 -0.2420 -0.2420 -0.2336 -0.2336 -0.2334 -0.2334 0.8119 0.8119 0.8146 0.8146 1.8132 1.8132 1.8140 1.8140 2.8882 2.8882 2.8896 2.8896 3.9076 3.9076 3.9091 3.9091 4.0893 4.0893 4.0893 4.0893 5.3359 5.3359 5.3362 5.3362 11.4650 11.4650 11.4661 11.4661 12.2489 12.2489 12.2494 12.2494 12.9764 12.9764 k = 0.0173 0.0280 0.5377 ( 4260 PWs) bands (ev): -12.9340 -12.9340 -12.9340 -12.9340 -10.1708 -10.1708 -10.1707 -10.1707 -9.0633 -9.0633 -9.0630 -9.0630 -3.8936 -3.8936 -3.8934 -3.8934 -0.2424 -0.2424 -0.2416 -0.2416 -0.2355 -0.2355 -0.2352 -0.2352 0.8153 0.8153 0.8171 0.8171 1.8163 1.8163 1.8169 1.8169 2.8915 2.8915 2.8924 2.8924 3.9131 3.9131 3.9141 3.9141 4.0898 4.0898 4.0899 4.0899 5.3390 5.3390 5.3392 5.3392 11.4554 11.4554 11.4561 11.4561 12.2520 12.2520 12.2523 12.2523 12.9687 12.9688 k = 0.0086 0.0140 0.5377 ( 4244 PWs) bands (ev): -12.9346 -12.9346 -12.9346 -12.9346 -10.1724 -10.1724 -10.1723 -10.1723 -9.0579 -9.0579 -9.0577 -9.0577 -3.9013 -3.9013 -3.9013 -3.9013 -0.2436 -0.2436 -0.2434 -0.2434 -0.2346 -0.2346 -0.2343 -0.2343 0.8175 0.8175 0.8184 0.8184 1.8183 1.8183 1.8186 1.8186 2.8935 2.8935 2.8940 2.8940 3.9166 3.9166 3.9171 3.9171 4.0901 4.0901 4.0902 4.0902 5.3409 5.3409 5.3410 5.3410 11.4497 11.4497 11.4500 11.4500 12.2539 12.2539 12.2540 12.2540 12.9643 12.9644 k = 0.0000 0.0000 0.5377 ( 4248 PWs) bands (ev): -12.9348 -12.9348 -12.9348 -12.9348 -10.1729 -10.1729 -10.1729 -10.1729 -9.0560 -9.0560 -9.0560 -9.0560 -3.9039 -3.9039 -3.9039 -3.9039 -0.2442 -0.2442 -0.2442 -0.2442 -0.2340 -0.2340 -0.2340 -0.2340 0.8186 0.8186 0.8186 0.8186 1.8191 1.8191 1.8191 1.8191 2.8943 2.8943 2.8943 2.8943 3.9179 3.9179 3.9179 3.9179 4.0903 4.0903 4.0903 4.0903 5.3416 5.3416 5.3416 5.3416 11.4479 11.4479 11.4479 11.4479 12.2545 12.2545 12.2545 12.2545 12.9629 12.9629 k = 0.0000 0.0000 0.5377 ( 4248 PWs) bands (ev): -12.9348 -12.9348 -12.9348 -12.9348 -10.1729 -10.1729 -10.1729 -10.1729 -9.0560 -9.0560 -9.0560 -9.0560 -3.9039 -3.9039 -3.9039 -3.9039 -0.2442 -0.2442 -0.2442 -0.2442 -0.2340 -0.2340 -0.2340 -0.2340 0.8186 0.8186 0.8186 0.8186 1.8191 1.8191 1.8191 1.8191 2.8943 2.8943 2.8943 2.8943 3.9179 3.9179 3.9179 3.9179 4.0903 4.0903 4.0903 4.0903 5.3416 5.3416 5.3416 5.3416 11.4479 11.4479 11.4479 11.4479 12.2545 12.2545 12.2545 12.2545 12.9629 12.9629 k = 0.0000 0.0000 0.5214 ( 4254 PWs) bands (ev): -12.9526 -12.9526 -12.9172 -12.9172 -10.2103 -10.2103 -10.1344 -10.1344 -9.0608 -9.0608 -9.0518 -9.0518 -3.9025 -3.9025 -3.9023 -3.9023 -0.3474 -0.3474 -0.2726 -0.2726 -0.2133 -0.2133 -0.1289 -0.1289 0.8091 0.8091 0.8342 0.8342 1.7919 1.7919 1.8411 1.8411 2.8950 2.8950 2.8954 2.8954 3.9094 3.9094 3.9260 3.9260 4.0693 4.0693 4.1107 4.1107 5.3227 5.3227 5.3590 5.3590 11.4481 11.4481 11.4574 11.4574 12.2404 12.2404 12.2684 12.2684 12.9219 12.9219 k = 0.0000 0.0000 0.5051 ( 4254 PWs) bands (ev): -12.9706 -12.9706 -12.8998 -12.8998 -10.2464 -10.2464 -10.0947 -10.0947 -9.0660 -9.0660 -9.0481 -9.0481 -3.8982 -3.8982 -3.8979 -3.8979 -0.4637 -0.4637 -0.3018 -0.3018 -0.1836 -0.1836 -0.0312 -0.0312 0.8080 0.8080 0.8545 0.8545 1.7599 1.7599 1.8579 1.8579 2.8974 2.8974 2.8984 2.8984 3.9005 3.9005 3.9336 3.9336 4.0478 4.0478 4.1304 4.1304 5.3025 5.3025 5.3750 5.3750 11.4582 11.4582 11.4766 11.4766 12.2269 12.2269 12.2808 12.2808 12.8789 12.8789 k = 0.0000 0.0000 0.4888 ( 4254 PWs) bands (ev): -12.9887 -12.9887 -12.8827 -12.8827 -10.2813 -10.2813 -10.0539 -10.0539 -9.0718 -9.0718 -9.0449 -9.0449 -3.8909 -3.8909 -3.8906 -3.8906 -0.5828 -0.5828 -0.3307 -0.3307 -0.1540 -0.1540 0.0550 0.0550 0.8180 0.8180 0.8783 0.8783 1.7232 1.7232 1.8694 1.8694 2.9014 2.9014 2.9034 2.9034 3.8913 3.8913 3.9407 3.9407 4.0262 4.0262 4.1493 4.1493 5.2810 5.2810 5.3895 5.3895 11.4779 11.4779 11.5053 11.5053 12.2144 12.2144 12.2899 12.2899 12.8366 12.8366 k = 0.0000 0.0000 0.4725 ( 4260 PWs) bands (ev): -13.0069 -13.0069 -12.8659 -12.8659 -10.3150 -10.3150 -10.0121 -10.0121 -9.0780 -9.0780 -9.0423 -9.0423 -3.8808 -3.8808 -3.8805 -3.8805 -0.7037 -0.7037 -0.3592 -0.3592 -0.1246 -0.1246 0.1265 0.1265 0.8421 0.8421 0.9048 0.9048 1.6821 1.6821 1.8753 1.8753 2.9068 2.9068 2.9106 2.9106 3.8817 3.8817 3.9471 3.9471 4.0045 4.0045 4.1673 4.1673 5.2583 5.2583 5.4026 5.4026 11.5072 11.5072 11.5433 11.5433 12.2032 12.2032 12.2928 12.2928 12.7985 12.7985 k = 0.0000 0.0000 0.4562 ( 4262 PWs) bands (ev): -13.0251 -13.0251 -12.8495 -12.8495 -10.3474 -10.3474 -9.9694 -9.9694 -9.0846 -9.0846 -9.0403 -9.0403 -3.8680 -3.8680 -3.8675 -3.8675 -0.8255 -0.8255 -0.3872 -0.3872 -0.0954 -0.0954 0.1809 0.1809 0.8820 0.8820 0.9334 0.9334 1.6369 1.6369 1.8757 1.8757 2.9134 2.9134 2.9202 2.9202 3.8720 3.8720 3.9526 3.9526 3.9834 3.9834 4.1846 4.1846 5.2345 5.2345 5.4141 5.4141 11.5459 11.5459 11.5904 11.5904 12.1936 12.1936 12.2864 12.2864 12.7688 12.7688 k = 0.0000 0.0000 0.4399 ( 4260 PWs) bands (ev): -13.0432 -13.0432 -12.8335 -12.8335 -10.3785 -10.3785 -9.9257 -9.9257 -9.0917 -9.0917 -9.0387 -9.0387 -3.8527 -3.8527 -3.8515 -3.8515 -0.9477 -0.9477 -0.4145 -0.4145 -0.0667 -0.0667 0.2181 0.2181 0.9377 0.9377 0.9641 0.9641 1.5879 1.5879 1.8705 1.8705 2.9211 2.9211 2.9323 2.9323 3.8620 3.8620 3.9539 3.9539 3.9664 3.9664 4.2009 4.2009 5.2098 5.2098 5.4243 5.4243 11.5938 11.5938 11.6461 11.6461 12.1855 12.1855 12.2674 12.2674 12.7514 12.7514 k = 0.0000 0.0000 0.4236 ( 4266 PWs) bands (ev): -13.0613 -13.0613 -12.8180 -12.8180 -10.4084 -10.4084 -9.8812 -9.8812 -9.0990 -9.0990 -9.0377 -9.0377 -3.8350 -3.8350 -3.8327 -3.8327 -1.0697 -1.0697 -0.4412 -0.4412 -0.0385 -0.0385 0.2399 0.2399 0.9937 0.9937 1.0094 1.0094 1.5354 1.5354 1.8599 1.8599 2.9298 2.9298 2.9471 2.9471 3.8518 3.8518 3.9385 3.9385 3.9659 3.9659 4.2165 4.2165 5.1841 5.1841 5.4329 5.4329 11.6505 11.6505 11.7101 11.7101 12.1789 12.1789 12.2344 12.2344 12.7481 12.7481 k = 0.0000 0.0000 0.4073 ( 4258 PWs) bands (ev): -13.0792 -13.0792 -12.8029 -12.8029 -10.4369 -10.4369 -9.8361 -9.8361 -9.1067 -9.1067 -9.0372 -9.0372 -3.8150 -3.8150 -3.8111 -3.8111 -1.1911 -1.1911 -0.4670 -0.4670 -0.0111 -0.0111 0.2497 0.2497 1.0275 1.0275 1.0879 1.0879 1.4797 1.4797 1.8438 1.8438 2.9394 2.9394 2.9647 2.9647 3.8415 3.8415 3.9192 3.9192 3.9695 3.9695 4.2313 4.2313 5.1577 5.1577 5.4403 5.4403 11.7158 11.7158 11.7818 11.7818 12.1739 12.1739 12.1885 12.1885 12.7584 12.7584 k = 0.0000 0.0000 0.3911 ( 4264 PWs) bands (ev): -13.0970 -13.0970 -12.7882 -12.7882 -10.4642 -10.4642 -9.7903 -9.7903 -9.1146 -9.1146 -9.0371 -9.0371 -3.7928 -3.7928 -3.7869 -3.7869 -1.3114 -1.3114 -0.4920 -0.4920 0.0155 0.0155 0.2508 0.2508 1.0612 1.0612 1.1734 1.1734 1.4213 1.4213 1.8225 1.8225 2.9496 2.9496 2.9852 2.9852 3.8312 3.8312 3.9004 3.9004 3.9730 3.9730 4.2455 4.2455 5.1307 5.1307 5.4463 5.4463 11.7892 11.7892 11.8607 11.8607 12.1323 12.1323 12.1703 12.1703 12.7800 12.7800 k = 0.0000 0.0000 0.3748 ( 4268 PWs) bands (ev): -13.1144 -13.1144 -12.7741 -12.7741 -10.4902 -10.4902 -9.7441 -9.7441 -9.1227 -9.1227 -9.0375 -9.0375 -3.7685 -3.7685 -3.7602 -3.7602 -1.4303 -1.4303 -0.5161 -0.5161 0.0411 0.0411 0.2459 0.2459 1.0956 1.0956 1.2620 1.2620 1.3605 1.3605 1.7962 1.7962 2.9603 2.9603 3.0088 3.0088 3.8208 3.8208 3.8826 3.8826 3.9759 3.9759 4.2590 4.2590 5.1033 5.1033 5.4510 5.4510 11.8702 11.8702 11.9461 11.9461 12.0687 12.0687 12.1679 12.1679 12.8105 12.8105 k = 0.0000 0.0000 0.3585 ( 4264 PWs) bands (ev): -13.1316 -13.1316 -12.7605 -12.7605 -10.5149 -10.5149 -9.6975 -9.6975 -9.1310 -9.1310 -9.0383 -9.0383 -3.7424 -3.7424 -3.7311 -3.7311 -1.5474 -1.5474 -0.5392 -0.5392 0.0653 0.0653 0.2370 0.2370 1.1306 1.1306 1.2979 1.2979 1.3514 1.3514 1.7651 1.7651 2.9714 2.9714 3.0356 3.0356 3.8104 3.8104 3.8660 3.8660 3.9782 3.9782 4.2720 4.2720 5.0756 5.0756 5.4547 5.4547 11.9586 11.9586 12.0002 12.0002 12.0370 12.0370 12.1666 12.1666 12.8476 12.8476 k = 0.0000 0.0000 0.3422 ( 4266 PWs) bands (ev): -13.1484 -13.1484 -12.7474 -12.7474 -10.5384 -10.5384 -9.6507 -9.6507 -9.1393 -9.1393 -9.0395 -9.0395 -3.7147 -3.7147 -3.6997 -3.6997 -1.6624 -1.6624 -0.5613 -0.5613 0.0881 0.0881 0.2255 0.2255 1.1658 1.1658 1.2340 1.2340 1.4396 1.4396 1.7297 1.7297 2.9827 2.9827 3.0657 3.0657 3.8001 3.8001 3.8507 3.8507 3.9800 3.9800 4.2845 4.2845 5.0478 5.0478 5.4572 5.4572 11.9282 11.9282 12.0538 12.0538 12.1322 12.1322 12.1663 12.1663 12.8899 12.8899 k = 0.0000 0.0000 0.3259 ( 4280 PWs) bands (ev): -13.1649 -13.1649 -12.7349 -12.7349 -10.5607 -10.5607 -9.6039 -9.6039 -9.1478 -9.1478 -9.0410 -9.0410 -3.6855 -3.6855 -3.6663 -3.6663 -1.7750 -1.7750 -0.5822 -0.5822 0.1092 0.1092 0.2123 0.2123 1.1690 1.1690 1.2016 1.2016 1.5252 1.5252 1.6903 1.6903 2.9941 2.9941 3.0990 3.0990 3.7899 3.7899 3.8367 3.8367 3.9811 3.9811 4.2966 4.2966 5.0201 5.0201 5.4588 5.4588 11.8544 11.8544 12.1551 12.1551 12.1667 12.1667 12.2302 12.2302 12.9359 12.9359 k = 0.0000 0.0000 0.3096 ( 4284 PWs) bands (ev): -13.1809 -13.1809 -12.7230 -12.7230 -10.5817 -10.5817 -9.5572 -9.5572 -9.1562 -9.1562 -9.0428 -9.0428 -3.6551 -3.6551 -3.6310 -3.6310 -1.8849 -1.8849 -0.6019 -0.6019 0.1281 0.1281 0.1982 0.1982 1.1043 1.1043 1.2371 1.2371 1.6073 1.6073 1.6475 1.6475 3.0053 3.0053 3.1356 3.1356 3.7798 3.7798 3.8240 3.8240 3.9816 3.9816 4.3083 4.3083 4.9925 4.9925 5.4595 5.4595 11.7797 11.7797 12.1675 12.1675 12.2624 12.2624 12.3280 12.3280 12.9846 12.9846 k = 0.0000 0.0000 0.2933 ( 4290 PWs) bands (ev): -13.1963 -13.1963 -12.7116 -12.7116 -10.6015 -10.6015 -9.5108 -9.5108 -9.1645 -9.1645 -9.0448 -9.0448 -3.6238 -3.6238 -3.5941 -3.5941 -1.9919 -1.9919 -0.6204 -0.6204 0.1445 0.1445 0.1837 0.1837 1.0401 1.0401 1.2727 1.2727 1.6014 1.6014 1.6854 1.6854 3.0162 3.0162 3.1752 3.1752 3.7699 3.7699 3.8127 3.8127 3.9817 3.9817 4.3196 4.3196 4.9654 4.9654 5.4596 5.4596 11.7048 11.7048 12.1687 12.1687 12.3748 12.3748 12.4208 12.4208 12.9957 12.9957 k = 0.0000 0.0000 0.2770 ( 4286 PWs) bands (ev): -13.2113 -13.2113 -12.7009 -12.7009 -10.6202 -10.6202 -9.4649 -9.4649 -9.1727 -9.1727 -9.0471 -9.0471 -3.5916 -3.5916 -3.5557 -3.5557 -2.0954 -2.0954 -0.6376 -0.6376 0.1577 0.1577 0.1692 0.1692 0.9773 0.9773 1.3082 1.3082 1.5530 1.5530 1.7586 1.7586 3.0267 3.0267 3.2177 3.2177 3.7604 3.7604 3.8027 3.8027 3.9813 3.9813 4.3307 4.3307 4.9388 4.9388 5.4590 5.4590 11.6303 11.6303 12.1701 12.1701 12.4909 12.4909 12.5003 12.5003 12.9836 12.9836 k = 0.0000 0.0000 0.2607 ( 4282 PWs) bands (ev): -13.2256 -13.2256 -12.6907 -12.6907 -10.6376 -10.6376 -9.4197 -9.4197 -9.1808 -9.1808 -9.0495 -9.0495 -3.5590 -3.5590 -3.5162 -3.5162 -2.1954 -2.1954 -0.6535 -0.6535 0.1539 0.1539 0.1684 0.1684 0.9170 0.9170 1.3432 1.3432 1.5027 1.5027 1.8267 1.8267 3.0366 3.0366 3.2627 3.2627 3.7511 3.7511 3.7939 3.7939 3.9805 3.9805 4.3415 4.3415 4.9130 4.9130 5.4579 5.4579 11.5569 11.5569 12.1715 12.1715 12.5492 12.5492 12.6133 12.6133 12.9727 12.9727 k = 0.0000 0.0000 0.2444 ( 4280 PWs) bands (ev): -13.2393 -13.2393 -12.6811 -12.6811 -10.6539 -10.6539 -9.3755 -9.3755 -9.1887 -9.1887 -9.0520 -9.0520 -3.5262 -3.5262 -3.4758 -3.4758 -2.2915 -2.2915 -0.6681 -0.6681 0.1399 0.1399 0.1739 0.1739 0.8602 0.8602 1.3778 1.3778 1.4510 1.4510 1.8896 1.8896 3.0458 3.0458 3.3095 3.3095 3.7423 3.7423 3.7862 3.7862 3.9793 3.9793 4.3519 4.3519 4.8880 4.8880 5.4564 5.4564 11.4849 11.4849 12.1728 12.1728 12.5591 12.5591 12.7378 12.7378 12.9635 12.9635 k = 0.0000 0.0000 0.2281 ( 4276 PWs) bands (ev): -13.2523 -13.2523 -12.6722 -12.6722 -10.6691 -10.6691 -9.3324 -9.3324 -9.1963 -9.1963 -9.0546 -9.0546 -3.4935 -3.4935 -3.4349 -3.4349 -2.3833 -2.3833 -0.6813 -0.6813 0.1262 0.1262 0.1746 0.1746 0.8080 0.8080 1.3986 1.3986 1.4118 1.4118 1.9471 1.9471 3.0541 3.0541 3.3577 3.3577 3.7341 3.7341 3.7795 3.7795 3.9779 3.9779 4.3621 4.3621 4.8640 4.8640 5.4547 5.4547 11.4149 11.4149 12.1737 12.1737 12.5333 12.5333 12.8651 12.8651 12.9561 12.9561 k = 0.0000 0.0000 0.2118 ( 4278 PWs) bands (ev): -13.2646 -13.2646 -12.6639 -12.6639 -10.6831 -10.6831 -9.2908 -9.2908 -9.2035 -9.2035 -9.0573 -9.0573 -3.4611 -3.4611 -3.3938 -3.3938 -2.4706 -2.4706 -0.6932 -0.6932 0.1130 0.1130 0.1697 0.1697 0.7616 0.7616 1.3461 1.3461 1.4447 1.4447 1.9994 1.9994 3.0615 3.0615 3.4064 3.4064 3.7265 3.7265 3.7738 3.7738 3.9764 3.9764 4.3718 4.3718 4.8411 4.8411 5.4529 5.4529 11.3473 11.3473 12.1743 12.1743 12.4873 12.4873 12.9504 12.9504 12.9946 12.9946 k = 0.0000 0.0000 0.1955 ( 4286 PWs) bands (ev): -13.2761 -13.2761 -12.6561 -12.6561 -10.6960 -10.6960 -9.2508 -9.2508 -9.2104 -9.2104 -9.0599 -9.0599 -3.4295 -3.4295 -3.3529 -3.3529 -2.5531 -2.5531 -0.7037 -0.7037 0.1006 0.1006 0.1587 0.1587 0.7220 0.7220 1.2941 1.2941 1.4766 1.4766 2.0466 2.0466 3.0678 3.0678 3.4547 3.4547 3.7198 3.7198 3.7690 3.7690 3.9748 3.9748 4.3812 4.3812 4.8195 4.8195 5.4510 5.4510 11.2825 11.2825 12.1746 12.1746 12.4325 12.4325 12.9465 12.9465 13.1254 13.1254 k = 0.0000 0.0000 0.1792 ( 4290 PWs) bands (ev): -13.2869 -13.2869 -12.6490 -12.6490 -10.7079 -10.7079 -9.2175 -9.2175 -9.2122 -9.2122 -9.0625 -9.0625 -3.3988 -3.3988 -3.3126 -3.3126 -2.6304 -2.6304 -0.7129 -0.7129 0.0889 0.0889 0.1415 0.1415 0.6896 0.6896 1.2432 1.2432 1.5073 1.5073 2.0890 2.0890 3.0731 3.0731 3.5016 3.5016 3.7145 3.7145 3.7649 3.7649 3.9732 3.9732 4.3902 4.3902 4.7993 4.7993 5.4492 5.4492 11.2209 11.2209 12.1744 12.1744 12.3755 12.3755 12.9443 12.9443 13.2569 13.2569 k = 0.0000 0.0000 0.1629 ( 4290 PWs) bands (ev): -13.2968 -13.2968 -12.6426 -12.6426 -10.7186 -10.7186 -9.2232 -9.2232 -9.1767 -9.1767 -9.0649 -9.0649 -3.3694 -3.3694 -3.2734 -3.2734 -2.7023 -2.7023 -0.7208 -0.7208 0.0781 0.0781 0.1187 0.1187 0.6644 0.6644 1.1940 1.1940 1.5364 1.5364 2.1267 2.1267 3.0774 3.0774 3.5454 3.5454 3.7112 3.7112 3.7615 3.7615 3.9717 3.9717 4.3987 4.3987 4.7805 4.7805 5.4475 5.4475 11.1629 11.1629 12.1739 12.1739 12.3196 12.3196 12.9436 12.9436 13.3879 13.3879 k = 0.0000 0.0000 0.1466 ( 4294 PWs) bands (ev): -13.3059 -13.3059 -12.6367 -12.6367 -10.7283 -10.7283 -9.2288 -9.2288 -9.1433 -9.1433 -9.0673 -9.0673 -3.3417 -3.3417 -3.2357 -3.2357 -2.7684 -2.7684 -0.7274 -0.7274 0.0682 0.0682 0.0916 0.0916 0.6457 0.6457 1.1471 1.1471 1.5638 1.5638 2.1601 2.1601 3.0806 3.0806 3.5841 3.5841 3.7114 3.7114 3.7588 3.7588 3.9703 3.9703 4.4066 4.4066 4.7633 4.7633 5.4460 5.4460 11.1089 11.1089 12.1730 12.1730 12.2665 12.2665 12.9442 12.9442 13.4949 13.4949 k = 0.0000 0.0000 0.1304 ( 4306 PWs) bands (ev): -13.3140 -13.3140 -12.6315 -12.6315 -10.7369 -10.7369 -9.2339 -9.2339 -9.1125 -9.1125 -9.0695 -9.0695 -3.3159 -3.3159 -3.2001 -3.2001 -2.8285 -2.8285 -0.7330 -0.7330 0.0587 0.0587 0.0622 0.0622 0.6325 0.6325 1.1032 1.1032 1.5892 1.5892 2.1893 2.1893 3.0829 3.0829 3.6144 3.6144 3.7176 3.7176 3.7568 3.7568 3.9691 3.9691 4.4139 4.4139 4.7476 4.7476 5.4447 5.4447 11.0593 11.0593 12.1719 12.1719 12.2174 12.2174 12.9459 12.9459 13.5343 13.5343 k = 0.0000 0.0000 0.1141 ( 4302 PWs) bands (ev): -13.3213 -13.3213 -12.6268 -12.6268 -10.7445 -10.7445 -9.2385 -9.2385 -9.0848 -9.0848 -9.0714 -9.0714 -3.2923 -3.2923 -3.1669 -3.1669 -2.8823 -2.8823 -0.7375 -0.7375 0.0306 0.0306 0.0514 0.0514 0.6237 0.6237 1.0628 1.0628 1.6124 1.6124 2.2146 2.2146 3.0844 3.0844 3.6332 3.6332 3.7315 3.7315 3.7561 3.7561 3.9681 3.9681 4.4206 4.4206 4.7337 4.7337 5.4436 5.4436 11.0145 11.0145 12.1701 12.1701 12.1735 12.1735 12.9483 12.9483 13.5691 13.5691 k = 0.0000 0.0000 0.0978 ( 4292 PWs) bands (ev): -13.3277 -13.3277 -12.6228 -12.6228 -10.7510 -10.7510 -9.2425 -9.2425 -9.0736 -9.0736 -9.0598 -9.0598 -3.2712 -3.2712 -3.1369 -3.1369 -2.9295 -2.9295 -0.7410 -0.7410 0.0005 0.0005 0.0444 0.0444 0.6180 0.6180 1.0265 1.0265 1.6332 1.6332 2.2361 2.2361 3.0852 3.0852 3.6418 3.6418 3.7461 3.7461 3.7618 3.7618 3.9673 3.9673 4.4265 4.4265 4.7215 4.7215 5.4428 5.4428 10.9749 10.9749 12.1337 12.1337 12.1693 12.1693 12.9512 12.9512 13.5992 13.5992 k = 0.0000 0.0000 0.0815 ( 4284 PWs) bands (ev): -13.3331 -13.3331 -12.6195 -12.6195 -10.7566 -10.7566 -9.2460 -9.2460 -9.0750 -9.0750 -9.0386 -9.0386 -3.2528 -3.2528 -3.1104 -3.1104 -2.9698 -2.9698 -0.7437 -0.7437 -0.0276 -0.0276 0.0385 0.0385 0.6145 0.6145 0.9948 0.9948 1.6512 1.6512 2.2541 2.2541 3.0854 3.0854 3.6448 3.6448 3.7489 3.7489 3.7815 3.7815 3.9667 3.9667 4.4316 4.4316 4.7111 4.7111 5.4421 5.4421 10.9407 10.9407 12.1001 12.1001 12.1680 12.1680 12.9542 12.9542 13.6244 13.6244 k = 0.0000 0.0000 0.0652 ( 4284 PWs) bands (ev): -13.3375 -13.3375 -12.6167 -12.6167 -10.7611 -10.7611 -9.2488 -9.2488 -9.0763 -9.0763 -9.0209 -9.0209 -3.2375 -3.2375 -3.0880 -3.0880 -3.0032 -3.0032 -0.7458 -0.7458 -0.0522 -0.0522 0.0336 0.0336 0.6125 0.6125 0.9681 0.9681 1.6663 1.6663 2.2686 2.2686 3.0854 3.0854 3.6453 3.6453 3.7488 3.7488 3.8025 3.8025 3.9663 3.9663 4.4359 4.4359 4.7026 4.7026 5.4417 5.4417 10.9123 10.9123 12.0723 12.0723 12.1668 12.1668 12.9572 12.9572 13.6447 13.6447 k = 0.0000 0.0000 0.0489 ( 4290 PWs) bands (ev): -13.3410 -13.3410 -12.6145 -12.6145 -10.7646 -10.7646 -9.2511 -9.2511 -9.0773 -9.0773 -9.0070 -9.0070 -3.2254 -3.2254 -3.0700 -3.0700 -3.0293 -3.0293 -0.7472 -0.7472 -0.0724 -0.0724 0.0298 0.0298 0.6115 0.6115 0.9469 0.9469 1.6783 1.6783 2.2798 2.2798 3.0851 3.0851 3.6448 3.6448 3.7484 3.7484 3.8203 3.8203 3.9660 3.9660 4.4392 4.4392 4.6959 4.6959 5.4414 5.4414 10.8899 10.8899 12.0504 12.0504 12.1658 12.1658 12.9598 12.9598 13.6603 13.6603 k = 0.0000 0.0000 0.0326 ( 4285 PWs) bands (ev): -13.3435 -13.3435 -12.6130 -12.6130 -10.7671 -10.7671 -9.2527 -9.2527 -9.0781 -9.0781 -8.9970 -8.9970 -3.2166 -3.2166 -3.0569 -3.0569 -3.0481 -3.0481 -0.7481 -0.7481 -0.0874 -0.0874 0.0270 0.0270 0.6110 0.6110 0.9315 0.9315 1.6869 1.6869 2.2878 2.2878 3.0848 3.0848 3.6442 3.6442 3.7480 3.7480 3.8336 3.8336 3.9659 3.9659 4.4417 4.4417 4.6911 4.6911 5.4413 5.4413 10.8738 10.8738 12.0347 12.0347 12.1650 12.1650 12.9618 12.9618 13.6712 13.6712 k = 0.0000 0.0000 0.0163 ( 4289 PWs) bands (ev): -13.3450 -13.3450 -12.6121 -12.6121 -10.7686 -10.7686 -9.2536 -9.2536 -9.0785 -9.0785 -8.9909 -8.9909 -3.2112 -3.2112 -3.0594 -3.0594 -3.0489 -3.0489 -0.7487 -0.7487 -0.0966 -0.0966 0.0254 0.0254 0.6108 0.6108 0.9221 0.9221 1.6922 1.6922 2.2925 2.2925 3.0846 3.0846 3.6437 3.6437 3.7478 3.7478 3.8417 3.8417 3.9658 3.9658 4.4431 4.4431 4.6882 4.6882 5.4412 5.4412 10.8640 10.8640 12.0252 12.0252 12.1645 12.1645 12.9631 12.9631 13.6777 13.6777 k = 0.0000 0.0000 0.0000 ( 4291 PWs) bands (ev): -13.3455 -13.3455 -12.6118 -12.6118 -10.7691 -10.7691 -9.2540 -9.2540 -9.0787 -9.0787 -8.9888 -8.9888 -3.2095 -3.2095 -3.0632 -3.0632 -3.0462 -3.0462 -0.7488 -0.7488 -0.0998 -0.0998 0.0248 0.0248 0.6108 0.6108 0.9190 0.9190 1.6939 1.6939 2.2941 2.2941 3.0845 3.0845 3.6435 3.6435 3.7477 3.7477 3.8445 3.8445 3.9658 3.9658 4.4436 4.4436 4.6872 4.6872 5.4412 5.4412 10.8608 10.8608 12.0221 12.0221 12.1644 12.1644 12.9635 12.9635 13.6798 13.6798 k = 0.0000 0.0000 0.0000 ( 4291 PWs) bands (ev): -13.3455 -13.3455 -12.6118 -12.6118 -10.7691 -10.7691 -9.2540 -9.2540 -9.0787 -9.0787 -8.9888 -8.9888 -3.2095 -3.2095 -3.0632 -3.0632 -3.0462 -3.0462 -0.7488 -0.7488 -0.0998 -0.0998 0.0248 0.0248 0.6108 0.6108 0.9190 0.9190 1.6939 1.6939 2.2941 2.2941 3.0845 3.0845 3.6435 3.6435 3.7477 3.7477 3.8445 3.8445 3.9658 3.9658 4.4436 4.4436 4.6872 4.6872 5.4412 5.4412 10.8608 10.8608 12.0221 12.0221 12.1644 12.1644 12.9635 12.9635 13.6798 13.6798 k =-0.0139 0.0086 0.0000 ( 4291 PWs) bands (ev): -13.3448 -13.3448 -12.6118 -12.6118 -10.7707 -10.7707 -9.2538 -9.2537 -9.0793 -9.0788 -8.9888 -8.9881 -3.2072 -3.2070 -3.0902 -3.0894 -3.0190 -3.0179 -0.7495 -0.7492 -0.1006 -0.1006 0.0262 0.0262 0.6089 0.6092 0.9182 0.9183 1.6952 1.6952 2.2950 2.2951 3.0836 3.0836 3.6419 3.6422 3.7449 3.7457 3.8441 3.8446 3.9657 3.9658 4.4424 4.4428 4.6892 4.6893 5.4403 5.4403 10.8640 10.8641 12.0061 12.0079 12.1793 12.1802 12.9635 12.9636 13.6790 13.6793 k =-0.0278 0.0172 0.0000 ( 4295 PWs) bands (ev): -13.3428 -13.3428 -12.6119 -12.6118 -10.7757 -10.7756 -9.2531 -9.2529 -9.0805 -9.0796 -8.9878 -8.9866 -3.2003 -3.1999 -3.1227 -3.1220 -2.9835 -2.9821 -0.7511 -0.7505 -0.1033 -0.1032 0.0304 0.0304 0.6036 0.6042 0.9159 0.9161 1.6992 1.6992 2.2976 2.2978 3.0810 3.0811 3.6370 3.6376 3.7376 3.7390 3.8435 3.8445 3.9656 3.9657 4.4393 4.4400 4.6951 4.6953 5.4376 5.4377 10.8738 10.8739 11.9718 11.9746 12.2141 12.2151 12.9635 12.9637 13.6768 13.6776 k =-0.0417 0.0257 0.0000 ( 4299 PWs) bands (ev): -13.3395 -13.3395 -12.6121 -12.6119 -10.7839 -10.7838 -9.2520 -9.2517 -9.0823 -9.0810 -8.9862 -8.9844 -3.1888 -3.1881 -3.1543 -3.1538 -2.9466 -2.9450 -0.7536 -0.7527 -0.1076 -0.1075 0.0373 0.0374 0.5950 0.5959 0.9122 0.9124 1.7056 1.7056 2.3020 2.3023 3.0768 3.0769 3.6283 3.6291 3.7268 3.7285 3.8428 3.8441 3.9653 3.9655 4.4348 4.4357 4.7044 4.7046 5.4333 5.4333 10.8900 10.8902 11.9313 11.9348 12.2560 12.2568 12.9636 12.9639 13.6735 13.6746 k =-0.0556 0.0343 0.0000 ( 4295 PWs) bands (ev): -13.3349 -13.3349 -12.6122 -12.6121 -10.7952 -10.7951 -9.2505 -9.2501 -9.0846 -9.0830 -8.9839 -8.9816 -3.1849 -3.1845 -3.1726 -3.1718 -2.9087 -2.9070 -0.7570 -0.7559 -0.1136 -0.1134 0.0469 0.0470 0.5831 0.5843 0.9069 0.9073 1.7146 1.7146 2.3081 2.3085 3.0710 3.0710 3.6143 3.6151 3.7138 3.7155 3.8420 3.8434 3.9649 3.9650 4.4294 4.4305 4.7165 4.7167 5.4272 5.4273 10.9125 10.9127 11.8894 11.8934 12.3002 12.3005 12.9637 12.9640 13.6690 13.6704 k =-0.0694 0.0429 0.0000 ( 4289 PWs) bands (ev): -13.3290 -13.3290 -12.6125 -12.6123 -10.8096 -10.8094 -9.2486 -9.2481 -9.0872 -9.0853 -8.9812 -8.9785 -3.2141 -3.2139 -3.1520 -3.1509 -2.8700 -2.8680 -0.7613 -0.7598 -0.1212 -0.1210 0.0592 0.0593 0.5681 0.5695 0.9001 0.9006 1.7261 1.7261 2.3159 2.3164 3.0637 3.0637 3.5936 3.5943 3.7005 3.7018 3.8412 3.8425 3.9641 3.9643 4.4238 4.4250 4.7307 4.7309 5.4195 5.4196 10.9411 10.9413 11.8482 11.8527 12.3444 12.3444 12.9638 12.9642 13.6635 13.6652 k =-0.0833 0.0515 0.0000 ( 4291 PWs) bands (ev): -13.3218 -13.3218 -12.6128 -12.6125 -10.8270 -10.8268 -9.2463 -9.2458 -9.0900 -9.0878 -8.9781 -8.9750 -3.2422 -3.2421 -3.1270 -3.1257 -2.8305 -2.8283 -0.7663 -0.7646 -0.1305 -0.1302 0.0741 0.0742 0.5500 0.5516 0.8919 0.8924 1.7400 1.7400 2.3253 2.3258 3.0549 3.0549 3.5653 3.5657 3.6878 3.6886 3.8402 3.8414 3.9629 3.9631 4.4185 4.4197 4.7463 4.7465 5.4103 5.4104 10.9755 10.9758 11.8085 11.8134 12.3875 12.3879 12.9639 12.9644 13.6571 13.6591 k =-0.0972 0.0600 0.0000 ( 4279 PWs) bands (ev): -13.3134 -13.3134 -12.6131 -12.6128 -10.8472 -10.8469 -9.2438 -9.2432 -9.0928 -9.0905 -8.9748 -8.9714 -3.2690 -3.2689 -3.0976 -3.0960 -2.7903 -2.7879 -0.7719 -0.7699 -0.1412 -0.1409 0.0914 0.0916 0.5290 0.5309 0.8822 0.8828 1.7562 1.7562 2.3361 2.3368 3.0448 3.0449 3.5291 3.5293 3.6759 3.6761 3.8393 3.8402 3.9611 3.9613 4.4139 4.4152 4.7629 4.7629 5.3996 5.3997 11.0155 11.0158 11.7712 11.7764 12.4292 12.4298 12.9640 12.9646 13.6500 13.6521 k =-0.1111 0.0686 0.0000 ( 4280 PWs) bands (ev): -13.3037 -13.3037 -12.6135 -12.6131 -10.8700 -10.8697 -9.2410 -9.2404 -9.0956 -9.0932 -8.9714 -8.9678 -3.2946 -3.2944 -3.0640 -3.0622 -2.7495 -2.7469 -0.7781 -0.7758 -0.1533 -0.1531 0.1111 0.1113 0.5054 0.5075 0.8711 0.8717 1.7746 1.7746 2.3484 2.3491 3.0336 3.0336 3.4859 3.4859 3.6641 3.6645 3.8384 3.8391 3.9587 3.9588 4.4105 4.4117 4.7797 4.7798 5.3875 5.3876 11.0606 11.0611 11.7365 11.7422 12.4688 12.4698 12.9642 12.9648 13.6423 13.6445 k =-0.1250 0.0772 0.0000 ( 4282 PWs) bands (ev): -13.2927 -13.2927 -12.6139 -12.6135 -10.8953 -10.8950 -9.2380 -9.2373 -9.0983 -9.0957 -8.9681 -8.9642 -3.3188 -3.3184 -3.0263 -3.0243 -2.7081 -2.7053 -0.7847 -0.7822 -0.1668 -0.1666 0.1331 0.1334 0.4792 0.4815 0.8584 0.8591 1.7951 1.7952 2.3619 2.3627 3.0213 3.0214 3.4363 3.4365 3.6519 3.6527 3.8376 3.8381 3.9553 3.9555 4.4083 4.4094 4.7965 4.7968 5.3741 5.3742 11.1107 11.1111 11.7050 11.7110 12.5061 12.5073 12.9645 12.9651 13.6341 13.6364 k =-0.1389 0.0858 0.0000 ( 4286 PWs) bands (ev): -13.2806 -13.2806 -12.6143 -12.6139 -10.9229 -10.9225 -9.2350 -9.2342 -9.1007 -9.0981 -8.9648 -8.9607 -3.3416 -3.3411 -2.9847 -2.9825 -2.6662 -2.6632 -0.7917 -0.7889 -0.1815 -0.1813 0.1573 0.1576 0.4507 0.4531 0.8442 0.8450 1.8176 1.8177 2.3765 2.3774 3.0080 3.0082 3.3816 3.3818 3.6390 3.6403 3.8370 3.8373 3.9511 3.9512 4.4075 4.4085 4.8129 4.8134 5.3595 5.3597 11.1652 11.1657 11.6770 11.6833 12.5406 12.5420 12.9651 12.9657 13.6256 13.6280 k =-0.1528 0.0943 0.0000 ( 4270 PWs) bands (ev): -13.2673 -13.2673 -12.6148 -12.6143 -10.9526 -10.9522 -9.2318 -9.2310 -9.1030 -9.1003 -8.9617 -8.9575 -3.3630 -3.3625 -2.9394 -2.9370 -2.6240 -2.6208 -0.7989 -0.7959 -0.1973 -0.1972 0.1835 0.1838 0.4200 0.4227 0.8286 0.8294 1.8421 1.8422 2.3922 2.3931 2.9941 2.9943 3.3223 3.3226 3.6251 3.6267 3.8367 3.8368 3.9458 3.9459 4.4082 4.4091 4.8287 4.8294 5.3439 5.3441 11.2238 11.2244 11.6527 11.6592 12.5721 12.5735 12.9663 12.9668 13.6171 13.6195 k =-0.1667 0.1029 0.0000 ( 4274 PWs) bands (ev): -13.2529 -13.2529 -12.6153 -12.6148 -10.9842 -10.9838 -9.2286 -9.2278 -9.1049 -9.1022 -8.9589 -8.9545 -3.3830 -3.3824 -2.8906 -2.8880 -2.5814 -2.5780 -0.8062 -0.8029 -0.2141 -0.2141 0.2116 0.2119 0.3875 0.3902 0.8114 0.8123 1.8682 1.8684 2.4087 2.4097 2.9795 2.9798 3.2592 3.2595 3.6100 3.6118 3.8365 3.8366 3.9395 3.9396 4.4103 4.4110 4.8437 4.8445 5.3275 5.3277 11.2861 11.2867 11.6324 11.6391 12.5999 12.6014 12.9682 12.9686 13.6085 13.6109 k =-0.1806 0.1115 0.0000 ( 4264 PWs) bands (ev): -13.2374 -13.2373 -12.6158 -12.6153 -11.0175 -11.0171 -9.2254 -9.2245 -9.1065 -9.1037 -8.9564 -8.9519 -3.4017 -3.4010 -2.8384 -2.8356 -2.5385 -2.5350 -0.8135 -0.8099 -0.2319 -0.2318 0.2414 0.2417 0.3532 0.3561 0.7927 0.7937 1.8961 1.8963 2.4259 2.4269 2.9644 2.9648 3.1929 3.1932 3.5933 3.5954 3.8366 3.8368 3.9321 3.9322 4.4138 4.4143 4.8576 4.8586 5.3103 5.3106 11.3517 11.3524 11.6161 11.6230 12.6238 12.6252 12.9712 12.9715 13.6000 13.6024 k =-0.1944 0.1201 0.0000 ( 4248 PWs) bands (ev): -13.2208 -13.2208 -12.6163 -12.6159 -11.0523 -11.0519 -9.2223 -9.2214 -9.1077 -9.1049 -8.9542 -8.9496 -3.4189 -3.4182 -2.7832 -2.7801 -2.4956 -2.4918 -0.8206 -0.8167 -0.2504 -0.2502 0.2727 0.2731 0.3175 0.3204 0.7725 0.7734 1.9255 1.9257 2.4436 2.4447 2.9489 2.9494 3.1242 3.1245 3.5751 3.5774 3.8370 3.8373 3.9236 3.9237 4.4185 4.4189 4.8703 4.8715 5.2926 5.2929 11.4202 11.4209 11.6040 11.6111 12.6433 12.6446 12.9756 12.9758 13.5918 13.5941 k =-0.2083 0.1286 0.0000 ( 4248 PWs) bands (ev): -13.2033 -13.2033 -12.6169 -12.6164 -11.0884 -11.0880 -9.2192 -9.2183 -9.1085 -9.1057 -8.9524 -8.9477 -3.4348 -3.4340 -2.7251 -2.7218 -2.4526 -2.4486 -0.8274 -0.8233 -0.2695 -0.2691 0.2799 0.2833 0.3059 0.3059 0.7507 0.7517 1.9562 1.9565 2.4616 2.4627 2.9333 2.9339 3.0536 3.0539 3.5553 3.5577 3.8378 3.8381 3.9141 3.9142 4.4243 4.4245 4.8818 4.8831 5.2746 5.2748 11.4911 11.4919 11.5962 11.6034 12.6582 12.6593 12.9818 12.9818 13.5839 13.5860 k =-0.2222 0.1372 0.0000 ( 4256 PWs) bands (ev): -13.1848 -13.1848 -12.6175 -12.6170 -11.1255 -11.1252 -9.2163 -9.2154 -9.1089 -9.1061 -8.9510 -8.9463 -3.4494 -3.4485 -2.6644 -2.6609 -2.4097 -2.4055 -0.8338 -0.8294 -0.2890 -0.2885 0.2420 0.2451 0.3395 0.3396 0.7273 0.7284 1.9882 1.9885 2.4796 2.4808 2.9175 2.9182 2.9819 2.9822 3.5338 3.5363 3.8388 3.8392 3.9036 3.9037 4.4310 4.4310 4.8918 4.8933 5.2562 5.2565 11.5641 11.5650 11.5927 11.6000 12.6681 12.6690 12.9897 12.9898 13.5763 13.5784 k =-0.2361 0.1458 0.0000 ( 4252 PWs) bands (ev): -13.1655 -13.1655 -12.6181 -12.6176 -11.1635 -11.1632 -9.2134 -9.2126 -9.1089 -9.1060 -8.9501 -8.9453 -3.4626 -3.4617 -2.6015 -2.5978 -2.3669 -2.3626 -0.8396 -0.8349 -0.3088 -0.3081 0.2029 0.2060 0.3738 0.3740 0.7026 0.7037 2.0213 2.0217 2.4972 2.4985 2.9015 2.9024 2.9101 2.9104 3.5106 3.5133 3.8400 3.8404 3.8923 3.8924 4.4383 4.4384 4.9005 4.9021 5.2379 5.2382 11.5935 11.6009 11.6388 11.6398 12.6732 12.6738 12.9995 12.9997 13.5692 13.5711 k =-0.2500 0.1544 0.0000 ( 4256 PWs) bands (ev): -13.1455 -13.1454 -12.6187 -12.6181 -11.2022 -11.2019 -9.2108 -9.2099 -9.1084 -9.1055 -8.9496 -8.9448 -3.4746 -3.4737 -2.5366 -2.5327 -2.3244 -2.3200 -0.8446 -0.8396 -0.3286 -0.3277 0.1631 0.1661 0.4083 0.4085 0.6768 0.6779 2.0553 2.0558 2.5138 2.5151 2.8389 2.8391 2.8861 2.8870 3.4859 3.4887 3.8412 3.8416 3.8803 3.8806 4.4460 4.4463 4.9078 4.9095 5.2196 5.2200 11.5985 11.6060 11.7148 11.7158 12.6735 12.6738 13.0110 13.0113 13.5625 13.5642 k =-0.2639 0.1630 0.0000 ( 4248 PWs) bands (ev): -13.1247 -13.1247 -12.6192 -12.6187 -11.2413 -11.2410 -9.2083 -9.2074 -9.1075 -9.1046 -8.9496 -8.9447 -3.4854 -3.4845 -2.4702 -2.4660 -2.2824 -2.2779 -0.8487 -0.8434 -0.3483 -0.3471 0.1228 0.1258 0.4415 0.4418 0.6509 0.6520 2.0901 2.0907 2.5280 2.5292 2.7706 2.7709 2.8705 2.8716 3.4597 3.4625 3.8421 3.8423 3.8682 3.8686 4.4542 4.4546 4.9138 4.9156 5.2017 5.2020 11.6077 11.6151 11.7917 11.7927 12.6695 12.6696 13.0239 13.0243 13.5562 13.5579 k =-0.2778 0.1715 0.0000 ( 4246 PWs) bands (ev): -13.1034 -13.1033 -12.6198 -12.6193 -11.2805 -11.2802 -9.2059 -9.2051 -9.1062 -9.1032 -8.9500 -8.9452 -3.4950 -3.4940 -2.4025 -2.3982 -2.2410 -2.2363 -0.8516 -0.8460 -0.3677 -0.3662 0.0822 0.0850 0.4708 0.4712 0.6274 0.6284 2.1254 2.1261 2.5361 2.5372 2.7092 2.7096 2.8552 2.8565 3.4321 3.4350 3.8406 3.8406 3.8580 3.8587 4.4626 4.4630 4.9184 4.9203 5.1841 5.1845 11.6208 11.6283 11.8690 11.8701 12.6613 12.6615 13.0377 13.0381 13.5505 13.5519 k =-0.2917 0.1801 0.0000 ( 4244 PWs) bands (ev): -13.0816 -13.0816 -12.6204 -12.6199 -11.3197 -11.3194 -9.2038 -9.2030 -9.1044 -9.1014 -8.9510 -8.9461 -3.5035 -3.5025 -2.3342 -2.3297 -2.2003 -2.1955 -0.8532 -0.8473 -0.3865 -0.3848 0.0415 0.0441 0.4888 0.4895 0.6131 0.6139 2.1612 2.1620 2.5286 2.5293 2.6645 2.6654 2.8403 2.8416 3.4033 3.4062 3.8322 3.8324 3.8540 3.8548 4.4710 4.4716 4.9219 4.9238 5.1671 5.1675 11.6379 11.6453 11.9465 11.9476 12.6494 12.6498 13.0522 13.0526 13.5451 13.5464 k =-0.3056 0.1887 0.0000 ( 4242 PWs) bands (ev): -13.0595 -13.0595 -12.6210 -12.6205 -11.3586 -11.3583 -9.2018 -9.2010 -9.1022 -9.0992 -8.9523 -8.9475 -3.5109 -3.5100 -2.2656 -2.2609 -2.1605 -2.1557 -0.8532 -0.8470 -0.4045 -0.4025 0.0008 0.0033 0.4850 0.4861 0.6184 0.6188 2.1972 2.1981 2.4947 2.4950 2.6480 2.6493 2.8256 2.8271 3.3735 3.3764 3.8192 3.8193 3.8546 3.8554 4.4793 4.4799 4.9242 4.9262 5.1508 5.1511 11.6586 11.6659 12.0236 12.0248 12.6343 12.6349 13.0669 13.0673 13.5403 13.5414 k =-0.3194 0.1973 0.0000 ( 4240 PWs) bands (ev): -13.0372 -13.0372 -12.6215 -12.6210 -11.3969 -11.3967 -9.2000 -9.1992 -9.0997 -9.0966 -8.9541 -8.9493 -3.5173 -3.5164 -2.1973 -2.1924 -2.1218 -2.1169 -0.8512 -0.8448 -0.4216 -0.4193 -0.0396 -0.0373 0.4607 0.4620 0.6415 0.6418 2.2332 2.2342 2.4428 2.4428 2.6516 2.6532 2.8113 2.8129 3.3428 3.3457 3.8046 3.8046 3.8565 3.8572 4.4874 4.4881 4.9255 4.9275 5.1353 5.1356 11.6827 11.6899 12.0999 12.1012 12.6162 12.6171 13.0816 13.0819 13.5359 13.5369 k =-0.3333 0.2058 0.0000 ( 4240 PWs) bands (ev): -13.0150 -13.0149 -12.6220 -12.6216 -11.4344 -11.4342 -9.1983 -9.1976 -9.0967 -9.0937 -8.9563 -8.9516 -3.5229 -3.5220 -2.1299 -2.1249 -2.0844 -2.0795 -0.8472 -0.8405 -0.4374 -0.4348 -0.0795 -0.0775 0.4254 0.4269 0.6727 0.6729 2.2689 2.2701 2.3855 2.3856 2.6632 2.6649 2.7974 2.7991 3.3115 3.3145 3.7894 3.7894 3.8588 3.8594 4.4951 4.4959 4.9260 4.9280 5.1206 5.1209 11.7100 11.7171 12.1751 12.1764 12.5954 12.5965 13.0960 13.0962 13.5319 13.5328 k =-0.3472 0.2144 0.0000 ( 4232 PWs) bands (ev): -12.9929 -12.9929 -12.6225 -12.6221 -11.4708 -11.4706 -9.1968 -9.1962 -9.0935 -9.0904 -8.9589 -8.9543 -3.5276 -3.5268 -2.0641 -2.0590 -2.0485 -2.0437 -0.8406 -0.8337 -0.4517 -0.4488 -0.1187 -0.1170 0.3842 0.3859 0.7066 0.7068 2.3042 2.3056 2.3284 2.3285 2.6776 2.6794 2.7838 2.7857 3.2800 3.2829 3.7739 3.7740 3.8612 3.8618 4.5025 4.5033 4.9258 4.9277 5.1069 5.1072 11.7402 11.7472 12.2486 12.2500 12.5720 12.5733 13.1099 13.1100 13.5284 13.5291 k =-0.3611 0.2230 0.0000 ( 4232 PWs) bands (ev): -12.9712 -12.9712 -12.6230 -12.6226 -11.5058 -11.5056 -9.1955 -9.1949 -9.0899 -9.0868 -8.9618 -8.9573 -3.5315 -3.5308 -2.0143 -2.0097 -2.0006 -1.9955 -0.8312 -0.8242 -0.4643 -0.4611 -0.1570 -0.1557 0.3393 0.3410 0.7410 0.7411 2.2736 2.2737 2.3389 2.3403 2.6931 2.6949 2.7706 2.7726 3.2484 3.2513 3.7585 3.7587 3.8637 3.8643 4.5094 4.5102 4.9250 4.9269 5.0943 5.0946 11.7732 11.7800 12.3199 12.3213 12.5462 12.5477 13.1232 13.1232 13.5254 13.5259 k =-0.3750 0.2316 0.0000 ( 4234 PWs) bands (ev): -12.9503 -12.9503 -12.6234 -12.6231 -11.5391 -11.5389 -9.1943 -9.1938 -9.0862 -9.0831 -8.9650 -8.9606 -3.5348 -3.5341 -1.9822 -1.9777 -1.9403 -1.9352 -0.8188 -0.8117 -0.4749 -0.4715 -0.1942 -0.1934 0.2916 0.2935 0.7746 0.7748 2.2223 2.2225 2.3726 2.3742 2.7088 2.7106 2.7577 2.7599 3.2173 3.2201 3.7434 3.7436 3.8662 3.8666 4.5157 4.5165 4.9238 4.9256 5.0827 5.0830 11.8084 11.8150 12.3884 12.3898 12.5181 12.5199 13.1356 13.1356 13.5228 13.5232 k =-0.3889 0.2401 0.0000 ( 4238 PWs) bands (ev): -12.9303 -12.9302 -12.6238 -12.6235 -11.5703 -11.5701 -9.1933 -9.1928 -9.0822 -9.0792 -8.9684 -8.9642 -3.5375 -3.5369 -1.9523 -1.9481 -1.8839 -1.8789 -0.8031 -0.7960 -0.4834 -0.4798 -0.2302 -0.2297 0.2420 0.2440 0.8069 0.8070 2.1752 2.1754 2.4051 2.4069 2.7244 2.7261 2.7451 2.7474 3.1868 3.1896 3.7289 3.7291 3.8685 3.8689 4.5214 4.5222 4.9224 4.9240 5.0723 5.0725 11.8457 11.8522 12.4534 12.4548 12.4878 12.4900 13.1471 13.1472 13.5206 13.5209 k =-0.4028 0.2487 0.0000 ( 4238 PWs) bands (ev): -12.9115 -12.9115 -12.6242 -12.6239 -11.5991 -11.5989 -9.1924 -9.1920 -9.0781 -9.0752 -8.9719 -8.9679 -3.5397 -3.5391 -1.9250 -1.9211 -1.8323 -1.8275 -0.7842 -0.7772 -0.4895 -0.4857 -0.2646 -0.2645 0.1914 0.1934 0.8370 0.8371 2.1327 2.1329 2.4362 2.4381 2.7322 2.7347 2.7399 2.7418 3.1575 3.1602 3.7151 3.7154 3.8707 3.8710 4.5265 4.5273 4.9207 4.9222 5.0630 5.0633 11.8848 11.8910 12.4555 12.4578 12.5145 12.5157 13.1576 13.1578 13.5190 13.5192 k =-0.4167 0.2573 0.0000 ( 4226 PWs) bands (ev): -12.8943 -12.8942 -12.6245 -12.6242 -11.6251 -11.6249 -9.1917 -9.1913 -9.0740 -9.0712 -8.9755 -8.9717 -3.5414 -3.5409 -1.9006 -1.8970 -1.7861 -1.7817 -0.7622 -0.7555 -0.4929 -0.4890 -0.2976 -0.2971 0.1407 0.1428 0.8645 0.8646 2.0953 2.0954 2.4656 2.4677 2.7201 2.7227 2.7544 2.7562 3.1299 3.1324 3.7025 3.7027 3.8727 3.8730 4.5310 4.5317 4.9191 4.9204 5.0550 5.0552 11.9253 11.9313 12.4213 12.4239 12.5704 12.5716 13.1670 13.1672 13.5179 13.5180 k =-0.4306 0.2659 0.0000 ( 4230 PWs) bands (ev): -12.8789 -12.8789 -12.6247 -12.6245 -11.6479 -11.6478 -9.1910 -9.1907 -9.0701 -9.0674 -8.9789 -8.9755 -3.5427 -3.5423 -1.8792 -1.8761 -1.7462 -1.7423 -0.7378 -0.7316 -0.4936 -0.4897 -0.3286 -0.3277 0.0913 0.0934 0.8889 0.8890 2.0631 2.0632 2.4931 2.4952 2.7079 2.7105 2.7682 2.7700 3.1044 3.1067 3.6911 3.6913 3.8744 3.8747 4.5348 4.5354 4.9175 4.9187 5.0481 5.0483 11.9669 11.9726 12.3854 12.3882 12.6203 12.6215 13.1752 13.1754 13.5173 13.5173 k =-0.4444 0.2745 0.0000 ( 4238 PWs) bands (ev): -12.8658 -12.8658 -12.6250 -12.6248 -11.6672 -11.6671 -9.1905 -9.1903 -9.0663 -9.0640 -8.9821 -8.9791 -3.5437 -3.5433 -1.8612 -1.8586 -1.7129 -1.7096 -0.7122 -0.7067 -0.4914 -0.4875 -0.3574 -0.3560 0.0450 0.0470 0.9097 0.9097 2.0364 2.0365 2.5182 2.5204 2.6959 2.6984 2.7810 2.7825 3.0818 3.0838 3.6814 3.6816 3.8759 3.8761 4.5379 4.5384 4.9161 4.9171 5.0425 5.0427 12.0093 12.0147 12.3479 12.3510 12.6634 12.6644 13.1821 13.1822 13.5170 13.5171 k =-0.4583 0.2830 0.0000 ( 4242 PWs) bands (ev): -12.8552 -12.8552 -12.6251 -12.6250 -11.6826 -11.6825 -9.1901 -9.1899 -9.0630 -9.0611 -8.9847 -8.9823 -3.5444 -3.5441 -1.8469 -1.8449 -1.6867 -1.6841 -0.6874 -0.6829 -0.4863 -0.4825 -0.3835 -0.3818 0.0040 0.0058 0.9264 0.9264 2.0155 2.0156 2.5405 2.5426 2.6842 2.6865 2.7921 2.7934 3.0627 3.0644 3.6736 3.6737 3.8771 3.8772 4.5403 4.5407 4.9150 4.9157 5.0382 5.0383 12.0520 12.0572 12.3090 12.3124 12.6984 12.6992 13.1875 13.1876 13.5171 13.5172 k =-0.4722 0.2916 0.0000 ( 4250 PWs) bands (ev): -12.8474 -12.8474 -12.6252 -12.6251 -11.6938 -11.6938 -9.1898 -9.1897 -9.0602 -9.0589 -8.9867 -8.9850 -3.5448 -3.5447 -1.8364 -1.8350 -1.6677 -1.6660 -0.6659 -0.6627 -0.4784 -0.4749 -0.4066 -0.4045 -0.0287 -0.0273 0.9386 0.9386 2.0004 2.0004 2.5592 2.5610 2.6735 2.6755 2.8010 2.8020 3.0481 3.0493 3.6678 3.6679 3.8779 3.8780 4.5421 4.5423 4.9142 4.9147 5.0350 5.0351 12.0947 12.0995 12.2693 12.2729 12.7244 12.7249 13.1915 13.1916 13.5175 13.5175 k =-0.4861 0.3002 0.0000 ( 4242 PWs) bands (ev): -12.8427 -12.8427 -12.6253 -12.6252 -11.7007 -11.7007 -9.1896 -9.1896 -9.0583 -9.0576 -8.9878 -8.9869 -3.5451 -3.5450 -1.8298 -1.8291 -1.6562 -1.6553 -0.6509 -0.6491 -0.4684 -0.4656 -0.4254 -0.4233 -0.0499 -0.0491 0.9460 0.9461 1.9913 1.9913 2.5726 2.5738 2.6655 2.6668 2.8070 2.8075 3.0390 3.0396 3.6642 3.6643 3.8785 3.8785 4.5431 4.5433 4.9138 4.9140 5.0332 5.0332 12.1360 12.1403 12.2300 12.2336 12.7405 12.7407 13.1939 13.1939 13.5178 13.5178 k =-0.5000 0.3088 0.0000 ( 4242 PWs) bands (ev): -12.8411 -12.8411 -12.6253 -12.6253 -11.7030 -11.7030 -9.1895 -9.1895 -9.0574 -9.0574 -8.9879 -8.9879 -3.5451 -3.5451 -1.8274 -1.8274 -1.6520 -1.6520 -0.6449 -0.6449 -0.4608 -0.4608 -0.4336 -0.4336 -0.0571 -0.0571 0.9485 0.9485 1.9883 1.9883 2.5781 2.5781 2.6628 2.6628 2.8093 2.8093 3.0361 3.0361 3.6631 3.6631 3.8787 3.8787 4.5436 4.5436 4.9137 4.9137 5.0326 5.0326 12.1656 12.1656 12.2049 12.2049 12.7460 12.7460 13.1947 13.1947 13.5179 13.5179 k =-0.5000 0.3088 0.0000 ( 4242 PWs) bands (ev): -12.8411 -12.8411 -12.6253 -12.6253 -11.7030 -11.7030 -9.1895 -9.1895 -9.0574 -9.0574 -8.9879 -8.9879 -3.5451 -3.5451 -1.8274 -1.8274 -1.6520 -1.6520 -0.6449 -0.6449 -0.4608 -0.4608 -0.4336 -0.4336 -0.0571 -0.0571 0.9485 0.9485 1.9883 1.9883 2.5781 2.5781 2.6628 2.6628 2.8093 2.8093 3.0361 3.0361 3.6631 3.6631 3.8787 3.8787 4.5436 4.5436 4.9137 4.9137 5.0326 5.0326 12.1656 12.1656 12.2049 12.2049 12.7460 12.7460 13.1947 13.1947 13.5179 13.5179 k =-0.4914 0.3227-0.0000 ( 4250 PWs) bands (ev): -12.8413 -12.8413 -12.6254 -12.6253 -11.7020 -11.7020 -9.1987 -9.1966 -9.0570 -9.0567 -8.9825 -8.9799 -3.5446 -3.5445 -1.8326 -1.8321 -1.6429 -1.6427 -0.6463 -0.6463 -0.4751 -0.4711 -0.4355 -0.4354 -0.0474 -0.0433 0.9492 0.9495 1.9887 1.9888 2.5750 2.5770 2.6625 2.6638 2.8075 2.8098 3.0354 3.0369 3.6637 3.6643 3.8782 3.8786 4.5445 4.5450 4.9094 4.9105 5.0321 5.0333 12.1666 12.1667 12.2050 12.2052 12.7506 12.7508 13.1836 13.1890 13.5271 13.5323 k =-0.4828 0.3366-0.0000 ( 4252 PWs) bands (ev): -12.8420 -12.8420 -12.6256 -12.6255 -11.6991 -11.6991 -9.2211 -9.2175 -9.0555 -9.0549 -8.9660 -8.9616 -3.5429 -3.5427 -1.8450 -1.8439 -1.6182 -1.6176 -0.6505 -0.6504 -0.5098 -0.5031 -0.4410 -0.4406 -0.0172 -0.0101 0.9515 0.9522 1.9902 1.9905 2.5676 2.5716 2.6628 2.6653 2.8046 2.8090 3.0350 3.0380 3.6661 3.6673 3.8771 3.8780 4.5479 4.5490 4.8980 4.9000 5.0318 5.0340 12.1698 12.1699 12.2055 12.2060 12.7644 12.7647 13.1598 13.1692 13.5575 13.5663 k =-0.4742 0.3505-0.0000 ( 4250 PWs) bands (ev): -12.8432 -12.8431 -12.6259 -12.6259 -11.6943 -11.6943 -9.2520 -9.2477 -9.0530 -9.0520 -8.9432 -8.9375 -3.5400 -3.5397 -1.8598 -1.8583 -1.5824 -1.5815 -0.6576 -0.6575 -0.5581 -0.5498 -0.4500 -0.4492 0.0265 0.0355 0.9554 0.9563 1.9928 1.9932 2.5562 2.5619 2.6638 2.6675 2.8005 2.8069 3.0349 3.0393 3.6702 3.6721 3.8755 3.8769 4.5537 4.5553 4.8805 4.8831 5.0309 5.0337 12.1750 12.1752 12.2068 12.2074 12.7865 12.7867 13.1298 13.1418 13.6028 13.6137 k =-0.4656 0.3644-0.0000 ( 4254 PWs) bands (ev): -12.8448 -12.8448 -12.6263 -12.6263 -11.6875 -11.6875 -9.2880 -9.2834 -9.0493 -9.0480 -8.9175 -8.9111 -3.5360 -3.5355 -1.8740 -1.8721 -1.5390 -1.5377 -0.6675 -0.6673 -0.6144 -0.6053 -0.4621 -0.4611 0.0780 0.0881 0.9605 0.9617 1.9964 1.9969 2.5406 2.5479 2.6653 2.6702 2.7952 2.8035 3.0351 3.0409 3.6761 3.6786 3.8734 3.8752 4.5619 4.5640 4.8578 4.8609 5.0287 5.0319 12.1823 12.1825 12.2094 12.2100 12.8152 12.8153 13.0992 13.1129 13.6578 13.6700 k =-0.4570 0.3783-0.0000 ( 4254 PWs) bands (ev): -12.8469 -12.8469 -12.6269 -12.6269 -11.6789 -11.6788 -9.3273 -9.3226 -9.0446 -9.0430 -8.8912 -8.8842 -3.5308 -3.5303 -1.8857 -1.8834 -1.4898 -1.4881 -0.6815 -0.6802 -0.6744 -0.6658 -0.4771 -0.4758 0.1335 0.1444 0.9667 0.9682 2.0011 2.0018 2.5211 2.5297 2.6674 2.6735 2.7888 2.7987 3.0358 3.0428 3.6836 3.6868 3.8708 3.8731 4.5723 4.5750 4.8308 4.8341 5.0245 5.0280 12.1916 12.1920 12.2135 12.2141 12.8468 12.8477 13.0730 13.0882 13.7193 13.7321 k =-0.4484 0.3922-0.0000 ( 4246 PWs) bands (ev): -12.8495 -12.8495 -12.6275 -12.6275 -11.6683 -11.6682 -9.3687 -9.3640 -9.0388 -9.0369 -8.8652 -8.8579 -3.5246 -3.5239 -1.8940 -1.8914 -1.4359 -1.4338 -0.7397 -0.7297 -0.6958 -0.6957 -0.4947 -0.4931 0.1911 0.2024 0.9736 0.9754 2.0071 2.0078 2.4976 2.5073 2.6701 2.6771 2.7813 2.7925 3.0371 3.0453 3.6927 3.6967 3.8677 3.8706 4.5850 4.5882 4.8002 4.8035 5.0181 5.0218 12.2029 12.2034 12.2196 12.2201 12.8754 12.8773 13.0587 13.0749 13.7853 13.7976 k =-0.4399 0.4062-0.0000 ( 4252 PWs) bands (ev): -12.8527 -12.8526 -12.6282 -12.6282 -11.6557 -11.6556 -9.4116 -9.4071 -9.0320 -9.0298 -8.8403 -8.8327 -3.5173 -3.5166 -1.8987 -1.8957 -1.3780 -1.3755 -0.8049 -0.7948 -0.7145 -0.7143 -0.5146 -0.5128 0.2494 0.2611 0.9810 0.9830 2.0142 2.0150 2.4702 2.4808 2.6732 2.6811 2.7727 2.7850 3.0391 3.0483 3.7033 3.7081 3.8642 3.8677 4.5998 4.6035 4.7663 4.7697 5.0095 5.0132 12.2158 12.2168 12.2277 12.2282 12.8917 12.8932 13.0669 13.0827 13.7691 13.7712 k =-0.4313 0.4201-0.0000 ( 4248 PWs) bands (ev): -12.8564 -12.8563 -12.6290 -12.6289 -11.6413 -11.6412 -9.4556 -9.4512 -9.0242 -9.0217 -8.8169 -8.8090 -3.5090 -3.5082 -1.8993 -1.8960 -1.3169 -1.3138 -0.8704 -0.8605 -0.7361 -0.7357 -0.5365 -0.5344 0.3078 0.3197 0.9885 0.9907 2.0225 2.0235 2.4390 2.4503 2.6768 2.6854 2.7629 2.7761 3.0420 3.0520 3.7153 3.7210 3.8603 3.8645 4.6166 4.6208 4.7298 4.7332 4.9985 5.0023 12.2301 12.2320 12.2380 12.2389 12.8912 12.8913 13.1024 13.1162 13.7299 13.7322 k =-0.4227 0.4340-0.0000 ( 4244 PWs) bands (ev): -12.8606 -12.8605 -12.6297 -12.6297 -11.6250 -11.6248 -9.5003 -9.4960 -9.0154 -9.0126 -8.7952 -8.7871 -3.4998 -3.4988 -1.8959 -1.8922 -1.2536 -1.2499 -0.9350 -0.9253 -0.7604 -0.7599 -0.5601 -0.5578 0.3656 0.3777 0.9956 0.9980 2.0322 2.0333 2.4042 2.4159 2.6807 2.6900 2.7520 2.7660 3.0457 3.0565 3.7284 3.7353 3.8561 3.8611 4.6353 4.6399 4.6911 4.6945 4.9855 4.9893 12.2448 12.2490 12.2503 12.2526 12.8791 12.8803 13.1571 13.1690 13.6863 13.6888 k =-0.4141 0.4479-0.0000 ( 4248 PWs) bands (ev): -12.8654 -12.8653 -12.6305 -12.6305 -11.6068 -11.6066 -9.5455 -9.5414 -9.0057 -9.0025 -8.7754 -8.7670 -3.4897 -3.4887 -1.8884 -1.8845 -1.1913 -1.1864 -0.9953 -0.9864 -0.7874 -0.7867 -0.5853 -0.5827 0.4225 0.4347 1.0020 1.0047 2.0432 2.0445 2.3657 2.3778 2.6850 2.6947 2.7400 2.7545 3.0505 3.0618 3.7426 3.7508 3.8516 3.8578 4.6506 4.6521 4.6575 4.6609 4.9704 4.9742 12.2594 12.2642 12.2677 12.2698 12.8648 12.8664 13.2231 13.2337 13.6398 13.6424 k =-0.4055 0.4618-0.0000 ( 4252 PWs) bands (ev): -12.8708 -12.8707 -12.6313 -12.6312 -11.5867 -11.5865 -9.5910 -9.5870 -8.9950 -8.9916 -8.7575 -8.7490 -3.4788 -3.4777 -1.8772 -1.8731 -1.1465 -1.1384 -1.0345 -1.0285 -0.8167 -0.8159 -0.6118 -0.6091 0.4784 0.4907 1.0074 1.0102 2.0557 2.0571 2.3239 2.3361 2.6896 2.6996 2.7269 2.7419 3.0565 3.0680 3.7575 3.7675 3.8471 3.8547 4.6087 4.6117 4.6781 4.6834 4.9536 4.9573 12.2740 12.2791 12.2879 12.2893 12.8525 12.8538 13.2964 13.3061 13.5914 13.5940 k =-0.3969 0.4757-0.0000 ( 4252 PWs) bands (ev): -12.8767 -12.8766 -12.6320 -12.6320 -11.5647 -11.5645 -9.6366 -9.6328 -8.9835 -8.9797 -8.7416 -8.7330 -3.4672 -3.4660 -1.8625 -1.8581 -1.1661 -1.1552 -1.0056 -1.0020 -0.8481 -0.8471 -0.6397 -0.6368 0.5330 0.5454 1.0114 1.0144 2.0697 2.0711 2.2788 2.2911 2.6944 2.7045 2.7127 2.7281 3.0635 3.0752 3.7725 3.7850 3.8426 3.8526 4.5658 4.5687 4.7016 4.7073 4.9353 4.9389 12.2885 12.2945 12.3095 12.3106 12.8443 12.8449 13.3749 13.3841 13.5417 13.5444 k =-0.3883 0.4897-0.0000 ( 4254 PWs) bands (ev): -12.8833 -12.8832 -12.6327 -12.6326 -11.5409 -11.5407 -9.6821 -9.6785 -8.9711 -8.9671 -8.7279 -8.7191 -3.4550 -3.4537 -1.8448 -1.8402 -1.2198 -1.2088 -0.9386 -0.9346 -0.8811 -0.8800 -0.6689 -0.6659 0.5863 0.5986 1.0137 1.0168 2.0852 2.0867 2.2306 2.2429 2.6974 2.6995 2.7097 2.7132 3.0718 3.0834 3.7864 3.8024 3.8393 3.8524 4.5222 4.5249 4.7266 4.7326 4.9157 4.9192 12.3024 12.3094 12.3323 12.3332 12.8414 12.8418 13.4573 13.4661 13.4912 13.4940 k =-0.3797 0.5036-0.0000 ( 4254 PWs) bands (ev): -12.8905 -12.8904 -12.6332 -12.6332 -11.5153 -11.5150 -9.7275 -9.7240 -8.9580 -8.9536 -8.7161 -8.7072 -3.4423 -3.4410 -1.8249 -1.8203 -1.2776 -1.2667 -0.9164 -0.9144 -0.8618 -0.8578 -0.6995 -0.6963 0.6380 0.6504 1.0140 1.0172 2.1023 2.1039 2.1795 2.1918 2.6812 2.6966 2.7055 2.7149 3.0811 3.0926 3.7972 3.8155 3.8412 3.8564 4.4783 4.4808 4.7527 4.7591 4.8951 4.8984 12.3148 12.3229 12.3562 12.3570 12.8445 12.8460 13.4398 13.4425 13.5433 13.5517 k =-0.3711 0.5175-0.0000 ( 4261 PWs) bands (ev): -12.8983 -12.8982 -12.6338 -12.6337 -11.4878 -11.4875 -9.7725 -9.7692 -8.9441 -8.9395 -8.7065 -8.6975 -3.4293 -3.4278 -1.8044 -1.7996 -1.3333 -1.3225 -0.9518 -0.9497 -0.7819 -0.7773 -0.7315 -0.7282 0.6883 0.7007 1.0120 1.0153 2.1205 2.1226 2.1259 2.1384 2.6640 2.6797 2.7111 2.7202 3.0916 3.1026 3.8028 3.8175 3.8552 3.8665 4.4344 4.4367 4.7798 4.7865 4.8737 4.8769 12.3252 12.3344 12.3809 12.3816 12.8550 12.8577 13.3879 13.3907 13.6316 13.6398 k =-0.3625 0.5314-0.0000 ( 4267 PWs) bands (ev): -12.9067 -12.9066 -12.6342 -12.6341 -11.4585 -11.4582 -9.8171 -9.8140 -8.9296 -8.9246 -8.6988 -8.6897 -3.4160 -3.4145 -1.7855 -1.7807 -1.3836 -1.3728 -0.9879 -0.9855 -0.7650 -0.7616 -0.6991 -0.6941 0.7371 0.7495 1.0075 1.0108 2.0697 2.0814 2.1416 2.1432 2.6458 2.6616 2.7172 2.7258 3.1030 3.1135 3.8036 3.8140 3.8757 3.8823 4.3907 4.3929 4.8079 4.8148 4.8517 4.8548 12.3330 12.3431 12.4061 12.4068 12.8735 12.8773 13.3355 13.3383 13.7219 13.7300 k =-0.3539 0.5453-0.0000 ( 4263 PWs) bands (ev): -12.9157 -12.9156 -12.6345 -12.6344 -11.4275 -11.4271 -9.8612 -9.8583 -8.9144 -8.9092 -8.6931 -8.6840 -3.4027 -3.4011 -1.7723 -1.7676 -1.4241 -1.4131 -1.0242 -1.0215 -0.8001 -0.7965 -0.6143 -0.6090 0.7845 0.7968 1.0003 1.0035 2.0116 2.0232 2.1636 2.1653 2.6266 2.6425 2.7237 2.7317 3.1154 3.1252 3.8015 3.8090 3.8986 3.9021 4.3476 4.3496 4.8294 4.8321 4.8366 4.8439 12.3381 12.3489 12.4315 12.4323 12.9001 12.9048 13.2827 13.2854 13.8137 13.8216 k =-0.3453 0.5592-0.0000 ( 4265 PWs) bands (ev): -12.9253 -12.9252 -12.6346 -12.6346 -11.3947 -11.3943 -9.9047 -9.9019 -8.8987 -8.8932 -8.6892 -8.6801 -3.3894 -3.3878 -1.7705 -1.7658 -1.4489 -1.4381 -1.0603 -1.0573 -0.8367 -0.8330 -0.5279 -0.5221 0.8305 0.8428 0.9901 0.9933 1.9518 1.9632 2.1874 2.1891 2.6065 2.6223 2.7307 2.7379 3.1285 3.1376 3.7979 3.8037 3.9228 3.9242 4.3052 4.3070 4.8070 4.8097 4.8659 4.8733 12.3406 12.3520 12.4569 12.4576 12.9346 12.9400 13.2295 13.2321 13.9063 13.9143 k =-0.3453 0.5592-0.0000 ( 4265 PWs) bands (ev): -12.9253 -12.9252 -12.6346 -12.6346 -11.3947 -11.3943 -9.9047 -9.9019 -8.8987 -8.8932 -8.6892 -8.6801 -3.3894 -3.3878 -1.7705 -1.7658 -1.4489 -1.4381 -1.0603 -1.0573 -0.8367 -0.8330 -0.5279 -0.5221 0.8305 0.8428 0.9901 0.9933 1.9518 1.9632 2.1874 2.1891 2.6065 2.6223 2.7307 2.7379 3.1285 3.1376 3.7979 3.8037 3.9228 3.9242 4.3052 4.3070 4.8070 4.8097 4.8659 4.8733 12.3406 12.3520 12.4569 12.4576 12.9346 12.9400 13.2295 13.2321 13.9063 13.9143 k =-0.3453 0.5592 0.0163 ( 4264 PWs) bands (ev): -12.9251 -12.9250 -12.6347 -12.6347 -11.3937 -11.3933 -9.9042 -9.9014 -8.9011 -8.8956 -8.6901 -8.6810 -3.3867 -3.3851 -1.7821 -1.7772 -1.4345 -1.4239 -1.0594 -1.0564 -0.8370 -0.8332 -0.5320 -0.5262 0.8329 0.8451 0.9906 0.9938 1.9498 1.9611 2.1874 2.1891 2.6058 2.6216 2.7295 2.7366 3.1307 3.1397 3.7974 3.8032 3.9237 3.9251 4.3050 4.3068 4.8063 4.8091 4.8657 4.8731 12.3368 12.3480 12.4553 12.4561 12.9374 12.9426 13.2239 13.2265 13.9115 13.9194 k =-0.3453 0.5592 0.0326 ( 4264 PWs) bands (ev): -12.9244 -12.9243 -12.6351 -12.6350 -11.3908 -11.3904 -9.9027 -9.8999 -8.9081 -8.9027 -8.6929 -8.6838 -3.3785 -3.3769 -1.8121 -1.8069 -1.3964 -1.3860 -1.0565 -1.0536 -0.8377 -0.8339 -0.5440 -0.5384 0.8399 0.8518 0.9921 0.9954 1.9441 1.9551 2.1874 2.1892 2.6038 2.6192 2.7261 2.7329 3.1372 3.1460 3.7962 3.8019 3.9263 3.9277 4.3045 4.3063 4.8044 4.8071 4.8652 4.8726 12.3257 12.3367 12.4506 12.4513 12.9454 12.9503 13.2072 13.2097 13.9242 13.9263 k =-0.3453 0.5592 0.0489 ( 4266 PWs) bands (ev): -12.9233 -12.9232 -12.6356 -12.6356 -11.3859 -11.3855 -9.9002 -9.8975 -8.9198 -8.9144 -8.6975 -8.6884 -3.3649 -3.3634 -1.8519 -1.8465 -1.3429 -1.3327 -1.0520 -1.0492 -0.8388 -0.8349 -0.5636 -0.5583 0.8511 0.8627 0.9947 0.9980 1.9346 1.9452 2.1874 2.1892 2.6004 2.6153 2.7207 2.7271 3.1476 3.1560 3.7941 3.7998 3.9305 3.9319 4.3037 4.3055 4.8012 4.8039 4.8644 4.8717 12.3084 12.3191 12.4428 12.4436 12.9580 12.9622 13.1801 13.1826 13.9138 13.9154 k =-0.3453 0.5592 0.0652 ( 4267 PWs) bands (ev): -12.9218 -12.9217 -12.6363 -12.6363 -11.3791 -11.3787 -9.8968 -9.8940 -8.9360 -8.9307 -8.7038 -8.6949 -3.3461 -3.3446 -1.8957 -1.8903 -1.2801 -1.2700 -1.0461 -1.0435 -0.8399 -0.8358 -0.5902 -0.5853 0.8660 0.8771 0.9983 1.0016 1.9214 1.9314 2.1873 2.1890 2.5954 2.6096 2.7141 2.7199 3.1615 3.1694 3.7915 3.7970 3.9362 3.9376 4.3026 4.3043 4.7967 4.7994 4.8631 4.8705 12.2864 12.2968 12.4322 12.4329 12.9739 12.9774 13.1438 13.1461 13.9025 13.9040 k =-0.3453 0.5592 0.0815 ( 4280 PWs) bands (ev): -12.9198 -12.9197 -12.6373 -12.6373 -11.3704 -11.3700 -9.8923 -9.8896 -8.9566 -8.9513 -8.7120 -8.7031 -3.3222 -3.3208 -1.9403 -1.9349 -1.2111 -1.2012 -1.0393 -1.0369 -0.8404 -0.8362 -0.6231 -0.6186 0.8837 0.8943 1.0029 1.0063 1.9048 1.9141 2.1869 2.1886 2.5888 2.6022 2.7068 2.7119 3.1783 3.1857 3.7882 3.7937 3.9431 3.9446 4.3011 4.3028 4.7910 4.7936 4.8615 4.8687 12.2615 12.2716 12.4188 12.4196 12.9922 12.9950 13.0997 13.1018 13.8919 13.8932 k =-0.3453 0.5592 0.0978 ( 4276 PWs) bands (ev): -12.9174 -12.9173 -12.6384 -12.6384 -11.3597 -11.3594 -9.8869 -9.8842 -8.9815 -8.9763 -8.7219 -8.7132 -3.2934 -3.2922 -1.9841 -1.9787 -1.1379 -1.1279 -1.0324 -1.0303 -0.8396 -0.8352 -0.6615 -0.6574 0.9036 0.9135 1.0085 1.0120 1.8849 1.8934 2.1862 2.1878 2.5804 2.5927 2.6994 2.7039 3.1974 3.2043 3.7846 3.7900 3.9512 3.9527 4.2994 4.3010 4.7840 4.7865 4.8594 4.8665 12.2351 12.2450 12.4029 12.4036 13.0121 13.0140 13.0498 13.0517 13.8822 13.8833 k =-0.3453 0.5592 0.1141 ( 4277 PWs) bands (ev): -12.9147 -12.9145 -12.6398 -12.6398 -11.3471 -11.3468 -9.8804 -9.8778 -9.0103 -9.0052 -8.7335 -8.7249 -3.2600 -3.2590 -2.0260 -2.0209 -1.0615 -1.0515 -1.0263 -1.0246 -0.8365 -0.8318 -0.7045 -0.7009 0.9248 0.9341 1.0152 1.0187 1.8619 1.8696 2.1849 2.1864 2.5699 2.5812 2.6926 2.6964 3.2184 3.2248 3.7807 3.7860 3.9603 3.9619 4.2974 4.2990 4.7757 4.7782 4.8567 4.8638 12.2087 12.2184 12.3844 12.3852 12.9955 12.9974 13.0335 13.0345 13.8730 13.8740 k =-0.3453 0.5592 0.1304 ( 4280 PWs) bands (ev): -12.9115 -12.9113 -12.6414 -12.6414 -11.3326 -11.3323 -9.8730 -9.8704 -9.0430 -9.0380 -8.7467 -8.7383 -3.2223 -3.2214 -2.0657 -2.0607 -1.0227 -1.0211 -0.9826 -0.9728 -0.8299 -0.8249 -0.7510 -0.7479 0.9466 0.9552 1.0229 1.0265 1.8361 1.8428 2.1830 2.1844 2.5574 2.5674 2.6868 2.6899 3.2408 3.2468 3.7764 3.7817 3.9703 3.9720 4.2951 4.2967 4.7662 4.7687 4.8534 4.8604 12.1833 12.1929 12.3636 12.3644 12.9398 12.9414 13.0551 13.0554 13.8637 13.8645 k =-0.3453 0.5592 0.1466 ( 4278 PWs) bands (ev): -12.9079 -12.9077 -12.6432 -12.6432 -11.3162 -11.3159 -9.8646 -9.8621 -9.0792 -9.0743 -8.7615 -8.7533 -3.1807 -3.1800 -2.1028 -2.0979 -1.0221 -1.0208 -0.9039 -0.8941 -0.8187 -0.8134 -0.7987 -0.7960 0.9683 0.9762 1.0316 1.0352 1.8076 1.8134 2.1803 2.1817 2.5425 2.5513 2.6823 2.6848 3.2644 3.2700 3.7720 3.7772 3.9811 3.9829 4.2927 4.2942 4.7555 4.7579 4.8494 4.8564 12.1600 12.1696 12.3403 12.3411 12.8841 12.8854 13.0768 13.0773 13.8536 13.8543 k =-0.3453 0.5592 0.1629 ( 4274 PWs) bands (ev): -12.9039 -12.9038 -12.6452 -12.6452 -11.2978 -11.2976 -9.8552 -9.8527 -9.1187 -9.1140 -8.7779 -8.7699 -3.1354 -3.1348 -2.1369 -2.1323 -1.0255 -1.0245 -0.8672 -0.8635 -0.8080 -0.7992 -0.7978 -0.7956 0.9894 0.9966 1.0413 1.0451 1.7767 1.7815 2.1769 2.1782 2.5251 2.5326 2.6794 2.6813 3.2888 3.2941 3.7675 3.7726 3.9925 3.9944 4.2901 4.2916 4.7437 4.7460 4.8447 4.8515 12.1395 12.1491 12.3144 12.3152 12.8303 12.8314 13.0987 13.0998 13.8419 13.8425 k =-0.3453 0.5592 0.1792 ( 4278 PWs) bands (ev): -12.8996 -12.8994 -12.6475 -12.6475 -11.2776 -11.2774 -9.8448 -9.8424 -9.1613 -9.1567 -8.7958 -8.7879 -3.0867 -3.0864 -2.1681 -2.1637 -1.0332 -1.0322 -0.9158 -0.9136 -0.7795 -0.7738 -0.7274 -0.7180 1.0094 1.0160 1.0520 1.0559 1.7436 1.7474 2.1727 2.1739 2.5052 2.5114 2.6781 2.6794 3.3138 3.3187 3.7628 3.7679 4.0045 4.0066 4.2874 4.2889 4.7307 4.7329 4.8391 4.8458 12.1224 12.1320 12.2858 12.2866 12.7802 12.7811 13.1209 13.1226 13.8281 13.8285 k =-0.3453 0.5592 0.1955 ( 4278 PWs) bands (ev): -12.8949 -12.8948 -12.6500 -12.6500 -11.2556 -11.2554 -9.8334 -9.8311 -9.2067 -9.2023 -8.8150 -8.8074 -3.0352 -3.0350 -2.1962 -2.1920 -1.0447 -1.0439 -0.9717 -0.9701 -0.7515 -0.7461 -0.6428 -0.6331 1.0280 1.0338 1.0637 1.0677 1.7085 1.7113 2.1679 2.1691 2.4827 2.4875 2.6783 2.6791 3.3392 3.3438 3.7581 3.7632 4.0171 4.0194 4.2847 4.2861 4.7167 4.7188 4.8326 4.8392 12.1092 12.1189 12.2546 12.2554 12.7351 12.7358 13.1432 13.1456 13.8114 13.8118 k =-0.3453 0.5592 0.2118 ( 4272 PWs) bands (ev): -12.8899 -12.8898 -12.6527 -12.6527 -11.2316 -11.2315 -9.8211 -9.8189 -9.2545 -9.2503 -8.8356 -8.8282 -2.9811 -2.9810 -2.2211 -2.2172 -1.0598 -1.0589 -1.0296 -1.0284 -0.7187 -0.7134 -0.5565 -0.5468 1.0448 1.0499 1.0764 1.0806 1.6715 1.6734 2.1628 2.1640 2.4575 2.4609 2.6798 2.6802 3.3647 3.3691 3.7534 3.7584 4.0302 4.0327 4.2820 4.2834 4.7017 4.7036 4.8251 4.8316 12.1003 12.1100 12.2211 12.2217 12.6960 12.6966 13.1655 13.1686 13.7915 13.7918 k =-0.3453 0.5592 0.2281 ( 4276 PWs) bands (ev): -12.8846 -12.8845 -12.6557 -12.6557 -11.2058 -11.2058 -9.8077 -9.8057 -9.3047 -9.3006 -8.8574 -8.8503 -2.9249 -2.9246 -2.2427 -2.2391 -1.0893 -1.0878 -1.0772 -1.0769 -0.6814 -0.6763 -0.4696 -0.4599 1.0595 1.0641 1.0900 1.0943 1.6328 1.6338 2.1576 2.1587 2.4296 2.4317 2.6822 2.6822 3.3903 3.3944 3.7487 3.7537 4.0438 4.0466 4.2794 4.2808 4.6857 4.6876 4.8166 4.8228 12.0959 12.1057 12.1858 12.1863 12.6634 12.6638 13.1876 13.1912 13.7678 13.7680 k =-0.3453 0.5592 0.2444 ( 4283 PWs) bands (ev): -12.8790 -12.8789 -12.6589 -12.6588 -11.1783 -11.1782 -9.7934 -9.7915 -9.3569 -9.3529 -8.8803 -8.8735 -2.8669 -2.8664 -2.2612 -2.2578 -1.1484 -1.1476 -1.0984 -1.0978 -0.6400 -0.6351 -0.3825 -0.3727 1.0721 1.0760 1.1045 1.1089 1.5926 1.5927 2.1525 2.1537 2.3990 2.3997 2.6848 2.6851 3.4156 3.4195 3.7440 3.7490 4.0579 4.0609 4.2770 4.2784 4.6690 4.6707 4.8068 4.8130 12.0963 12.1060 12.1496 12.1498 12.6373 12.6377 13.2091 13.2133 13.7397 13.7399 k =-0.3453 0.5592 0.2607 ( 4277 PWs) bands (ev): -12.8732 -12.8730 -12.6623 -12.6622 -11.1489 -11.1489 -9.7782 -9.7764 -9.4108 -9.4070 -8.9044 -8.8978 -2.8073 -2.8066 -2.2764 -2.2732 -1.2082 -1.2076 -1.1216 -1.1210 -0.5947 -0.5900 -0.2954 -0.2857 1.0825 1.0857 1.1198 1.1244 1.5504 1.5510 2.1481 2.1493 2.3652 2.3657 2.6874 2.6880 3.4406 3.4443 3.7396 3.7445 4.0726 4.0758 4.2749 4.2762 4.6515 4.6530 4.7959 4.8019 12.1013 12.1098 12.1136 12.1150 12.6173 12.6177 13.2294 13.2344 13.7066 13.7069 k =-0.3453 0.5592 0.2770 ( 4271 PWs) bands (ev): -12.8671 -12.8669 -12.6659 -12.6659 -11.1177 -11.1177 -9.7620 -9.7603 -9.4662 -9.4626 -8.9294 -8.9231 -2.7465 -2.7457 -2.2883 -2.2855 -1.2679 -1.2675 -1.1471 -1.1466 -0.5459 -0.5414 -0.2089 -0.1993 1.0904 1.0930 1.1359 1.1405 1.5069 1.5082 2.1447 2.1460 2.3282 2.3300 2.6896 2.6904 3.4650 3.4686 3.7353 3.7402 4.0878 4.0912 4.2731 4.2745 4.6333 4.6347 4.7838 4.7897 12.0785 12.0786 12.1115 12.1216 12.6029 12.6033 13.2480 13.2536 13.6679 13.6683 k =-0.3453 0.5592 0.2933 ( 4265 PWs) bands (ev): -12.8607 -12.8606 -12.6698 -12.6698 -11.0849 -11.0848 -9.7448 -9.7433 -9.5229 -9.5195 -8.9553 -8.9493 -2.6848 -2.6838 -2.2971 -2.2944 -1.3272 -1.3271 -1.1747 -1.1742 -0.4936 -0.4894 -0.1232 -0.1136 1.0958 1.0979 1.1523 1.1570 1.4627 1.4645 2.1428 2.1440 2.2888 2.2919 2.6908 2.6918 3.4887 3.4921 3.7313 3.7362 4.1036 4.1073 4.2718 4.2731 4.6147 4.6159 4.7704 4.7761 12.0461 12.0465 12.1263 12.1364 12.5934 12.5938 13.2640 13.2702 13.6227 13.6234 k =-0.3453 0.5592 0.3096 ( 4267 PWs) bands (ev): -12.8542 -12.8540 -12.6739 -12.6739 -11.0503 -11.0501 -9.7267 -9.7253 -9.5807 -9.5774 -8.9820 -8.9763 -2.6225 -2.6214 -2.3026 -2.3002 -1.3862 -1.3861 -1.2043 -1.2038 -0.4382 -0.4343 -0.0387 -0.0292 1.0987 1.1002 1.1686 1.1732 1.4184 1.4206 2.1425 2.1439 2.2474 2.2516 2.6905 2.6917 3.5114 3.5147 3.7277 3.7325 4.1202 4.1240 4.2711 4.2724 4.5956 4.5967 4.7558 4.7613 12.0171 12.0178 12.1459 12.1560 12.5879 12.5883 13.2763 13.2831 13.5705 13.5716 k =-0.3453 0.5592 0.3259 ( 4273 PWs) bands (ev): -12.8475 -12.8473 -12.6783 -12.6782 -11.0140 -11.0137 -9.7077 -9.7065 -9.6393 -9.6362 -9.0094 -9.0040 -2.5598 -2.5586 -2.3050 -2.3028 -1.4444 -1.4442 -1.2357 -1.2354 -0.3797 -0.3762 0.0443 0.0536 1.0991 1.1001 1.1835 1.1875 1.3757 1.3776 2.1444 2.1459 2.2040 2.2094 2.6882 2.6895 3.5331 3.5362 3.7244 3.7291 4.1375 4.1414 4.2709 4.2722 4.5763 4.5772 4.7398 4.7452 11.9926 11.9936 12.1701 12.1802 12.5855 12.5860 13.2836 13.2910 13.5112 13.5129 k =-0.3453 0.5592 0.3422 ( 4271 PWs) bands (ev): -12.8406 -12.8404 -12.6829 -12.6828 -10.9760 -10.9757 -9.6987 -9.6959 -9.6876 -9.6866 -9.0374 -9.0324 -2.4971 -2.4957 -2.3042 -2.3023 -1.5018 -1.5015 -1.2690 -1.2687 -0.3184 -0.3153 0.1253 0.1344 1.0969 1.0973 1.1932 1.1957 1.3386 1.3393 2.1488 2.1501 2.1592 2.1655 2.6836 2.6850 3.5534 3.5565 3.7215 3.7261 4.1557 4.1597 4.2715 4.2728 4.5568 4.5576 4.7226 4.7279 11.9732 11.9745 12.1987 12.2088 12.5853 12.5858 13.2845 13.2925 13.4457 13.4481 k =-0.3453 0.5592 0.3585 ( 4273 PWs) bands (ev): -12.8336 -12.8334 -12.6877 -12.6876 -10.9364 -10.9360 -9.7584 -9.7556 -9.6670 -9.6661 -9.0660 -9.0612 -2.4344 -2.4330 -2.3003 -2.2986 -1.5580 -1.5576 -1.3040 -1.3039 -0.2545 -0.2518 0.2041 0.2130 1.0920 1.0921 1.1885 1.1891 1.3143 1.3166 2.1126 2.1200 2.1559 2.1575 2.6764 2.6777 3.5724 3.5753 3.7190 3.7235 4.1748 4.1789 4.2728 4.2741 4.5373 4.5379 4.7042 4.7094 11.9595 11.9611 12.2316 12.2417 12.5861 12.5865 13.2780 13.2863 13.3765 13.3795 k =-0.3453 0.5592 0.3748 ( 4273 PWs) bands (ev): -12.8265 -12.8263 -12.6927 -12.6927 -10.8952 -10.8947 -9.8185 -9.8158 -9.6454 -9.6446 -9.0949 -9.0905 -2.3721 -2.3706 -2.2934 -2.2919 -1.6130 -1.6125 -1.3408 -1.3407 -0.1883 -0.1859 0.2803 0.2890 1.0841 1.0847 1.1590 1.1625 1.3112 1.3165 2.0653 2.0735 2.1659 2.1675 2.6661 2.6676 3.5898 3.5927 3.7168 3.7212 4.1949 4.1991 4.2750 4.2762 4.5179 4.5184 4.6846 4.6896 11.9519 11.9538 12.2685 12.2785 12.5861 12.5865 13.2632 13.2717 13.3067 13.3102 k =-0.3453 0.5592 0.3911 ( 4275 PWs) bands (ev): -12.8193 -12.8191 -12.6980 -12.6979 -10.8524 -10.8519 -9.8787 -9.8762 -9.6229 -9.6223 -9.1242 -9.1201 -2.3103 -2.3087 -2.2834 -2.2822 -1.6667 -1.6661 -1.3792 -1.3792 -0.1199 -0.1180 0.3535 0.3620 1.0736 1.0747 1.1142 1.1191 1.3243 1.3311 2.0173 2.0263 2.1790 2.1806 2.6529 2.6543 3.6058 3.6085 3.7150 3.7193 4.2159 4.2202 4.2780 4.2792 4.4987 4.4990 4.6639 4.6688 11.9508 11.9530 12.3092 12.3191 12.5835 12.5838 13.2394 13.2408 13.2435 13.2490 k =-0.3453 0.5592 0.4073 ( 4275 PWs) bands (ev): -12.8120 -12.8118 -12.7035 -12.7034 -10.8081 -10.8075 -9.9389 -9.9365 -9.5996 -9.5992 -9.1538 -9.1500 -2.2706 -2.2697 -2.2489 -2.2474 -1.7188 -1.7182 -1.4193 -1.4192 -0.0496 -0.0483 0.4236 0.4318 1.0603 1.0603 1.0635 1.0673 1.3453 1.3528 1.9690 1.9786 2.1951 2.1968 2.6364 2.6378 3.6201 3.6228 3.7134 3.7175 4.2380 4.2422 4.2821 4.2832 4.4799 4.4800 4.6421 4.6469 11.9563 11.9588 12.3533 12.3632 12.5756 12.5756 13.1812 13.1849 13.2086 13.2174 k =-0.3453 0.5592 0.4236 ( 4283 PWs) bands (ev): -12.8047 -12.8045 -12.7092 -12.7091 -10.7623 -10.7616 -9.9989 -9.9967 -9.5755 -9.5753 -9.1835 -9.1800 -2.2548 -2.2541 -2.1885 -2.1870 -1.7693 -1.7687 -1.4610 -1.4608 0.0222 0.0230 0.4903 0.4982 1.0047 1.0105 1.0446 1.0467 1.3704 1.3785 1.9207 1.9308 2.2144 2.2160 2.6169 2.6183 3.6330 3.6357 3.7118 3.7158 4.2610 4.2651 4.2872 4.2882 4.4614 4.4614 4.6194 4.6240 11.9686 11.9712 12.4006 12.4104 12.5593 12.5597 13.1336 13.1372 13.1701 13.1788 k =-0.3453 0.5592 0.4399 ( 4284 PWs) bands (ev): -12.7974 -12.7972 -12.7151 -12.7150 -10.7151 -10.7143 -10.0587 -10.0566 -9.5507 -9.5506 -9.2133 -9.2101 -2.2363 -2.2356 -2.1289 -2.1274 -1.8181 -1.8175 -1.5043 -1.5039 0.0953 0.0955 0.5533 0.5609 0.9446 0.9504 1.0259 1.0285 1.3984 1.4069 1.8727 1.8833 2.2366 2.2383 2.5943 2.5957 3.6446 3.6472 3.7102 3.7139 4.2849 4.2879 4.2942 4.2944 4.4433 4.4435 4.5958 4.6003 11.9875 11.9904 12.4507 12.4604 12.5326 12.5335 13.1006 13.1039 13.1257 13.1342 k =-0.3453 0.5592 0.4562 ( 4278 PWs) bands (ev): -12.7900 -12.7899 -12.7212 -12.7211 -10.6665 -10.6656 -10.1180 -10.1161 -9.5253 -9.5250 -9.2431 -9.2402 -2.2149 -2.2145 -2.0703 -2.0688 -1.8651 -1.8645 -1.5490 -1.5485 0.1690 0.1694 0.6126 0.6199 0.8819 0.8876 1.0045 1.0076 1.4285 1.4374 1.8254 1.8363 2.2616 2.2632 2.5691 2.5705 3.6548 3.6574 3.7083 3.7119 4.2993 4.3009 4.3100 4.3147 4.4259 4.4262 4.5713 4.5758 12.0131 12.0161 12.4931 12.4965 12.5053 12.5130 13.0755 13.0838 13.0844 13.0873 k =-0.3453 0.5592 0.4725 ( 4287 PWs) bands (ev): -12.7827 -12.7826 -12.7274 -12.7273 -10.6165 -10.6156 -10.1768 -10.1750 -9.4993 -9.4988 -9.2728 -9.2702 -2.1908 -2.1906 -2.0127 -2.0113 -1.9101 -1.9096 -1.5951 -1.5945 0.2430 0.2440 0.6681 0.6750 0.8169 0.8223 0.9803 0.9838 1.4606 1.4699 1.7791 1.7900 2.2890 2.2906 2.5414 2.5428 3.6640 3.6666 3.7061 3.7095 4.3077 4.3090 4.3353 4.3398 4.4092 4.4097 4.5462 4.5506 12.0450 12.0482 12.4480 12.4503 12.5585 12.5676 13.0230 13.0316 13.0814 13.0836 k =-0.3453 0.5592 0.4888 ( 4281 PWs) bands (ev): -12.7755 -12.7753 -12.7339 -12.7338 -10.5653 -10.5643 -10.2349 -10.2333 -9.4727 -9.4719 -9.3024 -9.3000 -2.1641 -2.1640 -1.9572 -1.9556 -1.9521 -1.9519 -1.6427 -1.6420 0.3173 0.3189 0.7197 0.7261 0.7499 0.7549 0.9530 0.9569 1.4945 1.5042 1.7339 1.7449 2.3186 2.3201 2.5116 2.5130 3.6721 3.6747 3.7033 3.7066 4.3169 4.3181 4.3612 4.3657 4.3932 4.3939 4.5205 4.5249 12.0828 12.0862 12.3951 12.3978 12.6150 12.6241 12.9672 12.9758 13.0914 13.0931 k =-0.3453 0.5592 0.5051 ( 4281 PWs) bands (ev): -12.7683 -12.7681 -12.7405 -12.7404 -10.5129 -10.5118 -10.2924 -10.2908 -9.4454 -9.4444 -9.3317 -9.3296 -2.1349 -2.1349 -1.9941 -1.9936 -1.9007 -1.8995 -1.6917 -1.6909 0.3915 0.3938 0.6807 0.6853 0.7677 0.7737 0.9227 0.9270 1.5302 1.5402 1.6900 1.7010 2.3497 2.3513 2.4803 2.4817 3.6793 3.6820 3.7000 3.7030 4.3271 4.3282 4.3780 4.3784 4.3881 4.3922 4.4943 4.4987 12.1263 12.1297 12.3390 12.3420 12.6729 12.6819 12.9095 12.9181 13.1109 13.1123 k =-0.3453 0.5592 0.5214 ( 4282 PWs) bands (ev): -12.7612 -12.7610 -12.7473 -12.7471 -10.4593 -10.4581 -10.3490 -10.3475 -9.4177 -9.4164 -9.3607 -9.3589 -2.1032 -2.1031 -2.0328 -2.0324 -1.8466 -1.8454 -1.7420 -1.7411 0.4652 0.4681 0.6101 0.6142 0.8117 0.8174 0.8891 0.8939 1.5676 1.5780 1.6476 1.6584 2.3821 2.3835 2.4479 2.4493 3.6856 3.6884 3.6959 3.6989 4.3384 4.3394 4.3639 4.3646 4.4145 4.4187 4.4679 4.4721 12.1746 12.1780 12.2823 12.2855 12.7318 12.7407 12.8507 12.8593 13.1378 13.1390 k =-0.3453 0.5592 0.5377 ( 4282 PWs) bands (ev): -12.7541 -12.7541 -12.7540 -12.7540 -10.4046 -10.4046 -10.4033 -10.4033 -9.3894 -9.3894 -9.3879 -9.3879 -2.0692 -2.0692 -2.0689 -2.0689 -1.7937 -1.7937 -1.7926 -1.7926 0.5382 0.5382 0.5417 0.5417 0.8521 0.8521 0.8574 0.8574 1.6068 1.6068 1.6174 1.6174 2.4150 2.4150 2.4164 2.4164 3.6912 3.6912 3.6940 3.6940 4.3506 4.3506 4.3515 4.3515 4.4412 4.4412 4.4454 4.4454 12.2270 12.2270 12.2303 12.2303 12.7912 12.7912 12.8000 12.8000 13.1703 13.1703 k =-0.3453 0.5592 0.5377 ( 4282 PWs) bands (ev): -12.7541 -12.7541 -12.7540 -12.7540 -10.4046 -10.4046 -10.4033 -10.4033 -9.3894 -9.3894 -9.3879 -9.3879 -2.0692 -2.0692 -2.0689 -2.0689 -1.7937 -1.7937 -1.7926 -1.7926 0.5382 0.5382 0.5417 0.5417 0.8521 0.8521 0.8574 0.8574 1.6068 1.6068 1.6174 1.6174 2.4150 2.4150 2.4164 2.4164 3.6912 3.6912 3.6940 3.6940 4.3506 4.3506 4.3515 4.3515 4.4412 4.4412 4.4454 4.4454 12.2270 12.2270 12.2303 12.2303 12.7912 12.7912 12.8000 12.8000 13.1703 13.1703 k =-0.3539 0.5453 0.5377 ( 4290 PWs) bands (ev): -12.7501 -12.7501 -12.7499 -12.7499 -10.4331 -10.4331 -10.4318 -10.4318 -9.3593 -9.3593 -9.3578 -9.3578 -2.1392 -2.1392 -2.1390 -2.1390 -1.7475 -1.7475 -1.7464 -1.7464 0.5475 0.5475 0.5510 0.5510 0.8600 0.8600 0.8649 0.8649 1.6160 1.6160 1.6264 1.6264 2.4259 2.4259 2.4272 2.4272 3.6781 3.6781 3.6810 3.6810 4.3778 4.3778 4.3787 4.3787 4.4169 4.4169 4.4212 4.4212 12.1786 12.1786 12.1819 12.1819 12.7905 12.7905 12.7988 12.7988 13.2015 13.2015 k =-0.3625 0.5314 0.5377 ( 4290 PWs) bands (ev): -12.7462 -12.7462 -12.7461 -12.7461 -10.4600 -10.4600 -10.4588 -10.4588 -9.3298 -9.3298 -9.3283 -9.3283 -2.2070 -2.2070 -2.2070 -2.2070 -1.7038 -1.7038 -1.7027 -1.7027 0.5559 0.5559 0.5592 0.5592 0.8677 0.8677 0.8722 0.8722 1.6252 1.6252 1.6352 1.6352 2.4380 2.4380 2.4392 2.4392 3.6640 3.6640 3.6671 3.6671 4.3937 4.3937 4.3974 4.3974 4.4068 4.4068 4.4071 4.4071 12.1299 12.1299 12.1332 12.1332 12.7892 12.7892 12.7971 12.7971 13.2342 13.2342 k =-0.3711 0.5175 0.5377 ( 4282 PWs) bands (ev): -12.7425 -12.7425 -12.7424 -12.7424 -10.4855 -10.4855 -10.4844 -10.4844 -9.3011 -9.3011 -9.2997 -9.2997 -2.2725 -2.2725 -2.2724 -2.2724 -1.6625 -1.6625 -1.6614 -1.6614 0.5633 0.5633 0.5666 0.5666 0.8750 0.8750 0.8793 0.8793 1.6342 1.6342 1.6439 1.6439 2.4511 2.4511 2.4522 2.4522 3.6491 3.6491 3.6522 3.6522 4.3728 4.3728 4.3769 4.3769 4.4344 4.4344 4.4352 4.4352 12.0819 12.0819 12.0850 12.0850 12.7880 12.7880 12.7955 12.7955 13.2675 13.2675 k =-0.3797 0.5036 0.5377 ( 4290 PWs) bands (ev): -12.7391 -12.7391 -12.7390 -12.7390 -10.5095 -10.5095 -10.5085 -10.5085 -9.2732 -9.2732 -9.2719 -9.2719 -2.3352 -2.3352 -2.3351 -2.3351 -1.6237 -1.6237 -1.6226 -1.6226 0.5700 0.5700 0.5732 0.5732 0.8821 0.8821 0.8860 0.8860 1.6429 1.6429 1.6522 1.6522 2.4651 2.4651 2.4660 2.4660 3.6334 3.6334 3.6365 3.6365 4.3533 4.3533 4.3573 4.3573 4.4629 4.4629 4.4637 4.4637 12.0350 12.0350 12.0380 12.0380 12.7874 12.7874 12.7944 12.7944 13.3009 13.3009 k =-0.3883 0.4897 0.5377 ( 4284 PWs) bands (ev): -12.7359 -12.7359 -12.7358 -12.7358 -10.5320 -10.5320 -10.5310 -10.5310 -9.2465 -9.2465 -9.2452 -9.2452 -2.3950 -2.3950 -2.3948 -2.3948 -1.5874 -1.5874 -1.5864 -1.5864 0.5761 0.5761 0.5791 0.5791 0.8888 0.8888 0.8924 0.8924 1.6512 1.6512 1.6601 1.6601 2.4797 2.4797 2.4805 2.4805 3.6171 3.6171 3.6201 3.6201 4.3353 4.3353 4.3392 4.3392 4.4913 4.4913 4.4920 4.4920 11.9899 11.9899 11.9927 11.9927 12.7878 12.7878 12.7944 12.7944 13.3337 13.3337 k =-0.3969 0.4757 0.5377 ( 4284 PWs) bands (ev): -12.7329 -12.7329 -12.7328 -12.7328 -10.5529 -10.5529 -10.5519 -10.5519 -9.2209 -9.2209 -9.2197 -9.2197 -2.4515 -2.4515 -2.4513 -2.4513 -1.5538 -1.5538 -1.5528 -1.5528 0.5815 0.5815 0.5844 0.5844 0.8951 0.8951 0.8985 0.8985 1.6590 1.6590 1.6674 1.6674 2.4947 2.4947 2.4954 2.4954 3.6005 3.6005 3.6034 3.6034 4.3190 4.3190 4.3227 4.3227 4.5193 4.5193 4.5200 4.5200 11.9469 11.9469 11.9496 11.9496 12.7897 12.7897 12.7958 12.7958 13.3654 13.3654 k =-0.4055 0.4618 0.5377 ( 4284 PWs) bands (ev): -12.7301 -12.7301 -12.7300 -12.7300 -10.5722 -10.5722 -10.5713 -10.5713 -9.1967 -9.1967 -9.1955 -9.1955 -2.5046 -2.5046 -2.5043 -2.5043 -1.5228 -1.5228 -1.5218 -1.5218 0.5865 0.5865 0.5891 0.5891 0.9011 0.9011 0.9041 0.9041 1.6662 1.6662 1.6740 1.6740 2.5099 2.5099 2.5105 2.5105 3.5836 3.5836 3.5864 3.5864 4.3042 4.3042 4.3077 4.3077 4.5465 4.5465 4.5472 4.5472 11.9065 11.9065 11.9089 11.9089 12.7931 12.7931 12.7988 12.7988 13.3957 13.3957 k =-0.4141 0.4479 0.5377 ( 4280 PWs) bands (ev): -12.7276 -12.7276 -12.7275 -12.7275 -10.5899 -10.5899 -10.5891 -10.5891 -9.1739 -9.1739 -9.1729 -9.1729 -2.5539 -2.5539 -2.5536 -2.5536 -1.4944 -1.4944 -1.4935 -1.4935 0.5910 0.5910 0.5934 0.5934 0.9067 0.9067 0.9094 0.9094 1.6728 1.6728 1.6801 1.6801 2.5251 2.5251 2.5256 2.5256 3.5669 3.5669 3.5695 3.5695 4.2909 4.2909 4.2942 4.2942 4.5728 4.5728 4.5734 4.5734 11.8687 11.8687 11.8710 11.8710 12.7984 12.7984 12.8036 12.8036 13.4241 13.4243 k =-0.4227 0.4340 0.5377 ( 4288 PWs) bands (ev): -12.7253 -12.7253 -12.7253 -12.7253 -10.6059 -10.6059 -10.6052 -10.6052 -9.1529 -9.1529 -9.1519 -9.1519 -2.5992 -2.5992 -2.5990 -2.5990 -1.4687 -1.4687 -1.4678 -1.4678 0.5950 0.5950 0.5972 0.5972 0.9118 0.9118 0.9142 0.9142 1.6788 1.6788 1.6854 1.6854 2.5400 2.5400 2.5404 2.5404 3.5504 3.5504 3.5529 3.5529 4.2791 4.2791 4.2821 4.2821 4.5977 4.5977 4.5982 4.5982 11.8340 11.8340 11.8361 11.8361 12.8056 12.8056 12.8103 12.8103 13.4506 13.4506 k =-0.4313 0.4201 0.5377 ( 4284 PWs) bands (ev): -12.7233 -12.7233 -12.7232 -12.7232 -10.6203 -10.6203 -10.6197 -10.6197 -9.1336 -9.1336 -9.1327 -9.1327 -2.6404 -2.6404 -2.6401 -2.6401 -1.4456 -1.4456 -1.4449 -1.4449 0.5986 0.5986 0.6007 0.6007 0.9165 0.9165 0.9186 0.9186 1.6841 1.6841 1.6901 1.6901 2.5544 2.5544 2.5547 2.5547 3.5346 3.5346 3.5369 3.5369 4.2688 4.2688 4.2715 4.2715 4.6209 4.6209 4.6214 4.6214 11.8025 11.8025 11.8043 11.8043 12.8144 12.8144 12.8187 12.8187 13.4747 13.4748 k =-0.4399 0.4062 0.5377 ( 4278 PWs) bands (ev): -12.7215 -12.7215 -12.7214 -12.7214 -10.6331 -10.6331 -10.6325 -10.6325 -9.1162 -9.1162 -9.1154 -9.1154 -2.6772 -2.6772 -2.6770 -2.6770 -1.4253 -1.4253 -1.4246 -1.4246 0.6018 0.6018 0.6037 0.6037 0.9206 0.9206 0.9225 0.9225 1.6888 1.6888 1.6941 1.6941 2.5680 2.5680 2.5682 2.5682 3.5197 3.5197 3.5217 3.5217 4.2598 4.2598 4.2622 4.2622 4.6422 4.6422 4.6426 4.6426 11.7743 11.7743 11.7759 11.7759 12.8248 12.8248 12.8285 12.8285 13.4964 13.4965 k =-0.4484 0.3922 0.5377 ( 4280 PWs) bands (ev): -12.7199 -12.7199 -12.7199 -12.7199 -10.6441 -10.6441 -10.6436 -10.6436 -9.1008 -9.1008 -9.1002 -9.1002 -2.7095 -2.7095 -2.7093 -2.7093 -1.4076 -1.4076 -1.4070 -1.4070 0.6047 0.6047 0.6063 0.6063 0.9243 0.9243 0.9260 0.9260 1.6928 1.6928 1.6974 1.6974 2.5804 2.5804 2.5806 2.5806 3.5060 3.5060 3.5078 3.5078 4.2522 4.2522 4.2543 4.2543 4.6612 4.6612 4.6616 4.6616 11.7497 11.7497 11.7511 11.7511 12.8361 12.8361 12.8394 12.8394 13.5155 13.5155 k =-0.4570 0.3783 0.5377 ( 4284 PWs) bands (ev): -12.7186 -12.7186 -12.7186 -12.7186 -10.6535 -10.6535 -10.6531 -10.6531 -9.0877 -9.0877 -9.0871 -9.0871 -2.7371 -2.7371 -2.7369 -2.7369 -1.3927 -1.3927 -1.3922 -1.3922 0.6071 0.6071 0.6085 0.6085 0.9275 0.9275 0.9289 0.9289 1.6962 1.6962 1.7001 1.7001 2.5916 2.5916 2.5917 2.5917 3.4937 3.4937 3.4953 3.4953 4.2459 4.2459 4.2476 4.2476 4.6778 4.6778 4.6781 4.6781 11.7286 11.7286 11.7298 11.7298 12.8480 12.8480 12.8508 12.8508 13.5318 13.5318 k =-0.4656 0.3644 0.5377 ( 4288 PWs) bands (ev): -12.7175 -12.7175 -12.7175 -12.7175 -10.6612 -10.6612 -10.6608 -10.6608 -9.0767 -9.0767 -9.0762 -9.0762 -2.7599 -2.7599 -2.7597 -2.7597 -1.3804 -1.3804 -1.3800 -1.3800 0.6092 0.6092 0.6102 0.6102 0.9302 0.9302 0.9312 0.9312 1.6990 1.6990 1.7022 1.7022 2.6011 2.6011 2.6012 2.6012 3.4833 3.4833 3.4846 3.4846 4.2408 4.2408 4.2422 4.2422 4.6917 4.6917 4.6920 4.6920 11.7113 11.7113 11.7122 11.7122 12.8596 12.8596 12.8618 12.8618 13.5453 13.5453 k =-0.4742 0.3505 0.5377 ( 4288 PWs) bands (ev): -12.7167 -12.7167 -12.7166 -12.7166 -10.6671 -10.6671 -10.6669 -10.6669 -9.0681 -9.0681 -9.0677 -9.0677 -2.7777 -2.7777 -2.7776 -2.7776 -1.3709 -1.3709 -1.3706 -1.3706 0.6108 0.6108 0.6116 0.6116 0.9323 0.9323 0.9331 0.9331 1.7013 1.7013 1.7036 1.7036 2.6089 2.6089 2.6089 2.6089 3.4749 3.4749 3.4759 3.4759 4.2369 4.2369 4.2379 4.2379 4.7028 4.7028 4.7029 4.7029 11.6978 11.6978 11.6985 11.6985 12.8700 12.8700 12.8717 12.8717 13.5559 13.5559 k =-0.4828 0.3366 0.5377 ( 4288 PWs) bands (ev): -12.7161 -12.7161 -12.7160 -12.7160 -10.6714 -10.6714 -10.6712 -10.6712 -9.0619 -9.0619 -9.0616 -9.0616 -2.7905 -2.7905 -2.7904 -2.7904 -1.3641 -1.3641 -1.3639 -1.3639 0.6120 0.6120 0.6126 0.6126 0.9338 0.9338 0.9344 0.9344 1.7030 1.7030 1.7046 1.7046 2.6145 2.6145 2.6146 2.6146 3.4688 3.4688 3.4695 3.4695 4.2342 4.2342 4.2349 4.2349 4.7107 4.7107 4.7109 4.7109 11.6881 11.6881 11.6886 11.6886 12.8784 12.8784 12.8796 12.8796 13.5634 13.5634 k =-0.4914 0.3227 0.5377 ( 4288 PWs) bands (ev): -12.7157 -12.7157 -12.7157 -12.7157 -10.6739 -10.6739 -10.6738 -10.6738 -9.0581 -9.0581 -9.0580 -9.0580 -2.7982 -2.7982 -2.7982 -2.7982 -1.3600 -1.3600 -1.3599 -1.3599 0.6128 0.6128 0.6131 0.6131 0.9348 0.9348 0.9351 0.9351 1.7042 1.7042 1.7050 1.7050 2.6180 2.6180 2.6180 2.6180 3.4651 3.4651 3.4655 3.4655 4.2326 4.2326 4.2330 4.2330 4.7156 4.7156 4.7157 4.7157 11.6823 11.6823 11.6826 11.6826 12.8840 12.8840 12.8846 12.8846 13.5680 13.5680 k =-0.5000 0.3088 0.5377 ( 4288 PWs) bands (ev): -12.7156 -12.7156 -12.7156 -12.7156 -10.6747 -10.6747 -10.6747 -10.6747 -9.0568 -9.0568 -9.0568 -9.0568 -2.8008 -2.8008 -2.8008 -2.8008 -1.3586 -1.3586 -1.3586 -1.3586 0.6132 0.6132 0.6132 0.6132 0.9352 0.9352 0.9352 0.9352 1.7049 1.7049 1.7049 1.7049 2.6192 2.6192 2.6192 2.6192 3.4640 3.4640 3.4640 3.4640 4.2322 4.2322 4.2322 4.2322 4.7172 4.7172 4.7172 4.7172 11.6805 11.6805 11.6805 11.6805 12.8861 12.8861 12.8861 12.8861 13.5695 13.5695 k =-0.5000 0.3088 0.5377 ( 4288 PWs) bands (ev): -12.7156 -12.7156 -12.7156 -12.7156 -10.6747 -10.6747 -10.6747 -10.6747 -9.0568 -9.0568 -9.0568 -9.0568 -2.8008 -2.8008 -2.8008 -2.8008 -1.3586 -1.3586 -1.3586 -1.3586 0.6132 0.6132 0.6132 0.6132 0.9352 0.9352 0.9352 0.9352 1.7049 1.7049 1.7049 1.7049 2.6192 2.6192 2.6192 2.6192 3.4640 3.4640 3.4640 3.4640 4.2322 4.2322 4.2322 4.2322 4.7172 4.7172 4.7172 4.7172 11.6805 11.6805 11.6805 11.6805 12.8861 12.8861 12.8861 12.8861 13.5695 13.5695 k =-0.5000 0.3088 0.5214 ( 4292 PWs) bands (ev): -12.7208 -12.7208 -12.7104 -12.7104 -10.7320 -10.7320 -10.6164 -10.6164 -9.0617 -9.0617 -9.0520 -9.0520 -2.8044 -2.8044 -2.7940 -2.7940 -1.4207 -1.4207 -1.3001 -1.3001 0.5389 0.5389 0.6891 0.6891 0.9305 0.9305 0.9372 0.9372 1.6750 1.6750 1.7366 1.7366 2.6144 2.6144 2.6210 2.6210 3.4459 3.4459 3.4813 3.4813 4.2117 4.2117 4.2534 4.2534 4.7158 4.7158 4.7196 4.7196 11.6771 11.6771 11.6916 11.6916 12.8775 12.8775 12.8910 12.8910 13.5238 13.5238 k =-0.5000 0.3088 0.5051 ( 4300 PWs) bands (ev): -12.7261 -12.7261 -12.7054 -12.7054 -10.7880 -10.7880 -10.5570 -10.5570 -9.0668 -9.0668 -9.0474 -9.0474 -2.8048 -2.8048 -2.7841 -2.7841 -1.4866 -1.4866 -1.2453 -1.2453 0.4670 0.4670 0.7659 0.7659 0.9228 0.9228 0.9365 0.9365 1.6475 1.6475 1.7698 1.7698 2.6064 2.6064 2.6202 2.6202 3.4270 3.4270 3.4976 3.4976 4.1918 4.1918 4.2749 4.2749 4.7153 4.7153 4.7229 4.7229 11.6810 11.6810 11.7104 11.7104 12.8659 12.8659 12.8916 12.8916 13.4783 13.4783 k =-0.5000 0.3088 0.4888 ( 4288 PWs) bands (ev): -12.7314 -12.7314 -12.7004 -12.7004 -10.8428 -10.8428 -10.4966 -10.4966 -9.0720 -9.0720 -9.0429 -9.0429 -2.8020 -2.8020 -2.7710 -2.7710 -1.5560 -1.5560 -1.1940 -1.1940 0.3978 0.3978 0.8423 0.8423 0.9120 0.9120 0.9333 0.9333 1.6234 1.6234 1.8041 1.8041 2.5952 2.5952 2.6170 2.6170 3.4074 3.4074 3.5130 3.5130 4.1728 4.1728 4.2966 4.2966 4.7158 4.7158 4.7269 4.7269 11.6920 11.6920 11.7372 11.7372 12.8518 12.8518 12.8874 12.8874 13.4334 13.4334 k =-0.5000 0.3088 0.4725 ( 4292 PWs) bands (ev): -12.7368 -12.7368 -12.6956 -12.6956 -10.8963 -10.8963 -10.4354 -10.4354 -9.0773 -9.0773 -9.0386 -9.0386 -2.7961 -2.7961 -2.7549 -2.7549 -1.6290 -1.6290 -1.1461 -1.1461 0.3317 0.3317 0.8979 0.8979 0.9169 0.9169 0.9276 0.9276 1.6039 1.6039 1.8393 1.8393 2.5806 2.5806 2.6120 2.6120 3.3873 3.3873 3.5275 3.5275 4.1546 4.1546 4.3184 4.3184 4.7173 4.7173 4.7317 4.7317 11.7095 11.7095 11.7718 11.7718 12.8360 12.8360 12.8781 12.8781 13.3898 13.3898 k =-0.5000 0.3088 0.4562 ( 4286 PWs) bands (ev): -12.7422 -12.7422 -12.6909 -12.6909 -10.9484 -10.9484 -10.3734 -10.3734 -9.0827 -9.0827 -9.0345 -9.0345 -2.7870 -2.7870 -2.7356 -2.7356 -1.7052 -1.7052 -1.1016 -1.1016 0.2688 0.2688 0.8805 0.8805 0.9191 0.9191 0.9875 0.9875 1.5907 1.5907 1.8752 1.8752 2.5627 2.5627 2.6055 2.6055 3.3668 3.3668 3.5411 3.5411 4.1374 4.1374 4.3399 4.3399 4.7199 4.7199 4.7372 4.7372 11.7330 11.7330 11.8144 11.8144 12.8189 12.8189 12.8637 12.8637 13.3481 13.3481 k =-0.5000 0.3088 0.4399 ( 4284 PWs) bands (ev): -12.7476 -12.7476 -12.6863 -12.6863 -10.9991 -10.9991 -10.3108 -10.3108 -9.0882 -9.0882 -9.0306 -9.0306 -2.7747 -2.7747 -2.7134 -2.7134 -1.7845 -1.7845 -1.0601 -1.0601 0.2094 0.2094 0.8594 0.8594 0.9082 0.9082 1.0508 1.0508 1.5867 1.5867 1.9115 1.9115 2.5415 2.5415 2.5980 2.5980 3.3461 3.3461 3.5539 3.5539 4.1210 4.1210 4.3609 4.3609 4.7237 4.7237 4.7433 4.7433 11.7619 11.7619 11.8647 11.8647 12.8011 12.8011 12.8444 12.8444 13.3090 13.3090 k =-0.5000 0.3088 0.4236 ( 4290 PWs) bands (ev): -12.7531 -12.7531 -12.6819 -12.6819 -11.0482 -11.0482 -10.2476 -10.2476 -9.0937 -9.0937 -9.0269 -9.0269 -2.7593 -2.7593 -2.6883 -2.6883 -1.8665 -1.8665 -1.0216 -1.0216 0.1533 0.1533 0.8345 0.8345 0.8948 0.8948 1.1032 1.1032 1.5951 1.5951 1.9481 1.9481 2.5174 2.5174 2.5899 2.5899 3.3255 3.3255 3.5660 3.5660 4.1054 4.1054 4.3813 4.3813 4.7285 4.7285 4.7500 4.7500 11.7954 11.7954 11.9226 11.9226 12.7830 12.7830 12.8206 12.8206 13.2732 13.2732 k =-0.5000 0.3088 0.4073 ( 4290 PWs) bands (ev): -12.7585 -12.7585 -12.6776 -12.6776 -11.0959 -11.0959 -10.1840 -10.1840 -9.0993 -9.0993 -9.0234 -9.0234 -2.7409 -2.7409 -2.6603 -2.6603 -1.9509 -1.9509 -0.9859 -0.9859 0.1007 0.1007 0.8057 0.8057 0.8787 0.8787 1.1414 1.1414 1.6188 1.6188 1.9848 1.9848 2.4906 2.4906 2.5818 2.5818 3.3050 3.3050 3.5772 3.5772 4.0905 4.0905 4.4008 4.4008 4.7346 4.7346 4.7571 4.7571 11.8326 11.8326 11.9878 11.9878 12.7649 12.7649 12.7931 12.7931 13.2414 13.2414 k =-0.5000 0.3088 0.3911 ( 4294 PWs) bands (ev): -12.7638 -12.7638 -12.6734 -12.6734 -11.1419 -11.1419 -10.1202 -10.1202 -9.1048 -9.1048 -9.0201 -9.0201 -2.7194 -2.7194 -2.6295 -2.6295 -2.0373 -2.0373 -0.9528 -0.9528 0.0514 0.0514 0.7729 0.7729 0.8598 0.8598 1.1642 1.1642 1.6587 1.6587 2.0216 2.0216 2.4615 2.4615 2.5739 2.5739 3.2850 3.2850 3.5878 3.5878 4.0763 4.0763 4.4193 4.4193 4.7418 4.7418 4.7647 4.7647 11.8724 11.8724 12.0601 12.0601 12.7471 12.7471 12.7626 12.7626 13.2147 13.2147 k =-0.5000 0.3088 0.3748 ( 4294 PWs) bands (ev): -12.7691 -12.7691 -12.6694 -12.6694 -11.1864 -11.1864 -10.0562 -10.0562 -9.1104 -9.1104 -9.0169 -9.0169 -2.6950 -2.6950 -2.5960 -2.5960 -2.1253 -2.1253 -0.9222 -0.9222 0.0054 0.0054 0.7360 0.7360 0.8381 0.8381 1.1734 1.1734 1.7124 1.7124 2.0582 2.0582 2.4305 2.4305 2.5669 2.5669 3.2654 3.2654 3.5976 3.5976 4.0626 4.0626 4.4367 4.4367 4.7501 4.7501 4.7727 4.7727 11.9136 11.9136 12.1391 12.1391 12.7275 12.7275 12.7323 12.7323 13.1939 13.1939 k =-0.5000 0.3088 0.3585 ( 4286 PWs) bands (ev): -12.7743 -12.7743 -12.6656 -12.6656 -11.2292 -11.2292 -9.9922 -9.9922 -9.1159 -9.1159 -9.0140 -9.0140 -2.6677 -2.6677 -2.5599 -2.5599 -2.2144 -2.2144 -0.8938 -0.8938 -0.0375 -0.0375 0.6950 0.6950 0.8135 0.8135 1.1725 1.1725 1.7762 1.7762 2.0946 2.0946 2.3982 2.3982 2.5608 2.5608 3.2465 3.2465 3.6067 3.6067 4.0494 4.0494 4.4528 4.4528 4.7596 4.7596 4.7810 4.7810 11.9550 11.9550 12.2244 12.2244 12.6944 12.6944 12.7150 12.7150 13.1800 13.1800 k =-0.5000 0.3088 0.3422 ( 4278 PWs) bands (ev): -12.7795 -12.7795 -12.6620 -12.6620 -11.2703 -11.2703 -9.9284 -9.9284 -9.1214 -9.1214 -9.0113 -9.0113 -2.6376 -2.6376 -2.5213 -2.5213 -2.3042 -2.3042 -0.8676 -0.8676 -0.0775 -0.0775 0.6499 0.6499 0.7858 0.7858 1.1650 1.1650 1.8462 1.8462 2.1305 2.1305 2.3650 2.3650 2.5561 2.5561 3.2282 3.2282 3.6152 3.6152 4.0367 4.0367 4.4675 4.4675 4.7702 4.7702 4.7895 4.7895 11.9953 11.9953 12.3156 12.3156 12.6591 12.6591 12.7002 12.7002 13.1740 13.1740 k =-0.5000 0.3088 0.3259 ( 4282 PWs) bands (ev): -12.7845 -12.7845 -12.6585 -12.6585 -11.3096 -11.3096 -9.8649 -9.8649 -9.1268 -9.1268 -9.0087 -9.0087 -2.6048 -2.6048 -2.4803 -2.4803 -2.3942 -2.3942 -0.8434 -0.8434 -0.1146 -0.1146 0.6011 0.6011 0.7550 0.7550 1.1532 1.1532 1.9195 1.9195 2.1659 2.1659 2.3315 2.3315 2.5529 2.5529 3.2107 3.2107 3.6230 3.6230 4.0244 4.0244 4.4808 4.4808 4.7819 4.7819 4.7981 4.7981 12.0330 12.0330 12.4121 12.4121 12.6233 12.6233 12.6869 12.6869 13.1768 13.1768 k =-0.5000 0.3088 0.3096 ( 4290 PWs) bands (ev): -12.7894 -12.7894 -12.6552 -12.6552 -11.3473 -11.3473 -9.8021 -9.8021 -9.1321 -9.1321 -9.0064 -9.0064 -2.5694 -2.5694 -2.4839 -2.4839 -2.4372 -2.4372 -0.8210 -0.8210 -0.1491 -0.1491 0.5485 0.5485 0.7210 0.7210 1.1391 1.1391 1.9940 1.9940 2.2007 2.2007 2.2982 2.2982 2.5513 2.5513 3.1940 3.1940 3.6301 3.6301 4.0124 4.0124 4.4928 4.4928 4.7947 4.7947 4.8069 4.8069 12.0670 12.0670 12.5135 12.5135 12.5875 12.5875 12.6752 12.6752 13.1893 13.1893 k =-0.5000 0.3088 0.2933 ( 4290 PWs) bands (ev): -12.7942 -12.7942 -12.6521 -12.6521 -11.3831 -11.3831 -9.7400 -9.7400 -9.1373 -9.1373 -9.0042 -9.0042 -2.5729 -2.5729 -2.5315 -2.5315 -2.3920 -2.3920 -0.8005 -0.8005 -0.1811 -0.1811 0.4925 0.4925 0.6838 0.6838 1.1236 1.1236 2.0683 2.0683 2.2346 2.2346 2.2657 2.2657 2.5513 2.5513 3.1781 3.1781 3.6365 3.6365 4.0007 4.0007 4.5033 4.5033 4.8083 4.8083 4.8157 4.8157 12.0965 12.0965 12.5521 12.5521 12.6194 12.6194 12.6653 12.6653 13.2117 13.2117 k =-0.5000 0.3088 0.2770 ( 4298 PWs) bands (ev): -12.7988 -12.7988 -12.6491 -12.6491 -11.4172 -11.4172 -9.6789 -9.6789 -9.1423 -9.1423 -9.0022 -9.0022 -2.6607 -2.6607 -2.4913 -2.4913 -2.3449 -2.3449 -0.7816 -0.7816 -0.2107 -0.2107 0.4335 0.4335 0.6435 0.6435 1.1075 1.1075 2.1413 2.1413 2.2339 2.2339 2.2680 2.2680 2.5531 2.5531 3.1630 3.1630 3.6423 3.6423 3.9893 3.9893 4.5124 4.5124 4.8224 4.8224 4.8249 4.8249 12.1208 12.1208 12.5177 12.5177 12.6571 12.6571 12.7286 12.7286 13.2441 13.2441 k =-0.5000 0.3088 0.2607 ( 4294 PWs) bands (ev): -12.8033 -12.8033 -12.6463 -12.6463 -11.4494 -11.4494 -9.6191 -9.6191 -9.1472 -9.1472 -9.0003 -9.0003 -2.7468 -2.7468 -2.4490 -2.4490 -2.2962 -2.2962 -0.7642 -0.7642 -0.2380 -0.2380 0.3717 0.3717 0.6002 0.6002 1.0914 1.0914 2.2037 2.2037 2.2124 2.2124 2.3001 2.3001 2.5564 2.5564 3.1488 3.1488 3.6473 3.6473 3.9783 3.9783 4.5201 4.5201 4.8327 4.8327 4.8386 4.8386 12.1400 12.1400 12.4843 12.4843 12.6511 12.6511 12.8407 12.8407 13.2858 13.2858 k =-0.5000 0.3088 0.2444 ( 4290 PWs) bands (ev): -12.8075 -12.8075 -12.6438 -12.6438 -11.4797 -11.4797 -9.5607 -9.5607 -9.1519 -9.1519 -8.9986 -8.9986 -2.8307 -2.8307 -2.4047 -2.4047 -2.2461 -2.2461 -0.7483 -0.7483 -0.2632 -0.2632 0.3077 0.3077 0.5541 0.5541 1.0756 1.0756 2.1755 2.1755 2.2802 2.2802 2.3313 2.3313 2.5612 2.5612 3.1353 3.1353 3.6517 3.6517 3.9677 3.9677 4.5266 4.5266 4.8413 4.8413 4.8544 4.8544 12.1543 12.1543 12.4522 12.4522 12.6471 12.6471 12.9547 12.9547 13.3359 13.3359 k =-0.5000 0.3088 0.2281 ( 4282 PWs) bands (ev): -12.8116 -12.8116 -12.6413 -12.6413 -11.5082 -11.5082 -9.5041 -9.5041 -9.1564 -9.1564 -8.9971 -8.9971 -2.9121 -2.9121 -2.3587 -2.3587 -2.1948 -2.1948 -0.7338 -0.7338 -0.2864 -0.2864 0.2418 0.2418 0.5056 0.5056 1.0603 1.0603 2.1491 2.1491 2.3434 2.3434 2.3629 2.3629 2.5674 2.5674 3.1227 3.1227 3.6554 3.6554 3.9574 3.9574 4.5320 4.5320 4.8496 4.8496 4.8708 4.8708 12.1644 12.1644 12.4217 12.4217 12.6452 12.6452 13.0695 13.0695 13.3930 13.3930 k =-0.5000 0.3088 0.2118 ( 4276 PWs) bands (ev): -12.8154 -12.8154 -12.6391 -12.6391 -11.5348 -11.5348 -9.4495 -9.4495 -9.1607 -9.1607 -8.9957 -8.9957 -2.9904 -2.9904 -2.3113 -2.3113 -2.1427 -2.1427 -0.7206 -0.7206 -0.3076 -0.3076 0.1746 0.1746 0.4550 0.4550 1.0456 1.0456 2.1249 2.1249 2.3857 2.3857 2.4105 2.4105 2.5746 2.5746 3.1110 3.1110 3.6585 3.6585 3.9476 3.9476 4.5362 4.5362 4.8575 4.8575 4.8875 4.8875 12.1710 12.1710 12.3928 12.3928 12.6454 12.6454 13.1840 13.1840 13.4189 13.4189 k =-0.5000 0.3088 0.1955 ( 4274 PWs) bands (ev): -12.8191 -12.8191 -12.6370 -12.6370 -11.5595 -11.5595 -9.3972 -9.3972 -9.1647 -9.1647 -8.9945 -8.9945 -3.0652 -3.0652 -2.2627 -2.2627 -2.0901 -2.0901 -0.7087 -0.7087 -0.3270 -0.3270 0.1067 0.1067 0.4028 0.4028 1.0318 1.0318 2.1028 2.1028 2.4135 2.4135 2.4671 2.4671 2.5828 2.5828 3.1000 3.1000 3.6609 3.6609 3.9382 3.9382 4.5394 4.5394 4.8651 4.8651 4.9044 4.9044 12.1747 12.1747 12.3658 12.3658 12.6478 12.6478 13.2963 13.2963 13.3932 13.3932 k =-0.5000 0.3088 0.1792 ( 4272 PWs) bands (ev): -12.8225 -12.8225 -12.6351 -12.6351 -11.5823 -11.5823 -9.3476 -9.3476 -9.1685 -9.1685 -8.9933 -8.9933 -3.1361 -3.1361 -2.2134 -2.2134 -2.0374 -2.0374 -0.6979 -0.6979 -0.3445 -0.3445 0.0387 0.0387 0.3495 0.3495 1.0189 1.0189 2.0828 2.0828 2.4387 2.4387 2.5207 2.5207 2.5916 2.5916 3.0899 3.0899 3.6627 3.6627 3.9294 3.9294 4.5418 4.5418 4.8723 4.8723 4.9211 4.9211 12.1764 12.1764 12.3406 12.3406 12.6522 12.6522 13.3672 13.3672 13.4047 13.4047 k =-0.5000 0.3088 0.1629 ( 4272 PWs) bands (ev): -12.8256 -12.8256 -12.6334 -12.6334 -11.6032 -11.6032 -9.3009 -9.3009 -9.1720 -9.1720 -8.9923 -8.9923 -3.2026 -3.2026 -2.1639 -2.1639 -1.9852 -1.9852 -0.6883 -0.6883 -0.3604 -0.3604 -0.0288 -0.0288 0.2958 0.2958 1.0069 1.0069 2.0651 2.0651 2.4620 2.4620 2.5701 2.5701 2.6008 2.6008 3.0807 3.0807 3.6640 3.6640 3.9211 3.9211 4.5435 4.5435 4.8791 4.8791 4.9374 4.9374 12.1766 12.1766 12.3174 12.3174 12.6586 12.6586 13.3418 13.3418 13.5060 13.5060 k =-0.5000 0.3088 0.1466 ( 4264 PWs) bands (ev): -12.8285 -12.8285 -12.6318 -12.6318 -11.6221 -11.6221 -9.2574 -9.2574 -9.1752 -9.1752 -8.9915 -8.9915 -3.2643 -3.2643 -2.1145 -2.1145 -1.9339 -1.9339 -0.6797 -0.6797 -0.3746 -0.3746 -0.0949 -0.0949 0.2425 0.2425 0.9960 0.9960 2.0495 2.0495 2.4834 2.4834 2.6102 2.6102 2.6151 2.6151 3.0723 3.0723 3.6648 3.6648 3.9134 3.9134 4.5445 4.5445 4.8854 4.8854 4.9532 4.9532 12.1759 12.1759 12.2963 12.2963 12.6667 12.6667 13.3172 13.3172 13.5972 13.5972 k =-0.5000 0.3088 0.1304 ( 4256 PWs) bands (ev): -12.8310 -12.8310 -12.6304 -12.6304 -11.6390 -11.6390 -9.2175 -9.2175 -9.1782 -9.1782 -8.9907 -8.9907 -3.3207 -3.3207 -2.0660 -2.0660 -1.8843 -1.8843 -0.6722 -0.6722 -0.3872 -0.3872 -0.1590 -0.1590 0.1904 0.1904 0.9862 0.9862 2.0358 2.0358 2.5028 2.5028 2.6195 2.6195 2.6556 2.6556 3.0648 3.0648 3.6651 3.6651 3.9064 3.9064 4.5450 4.5450 4.8911 4.8911 4.9682 4.9682 12.1746 12.1746 12.2773 12.2773 12.6763 12.6763 13.2938 13.2938 13.6746 13.6746 k =-0.5000 0.3088 0.1141 ( 4256 PWs) bands (ev): -12.8334 -12.8334 -12.6292 -12.6292 -11.6539 -11.6539 -9.1819 -9.1819 -9.1802 -9.1802 -8.9900 -8.9900 -3.3716 -3.3716 -2.0192 -2.0192 -1.8371 -1.8371 -0.6656 -0.6656 -0.3983 -0.3983 -0.2200 -0.2200 0.1405 0.1405 0.9774 0.9774 2.0241 2.0241 2.5201 2.5201 2.6284 2.6284 2.6915 2.6915 3.0581 3.0581 3.6652 3.6652 3.9001 3.9001 4.5452 4.5452 4.8962 4.8962 4.9821 4.9821 12.1729 12.1729 12.2604 12.2604 12.6872 12.6872 13.2722 13.2722 13.7146 13.7146 k =-0.5000 0.3088 0.0978 ( 4246 PWs) bands (ev): -12.8354 -12.8354 -12.6282 -12.6282 -11.6669 -11.6669 -9.1831 -9.1831 -9.1494 -9.1494 -8.9895 -8.9895 -3.4165 -3.4165 -1.9749 -1.9749 -1.7931 -1.7931 -0.6600 -0.6600 -0.4078 -0.4078 -0.2768 -0.2768 0.0937 0.0937 0.9698 0.9698 2.0143 2.0143 2.5352 2.5352 2.6367 2.6367 2.7227 2.7227 3.0523 3.0523 3.6650 3.6650 3.8945 3.8945 4.5451 4.5451 4.9008 4.9008 4.9947 4.9947 12.1713 12.1713 12.2457 12.2457 12.6987 12.6987 13.2527 13.2527 13.6679 13.6679 k =-0.5000 0.3088 0.0815 ( 4242 PWs) bands (ev): -12.8371 -12.8371 -12.6273 -12.6273 -11.6779 -11.6779 -9.1850 -9.1850 -9.1218 -9.1218 -8.9890 -8.9890 -3.4552 -3.4552 -1.9342 -1.9342 -1.7533 -1.7533 -0.6553 -0.6553 -0.4158 -0.4158 -0.3284 -0.3284 0.0513 0.0513 0.9633 0.9633 2.0061 2.0061 2.5482 2.5482 2.6442 2.6442 2.7491 2.7491 3.0473 3.0473 3.6646 3.6646 3.8898 3.8898 4.5448 4.5448 4.9047 4.9047 5.0058 5.0058 12.1697 12.1697 12.2333 12.2333 12.7104 12.7104 13.2356 13.2356 13.6256 13.6256 k =-0.5000 0.3088 0.0652 ( 4248 PWs) bands (ev): -12.8385 -12.8385 -12.6266 -12.6266 -11.6869 -11.6869 -9.1867 -9.1867 -9.0989 -9.0989 -8.9886 -8.9886 -3.4872 -3.4872 -1.8984 -1.8984 -1.7188 -1.7188 -0.6515 -0.6515 -0.4223 -0.4223 -0.3732 -0.3732 0.0144 0.0144 0.9580 0.9580 1.9996 1.9996 2.5589 2.5589 2.6506 2.6506 2.7707 2.7707 3.0433 3.0433 3.6642 3.6642 3.8858 3.8858 4.5445 4.5445 4.9079 4.9079 5.0152 5.0152 12.1683 12.1683 12.2231 12.2231 12.7216 12.7216 13.2212 13.2212 13.5888 13.5888 k =-0.5000 0.3088 0.0489 ( 4250 PWs) bands (ev): -12.8396 -12.8396 -12.6260 -12.6260 -11.6940 -11.6940 -9.1879 -9.1879 -9.0809 -9.0809 -8.9883 -8.9883 -3.5124 -3.5124 -1.8686 -1.8686 -1.6905 -1.6905 -0.6486 -0.6486 -0.4275 -0.4275 -0.4100 -0.4100 -0.0159 -0.0159 0.9539 0.9539 1.9946 1.9946 2.5673 2.5673 2.6558 2.6558 2.7876 2.7876 3.0401 3.0401 3.6637 3.6637 3.8827 3.8827 4.5441 4.5441 4.9104 4.9104 5.0227 5.0227 12.1671 12.1671 12.2152 12.2152 12.7314 12.7314 13.2097 13.2097 13.5588 13.5588 k =-0.5000 0.3088 0.0326 ( 4242 PWs) bands (ev): -12.8404 -12.8404 -12.6256 -12.6256 -11.6990 -11.6990 -9.1888 -9.1888 -9.0679 -9.0679 -8.9881 -8.9881 -3.5305 -3.5305 -1.8461 -1.8461 -1.6694 -1.6694 -0.6465 -0.6465 -0.4383 -0.4383 -0.4304 -0.4304 -0.0384 -0.0384 0.9509 0.9509 1.9911 1.9911 2.5733 2.5733 2.6597 2.6597 2.7996 2.7996 3.0379 3.0379 3.6634 3.6634 3.8805 3.8805 4.5438 4.5438 4.9122 4.9122 5.0281 5.0281 12.1663 12.1663 12.2095 12.2095 12.7392 12.7392 13.2014 13.2014 13.5364 13.5364 k =-0.5000 0.3088 0.0163 ( 4238 PWs) bands (ev): -12.8409 -12.8409 -12.6254 -12.6254 -11.7020 -11.7020 -9.1894 -9.1894 -9.0600 -9.0600 -8.9880 -8.9880 -3.5415 -3.5415 -1.8322 -1.8322 -1.6564 -1.6564 -0.6453 -0.6453 -0.4550 -0.4550 -0.4329 -0.4329 -0.0524 -0.0524 0.9491 0.9491 1.9890 1.9890 2.5769 2.5769 2.6620 2.6620 2.8069 2.8069 3.0365 3.0365 3.6632 3.6632 3.8791 3.8791 4.5436 4.5436 4.9133 4.9133 5.0315 5.0315 12.1658 12.1658 12.2061 12.2061 12.7442 12.7442 13.1964 13.1964 13.5226 13.5226 k =-0.5000 0.3088 0.0000 ( 4242 PWs) bands (ev): -12.8411 -12.8411 -12.6253 -12.6253 -11.7030 -11.7030 -9.1895 -9.1895 -9.0574 -9.0574 -8.9879 -8.9879 -3.5451 -3.5451 -1.8274 -1.8274 -1.6520 -1.6520 -0.6449 -0.6449 -0.4608 -0.4608 -0.4336 -0.4336 -0.0571 -0.0571 0.9485 0.9485 1.9883 1.9883 2.5781 2.5781 2.6628 2.6628 2.8093 2.8093 3.0361 3.0361 3.6631 3.6631 3.8787 3.8787 4.5436 4.5436 4.9137 4.9137 5.0326 5.0326 12.1656 12.1656 12.2049 12.2049 12.7460 12.7460 13.1947 13.1947 13.5179 13.5179 k = 0.0000 0.0000 0.5377 ( 4248 PWs) bands (ev): -12.9348 -12.9348 -12.9348 -12.9348 -10.1729 -10.1729 -10.1729 -10.1729 -9.0560 -9.0560 -9.0560 -9.0560 -3.9039 -3.9039 -3.9039 -3.9039 -0.2442 -0.2442 -0.2442 -0.2442 -0.2340 -0.2340 -0.2340 -0.2340 0.8186 0.8186 0.8186 0.8186 1.8191 1.8191 1.8191 1.8191 2.8943 2.8943 2.8943 2.8943 3.9179 3.9179 3.9179 3.9179 4.0903 4.0903 4.0903 4.0903 5.3416 5.3416 5.3416 5.3416 11.4479 11.4479 11.4479 11.4479 12.2545 12.2545 12.2545 12.2545 12.9629 12.9629 k =-0.0139 0.0086 0.5377 ( 4244 PWs) bands (ev): -12.9344 -12.9344 -12.9344 -12.9344 -10.1739 -10.1739 -10.1738 -10.1738 -9.0560 -9.0560 -9.0559 -9.0559 -3.9024 -3.9024 -3.9022 -3.9022 -0.2709 -0.2709 -0.2679 -0.2679 -0.2107 -0.2107 -0.2075 -0.2075 0.8196 0.8196 0.8197 0.8197 1.8177 1.8177 1.8179 1.8179 2.8950 2.8950 2.8952 2.8952 3.9167 3.9167 3.9177 3.9177 4.0882 4.0882 4.0890 4.0890 5.3413 5.3413 5.3415 5.3415 11.4477 11.4477 11.4480 11.4480 12.2565 12.2565 12.2572 12.2572 12.9632 12.9632 k =-0.0278 0.0172 0.5377 ( 4260 PWs) bands (ev): -12.9334 -12.9334 -12.9333 -12.9333 -10.1769 -10.1769 -10.1768 -10.1768 -9.0559 -9.0559 -9.0557 -9.0557 -3.8977 -3.8977 -3.8972 -3.8972 -0.3011 -0.3011 -0.2980 -0.2980 -0.1817 -0.1817 -0.1784 -0.1784 0.8229 0.8229 0.8232 0.8232 1.8139 1.8139 1.8142 1.8142 2.8970 2.8970 2.8975 2.8975 3.9140 3.9140 3.9161 3.9161 4.0828 4.0828 4.0846 4.0846 5.3407 5.3407 5.3409 5.3409 11.4475 11.4475 11.4481 11.4481 12.2631 12.2631 12.2644 12.2644 12.9642 12.9642 k =-0.0417 0.0257 0.5377 ( 4272 PWs) bands (ev): -12.9316 -12.9316 -12.9315 -12.9315 -10.1818 -10.1818 -10.1816 -10.1816 -9.0557 -9.0557 -9.0553 -9.0553 -3.8899 -3.8899 -3.8891 -3.8891 -0.3318 -0.3318 -0.3288 -0.3288 -0.1529 -0.1529 -0.1495 -0.1495 0.8284 0.8284 0.8288 0.8288 1.8075 1.8075 1.8081 1.8081 2.9005 2.9005 2.9012 2.9012 3.9099 3.9099 3.9131 3.9131 4.0744 4.0744 4.0771 4.0771 5.3395 5.3395 5.3399 5.3399 11.4474 11.4474 11.4482 11.4482 12.2742 12.2742 12.2761 12.2761 12.9660 12.9660 k =-0.0556 0.0343 0.5377 ( 4272 PWs) bands (ev): -12.9291 -12.9291 -12.9290 -12.9290 -10.1886 -10.1886 -10.1884 -10.1884 -9.0554 -9.0554 -9.0549 -9.0549 -3.8788 -3.8788 -3.8779 -3.8779 -0.3630 -0.3630 -0.3601 -0.3601 -0.1242 -0.1242 -0.1208 -0.1208 0.8362 0.8362 0.8367 0.8367 1.7988 1.7988 1.7996 1.7996 2.9052 2.9052 2.9061 2.9061 3.9041 3.9041 3.9084 3.9084 4.0635 4.0635 4.0671 4.0671 5.3378 5.3378 5.3383 5.3383 11.4474 11.4474 11.4484 11.4484 12.2895 12.2895 12.2920 12.2920 12.9684 12.9684 k =-0.0694 0.0429 0.5377 ( 4280 PWs) bands (ev): -12.9260 -12.9260 -12.9258 -12.9258 -10.1972 -10.1972 -10.1969 -10.1969 -9.0551 -9.0551 -9.0544 -9.0544 -3.8647 -3.8647 -3.8636 -3.8636 -0.3947 -0.3947 -0.3918 -0.3918 -0.0957 -0.0957 -0.0923 -0.0923 0.8460 0.8460 0.8467 0.8467 1.7877 1.7877 1.7887 1.7887 2.9109 2.9109 2.9120 2.9120 3.8965 3.8965 3.9020 3.9020 4.0506 4.0506 4.0552 4.0552 5.3352 5.3352 5.3358 5.3358 11.4478 11.4478 11.4490 11.4490 12.3088 12.3088 12.3120 12.3120 12.9715 12.9715 k =-0.0833 0.0515 0.5377 ( 4288 PWs) bands (ev): -12.9221 -12.9221 -12.9219 -12.9219 -10.2075 -10.2075 -10.2073 -10.2073 -9.0546 -9.0546 -9.0539 -9.0539 -3.8476 -3.8476 -3.8462 -3.8462 -0.4269 -0.4269 -0.4242 -0.4242 -0.0674 -0.0674 -0.0639 -0.0639 0.8580 0.8580 0.8588 0.8588 1.7743 1.7743 1.7755 1.7755 2.9173 2.9173 2.9186 2.9186 3.8870 3.8870 3.8936 3.8936 4.0364 4.0364 4.0419 4.0419 5.3317 5.3317 5.3323 5.3323 11.4487 11.4487 11.4500 11.4500 12.3318 12.3318 12.3356 12.3356 12.9752 12.9752 k =-0.0972 0.0600 0.5377 ( 4284 PWs) bands (ev): -12.9176 -12.9176 -12.9174 -12.9174 -10.2196 -10.2196 -10.2192 -10.2192 -9.0541 -9.0541 -9.0533 -9.0533 -3.8274 -3.8274 -3.8258 -3.8258 -0.4597 -0.4597 -0.4570 -0.4570 -0.0392 -0.0392 -0.0357 -0.0357 0.8721 0.8721 0.8730 0.8730 1.7588 1.7588 1.7602 1.7602 2.9242 2.9242 2.9257 2.9257 3.8754 3.8754 3.8831 3.8831 4.0218 4.0218 4.0281 4.0281 5.3269 5.3269 5.3276 5.3276 11.4502 11.4502 11.4517 11.4517 12.3581 12.3581 12.3625 12.3625 12.9794 12.9794 k =-0.1111 0.0686 0.5377 ( 4284 PWs) bands (ev): -12.9124 -12.9124 -12.9122 -12.9122 -10.2331 -10.2331 -10.2328 -10.2328 -9.0536 -9.0536 -9.0527 -9.0527 -3.8044 -3.8044 -3.8026 -3.8026 -0.4930 -0.4930 -0.4904 -0.4904 -0.0111 -0.0111 -0.0075 -0.0075 0.8882 0.8882 0.8892 0.8892 1.7412 1.7412 1.7427 1.7427 2.9311 2.9311 2.9329 2.9329 3.8617 3.8617 3.8703 3.8703 4.0075 4.0075 4.0144 4.0144 5.3208 5.3208 5.3214 5.3214 11.4525 11.4525 11.4542 11.4542 12.3874 12.3874 12.3923 12.3923 12.9842 12.9842 k =-0.1250 0.0772 0.5377 ( 4284 PWs) bands (ev): -12.9067 -12.9067 -12.9064 -12.9064 -10.2481 -10.2481 -10.2478 -10.2478 -9.0531 -9.0531 -9.0521 -9.0521 -3.7786 -3.7786 -3.7766 -3.7766 -0.5268 -0.5268 -0.5242 -0.5242 0.0170 0.0170 0.0205 0.0205 0.9061 0.9061 0.9072 0.9072 1.7216 1.7216 1.7234 1.7234 2.9377 2.9377 2.9397 2.9397 3.8459 3.8459 3.8552 3.8552 3.9942 3.9942 4.0015 4.0015 5.3130 5.3130 5.3137 5.3137 11.4558 11.4558 11.4575 11.4575 12.4192 12.4192 12.4247 12.4247 12.9894 12.9894 k =-0.1389 0.0858 0.5377 ( 4290 PWs) bands (ev): -12.9004 -12.9004 -12.9001 -12.9001 -10.2645 -10.2645 -10.2641 -10.2641 -9.0526 -9.0526 -9.0516 -9.0516 -3.7501 -3.7501 -3.7479 -3.7479 -0.5611 -0.5611 -0.5587 -0.5587 0.0449 0.0449 0.0485 0.0485 0.9260 0.9260 0.9272 0.9272 1.7002 1.7002 1.7021 1.7021 2.9435 2.9435 2.9457 2.9457 3.8285 3.8285 3.8381 3.8381 3.9822 3.9822 3.9896 3.9896 5.3035 5.3035 5.3041 5.3041 11.4600 11.4600 11.4618 11.4618 12.4532 12.4532 12.4593 12.4593 12.9952 12.9952 k =-0.1528 0.0943 0.5377 ( 4290 PWs) bands (ev): -12.8935 -12.8935 -12.8932 -12.8932 -10.2820 -10.2820 -10.2815 -10.2815 -9.0522 -9.0522 -9.0511 -9.0511 -3.7190 -3.7190 -3.7167 -3.7167 -0.5960 -0.5960 -0.5936 -0.5936 0.0727 0.0727 0.0763 0.0763 0.9476 0.9476 0.9489 0.9489 1.6771 1.6771 1.6792 1.6792 2.9481 2.9481 2.9505 2.9505 3.8098 3.8098 3.8195 3.8195 3.9719 3.9719 3.9792 3.9792 5.2921 5.2921 5.2927 5.2927 11.4653 11.4653 11.4672 11.4672 12.4890 12.4890 12.4955 12.4955 13.0016 13.0016 k =-0.1667 0.1029 0.5377 ( 4298 PWs) bands (ev): -12.8861 -12.8861 -12.8858 -12.8858 -10.3005 -10.3005 -10.3001 -10.3001 -9.0518 -9.0518 -9.0506 -9.0506 -3.6855 -3.6855 -3.6830 -3.6830 -0.6314 -0.6314 -0.6289 -0.6289 0.1005 0.1005 0.1041 0.1041 0.9708 0.9708 0.9722 0.9722 1.6524 1.6524 1.6547 1.6547 2.9510 2.9510 2.9537 2.9537 3.7904 3.7904 3.8001 3.8001 3.9633 3.9633 3.9702 3.9702 5.2787 5.2787 5.2792 5.2792 11.4716 11.4716 11.4735 11.4735 12.5259 12.5259 12.5330 12.5330 13.0087 13.0087 k =-0.1806 0.1115 0.5377 ( 4290 PWs) bands (ev): -12.8783 -12.8783 -12.8779 -12.8779 -10.3199 -10.3199 -10.3195 -10.3195 -9.0515 -9.0515 -9.0502 -9.0502 -3.6497 -3.6497 -3.6471 -3.6471 -0.6672 -0.6672 -0.6648 -0.6648 0.1281 0.1281 0.1317 0.1317 0.9955 0.9955 0.9971 0.9971 1.6264 1.6264 1.6289 1.6289 2.9520 2.9520 2.9549 2.9549 3.7710 3.7710 3.7804 3.7804 3.9564 3.9564 3.9628 3.9628 5.2633 5.2633 5.2638 5.2638 11.4790 11.4790 11.4809 11.4809 12.5635 12.5635 12.5711 12.5711 13.0169 13.0169 k =-0.1944 0.1201 0.5377 ( 4292 PWs) bands (ev): -12.8700 -12.8700 -12.8697 -12.8697 -10.3401 -10.3401 -10.3397 -10.3397 -9.0512 -9.0512 -9.0500 -9.0500 -3.6118 -3.6118 -3.6091 -3.6091 -0.7034 -0.7034 -0.7011 -0.7011 0.1556 0.1556 0.1591 0.1591 1.0216 1.0216 1.0233 1.0233 1.5991 1.5991 1.6018 1.6018 2.9505 2.9505 2.9536 2.9536 3.7519 3.7519 3.7610 3.7610 3.9513 3.9513 3.9572 3.9572 5.2459 5.2459 5.2464 5.2464 11.4873 11.4873 11.4893 11.4893 12.6012 12.6012 12.6093 12.6093 13.0265 13.0265 k =-0.2083 0.1286 0.5377 ( 4288 PWs) bands (ev): -12.8614 -12.8614 -12.8610 -12.8610 -10.3609 -10.3609 -10.3604 -10.3604 -9.0510 -9.0510 -9.0498 -9.0498 -3.5719 -3.5719 -3.5691 -3.5691 -0.7400 -0.7400 -0.7377 -0.7377 0.1828 0.1828 0.1864 0.1864 1.0489 1.0489 1.0507 1.0507 1.5709 1.5709 1.5738 1.5738 2.9464 2.9464 2.9497 2.9497 3.7334 3.7334 3.7422 3.7422 3.9481 3.9481 3.9535 3.9535 5.2265 5.2265 5.2270 5.2270 11.4965 11.4965 11.4985 11.4985 12.6382 12.6382 12.6468 12.6468 13.0379 13.0379 k =-0.2222 0.1372 0.5377 ( 4288 PWs) bands (ev): -12.8524 -12.8524 -12.8521 -12.8521 -10.3822 -10.3822 -10.3817 -10.3817 -9.0509 -9.0509 -9.0497 -9.0497 -3.5303 -3.5303 -3.5273 -3.5273 -0.7770 -0.7770 -0.7748 -0.7748 0.2099 0.2099 0.2134 0.2134 1.0770 1.0770 1.0789 1.0789 1.5421 1.5421 1.5452 1.5452 2.9396 2.9396 2.9430 2.9430 3.7158 3.7158 3.7242 3.7242 3.9470 3.9470 3.9518 3.9518 5.2051 5.2051 5.2057 5.2057 11.5065 11.5065 11.5085 11.5085 12.6737 12.6737 12.6828 12.6828 13.0518 13.0518 k =-0.2361 0.1458 0.5377 ( 4292 PWs) bands (ev): -12.8432 -12.8432 -12.8429 -12.8429 -10.4037 -10.4037 -10.4032 -10.4032 -9.0509 -9.0509 -9.0497 -9.0497 -3.4870 -3.4870 -3.4840 -3.4840 -0.8143 -0.8143 -0.8121 -0.8121 0.2366 0.2366 0.2401 0.2401 1.1055 1.1055 1.1076 1.1076 1.5131 1.5131 1.5165 1.5165 2.9300 2.9300 2.9335 2.9335 3.6990 3.6990 3.7070 3.7070 3.9483 3.9483 3.9525 3.9525 5.1820 5.1820 5.1826 5.1826 11.5172 11.5172 11.5192 11.5192 12.7068 12.7068 12.7163 12.7163 13.0689 13.0689 k =-0.2500 0.1544 0.5377 ( 4292 PWs) bands (ev): -12.8338 -12.8338 -12.8335 -12.8335 -10.4254 -10.4254 -10.4249 -10.4249 -9.0510 -9.0510 -9.0498 -9.0498 -3.4424 -3.4424 -3.4393 -3.4393 -0.8519 -0.8519 -0.8497 -0.8497 0.2631 0.2631 0.2666 0.2666 1.1337 1.1337 1.1361 1.1361 1.4848 1.4848 1.4884 1.4884 2.9177 2.9177 2.9212 2.9212 3.6828 3.6828 3.6904 3.6904 3.9520 3.9520 3.9556 3.9556 5.1571 5.1571 5.1579 5.1579 11.5284 11.5284 11.5304 11.5304 12.7367 12.7367 12.7466 12.7466 13.0899 13.0899 k =-0.2639 0.1630 0.5377 ( 4286 PWs) bands (ev): -12.8243 -12.8243 -12.8239 -12.8239 -10.4470 -10.4470 -10.4465 -10.4465 -9.0512 -9.0512 -9.0500 -9.0500 -3.3967 -3.3967 -3.3935 -3.3935 -0.8896 -0.8896 -0.8874 -0.8874 0.2892 0.2892 0.2926 0.2926 1.1605 1.1605 1.1631 1.1631 1.4582 1.4582 1.4621 1.4621 2.9029 2.9029 2.9064 2.9064 3.6671 3.6671 3.6742 3.6742 3.9583 3.9583 3.9615 3.9615 5.1308 5.1308 5.1317 5.1317 11.5401 11.5401 11.5421 11.5421 12.7627 12.7627 12.7729 12.7729 13.1152 13.1152 k =-0.2778 0.1715 0.5377 ( 4284 PWs) bands (ev): -12.8148 -12.8148 -12.8144 -12.8144 -10.4685 -10.4685 -10.4680 -10.4680 -9.0514 -9.0514 -9.0503 -9.0503 -3.3501 -3.3501 -3.3469 -3.3469 -0.9274 -0.9274 -0.9252 -0.9252 0.3149 0.3149 0.3183 0.3183 1.1840 1.1840 1.1869 1.1869 1.4352 1.4352 1.4394 1.4394 2.8859 2.8859 2.8894 2.8894 3.6515 3.6515 3.6581 3.6581 3.9673 3.9673 3.9701 3.9701 5.1031 5.1031 5.1041 5.1041 11.5521 11.5521 11.5540 11.5540 12.7846 12.7846 12.7949 12.7949 13.1450 13.1450 k =-0.2917 0.1801 0.5377 ( 4284 PWs) bands (ev): -12.8052 -12.8052 -12.8048 -12.8048 -10.4896 -10.4896 -10.4891 -10.4891 -9.0517 -9.0517 -9.0506 -9.0506 -3.3028 -3.3028 -3.2996 -3.2996 -0.9653 -0.9653 -0.9631 -0.9631 0.3402 0.3402 0.3436 0.3436 1.2011 1.2011 1.2042 1.2042 1.4192 1.4192 1.4234 1.4234 2.8672 2.8672 2.8706 2.8706 3.6360 3.6360 3.6421 3.6421 3.9789 3.9789 3.9814 3.9814 5.0743 5.0743 5.0754 5.0754 11.5642 11.5642 11.5661 11.5661 12.8025 12.8025 12.8128 12.8128 13.1789 13.1789 k =-0.3056 0.1887 0.5377 ( 4292 PWs) bands (ev): -12.7957 -12.7957 -12.7953 -12.7953 -10.5103 -10.5103 -10.5098 -10.5098 -9.0521 -9.0521 -9.0510 -9.0510 -3.2553 -3.2553 -3.2521 -3.2521 -1.0029 -1.0029 -1.0008 -1.0008 0.3651 0.3651 0.3684 0.3684 1.2079 1.2079 1.2110 1.2110 1.4141 1.4141 1.4181 1.4181 2.8470 2.8470 2.8504 2.8504 3.6203 3.6203 3.6260 3.6260 3.9929 3.9929 3.9952 3.9952 5.0445 5.0445 5.0458 5.0458 11.5763 11.5763 11.5782 11.5782 12.8169 12.8169 12.8270 12.8270 13.2162 13.2162 k =-0.3194 0.1973 0.5377 ( 4296 PWs) bands (ev): -12.7864 -12.7864 -12.7860 -12.7860 -10.5303 -10.5303 -10.5298 -10.5298 -9.0525 -9.0525 -9.0515 -9.0515 -3.2078 -3.2078 -3.2046 -3.2046 -1.0403 -1.0403 -1.0382 -1.0382 0.3895 0.3895 0.3928 0.3928 1.2022 1.2022 1.2052 1.2052 1.4220 1.4220 1.4255 1.4255 2.8258 2.8258 2.8290 2.8290 3.6045 3.6045 3.6098 3.6098 4.0092 4.0092 4.0113 4.0113 5.0141 5.0141 5.0155 5.0155 11.5882 11.5882 11.5901 11.5901 12.8284 12.8284 12.8383 12.8383 13.2558 13.2558 k =-0.3333 0.2058 0.5377 ( 4304 PWs) bands (ev): -12.7774 -12.7774 -12.7770 -12.7770 -10.5495 -10.5495 -10.5491 -10.5491 -9.0530 -9.0530 -9.0520 -9.0520 -3.1606 -3.1606 -3.1575 -3.1575 -1.0772 -1.0772 -1.0752 -1.0752 0.4134 0.4134 0.4167 0.4167 1.1860 1.1860 1.1888 1.1888 1.4408 1.4408 1.4437 1.4437 2.8039 2.8039 2.8070 2.8070 3.5886 3.5886 3.5935 3.5935 4.0274 4.0274 4.0295 4.0295 4.9832 4.9832 4.9848 4.9848 11.5999 11.5999 11.6018 11.6018 12.8377 12.8377 12.8473 12.8473 13.2967 13.2967 k =-0.3472 0.2144 0.5377 ( 4300 PWs) bands (ev): -12.7686 -12.7686 -12.7683 -12.7683 -10.5679 -10.5679 -10.5675 -10.5675 -9.0535 -9.0535 -9.0526 -9.0526 -3.1142 -3.1142 -3.1112 -3.1112 -1.1134 -1.1134 -1.1114 -1.1114 0.4368 0.4368 0.4400 0.4400 1.1630 1.1630 1.1657 1.1657 1.4665 1.4665 1.4688 1.4688 2.7817 2.7817 2.7847 2.7847 3.5728 3.5728 3.5773 3.5773 4.0472 4.0472 4.0492 4.0492 4.9522 4.9522 4.9539 4.9539 11.6113 11.6113 11.6131 11.6131 12.8454 12.8454 12.8545 12.8545 13.3378 13.3378 k =-0.3611 0.2230 0.5377 ( 4296 PWs) bands (ev): -12.7603 -12.7603 -12.7600 -12.7600 -10.5851 -10.5851 -10.5847 -10.5847 -9.0539 -9.0539 -9.0531 -9.0531 -3.0690 -3.0690 -3.0661 -3.0661 -1.1487 -1.1487 -1.1468 -1.1468 0.4596 0.4596 0.4628 0.4628 1.1364 1.1364 1.1391 1.1391 1.4957 1.4957 1.4977 1.4977 2.7595 2.7595 2.7623 2.7623 3.5571 3.5571 3.5612 3.5612 4.0682 4.0682 4.0703 4.0703 4.9214 4.9214 4.9231 4.9231 11.6221 11.6221 11.6238 11.6238 12.8518 12.8518 12.8604 12.8604 13.3780 13.3780 k =-0.3750 0.2316 0.5377 ( 4292 PWs) bands (ev): -12.7525 -12.7525 -12.7522 -12.7522 -10.6012 -10.6012 -10.6008 -10.6008 -9.0544 -9.0544 -9.0537 -9.0537 -3.0254 -3.0254 -3.0226 -3.0226 -1.1827 -1.1827 -1.1808 -1.1808 0.4818 0.4818 0.4849 0.4849 1.1082 1.1082 1.1109 1.1109 1.5264 1.5264 1.5282 1.5282 2.7377 2.7377 2.7403 2.7403 3.5419 3.5419 3.5456 3.5456 4.0901 4.0901 4.0921 4.0921 4.8909 4.8909 4.8927 4.8927 11.6322 11.6322 11.6339 11.6339 12.8575 12.8575 12.8655 12.8655 13.4162 13.4162 k =-0.3889 0.2401 0.5377 ( 4292 PWs) bands (ev): -12.7453 -12.7453 -12.7450 -12.7450 -10.6160 -10.6160 -10.6156 -10.6156 -9.0549 -9.0549 -9.0542 -9.0542 -2.9840 -2.9840 -2.9814 -2.9814 -1.2150 -1.2150 -1.2133 -1.2133 0.5033 0.5033 0.5063 0.5063 1.0797 1.0797 1.0824 1.0824 1.5572 1.5572 1.5588 1.5588 2.7166 2.7166 2.7190 2.7190 3.5273 3.5273 3.5307 3.5307 4.1123 4.1123 4.1143 4.1143 4.8612 4.8612 4.8630 4.8630 11.6417 11.6417 11.6432 11.6432 12.8625 12.8625 12.8699 12.8699 13.4514 13.4514 k =-0.4028 0.2487 0.5377 ( 4288 PWs) bands (ev): -12.7387 -12.7387 -12.7384 -12.7384 -10.6293 -10.6293 -10.6290 -10.6290 -9.0553 -9.0553 -9.0547 -9.0547 -2.9453 -2.9453 -2.9430 -2.9430 -1.2453 -1.2453 -1.2437 -1.2437 0.5240 0.5240 0.5268 0.5268 1.0518 1.0518 1.0544 1.0544 1.5870 1.5870 1.5885 1.5885 2.6965 2.6965 2.6987 2.6987 3.5137 3.5137 3.5167 3.5167 4.1345 4.1345 4.1364 4.1364 4.8328 4.8328 4.8346 4.8346 11.6503 11.6503 11.6517 11.6517 12.8670 12.8670 12.8738 12.8738 13.4826 13.4826 k =-0.4167 0.2573 0.5377 ( 4294 PWs) bands (ev): -12.7328 -12.7328 -12.7325 -12.7325 -10.6410 -10.6410 -10.6408 -10.6408 -9.0557 -9.0557 -9.0552 -9.0552 -2.9100 -2.9100 -2.9079 -2.9079 -1.2730 -1.2730 -1.2716 -1.2716 0.5435 0.5435 0.5462 0.5462 1.0253 1.0253 1.0278 1.0278 1.6150 1.6150 1.6163 1.6163 2.6779 2.6779 2.6799 2.6799 3.5013 3.5013 3.5038 3.5038 4.1559 4.1559 4.1577 4.1577 4.8060 4.8060 4.8077 4.8077 11.6579 11.6579 11.6592 11.6592 12.8712 12.8712 12.8772 12.8772 13.5089 13.5089 k =-0.4306 0.2659 0.5377 ( 4294 PWs) bands (ev): -12.7277 -12.7277 -12.7275 -12.7275 -10.6512 -10.6512 -10.6510 -10.6510 -9.0561 -9.0561 -9.0556 -9.0556 -2.8786 -2.8786 -2.8767 -2.8767 -1.2977 -1.2977 -1.2965 -1.2965 0.5618 0.5618 0.5642 0.5642 1.0007 1.0007 1.0030 1.0030 1.6403 1.6403 1.6414 1.6414 2.6611 2.6611 2.6629 2.6629 3.4902 3.4902 3.4924 3.4924 4.1761 4.1761 4.1778 4.1778 4.7815 4.7815 4.7831 4.7831 11.6646 11.6646 11.6656 11.6656 12.8750 12.8750 12.8801 12.8801 13.5299 13.5299 k =-0.4444 0.2745 0.5377 ( 4290 PWs) bands (ev): -12.7234 -12.7234 -12.7232 -12.7232 -10.6596 -10.6596 -10.6594 -10.6594 -9.0564 -9.0564 -9.0560 -9.0560 -2.8518 -2.8518 -2.8502 -2.8502 -1.3189 -1.3189 -1.3178 -1.3178 0.5782 0.5782 0.5803 0.5803 0.9789 0.9789 0.9809 0.9809 1.6623 1.6623 1.6633 1.6633 2.6467 2.6467 2.6481 2.6481 3.4809 3.4809 3.4827 3.4827 4.1944 4.1944 4.1958 4.1958 4.7599 4.7599 4.7613 4.7613 11.6701 11.6701 11.6710 11.6710 12.8784 12.8784 12.8826 12.8826 13.5456 13.5456 k =-0.4583 0.2830 0.5377 ( 4298 PWs) bands (ev): -12.7200 -12.7200 -12.7199 -12.7199 -10.6662 -10.6662 -10.6661 -10.6661 -9.0566 -9.0566 -9.0563 -9.0563 -2.8301 -2.8301 -2.8289 -2.8289 -1.3360 -1.3360 -1.3351 -1.3351 0.5923 0.5923 0.5940 0.5940 0.9605 0.9605 0.9622 0.9622 1.6803 1.6803 1.6810 1.6810 2.6348 2.6348 2.6359 2.6359 3.4735 3.4735 3.4748 3.4748 4.2099 4.2099 4.2111 4.2111 4.7419 4.7419 4.7430 4.7430 11.6745 11.6745 11.6752 11.6752 12.8813 12.8813 12.8845 12.8845 13.5565 13.5565 k =-0.4722 0.2916 0.5377 ( 4284 PWs) bands (ev): -12.7176 -12.7176 -12.7175 -12.7175 -10.6709 -10.6709 -10.6709 -10.6709 -9.0567 -9.0567 -9.0565 -9.0565 -2.8141 -2.8141 -2.8133 -2.8133 -1.3485 -1.3485 -1.3479 -1.3479 0.6033 0.6033 0.6046 0.6046 0.9466 0.9466 0.9478 0.9478 1.6937 1.6937 1.6942 1.6942 2.6261 2.6261 2.6269 2.6269 3.4681 3.4681 3.4690 3.4690 4.2218 4.2218 4.2227 4.2227 4.7284 4.7284 4.7292 4.7292 11.6778 11.6778 11.6782 11.6782 12.8836 12.8836 12.8857 12.8857 13.5636 13.5636 k =-0.4861 0.3002 0.5377 ( 4288 PWs) bands (ev): -12.7161 -12.7161 -12.7160 -12.7160 -10.6738 -10.6738 -10.6738 -10.6738 -9.0568 -9.0568 -9.0567 -9.0567 -2.8042 -2.8042 -2.8038 -2.8038 -1.3561 -1.3561 -1.3558 -1.3558 0.6105 0.6105 0.6111 0.6111 0.9380 0.9380 0.9386 0.9386 1.7020 1.7020 1.7022 1.7022 2.6208 2.6208 2.6212 2.6212 3.4649 3.4649 3.4654 3.4654 4.2295 4.2295 4.2299 4.2299 4.7200 4.7200 4.7204 4.7204 11.6798 11.6798 11.6800 11.6800 12.8852 12.8852 12.8863 12.8863 13.5677 13.5677 k =-0.5000 0.3088 0.5377 ( 4288 PWs) bands (ev): -12.7156 -12.7156 -12.7156 -12.7156 -10.6747 -10.6747 -10.6747 -10.6747 -9.0568 -9.0568 -9.0568 -9.0568 -2.8008 -2.8008 -2.8008 -2.8008 -1.3586 -1.3586 -1.3586 -1.3586 0.6132 0.6132 0.6132 0.6132 0.9352 0.9352 0.9352 0.9352 1.7049 1.7049 1.7049 1.7049 2.6192 2.6192 2.6192 2.6192 3.4640 3.4640 3.4640 3.4640 4.2322 4.2322 4.2322 4.2322 4.7172 4.7172 4.7172 4.7172 11.6805 11.6805 11.6805 11.6805 12.8861 12.8861 12.8861 12.8861 13.5695 13.5695 Writing output data file Si2N2O.save init_run : 3.02s CPU 13.50s WALL ( 1 calls) electrons : 1290.39s CPU 1302.53s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.35s CPU 1.46s WALL ( 1 calls) Called by electrons: c_bands : 1290.36s CPU 1302.31s WALL ( 1 calls) v_of_rho : 0.14s CPU 0.92s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.12s CPU 0.61s WALL ( 1 calls) newd : 0.58s CPU 0.64s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.11s WALL ( 374 calls) cegterg : 1183.22s CPU 1191.49s WALL ( 1215 calls) Called by sum_band: Called by *egterg: h_psi : 430.81s CPU 444.37s WALL ( 22692 calls) s_psi : 67.67s CPU 68.02s WALL ( 22692 calls) g_psi : 0.95s CPU 1.06s WALL ( 21103 calls) cdiaghg : 532.49s CPU 527.81s WALL ( 21477 calls) cegterg:over : 86.68s CPU 82.92s WALL ( 21103 calls) cegterg:upda : 20.03s CPU 25.97s WALL ( 21103 calls) cegterg:last : 15.59s CPU 16.59s WALL ( 2716 calls) Called by h_psi: h_psi:vloc : 292.57s CPU 303.80s WALL ( 22692 calls) h_psi:vnl : 137.76s CPU 139.35s WALL ( 22692 calls) add_vuspsi : 50.54s CPU 57.38s WALL ( 22692 calls) General routines calbec : 87.15s CPU 81.76s WALL ( 22692 calls) fft : 0.33s CPU 1.31s WALL ( 19 calls) ffts : 0.01s CPU 0.02s WALL ( 4 calls) fftw : 274.42s CPU 282.42s WALL ( 1802884 calls) interpolate : 0.05s CPU 0.07s WALL ( 4 calls) davcio : 0.03s CPU 2.73s WALL ( 748 calls) Parallel routines fft_scatter : 178.17s CPU 181.79s WALL ( 1802907 calls) PWSCF : 22m52.49s CPU 25m46.37s WALL This run was terminated on: 17:44:56 24Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=