Program PWSCF v.5.1.1 starts on 29Dec2015 at 5:56:14 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: ./LiSi2N3.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 59 59 16 2309 2309 337 Max 60 60 18 2312 2312 339 Sum 2857 2857 801 110891 110891 16235 bravais-lattice index = 14 lattice parameter (alat) = 10.0479 a.u. unit-cell volume = 787.6959 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 411.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.047938 celldm(2)= 1.000000 celldm(3)= 0.898942 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.503893 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.503893 0.863766 0.000000 ) a(3) = ( 0.000000 0.000000 0.898942 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.583367 -0.000000 ) b(2) = ( 0.000000 1.157721 -0.000000 ) b(3) = ( 0.000000 0.000000 1.112419 ) PseudoPot. # 1 for Li read from file: /home/autes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 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 Li 3.00 6.94100 Li( 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 ) ( -0.4494709 ) 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) = ( 0.0083118 0.0144715 -0.0000000), wk = 0.0026738 k( 3) = ( 0.0166235 0.0289430 -0.0000000), wk = 0.0026738 k( 4) = ( 0.0249353 0.0434145 -0.0000000), wk = 0.0026738 k( 5) = ( 0.0332471 0.0578860 -0.0000000), wk = 0.0026738 k( 6) = ( 0.0415588 0.0723576 -0.0000000), wk = 0.0026738 k( 7) = ( 0.0498706 0.0868291 -0.0000000), wk = 0.0026738 k( 8) = ( 0.0581823 0.1013006 -0.0000000), wk = 0.0026738 k( 9) = ( 0.0664941 0.1157721 -0.0000000), wk = 0.0026738 k( 10) = ( 0.0748058 0.1302436 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0831176 0.1447151 -0.0000000), wk = 0.0026738 k( 12) = ( 0.0914294 0.1591866 -0.0000000), wk = 0.0026738 k( 13) = ( 0.0997411 0.1736581 -0.0000000), wk = 0.0026738 k( 14) = ( 0.1080529 0.1881296 -0.0000000), wk = 0.0026738 k( 15) = ( 0.1163647 0.2026011 -0.0000000), wk = 0.0026738 k( 16) = ( 0.1246764 0.2170727 -0.0000000), wk = 0.0026738 k( 17) = ( 0.1329882 0.2315442 -0.0000000), wk = 0.0026738 k( 18) = ( 0.1413000 0.2460157 -0.0000000), wk = 0.0026738 k( 19) = ( 0.1496117 0.2604872 -0.0000000), wk = 0.0026738 k( 20) = ( 0.1579235 0.2749587 -0.0000000), wk = 0.0026738 k( 21) = ( 0.1662352 0.2894302 -0.0000000), wk = 0.0026738 k( 22) = ( 0.1745470 0.3039017 -0.0000000), wk = 0.0026738 k( 23) = ( 0.1828587 0.3183732 -0.0000000), wk = 0.0026738 k( 24) = ( 0.1911705 0.3328447 -0.0000000), wk = 0.0026738 k( 25) = ( 0.1994823 0.3473163 -0.0000000), wk = 0.0026738 k( 26) = ( 0.2077940 0.3617878 -0.0000000), wk = 0.0026738 k( 27) = ( 0.2161058 0.3762593 -0.0000000), wk = 0.0026738 k( 28) = ( 0.2244176 0.3907308 -0.0000000), wk = 0.0026738 k( 29) = ( 0.2327293 0.4052023 -0.0000000), wk = 0.0026738 k( 30) = ( 0.2410411 0.4196738 -0.0000000), wk = 0.0026738 k( 31) = ( 0.2493528 0.4341453 -0.0000000), wk = 0.0026738 k( 32) = ( 0.2576646 0.4486168 -0.0000000), wk = 0.0026738 k( 33) = ( 0.2659764 0.4630883 -0.0000000), wk = 0.0026738 k( 34) = ( 0.2742881 0.4775599 -0.0000000), wk = 0.0026738 k( 35) = ( 0.2825999 0.4920314 -0.0000000), wk = 0.0026738 k( 36) = ( 0.2909117 0.5065029 -0.0000000), wk = 0.0026738 k( 37) = ( 0.2992234 0.5209744 -0.0000000), wk = 0.0026738 k( 38) = ( 0.3075352 0.5354459 -0.0000000), wk = 0.0026738 k( 39) = ( 0.3158469 0.5499174 -0.0000000), wk = 0.0026738 k( 40) = ( 0.3241587 0.5643889 -0.0000000), wk = 0.0026738 k( 41) = ( 0.3324705 0.5788604 -0.0000000), wk = 0.0026738 k( 42) = ( 0.3324705 0.5788604 -0.0000000), wk = 0.0026738 k( 43) = ( 0.3158469 0.5788604 -0.0000000), wk = 0.0026738 k( 44) = ( 0.2992234 0.5788604 -0.0000000), wk = 0.0026738 k( 45) = ( 0.2825999 0.5788604 -0.0000000), wk = 0.0026738 k( 46) = ( 0.2659764 0.5788604 -0.0000000), wk = 0.0026738 k( 47) = ( 0.2493528 0.5788604 -0.0000000), wk = 0.0026738 k( 48) = ( 0.2327293 0.5788604 -0.0000000), wk = 0.0026738 k( 49) = ( 0.2161058 0.5788604 -0.0000000), wk = 0.0026738 k( 50) = ( 0.1994823 0.5788604 -0.0000000), wk = 0.0026738 k( 51) = ( 0.1828587 0.5788604 -0.0000000), wk = 0.0026738 k( 52) = ( 0.1662352 0.5788604 -0.0000000), wk = 0.0026738 k( 53) = ( 0.1496117 0.5788604 -0.0000000), wk = 0.0026738 k( 54) = ( 0.1329882 0.5788604 -0.0000000), wk = 0.0026738 k( 55) = ( 0.1163647 0.5788604 -0.0000000), wk = 0.0026738 k( 56) = ( 0.0997411 0.5788604 -0.0000000), wk = 0.0026738 k( 57) = ( 0.0831176 0.5788604 -0.0000000), wk = 0.0026738 k( 58) = ( 0.0664941 0.5788604 -0.0000000), wk = 0.0026738 k( 59) = ( 0.0498706 0.5788604 -0.0000000), wk = 0.0026738 k( 60) = ( 0.0332471 0.5788604 -0.0000000), wk = 0.0026738 k( 61) = ( 0.0166235 0.5788604 -0.0000000), wk = 0.0026738 k( 62) = ( 0.0000000 0.5788604 -0.0000000), wk = 0.0026738 k( 63) = ( 0.0000000 0.5788604 -0.0000000), wk = 0.0026738 k( 64) = ( 0.0000000 0.5788604 0.0168548), wk = 0.0026738 k( 65) = ( 0.0000000 0.5788604 0.0337097), wk = 0.0026738 k( 66) = ( 0.0000000 0.5788604 0.0505645), wk = 0.0026738 k( 67) = ( 0.0000000 0.5788604 0.0674193), wk = 0.0026738 k( 68) = ( 0.0000000 0.5788604 0.0842742), wk = 0.0026738 k( 69) = ( 0.0000000 0.5788604 0.1011290), wk = 0.0026738 k( 70) = ( 0.0000000 0.5788604 0.1179838), wk = 0.0026738 k( 71) = ( 0.0000000 0.5788604 0.1348387), wk = 0.0026738 k( 72) = ( 0.0000000 0.5788604 0.1516935), wk = 0.0026738 k( 73) = ( 0.0000000 0.5788604 0.1685483), wk = 0.0026738 k( 74) = ( 0.0000000 0.5788604 0.1854032), wk = 0.0026738 k( 75) = ( 0.0000000 0.5788604 0.2022580), wk = 0.0026738 k( 76) = ( 0.0000000 0.5788604 0.2191128), wk = 0.0026738 k( 77) = ( 0.0000000 0.5788604 0.2359677), wk = 0.0026738 k( 78) = ( 0.0000000 0.5788604 0.2528225), wk = 0.0026738 k( 79) = ( 0.0000000 0.5788604 0.2696773), wk = 0.0026738 k( 80) = ( 0.0000000 0.5788604 0.2865322), wk = 0.0026738 k( 81) = ( 0.0000000 0.5788604 0.3033870), wk = 0.0026738 k( 82) = ( 0.0000000 0.5788604 0.3202418), wk = 0.0026738 k( 83) = ( 0.0000000 0.5788604 0.3370966), wk = 0.0026738 k( 84) = ( 0.0000000 0.5788604 0.3539515), wk = 0.0026738 k( 85) = ( 0.0000000 0.5788604 0.3708063), wk = 0.0026738 k( 86) = ( 0.0000000 0.5788604 0.3876612), wk = 0.0026738 k( 87) = ( 0.0000000 0.5788604 0.4045160), wk = 0.0026738 k( 88) = ( 0.0000000 0.5788604 0.4213708), wk = 0.0026738 k( 89) = ( 0.0000000 0.5788604 0.4382256), wk = 0.0026738 k( 90) = ( 0.0000000 0.5788604 0.4550805), wk = 0.0026738 k( 91) = ( 0.0000000 0.5788604 0.4719353), wk = 0.0026738 k( 92) = ( 0.0000000 0.5788604 0.4887901), wk = 0.0026738 k( 93) = ( 0.0000000 0.5788604 0.5056450), wk = 0.0026738 k( 94) = ( 0.0000000 0.5788604 0.5224998), wk = 0.0026738 k( 95) = ( 0.0000000 0.5788604 0.5393546), wk = 0.0026738 k( 96) = ( 0.0000000 0.5788604 0.5562095), wk = 0.0026738 k( 97) = ( 0.0000000 0.5788604 0.5562095), wk = 0.0026738 k( 98) = ( 0.0166235 0.5788604 0.5562095), wk = 0.0026738 k( 99) = ( 0.0332471 0.5788604 0.5562095), wk = 0.0026738 k( 100) = ( 0.0498706 0.5788604 0.5562095), wk = 0.0026738 k( 101) = ( 0.0664941 0.5788604 0.5562095), wk = 0.0026738 k( 102) = ( 0.0831176 0.5788604 0.5562095), wk = 0.0026738 k( 103) = ( 0.0997411 0.5788604 0.5562095), wk = 0.0026738 k( 104) = ( 0.1163647 0.5788604 0.5562095), wk = 0.0026738 k( 105) = ( 0.1329882 0.5788604 0.5562095), wk = 0.0026738 k( 106) = ( 0.1496117 0.5788604 0.5562095), wk = 0.0026738 k( 107) = ( 0.1662352 0.5788604 0.5562095), wk = 0.0026738 k( 108) = ( 0.1828587 0.5788604 0.5562095), wk = 0.0026738 k( 109) = ( 0.1994823 0.5788604 0.5562095), wk = 0.0026738 k( 110) = ( 0.2161058 0.5788604 0.5562095), wk = 0.0026738 k( 111) = ( 0.2327293 0.5788604 0.5562095), wk = 0.0026738 k( 112) = ( 0.2493528 0.5788604 0.5562095), wk = 0.0026738 k( 113) = ( 0.2659764 0.5788604 0.5562095), wk = 0.0026738 k( 114) = ( 0.2825999 0.5788604 0.5562095), wk = 0.0026738 k( 115) = ( 0.2992234 0.5788604 0.5562095), wk = 0.0026738 k( 116) = ( 0.3158469 0.5788604 0.5562095), wk = 0.0026738 k( 117) = ( 0.3324705 0.5788604 0.5562095), wk = 0.0026738 k( 118) = ( 0.3324705 0.5788604 0.5562095), wk = 0.0026738 k( 119) = ( 0.3241587 0.5643889 0.5562095), wk = 0.0026738 k( 120) = ( 0.3158469 0.5499174 0.5562095), wk = 0.0026738 k( 121) = ( 0.3075352 0.5354459 0.5562095), wk = 0.0026738 k( 122) = ( 0.2992234 0.5209744 0.5562095), wk = 0.0026738 k( 123) = ( 0.2909117 0.5065029 0.5562095), wk = 0.0026738 k( 124) = ( 0.2825999 0.4920314 0.5562095), wk = 0.0026738 k( 125) = ( 0.2742881 0.4775599 0.5562095), wk = 0.0026738 k( 126) = ( 0.2659764 0.4630883 0.5562095), wk = 0.0026738 k( 127) = ( 0.2576646 0.4486168 0.5562095), wk = 0.0026738 k( 128) = ( 0.2493528 0.4341453 0.5562095), wk = 0.0026738 k( 129) = ( 0.2410411 0.4196738 0.5562095), wk = 0.0026738 k( 130) = ( 0.2327293 0.4052023 0.5562095), wk = 0.0026738 k( 131) = ( 0.2244176 0.3907308 0.5562095), wk = 0.0026738 k( 132) = ( 0.2161058 0.3762593 0.5562095), wk = 0.0026738 k( 133) = ( 0.2077940 0.3617878 0.5562095), wk = 0.0026738 k( 134) = ( 0.1994823 0.3473163 0.5562095), wk = 0.0026738 k( 135) = ( 0.1911705 0.3328447 0.5562095), wk = 0.0026738 k( 136) = ( 0.1828587 0.3183732 0.5562095), wk = 0.0026738 k( 137) = ( 0.1745470 0.3039017 0.5562095), wk = 0.0026738 k( 138) = ( 0.1662352 0.2894302 0.5562095), wk = 0.0026738 k( 139) = ( 0.1579235 0.2749587 0.5562095), wk = 0.0026738 k( 140) = ( 0.1496117 0.2604872 0.5562095), wk = 0.0026738 k( 141) = ( 0.1413000 0.2460157 0.5562095), wk = 0.0026738 k( 142) = ( 0.1329882 0.2315442 0.5562095), wk = 0.0026738 k( 143) = ( 0.1246764 0.2170727 0.5562095), wk = 0.0026738 k( 144) = ( 0.1163647 0.2026011 0.5562095), wk = 0.0026738 k( 145) = ( 0.1080529 0.1881296 0.5562095), wk = 0.0026738 k( 146) = ( 0.0997411 0.1736581 0.5562095), wk = 0.0026738 k( 147) = ( 0.0914294 0.1591866 0.5562095), wk = 0.0026738 k( 148) = ( 0.0831176 0.1447151 0.5562095), wk = 0.0026738 k( 149) = ( 0.0748058 0.1302436 0.5562095), wk = 0.0026738 k( 150) = ( 0.0664941 0.1157721 0.5562095), wk = 0.0026738 k( 151) = ( 0.0581823 0.1013006 0.5562095), wk = 0.0026738 k( 152) = ( 0.0498706 0.0868291 0.5562095), wk = 0.0026738 k( 153) = ( 0.0415588 0.0723576 0.5562095), wk = 0.0026738 k( 154) = ( 0.0332471 0.0578860 0.5562095), wk = 0.0026738 k( 155) = ( 0.0249353 0.0434145 0.5562095), wk = 0.0026738 k( 156) = ( 0.0166235 0.0289430 0.5562095), wk = 0.0026738 k( 157) = ( 0.0083118 0.0144715 0.5562095), wk = 0.0026738 k( 158) = ( 0.0000000 0.0000000 0.5562095), wk = 0.0026738 k( 159) = ( 0.0000000 0.0000000 0.5562095), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.5393546), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.5224998), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.5056450), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.4887901), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.4719353), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.4550805), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.4382256), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.4213708), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.4045160), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.3876612), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.3708063), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.3539515), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.3370966), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.3202418), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.3033870), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.2865322), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.2696773), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.2528225), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.2359677), wk = 0.0026738 k( 179) = ( 0.0000000 0.0000000 0.2191128), wk = 0.0026738 k( 180) = ( 0.0000000 0.0000000 0.2022580), wk = 0.0026738 k( 181) = ( 0.0000000 0.0000000 0.1854032), wk = 0.0026738 k( 182) = ( 0.0000000 0.0000000 0.1685483), wk = 0.0026738 k( 183) = ( 0.0000000 0.0000000 0.1516935), wk = 0.0026738 k( 184) = ( 0.0000000 0.0000000 0.1348387), wk = 0.0026738 k( 185) = ( 0.0000000 0.0000000 0.1179838), wk = 0.0026738 k( 186) = ( 0.0000000 0.0000000 0.1011290), wk = 0.0026738 k( 187) = ( 0.0000000 0.0000000 0.0842742), wk = 0.0026738 k( 188) = ( 0.0000000 0.0000000 0.0674193), wk = 0.0026738 k( 189) = ( 0.0000000 0.0000000 0.0505645), wk = 0.0026738 k( 190) = ( 0.0000000 0.0000000 0.0337097), wk = 0.0026738 k( 191) = ( 0.0000000 0.0000000 0.0168548), wk = 0.0026738 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 194) = ( -0.0142857 0.0082050 -0.0000000), wk = 0.0026738 k( 195) = ( -0.0285714 0.0164101 -0.0000000), wk = 0.0026738 k( 196) = ( -0.0428571 0.0246151 -0.0000000), wk = 0.0026738 k( 197) = ( -0.0571429 0.0328202 -0.0000000), wk = 0.0026738 k( 198) = ( -0.0714286 0.0410252 -0.0000000), wk = 0.0026738 k( 199) = ( -0.0857143 0.0492303 -0.0000000), wk = 0.0026738 k( 200) = ( -0.1000000 0.0574353 -0.0000000), wk = 0.0026738 k( 201) = ( -0.1142857 0.0656404 -0.0000000), wk = 0.0026738 k( 202) = ( -0.1285714 0.0738454 -0.0000000), wk = 0.0026738 k( 203) = ( -0.1428571 0.0820505 -0.0000000), wk = 0.0026738 k( 204) = ( -0.1571429 0.0902555 -0.0000000), wk = 0.0026738 k( 205) = ( -0.1714286 0.0984606 -0.0000000), wk = 0.0026738 k( 206) = ( -0.1857143 0.1066656 -0.0000000), wk = 0.0026738 k( 207) = ( -0.2000000 0.1148707 -0.0000000), wk = 0.0026738 k( 208) = ( -0.2142857 0.1230757 -0.0000000), wk = 0.0026738 k( 209) = ( -0.2285714 0.1312808 -0.0000000), wk = 0.0026738 k( 210) = ( -0.2428571 0.1394858 -0.0000000), wk = 0.0026738 k( 211) = ( -0.2571429 0.1476909 -0.0000000), wk = 0.0026738 k( 212) = ( -0.2714286 0.1558959 -0.0000000), wk = 0.0026738 k( 213) = ( -0.2857143 0.1641010 -0.0000000), wk = 0.0026738 k( 214) = ( -0.3000000 0.1723060 -0.0000000), wk = 0.0026738 k( 215) = ( -0.3142857 0.1805111 -0.0000000), wk = 0.0026738 k( 216) = ( -0.3285714 0.1887161 -0.0000000), wk = 0.0026738 k( 217) = ( -0.3428571 0.1969212 -0.0000000), wk = 0.0026738 k( 218) = ( -0.3571429 0.2051262 -0.0000000), wk = 0.0026738 k( 219) = ( -0.3714286 0.2133313 -0.0000000), wk = 0.0026738 k( 220) = ( -0.3857143 0.2215363 -0.0000000), wk = 0.0026738 k( 221) = ( -0.4000000 0.2297414 -0.0000000), wk = 0.0026738 k( 222) = ( -0.4142857 0.2379464 -0.0000000), wk = 0.0026738 k( 223) = ( -0.4285714 0.2461515 -0.0000000), wk = 0.0026738 k( 224) = ( -0.4428571 0.2543565 -0.0000000), wk = 0.0026738 k( 225) = ( -0.4571429 0.2625616 -0.0000000), wk = 0.0026738 k( 226) = ( -0.4714286 0.2707666 -0.0000000), wk = 0.0026738 k( 227) = ( -0.4857143 0.2789717 -0.0000000), wk = 0.0026738 k( 228) = ( -0.5000000 0.2871767 -0.0000000), wk = 0.0026738 k( 229) = ( -0.5000000 0.2871767 -0.0000000), wk = 0.0026738 k( 230) = ( -0.4916235 0.3017609 -0.0000000), wk = 0.0026738 k( 231) = ( -0.4832471 0.3163451 -0.0000000), wk = 0.0026738 k( 232) = ( -0.4748706 0.3309293 -0.0000000), wk = 0.0026738 k( 233) = ( -0.4664941 0.3455135 -0.0000000), wk = 0.0026738 k( 234) = ( -0.4581176 0.3600976 -0.0000000), wk = 0.0026738 k( 235) = ( -0.4497411 0.3746818 -0.0000000), wk = 0.0026738 k( 236) = ( -0.4413647 0.3892660 -0.0000000), wk = 0.0026738 k( 237) = ( -0.4329882 0.4038502 -0.0000000), wk = 0.0026738 k( 238) = ( -0.4246117 0.4184344 -0.0000000), wk = 0.0026738 k( 239) = ( -0.4162352 0.4330186 -0.0000000), wk = 0.0026738 k( 240) = ( -0.4078587 0.4476028 -0.0000000), wk = 0.0026738 k( 241) = ( -0.3994823 0.4621869 -0.0000000), wk = 0.0026738 k( 242) = ( -0.3911058 0.4767711 -0.0000000), wk = 0.0026738 k( 243) = ( -0.3827293 0.4913553 -0.0000000), wk = 0.0026738 k( 244) = ( -0.3743529 0.5059395 -0.0000000), wk = 0.0026738 k( 245) = ( -0.3659764 0.5205237 -0.0000000), wk = 0.0026738 k( 246) = ( -0.3575999 0.5351079 -0.0000000), wk = 0.0026738 k( 247) = ( -0.3492234 0.5496921 -0.0000000), wk = 0.0026738 k( 248) = ( -0.3408469 0.5642762 -0.0000000), wk = 0.0026738 k( 249) = ( -0.3324705 0.5788604 -0.0000000), wk = 0.0026738 k( 250) = ( -0.3324705 0.5788604 -0.0000000), wk = 0.0026738 k( 251) = ( -0.3324705 0.5788604 0.0168548), wk = 0.0026738 k( 252) = ( -0.3324705 0.5788604 0.0337097), wk = 0.0026738 k( 253) = ( -0.3324705 0.5788604 0.0505645), wk = 0.0026738 k( 254) = ( -0.3324705 0.5788604 0.0674193), wk = 0.0026738 k( 255) = ( -0.3324705 0.5788604 0.0842742), wk = 0.0026738 k( 256) = ( -0.3324705 0.5788604 0.1011290), wk = 0.0026738 k( 257) = ( -0.3324705 0.5788604 0.1179838), wk = 0.0026738 k( 258) = ( -0.3324705 0.5788604 0.1348387), wk = 0.0026738 k( 259) = ( -0.3324705 0.5788604 0.1516935), wk = 0.0026738 k( 260) = ( -0.3324705 0.5788604 0.1685483), wk = 0.0026738 k( 261) = ( -0.3324705 0.5788604 0.1854032), wk = 0.0026738 k( 262) = ( -0.3324705 0.5788604 0.2022580), wk = 0.0026738 k( 263) = ( -0.3324705 0.5788604 0.2191128), wk = 0.0026738 k( 264) = ( -0.3324705 0.5788604 0.2359677), wk = 0.0026738 k( 265) = ( -0.3324705 0.5788604 0.2528225), wk = 0.0026738 k( 266) = ( -0.3324705 0.5788604 0.2696773), wk = 0.0026738 k( 267) = ( -0.3324705 0.5788604 0.2865322), wk = 0.0026738 k( 268) = ( -0.3324705 0.5788604 0.3033870), wk = 0.0026738 k( 269) = ( -0.3324705 0.5788604 0.3202418), wk = 0.0026738 k( 270) = ( -0.3324705 0.5788604 0.3370966), wk = 0.0026738 k( 271) = ( -0.3324705 0.5788604 0.3539515), wk = 0.0026738 k( 272) = ( -0.3324705 0.5788604 0.3708063), wk = 0.0026738 k( 273) = ( -0.3324705 0.5788604 0.3876612), wk = 0.0026738 k( 274) = ( -0.3324705 0.5788604 0.4045160), wk = 0.0026738 k( 275) = ( -0.3324705 0.5788604 0.4213708), wk = 0.0026738 k( 276) = ( -0.3324705 0.5788604 0.4382256), wk = 0.0026738 k( 277) = ( -0.3324705 0.5788604 0.4550805), wk = 0.0026738 k( 278) = ( -0.3324705 0.5788604 0.4719353), wk = 0.0026738 k( 279) = ( -0.3324705 0.5788604 0.4887901), wk = 0.0026738 k( 280) = ( -0.3324705 0.5788604 0.5056450), wk = 0.0026738 k( 281) = ( -0.3324705 0.5788604 0.5224998), wk = 0.0026738 k( 282) = ( -0.3324705 0.5788604 0.5393546), wk = 0.0026738 k( 283) = ( -0.3324705 0.5788604 0.5562095), wk = 0.0026738 k( 284) = ( -0.3324705 0.5788604 0.5562095), wk = 0.0026738 k( 285) = ( -0.3408469 0.5642762 0.5562095), wk = 0.0026738 k( 286) = ( -0.3492234 0.5496921 0.5562095), wk = 0.0026738 k( 287) = ( -0.3575999 0.5351079 0.5562095), wk = 0.0026738 k( 288) = ( -0.3659764 0.5205237 0.5562095), wk = 0.0026738 k( 289) = ( -0.3743529 0.5059395 0.5562095), wk = 0.0026738 k( 290) = ( -0.3827293 0.4913553 0.5562095), wk = 0.0026738 k( 291) = ( -0.3911058 0.4767711 0.5562095), wk = 0.0026738 k( 292) = ( -0.3994823 0.4621869 0.5562095), wk = 0.0026738 k( 293) = ( -0.4078587 0.4476028 0.5562095), wk = 0.0026738 k( 294) = ( -0.4162352 0.4330186 0.5562095), wk = 0.0026738 k( 295) = ( -0.4246117 0.4184344 0.5562095), wk = 0.0026738 k( 296) = ( -0.4329882 0.4038502 0.5562095), wk = 0.0026738 k( 297) = ( -0.4413647 0.3892660 0.5562095), wk = 0.0026738 k( 298) = ( -0.4497411 0.3746818 0.5562095), wk = 0.0026738 k( 299) = ( -0.4581176 0.3600976 0.5562095), wk = 0.0026738 k( 300) = ( -0.4664941 0.3455135 0.5562095), wk = 0.0026738 k( 301) = ( -0.4748706 0.3309293 0.5562095), wk = 0.0026738 k( 302) = ( -0.4832471 0.3163451 0.5562095), wk = 0.0026738 k( 303) = ( -0.4916235 0.3017609 0.5562095), wk = 0.0026738 k( 304) = ( -0.5000000 0.2871767 0.5562095), wk = 0.0026738 k( 305) = ( -0.5000000 0.2871767 0.5562095), wk = 0.0026738 k( 306) = ( -0.5000000 0.2871767 0.5393546), wk = 0.0026738 k( 307) = ( -0.5000000 0.2871767 0.5224998), wk = 0.0026738 k( 308) = ( -0.5000000 0.2871767 0.5056450), wk = 0.0026738 k( 309) = ( -0.5000000 0.2871767 0.4887901), wk = 0.0026738 k( 310) = ( -0.5000000 0.2871767 0.4719353), wk = 0.0026738 k( 311) = ( -0.5000000 0.2871767 0.4550805), wk = 0.0026738 k( 312) = ( -0.5000000 0.2871767 0.4382256), wk = 0.0026738 k( 313) = ( -0.5000000 0.2871767 0.4213708), wk = 0.0026738 k( 314) = ( -0.5000000 0.2871767 0.4045160), wk = 0.0026738 k( 315) = ( -0.5000000 0.2871767 0.3876612), wk = 0.0026738 k( 316) = ( -0.5000000 0.2871767 0.3708063), wk = 0.0026738 k( 317) = ( -0.5000000 0.2871767 0.3539515), wk = 0.0026738 k( 318) = ( -0.5000000 0.2871767 0.3370966), wk = 0.0026738 k( 319) = ( -0.5000000 0.2871767 0.3202418), wk = 0.0026738 k( 320) = ( -0.5000000 0.2871767 0.3033870), wk = 0.0026738 k( 321) = ( -0.5000000 0.2871767 0.2865322), wk = 0.0026738 k( 322) = ( -0.5000000 0.2871767 0.2696773), wk = 0.0026738 k( 323) = ( -0.5000000 0.2871767 0.2528225), wk = 0.0026738 k( 324) = ( -0.5000000 0.2871767 0.2359677), wk = 0.0026738 k( 325) = ( -0.5000000 0.2871767 0.2191128), wk = 0.0026738 k( 326) = ( -0.5000000 0.2871767 0.2022580), wk = 0.0026738 k( 327) = ( -0.5000000 0.2871767 0.1854032), wk = 0.0026738 k( 328) = ( -0.5000000 0.2871767 0.1685483), wk = 0.0026738 k( 329) = ( -0.5000000 0.2871767 0.1516935), wk = 0.0026738 k( 330) = ( -0.5000000 0.2871767 0.1348387), wk = 0.0026738 k( 331) = ( -0.5000000 0.2871767 0.1179838), wk = 0.0026738 k( 332) = ( -0.5000000 0.2871767 0.1011290), wk = 0.0026738 k( 333) = ( -0.5000000 0.2871767 0.0842742), wk = 0.0026738 k( 334) = ( -0.5000000 0.2871767 0.0674193), wk = 0.0026738 k( 335) = ( -0.5000000 0.2871767 0.0505645), wk = 0.0026738 k( 336) = ( -0.5000000 0.2871767 0.0337097), wk = 0.0026738 k( 337) = ( -0.5000000 0.2871767 0.0168548), wk = 0.0026738 k( 338) = ( -0.5000000 0.2871767 -0.0000000), wk = 0.0026738 k( 339) = ( 0.0000000 0.0000000 0.5562095), wk = 0.0026738 k( 340) = ( -0.0142857 0.0082050 0.5562095), wk = 0.0026738 k( 341) = ( -0.0285714 0.0164101 0.5562095), wk = 0.0026738 k( 342) = ( -0.0428571 0.0246151 0.5562095), wk = 0.0026738 k( 343) = ( -0.0571429 0.0328202 0.5562095), wk = 0.0026738 k( 344) = ( -0.0714286 0.0410252 0.5562095), wk = 0.0026738 k( 345) = ( -0.0857143 0.0492303 0.5562095), wk = 0.0026738 k( 346) = ( -0.1000000 0.0574353 0.5562095), wk = 0.0026738 k( 347) = ( -0.1142857 0.0656404 0.5562095), wk = 0.0026738 k( 348) = ( -0.1285714 0.0738454 0.5562095), wk = 0.0026738 k( 349) = ( -0.1428571 0.0820505 0.5562095), wk = 0.0026738 k( 350) = ( -0.1571429 0.0902555 0.5562095), wk = 0.0026738 k( 351) = ( -0.1714286 0.0984606 0.5562095), wk = 0.0026738 k( 352) = ( -0.1857143 0.1066656 0.5562095), wk = 0.0026738 k( 353) = ( -0.2000000 0.1148707 0.5562095), wk = 0.0026738 k( 354) = ( -0.2142857 0.1230757 0.5562095), wk = 0.0026738 k( 355) = ( -0.2285714 0.1312808 0.5562095), wk = 0.0026738 k( 356) = ( -0.2428571 0.1394858 0.5562095), wk = 0.0026738 k( 357) = ( -0.2571429 0.1476909 0.5562095), wk = 0.0026738 k( 358) = ( -0.2714286 0.1558959 0.5562095), wk = 0.0026738 k( 359) = ( -0.2857143 0.1641010 0.5562095), wk = 0.0026738 k( 360) = ( -0.3000000 0.1723060 0.5562095), wk = 0.0026738 k( 361) = ( -0.3142857 0.1805111 0.5562095), wk = 0.0026738 k( 362) = ( -0.3285714 0.1887161 0.5562095), wk = 0.0026738 k( 363) = ( -0.3428571 0.1969212 0.5562095), wk = 0.0026738 k( 364) = ( -0.3571429 0.2051262 0.5562095), wk = 0.0026738 k( 365) = ( -0.3714286 0.2133313 0.5562095), wk = 0.0026738 k( 366) = ( -0.3857143 0.2215363 0.5562095), wk = 0.0026738 k( 367) = ( -0.4000000 0.2297414 0.5562095), wk = 0.0026738 k( 368) = ( -0.4142857 0.2379464 0.5562095), wk = 0.0026738 k( 369) = ( -0.4285714 0.2461515 0.5562095), wk = 0.0026738 k( 370) = ( -0.4428571 0.2543565 0.5562095), wk = 0.0026738 k( 371) = ( -0.4571429 0.2625616 0.5562095), wk = 0.0026738 k( 372) = ( -0.4714286 0.2707666 0.5562095), wk = 0.0026738 k( 373) = ( -0.4857143 0.2789717 0.5562095), wk = 0.0026738 k( 374) = ( -0.5000000 0.2871767 0.5562095), wk = 0.0026738 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0083118 0.0083118 -0.0000000), wk = 0.0026738 k( 3) = ( 0.0166235 0.0166235 -0.0000000), wk = 0.0026738 k( 4) = ( 0.0249353 0.0249353 -0.0000000), wk = 0.0026738 k( 5) = ( 0.0332471 0.0332471 0.0000000), wk = 0.0026738 k( 6) = ( 0.0415588 0.0415588 0.0000000), wk = 0.0026738 k( 7) = ( 0.0498706 0.0498706 0.0000000), wk = 0.0026738 k( 8) = ( 0.0581823 0.0581823 0.0000000), wk = 0.0026738 k( 9) = ( 0.0664941 0.0664941 0.0000000), wk = 0.0026738 k( 10) = ( 0.0748058 0.0748059 0.0000000), wk = 0.0026738 k( 11) = ( 0.0831176 0.0831176 0.0000000), wk = 0.0026738 k( 12) = ( 0.0914294 0.0914294 0.0000000), wk = 0.0026738 k( 13) = ( 0.0997411 0.0997411 0.0000000), wk = 0.0026738 k( 14) = ( 0.1080529 0.1080529 0.0000000), wk = 0.0026738 k( 15) = ( 0.1163647 0.1163647 0.0000000), wk = 0.0026738 k( 16) = ( 0.1246764 0.1246764 0.0000000), wk = 0.0026738 k( 17) = ( 0.1329882 0.1329882 0.0000000), wk = 0.0026738 k( 18) = ( 0.1413000 0.1413000 -0.0000000), wk = 0.0026738 k( 19) = ( 0.1496117 0.1496117 -0.0000000), wk = 0.0026738 k( 20) = ( 0.1579235 0.1579235 0.0000000), wk = 0.0026738 k( 21) = ( 0.1662352 0.1662352 0.0000000), wk = 0.0026738 k( 22) = ( 0.1745470 0.1745470 0.0000000), wk = 0.0026738 k( 23) = ( 0.1828587 0.1828587 -0.0000000), wk = 0.0026738 k( 24) = ( 0.1911705 0.1911705 0.0000000), wk = 0.0026738 k( 25) = ( 0.1994823 0.1994823 0.0000000), wk = 0.0026738 k( 26) = ( 0.2077940 0.2077940 0.0000000), wk = 0.0026738 k( 27) = ( 0.2161058 0.2161058 0.0000000), wk = 0.0026738 k( 28) = ( 0.2244176 0.2244176 -0.0000000), wk = 0.0026738 k( 29) = ( 0.2327293 0.2327293 0.0000000), wk = 0.0026738 k( 30) = ( 0.2410411 0.2410411 0.0000000), wk = 0.0026738 k( 31) = ( 0.2493528 0.2493528 -0.0000000), wk = 0.0026738 k( 32) = ( 0.2576646 0.2576646 0.0000000), wk = 0.0026738 k( 33) = ( 0.2659764 0.2659764 0.0000000), wk = 0.0026738 k( 34) = ( 0.2742881 0.2742881 0.0000000), wk = 0.0026738 k( 35) = ( 0.2825999 0.2825999 0.0000000), wk = 0.0026738 k( 36) = ( 0.2909117 0.2909117 0.0000000), wk = 0.0026738 k( 37) = ( 0.2992234 0.2992234 0.0000000), wk = 0.0026738 k( 38) = ( 0.3075352 0.3075352 0.0000000), wk = 0.0026738 k( 39) = ( 0.3158469 0.3158469 0.0000000), wk = 0.0026738 k( 40) = ( 0.3241587 0.3241587 -0.0000000), wk = 0.0026738 k( 41) = ( 0.3324705 0.3324705 0.0000000), wk = 0.0026738 k( 42) = ( 0.3324705 0.3324705 0.0000000), wk = 0.0026738 k( 43) = ( 0.3158469 0.3408469 0.0000000), wk = 0.0026738 k( 44) = ( 0.2992234 0.3492234 0.0000000), wk = 0.0026738 k( 45) = ( 0.2825999 0.3575999 0.0000000), wk = 0.0026738 k( 46) = ( 0.2659764 0.3659764 -0.0000000), wk = 0.0026738 k( 47) = ( 0.2493528 0.3743529 0.0000000), wk = 0.0026738 k( 48) = ( 0.2327293 0.3827293 0.0000000), wk = 0.0026738 k( 49) = ( 0.2161058 0.3911058 0.0000000), wk = 0.0026738 k( 50) = ( 0.1994823 0.3994823 0.0000000), wk = 0.0026738 k( 51) = ( 0.1828587 0.4078588 -0.0000000), wk = 0.0026738 k( 52) = ( 0.1662352 0.4162352 0.0000000), wk = 0.0026738 k( 53) = ( 0.1496117 0.4246117 -0.0000000), wk = 0.0026738 k( 54) = ( 0.1329882 0.4329882 0.0000000), wk = 0.0026738 k( 55) = ( 0.1163647 0.4413647 0.0000000), wk = 0.0026738 k( 56) = ( 0.0997411 0.4497411 0.0000000), wk = 0.0026738 k( 57) = ( 0.0831176 0.4581176 0.0000000), wk = 0.0026738 k( 58) = ( 0.0664941 0.4664941 0.0000000), wk = 0.0026738 k( 59) = ( 0.0498706 0.4748706 -0.0000000), wk = 0.0026738 k( 60) = ( 0.0332471 0.4832471 -0.0000000), wk = 0.0026738 k( 61) = ( 0.0166235 0.4916235 0.0000000), wk = 0.0026738 k( 62) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026738 k( 63) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026738 k( 64) = ( 0.0000000 0.5000000 0.0151515), wk = 0.0026738 k( 65) = ( 0.0000000 0.5000000 0.0303030), wk = 0.0026738 k( 66) = ( 0.0000000 0.5000000 0.0454545), wk = 0.0026738 k( 67) = ( 0.0000000 0.5000000 0.0606061), wk = 0.0026738 k( 68) = ( 0.0000000 0.5000000 0.0757576), wk = 0.0026738 k( 69) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0026738 k( 70) = ( 0.0000000 0.5000000 0.1060606), wk = 0.0026738 k( 71) = ( 0.0000000 0.5000000 0.1212121), wk = 0.0026738 k( 72) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0026738 k( 73) = ( 0.0000000 0.5000000 0.1515151), wk = 0.0026738 k( 74) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0026738 k( 75) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0026738 k( 76) = ( 0.0000000 0.5000000 0.1969697), wk = 0.0026738 k( 77) = ( 0.0000000 0.5000000 0.2121212), wk = 0.0026738 k( 78) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0026738 k( 79) = ( 0.0000000 0.5000000 0.2424242), wk = 0.0026738 k( 80) = ( 0.0000000 0.5000000 0.2575758), wk = 0.0026738 k( 81) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0026738 k( 82) = ( 0.0000000 0.5000000 0.2878788), wk = 0.0026738 k( 83) = ( 0.0000000 0.5000000 0.3030303), wk = 0.0026738 k( 84) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0026738 k( 85) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0026738 k( 86) = ( 0.0000000 0.5000000 0.3484849), wk = 0.0026738 k( 87) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0026738 k( 88) = ( 0.0000000 0.5000000 0.3787879), wk = 0.0026738 k( 89) = ( 0.0000000 0.5000000 0.3939394), wk = 0.0026738 k( 90) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0026738 k( 91) = ( 0.0000000 0.5000000 0.4242424), wk = 0.0026738 k( 92) = ( 0.0000000 0.5000000 0.4393939), wk = 0.0026738 k( 93) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0026738 k( 94) = ( 0.0000000 0.5000000 0.4696970), wk = 0.0026738 k( 95) = ( 0.0000000 0.5000000 0.4848485), wk = 0.0026738 k( 96) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026738 k( 97) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026738 k( 98) = ( 0.0166235 0.4916235 0.5000000), wk = 0.0026738 k( 99) = ( 0.0332471 0.4832471 0.5000000), wk = 0.0026738 k( 100) = ( 0.0498706 0.4748706 0.5000000), wk = 0.0026738 k( 101) = ( 0.0664941 0.4664941 0.5000000), wk = 0.0026738 k( 102) = ( 0.0831176 0.4581176 0.5000000), wk = 0.0026738 k( 103) = ( 0.0997411 0.4497411 0.5000000), wk = 0.0026738 k( 104) = ( 0.1163647 0.4413647 0.5000000), wk = 0.0026738 k( 105) = ( 0.1329882 0.4329882 0.5000000), wk = 0.0026738 k( 106) = ( 0.1496117 0.4246117 0.5000000), wk = 0.0026738 k( 107) = ( 0.1662352 0.4162352 0.5000000), wk = 0.0026738 k( 108) = ( 0.1828587 0.4078588 0.5000000), wk = 0.0026738 k( 109) = ( 0.1994823 0.3994823 0.5000000), wk = 0.0026738 k( 110) = ( 0.2161058 0.3911058 0.5000000), wk = 0.0026738 k( 111) = ( 0.2327293 0.3827293 0.5000000), wk = 0.0026738 k( 112) = ( 0.2493528 0.3743529 0.5000000), wk = 0.0026738 k( 113) = ( 0.2659764 0.3659764 0.5000000), wk = 0.0026738 k( 114) = ( 0.2825999 0.3575999 0.5000000), wk = 0.0026738 k( 115) = ( 0.2992234 0.3492234 0.5000000), wk = 0.0026738 k( 116) = ( 0.3158469 0.3408469 0.5000000), wk = 0.0026738 k( 117) = ( 0.3324705 0.3324705 0.5000000), wk = 0.0026738 k( 118) = ( 0.3324705 0.3324705 0.5000000), wk = 0.0026738 k( 119) = ( 0.3241587 0.3241587 0.5000000), wk = 0.0026738 k( 120) = ( 0.3158469 0.3158469 0.5000000), wk = 0.0026738 k( 121) = ( 0.3075352 0.3075352 0.5000000), wk = 0.0026738 k( 122) = ( 0.2992234 0.2992234 0.5000000), wk = 0.0026738 k( 123) = ( 0.2909117 0.2909117 0.5000000), wk = 0.0026738 k( 124) = ( 0.2825999 0.2825999 0.5000000), wk = 0.0026738 k( 125) = ( 0.2742881 0.2742881 0.5000000), wk = 0.0026738 k( 126) = ( 0.2659764 0.2659764 0.5000000), wk = 0.0026738 k( 127) = ( 0.2576646 0.2576646 0.5000000), wk = 0.0026738 k( 128) = ( 0.2493528 0.2493528 0.5000000), wk = 0.0026738 k( 129) = ( 0.2410411 0.2410411 0.5000000), wk = 0.0026738 k( 130) = ( 0.2327293 0.2327293 0.5000000), wk = 0.0026738 k( 131) = ( 0.2244176 0.2244176 0.5000000), wk = 0.0026738 k( 132) = ( 0.2161058 0.2161058 0.5000000), wk = 0.0026738 k( 133) = ( 0.2077940 0.2077940 0.5000000), wk = 0.0026738 k( 134) = ( 0.1994823 0.1994823 0.5000000), wk = 0.0026738 k( 135) = ( 0.1911705 0.1911705 0.5000000), wk = 0.0026738 k( 136) = ( 0.1828587 0.1828587 0.5000000), wk = 0.0026738 k( 137) = ( 0.1745470 0.1745470 0.5000000), wk = 0.0026738 k( 138) = ( 0.1662352 0.1662352 0.5000000), wk = 0.0026738 k( 139) = ( 0.1579235 0.1579235 0.5000000), wk = 0.0026738 k( 140) = ( 0.1496117 0.1496117 0.5000000), wk = 0.0026738 k( 141) = ( 0.1413000 0.1413000 0.5000000), wk = 0.0026738 k( 142) = ( 0.1329882 0.1329882 0.5000000), wk = 0.0026738 k( 143) = ( 0.1246764 0.1246764 0.5000000), wk = 0.0026738 k( 144) = ( 0.1163647 0.1163647 0.5000000), wk = 0.0026738 k( 145) = ( 0.1080529 0.1080529 0.5000000), wk = 0.0026738 k( 146) = ( 0.0997411 0.0997411 0.5000000), wk = 0.0026738 k( 147) = ( 0.0914294 0.0914294 0.5000000), wk = 0.0026738 k( 148) = ( 0.0831176 0.0831176 0.5000000), wk = 0.0026738 k( 149) = ( 0.0748058 0.0748059 0.5000000), wk = 0.0026738 k( 150) = ( 0.0664941 0.0664941 0.5000000), wk = 0.0026738 k( 151) = ( 0.0581823 0.0581823 0.5000000), wk = 0.0026738 k( 152) = ( 0.0498706 0.0498706 0.5000000), wk = 0.0026738 k( 153) = ( 0.0415588 0.0415588 0.5000000), wk = 0.0026738 k( 154) = ( 0.0332471 0.0332471 0.5000000), wk = 0.0026738 k( 155) = ( 0.0249353 0.0249353 0.5000000), wk = 0.0026738 k( 156) = ( 0.0166235 0.0166235 0.5000000), wk = 0.0026738 k( 157) = ( 0.0083118 0.0083118 0.5000000), wk = 0.0026738 k( 158) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 159) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.3484848), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0026738 k( 179) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0026738 k( 180) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0026738 k( 181) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026738 k( 182) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0026738 k( 183) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0026738 k( 184) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0026738 k( 185) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0026738 k( 186) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0026738 k( 187) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0026738 k( 188) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0026738 k( 189) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0026738 k( 190) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0026738 k( 191) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0026738 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 194) = ( -0.0142857 0.0142857 0.0000000), wk = 0.0026738 k( 195) = ( -0.0285714 0.0285714 0.0000000), wk = 0.0026738 k( 196) = ( -0.0428571 0.0428571 0.0000000), wk = 0.0026738 k( 197) = ( -0.0571429 0.0571429 0.0000000), wk = 0.0026738 k( 198) = ( -0.0714286 0.0714286 0.0000000), wk = 0.0026738 k( 199) = ( -0.0857143 0.0857143 0.0000000), wk = 0.0026738 k( 200) = ( -0.1000000 0.1000000 0.0000000), wk = 0.0026738 k( 201) = ( -0.1142857 0.1142857 0.0000000), wk = 0.0026738 k( 202) = ( -0.1285714 0.1285714 0.0000000), wk = 0.0026738 k( 203) = ( -0.1428571 0.1428571 0.0000000), wk = 0.0026738 k( 204) = ( -0.1571429 0.1571429 -0.0000000), wk = 0.0026738 k( 205) = ( -0.1714286 0.1714286 0.0000000), wk = 0.0026738 k( 206) = ( -0.1857143 0.1857143 0.0000000), wk = 0.0026738 k( 207) = ( -0.2000000 0.2000000 0.0000000), wk = 0.0026738 k( 208) = ( -0.2142857 0.2142857 0.0000000), wk = 0.0026738 k( 209) = ( -0.2285714 0.2285714 0.0000000), wk = 0.0026738 k( 210) = ( -0.2428571 0.2428571 0.0000000), wk = 0.0026738 k( 211) = ( -0.2571429 0.2571429 0.0000000), wk = 0.0026738 k( 212) = ( -0.2714286 0.2714286 0.0000000), wk = 0.0026738 k( 213) = ( -0.2857143 0.2857143 0.0000000), wk = 0.0026738 k( 214) = ( -0.3000000 0.3000000 0.0000000), wk = 0.0026738 k( 215) = ( -0.3142857 0.3142857 0.0000000), wk = 0.0026738 k( 216) = ( -0.3285714 0.3285714 0.0000000), wk = 0.0026738 k( 217) = ( -0.3428571 0.3428571 0.0000000), wk = 0.0026738 k( 218) = ( -0.3571429 0.3571429 -0.0000000), wk = 0.0026738 k( 219) = ( -0.3714286 0.3714286 0.0000000), wk = 0.0026738 k( 220) = ( -0.3857143 0.3857143 -0.0000000), wk = 0.0026738 k( 221) = ( -0.4000000 0.4000000 0.0000000), wk = 0.0026738 k( 222) = ( -0.4142857 0.4142857 0.0000000), wk = 0.0026738 k( 223) = ( -0.4285714 0.4285714 0.0000000), wk = 0.0026738 k( 224) = ( -0.4428571 0.4428571 0.0000000), wk = 0.0026738 k( 225) = ( -0.4571429 0.4571429 0.0000000), wk = 0.0026738 k( 226) = ( -0.4714286 0.4714286 0.0000000), wk = 0.0026738 k( 227) = ( -0.4857143 0.4857143 0.0000000), wk = 0.0026738 k( 228) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026738 k( 229) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026738 k( 230) = ( -0.4916235 0.5083765 0.0000000), wk = 0.0026738 k( 231) = ( -0.4832471 0.5167529 0.0000000), wk = 0.0026738 k( 232) = ( -0.4748706 0.5251294 0.0000000), wk = 0.0026738 k( 233) = ( -0.4664941 0.5335059 0.0000000), wk = 0.0026738 k( 234) = ( -0.4581176 0.5418824 0.0000000), wk = 0.0026738 k( 235) = ( -0.4497411 0.5502589 -0.0000000), wk = 0.0026738 k( 236) = ( -0.4413647 0.5586353 0.0000000), wk = 0.0026738 k( 237) = ( -0.4329882 0.5670118 0.0000000), wk = 0.0026738 k( 238) = ( -0.4246117 0.5753883 0.0000000), wk = 0.0026738 k( 239) = ( -0.4162352 0.5837648 0.0000000), wk = 0.0026738 k( 240) = ( -0.4078587 0.5921413 -0.0000000), wk = 0.0026738 k( 241) = ( -0.3994823 0.6005177 0.0000000), wk = 0.0026738 k( 242) = ( -0.3911058 0.6088942 0.0000000), wk = 0.0026738 k( 243) = ( -0.3827293 0.6172707 0.0000000), wk = 0.0026738 k( 244) = ( -0.3743529 0.6256472 0.0000000), wk = 0.0026738 k( 245) = ( -0.3659764 0.6340236 0.0000000), wk = 0.0026738 k( 246) = ( -0.3575999 0.6424001 0.0000000), wk = 0.0026738 k( 247) = ( -0.3492234 0.6507766 0.0000000), wk = 0.0026738 k( 248) = ( -0.3408469 0.6591531 0.0000000), wk = 0.0026738 k( 249) = ( -0.3324705 0.6675295 0.0000000), wk = 0.0026738 k( 250) = ( -0.3324705 0.6675295 0.0000000), wk = 0.0026738 k( 251) = ( -0.3324705 0.6675295 0.0151515), wk = 0.0026738 k( 252) = ( -0.3324705 0.6675295 0.0303030), wk = 0.0026738 k( 253) = ( -0.3324705 0.6675295 0.0454546), wk = 0.0026738 k( 254) = ( -0.3324705 0.6675295 0.0606061), wk = 0.0026738 k( 255) = ( -0.3324705 0.6675295 0.0757576), wk = 0.0026738 k( 256) = ( -0.3324705 0.6675295 0.0909091), wk = 0.0026738 k( 257) = ( -0.3324705 0.6675295 0.1060606), wk = 0.0026738 k( 258) = ( -0.3324705 0.6675295 0.1212121), wk = 0.0026738 k( 259) = ( -0.3324705 0.6675295 0.1363636), wk = 0.0026738 k( 260) = ( -0.3324705 0.6675295 0.1515151), wk = 0.0026738 k( 261) = ( -0.3324705 0.6675295 0.1666667), wk = 0.0026738 k( 262) = ( -0.3324705 0.6675295 0.1818182), wk = 0.0026738 k( 263) = ( -0.3324705 0.6675295 0.1969697), wk = 0.0026738 k( 264) = ( -0.3324705 0.6675295 0.2121212), wk = 0.0026738 k( 265) = ( -0.3324705 0.6675295 0.2272727), wk = 0.0026738 k( 266) = ( -0.3324705 0.6675295 0.2424242), wk = 0.0026738 k( 267) = ( -0.3324705 0.6675295 0.2575758), wk = 0.0026738 k( 268) = ( -0.3324705 0.6675295 0.2727273), wk = 0.0026738 k( 269) = ( -0.3324705 0.6675295 0.2878788), wk = 0.0026738 k( 270) = ( -0.3324705 0.6675295 0.3030303), wk = 0.0026738 k( 271) = ( -0.3324705 0.6675295 0.3181818), wk = 0.0026738 k( 272) = ( -0.3324705 0.6675295 0.3333333), wk = 0.0026738 k( 273) = ( -0.3324705 0.6675295 0.3484849), wk = 0.0026738 k( 274) = ( -0.3324705 0.6675295 0.3636364), wk = 0.0026738 k( 275) = ( -0.3324705 0.6675295 0.3787879), wk = 0.0026738 k( 276) = ( -0.3324705 0.6675295 0.3939394), wk = 0.0026738 k( 277) = ( -0.3324705 0.6675295 0.4090909), wk = 0.0026738 k( 278) = ( -0.3324705 0.6675295 0.4242424), wk = 0.0026738 k( 279) = ( -0.3324705 0.6675295 0.4393939), wk = 0.0026738 k( 280) = ( -0.3324705 0.6675295 0.4545454), wk = 0.0026738 k( 281) = ( -0.3324705 0.6675295 0.4696970), wk = 0.0026738 k( 282) = ( -0.3324705 0.6675295 0.4848485), wk = 0.0026738 k( 283) = ( -0.3324705 0.6675295 0.5000000), wk = 0.0026738 k( 284) = ( -0.3324705 0.6675295 0.5000000), wk = 0.0026738 k( 285) = ( -0.3408469 0.6591531 0.5000000), wk = 0.0026738 k( 286) = ( -0.3492234 0.6507766 0.5000000), wk = 0.0026738 k( 287) = ( -0.3575999 0.6424001 0.5000000), wk = 0.0026738 k( 288) = ( -0.3659764 0.6340236 0.5000000), wk = 0.0026738 k( 289) = ( -0.3743529 0.6256472 0.5000000), wk = 0.0026738 k( 290) = ( -0.3827293 0.6172707 0.5000000), wk = 0.0026738 k( 291) = ( -0.3911058 0.6088942 0.5000000), wk = 0.0026738 k( 292) = ( -0.3994823 0.6005177 0.5000000), wk = 0.0026738 k( 293) = ( -0.4078587 0.5921413 0.5000000), wk = 0.0026738 k( 294) = ( -0.4162352 0.5837648 0.5000000), wk = 0.0026738 k( 295) = ( -0.4246117 0.5753883 0.5000000), wk = 0.0026738 k( 296) = ( -0.4329882 0.5670118 0.5000000), wk = 0.0026738 k( 297) = ( -0.4413647 0.5586353 0.5000000), wk = 0.0026738 k( 298) = ( -0.4497411 0.5502589 0.5000000), wk = 0.0026738 k( 299) = ( -0.4581176 0.5418824 0.5000000), wk = 0.0026738 k( 300) = ( -0.4664941 0.5335059 0.5000000), wk = 0.0026738 k( 301) = ( -0.4748706 0.5251294 0.5000000), wk = 0.0026738 k( 302) = ( -0.4832471 0.5167529 0.5000000), wk = 0.0026738 k( 303) = ( -0.4916235 0.5083765 0.5000000), wk = 0.0026738 k( 304) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738 k( 305) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738 k( 306) = ( -0.5000000 0.5000000 0.4848485), wk = 0.0026738 k( 307) = ( -0.5000000 0.5000000 0.4696970), wk = 0.0026738 k( 308) = ( -0.5000000 0.5000000 0.4545455), wk = 0.0026738 k( 309) = ( -0.5000000 0.5000000 0.4393939), wk = 0.0026738 k( 310) = ( -0.5000000 0.5000000 0.4242424), wk = 0.0026738 k( 311) = ( -0.5000000 0.5000000 0.4090909), wk = 0.0026738 k( 312) = ( -0.5000000 0.5000000 0.3939394), wk = 0.0026738 k( 313) = ( -0.5000000 0.5000000 0.3787879), wk = 0.0026738 k( 314) = ( -0.5000000 0.5000000 0.3636364), wk = 0.0026738 k( 315) = ( -0.5000000 0.5000000 0.3484848), wk = 0.0026738 k( 316) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0026738 k( 317) = ( -0.5000000 0.5000000 0.3181818), wk = 0.0026738 k( 318) = ( -0.5000000 0.5000000 0.3030303), wk = 0.0026738 k( 319) = ( -0.5000000 0.5000000 0.2878788), wk = 0.0026738 k( 320) = ( -0.5000000 0.5000000 0.2727273), wk = 0.0026738 k( 321) = ( -0.5000000 0.5000000 0.2575758), wk = 0.0026738 k( 322) = ( -0.5000000 0.5000000 0.2424242), wk = 0.0026738 k( 323) = ( -0.5000000 0.5000000 0.2272727), wk = 0.0026738 k( 324) = ( -0.5000000 0.5000000 0.2121212), wk = 0.0026738 k( 325) = ( -0.5000000 0.5000000 0.1969697), wk = 0.0026738 k( 326) = ( -0.5000000 0.5000000 0.1818182), wk = 0.0026738 k( 327) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0026738 k( 328) = ( -0.5000000 0.5000000 0.1515151), wk = 0.0026738 k( 329) = ( -0.5000000 0.5000000 0.1363636), wk = 0.0026738 k( 330) = ( -0.5000000 0.5000000 0.1212121), wk = 0.0026738 k( 331) = ( -0.5000000 0.5000000 0.1060606), wk = 0.0026738 k( 332) = ( -0.5000000 0.5000000 0.0909091), wk = 0.0026738 k( 333) = ( -0.5000000 0.5000000 0.0757576), wk = 0.0026738 k( 334) = ( -0.5000000 0.5000000 0.0606061), wk = 0.0026738 k( 335) = ( -0.5000000 0.5000000 0.0454546), wk = 0.0026738 k( 336) = ( -0.5000000 0.5000000 0.0303030), wk = 0.0026738 k( 337) = ( -0.5000000 0.5000000 0.0151515), wk = 0.0026738 k( 338) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026738 k( 339) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 340) = ( -0.0142857 0.0142857 0.5000000), wk = 0.0026738 k( 341) = ( -0.0285714 0.0285714 0.5000000), wk = 0.0026738 k( 342) = ( -0.0428571 0.0428571 0.5000000), wk = 0.0026738 k( 343) = ( -0.0571429 0.0571429 0.5000000), wk = 0.0026738 k( 344) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0026738 k( 345) = ( -0.0857143 0.0857143 0.5000000), wk = 0.0026738 k( 346) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0026738 k( 347) = ( -0.1142857 0.1142857 0.5000000), wk = 0.0026738 k( 348) = ( -0.1285714 0.1285714 0.5000000), wk = 0.0026738 k( 349) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0026738 k( 350) = ( -0.1571429 0.1571429 0.5000000), wk = 0.0026738 k( 351) = ( -0.1714286 0.1714286 0.5000000), wk = 0.0026738 k( 352) = ( -0.1857143 0.1857143 0.5000000), wk = 0.0026738 k( 353) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0026738 k( 354) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0026738 k( 355) = ( -0.2285714 0.2285714 0.5000000), wk = 0.0026738 k( 356) = ( -0.2428571 0.2428571 0.5000000), wk = 0.0026738 k( 357) = ( -0.2571429 0.2571429 0.5000000), wk = 0.0026738 k( 358) = ( -0.2714286 0.2714286 0.5000000), wk = 0.0026738 k( 359) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0026738 k( 360) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0026738 k( 361) = ( -0.3142857 0.3142857 0.5000000), wk = 0.0026738 k( 362) = ( -0.3285714 0.3285714 0.5000000), wk = 0.0026738 k( 363) = ( -0.3428571 0.3428571 0.5000000), wk = 0.0026738 k( 364) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0026738 k( 365) = ( -0.3714286 0.3714286 0.5000000), wk = 0.0026738 k( 366) = ( -0.3857143 0.3857143 0.5000000), wk = 0.0026738 k( 367) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0026738 k( 368) = ( -0.4142857 0.4142857 0.5000000), wk = 0.0026738 k( 369) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0026738 k( 370) = ( -0.4428571 0.4428571 0.5000000), wk = 0.0026738 k( 371) = ( -0.4571429 0.4571429 0.5000000), wk = 0.0026738 k( 372) = ( -0.4714286 0.4714286 0.5000000), wk = 0.0026738 k( 373) = ( -0.4857143 0.4857143 0.5000000), wk = 0.0026738 k( 374) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738 Dense grid: 110891 G-vectors FFT dimensions: ( 72, 72, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.55 Mb ( 582, 62) NL pseudopotentials 1.10 Mb ( 291, 248) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2312) G-vector shells 0.01 Mb ( 1116) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.20 Mb ( 582, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.47 Mb ( 248, 2, 62) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./LiSi2N3.save/charge-density.dat Starting wfc are 100 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.8 secs Computing kpt #: 2 total cpu time spent up to now is 49.0 secs Computing kpt #: 3 total cpu time spent up to now is 53.2 secs Computing kpt #: 4 total cpu time spent up to now is 57.5 secs Computing kpt #: 5 total cpu time spent up to now is 61.7 secs Computing kpt #: 6 total cpu time spent up to now is 65.8 secs Computing kpt #: 7 total cpu time spent up to now is 70.0 secs Computing kpt #: 8 total cpu time spent up to now is 74.6 secs Computing kpt #: 9 total cpu time spent up to now is 78.8 secs Computing kpt #: 10 total cpu time spent up to now is 83.1 secs Computing kpt #: 11 total cpu time spent up to now is 87.8 secs Computing kpt #: 12 total cpu time spent up to now is 92.2 secs Computing kpt #: 13 total cpu time spent up to now is 96.7 secs Computing kpt #: 14 total cpu time spent up to now is 101.1 secs Computing kpt #: 15 total cpu time spent up to now is 105.8 secs Computing kpt #: 16 total cpu time spent up to now is 110.3 secs Computing kpt #: 17 total cpu time spent up to now is 115.0 secs Computing kpt #: 18 total cpu time spent up to now is 119.6 secs Computing kpt #: 19 total cpu time spent up to now is 124.2 secs Computing kpt #: 20 total cpu time spent up to now is 128.9 secs Computing kpt #: 21 total cpu time spent up to now is 133.6 secs Computing kpt #: 22 total cpu time spent up to now is 138.5 secs Computing kpt #: 23 total cpu time spent up to now is 143.1 secs Computing kpt #: 24 total cpu time spent up to now is 148.0 secs Computing kpt #: 25 total cpu time spent up to now is 152.5 secs Computing kpt #: 26 total cpu time spent up to now is 157.0 secs Computing kpt #: 27 total cpu time spent up to now is 161.4 secs Computing kpt #: 28 total cpu time spent up to now is 165.8 secs Computing kpt #: 29 total cpu time spent up to now is 170.6 secs Computing kpt #: 30 total cpu time spent up to now is 175.2 secs Computing kpt #: 31 total cpu time spent up to now is 179.9 secs Computing kpt #: 32 total cpu time spent up to now is 184.4 secs Computing kpt #: 33 total cpu time spent up to now is 189.1 secs Computing kpt #: 34 total cpu time spent up to now is 193.9 secs Computing kpt #: 35 total cpu time spent up to now is 198.6 secs Computing kpt #: 36 total cpu time spent up to now is 203.5 secs Computing kpt #: 37 total cpu time spent up to now is 208.4 secs Computing kpt #: 38 total cpu time spent up to now is 213.3 secs Computing kpt #: 39 total cpu time spent up to now is 218.2 secs Computing kpt #: 40 total cpu time spent up to now is 223.0 secs Computing kpt #: 41 total cpu time spent up to now is 227.7 secs Computing kpt #: 42 total cpu time spent up to now is 232.3 secs Computing kpt #: 43 total cpu time spent up to now is 237.3 secs Computing kpt #: 44 total cpu time spent up to now is 242.4 secs Computing kpt #: 45 total cpu time spent up to now is 247.1 secs Computing kpt #: 46 total cpu time spent up to now is 251.9 secs Computing kpt #: 47 total cpu time spent up to now is 256.8 secs Computing kpt #: 48 total cpu time spent up to now is 261.6 secs Computing kpt #: 49 total cpu time spent up to now is 266.6 secs Computing kpt #: 50 total cpu time spent up to now is 272.5 secs Computing kpt #: 51 total cpu time spent up to now is 278.7 secs Computing kpt #: 52 total cpu time spent up to now is 283.7 secs Computing kpt #: 53 total cpu time spent up to now is 288.6 secs Computing kpt #: 54 total cpu time spent up to now is 293.5 secs Computing kpt #: 55 total cpu time spent up to now is 298.4 secs Computing kpt #: 56 total cpu time spent up to now is 303.2 secs Computing kpt #: 57 total cpu time spent up to now is 308.0 secs Computing kpt #: 58 total cpu time spent up to now is 313.2 secs Computing kpt #: 59 total cpu time spent up to now is 317.8 secs Computing kpt #: 60 total cpu time spent up to now is 322.4 secs Computing kpt #: 61 total cpu time spent up to now is 327.0 secs Computing kpt #: 62 total cpu time spent up to now is 331.8 secs Computing kpt #: 63 total cpu time spent up to now is 336.4 secs Computing kpt #: 64 total cpu time spent up to now is 341.0 secs Computing kpt #: 65 total cpu time spent up to now is 345.8 secs Computing kpt #: 66 total cpu time spent up to now is 350.4 secs Computing kpt #: 67 total cpu time spent up to now is 354.9 secs Computing kpt #: 68 total cpu time spent up to now is 359.5 secs Computing kpt #: 69 total cpu time spent up to now is 364.0 secs Computing kpt #: 70 total cpu time spent up to now is 368.5 secs Computing kpt #: 71 total cpu time spent up to now is 373.1 secs Computing kpt #: 72 total cpu time spent up to now is 377.7 secs Computing kpt #: 73 total cpu time spent up to now is 382.3 secs Computing kpt #: 74 total cpu time spent up to now is 386.8 secs Computing kpt #: 75 total cpu time spent up to now is 391.3 secs Computing kpt #: 76 total cpu time spent up to now is 395.7 secs Computing kpt #: 77 total cpu time spent up to now is 400.2 secs Computing kpt #: 78 total cpu time spent up to now is 404.7 secs Computing kpt #: 79 total cpu time spent up to now is 410.0 secs Computing kpt #: 80 total cpu time spent up to now is 415.0 secs Computing kpt #: 81 total cpu time spent up to now is 419.6 secs Computing kpt #: 82 total cpu time spent up to now is 424.5 secs Computing kpt #: 83 total cpu time spent up to now is 429.5 secs Computing kpt #: 84 total cpu time spent up to now is 434.7 secs Computing kpt #: 85 total cpu time spent up to now is 441.8 secs Computing kpt #: 86 total cpu time spent up to now is 447.3 secs Computing kpt #: 87 total cpu time spent up to now is 453.2 secs Computing kpt #: 88 total cpu time spent up to now is 458.8 secs Computing kpt #: 89 total cpu time spent up to now is 463.6 secs Computing kpt #: 90 total cpu time spent up to now is 468.3 secs Computing kpt #: 91 total cpu time spent up to now is 472.9 secs Computing kpt #: 92 total cpu time spent up to now is 477.6 secs Computing kpt #: 93 total cpu time spent up to now is 482.3 secs Computing kpt #: 94 total cpu time spent up to now is 487.2 secs Computing kpt #: 95 total cpu time spent up to now is 493.9 secs Computing kpt #: 96 total cpu time spent up to now is 498.7 secs Computing kpt #: 97 total cpu time spent up to now is 503.5 secs Computing kpt #: 98 total cpu time spent up to now is 508.4 secs Computing kpt #: 99 total cpu time spent up to now is 514.9 secs Computing kpt #: 100 total cpu time spent up to now is 519.6 secs Computing kpt #: 101 total cpu time spent up to now is 524.4 secs Computing kpt #: 102 total cpu time spent up to now is 529.4 secs Computing kpt #: 103 total cpu time spent up to now is 534.4 secs Computing kpt #: 104 total cpu time spent up to now is 539.2 secs Computing kpt #: 105 total cpu time spent up to now is 544.0 secs Computing kpt #: 106 total cpu time spent up to now is 549.0 secs Computing kpt #: 107 total cpu time spent up to now is 553.6 secs Computing kpt #: 108 total cpu time spent up to now is 558.4 secs Computing kpt #: 109 total cpu time spent up to now is 563.1 secs Computing kpt #: 110 total cpu time spent up to now is 568.2 secs Computing kpt #: 111 total cpu time spent up to now is 572.7 secs Computing kpt #: 112 total cpu time spent up to now is 578.3 secs Computing kpt #: 113 total cpu time spent up to now is 583.0 secs Computing kpt #: 114 total cpu time spent up to now is 587.4 secs Computing kpt #: 115 total cpu time spent up to now is 592.0 secs Computing kpt #: 116 total cpu time spent up to now is 596.7 secs Computing kpt #: 117 total cpu time spent up to now is 601.3 secs Computing kpt #: 118 total cpu time spent up to now is 605.7 secs Computing kpt #: 119 total cpu time spent up to now is 610.1 secs Computing kpt #: 120 total cpu time spent up to now is 614.6 secs Computing kpt #: 121 total cpu time spent up to now is 619.1 secs Computing kpt #: 122 total cpu time spent up to now is 623.8 secs Computing kpt #: 123 total cpu time spent up to now is 628.4 secs Computing kpt #: 124 total cpu time spent up to now is 633.0 secs Computing kpt #: 125 total cpu time spent up to now is 637.5 secs Computing kpt #: 126 total cpu time spent up to now is 642.1 secs Computing kpt #: 127 total cpu time spent up to now is 646.8 secs Computing kpt #: 128 total cpu time spent up to now is 651.4 secs Computing kpt #: 129 total cpu time spent up to now is 656.0 secs Computing kpt #: 130 total cpu time spent up to now is 661.1 secs Computing kpt #: 131 total cpu time spent up to now is 665.8 secs Computing kpt #: 132 total cpu time spent up to now is 670.6 secs Computing kpt #: 133 total cpu time spent up to now is 677.8 secs Computing kpt #: 134 total cpu time spent up to now is 684.3 secs Computing kpt #: 135 total cpu time spent up to now is 692.7 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 701.2 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 710.0 secs Computing kpt #: 138 total cpu time spent up to now is 718.7 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 727.6 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 736.4 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 745.2 secs Computing kpt #: 142 total cpu time spent up to now is 752.8 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 761.3 secs Computing kpt #: 144 total cpu time spent up to now is 768.7 secs Computing kpt #: 145 total cpu time spent up to now is 774.1 secs Computing kpt #: 146 total cpu time spent up to now is 779.6 secs Computing kpt #: 147 total cpu time spent up to now is 785.0 secs Computing kpt #: 148 total cpu time spent up to now is 790.0 secs Computing kpt #: 149 total cpu time spent up to now is 795.0 secs Computing kpt #: 150 total cpu time spent up to now is 800.1 secs Computing kpt #: 151 total cpu time spent up to now is 805.7 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 814.3 secs Computing kpt #: 153 total cpu time spent up to now is 819.8 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 828.6 secs Computing kpt #: 155 total cpu time spent up to now is 833.1 secs Computing kpt #: 156 total cpu time spent up to now is 837.7 secs Computing kpt #: 157 total cpu time spent up to now is 842.5 secs Computing kpt #: 158 total cpu time spent up to now is 847.5 secs Computing kpt #: 159 total cpu time spent up to now is 852.3 secs Computing kpt #: 160 total cpu time spent up to now is 857.7 secs Computing kpt #: 161 total cpu time spent up to now is 862.7 secs Computing kpt #: 162 total cpu time spent up to now is 868.2 secs Computing kpt #: 163 total cpu time spent up to now is 873.8 secs Computing kpt #: 164 total cpu time spent up to now is 880.9 secs Computing kpt #: 165 total cpu time spent up to now is 886.1 secs Computing kpt #: 166 total cpu time spent up to now is 891.5 secs Computing kpt #: 167 total cpu time spent up to now is 896.4 secs Computing kpt #: 168 total cpu time spent up to now is 901.3 secs Computing kpt #: 169 total cpu time spent up to now is 906.1 secs Computing kpt #: 170 total cpu time spent up to now is 910.8 secs Computing kpt #: 171 total cpu time spent up to now is 915.4 secs Computing kpt #: 172 total cpu time spent up to now is 920.2 secs Computing kpt #: 173 total cpu time spent up to now is 924.8 secs Computing kpt #: 174 total cpu time spent up to now is 929.4 secs Computing kpt #: 175 total cpu time spent up to now is 934.0 secs Computing kpt #: 176 total cpu time spent up to now is 938.3 secs Computing kpt #: 177 total cpu time spent up to now is 942.7 secs Computing kpt #: 178 total cpu time spent up to now is 946.8 secs Computing kpt #: 179 total cpu time spent up to now is 951.0 secs Computing kpt #: 180 total cpu time spent up to now is 955.6 secs Computing kpt #: 181 total cpu time spent up to now is 959.8 secs Computing kpt #: 182 total cpu time spent up to now is 964.0 secs Computing kpt #: 183 total cpu time spent up to now is 968.4 secs Computing kpt #: 184 total cpu time spent up to now is 972.6 secs Computing kpt #: 185 total cpu time spent up to now is 976.9 secs Computing kpt #: 186 total cpu time spent up to now is 981.1 secs Computing kpt #: 187 total cpu time spent up to now is 985.5 secs Computing kpt #: 188 total cpu time spent up to now is 989.6 secs Computing kpt #: 189 total cpu time spent up to now is 993.8 secs Computing kpt #: 190 total cpu time spent up to now is 998.0 secs Computing kpt #: 191 total cpu time spent up to now is 1002.1 secs Computing kpt #: 192 total cpu time spent up to now is 1006.2 secs Computing kpt #: 193 total cpu time spent up to now is 1010.6 secs Computing kpt #: 194 total cpu time spent up to now is 1015.0 secs Computing kpt #: 195 total cpu time spent up to now is 1019.4 secs Computing kpt #: 196 total cpu time spent up to now is 1023.7 secs Computing kpt #: 197 total cpu time spent up to now is 1028.1 secs Computing kpt #: 198 total cpu time spent up to now is 1032.4 secs Computing kpt #: 199 total cpu time spent up to now is 1036.6 secs Computing kpt #: 200 total cpu time spent up to now is 1040.8 secs Computing kpt #: 201 total cpu time spent up to now is 1045.4 secs Computing kpt #: 202 total cpu time spent up to now is 1049.8 secs Computing kpt #: 203 total cpu time spent up to now is 1054.0 secs Computing kpt #: 204 total cpu time spent up to now is 1058.3 secs Computing kpt #: 205 total cpu time spent up to now is 1062.9 secs Computing kpt #: 206 total cpu time spent up to now is 1067.1 secs Computing kpt #: 207 total cpu time spent up to now is 1071.3 secs Computing kpt #: 208 total cpu time spent up to now is 1076.2 secs Computing kpt #: 209 total cpu time spent up to now is 1081.1 secs Computing kpt #: 210 total cpu time spent up to now is 1085.8 secs Computing kpt #: 211 total cpu time spent up to now is 1090.5 secs Computing kpt #: 212 total cpu time spent up to now is 1095.5 secs Computing kpt #: 213 total cpu time spent up to now is 1100.5 secs Computing kpt #: 214 total cpu time spent up to now is 1105.1 secs Computing kpt #: 215 total cpu time spent up to now is 1109.9 secs Computing kpt #: 216 total cpu time spent up to now is 1114.8 secs Computing kpt #: 217 total cpu time spent up to now is 1119.6 secs Computing kpt #: 218 total cpu time spent up to now is 1124.6 secs Computing kpt #: 219 total cpu time spent up to now is 1129.2 secs Computing kpt #: 220 total cpu time spent up to now is 1133.6 secs Computing kpt #: 221 total cpu time spent up to now is 1137.9 secs Computing kpt #: 222 total cpu time spent up to now is 1142.4 secs Computing kpt #: 223 total cpu time spent up to now is 1147.0 secs Computing kpt #: 224 total cpu time spent up to now is 1151.3 secs Computing kpt #: 225 total cpu time spent up to now is 1155.8 secs Computing kpt #: 226 total cpu time spent up to now is 1160.3 secs Computing kpt #: 227 total cpu time spent up to now is 1164.8 secs Computing kpt #: 228 total cpu time spent up to now is 1169.8 secs Computing kpt #: 229 total cpu time spent up to now is 1175.2 secs Computing kpt #: 230 total cpu time spent up to now is 1182.0 secs Computing kpt #: 231 total cpu time spent up to now is 1186.7 secs Computing kpt #: 232 total cpu time spent up to now is 1191.4 secs Computing kpt #: 233 total cpu time spent up to now is 1196.0 secs Computing kpt #: 234 total cpu time spent up to now is 1200.6 secs Computing kpt #: 235 total cpu time spent up to now is 1205.2 secs Computing kpt #: 236 total cpu time spent up to now is 1209.7 secs Computing kpt #: 237 total cpu time spent up to now is 1214.4 secs Computing kpt #: 238 total cpu time spent up to now is 1219.2 secs Computing kpt #: 239 total cpu time spent up to now is 1224.3 secs Computing kpt #: 240 total cpu time spent up to now is 1229.4 secs Computing kpt #: 241 total cpu time spent up to now is 1234.6 secs Computing kpt #: 242 total cpu time spent up to now is 1240.3 secs Computing kpt #: 243 total cpu time spent up to now is 1245.7 secs Computing kpt #: 244 total cpu time spent up to now is 1250.9 secs Computing kpt #: 245 total cpu time spent up to now is 1256.2 secs Computing kpt #: 246 total cpu time spent up to now is 1261.1 secs Computing kpt #: 247 total cpu time spent up to now is 1266.0 secs Computing kpt #: 248 total cpu time spent up to now is 1270.9 secs Computing kpt #: 249 total cpu time spent up to now is 1275.7 secs Computing kpt #: 250 total cpu time spent up to now is 1280.9 secs Computing kpt #: 251 total cpu time spent up to now is 1285.8 secs Computing kpt #: 252 total cpu time spent up to now is 1290.6 secs Computing kpt #: 253 total cpu time spent up to now is 1295.4 secs Computing kpt #: 254 total cpu time spent up to now is 1300.2 secs Computing kpt #: 255 total cpu time spent up to now is 1304.9 secs Computing kpt #: 256 total cpu time spent up to now is 1309.6 secs Computing kpt #: 257 total cpu time spent up to now is 1314.2 secs Computing kpt #: 258 total cpu time spent up to now is 1319.0 secs Computing kpt #: 259 total cpu time spent up to now is 1323.5 secs Computing kpt #: 260 total cpu time spent up to now is 1328.1 secs Computing kpt #: 261 total cpu time spent up to now is 1332.7 secs Computing kpt #: 262 total cpu time spent up to now is 1337.3 secs Computing kpt #: 263 total cpu time spent up to now is 1341.9 secs Computing kpt #: 264 total cpu time spent up to now is 1346.7 secs Computing kpt #: 265 total cpu time spent up to now is 1351.4 secs Computing kpt #: 266 total cpu time spent up to now is 1356.1 secs Computing kpt #: 267 total cpu time spent up to now is 1360.8 secs Computing kpt #: 268 total cpu time spent up to now is 1365.4 secs Computing kpt #: 269 total cpu time spent up to now is 1370.0 secs Computing kpt #: 270 total cpu time spent up to now is 1374.6 secs Computing kpt #: 271 total cpu time spent up to now is 1379.0 secs Computing kpt #: 272 total cpu time spent up to now is 1383.5 secs Computing kpt #: 273 total cpu time spent up to now is 1388.0 secs Computing kpt #: 274 total cpu time spent up to now is 1393.0 secs Computing kpt #: 275 total cpu time spent up to now is 1397.4 secs Computing kpt #: 276 total cpu time spent up to now is 1401.7 secs Computing kpt #: 277 total cpu time spent up to now is 1406.4 secs Computing kpt #: 278 total cpu time spent up to now is 1410.9 secs Computing kpt #: 279 total cpu time spent up to now is 1415.3 secs Computing kpt #: 280 total cpu time spent up to now is 1419.7 secs Computing kpt #: 281 total cpu time spent up to now is 1424.7 secs Computing kpt #: 282 total cpu time spent up to now is 1429.1 secs Computing kpt #: 283 total cpu time spent up to now is 1433.6 secs Computing kpt #: 284 total cpu time spent up to now is 1437.9 secs Computing kpt #: 285 total cpu time spent up to now is 1442.5 secs Computing kpt #: 286 total cpu time spent up to now is 1446.9 secs Computing kpt #: 287 total cpu time spent up to now is 1451.4 secs Computing kpt #: 288 total cpu time spent up to now is 1455.9 secs Computing kpt #: 289 total cpu time spent up to now is 1460.3 secs Computing kpt #: 290 total cpu time spent up to now is 1465.0 secs Computing kpt #: 291 total cpu time spent up to now is 1469.5 secs Computing kpt #: 292 total cpu time spent up to now is 1474.2 secs Computing kpt #: 293 total cpu time spent up to now is 1481.0 secs Computing kpt #: 294 total cpu time spent up to now is 1485.5 secs Computing kpt #: 295 total cpu time spent up to now is 1490.2 secs Computing kpt #: 296 total cpu time spent up to now is 1495.6 secs Computing kpt #: 297 total cpu time spent up to now is 1499.8 secs Computing kpt #: 298 total cpu time spent up to now is 1504.6 secs Computing kpt #: 299 total cpu time spent up to now is 1509.4 secs Computing kpt #: 300 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1517.9 secs Computing kpt #: 301 total cpu time spent up to now is 1523.5 secs Computing kpt #: 302 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1531.9 secs Computing kpt #: 303 total cpu time spent up to now is 1537.5 secs Computing kpt #: 304 total cpu time spent up to now is 1541.8 secs Computing kpt #: 305 total cpu time spent up to now is 1546.1 secs Computing kpt #: 306 total cpu time spent up to now is 1550.8 secs Computing kpt #: 307 total cpu time spent up to now is 1555.4 secs Computing kpt #: 308 total cpu time spent up to now is 1560.1 secs Computing kpt #: 309 total cpu time spent up to now is 1564.7 secs Computing kpt #: 310 total cpu time spent up to now is 1569.6 secs Computing kpt #: 311 total cpu time spent up to now is 1574.4 secs Computing kpt #: 312 total cpu time spent up to now is 1581.0 secs Computing kpt #: 313 total cpu time spent up to now is 1585.9 secs Computing kpt #: 314 total cpu time spent up to now is 1591.1 secs Computing kpt #: 315 total cpu time spent up to now is 1596.0 secs Computing kpt #: 316 total cpu time spent up to now is 1600.9 secs Computing kpt #: 317 total cpu time spent up to now is 1605.8 secs Computing kpt #: 318 total cpu time spent up to now is 1610.7 secs Computing kpt #: 319 total cpu time spent up to now is 1616.1 secs Computing kpt #: 320 total cpu time spent up to now is 1621.7 secs Computing kpt #: 321 total cpu time spent up to now is 1627.1 secs Computing kpt #: 322 total cpu time spent up to now is 1632.6 secs Computing kpt #: 323 total cpu time spent up to now is 1640.0 secs Computing kpt #: 324 total cpu time spent up to now is 1646.7 secs Computing kpt #: 325 total cpu time spent up to now is 1652.3 secs Computing kpt #: 326 total cpu time spent up to now is 1658.1 secs Computing kpt #: 327 total cpu time spent up to now is 1663.2 secs Computing kpt #: 328 total cpu time spent up to now is 1668.0 secs Computing kpt #: 329 total cpu time spent up to now is 1672.9 secs Computing kpt #: 330 total cpu time spent up to now is 1677.8 secs Computing kpt #: 331 total cpu time spent up to now is 1682.7 secs Computing kpt #: 332 total cpu time spent up to now is 1687.6 secs Computing kpt #: 333 total cpu time spent up to now is 1692.5 secs Computing kpt #: 334 total cpu time spent up to now is 1697.5 secs Computing kpt #: 335 total cpu time spent up to now is 1702.2 secs Computing kpt #: 336 total cpu time spent up to now is 1707.1 secs Computing kpt #: 337 total cpu time spent up to now is 1712.0 secs Computing kpt #: 338 total cpu time spent up to now is 1716.9 secs Computing kpt #: 339 total cpu time spent up to now is 1721.4 secs Computing kpt #: 340 total cpu time spent up to now is 1728.8 secs Computing kpt #: 341 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1737.5 secs Computing kpt #: 342 total cpu time spent up to now is 1745.0 secs Computing kpt #: 343 total cpu time spent up to now is 1750.0 secs Computing kpt #: 344 total cpu time spent up to now is 1755.0 secs Computing kpt #: 345 total cpu time spent up to now is 1759.8 secs Computing kpt #: 346 total cpu time spent up to now is 1764.7 secs Computing kpt #: 347 total cpu time spent up to now is 1769.4 secs Computing kpt #: 348 total cpu time spent up to now is 1774.8 secs Computing kpt #: 349 total cpu time spent up to now is 1779.7 secs Computing kpt #: 350 total cpu time spent up to now is 1784.5 secs Computing kpt #: 351 total cpu time spent up to now is 1789.1 secs Computing kpt #: 352 total cpu time spent up to now is 1794.0 secs Computing kpt #: 353 total cpu time spent up to now is 1798.8 secs Computing kpt #: 354 total cpu time spent up to now is 1803.5 secs Computing kpt #: 355 total cpu time spent up to now is 1808.5 secs Computing kpt #: 356 total cpu time spent up to now is 1813.3 secs Computing kpt #: 357 total cpu time spent up to now is 1817.9 secs Computing kpt #: 358 total cpu time spent up to now is 1822.8 secs Computing kpt #: 359 total cpu time spent up to now is 1827.6 secs Computing kpt #: 360 total cpu time spent up to now is 1832.6 secs Computing kpt #: 361 total cpu time spent up to now is 1837.3 secs Computing kpt #: 362 total cpu time spent up to now is 1842.3 secs Computing kpt #: 363 total cpu time spent up to now is 1847.0 secs Computing kpt #: 364 total cpu time spent up to now is 1853.6 secs Computing kpt #: 365 total cpu time spent up to now is 1860.0 secs Computing kpt #: 366 total cpu time spent up to now is 1864.7 secs Computing kpt #: 367 total cpu time spent up to now is 1869.5 secs Computing kpt #: 368 total cpu time spent up to now is 1874.4 secs Computing kpt #: 369 total cpu time spent up to now is 1879.4 secs Computing kpt #: 370 total cpu time spent up to now is 1884.1 secs Computing kpt #: 371 total cpu time spent up to now is 1888.9 secs Computing kpt #: 372 total cpu time spent up to now is 1893.6 secs Computing kpt #: 373 total cpu time spent up to now is 1898.3 secs Computing kpt #: 374 total cpu time spent up to now is 1902.6 secs ethr = 1.92E-11, avg # of iterations = 36.1 total cpu time spent up to now is 1902.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 13949 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -10.1364 -10.1364 -7.3279 -7.3279 -7.2952 -7.2952 -7.1739 -7.1739 -6.2721 -6.2721 -6.0046 -6.0046 -1.0021 -1.0021 -0.7052 -0.7052 -0.5935 -0.5935 0.9967 0.9967 1.3501 1.3501 2.1200 2.1200 2.9164 2.9164 3.2991 3.2991 3.5661 3.5661 4.1732 4.1732 5.2797 5.2797 5.7340 5.7340 5.7853 5.7853 5.8146 5.8146 6.0047 6.0047 6.5753 6.5753 6.7009 6.7009 6.7868 6.7868 12.5165 12.5165 12.5536 12.5536 12.7935 12.7935 14.2815 14.2815 15.0120 15.0120 k = 0.0083 0.0145-0.0000 ( 13945 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -10.1355 -10.1355 -7.3274 -7.3272 -7.3154 -7.3129 -7.1581 -7.1552 -6.2727 -6.2727 -6.0046 -6.0046 -1.0013 -1.0011 -0.7236 -0.7231 -0.5733 -0.5725 0.9980 0.9983 1.3499 1.3501 2.1137 2.1147 2.9223 2.9235 3.3001 3.3002 3.5636 3.5647 4.1716 4.1727 5.2802 5.2803 5.7223 5.7225 5.7932 5.7939 5.8145 5.8146 6.0044 6.0044 6.5753 6.5757 6.6995 6.7000 6.7858 6.7864 12.5177 12.5178 12.5564 12.5564 12.7957 12.7958 14.2834 14.2835 15.0120 15.0125 k = 0.0166 0.0289-0.0000 ( 13943 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -10.1328 -10.1328 -7.3571 -7.3538 -7.3257 -7.3254 -7.1228 -7.1188 -6.2744 -6.2743 -6.0044 -6.0043 -0.9985 -0.9982 -0.7598 -0.7594 -0.5299 -0.5286 1.0020 1.0025 1.3495 1.3500 2.0965 2.0983 2.9408 2.9430 3.3030 3.3031 3.5573 3.5594 4.1678 4.1700 5.2820 5.2822 5.6981 5.6983 5.8061 5.8071 5.8153 5.8154 6.0034 6.0035 6.5757 6.5764 6.6958 6.6969 6.7835 6.7846 12.5214 12.5216 12.5646 12.5647 12.8026 12.8028 14.2893 14.2894 15.0124 15.0135 k = 0.0249 0.0434-0.0000 ( 13943 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -10.1283 -10.1283 -7.4064 -7.4030 -7.3229 -7.3224 -7.0827 -7.0783 -6.2772 -6.2771 -6.0041 -6.0040 -0.9940 -0.9934 -0.7993 -0.7991 -0.4782 -0.4767 1.0086 1.0095 1.3489 1.3496 2.0700 2.0725 2.9702 2.9733 3.3078 3.3081 3.5472 3.5502 4.1618 4.1651 5.2849 5.2852 5.6697 5.6698 5.8101 5.8103 5.8227 5.8236 6.0019 6.0019 6.5762 6.5775 6.6898 6.6916 6.7801 6.7818 12.5277 12.5280 12.5784 12.5784 12.8139 12.8142 14.2989 14.2990 15.0132 15.0147 k = 0.0332 0.0579-0.0000 ( 13943 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -10.1220 -10.1219 -7.4593 -7.4559 -7.3190 -7.3182 -7.0424 -7.0376 -6.2812 -6.2810 -6.0036 -6.0035 -0.9875 -0.9868 -0.8381 -0.8380 -0.4224 -0.4207 1.0176 1.0189 1.3481 1.3491 2.0366 2.0396 3.0085 3.0122 3.3147 3.3151 3.5333 3.5373 4.1534 4.1577 5.2889 5.2892 5.6394 5.6395 5.8089 5.8090 5.8300 5.8314 5.9997 5.9997 6.5768 6.5786 6.6815 6.6843 6.7762 6.7787 12.5364 12.5368 12.5975 12.5975 12.8296 12.8300 14.3121 14.3123 15.0142 15.0163 k = 0.0416 0.0724-0.0000 ( 13939 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -10.1138 -10.1138 -7.5146 -7.5113 -7.3139 -7.3130 -7.0032 -6.9982 -6.2862 -6.2860 -6.0030 -6.0029 -0.9792 -0.9783 -0.8750 -0.8749 -0.3637 -0.3618 1.0288 1.0304 1.3470 1.3482 1.9985 2.0017 3.0536 3.0576 3.3235 3.3243 3.5159 3.5207 4.1426 4.1478 5.2938 5.2942 5.6083 5.6086 5.8067 5.8069 5.8321 5.8338 5.9969 5.9969 6.5770 6.5795 6.6709 6.6749 6.7729 6.7762 12.5476 12.5481 12.6218 12.6219 12.8495 12.8500 14.3286 14.3288 15.0152 15.0178 k = 0.0499 0.0868-0.0000 ( 13925 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -10.1039 -10.1038 -7.5715 -7.5683 -7.3076 -7.3065 -6.9659 -6.9607 -6.2923 -6.2920 -6.0023 -6.0022 -0.9691 -0.9680 -0.9096 -0.9093 -0.3028 -0.3006 1.0418 1.0438 1.3455 1.3470 1.9577 1.9610 3.1034 3.1075 3.3346 3.3357 3.4951 3.5007 4.1290 4.1351 5.2994 5.2998 5.5774 5.5778 5.8040 5.8042 5.8280 5.8299 5.9934 5.9935 6.5763 6.5795 6.6579 6.6631 6.7713 6.7754 12.5611 12.5616 12.6512 12.6514 12.8733 12.8739 14.3481 14.3484 15.0161 15.0192 k = 0.0582 0.1013-0.0000 ( 13919 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -10.0921 -10.0921 -7.6296 -7.6266 -7.3003 -7.2990 -6.9306 -6.9253 -6.2995 -6.2991 -6.0015 -6.0014 -0.9570 -0.9559 -0.9416 -0.9410 -0.2399 -0.2376 1.0560 1.0584 1.3437 1.3455 1.9163 1.9194 3.1564 3.1602 3.3480 3.3498 3.4709 3.4772 4.1126 4.1194 5.3056 5.3059 5.5473 5.5479 5.8009 5.8012 5.8175 5.8194 5.9894 5.9896 6.5740 6.5780 6.6424 6.6489 6.7727 6.7773 12.5768 12.5775 12.6856 12.6857 12.9008 12.9015 14.3702 14.3706 15.0166 15.0201 k = 0.0665 0.1158-0.0000 ( 13921 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -10.0786 -10.0786 -7.6889 -7.6860 -7.2918 -7.2904 -6.8977 -6.8922 -6.3076 -6.3073 -6.0006 -6.0005 -0.9707 -0.9700 -0.9432 -0.9417 -0.1754 -0.1728 1.0706 1.0736 1.3414 1.3434 1.8760 1.8788 3.2108 3.2136 3.3644 3.3674 3.4437 3.4505 4.0931 4.1006 5.3118 5.3122 5.5185 5.5193 5.7966 5.7969 5.8018 5.8031 5.9849 5.9850 6.5694 6.5743 6.6247 6.6322 6.7779 6.7829 12.5947 12.5955 12.7245 12.7247 12.9316 12.9323 14.3944 14.3948 15.0163 15.0204 k = 0.0748 0.1302-0.0000 ( 13917 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -10.0633 -10.0633 -7.7489 -7.7462 -7.2822 -7.2806 -6.8672 -6.8615 -6.3168 -6.3164 -5.9996 -5.9994 -0.9970 -0.9961 -0.9275 -0.9259 -0.1093 -0.1066 1.0847 1.0883 1.3386 1.3408 1.8386 1.8410 3.2641 3.2652 3.3852 3.3900 3.4136 3.4208 4.0705 4.0785 5.3179 5.3182 5.4914 5.4926 5.7761 5.7780 5.7953 5.7958 5.9798 5.9799 6.5621 6.5676 6.6052 6.6134 6.7874 6.7925 12.6147 12.6155 12.7679 12.7681 12.9653 12.9662 14.4202 14.4207 15.0150 15.0195 k = 0.0831 0.1447-0.0000 ( 13925 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -10.0463 -10.0462 -7.8097 -7.8070 -7.2716 -7.2698 -6.8393 -6.8335 -6.3270 -6.3266 -5.9985 -5.9983 -1.0203 -1.0193 -0.9100 -0.9082 -0.0421 -0.0392 1.0970 1.1013 1.3351 1.3376 1.8059 1.8079 3.3113 3.3127 3.3801 3.3881 3.4134 3.4212 4.0445 4.0530 5.3231 5.3234 5.4666 5.4681 5.7475 5.7492 5.7920 5.7925 5.9742 5.9744 6.5513 6.5564 6.5857 6.5935 6.8009 6.8059 12.6365 12.6374 12.8154 12.8156 13.0016 13.0026 14.4471 14.4476 15.0122 15.0172 k = 0.0914 0.1592-0.0000 ( 13918 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -10.0274 -10.0274 -7.8709 -7.8684 -7.2599 -7.2580 -6.8139 -6.8080 -6.3381 -6.3377 -5.9974 -5.9971 -1.0408 -1.0396 -0.8906 -0.8887 0.0263 0.0293 1.1060 1.1111 1.3309 1.3336 1.7800 1.7813 3.3436 3.3496 3.3501 3.3552 3.4523 3.4625 4.0151 4.0240 5.3267 5.3269 5.4441 5.4461 5.7145 5.7158 5.7890 5.7896 5.9682 5.9684 6.5359 6.5386 6.5688 6.5743 6.8176 6.8226 12.6600 12.6610 12.8666 12.8669 13.0402 13.0412 14.4743 14.4749 15.0076 15.0129 k = 0.0997 0.1737-0.0000 ( 13914 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -10.0069 -10.0068 -7.9326 -7.9302 -7.2472 -7.2451 -6.7912 -6.7851 -6.3502 -6.3496 -5.9961 -5.9959 -1.0585 -1.0571 -0.8695 -0.8673 0.0956 0.0988 1.1103 1.1161 1.3258 1.3287 1.7627 1.7634 3.3059 3.3144 3.3785 3.3835 3.5018 3.5132 3.9825 3.9916 5.3275 5.3277 5.4241 5.4267 5.6789 5.6797 5.7865 5.7871 5.9618 5.9620 6.5147 6.5150 6.5546 6.5572 6.8369 6.8418 12.6851 12.6862 12.9213 12.9216 13.0805 13.0816 14.5014 14.5021 15.0005 15.0063 k = 0.1081 0.1881-0.0000 ( 13900 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.9846 -9.9845 -7.9945 -7.9922 -7.2335 -7.2312 -6.7711 -6.7649 -6.3631 -6.3625 -5.9948 -5.9946 -1.0733 -1.0718 -0.8465 -0.8442 0.1656 0.1689 1.1085 1.1150 1.3197 1.3229 1.7557 1.7557 3.2651 3.2738 3.4035 3.4087 3.5578 3.5694 3.9466 3.9560 5.3243 5.3245 5.4059 5.4091 5.6432 5.6433 5.7844 5.7851 5.9551 5.9553 6.4872 6.4897 6.5413 6.5419 6.8578 6.8627 12.7115 12.7128 12.9789 12.9793 13.1221 13.1233 14.5277 14.5285 14.9904 14.9965 k = 0.1164 0.2026-0.0000 ( 13898 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.9606 -9.9605 -8.0565 -8.0544 -7.2188 -7.2163 -6.7537 -6.7474 -6.3768 -6.3763 -5.9935 -5.9932 -1.0855 -1.0839 -0.8218 -0.8193 0.2361 0.2396 1.0999 1.1070 1.3124 1.3159 1.7593 1.7599 3.2219 3.2308 3.4262 3.4314 3.6167 3.6285 3.9077 3.9172 5.3156 5.3161 5.3882 5.3918 5.6098 5.6107 5.7830 5.7838 5.9482 5.9485 6.4578 6.4617 6.5274 6.5279 6.8798 6.8846 12.7391 12.7405 13.0391 13.0395 13.1646 13.1658 14.5527 14.5536 14.9764 14.9828 k = 0.1247 0.2171-0.0000 ( 13904 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.9349 -9.9348 -8.1185 -8.1165 -7.2032 -7.2005 -6.7388 -6.7325 -6.3914 -6.3908 -5.9921 -5.9918 -1.0951 -1.0933 -0.7953 -0.7926 0.3070 0.3107 1.0847 1.0922 1.3040 1.3077 1.7744 1.7754 3.1763 3.1853 3.4477 3.4529 3.6770 3.6887 3.8662 3.8757 5.2995 5.3008 5.3694 5.3729 5.5834 5.5851 5.7824 5.7832 5.9412 5.9415 6.4274 6.4322 6.5129 6.5140 6.9020 6.9068 12.7677 12.7692 13.1013 13.1017 13.2077 13.2089 14.5759 14.5770 14.9575 14.9641 k = 0.1330 0.2315-0.0000 ( 13904 PWs) bands (ev): -36.1610 -36.1610 -36.1494 -36.1494 -9.9075 -9.9074 -8.1804 -8.1785 -7.1866 -7.1838 -6.7265 -6.7201 -6.4067 -6.4061 -5.9907 -5.9904 -1.1022 -1.1004 -0.7670 -0.7642 0.3780 0.3818 1.0639 1.0717 1.2941 1.2981 1.8002 1.8015 3.1285 3.1375 3.4686 3.4738 3.7375 3.7492 3.8222 3.8319 5.2732 5.2756 5.3497 5.3528 5.5667 5.5691 5.7827 5.7835 5.9343 5.9345 6.3968 6.4022 6.4982 6.4996 6.9240 6.9288 12.7969 12.7986 13.1648 13.1650 13.2510 13.2521 14.5971 14.5984 14.9325 14.9393 k = 0.1413 0.2460-0.0000 ( 13884 PWs) bands (ev): -36.1609 -36.1609 -36.1493 -36.1493 -9.8785 -9.8784 -8.2421 -8.2403 -7.1692 -7.1663 -6.7168 -6.7103 -6.4228 -6.4221 -5.9894 -5.9890 -1.1071 -1.1051 -0.7371 -0.7341 0.4488 0.4528 1.0389 1.0468 1.2828 1.2870 1.8355 1.8369 3.0785 3.0875 3.4889 3.4941 3.7762 3.7858 3.7980 3.8098 5.2349 5.2382 5.3315 5.3338 5.5600 5.5629 5.7841 5.7849 5.9276 5.9278 6.3663 6.3721 6.4833 6.4847 6.9452 6.9500 12.8267 12.8285 13.2283 13.2284 13.2949 13.2957 14.6160 14.6175 14.9001 14.9069 k = 0.1496 0.2605-0.0000 ( 13912 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.8479 -9.8477 -8.3035 -8.3018 -7.1510 -7.1479 -6.7094 -6.7029 -6.4396 -6.4389 -5.9880 -5.9876 -1.1098 -1.1078 -0.7054 -0.7023 0.5190 0.5233 1.0114 1.0193 1.2698 1.2742 1.8789 1.8804 3.0264 3.0352 3.5086 3.5139 3.7289 3.7384 3.8577 3.8696 5.1858 5.1895 5.3151 5.3170 5.5614 5.5644 5.7864 5.7873 5.9213 5.9214 6.3364 6.3426 6.4680 6.4694 6.9652 6.9699 12.8567 12.8587 13.2890 13.2899 13.3407 13.3408 14.6328 14.6345 14.8590 14.8655 k = 0.1579 0.2750-0.0000 ( 13908 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.8156 -9.8154 -8.3645 -8.3629 -7.1319 -7.1287 -6.7044 -6.6979 -6.4570 -6.4563 -5.9867 -5.9863 -1.1107 -1.1086 -0.6720 -0.6688 0.5880 0.5925 0.9834 0.9910 1.2550 1.2597 1.9292 1.9307 2.9721 2.9808 3.5276 3.5330 3.6803 3.6898 3.9167 3.9287 5.1292 5.1329 5.2996 5.3014 5.5684 5.5717 5.7899 5.7908 5.9157 5.9158 6.3074 6.3140 6.4525 6.4538 6.9835 6.9883 12.8867 12.8890 13.3421 13.3444 13.3910 13.3925 14.6475 14.6495 14.8080 14.8142 k = 0.1662 0.2894-0.0000 ( 13892 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.7818 -9.7816 -8.4250 -8.4235 -7.1121 -7.1087 -6.7016 -6.6951 -6.4751 -6.4743 -5.9854 -5.9850 -1.1100 -1.1078 -0.6371 -0.6336 0.6545 0.6595 0.9571 0.9643 1.2384 1.2432 1.9852 1.9867 2.9158 2.9244 3.5457 3.5512 3.6311 3.6405 3.9748 3.9869 5.0677 5.0713 5.2840 5.2857 5.5795 5.5829 5.7944 5.7952 5.9112 5.9112 6.2798 6.2866 6.4369 6.4381 6.9999 7.0046 12.9166 12.9191 13.3853 13.3883 13.4492 13.4515 14.6608 14.6630 14.7468 14.7524 k = 0.1745 0.3039-0.0000 ( 13894 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.7463 -9.7462 -8.4849 -8.4835 -7.0916 -7.0881 -6.7010 -6.6944 -6.4937 -6.4929 -5.9842 -5.9837 -1.1079 -1.1057 -0.6004 -0.5968 0.7155 0.7211 0.9364 0.9430 1.2197 1.2248 2.0460 2.0474 2.8574 2.8658 3.5624 3.5683 3.5817 3.5912 4.0317 4.0440 5.0033 5.0067 5.2675 5.2693 5.5935 5.5970 5.7998 5.8005 5.9081 5.9083 6.2538 6.2607 6.4214 6.4222 7.0140 7.0187 12.9461 12.9488 13.4211 13.4244 13.5115 13.5141 14.6735 14.6755 14.6758 14.6805 k = 0.1829 0.3184-0.0000 ( 13902 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.7094 -9.7092 -8.5442 -8.5428 -7.0705 -7.0668 -6.7024 -6.6958 -6.5129 -6.5121 -5.9830 -5.9826 -1.1046 -1.1024 -0.5623 -0.5585 0.7630 0.7698 0.9299 0.9353 1.1990 1.2043 2.1109 2.1122 2.7972 2.8054 3.5319 3.5406 3.5792 3.5844 4.0874 4.0997 4.9372 4.9404 5.2496 5.2514 5.6096 5.6133 5.8056 5.8063 5.9071 5.9075 6.2294 6.2365 6.4060 6.4066 7.0256 7.0303 12.9750 12.9779 13.4520 13.4554 13.5745 13.5773 14.5952 14.5995 14.6866 14.6888 k = 0.1912 0.3328-0.0000 ( 13894 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.6710 -9.6707 -8.6027 -8.6014 -7.0487 -7.0449 -6.7056 -6.6991 -6.5326 -6.5317 -5.9820 -5.9816 -1.1006 -1.0983 -0.5226 -0.5186 0.7843 0.7923 0.9510 0.9550 1.1762 1.1817 2.1790 2.1803 2.7351 2.7431 3.4827 3.4915 3.5934 3.5990 4.1415 4.1541 4.8704 4.8733 5.2299 5.2317 5.6273 5.6310 5.8115 5.8121 5.9090 5.9096 6.2068 6.2139 6.3912 6.3914 7.0344 7.0391 13.0032 13.0064 13.4787 13.4822 13.6367 13.6396 14.5073 14.5110 14.7010 14.7030 k = 0.1995 0.3473-0.0000 ( 13902 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.6311 -9.6308 -8.6603 -8.6592 -7.0264 -7.0224 -6.7106 -6.7042 -6.5528 -6.5519 -5.9812 -5.9807 -1.0960 -1.0938 -0.4814 -0.4773 0.7814 0.7898 0.9981 1.0016 1.1512 1.1569 2.2500 2.2511 2.6713 2.6791 3.4340 3.4427 3.6062 3.6119 4.1941 4.2068 4.8036 4.8063 5.2082 5.2101 5.6461 5.6499 5.8171 5.8174 5.9143 5.9152 6.1858 6.1929 6.3769 6.3771 7.0403 7.0451 13.0304 13.0339 13.5017 13.5052 13.6972 13.7003 14.4138 14.4169 14.7173 14.7190 k = 0.2078 0.3618-0.0000 ( 13894 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.5898 -9.5895 -8.7171 -8.7160 -7.0036 -6.9995 -6.7173 -6.7109 -6.5734 -6.5725 -5.9804 -5.9799 -1.0912 -1.0890 -0.4388 -0.4345 0.7685 0.7769 1.0573 1.0608 1.1241 1.1299 2.3232 2.3242 2.6060 2.6135 3.3859 3.3946 3.6173 3.6232 4.2449 4.2577 4.7375 4.7399 5.1846 5.1864 5.6655 5.6694 5.8220 5.8222 5.9236 5.9249 6.1664 6.1734 6.3634 6.3641 7.0431 7.0479 13.0567 13.0605 13.5215 13.5250 13.7556 13.7588 14.3163 14.3190 14.7358 14.7372 k = 0.2161 0.3763-0.0000 ( 13900 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.5471 -9.5467 -8.7729 -8.7719 -6.9803 -6.9761 -6.7254 -6.7191 -6.5945 -6.5936 -5.9799 -5.9794 -1.0865 -1.0842 -0.3948 -0.3904 0.7539 0.7620 1.0947 1.1007 1.1210 1.1246 2.3981 2.3990 2.5393 2.5465 3.3385 3.3472 3.6267 3.6326 4.2938 4.3068 4.6726 4.6747 5.1589 5.1606 5.6852 5.6891 5.8265 5.8265 5.9370 5.9386 6.1484 6.1551 6.3514 6.3526 7.0428 7.0477 13.0818 13.0860 13.5384 13.5420 13.8117 13.8151 14.2166 14.2189 14.7564 14.7574 k = 0.2244 0.3907-0.0000 ( 13894 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.5030 -9.5027 -8.8277 -8.8267 -6.9567 -6.9524 -6.7349 -6.7287 -6.6160 -6.6150 -5.9796 -5.9790 -1.0822 -1.0799 -0.3495 -0.3450 0.7406 0.7486 1.0634 1.0696 1.1860 1.1896 2.4713 2.4739 2.4751 2.4785 3.2920 3.3006 3.6342 3.6402 4.3406 4.3537 4.6092 4.6112 5.1313 5.1330 5.7046 5.7084 5.8308 5.8310 5.9542 5.9561 6.1315 6.1379 6.3411 6.3429 7.0393 7.0442 13.1057 13.1102 13.5530 13.5566 13.8654 13.8689 14.1162 14.1182 14.7787 14.7794 k = 0.2327 0.4052-0.0000 ( 13892 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.4576 -9.4573 -8.8814 -8.8805 -6.9327 -6.9283 -6.7456 -6.7395 -6.6378 -6.6369 -5.9795 -5.9788 -1.0785 -1.0762 -0.3030 -0.2984 0.7302 0.7380 1.0303 1.0365 1.2513 1.2550 2.4021 2.4089 2.5510 2.5518 3.2463 3.2549 3.6398 3.6460 4.3851 4.3984 4.5479 4.5495 5.1021 5.1037 5.7232 5.7269 5.8357 5.8360 5.9748 5.9769 6.1157 6.1216 6.3328 6.3353 7.0327 7.0376 13.1282 13.1331 13.5658 13.5694 13.9168 13.9203 14.0166 14.0183 14.8025 14.8030 k = 0.2410 0.4197-0.0000 ( 13902 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.4110 -9.4106 -8.9340 -8.9331 -6.9086 -6.9040 -6.7574 -6.7513 -6.6600 -6.6590 -5.9796 -5.9790 -1.0757 -1.0735 -0.2554 -0.2506 0.7233 0.7310 0.9954 1.0017 1.3163 1.3199 2.3320 2.3385 2.6279 2.6287 3.2013 3.2099 3.6437 3.6500 4.4271 4.4407 4.4889 4.4903 5.0714 5.0730 5.7402 5.7436 5.8418 5.8422 5.9983 6.0007 6.1011 6.1064 6.3269 6.3301 7.0229 7.0279 13.1492 13.1544 13.5773 13.5810 13.9187 13.9203 13.9662 13.9698 14.8275 14.8278 k = 0.2494 0.4341-0.0000 ( 13914 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.3631 -9.3627 -8.9854 -8.9846 -6.8842 -6.8795 -6.7701 -6.7642 -6.6825 -6.6816 -5.9800 -5.9794 -1.0740 -1.0718 -0.2068 -0.2020 0.7206 0.7281 0.9590 0.9654 1.3805 1.3842 2.2611 2.2674 2.7045 2.7052 3.1571 3.1657 3.6460 3.6524 4.4320 4.4335 4.4671 4.4804 5.0397 5.0412 5.7547 5.7579 5.8495 5.8499 6.0243 6.0270 6.0880 6.0926 6.3234 6.3272 7.0101 7.0151 13.1683 13.1739 13.5881 13.5918 13.8244 13.8258 14.0135 14.0171 14.8533 14.8536 k = 0.2577 0.4486-0.0000 ( 13904 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.3141 -9.3137 -9.0355 -9.0347 -6.8598 -6.8549 -6.7836 -6.7778 -6.7053 -6.7044 -5.9808 -5.9800 -1.0736 -1.0715 -0.1575 -0.1525 0.7223 0.7296 0.9215 0.9280 1.4438 1.4474 2.1894 2.1955 2.7799 2.7806 3.1135 3.1222 3.6471 3.6535 4.3785 4.3796 4.5038 4.5173 5.0072 5.0086 5.7659 5.7685 5.8591 5.8597 6.0525 6.0554 6.0771 6.0808 6.3223 6.3268 6.9944 6.9995 13.1850 13.1909 13.5986 13.6022 13.7348 13.7361 14.0592 14.0628 14.8794 14.8799 k = 0.2660 0.4631-0.0000 ( 13904 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.2640 -9.2635 -9.0843 -9.0836 -6.8354 -6.8304 -6.7978 -6.7922 -6.7283 -6.7275 -5.9818 -5.9811 -1.0746 -1.0725 -0.1074 -0.1023 0.7285 0.7356 0.8833 0.8898 1.5060 1.5096 2.1171 2.1230 2.8534 2.8541 3.0705 3.0792 3.6472 3.6538 4.3278 4.3287 4.5377 4.5514 4.9743 4.9756 5.7724 5.7744 5.8709 5.8716 6.0690 6.0717 6.0826 6.0858 6.3236 6.3287 6.9761 6.9812 13.1982 13.2045 13.6088 13.6125 13.6519 13.6529 14.1036 14.1072 14.9048 14.9057 k = 0.2743 0.4776-0.0000 ( 13908 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.2128 -9.2123 -9.1318 -9.1312 -6.8133 -6.8107 -6.8071 -6.8060 -6.7513 -6.7507 -5.9833 -5.9824 -1.0771 -1.0750 -0.0571 -0.0519 0.7394 0.7464 0.8448 0.8514 1.5670 1.5705 2.0443 2.0500 2.9240 2.9247 3.0280 3.0367 3.6471 3.6538 4.2801 4.2807 4.5688 4.5826 4.9413 4.9425 5.7735 5.7747 5.8852 5.8860 6.0646 6.0662 6.1143 6.1177 6.3270 6.3326 6.9552 6.9605 13.2063 13.2126 13.5780 13.5789 13.6195 13.6230 14.1470 14.1505 14.9279 14.9294 k = 0.2826 0.4920-0.0000 ( 13898 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.1779 -9.1773 -9.1607 -9.1601 -6.8279 -6.8225 -6.7912 -6.7850 -6.7710 -6.7708 -5.9851 -5.9842 -1.0811 -1.0791 -0.0067 -0.0015 0.7549 0.7619 0.8068 0.8133 1.6265 1.6300 1.9711 1.9766 2.9839 2.9909 2.9925 2.9950 3.6478 3.6545 4.2354 4.2359 4.5970 4.6108 4.9085 4.9096 5.7684 5.7688 5.9019 5.9029 6.0640 6.0647 6.1472 6.1508 6.3323 6.3385 6.9322 6.9376 13.2059 13.2118 13.5178 13.5180 13.6301 13.6337 14.1897 14.1930 14.9449 14.9475 k = 0.2909 0.5065-0.0000 ( 13898 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.2226 -9.2220 -9.1076 -9.1070 -6.8434 -6.8382 -6.8028 -6.8004 -6.7590 -6.7553 -5.9872 -5.9863 -1.0867 -1.0846 0.0432 0.0485 0.7677 0.7763 0.7772 0.7820 1.6846 1.6880 1.8976 1.9029 2.9439 2.9530 3.0516 3.0521 3.6503 3.6572 4.1938 4.1941 4.6222 4.6361 4.8764 4.8773 5.7569 5.7572 5.9212 5.9224 6.0669 6.0672 6.1812 6.1850 6.3393 6.3459 6.9074 6.9129 13.1932 13.1981 13.4747 13.4758 13.6410 13.6447 14.2317 14.2349 14.9488 14.9531 k = 0.2992 0.5210-0.0000 ( 13902 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.2658 -9.2653 -9.0536 -9.0530 -6.8591 -6.8541 -6.8264 -6.8245 -6.7359 -6.7316 -5.9898 -5.9889 -1.0936 -1.0916 0.0919 0.0971 0.7343 0.7415 0.8004 0.8066 1.7411 1.7444 1.8239 1.8290 2.9025 2.9116 3.1049 3.1053 3.6565 3.6635 4.1551 4.1552 4.6446 4.6585 4.8452 4.8460 5.7397 5.7406 5.9430 5.9444 6.0720 6.0731 6.2158 6.2199 6.3476 6.3547 6.8812 6.8869 13.1661 13.1697 13.4517 13.4544 13.6521 13.6559 14.2732 14.2763 14.9318 14.9378 k = 0.3075 0.5354-0.0000 ( 13898 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.3075 -9.3070 -8.9989 -8.9982 -6.8750 -6.8701 -6.8510 -6.8493 -6.7124 -6.7078 -5.9929 -5.9918 -1.1018 -1.0999 0.1383 0.1435 0.7029 0.7101 0.8295 0.8356 1.7500 1.7550 1.7961 1.7992 2.8613 2.8704 3.1484 3.1488 3.6681 3.6752 4.1192 4.1192 4.6643 4.6781 4.8152 4.8159 5.7179 5.7194 5.9671 5.9687 6.0791 6.0808 6.2509 6.2552 6.3571 6.3646 6.8540 6.8598 13.1282 13.1304 13.4460 13.4504 13.6635 13.6673 14.3143 14.3172 14.8942 14.9012 k = 0.3158 0.5499-0.0000 ( 13892 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.3477 -9.3472 -8.9434 -8.9427 -6.8909 -6.8861 -6.8761 -6.8745 -6.6890 -6.6843 -5.9963 -5.9952 -1.1112 -1.1094 0.1809 0.1859 0.6767 0.6840 0.8629 0.8689 1.6763 1.6810 1.8490 1.8521 2.8203 2.8295 3.1804 3.1807 3.6870 3.6941 4.0859 4.0859 4.6813 4.6952 4.7868 4.7873 5.6926 5.6945 5.9934 5.9953 6.0871 6.0892 6.2862 6.2906 6.3674 6.3752 6.8264 6.8324 13.0855 13.0866 13.4524 13.4581 13.6749 13.6788 14.3547 14.3575 14.8445 14.8519 k = 0.3242 0.5644-0.0000 ( 13884 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.3863 -9.3859 -8.8874 -8.8866 -6.9067 -6.9021 -6.9017 -6.9001 -6.6660 -6.6612 -6.0002 -5.9991 -1.1217 -1.1199 0.2175 0.2223 0.6581 0.6657 0.9002 0.9061 1.6027 1.6072 1.9002 1.9032 2.7794 2.7886 3.1996 3.1997 3.7139 3.7210 4.0550 4.0551 4.6960 4.7099 4.7602 4.7605 5.6646 5.6668 6.0217 6.0237 6.0949 6.0973 6.3212 6.3259 6.3784 6.3864 6.7989 6.8051 13.0427 13.0431 13.4664 13.4730 13.6862 13.6902 14.3941 14.3968 14.7907 14.7981 k = 0.3325 0.5789-0.0000 ( 13894 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.4233 -9.4229 -8.8307 -8.8299 -6.9279 -6.9262 -6.9221 -6.9178 -6.6434 -6.6386 -6.0046 -6.0034 -1.1330 -1.1312 0.2455 0.2500 0.6500 0.6579 0.9413 0.9470 1.5295 1.5338 1.9494 1.9523 2.7386 2.7479 3.2063 3.2064 3.7485 3.7556 4.0263 4.0264 4.7085 4.7222 4.7357 4.7359 5.6345 5.6370 6.0516 6.0539 6.1017 6.1042 6.3559 6.3608 6.3896 6.3979 6.7721 6.7786 13.0028 13.0031 13.4855 13.4929 13.6974 13.7015 14.4315 14.4342 14.7375 14.7446 k = 0.3325 0.5789-0.0000 ( 13894 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.4233 -9.4229 -8.8307 -8.8299 -6.9279 -6.9262 -6.9221 -6.9178 -6.6434 -6.6386 -6.0046 -6.0034 -1.1330 -1.1312 0.2455 0.2500 0.6500 0.6579 0.9413 0.9470 1.5295 1.5338 1.9494 1.9523 2.7386 2.7479 3.2063 3.2064 3.7485 3.7556 4.0263 4.0264 4.7085 4.7222 4.7357 4.7359 5.6345 5.6370 6.0516 6.0539 6.1017 6.1042 6.3559 6.3608 6.3896 6.3979 6.7721 6.7786 13.0028 13.0031 13.4855 13.4929 13.6974 13.7015 14.4315 14.4342 14.7375 14.7446 k = 0.3158 0.5789-0.0000 ( 13890 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.4060 -9.4056 -8.8581 -8.8573 -6.9176 -6.9160 -6.9099 -6.9081 -6.6541 -6.6493 -6.0030 -6.0018 -1.1268 -1.1250 0.2305 0.2351 0.6520 0.6597 0.9217 0.9274 1.5657 1.5701 1.9236 1.9266 2.7621 2.7714 3.2044 3.2045 3.7279 3.7349 4.0431 4.0432 4.6956 4.7077 4.7541 4.7561 5.6498 5.6521 6.0319 6.0345 6.1008 6.1036 6.3351 6.3402 6.3885 6.3966 6.7857 6.7920 13.0225 13.0228 13.4752 13.4822 13.6952 13.6992 14.4124 14.4151 14.7598 14.7671 k = 0.2992 0.5789-0.0000 ( 13889 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.3900 -9.3896 -8.8838 -8.8830 -6.9113 -6.9083 -6.8941 -6.8937 -6.6640 -6.6593 -6.0027 -6.0015 -1.1196 -1.1178 0.2089 0.2136 0.6546 0.6622 0.9061 0.9117 1.6013 1.6058 1.8959 1.8991 2.7912 2.8003 3.1996 3.1998 3.7042 3.7112 4.0654 4.0656 4.6773 4.6888 4.7773 4.7797 5.6646 5.6668 6.0066 6.0094 6.1018 6.1046 6.3106 6.3156 6.3931 6.4007 6.8005 6.8066 13.0440 13.0446 13.4650 13.4717 13.6996 13.7034 14.3919 14.3946 14.7753 14.7825 k = 0.2826 0.5789-0.0000 ( 13888 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.3754 -9.3750 -8.9077 -8.9070 -6.9055 -6.9018 -6.8775 -6.8768 -6.6729 -6.6683 -6.0040 -6.0028 -1.1113 -1.1095 0.1819 0.1865 0.6562 0.6634 0.8952 0.9006 1.6349 1.6396 1.8694 1.8728 2.8239 2.8330 3.1928 3.1931 3.6781 3.6849 4.0923 4.0926 4.6568 4.6681 4.8017 4.8042 5.6785 5.6804 5.9783 5.9813 6.1026 6.1053 6.2847 6.2895 6.4008 6.4079 6.8163 6.8221 13.0675 13.0685 13.4551 13.4615 13.7106 13.7142 14.3710 14.3738 14.7845 14.7916 k = 0.2660 0.5789-0.0000 ( 13902 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.3623 -9.3618 -8.9298 -8.9291 -6.8998 -6.8958 -6.8601 -6.8589 -6.6808 -6.6764 -6.0067 -6.0055 -1.1018 -1.0999 0.1504 0.1549 0.6554 0.6622 0.8890 0.8940 1.6641 1.6688 1.8481 1.8519 2.8587 2.8675 3.1846 3.1851 3.6500 3.6567 4.1230 4.1235 4.6346 4.6458 4.8269 4.8292 5.6905 5.6924 5.9484 5.9517 6.1026 6.1051 6.2582 6.2626 6.4106 6.4172 6.8328 6.8383 13.0929 13.0944 13.4457 13.4517 13.7278 13.7310 14.3502 14.3530 14.7893 14.7962 k = 0.2494 0.5789-0.0000 ( 13894 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.3507 -9.3503 -8.9500 -8.9493 -6.8944 -6.8901 -6.8422 -6.8405 -6.6873 -6.6831 -6.0111 -6.0099 -1.0908 -1.0889 0.1153 0.1196 0.6518 0.6582 0.8868 0.8913 1.6846 1.6889 1.8380 1.8419 2.8934 2.9020 3.1764 3.1772 3.6203 3.6269 4.1569 4.1576 4.6109 4.6220 4.8526 4.8548 5.6995 5.7015 5.9185 5.9223 6.1017 6.1037 6.2315 6.2353 6.4219 6.4281 6.8498 6.8550 13.1202 13.1222 13.4371 13.4428 13.7505 13.7533 14.3297 14.3324 14.7921 14.7987 k = 0.2327 0.5789-0.0000 ( 13897 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.3407 -9.3403 -8.9682 -8.9675 -6.8892 -6.8847 -6.8244 -6.8220 -6.6920 -6.6882 -6.0172 -6.0158 -1.0784 -1.0765 0.0772 0.0814 0.6459 0.6517 0.8873 0.8912 1.6923 1.6956 1.8445 1.8479 2.9258 2.9340 3.1700 3.1712 3.5896 3.5960 4.1934 4.1943 4.5860 4.5969 4.8786 4.8806 5.7032 5.7058 5.8907 5.8955 6.0997 6.1010 6.2052 6.2082 6.4342 6.4399 6.8671 6.8720 13.1492 13.1517 13.4297 13.4350 13.7780 13.7804 14.3094 14.3120 14.7950 14.8015 k = 0.2161 0.5789-0.0000 ( 13903 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.3323 -9.3319 -8.9845 -8.9838 -6.8842 -6.8795 -6.8075 -6.8043 -6.6941 -6.6908 -6.0248 -6.0235 -1.0643 -1.0624 0.0368 0.0408 0.6382 0.6435 0.8890 0.8924 1.6892 1.6913 1.8657 1.8686 2.9527 2.9600 3.1684 3.1703 3.5582 3.5644 4.2318 4.2329 4.5601 4.5708 4.9047 4.9065 5.6989 5.7026 5.8682 5.8741 6.0963 6.0966 6.1799 6.1819 6.4470 6.4522 6.8846 6.8891 13.1796 13.1827 13.4242 13.4291 13.8094 13.8113 14.2893 14.2918 14.8004 14.8066 k = 0.1995 0.5789-0.0000 ( 13913 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.3255 -9.3251 -8.9987 -8.9981 -6.8795 -6.8747 -6.7931 -6.7888 -6.6923 -6.6895 -6.0342 -6.0328 -1.0485 -1.0466 -0.0054 -0.0017 0.6297 0.6344 0.8906 0.8934 1.6816 1.6828 1.8955 1.8982 2.9703 2.9764 3.1750 3.1779 3.5265 3.5325 4.2716 4.2730 4.5336 4.5441 4.9307 4.9324 5.6843 5.6888 5.8540 5.8607 6.0895 6.0908 6.1564 6.1579 6.4600 6.4647 6.9018 6.9059 13.2106 13.2142 13.4214 13.4257 13.8437 13.8452 14.2695 14.2719 14.8098 14.8157 k = 0.1829 0.5789-0.0000 ( 13914 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.3202 -9.3198 -9.0110 -9.0104 -6.8751 -6.8702 -6.7825 -6.7774 -6.6851 -6.6830 -6.0451 -6.0437 -1.0309 -1.0290 -0.0490 -0.0456 0.6208 0.6250 0.8912 0.8935 1.6742 1.6748 1.9293 1.9318 2.9763 2.9811 3.1917 3.1958 3.4949 3.5006 4.3118 4.3135 4.5073 4.5175 4.9562 4.9578 5.6598 5.6646 5.8484 5.8553 6.0781 6.0814 6.1363 6.1392 6.4728 6.4771 6.9187 6.9224 13.2408 13.2450 13.4226 13.4262 13.8799 13.8809 14.2505 14.2526 14.8243 14.8301 k = 0.1662 0.5789-0.0000 ( 13918 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.3164 -9.3160 -9.0215 -9.0209 -6.8709 -6.8660 -6.7766 -6.7708 -6.6721 -6.6703 -6.0575 -6.0561 -1.0117 -1.0097 -0.0937 -0.0905 0.6121 0.6159 0.8903 0.8922 1.6689 1.6693 1.9647 1.9670 2.9720 2.9757 3.2174 3.2223 3.4639 3.4693 4.3502 4.3525 4.4834 4.4929 4.9810 4.9825 5.6281 5.6328 5.8486 5.8552 6.0617 6.0664 6.1221 6.1263 6.4851 6.4890 6.9349 6.9383 13.2683 13.2730 13.4295 13.4324 13.9167 13.9171 14.2329 14.2348 14.8446 14.8503 k = 0.1496 0.5789-0.0000 ( 13918 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.3138 -9.3134 -9.0301 -9.0296 -6.8669 -6.8621 -6.7744 -6.7684 -6.6542 -6.6528 -6.0712 -6.0699 -0.9907 -0.9888 -0.1388 -0.1358 0.6040 0.6073 0.8879 0.8894 1.6665 1.6669 2.0003 2.0026 2.9604 2.9633 3.2487 3.2542 3.4339 3.4389 4.3801 4.3838 4.4687 4.4763 5.0046 5.0060 5.5923 5.5967 5.8517 5.8578 6.0420 6.0469 6.1135 6.1181 6.4968 6.5003 6.9503 6.9533 13.2905 13.2956 13.4441 13.4464 13.9519 13.9522 14.2183 14.2198 14.8697 14.8757 k = 0.1330 0.5789-0.0000 ( 13930 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.3123 -9.3119 -9.0371 -9.0367 -6.8633 -6.8585 -6.7746 -6.7687 -6.6332 -6.6320 -6.0861 -6.0848 -0.9681 -0.9662 -0.1840 -0.1812 0.5965 0.5994 0.8840 0.8852 1.6669 1.6674 2.0355 2.0376 2.9444 2.9468 3.2827 3.2883 3.4053 3.4100 4.3852 4.3914 4.4797 4.4835 5.0263 5.0278 5.5548 5.5589 5.8553 5.8607 6.0215 6.0262 6.1082 6.1127 6.5076 6.5107 6.9647 6.9673 13.3062 13.3113 13.4671 13.4689 13.9828 13.9838 14.2091 14.2104 14.8841 14.8899 k = 0.1164 0.5789-0.0000 ( 13925 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.3116 -9.3113 -9.0428 -9.0423 -6.8599 -6.8553 -6.7760 -6.7704 -6.6105 -6.6096 -6.1019 -6.1007 -0.9442 -0.9424 -0.2286 -0.2260 0.5898 0.5923 0.8791 0.8800 1.6697 1.6703 2.0693 2.0713 2.9261 2.9282 3.3171 3.3226 3.3787 3.3830 4.3687 4.3758 4.5128 4.5144 5.0456 5.0472 5.5176 5.5214 5.8577 5.8625 6.0025 6.0067 6.1045 6.1086 6.5175 6.5202 6.9778 6.9801 13.3161 13.3208 13.4968 13.4982 14.0063 14.0080 14.2087 14.2099 14.8532 14.8563 k = 0.0997 0.5789-0.0000 ( 13926 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.3116 -9.3114 -9.0471 -9.0468 -6.8567 -6.8525 -6.7779 -6.7728 -6.5875 -6.5868 -6.1181 -6.1170 -0.9195 -0.9177 -0.2719 -0.2696 0.5840 0.5861 0.8736 0.8744 1.6741 1.6748 2.1012 2.1030 2.9071 2.9088 3.3482 3.3528 3.3568 3.3609 4.3462 4.3532 4.5519 4.5528 5.0617 5.0633 5.4823 5.4858 5.8578 5.8619 5.9865 5.9903 6.1018 6.1054 6.5262 6.5285 6.9896 6.9916 13.3221 13.3263 13.5300 13.5313 14.0197 14.0219 14.2200 14.2213 14.8109 14.8134 k = 0.0831 0.5789-0.0000 ( 13940 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.3120 -9.3118 -9.0505 -9.0501 -6.8539 -6.8501 -6.7800 -6.7754 -6.5650 -6.5645 -6.1343 -6.1333 -0.8943 -0.8927 -0.3131 -0.3110 0.5791 0.5809 0.8681 0.8687 1.6795 1.6801 2.1305 2.1320 2.8885 2.8899 3.3324 3.3358 3.3818 3.3867 4.3237 4.3300 4.5914 4.5919 5.0736 5.0753 5.4504 5.4536 5.8550 5.8584 5.9747 5.9779 6.0996 6.1027 6.5337 6.5356 6.9998 7.0014 13.3259 13.3294 13.5638 13.5650 14.0236 14.0259 14.2426 14.2440 14.7659 14.7681 k = 0.0665 0.5789-0.0000 ( 13929 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.3127 -9.3125 -9.0529 -9.0527 -6.8514 -6.8481 -6.7818 -6.7779 -6.5442 -6.5438 -6.1498 -6.1488 -0.8698 -0.8683 -0.3511 -0.3493 0.5751 0.5765 0.8630 0.8634 1.6850 1.6856 2.1563 2.1576 2.8713 2.8724 3.3144 3.3172 3.4091 3.4133 4.3031 4.3084 4.6286 4.6291 5.0809 5.0825 5.4236 5.4264 5.8497 5.8523 5.9670 5.9698 6.0979 6.1005 6.5400 6.5415 7.0084 7.0097 13.3284 13.3313 13.5954 13.5966 14.0215 14.0236 14.2730 14.2743 14.7202 14.7222 k = 0.0499 0.5789-0.0000 ( 13933 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.3134 -9.3132 -9.0547 -9.0545 -6.8493 -6.8467 -6.7832 -6.7801 -6.5260 -6.5257 -6.1635 -6.1628 -0.8471 -0.8459 -0.3842 -0.3828 0.5721 0.5731 0.8586 0.8589 1.6901 1.6906 2.1777 2.1787 2.8565 2.8574 3.2999 3.3021 3.4320 3.4353 4.2857 4.2900 4.6616 4.6621 5.0835 5.0850 5.4030 5.4052 5.8431 5.8450 5.9629 5.9651 6.0967 6.0987 6.5450 6.5461 7.0152 7.0162 13.3301 13.3324 13.6228 13.6237 14.0171 14.0187 14.3068 14.3078 14.6758 14.6774 k = 0.0332 0.5789-0.0000 ( 13920 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.3139 -9.3139 -9.0558 -9.0557 -6.8476 -6.8458 -6.7841 -6.7820 -6.5116 -6.5114 -6.1746 -6.1741 -0.8282 -0.8273 -0.4106 -0.4095 0.5699 0.5707 0.8553 0.8555 1.6942 1.6945 2.1939 2.1946 2.8451 2.8457 3.2895 3.2909 3.4493 3.4517 4.2728 4.2757 4.6881 4.6885 5.0827 5.0838 5.3889 5.3905 5.8369 5.8382 5.9611 5.9626 6.0959 6.0972 6.5486 6.5494 7.0202 7.0208 13.3314 13.3329 13.6440 13.6446 14.0126 14.0137 14.3396 14.3403 14.6358 14.6370 k = 0.0166 0.5789-0.0000 ( 13917 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.3143 -9.3143 -9.0564 -9.0564 -6.8464 -6.8454 -6.7845 -6.7834 -6.5023 -6.5022 -6.1818 -6.1816 -0.8154 -0.8149 -0.4278 -0.4272 0.5687 0.5691 0.8532 0.8533 1.6968 1.6970 2.2041 2.2045 2.8380 2.8383 3.2832 3.2840 3.4604 3.4616 4.2649 4.2665 4.7055 4.7057 5.0807 5.0813 5.3810 5.3819 5.8328 5.8334 5.9605 5.9613 6.0955 6.0962 6.5509 6.5512 7.0232 7.0236 13.3324 13.3331 13.6574 13.6578 14.0096 14.0102 14.3655 14.3659 14.6057 14.6064 k = 0.0000 0.5789-0.0000 ( 13916 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.3144 -9.3144 -9.0566 -9.0566 -6.8456 -6.8456 -6.7842 -6.7842 -6.4991 -6.4991 -6.1843 -6.1843 -0.8106 -0.8106 -0.4336 -0.4336 0.5685 0.5685 0.8526 0.8526 1.6978 1.6978 2.2077 2.2077 2.8356 2.8356 3.2814 3.2814 3.4646 3.4646 4.2628 4.2628 4.7117 4.7117 5.0799 5.0799 5.3788 5.3788 5.8315 5.8315 5.9607 5.9607 6.0956 6.0956 6.5517 6.5517 7.0244 7.0244 13.3329 13.3329 13.6621 13.6621 14.0087 14.0087 14.3761 14.3761 14.5941 14.5941 k = 0.0000 0.5789-0.0000 ( 13916 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.3144 -9.3144 -9.0566 -9.0566 -6.8456 -6.8456 -6.7842 -6.7842 -6.4991 -6.4991 -6.1843 -6.1843 -0.8106 -0.8106 -0.4336 -0.4336 0.5685 0.5685 0.8526 0.8526 1.6978 1.6978 2.2077 2.2077 2.8356 2.8356 3.2814 3.2814 3.4646 3.4646 4.2628 4.2628 4.7117 4.7117 5.0799 5.0799 5.3788 5.3788 5.8315 5.8315 5.9607 5.9607 6.0956 6.0956 6.5517 6.5517 7.0244 7.0244 13.3329 13.3329 13.6621 13.6621 14.0087 14.0087 14.3761 14.3761 14.5941 14.5941 k = 0.0000 0.5789 0.0169 ( 13922 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.3135 -9.3135 -9.0557 -9.0557 -6.8492 -6.8489 -6.7863 -6.7862 -6.4975 -6.4971 -6.1841 -6.1841 -0.8109 -0.8108 -0.4328 -0.4325 0.5720 0.5721 0.8538 0.8538 1.6965 1.6968 2.2055 2.2058 2.8363 2.8367 3.2812 3.2815 3.4650 3.4652 4.2629 4.2630 4.7099 4.7101 5.0806 5.0809 5.3777 5.3778 5.8250 5.8258 5.9673 5.9681 6.0963 6.0964 6.5531 6.5531 7.0239 7.0240 13.3277 13.3279 13.6604 13.6604 14.0084 14.0085 14.3750 14.3751 14.5919 14.5921 k = 0.0000 0.5789 0.0337 ( 13914 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.3107 -9.3107 -9.0530 -9.0529 -6.8596 -6.8590 -6.7924 -6.7922 -6.4927 -6.4920 -6.1836 -6.1836 -0.8117 -0.8116 -0.4302 -0.4296 0.5826 0.5828 0.8574 0.8576 1.6930 1.6937 2.1991 2.1998 2.8388 2.8396 3.2808 3.2815 3.4664 3.4667 4.2632 4.2634 4.7046 4.7050 5.0829 5.0834 5.3747 5.3749 5.8096 5.8110 5.9848 5.9863 6.0983 6.0985 6.5571 6.5571 7.0227 7.0228 13.3126 13.3129 13.6551 13.6551 14.0074 14.0076 14.3718 14.3719 14.5854 14.5859 k = 0.0000 0.5789 0.0506 ( 13916 PWs) bands (ev): -36.1608 -36.1608 -36.1495 -36.1495 -9.3060 -9.3060 -9.0484 -9.0483 -6.8761 -6.8753 -6.8025 -6.8022 -6.4851 -6.4841 -6.1829 -6.1828 -0.8128 -0.8127 -0.4259 -0.4250 0.6001 0.6004 0.8633 0.8635 1.6877 1.6888 2.1888 2.1898 2.8431 2.8442 3.2805 3.2815 3.4687 3.4691 4.2637 4.2639 4.6959 4.6965 5.0868 5.0874 5.3696 5.3699 5.7904 5.7919 6.0083 6.0100 6.1018 6.1020 6.5638 6.5639 7.0207 7.0208 13.2883 13.2887 13.6466 13.6467 14.0053 14.0057 14.3660 14.3662 14.5753 14.5759 k = 0.0000 0.5789 0.0674 ( 13920 PWs) bands (ev): -36.1608 -36.1608 -36.1495 -36.1495 -9.2995 -9.2995 -9.0419 -9.0419 -6.8981 -6.8971 -6.8164 -6.8160 -6.4754 -6.4741 -6.1819 -6.1818 -0.8143 -0.8141 -0.4198 -0.4187 0.6243 0.6246 0.8710 0.8713 1.6810 1.6824 2.1748 2.1761 2.8490 2.8505 3.2803 3.2815 3.4716 3.4721 4.2640 4.2644 4.6841 4.6848 5.0921 5.0929 5.3625 5.3629 5.7702 5.7719 6.0343 6.0361 6.1065 6.1069 6.5732 6.5733 7.0179 7.0180 13.2559 13.2564 13.6352 13.6353 14.0019 14.0023 14.3571 14.3573 14.5623 14.5631 k = 0.0000 0.5789 0.0843 ( 13924 PWs) bands (ev): -36.1607 -36.1607 -36.1496 -36.1496 -9.2910 -9.2910 -9.0336 -9.0336 -6.9247 -6.9236 -6.8341 -6.8336 -6.4642 -6.4628 -6.1807 -6.1806 -0.8158 -0.8155 -0.4122 -0.4108 0.6548 0.6551 0.8802 0.8806 1.6737 1.6754 2.1572 2.1588 2.8567 2.8585 3.2803 3.2818 3.4750 3.4755 4.2640 4.2643 4.6693 4.6701 5.0985 5.0996 5.3536 5.3541 5.7506 5.7523 6.0611 6.0629 6.1127 6.1131 6.5854 6.5855 7.0143 7.0144 13.2168 13.2175 13.6214 13.6216 13.9965 13.9970 14.3446 14.3449 14.5475 14.5485 k = 0.0000 0.5789 0.1011 ( 13926 PWs) bands (ev): -36.1607 -36.1607 -36.1496 -36.1496 -9.2808 -9.2808 -9.0235 -9.0234 -6.9555 -6.9543 -6.8553 -6.8548 -6.4522 -6.4506 -6.1794 -6.1792 -0.8172 -0.8169 -0.4030 -0.4014 0.6911 0.6915 0.8902 0.8906 1.6667 1.6687 2.1365 2.1384 2.8660 2.8681 3.2807 3.2824 3.4785 3.4791 4.2630 4.2634 4.6520 4.6528 5.1060 5.1072 5.3428 5.3434 5.7323 5.7340 6.0875 6.0894 6.1202 6.1206 6.6003 6.6003 7.0099 7.0101 13.1725 13.1733 13.6055 13.6058 13.9886 13.9890 14.3284 14.3287 14.5321 14.5333 k = 0.0000 0.5789 0.1180 ( 13924 PWs) bands (ev): -36.1606 -36.1606 -36.1497 -36.1497 -9.2686 -9.2686 -9.0116 -9.0115 -6.9897 -6.9884 -6.8799 -6.8794 -6.4397 -6.4381 -6.1780 -6.1778 -0.8182 -0.8178 -0.3925 -0.3906 0.7327 0.7332 0.9001 0.9005 1.6610 1.6633 2.1131 2.1152 2.8769 2.8792 3.2816 3.2834 3.4821 3.4828 4.2608 4.2611 4.6325 4.6333 5.1142 5.1155 5.3303 5.3309 5.7155 5.7172 6.1128 6.1147 6.1294 6.1298 6.6178 6.6178 7.0047 7.0049 13.1244 13.1253 13.5881 13.5886 13.9776 13.9780 14.3084 14.3087 14.5174 14.5187 k = 0.0000 0.5789 0.1348 ( 13926 PWs) bands (ev): -36.1605 -36.1605 -36.1498 -36.1498 -9.2547 -9.2547 -8.9979 -8.9978 -7.0270 -7.0257 -6.9078 -6.9072 -6.4271 -6.4254 -6.1766 -6.1764 -0.8187 -0.8183 -0.3809 -0.3787 0.7791 0.7796 0.9091 0.9094 1.6580 1.6605 2.0874 2.0897 2.8892 2.8918 3.2829 3.2848 3.4857 3.4863 4.2567 4.2569 4.6115 4.6123 5.1226 5.1241 5.3162 5.3169 5.7002 5.7020 6.1348 6.1365 6.1420 6.1425 6.6377 6.6377 6.9987 6.9990 13.0739 13.0749 13.5696 13.5704 13.9632 13.9635 14.2849 14.2852 14.5044 14.5059 k = 0.0000 0.5789 0.1517 ( 13924 PWs) bands (ev): -36.1604 -36.1604 -36.1499 -36.1499 -9.2389 -9.2389 -8.9824 -8.9823 -7.0670 -7.0657 -6.9386 -6.9380 -6.4145 -6.4128 -6.1752 -6.1751 -0.8184 -0.8179 -0.3681 -0.3658 0.8295 0.8301 0.9160 0.9163 1.6589 1.6616 2.0600 2.0625 2.9031 2.9059 3.2846 3.2867 3.4890 3.4896 4.2500 4.2501 4.5896 4.5903 5.1309 5.1323 5.3007 5.3014 5.6864 5.6882 6.1490 6.1501 6.1624 6.1636 6.6597 6.6598 6.9920 6.9923 13.0222 13.0234 13.5507 13.5517 13.9454 13.9455 14.2583 14.2585 14.4942 14.4957 k = 0.0000 0.5789 0.1685 ( 13908 PWs) bands (ev): -36.1602 -36.1602 -36.1500 -36.1500 -9.2213 -9.2213 -8.9651 -8.9649 -7.1094 -7.1082 -6.9723 -6.9717 -6.4022 -6.4004 -6.1739 -6.1738 -0.8171 -0.8166 -0.3546 -0.3522 0.8831 0.8837 0.9200 0.9203 1.6650 1.6679 2.0316 2.0343 2.9183 2.9213 3.2866 3.2887 3.4923 3.4929 4.2400 4.2401 4.5677 4.5681 5.1383 5.1398 5.2841 5.2847 5.6736 5.6754 6.1623 6.1633 6.1837 6.1849 6.6836 6.6838 6.9845 6.9848 12.9706 12.9719 13.5317 13.5330 13.9241 13.9241 14.2291 14.2293 14.4871 14.4888 k = 0.0000 0.5789 0.1854 ( 13900 PWs) bands (ev): -36.1601 -36.1601 -36.1502 -36.1502 -9.2019 -9.2019 -8.9460 -8.9459 -7.1540 -7.1528 -7.0086 -7.0080 -6.3902 -6.3884 -6.1728 -6.1727 -0.8147 -0.8142 -0.3404 -0.3379 0.9196 0.9199 0.9395 0.9402 1.6775 1.6805 2.0030 2.0059 2.9350 2.9381 3.2888 3.2910 3.4955 3.4960 4.2260 4.2263 4.5465 4.5467 5.1441 5.1456 5.2666 5.2672 5.6617 5.6635 6.1769 6.1779 6.2040 6.2051 6.7090 6.7092 6.9762 6.9766 12.9201 12.9214 13.5132 13.5147 13.8997 13.8999 14.1979 14.1981 14.4836 14.4853 k = 0.0000 0.5789 0.2023 ( 13900 PWs) bands (ev): -36.1600 -36.1600 -36.1503 -36.1503 -9.1807 -9.1807 -8.9253 -8.9251 -7.2005 -7.1994 -7.0474 -7.0468 -6.3785 -6.3767 -6.1718 -6.1718 -0.8111 -0.8105 -0.3259 -0.3232 0.9155 0.9157 0.9965 0.9972 1.6971 1.7002 1.9752 1.9782 2.9529 2.9562 3.2910 3.2932 3.4987 3.4993 4.2074 4.2081 4.5265 4.5267 5.1474 5.1488 5.2490 5.2493 5.6500 5.6519 6.1931 6.1940 6.2231 6.2241 6.7354 6.7357 6.9673 6.9677 12.8715 12.8729 13.4955 13.4973 13.8728 13.8733 14.1654 14.1655 14.4833 14.4851 k = 0.0000 0.5789 0.2191 ( 13896 PWs) bands (ev): -36.1598 -36.1598 -36.1505 -36.1505 -9.1577 -9.1577 -8.9028 -8.9026 -7.2487 -7.2477 -7.0884 -7.0877 -6.3672 -6.3654 -6.1711 -6.1710 -0.8060 -0.8055 -0.3112 -0.3084 0.9067 0.9069 1.0535 1.0543 1.7242 1.7274 1.9495 1.9526 2.9722 2.9755 3.2930 3.2951 3.5023 3.5028 4.1842 4.1852 4.5082 4.5087 5.1471 5.1482 5.2320 5.2320 5.6383 5.6402 6.2111 6.2120 6.2413 6.2422 6.7624 6.7628 6.9576 6.9581 12.8258 12.8273 13.4789 13.4810 13.8443 13.8449 14.1320 14.1320 14.4861 14.4880 k = 0.0000 0.5789 0.2360 ( 13900 PWs) bands (ev): -36.1596 -36.1596 -36.1506 -36.1506 -9.1330 -9.1330 -8.8786 -8.8784 -7.2985 -7.2975 -7.1314 -7.1307 -6.3563 -6.3545 -6.1705 -6.1705 -0.7995 -0.7990 -0.2966 -0.2938 0.8937 0.8939 1.1084 1.1093 1.7586 1.7618 1.9275 1.9307 2.9927 2.9962 3.2945 3.2966 3.5063 3.5067 4.1561 4.1574 4.4920 4.4929 5.1416 5.1422 5.2164 5.2167 5.6260 5.6280 6.2309 6.2318 6.2587 6.2594 6.7895 6.7899 6.9473 6.9478 12.7836 12.7852 13.4638 13.4662 13.8147 13.8156 14.0982 14.0984 14.4916 14.4935 k = 0.0000 0.5789 0.2528 ( 13900 PWs) bands (ev): -36.1595 -36.1595 -36.1508 -36.1508 -9.1066 -9.1066 -8.8527 -8.8525 -7.3497 -7.3487 -7.1762 -7.1755 -6.3458 -6.3440 -6.1703 -6.1702 -0.7915 -0.7909 -0.2823 -0.2796 0.8773 0.8773 1.1591 1.1602 1.7999 1.8031 1.9114 1.9147 3.0145 3.0180 3.2952 3.2972 3.5110 3.5114 4.1236 4.1252 4.4780 4.4791 5.1299 5.1301 5.2030 5.2039 5.6128 5.6149 6.2526 6.2535 6.2754 6.2760 6.8164 6.8168 6.9364 6.9370 12.7457 12.7472 13.4502 13.4528 13.7850 13.7861 14.0646 14.0648 14.4992 14.5011 k = 0.0000 0.5789 0.2697 ( 13904 PWs) bands (ev): -36.1593 -36.1593 -36.1510 -36.1510 -9.0785 -9.0785 -8.8253 -8.8250 -7.4020 -7.4011 -7.2227 -7.2220 -6.3357 -6.3340 -6.1702 -6.1701 -0.7819 -0.7813 -0.2688 -0.2661 0.8582 0.8582 1.2028 1.2040 1.8474 1.8505 1.9037 1.9070 3.0374 3.0410 3.2950 3.2969 3.5166 3.5169 4.0871 4.0889 4.4657 4.4671 5.1121 5.1123 5.1916 5.1929 5.5983 5.6004 6.2762 6.2772 6.2919 6.2922 6.8424 6.8430 6.9249 6.9256 12.7124 12.7140 13.4381 13.4410 13.7557 13.7571 14.0315 14.0319 14.5085 14.5103 k = 0.0000 0.5789 0.2865 ( 13896 PWs) bands (ev): -36.1591 -36.1591 -36.1512 -36.1512 -9.0487 -9.0487 -8.7962 -8.7960 -7.4553 -7.4544 -7.2706 -7.2699 -6.3260 -6.3243 -6.1705 -6.1703 -0.7707 -0.7701 -0.2563 -0.2537 0.8374 0.8375 1.2365 1.2379 1.8996 1.9022 1.9083 1.9111 3.0616 3.0653 3.2937 3.2955 3.5231 3.5233 4.0471 4.0490 4.4551 4.4566 5.0898 5.0902 5.1806 5.1822 5.5821 5.5843 6.3008 6.3021 6.3087 6.3089 6.8673 6.8680 6.9130 6.9138 12.6843 12.6859 13.4272 13.4303 13.7279 13.7294 13.9994 13.9999 14.5189 14.5207 k = 0.0000 0.5789 0.3034 ( 13914 PWs) bands (ev): -36.1589 -36.1589 -36.1514 -36.1514 -9.0173 -9.0173 -8.7656 -8.7653 -7.5094 -7.5086 -7.3197 -7.3191 -6.3166 -6.3149 -6.1710 -6.1708 -0.7579 -0.7572 -0.2453 -0.2427 0.8159 0.8162 1.2579 1.2595 1.9237 1.9266 1.9580 1.9607 3.0869 3.0906 3.2911 3.2928 3.5305 3.5307 4.0042 4.0062 4.4458 4.4474 5.0642 5.0648 5.1690 5.1708 5.5640 5.5662 6.3212 6.3220 6.3317 6.3318 6.8902 6.8912 6.9010 6.9022 12.6617 12.6633 13.4169 13.4202 13.7023 13.7039 13.9685 13.9691 14.5298 14.5316 k = 0.0000 0.5789 0.3202 ( 13922 PWs) bands (ev): -36.1587 -36.1587 -36.1516 -36.1516 -8.9843 -8.9842 -8.7335 -8.7332 -7.5642 -7.5634 -7.3700 -7.3693 -6.3076 -6.3060 -6.1718 -6.1715 -0.7434 -0.7427 -0.2360 -0.2336 0.7949 0.7953 1.2661 1.2680 1.9545 1.9572 2.0187 2.0214 3.1134 3.1171 3.2872 3.2889 3.5388 3.5390 3.9589 3.9609 4.4376 4.4393 5.0359 5.0366 5.1564 5.1583 5.5438 5.5462 6.3374 6.3378 6.3601 6.3604 6.8880 6.8884 6.9133 6.9135 12.6449 12.6465 13.4064 13.4097 13.6801 13.6818 13.9392 13.9399 14.5409 14.5425 k = 0.0000 0.5789 0.3371 ( 13916 PWs) bands (ev): -36.1585 -36.1585 -36.1518 -36.1518 -8.9497 -8.9496 -8.7000 -8.6997 -7.6194 -7.6187 -7.4211 -7.4205 -6.2990 -6.2973 -6.1728 -6.1726 -0.7273 -0.7267 -0.2289 -0.2267 0.7751 0.7757 1.2620 1.2642 1.9981 2.0007 2.0821 2.0848 3.1409 3.1447 3.2820 3.2836 3.5478 3.5481 3.9116 3.9136 4.4303 4.4320 5.0052 5.0059 5.1429 5.1448 5.5215 5.5239 6.3529 6.3533 6.3903 6.3907 6.8756 6.8761 6.9326 6.9330 12.6341 12.6357 13.3944 13.3977 13.6624 13.6639 13.9116 13.9125 14.5514 14.5529 k = 0.0000 0.5789 0.3540 ( 13920 PWs) bands (ev): -36.1582 -36.1582 -36.1520 -36.1520 -8.9136 -8.9135 -8.6651 -8.6648 -7.6750 -7.6743 -7.4730 -7.4723 -6.2906 -6.2890 -6.1742 -6.1739 -0.7097 -0.7090 -0.2245 -0.2224 0.7575 0.7583 1.2477 1.2501 2.0522 2.0546 2.1473 2.1499 3.1696 3.1734 3.2757 3.2772 3.5573 3.5576 3.8627 3.8646 4.4240 4.4257 4.9721 4.9728 5.1290 5.1310 5.4970 5.4995 6.3684 6.3686 6.4213 6.4216 6.8634 6.8640 6.9498 6.9502 12.6293 12.6309 13.3799 13.3830 13.6501 13.6515 13.8861 13.8871 14.5610 14.5622 k = 0.0000 0.5789 0.3708 ( 13926 PWs) bands (ev): -36.1580 -36.1580 -36.1523 -36.1523 -8.8760 -8.8759 -8.6290 -8.6286 -7.7306 -7.7300 -7.5254 -7.5247 -6.2825 -6.2810 -6.1758 -6.1755 -0.6906 -0.6899 -0.2230 -0.2212 0.7429 0.7440 1.2255 1.2282 2.1141 2.1162 2.2134 2.2159 3.1992 3.2029 3.2682 3.2696 3.5669 3.5673 3.8125 3.8142 4.4187 4.4203 4.9366 4.9371 5.1155 5.1176 5.4704 5.4730 6.3839 6.3840 6.4524 6.4527 6.8518 6.8524 6.9644 6.9648 12.6306 12.6322 13.3618 13.3646 13.6439 13.6449 13.8627 13.8638 14.5690 14.5698 k = 0.0000 0.5789 0.3877 ( 13924 PWs) bands (ev): -36.1578 -36.1578 -36.1525 -36.1525 -8.8370 -8.8369 -8.5917 -8.5914 -7.7862 -7.7856 -7.5782 -7.5776 -6.2748 -6.2733 -6.1777 -6.1773 -0.6700 -0.6693 -0.2248 -0.2232 0.7319 0.7332 1.1977 1.2005 2.1811 2.1831 2.2795 2.2818 3.2297 3.2332 3.2600 3.2612 3.5762 3.5768 3.7612 3.7628 4.4144 4.4159 4.8986 4.8991 5.1030 5.1052 5.4420 5.4446 6.3994 6.3995 6.4828 6.4831 6.8414 6.8420 6.9761 6.9765 12.6379 12.6394 13.3396 13.3420 13.6437 13.6442 13.8416 13.8428 14.5750 14.5753 k = 0.0000 0.5789 0.4045 ( 13918 PWs) bands (ev): -36.1575 -36.1575 -36.1527 -36.1527 -8.7967 -8.7966 -8.5535 -8.5531 -7.8413 -7.8408 -7.6312 -7.6306 -6.2673 -6.2659 -6.1800 -6.1795 -0.6480 -0.6473 -0.2300 -0.2287 0.7250 0.7266 1.1661 1.1690 2.2512 2.2531 2.3447 2.3468 3.2495 3.2516 3.2612 3.2656 3.5848 3.5857 3.7093 3.7106 4.4115 4.4129 4.8585 4.8588 5.0923 5.0945 5.4119 5.4146 6.4150 6.4151 6.5115 6.5118 6.8328 6.8334 6.9848 6.9852 12.6509 12.6523 13.3133 13.3154 13.6486 13.6487 13.8229 13.8241 14.5781 14.5786 k = 0.0000 0.5789 0.4214 ( 13908 PWs) bands (ev): -36.1572 -36.1572 -36.1530 -36.1530 -8.7550 -8.7549 -8.5145 -8.5142 -7.8957 -7.8953 -7.6842 -7.6836 -6.2602 -6.2588 -6.1824 -6.1819 -0.6247 -0.6240 -0.2388 -0.2377 0.7226 0.7244 1.1319 1.1349 2.3224 2.3241 2.4080 2.4100 3.2403 3.2421 3.2925 3.2964 3.5923 3.5934 3.6571 3.6582 4.4102 4.4114 4.8164 4.8167 5.0841 5.0864 5.3805 5.3834 6.4307 6.4308 6.5371 6.5374 6.8269 6.8275 6.9903 6.9907 12.6694 12.6708 13.2834 13.2850 13.6572 13.6574 13.8065 13.8079 14.5772 14.5784 k = 0.0000 0.5789 0.4382 ( 13900 PWs) bands (ev): -36.1570 -36.1570 -36.1532 -36.1532 -8.7122 -8.7121 -8.4753 -8.4750 -7.9490 -7.9485 -7.7371 -7.7366 -6.2533 -6.2519 -6.1852 -6.1846 -0.6002 -0.5995 -0.2510 -0.2502 0.7247 0.7267 1.0962 1.0993 2.3931 2.3947 2.4685 2.4703 3.2306 3.2324 3.3238 3.3273 3.5978 3.5983 3.6063 3.6066 4.4107 4.4117 4.7732 4.7732 5.0787 5.0811 5.3483 5.3512 6.4465 6.4466 6.5584 6.5586 6.8249 6.8255 6.9927 6.9930 12.6931 12.6944 13.2501 13.2515 13.6683 13.6689 13.7925 13.7939 14.5705 14.5708 k = 0.0000 0.5789 0.4551 ( 13898 PWs) bands (ev): -36.1567 -36.1567 -36.1535 -36.1535 -8.6683 -8.6682 -8.4366 -8.4362 -8.0002 -7.9998 -7.7897 -7.7892 -6.2466 -6.2454 -6.1883 -6.1877 -0.5747 -0.5740 -0.2666 -0.2660 0.7314 0.7337 1.0597 1.0629 2.4617 2.4632 2.5253 2.5269 3.2213 3.2231 3.3535 3.3563 3.5554 3.5555 3.6017 3.6038 4.4136 4.4143 4.7293 4.7293 5.0767 5.0791 5.3158 5.3187 6.4623 6.4625 6.5739 6.5741 6.8278 6.8283 6.9917 6.9921 12.7215 12.7227 13.2140 13.2151 13.6809 13.6817 13.7806 13.7821 14.5634 14.5637 k = 0.0000 0.5789 0.4719 ( 13892 PWs) bands (ev): -36.1565 -36.1565 -36.1538 -36.1538 -8.6235 -8.6234 -8.3997 -8.3994 -8.0479 -8.0476 -7.8417 -7.8412 -6.2403 -6.2391 -6.1916 -6.1909 -0.5482 -0.5476 -0.2851 -0.2848 0.7426 0.7450 1.0231 1.0263 2.5265 2.5278 2.5771 2.5785 3.2134 3.2153 3.3777 3.3791 3.5107 3.5122 3.6025 3.6049 4.4191 4.4196 4.6855 4.6857 5.0783 5.0808 5.2834 5.2864 6.4781 6.4783 6.5829 6.5830 6.8360 6.8364 6.9875 6.9878 12.7541 12.7553 13.1754 13.1764 13.6937 13.6947 13.7708 13.7724 14.5577 14.5584 k = 0.0000 0.5789 0.4888 ( 13894 PWs) bands (ev): -36.1562 -36.1562 -36.1540 -36.1540 -8.5780 -8.5778 -8.3676 -8.3674 -8.0892 -8.0890 -7.8929 -7.8924 -6.2342 -6.2330 -6.1953 -6.1945 -0.5210 -0.5204 -0.3063 -0.3061 0.7579 0.7605 0.9868 0.9901 2.5853 2.5865 2.6229 2.6240 3.2081 3.2101 3.3831 3.3844 3.4839 3.4881 3.6000 3.6028 4.4278 4.4281 4.6430 4.6433 5.0836 5.0862 5.2517 5.2547 6.4939 6.4941 6.5854 6.5854 6.8491 6.8494 6.9801 6.9804 12.7904 12.7914 13.1347 13.1356 13.7057 13.7070 13.7628 13.7644 14.5534 14.5547 k = 0.0000 0.5789 0.5056 ( 13894 PWs) bands (ev): -36.1559 -36.1559 -36.1543 -36.1543 -8.5321 -8.5319 -8.3464 -8.3462 -8.1180 -8.1179 -7.9429 -7.9424 -6.2284 -6.2273 -6.1992 -6.1984 -0.4932 -0.4927 -0.3297 -0.3296 0.7770 0.7798 0.9514 0.9546 2.6358 2.6368 2.6611 2.6619 3.2073 3.2094 3.3580 3.3606 3.4882 3.4936 3.5938 3.5971 4.4400 4.4402 4.6026 4.6030 5.0928 5.0955 5.2213 5.2243 6.5094 6.5096 6.5824 6.5825 6.8659 6.8661 6.9697 6.9699 12.8297 12.8307 13.0923 13.0931 13.7165 13.7179 13.7561 13.7578 14.5505 14.5523 k = 0.0000 0.5789 0.5225 ( 13878 PWs) bands (ev): -36.1556 -36.1556 -36.1546 -36.1546 -8.4863 -8.4861 -8.3447 -8.3447 -8.1256 -8.1255 -7.9912 -7.9907 -6.2228 -6.2218 -6.2034 -6.2025 -0.4651 -0.4646 -0.3549 -0.3548 0.7996 0.8026 0.9171 0.9203 2.6752 2.6760 2.6901 2.6905 3.2129 3.2151 3.3202 3.3228 3.5082 3.5134 3.5837 3.5874 4.4563 4.4564 4.5652 4.5655 5.1059 5.1087 5.1927 5.1957 6.5246 6.5248 6.5753 6.5754 6.8847 6.8849 6.9565 6.9567 12.8714 12.8723 13.0486 13.0493 13.7257 13.7272 13.7504 13.7521 14.5488 14.5511 k = 0.0000 0.5789 0.5394 ( 13872 PWs) bands (ev): -36.1554 -36.1554 -36.1548 -36.1548 -8.4416 -8.4414 -8.3651 -8.3650 -8.1096 -8.1093 -8.0366 -8.0362 -6.2176 -6.2165 -6.2078 -6.2069 -0.4369 -0.4365 -0.3815 -0.3812 0.8253 0.8284 0.8845 0.8876 2.7011 2.7016 2.7078 2.7079 3.2271 3.2294 3.2826 3.2850 3.5307 3.5356 3.5696 3.5737 4.4768 4.4770 4.5314 4.5318 5.1226 5.1255 5.1664 5.1694 6.5392 6.5394 6.5651 6.5653 6.9042 6.9043 6.9409 6.9410 12.9148 12.9157 13.0040 13.0048 13.7333 13.7348 13.7451 13.7467 14.5482 14.5504 k = 0.0000 0.5789 0.5562 ( 13876 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.3999 -8.3999 -8.3997 -8.3997 -8.0774 -8.0774 -8.0771 -8.0771 -6.2126 -6.2126 -6.2116 -6.2116 -0.4089 -0.4089 -0.4086 -0.4086 0.8537 0.8537 0.8569 0.8569 2.7119 2.7119 2.7121 2.7121 3.2506 3.2506 3.2530 3.2530 3.5517 3.5517 3.5562 3.5562 4.5019 4.5019 4.5022 4.5022 5.1429 5.1429 5.1459 5.1459 6.5528 6.5528 6.5530 6.5530 6.9233 6.9233 6.9233 6.9233 12.9592 12.9592 12.9600 12.9600 13.7396 13.7396 13.7412 13.7412 14.5487 14.5487 k = 0.0000 0.5789 0.5562 ( 13876 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.3999 -8.3999 -8.3997 -8.3997 -8.0774 -8.0774 -8.0771 -8.0771 -6.2126 -6.2126 -6.2116 -6.2116 -0.4089 -0.4089 -0.4086 -0.4086 0.8537 0.8537 0.8569 0.8569 2.7119 2.7119 2.7121 2.7121 3.2506 3.2506 3.2530 3.2530 3.5517 3.5517 3.5562 3.5562 4.5019 4.5019 4.5022 4.5022 5.1429 5.1429 5.1459 5.1459 6.5528 6.5528 6.5530 6.5530 6.9233 6.9233 6.9233 6.9233 12.9592 12.9592 12.9600 12.9600 13.7396 13.7396 13.7412 13.7412 14.5487 14.5487 k = 0.0166 0.5789 0.5562 ( 13878 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.3994 -8.3994 -8.3993 -8.3993 -8.0777 -8.0777 -8.0773 -8.0773 -6.2131 -6.2131 -6.2121 -6.2121 -0.4068 -0.4068 -0.4064 -0.4064 0.8516 0.8516 0.8547 0.8547 2.7122 2.7122 2.7126 2.7126 3.2494 3.2494 3.2520 3.2520 3.5529 3.5529 3.5576 3.5576 4.5003 4.5003 4.5006 4.5006 5.1463 5.1463 5.1493 5.1493 6.5517 6.5517 6.5521 6.5521 6.9223 6.9223 6.9226 6.9226 12.9593 12.9593 12.9602 12.9602 13.7344 13.7344 13.7361 13.7361 14.5465 14.5465 k = 0.0332 0.5789 0.5562 ( 13900 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.3981 -8.3981 -8.3979 -8.3979 -8.0785 -8.0785 -8.0781 -8.0781 -6.2147 -6.2147 -6.2137 -6.2137 -0.4006 -0.4006 -0.4001 -0.4001 0.8451 0.8451 0.8482 0.8482 2.7132 2.7132 2.7139 2.7139 3.2460 3.2460 3.2492 3.2492 3.5565 3.5565 3.5615 3.5615 4.4957 4.4957 4.4960 4.4960 5.1563 5.1563 5.1593 5.1593 6.5484 6.5484 6.5491 6.5491 6.9197 6.9197 6.9203 6.9203 12.9596 12.9596 12.9606 12.9606 13.7194 13.7194 13.7214 13.7214 14.5399 14.5399 k = 0.0499 0.5789 0.5562 ( 13894 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.3960 -8.3960 -8.3957 -8.3957 -8.0797 -8.0797 -8.0793 -8.0793 -6.2173 -6.2173 -6.2164 -6.2164 -0.3903 -0.3903 -0.3897 -0.3897 0.8343 0.8343 0.8374 0.8374 2.7149 2.7149 2.7159 2.7159 3.2406 3.2406 3.2445 3.2445 3.5624 3.5624 3.5677 3.5677 4.4884 4.4884 4.4887 4.4887 5.1726 5.1726 5.1755 5.1755 6.5430 6.5430 6.5439 6.5439 6.9156 6.9156 6.9165 6.9165 12.9601 12.9601 12.9614 12.9614 13.6957 13.6957 13.6980 13.6980 14.5292 14.5292 k = 0.0665 0.5789 0.5562 ( 13892 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.3930 -8.3930 -8.3927 -8.3927 -8.0814 -8.0814 -8.0809 -8.0809 -6.2210 -6.2210 -6.2200 -6.2200 -0.3759 -0.3759 -0.3752 -0.3752 0.8194 0.8194 0.8225 0.8225 2.7173 2.7173 2.7186 2.7186 3.2336 3.2336 3.2382 3.2382 3.5701 3.5701 3.5759 3.5759 4.4791 4.4791 4.4793 4.4793 5.1946 5.1946 5.1974 5.1974 6.5353 6.5353 6.5365 6.5365 6.9101 6.9101 6.9112 6.9112 12.9609 12.9609 12.9624 12.9624 13.6650 13.6650 13.6676 13.6676 14.5150 14.5150 k = 0.0831 0.5789 0.5562 ( 13886 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.3894 -8.3894 -8.3891 -8.3891 -8.0833 -8.0833 -8.0828 -8.0828 -6.2256 -6.2256 -6.2246 -6.2246 -0.3576 -0.3576 -0.3567 -0.3567 0.8005 0.8005 0.8036 0.8036 2.7203 2.7203 2.7219 2.7219 3.2256 3.2256 3.2307 3.2307 3.5795 3.5795 3.5857 3.5857 4.4681 4.4681 4.4684 4.4684 5.2215 5.2215 5.2242 5.2242 6.5253 6.5253 6.5267 6.5267 6.9033 6.9033 6.9047 6.9047 12.9620 12.9620 12.9639 12.9639 13.6290 13.6290 13.6319 13.6319 14.4976 14.4976 k = 0.0997 0.5789 0.5562 ( 13890 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.3852 -8.3852 -8.3848 -8.3848 -8.0855 -8.0855 -8.0849 -8.0849 -6.2310 -6.2310 -6.2301 -6.2301 -0.3354 -0.3354 -0.3344 -0.3344 0.7778 0.7778 0.7808 0.7808 2.7237 2.7237 2.7256 2.7256 3.2167 3.2167 3.2222 3.2222 3.5900 3.5900 3.5965 3.5965 4.4563 4.4563 4.4566 4.4566 5.2527 5.2527 5.2553 5.2553 6.5127 6.5127 6.5143 6.5143 6.8956 6.8956 6.8972 6.8972 12.9637 12.9637 12.9657 12.9657 13.5895 13.5895 13.5927 13.5927 14.4776 14.4776 k = 0.1164 0.5789 0.5562 ( 13896 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.3807 -8.3807 -8.3802 -8.3802 -8.0877 -8.0877 -8.0870 -8.0870 -6.2372 -6.2372 -6.2363 -6.2363 -0.3096 -0.3096 -0.3085 -0.3085 0.7514 0.7514 0.7544 0.7544 2.7276 2.7276 2.7297 2.7297 3.2073 3.2073 3.2130 3.2130 3.6015 3.6015 3.6082 3.6082 4.4441 4.4441 4.4445 4.4445 5.2875 5.2875 5.2901 5.2901 6.4976 6.4976 6.4993 6.4993 6.8870 6.8870 6.8888 6.8888 12.9658 12.9658 12.9682 12.9682 13.5479 13.5479 13.5513 13.5513 14.4553 14.4553 k = 0.1330 0.5789 0.5562 ( 13898 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.3760 -8.3760 -8.3754 -8.3754 -8.0898 -8.0898 -8.0890 -8.0890 -6.2441 -6.2441 -6.2432 -6.2432 -0.2803 -0.2803 -0.2791 -0.2791 0.7217 0.7217 0.7247 0.7247 2.7317 2.7317 2.7342 2.7342 3.1978 3.1978 3.2036 3.2036 3.6134 3.6134 3.6202 3.6202 4.4319 4.4319 4.4324 4.4324 5.3253 5.3253 5.3277 5.3277 6.4798 6.4798 6.4816 6.4816 6.8779 6.8779 6.8798 6.8798 12.9687 12.9687 12.9713 12.9713 13.5055 13.5055 13.5091 13.5091 14.4314 14.4314 k = 0.1496 0.5789 0.5562 ( 13888 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.3714 -8.3714 -8.3708 -8.3708 -8.0914 -8.0914 -8.0905 -8.0905 -6.2516 -6.2516 -6.2507 -6.2507 -0.2478 -0.2478 -0.2464 -0.2464 0.6888 0.6888 0.6917 0.6917 2.7361 2.7361 2.7388 2.7388 3.1883 3.1883 3.1941 3.1941 3.6255 3.6255 3.6324 3.6324 4.4203 4.4203 4.4209 4.4209 5.3654 5.3654 5.3678 5.3678 6.4592 6.4592 6.4611 6.4611 6.8684 6.8684 6.8703 6.8703 12.9725 12.9725 12.9753 12.9753 13.4632 13.4632 13.4670 13.4670 14.4063 14.4063 k = 0.1662 0.5789 0.5562 ( 13896 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.3673 -8.3673 -8.3666 -8.3666 -8.0922 -8.0922 -8.0913 -8.0913 -6.2595 -6.2595 -6.2587 -6.2587 -0.2122 -0.2122 -0.2107 -0.2107 0.6530 0.6530 0.6560 0.6560 2.7406 2.7406 2.7434 2.7434 3.1790 3.1790 3.1847 3.1847 3.6375 3.6375 3.6444 3.6444 4.4096 4.4096 4.4103 4.4103 5.4074 5.4074 5.4097 5.4097 6.4359 6.4359 6.4379 6.4379 6.8587 6.8587 6.8606 6.8606 12.9773 12.9773 12.9803 12.9803 13.4218 13.4218 13.4258 13.4258 14.3805 14.3805 k = 0.1829 0.5789 0.5562 ( 13896 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.3640 -8.3640 -8.3632 -8.3632 -8.0920 -8.0920 -8.0910 -8.0910 -6.2678 -6.2678 -6.2670 -6.2670 -0.1739 -0.1739 -0.1722 -0.1722 0.6147 0.6147 0.6176 0.6176 2.7451 2.7451 2.7482 2.7482 3.1702 3.1702 3.1757 3.1757 3.6491 3.6491 3.6560 3.6560 4.4000 4.4000 4.4007 4.4007 5.4506 5.4506 5.4528 5.4528 6.4101 6.4101 6.4121 6.4121 6.8489 6.8489 6.8509 6.8509 12.9833 12.9833 12.9866 12.9866 13.3819 13.3819 13.3860 13.3860 14.3545 14.3545 k = 0.1995 0.5789 0.5562 ( 13890 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.3619 -8.3619 -8.3611 -8.3611 -8.0902 -8.0902 -8.0891 -8.0891 -6.2763 -6.2763 -6.2756 -6.2756 -0.1333 -0.1333 -0.1314 -0.1314 0.5742 0.5742 0.5771 0.5771 2.7496 2.7496 2.7528 2.7528 3.1620 3.1620 3.1671 3.1671 3.6601 3.6601 3.6669 3.6669 4.3917 4.3917 4.3925 4.3925 5.4946 5.4946 5.4967 5.4967 6.3819 6.3819 6.3839 6.3839 6.8392 6.8392 6.8411 6.8411 12.9908 12.9908 12.9943 12.9943 13.3437 13.3437 13.3480 13.3480 14.3289 14.3289 k = 0.2161 0.5789 0.5562 ( 13888 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.3615 -8.3615 -8.3606 -8.3606 -8.0865 -8.0865 -8.0854 -8.0854 -6.2849 -6.2849 -6.2842 -6.2842 -0.0907 -0.0907 -0.0887 -0.0887 0.5317 0.5317 0.5346 0.5346 2.7540 2.7540 2.7573 2.7573 3.1545 3.1545 3.1591 3.1591 3.6701 3.6701 3.6768 3.6768 4.3849 4.3849 4.3858 4.3858 5.5388 5.5388 5.5407 5.5407 6.3518 6.3518 6.3537 6.3537 6.8297 6.8297 6.8315 6.8315 13.0000 13.0000 13.0037 13.0037 13.3076 13.3076 13.3120 13.3120 14.3040 14.3040 k = 0.2327 0.5789 0.5562 ( 13886 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.3630 -8.3630 -8.3621 -8.3621 -8.0806 -8.0806 -8.0794 -8.0794 -6.2935 -6.2935 -6.2929 -6.2929 -0.0467 -0.0467 -0.0445 -0.0445 0.4880 0.4880 0.4909 0.4909 2.7583 2.7583 2.7617 2.7617 3.1478 3.1478 3.1519 3.1519 3.6791 3.6791 3.6856 3.6856 4.3798 4.3798 4.3807 4.3807 5.5825 5.5825 5.5843 5.5843 6.3202 6.3202 6.3220 6.3220 6.8204 6.8204 6.8221 6.8221 13.0111 13.0111 13.0149 13.0149 13.2737 13.2737 13.2782 13.2782 14.2803 14.2803 k = 0.2494 0.5789 0.5562 ( 13882 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.3668 -8.3668 -8.3658 -8.3658 -8.0722 -8.0722 -8.0710 -8.0710 -6.3019 -6.3019 -6.3014 -6.3014 -0.0021 -0.0021 0.0002 0.0002 0.4437 0.4437 0.4466 0.4466 2.7624 2.7624 2.7659 2.7659 3.1421 3.1421 3.1457 3.1457 3.6867 3.6867 3.6930 3.6930 4.3764 4.3764 4.3774 4.3774 5.6250 5.6250 5.6267 5.6267 6.2879 6.2879 6.2895 6.2895 6.8114 6.8114 6.8129 6.8129 13.0243 13.0243 13.0282 13.0282 13.2422 13.2422 13.2467 13.2467 14.2581 14.2581 k = 0.2660 0.5789 0.5562 ( 13896 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.3729 -8.3729 -8.3719 -8.3719 -8.0613 -8.0613 -8.0601 -8.0601 -6.3101 -6.3101 -6.3097 -6.3097 0.0417 0.0417 0.0441 0.0441 0.4002 0.4002 0.4031 0.4031 2.7663 2.7663 2.7698 2.7698 3.1375 3.1375 3.1404 3.1404 3.6926 3.6926 3.6988 3.6988 4.3748 4.3748 4.3758 4.3758 5.6654 5.6654 5.6669 5.6669 6.2557 6.2557 6.2572 6.2572 6.8027 6.8027 6.8041 6.8041 13.0395 13.0395 13.0437 13.0437 13.2131 13.2131 13.2176 13.2176 14.2378 14.2378 k = 0.2826 0.5789 0.5562 ( 13894 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.3813 -8.3813 -8.3803 -8.3803 -8.0478 -8.0478 -8.0466 -8.0466 -6.3179 -6.3179 -6.3176 -6.3176 0.0818 0.0818 0.0843 0.0843 0.3602 0.3602 0.3631 0.3631 2.7698 2.7698 2.7733 2.7733 3.1341 3.1341 3.1363 3.1363 3.6968 3.6968 3.7028 3.7028 4.3751 4.3751 4.3761 4.3761 5.7026 5.7026 5.7039 5.7039 6.2247 6.2247 6.2261 6.2261 6.7945 6.7945 6.7957 6.7957 13.0569 13.0569 13.0612 13.0612 13.1867 13.1867 13.1912 13.1912 14.2196 14.2196 k = 0.2992 0.5789 0.5562 ( 13904 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.3919 -8.3919 -8.3909 -8.3909 -8.0319 -8.0319 -8.0307 -8.0307 -6.3253 -6.3253 -6.3251 -6.3251 0.1119 0.1119 0.1142 0.1142 0.3302 0.3302 0.3327 0.3327 2.7729 2.7729 2.7763 2.7763 3.1321 3.1321 3.1336 3.1336 3.6988 3.6988 3.7047 3.7047 4.3773 4.3773 4.3783 4.3783 5.7349 5.7349 5.7360 5.7360 6.1966 6.1966 6.1978 6.1978 6.7870 6.7870 6.7880 6.7880 13.0760 13.0760 13.0806 13.0806 13.1635 13.1635 13.1677 13.1677 14.2037 14.2037 k = 0.3158 0.5789 0.5562 ( 13898 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.4045 -8.4045 -8.4035 -8.4035 -8.0137 -8.0137 -8.0125 -8.0125 -6.3322 -6.3322 -6.3321 -6.3321 0.1207 0.1207 0.1220 0.1220 0.3218 0.3218 0.3234 0.3234 2.7755 2.7755 2.7787 2.7787 3.1317 3.1317 3.1325 3.1325 3.6987 3.6987 3.7044 3.7044 4.3814 4.3814 4.3825 4.3825 5.7605 5.7605 5.7615 5.7615 6.1730 6.1730 6.1742 6.1742 6.7802 6.7802 6.7812 6.7812 13.0946 13.0946 13.0996 13.0996 13.1458 13.1458 13.1492 13.1492 14.1904 14.1904 k = 0.3325 0.5789 0.5562 ( 13906 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.4190 -8.4190 -8.4181 -8.4181 -7.9934 -7.9934 -7.9922 -7.9922 -6.3385 -6.3385 -6.3384 -6.3384 0.1017 0.1017 0.1020 0.1020 0.3407 0.3407 0.3415 0.3415 2.7772 2.7772 2.7804 2.7804 3.1329 3.1329 3.1332 3.1332 3.6961 3.6961 3.7016 3.7016 4.3875 4.3875 4.3886 4.3886 5.7774 5.7774 5.7782 5.7782 6.1561 6.1561 6.1572 6.1572 6.7746 6.7746 6.7755 6.7755 13.1024 13.1024 13.1075 13.1075 13.1446 13.1446 13.1458 13.1458 14.1797 14.1797 k = 0.3325 0.5789 0.5562 ( 13906 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.4190 -8.4190 -8.4181 -8.4181 -7.9934 -7.9934 -7.9922 -7.9922 -6.3385 -6.3385 -6.3384 -6.3384 0.1017 0.1017 0.1020 0.1020 0.3407 0.3407 0.3415 0.3415 2.7772 2.7772 2.7804 2.7804 3.1329 3.1329 3.1332 3.1332 3.6961 3.6961 3.7016 3.7016 4.3875 4.3875 4.3886 4.3886 5.7774 5.7774 5.7782 5.7782 6.1561 6.1561 6.1572 6.1572 6.7746 6.7746 6.7755 6.7755 13.1024 13.1024 13.1075 13.1075 13.1446 13.1446 13.1458 13.1458 14.1797 14.1797 k = 0.3242 0.5644 0.5562 ( 13898 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.3875 -8.3875 -8.3865 -8.3865 -8.0363 -8.0363 -8.0351 -8.0351 -6.3265 -6.3265 -6.3264 -6.3264 0.1645 0.1645 0.1649 0.1649 0.2804 0.2804 0.2811 0.2811 2.7746 2.7746 2.7780 2.7780 3.1285 3.1285 3.1286 3.1286 3.7033 3.7033 3.7091 3.7091 4.3742 4.3742 4.3753 4.3753 5.7541 5.7541 5.7549 5.7549 6.1811 6.1811 6.1822 6.1822 6.7852 6.7852 6.7861 6.7861 13.1099 13.1099 13.1155 13.1155 13.1225 13.1225 13.1234 13.1234 14.2013 14.2013 k = 0.3158 0.5499 0.5562 ( 13894 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.3547 -8.3547 -8.3536 -8.3536 -8.0793 -8.0793 -8.0781 -8.0781 -6.3146 -6.3146 -6.3145 -6.3145 0.2181 0.2181 0.2192 0.2192 0.2286 0.2286 0.2287 0.2287 2.7721 2.7721 2.7756 2.7756 3.1224 3.1224 3.1225 3.1225 3.7095 3.7095 3.7156 3.7156 4.3632 4.3632 4.3642 4.3642 5.7323 5.7323 5.7331 5.7331 6.2027 6.2027 6.2039 6.2039 6.7974 6.7974 6.7983 6.7983 13.0989 13.0989 13.1004 13.1004 13.1222 13.1222 13.1273 13.1273 14.2282 14.2282 k = 0.3075 0.5354 0.5562 ( 13884 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.3207 -8.3207 -8.3196 -8.3196 -8.1224 -8.1224 -8.1212 -8.1212 -6.3028 -6.3028 -6.3027 -6.3027 0.1563 0.1563 0.1571 0.1571 0.2916 0.2916 0.2921 0.2921 2.7696 2.7696 2.7734 2.7734 3.1141 3.1141 3.1144 3.1144 3.7151 3.7151 3.7215 3.7215 4.3545 4.3545 4.3555 4.3555 5.7122 5.7122 5.7130 5.7130 6.2206 6.2206 6.2218 6.2218 6.8112 6.8112 6.8121 6.8121 13.0779 13.0779 13.0791 13.0791 13.1354 13.1354 13.1410 13.1410 14.2599 14.2599 k = 0.2992 0.5210 0.5562 ( 13900 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.2857 -8.2857 -8.2845 -8.2845 -8.1654 -8.1654 -8.1642 -8.1642 -6.2911 -6.2911 -6.2910 -6.2910 0.0931 0.0931 0.0938 0.0938 0.3552 0.3552 0.3558 0.3558 2.7671 2.7671 2.7711 2.7711 3.1033 3.1033 3.1038 3.1038 3.7204 3.7204 3.7270 3.7270 4.3485 4.3485 4.3495 4.3495 5.6942 5.6942 5.6950 5.6950 6.2344 6.2344 6.2356 6.2356 6.8270 6.8270 6.8278 6.8278 13.0587 13.0587 13.0598 13.0598 13.1508 13.1508 13.1565 13.1565 14.2960 14.2960 k = 0.2909 0.5065 0.5562 ( 13892 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.2495 -8.2495 -8.2484 -8.2484 -8.2083 -8.2083 -8.2071 -8.2071 -6.2796 -6.2796 -6.2795 -6.2795 0.0293 0.0293 0.0298 0.0298 0.4186 0.4186 0.4194 0.4194 2.7645 2.7645 2.7688 2.7688 3.0897 3.0897 3.0904 3.0904 3.7257 3.7257 3.7325 3.7325 4.3453 4.3453 4.3462 4.3462 5.6783 5.6783 5.6791 5.6791 6.2439 6.2439 6.2451 6.2451 6.8446 6.8446 6.8454 6.8454 13.0420 13.0420 13.0430 13.0430 13.1675 13.1675 13.1735 13.1735 14.3359 14.3359 k = 0.2826 0.4920 0.5562 ( 13904 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.2509 -8.2509 -8.2496 -8.2496 -8.2124 -8.2124 -8.2112 -8.2112 -6.2681 -6.2681 -6.2680 -6.2680 -0.0352 -0.0352 -0.0347 -0.0347 0.4816 0.4816 0.4825 0.4825 2.7618 2.7618 2.7662 2.7662 3.0729 3.0729 3.0736 3.0736 3.7313 3.7313 3.7382 3.7382 4.3451 4.3451 4.3460 4.3460 5.6649 5.6649 5.6657 5.6657 6.2491 6.2491 6.2502 6.2502 6.8641 6.8641 6.8649 6.8649 13.0285 13.0285 13.0294 13.0294 13.1851 13.1851 13.1912 13.1912 14.3792 14.3792 k = 0.2743 0.4776 0.5562 ( 13904 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.2930 -8.2930 -8.2918 -8.2918 -8.1743 -8.1743 -8.1731 -8.1731 -6.2568 -6.2568 -6.2567 -6.2567 -0.1000 -0.1000 -0.0996 -0.0996 0.5439 0.5439 0.5450 0.5450 2.7587 2.7587 2.7633 2.7633 3.0526 3.0526 3.0534 3.0534 3.7376 3.7376 3.7446 3.7446 4.3481 4.3481 4.3489 4.3489 5.6540 5.6540 5.6547 5.6547 6.2501 6.2501 6.2511 6.2511 6.8853 6.8853 6.8860 6.8860 13.0185 13.0185 13.0194 13.0194 13.2029 13.2029 13.2092 13.2092 14.4257 14.4257 k = 0.2660 0.4631 0.5562 ( 13908 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.3348 -8.3348 -8.3336 -8.3336 -8.1353 -8.1353 -8.1341 -8.1341 -6.2457 -6.2457 -6.2456 -6.2456 -0.1652 -0.1652 -0.1648 -0.1648 0.6055 0.6055 0.6066 0.6066 2.7552 2.7552 2.7601 2.7601 3.0288 3.0288 3.0297 3.0297 3.7449 3.7449 3.7519 3.7519 4.3542 4.3542 4.3550 4.3550 5.6456 5.6456 5.6463 5.6463 6.2470 6.2470 6.2480 6.2480 6.9080 6.9080 6.9085 6.9085 13.0126 13.0126 13.0133 13.0133 13.2203 13.2203 13.2268 13.2268 14.4751 14.4751 k = 0.2577 0.4486 0.5562 ( 13908 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.3759 -8.3759 -8.3747 -8.3747 -8.0956 -8.0956 -8.0944 -8.0944 -6.2347 -6.2347 -6.2346 -6.2346 -0.2306 -0.2306 -0.2303 -0.2303 0.6660 0.6660 0.6673 0.6673 2.7513 2.7513 2.7564 2.7564 3.0014 3.0014 3.0022 3.0022 3.7533 3.7533 3.7602 3.7602 4.3637 4.3637 4.3643 4.3643 5.6398 5.6398 5.6404 5.6404 6.2402 6.2402 6.2411 6.2411 6.9317 6.9317 6.9321 6.9321 13.0108 13.0108 13.0115 13.0115 13.2370 13.2370 13.2435 13.2435 14.5270 14.5270 k = 0.2494 0.4341 0.5562 ( 13904 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.4164 -8.4164 -8.4153 -8.4153 -8.0552 -8.0552 -8.0539 -8.0539 -6.2238 -6.2238 -6.2238 -6.2238 -0.2960 -0.2960 -0.2958 -0.2958 0.7253 0.7253 0.7268 0.7268 2.7469 2.7469 2.7521 2.7521 2.9705 2.9705 2.9713 2.9713 3.7630 3.7630 3.7698 3.7698 4.3765 4.3765 4.3770 4.3770 5.6364 5.6364 5.6370 5.6370 6.2299 6.2299 6.2308 6.2308 6.9563 6.9563 6.9566 6.9566 13.0135 13.0135 13.0141 13.0141 13.2522 13.2522 13.2588 13.2588 14.5813 14.5813 k = 0.2410 0.4197 0.5562 ( 13892 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.4563 -8.4563 -8.4551 -8.4551 -8.0141 -8.0141 -8.0128 -8.0128 -6.2132 -6.2132 -6.2132 -6.2132 -0.3614 -0.3614 -0.3612 -0.3612 0.7834 0.7834 0.7850 0.7850 2.7418 2.7418 2.7473 2.7473 2.9363 2.9363 2.9370 2.9370 3.7739 3.7739 3.7806 3.7806 4.3925 4.3925 4.3930 4.3930 5.6354 5.6354 5.6360 5.6360 6.2168 6.2168 6.2175 6.2175 6.9813 6.9813 6.9815 6.9815 13.0208 13.0208 13.0213 13.0213 13.2658 13.2658 13.2724 13.2724 14.6378 14.6378 k = 0.2327 0.4052 0.5562 ( 13886 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.4953 -8.4953 -8.4942 -8.4942 -7.9725 -7.9725 -7.9712 -7.9712 -6.2028 -6.2028 -6.2027 -6.2027 -0.4267 -0.4267 -0.4265 -0.4265 0.8400 0.8400 0.8417 0.8417 2.7360 2.7360 2.7417 2.7417 2.8991 2.8991 2.8997 2.8997 3.7861 3.7861 3.7926 3.7926 4.4116 4.4116 4.4120 4.4120 5.6367 5.6367 5.6373 5.6373 6.2010 6.2010 6.2017 6.2017 7.0066 7.0066 7.0066 7.0066 13.0328 13.0328 13.0331 13.0331 13.2771 13.2771 13.2838 13.2838 14.6963 14.6963 k = 0.2244 0.3907 0.5562 ( 13870 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.5335 -8.5335 -8.5324 -8.5324 -7.9304 -7.9304 -7.9291 -7.9291 -6.1925 -6.1925 -6.1925 -6.1925 -0.4917 -0.4917 -0.4916 -0.4916 0.8952 0.8952 0.8970 0.8970 2.7296 2.7296 2.7355 2.7355 2.8591 2.8591 2.8598 2.8598 3.7994 3.7994 3.8057 3.8057 4.4337 4.4337 4.4341 4.4341 5.6402 5.6402 5.6406 5.6406 6.1832 6.1832 6.1838 6.1838 7.0316 7.0316 7.0317 7.0317 13.0494 13.0494 13.0496 13.0496 13.2861 13.2861 13.2927 13.2927 14.7567 14.7567 k = 0.2161 0.3763 0.5562 ( 13874 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.5707 -8.5707 -8.5697 -8.5697 -7.8880 -7.8880 -7.8867 -7.8867 -6.1825 -6.1825 -6.1825 -6.1825 -0.5563 -0.5563 -0.5562 -0.5562 0.9488 0.9488 0.9508 0.9508 2.7225 2.7225 2.7285 2.7285 2.8170 2.8170 2.8175 2.8175 3.8139 3.8139 3.8200 3.8200 4.4585 4.4585 4.4587 4.4587 5.6456 5.6456 5.6460 5.6460 6.1638 6.1638 6.1643 6.1643 7.0563 7.0563 7.0564 7.0564 13.0706 13.0706 13.0708 13.0708 13.2924 13.2924 13.2990 13.2990 14.8186 14.8186 k = 0.2078 0.3618 0.5562 ( 13890 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.6070 -8.6070 -8.6060 -8.6060 -7.8453 -7.8453 -7.8440 -7.8440 -6.1727 -6.1727 -6.1727 -6.1727 -0.6204 -0.6204 -0.6204 -0.6204 1.0007 1.0007 1.0029 1.0029 2.7146 2.7146 2.7208 2.7208 2.7729 2.7729 2.7734 2.7734 3.8293 3.8293 3.8352 3.8352 4.4856 4.4856 4.4858 4.4858 5.6527 5.6527 5.6531 5.6531 6.1433 6.1433 6.1437 6.1437 7.0803 7.0803 7.0805 7.0805 13.0963 13.0963 13.0964 13.0964 13.2961 13.2961 13.3026 13.3026 14.8820 14.8820 k = 0.1995 0.3473 0.5562 ( 13898 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.6423 -8.6423 -8.6413 -8.6413 -7.8025 -7.8025 -7.8012 -7.8012 -6.1632 -6.1632 -6.1631 -6.1631 -0.6839 -0.6839 -0.6839 -0.6839 1.0510 1.0510 1.0533 1.0533 2.7058 2.7058 2.7124 2.7124 2.7275 2.7275 2.7281 2.7281 3.8455 3.8455 3.8511 3.8511 4.5147 4.5147 4.5148 4.5148 5.6614 5.6614 5.6617 5.6617 6.1221 6.1221 6.1224 6.1224 7.1036 7.1036 7.1039 7.1039 13.1264 13.1264 13.1264 13.1264 13.2970 13.2970 13.3034 13.3034 14.9464 14.9464 k = 0.1912 0.3328 0.5562 ( 13902 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.6765 -8.6765 -8.6755 -8.6755 -7.7597 -7.7597 -7.7584 -7.7584 -6.1539 -6.1539 -6.1538 -6.1538 -0.7467 -0.7467 -0.7466 -0.7466 1.0997 1.0997 1.1021 1.1021 2.6802 2.6802 2.6806 2.6806 2.6981 2.6981 2.7038 2.7038 3.8624 3.8624 3.8677 3.8677 4.5452 4.5452 4.5453 4.5453 5.6715 5.6715 5.6717 5.6717 6.1009 6.1009 6.1011 6.1011 7.1259 7.1259 7.1262 7.1262 13.1606 13.1606 13.1607 13.1607 13.2953 13.2953 13.3015 13.3015 15.0116 15.0116 k = 0.1829 0.3184 0.5562 ( 13902 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.7095 -8.7095 -8.7086 -8.7086 -7.7170 -7.7170 -7.7157 -7.7157 -6.1448 -6.1448 -6.1448 -6.1448 -0.8086 -0.8086 -0.8085 -0.8085 1.1466 1.1466 1.1492 1.1492 2.6334 2.6334 2.6335 2.6335 2.6881 2.6881 2.6943 2.6943 3.8797 3.8797 3.8848 3.8848 4.5766 4.5766 4.5768 4.5768 5.6828 5.6828 5.6830 5.6830 6.0801 6.0801 6.0802 6.0802 7.1471 7.1471 7.1475 7.1475 13.1988 13.1988 13.1989 13.1989 13.2910 13.2910 13.2971 13.2971 15.0768 15.0769 k = 0.1745 0.3039 0.5562 ( 13902 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.7414 -8.7414 -8.7405 -8.7405 -7.6745 -7.6745 -7.6733 -7.6733 -6.1361 -6.1361 -6.1361 -6.1361 -0.8695 -0.8695 -0.8693 -0.8693 1.1918 1.1918 1.1945 1.1945 2.5860 2.5860 2.5861 2.5861 2.6779 2.6779 2.6843 2.6843 3.8974 3.8974 3.9023 3.9023 4.6084 4.6084 4.6086 4.6086 5.6950 5.6950 5.6952 5.6952 6.0604 6.0604 6.0604 6.0604 7.1671 7.1671 7.1676 7.1676 13.2405 13.2405 13.2406 13.2406 13.2844 13.2844 13.2903 13.2903 15.1411 15.1411 k = 0.1662 0.2894 0.5562 ( 13900 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.7721 -8.7721 -8.7712 -8.7712 -7.6325 -7.6325 -7.6312 -7.6312 -6.1277 -6.1277 -6.1276 -6.1276 -0.9292 -0.9292 -0.9290 -0.9290 1.2354 1.2354 1.2382 1.2382 2.5387 2.5387 2.5388 2.5388 2.6675 2.6675 2.6739 2.6739 3.9153 3.9153 3.9199 3.9199 4.6398 4.6398 4.6402 4.6402 5.7081 5.7081 5.7082 5.7082 6.0421 6.0421 6.0422 6.0422 7.1858 7.1858 7.1864 7.1864 13.2748 13.2748 13.2801 13.2801 13.2866 13.2866 13.2868 13.2868 15.2021 15.2021 k = 0.1579 0.2750 0.5562 ( 13892 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.8015 -8.8015 -8.8006 -8.8006 -7.5909 -7.5909 -7.5897 -7.5897 -6.1195 -6.1195 -6.1195 -6.1195 -0.9876 -0.9876 -0.9874 -0.9874 1.2772 1.2772 1.2801 1.2801 2.4919 2.4919 2.4921 2.4921 2.6567 2.6567 2.6632 2.6632 3.9333 3.9333 3.9377 3.9377 4.6704 4.6704 4.6708 4.6708 5.7217 5.7217 5.7218 5.7218 6.0261 6.0261 6.0263 6.0263 7.2031 7.2031 7.2038 7.2038 13.2646 13.2646 13.2702 13.2702 13.3338 13.3338 13.3341 13.3341 15.2551 15.2551 k = 0.1496 0.2605 0.5562 ( 13902 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.8296 -8.8296 -8.8287 -8.8287 -7.5501 -7.5501 -7.5489 -7.5489 -6.1117 -6.1117 -6.1117 -6.1117 -1.0445 -1.0445 -1.0443 -1.0443 1.3173 1.3173 1.3203 1.3203 2.4459 2.4459 2.4461 2.4461 2.6458 2.6458 2.6523 2.6523 3.9511 3.9511 3.9553 3.9553 4.6993 4.6993 4.6999 4.6999 5.7358 5.7358 5.7358 5.7358 6.0127 6.0127 6.0130 6.0130 7.2190 7.2190 7.2197 7.2197 13.2523 13.2523 13.2577 13.2577 13.3843 13.3843 13.3846 13.3846 15.2901 15.2901 k = 0.1413 0.2460 0.5562 ( 13902 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.8563 -8.8563 -8.8555 -8.8555 -7.5100 -7.5100 -7.5089 -7.5089 -6.1042 -6.1042 -6.1042 -6.1042 -1.0998 -1.0998 -1.0996 -1.0996 1.3557 1.3557 1.3588 1.3588 2.4009 2.4009 2.4011 2.4011 2.6348 2.6348 2.6412 2.6412 3.9688 3.9688 3.9727 3.9727 4.7260 4.7260 4.7267 4.7267 5.7501 5.7501 5.7501 5.7501 6.0024 6.0024 6.0029 6.0029 7.2334 7.2334 7.2341 7.2341 13.2387 13.2387 13.2439 13.2439 13.4368 13.4368 13.4372 13.4372 15.2935 15.2935 k = 0.1330 0.2315 0.5562 ( 13920 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.8817 -8.8817 -8.8810 -8.8810 -7.4710 -7.4710 -7.4699 -7.4699 -6.0971 -6.0971 -6.0971 -6.0971 -1.1533 -1.1533 -1.1530 -1.1530 1.3925 1.3925 1.3956 1.3956 2.3573 2.3573 2.3576 2.3576 2.6237 2.6237 2.6301 2.6301 3.9861 3.9861 3.9898 3.9898 4.7499 4.7499 4.7507 4.7507 5.7645 5.7645 5.7646 5.7646 5.9958 5.9958 5.9964 5.9964 7.2463 7.2463 7.2471 7.2471 13.2240 13.2240 13.2290 13.2290 13.4909 13.4909 13.4912 13.4912 15.2663 15.2663 k = 0.1247 0.2171 0.5562 ( 13912 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.9057 -8.9057 -8.9050 -8.9050 -7.4332 -7.4332 -7.4321 -7.4321 -6.0903 -6.0903 -6.0903 -6.0903 -1.2049 -1.2049 -1.2046 -1.2046 1.4274 1.4274 1.4306 1.4306 2.3154 2.3154 2.3156 2.3156 2.6127 2.6127 2.6190 2.6190 4.0030 4.0030 4.0064 4.0064 4.7706 4.7706 4.7715 4.7715 5.7789 5.7789 5.7790 5.7790 5.9931 5.9931 5.9937 5.9937 7.2577 7.2577 7.2585 7.2585 13.2086 13.2086 13.2133 13.2133 13.5458 13.5458 13.5461 13.5461 15.2230 15.2230 k = 0.1164 0.2026 0.5562 ( 13916 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.9283 -8.9283 -8.9276 -8.9276 -7.3966 -7.3966 -7.3956 -7.3956 -6.0839 -6.0839 -6.0839 -6.0839 -1.2543 -1.2543 -1.2539 -1.2539 1.4607 1.4607 1.4639 1.4639 2.2752 2.2752 2.2755 2.2755 2.6019 2.6019 2.6081 2.6081 4.0193 4.0193 4.0225 4.0225 4.7878 4.7878 4.7888 4.7888 5.7930 5.7930 5.7932 5.7932 5.9943 5.9943 5.9951 5.9951 7.2676 7.2676 7.2684 7.2684 13.1928 13.1928 13.1972 13.1972 13.6009 13.6009 13.6012 13.6012 15.1747 15.1747 k = 0.1081 0.1881 0.5562 ( 13912 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.9494 -8.9494 -8.9488 -8.9488 -7.3616 -7.3616 -7.3606 -7.3606 -6.0779 -6.0779 -6.0779 -6.0779 -1.3013 -1.3013 -1.3010 -1.3010 1.4921 1.4921 1.4954 1.4954 2.2371 2.2371 2.2374 2.2374 2.5913 2.5913 2.5974 2.5974 4.0350 4.0350 4.0380 4.0380 4.8014 4.8014 4.8025 4.8025 5.8069 5.8069 5.8070 5.8070 5.9995 5.9995 6.0003 6.0003 7.2760 7.2760 7.2768 7.2768 13.1767 13.1767 13.1809 13.1809 13.6555 13.6555 13.6558 13.6558 15.1268 15.1268 k = 0.0997 0.1737 0.5562 ( 13914 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.9690 -8.9690 -8.9684 -8.9684 -7.3283 -7.3283 -7.3273 -7.3273 -6.0723 -6.0723 -6.0723 -6.0723 -1.3458 -1.3458 -1.3455 -1.3455 1.5218 1.5218 1.5250 1.5250 2.2012 2.2012 2.2015 2.2015 2.5811 2.5811 2.5870 2.5870 4.0499 4.0499 4.0526 4.0526 4.8114 4.8114 4.8125 4.8125 5.8202 5.8202 5.8204 5.8204 6.0083 6.0083 6.0092 6.0092 7.2830 7.2830 7.2838 7.2838 13.1608 13.1608 13.1647 13.1647 13.7089 13.7089 13.7090 13.7090 15.0818 15.0818 k = 0.0914 0.1592 0.5562 ( 13906 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.9872 -8.9872 -8.9866 -8.9866 -7.2968 -7.2968 -7.2959 -7.2959 -6.0671 -6.0671 -6.0671 -6.0671 -1.3876 -1.3876 -1.3873 -1.3873 1.5495 1.5495 1.5526 1.5526 2.1677 2.1677 2.1679 2.1679 2.5713 2.5713 2.5769 2.5769 4.0640 4.0640 4.0665 4.0665 4.8181 4.8181 4.8192 4.8192 5.8330 5.8330 5.8332 5.8332 6.0203 6.0203 6.0212 6.0212 7.2887 7.2887 7.2894 7.2894 13.1452 13.1452 13.1488 13.1488 13.7601 13.7601 13.7602 13.7602 15.0411 15.0411 k = 0.0831 0.1447 0.5562 ( 13890 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -9.0038 -9.0038 -9.0033 -9.0033 -7.2673 -7.2673 -7.2665 -7.2665 -6.0623 -6.0623 -6.0623 -6.0623 -1.4266 -1.4266 -1.4263 -1.4263 1.5753 1.5753 1.5783 1.5783 2.1366 2.1366 2.1369 2.1369 2.5620 2.5620 2.5674 2.5674 4.0771 4.0771 4.0794 4.0794 4.8218 4.8218 4.8229 4.8229 5.8451 5.8451 5.8452 5.8452 6.0349 6.0349 6.0358 6.0358 7.2931 7.2931 7.2938 7.2938 13.1302 13.1302 13.1334 13.1334 13.8083 13.8083 13.8083 13.8083 15.0057 15.0057 k = 0.0748 0.1302 0.5562 ( 13880 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -9.0189 -9.0189 -9.0184 -9.0184 -7.2400 -7.2400 -7.2393 -7.2393 -6.0579 -6.0579 -6.0579 -6.0579 -1.4625 -1.4625 -1.4622 -1.4622 1.5991 1.5991 1.6020 1.6020 2.1082 2.1082 2.1084 2.1084 2.5533 2.5533 2.5583 2.5583 4.0893 4.0893 4.0913 4.0913 4.8230 4.8230 4.8241 4.8241 5.8563 5.8563 5.8565 5.8565 6.0514 6.0514 6.0523 6.0523 7.2963 7.2963 7.2970 7.2970 13.1159 13.1159 13.1189 13.1189 13.8526 13.8526 13.8527 13.8527 14.9761 14.9761 k = 0.0665 0.1158 0.5562 ( 13870 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -9.0324 -9.0324 -9.0320 -9.0320 -7.2151 -7.2151 -7.2145 -7.2145 -6.0540 -6.0540 -6.0540 -6.0540 -1.4951 -1.4951 -1.4948 -1.4948 1.6207 1.6207 1.6234 1.6234 2.0825 2.0825 2.0827 2.0827 2.5453 2.5453 2.5500 2.5500 4.1003 4.1003 4.1021 4.1021 4.8223 4.8223 4.8233 4.8233 5.8667 5.8667 5.8668 5.8668 6.0689 6.0689 6.0698 6.0698 7.2985 7.2985 7.2992 7.2992 13.1026 13.1026 13.1053 13.1053 13.8924 13.8924 13.8925 13.8925 14.9527 14.9527 k = 0.0582 0.1013 0.5562 ( 13872 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -9.0444 -9.0444 -9.0441 -9.0441 -7.1927 -7.1927 -7.1921 -7.1921 -6.0505 -6.0505 -6.0505 -6.0505 -1.5243 -1.5243 -1.5241 -1.5241 1.6402 1.6402 1.6427 1.6427 2.0596 2.0596 2.0598 2.0598 2.5381 2.5381 2.5423 2.5423 4.1102 4.1102 4.1118 4.1118 4.8201 4.8201 4.8211 4.8211 5.8760 5.8760 5.8761 5.8761 6.0868 6.0868 6.0877 6.0877 7.2999 7.2999 7.3005 7.3005 13.0905 13.0905 13.0928 13.0928 13.9271 13.9271 13.9272 13.9272 14.9353 14.9353 k = 0.0499 0.0868 0.5562 ( 13884 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -9.0548 -9.0548 -9.0545 -9.0545 -7.1730 -7.1730 -7.1725 -7.1725 -6.0474 -6.0474 -6.0474 -6.0474 -1.5500 -1.5500 -1.5498 -1.5498 1.6573 1.6573 1.6595 1.6595 2.0396 2.0396 2.0398 2.0398 2.5316 2.5316 2.5354 2.5354 4.1190 4.1190 4.1203 4.1203 4.8171 4.8171 4.8179 4.8179 5.8843 5.8843 5.8844 5.8844 6.1042 6.1042 6.1050 6.1050 7.3006 7.3006 7.3011 7.3011 13.0797 13.0797 13.0817 13.0817 13.9563 13.9563 13.9565 13.9565 14.9236 14.9236 k = 0.0416 0.0724 0.5562 ( 13884 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -9.0636 -9.0636 -9.0634 -9.0634 -7.1561 -7.1561 -7.1556 -7.1556 -6.0449 -6.0449 -6.0449 -6.0449 -1.5720 -1.5720 -1.5718 -1.5718 1.6720 1.6720 1.6740 1.6740 2.0226 2.0226 2.0227 2.0227 2.5261 2.5261 2.5293 2.5293 4.1265 4.1265 4.1276 4.1276 4.8136 4.8136 4.8144 4.8144 5.8914 5.8914 5.8915 5.8915 6.1203 6.1203 6.1210 6.1210 7.3008 7.3008 7.3013 7.3013 13.0703 13.0703 13.0720 13.0720 13.9800 13.9800 13.9803 13.9803 14.9167 14.9167 k = 0.0332 0.0579 0.5562 ( 13884 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -9.0708 -9.0708 -9.0707 -9.0707 -7.1420 -7.1420 -7.1417 -7.1417 -6.0427 -6.0427 -6.0427 -6.0427 -1.5901 -1.5901 -1.5900 -1.5900 1.6843 1.6843 1.6859 1.6859 2.0086 2.0086 2.0087 2.0087 2.5216 2.5216 2.5242 2.5242 4.1327 4.1327 4.1336 4.1336 4.8102 4.8102 4.8109 4.8109 5.8973 5.8973 5.8974 5.8974 6.1345 6.1345 6.1351 6.1351 7.3007 7.3007 7.3011 7.3011 13.0626 13.0626 13.0639 13.0639 13.9985 13.9985 13.9988 13.9988 14.9136 14.9137 k = 0.0249 0.0434 0.5562 ( 13898 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -9.0765 -9.0765 -9.0763 -9.0763 -7.1310 -7.1310 -7.1307 -7.1307 -6.0411 -6.0411 -6.0411 -6.0411 -1.6043 -1.6043 -1.6042 -1.6042 1.6940 1.6940 1.6952 1.6952 1.9977 1.9977 1.9978 1.9978 2.5181 2.5181 2.5201 2.5201 4.1376 4.1376 4.1382 4.1382 4.8072 4.8072 4.8077 4.8077 5.9019 5.9019 5.9020 5.9020 6.1463 6.1463 6.1467 6.1467 7.3004 7.3004 7.3007 7.3007 13.0564 13.0564 13.0575 13.0575 14.0122 14.0122 14.0124 14.0124 14.9131 14.9131 k = 0.0166 0.0289 0.5562 ( 13906 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -9.0805 -9.0805 -9.0804 -9.0804 -7.1230 -7.1230 -7.1229 -7.1229 -6.0399 -6.0399 -6.0399 -6.0399 -1.6146 -1.6146 -1.6145 -1.6145 1.7010 1.7010 1.7019 1.7019 1.9898 1.9898 1.9899 1.9899 2.5156 2.5156 2.5170 2.5170 4.1411 4.1411 4.1415 4.1415 4.8049 4.8049 4.8052 4.8052 5.9053 5.9053 5.9054 5.9054 6.1550 6.1550 6.1553 6.1553 7.3001 7.3001 7.3003 7.3003 13.0521 13.0521 13.0527 13.0527 14.0215 14.0215 14.0216 14.0216 14.9138 14.9138 k = 0.0083 0.0145 0.5562 ( 13910 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -9.0829 -9.0829 -9.0828 -9.0828 -7.1182 -7.1182 -7.1181 -7.1181 -6.0392 -6.0392 -6.0392 -6.0392 -1.6207 -1.6207 -1.6207 -1.6207 1.7054 1.7054 1.7058 1.7058 1.9852 1.9852 1.9852 1.9852 2.5143 2.5143 2.5150 2.5150 4.1433 4.1433 4.1435 4.1435 4.8035 4.8035 4.8036 4.8036 5.9073 5.9073 5.9074 5.9074 6.1604 6.1604 6.1606 6.1606 7.2998 7.2998 7.2999 7.2999 13.0495 13.0495 13.0498 13.0498 14.0269 14.0269 14.0269 14.0269 14.9147 14.9147 k = 0.0000 0.0000 0.5562 ( 13914 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -9.0837 -9.0837 -9.0837 -9.0837 -7.1166 -7.1166 -7.1166 -7.1166 -6.0389 -6.0389 -6.0389 -6.0389 -1.6228 -1.6228 -1.6228 -1.6228 1.7069 1.7069 1.7069 1.7069 1.9836 1.9836 1.9836 1.9836 2.5141 2.5141 2.5141 2.5141 4.1441 4.1441 4.1441 4.1441 4.8030 4.8030 4.8030 4.8030 5.9080 5.9080 5.9080 5.9080 6.1623 6.1623 6.1623 6.1623 7.2998 7.2998 7.2998 7.2998 13.0487 13.0487 13.0487 13.0487 14.0286 14.0286 14.0286 14.0286 14.9151 14.9151 k = 0.0000 0.0000 0.5562 ( 13914 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -9.0837 -9.0837 -9.0837 -9.0837 -7.1166 -7.1166 -7.1166 -7.1166 -6.0389 -6.0389 -6.0389 -6.0389 -1.6228 -1.6228 -1.6228 -1.6228 1.7069 1.7069 1.7069 1.7069 1.9836 1.9836 1.9836 1.9836 2.5141 2.5141 2.5141 2.5141 4.1441 4.1441 4.1441 4.1441 4.8030 4.8030 4.8030 4.8030 5.9080 5.9080 5.9080 5.9080 6.1623 6.1623 6.1623 6.1623 7.2998 7.2998 7.2998 7.2998 13.0487 13.0487 13.0487 13.0487 14.0286 14.0286 14.0286 14.0286 14.9151 14.9151 k = 0.0000 0.0000 0.5394 ( 13908 PWs) bands (ev): -36.1554 -36.1554 -36.1548 -36.1548 -9.1426 -9.1426 -9.0235 -9.0235 -7.1200 -7.1200 -7.1138 -7.1138 -6.0421 -6.0421 -6.0360 -6.0360 -1.6214 -1.6214 -1.6206 -1.6206 1.6345 1.6345 1.7618 1.7618 1.9323 1.9323 2.0354 2.0354 2.5049 2.5049 2.5403 2.5403 4.1180 4.1180 4.1638 4.1638 4.7889 4.7889 4.8208 4.8208 5.9058 5.9058 5.9096 5.9096 6.1445 6.1445 6.1800 6.1800 7.2815 7.2815 7.3146 7.3146 13.0523 13.0523 13.0554 13.0554 14.0249 14.0249 14.0269 14.0269 14.8837 14.8837 k = 0.0000 0.0000 0.5225 ( 13902 PWs) bands (ev): -36.1557 -36.1557 -36.1546 -36.1546 -9.2002 -9.2002 -8.9622 -8.9622 -7.1239 -7.1239 -7.1115 -7.1115 -6.0455 -6.0455 -6.0333 -6.0333 -1.6167 -1.6167 -1.6151 -1.6151 1.5476 1.5476 1.7978 1.7978 1.8818 1.8818 2.0878 2.0878 2.5100 2.5100 2.5845 2.5845 4.0857 4.0857 4.1768 4.1768 4.7782 4.7782 4.8423 4.8423 5.9032 5.9032 5.9104 5.9104 6.1266 6.1266 6.1975 6.1975 7.2598 7.2598 7.3259 7.3259 13.0661 13.0661 13.0721 13.0721 14.0157 14.0157 14.0199 14.0199 14.8511 14.8511 k = 0.0000 0.0000 0.5056 ( 13892 PWs) bands (ev): -36.1560 -36.1560 -36.1543 -36.1543 -9.2565 -9.2565 -8.8999 -8.8999 -7.1284 -7.1284 -7.1098 -7.1098 -6.0491 -6.0491 -6.0307 -6.0307 -1.6085 -1.6085 -1.6062 -1.6062 1.4497 1.4497 1.8160 1.8160 1.8322 1.8322 2.1404 2.1404 2.5262 2.5262 2.6451 2.6451 4.0476 4.0476 4.1829 4.1829 4.7708 4.7708 4.8678 4.8678 5.9004 5.9004 5.9102 5.9102 6.1089 6.1089 6.2146 6.2146 7.2350 7.2350 7.3336 7.3336 13.0901 13.0901 13.0988 13.0988 14.0008 14.0008 14.0076 14.0076 14.8176 14.8176 k = 0.0000 0.0000 0.4888 ( 13886 PWs) bands (ev): -36.1562 -36.1562 -36.1540 -36.1540 -9.3115 -9.3115 -8.8366 -8.8366 -7.1334 -7.1334 -7.1087 -7.1087 -6.0530 -6.0530 -6.0284 -6.0284 -1.5968 -1.5968 -1.5940 -1.5940 1.3441 1.3441 1.7828 1.7828 1.8205 1.8205 2.1933 2.1933 2.5507 2.5507 2.7185 2.7185 4.0040 4.0040 4.1821 4.1821 4.7665 4.7665 4.8974 4.8974 5.8976 5.8976 5.9091 5.9091 6.0914 6.0914 6.2312 6.2312 7.2071 7.2071 7.3377 7.3377 13.1240 13.1240 13.1351 13.1351 13.9801 13.9801 13.9901 13.9901 14.7836 14.7836 k = 0.0000 0.0000 0.4719 ( 13878 PWs) bands (ev): -36.1565 -36.1565 -36.1537 -36.1537 -9.3649 -9.3649 -8.7723 -8.7723 -7.1389 -7.1389 -7.1081 -7.1081 -6.0572 -6.0572 -6.0262 -6.0262 -1.5818 -1.5818 -1.5786 -1.5786 1.2331 1.2331 1.7349 1.7349 1.8138 1.8138 2.2462 2.2462 2.5812 2.5812 2.8005 2.8005 3.9552 3.9552 4.1743 4.1743 4.7651 4.7651 4.9312 4.9312 5.8952 5.8952 5.9070 5.9070 6.0742 6.0742 6.2471 6.2471 7.1764 7.1764 7.3382 7.3382 13.1675 13.1675 13.1805 13.1805 13.9535 13.9535 13.9673 13.9673 14.7494 14.7494 k = 0.0000 0.0000 0.4551 ( 13875 PWs) bands (ev): -36.1568 -36.1568 -36.1535 -36.1535 -9.4169 -9.4169 -8.7073 -8.7073 -7.1447 -7.1447 -7.1081 -7.1081 -6.0617 -6.0617 -6.0242 -6.0242 -1.5634 -1.5634 -1.5600 -1.5600 1.1185 1.1185 1.6880 1.6880 1.7997 1.7997 2.2990 2.2990 2.6162 2.6162 2.8877 2.8877 3.9016 3.9016 4.1595 4.1595 4.7665 4.7665 4.9695 4.9695 5.8933 5.8933 5.9040 5.9040 6.0575 6.0575 6.2621 6.2621 7.1433 7.1433 7.3353 7.3353 13.2203 13.2203 13.2345 13.2345 13.9212 13.9212 13.9394 13.9394 14.6615 14.6615 k = 0.0000 0.0000 0.4382 ( 13875 PWs) bands (ev): -36.1570 -36.1570 -36.1532 -36.1532 -9.4673 -9.4673 -8.6416 -8.6416 -7.1510 -7.1510 -7.1086 -7.1086 -6.0665 -6.0665 -6.0223 -6.0223 -1.5417 -1.5417 -1.5384 -1.5384 1.0019 1.0019 1.6422 1.6422 1.7807 1.7807 2.3515 2.3515 2.6546 2.6546 2.9771 2.9771 3.8436 3.8436 4.1379 4.1379 4.7706 4.7706 5.0122 5.0122 5.8921 5.8921 5.9001 5.9001 6.0412 6.0412 6.2760 6.2760 7.1079 7.1079 7.3289 7.3289 13.2820 13.2820 13.2962 13.2962 13.8831 13.8831 13.9063 13.9063 14.5562 14.5562 k = 0.0000 0.0000 0.4214 ( 13875 PWs) bands (ev): -36.1573 -36.1573 -36.1529 -36.1529 -9.5161 -9.5161 -8.5754 -8.5754 -7.1577 -7.1577 -7.1096 -7.1096 -6.0716 -6.0716 -6.0205 -6.0205 -1.5169 -1.5169 -1.5139 -1.5139 0.8841 0.8841 1.5976 1.5976 1.7584 1.7584 2.4035 2.4035 2.6955 2.6955 3.0667 3.0667 3.7816 3.7816 4.1096 4.1096 4.7772 4.7772 5.0593 5.0593 5.8918 5.8918 5.8954 5.8954 6.0257 6.0257 6.2886 6.2886 7.0708 7.0708 7.3193 7.3193 13.3520 13.3520 13.3643 13.3643 13.8397 13.8397 13.8682 13.8682 14.4514 14.4514 k = 0.0000 0.0000 0.4045 ( 13869 PWs) bands (ev): -36.1576 -36.1576 -36.1527 -36.1527 -9.5632 -9.5632 -8.5086 -8.5086 -7.1647 -7.1647 -7.1110 -7.1110 -6.0771 -6.0771 -6.0189 -6.0189 -1.4889 -1.4889 -1.4867 -1.4867 0.7661 0.7661 1.5542 1.5542 1.7342 1.7342 2.4548 2.4548 2.7384 2.7384 3.1551 3.1551 3.7162 3.7162 4.0751 4.0751 4.7861 4.7861 5.1108 5.1108 5.8901 5.8901 5.8925 5.8925 6.0109 6.0109 6.2995 6.2995 7.0324 7.0324 7.3066 7.3066 13.4296 13.4296 13.4370 13.4370 13.7912 13.7912 13.8255 13.8255 14.3493 14.3493 k = 0.0000 0.0000 0.3877 ( 13863 PWs) bands (ev): -36.1578 -36.1578 -36.1524 -36.1524 -9.6087 -9.6087 -8.4416 -8.4416 -7.1719 -7.1719 -7.1129 -7.1129 -6.0829 -6.0829 -6.0175 -6.0175 -1.4581 -1.4581 -1.4567 -1.4567 0.6485 0.6485 1.5121 1.5121 1.7088 1.7088 2.5051 2.5051 2.7827 2.7827 3.2410 3.2410 3.6477 3.6477 4.0346 4.0346 4.7973 4.7973 5.1666 5.1666 5.8843 5.8843 5.8942 5.8942 5.9970 5.9970 6.3083 6.3083 6.9932 6.9932 7.2909 7.2909 13.5094 13.5094 13.5158 13.5158 13.7381 13.7381 13.7784 13.7784 14.2537 14.2537 k = 0.0000 0.0000 0.3708 ( 13853 PWs) bands (ev): -36.1580 -36.1580 -36.1522 -36.1522 -9.6525 -9.6525 -8.3743 -8.3743 -7.1793 -7.1793 -7.1152 -7.1152 -6.0892 -6.0892 -6.0161 -6.0161 -1.4248 -1.4248 -1.4240 -1.4240 0.5319 0.5319 1.4713 1.4713 1.6829 1.6829 2.5540 2.5540 2.8281 2.8281 3.3237 3.3237 3.5769 3.5769 3.9888 3.9888 4.8105 4.8105 5.2263 5.2263 5.8782 5.8782 5.8969 5.8969 5.9843 5.9843 6.3147 6.3147 6.9539 6.9539 7.2726 7.2726 13.5775 13.5775 13.6068 13.6068 13.6809 13.6809 13.7275 13.7275 14.1715 14.1715 k = 0.0000 0.0000 0.3540 ( 13867 PWs) bands (ev): -36.1583 -36.1583 -36.1520 -36.1520 -9.6946 -9.6946 -8.3070 -8.3070 -7.1869 -7.1869 -7.1178 -7.1178 -6.0958 -6.0958 -6.0148 -6.0148 -1.3900 -1.3900 -1.3877 -1.3877 0.4168 0.4168 1.4320 1.4320 1.6570 1.6570 2.6010 2.6010 2.8742 2.8742 3.4027 3.4027 3.5045 3.5045 3.9381 3.9381 4.8257 4.8257 5.2893 5.2893 5.8719 5.8719 5.9005 5.9005 5.9730 5.9730 6.3180 6.3180 6.9151 6.9151 7.2517 7.2517 13.6200 13.6200 13.6253 13.6253 13.6735 13.6735 13.7041 13.7041 14.1164 14.1164 k = 0.0000 0.0000 0.3371 ( 13871 PWs) bands (ev): -36.1585 -36.1585 -36.1517 -36.1517 -9.7348 -9.7348 -8.2398 -8.2398 -7.1946 -7.1946 -7.1207 -7.1207 -6.1029 -6.1029 -6.0137 -6.0137 -1.3534 -1.3534 -1.3488 -1.3488 0.3037 0.3037 1.3941 1.3941 1.6313 1.6313 2.6456 2.6456 2.9209 2.9209 3.4311 3.4311 3.4778 3.4778 3.8832 3.8832 4.8427 4.8427 5.3552 5.3552 5.8656 5.8656 5.9050 5.9050 5.9635 5.9635 6.3176 6.3176 6.8778 6.8778 7.2286 7.2286 13.5562 13.5562 13.6163 13.6163 13.6339 13.6339 13.8062 13.8062 14.1086 14.1086 k = 0.0000 0.0000 0.3202 ( 13905 PWs) bands (ev): -36.1588 -36.1588 -36.1515 -36.1515 -9.7733 -9.7733 -8.1730 -8.1730 -7.2024 -7.2024 -7.1239 -7.1239 -6.1104 -6.1104 -6.0126 -6.0126 -1.3150 -1.3150 -1.3076 -1.3076 0.1929 0.1929 1.3577 1.3577 1.6061 1.6061 2.6866 2.6866 2.9677 2.9677 3.3585 3.3585 3.5485 3.5485 3.8247 3.8247 4.8613 4.8613 5.4228 5.4228 5.8593 5.8593 5.9103 5.9103 5.9562 5.9562 6.3128 6.3128 6.8429 6.8429 7.2036 7.2036 13.4899 13.4899 13.5578 13.5578 13.5958 13.5958 13.9123 13.9123 14.1541 14.1541 k = 0.0000 0.0000 0.3034 ( 13885 PWs) bands (ev): -36.1590 -36.1590 -36.1513 -36.1513 -9.8099 -9.8099 -8.1066 -8.1066 -7.2101 -7.2101 -7.1273 -7.1273 -6.1184 -6.1184 -6.0116 -6.0116 -1.2750 -1.2750 -1.2642 -1.2642 0.0850 0.0850 1.3228 1.3228 1.5816 1.5816 2.7226 2.7226 3.0146 3.0146 3.2882 3.2882 3.6150 3.6150 3.7632 3.7632 4.8814 4.8814 5.4908 5.4908 5.8533 5.8533 5.9162 5.9162 5.9521 5.9521 6.3030 6.3030 6.8112 6.8112 7.1769 7.1769 13.4219 13.4219 13.4979 13.4979 13.5277 13.5277 14.0213 14.0213 14.2371 14.2371 k = 0.0000 0.0000 0.2865 ( 13895 PWs) bands (ev): -36.1592 -36.1592 -36.1511 -36.1511 -9.8447 -9.8447 -8.0409 -8.0409 -7.2178 -7.2178 -7.1308 -7.1308 -6.1268 -6.1268 -6.0108 -6.0108 -1.2338 -1.2338 -1.2191 -1.2191 -0.0198 -0.0198 1.2895 1.2895 1.5580 1.5580 2.7509 2.7509 3.0611 3.0611 3.2232 3.2232 3.6770 3.6770 3.6997 3.6997 4.9029 4.9029 5.5573 5.5573 5.8476 5.8476 5.9225 5.9225 5.9524 5.9524 6.2875 6.2875 6.7835 6.7835 7.1488 7.1488 13.3526 13.3526 13.4372 13.4372 13.4459 13.4459 14.1320 14.1320 14.3410 14.3410 k = 0.0000 0.0000 0.2697 ( 13905 PWs) bands (ev): -36.1594 -36.1594 -36.1509 -36.1509 -9.8776 -9.8776 -7.9761 -7.9761 -7.2254 -7.2254 -7.1344 -7.1344 -6.1357 -6.1357 -6.0100 -6.0100 -1.1915 -1.1915 -1.1724 -1.1724 -0.1212 -0.1212 1.2578 1.2578 1.5354 1.5354 2.7670 2.7670 3.1072 3.1072 3.1683 3.1683 3.6341 3.6341 3.7353 3.7353 4.9257 4.9257 5.6195 5.6195 5.8423 5.8423 5.9292 5.9292 5.9593 5.9593 6.2662 6.2662 6.7603 6.7603 7.1196 7.1196 13.2827 13.2827 13.3583 13.3583 13.3770 13.3770 14.2429 14.2429 14.4326 14.4326 k = 0.0000 0.0000 0.2528 ( 13901 PWs) bands (ev): -36.1596 -36.1596 -36.1507 -36.1507 -9.9086 -9.9086 -7.9125 -7.9125 -7.2328 -7.2328 -7.1382 -7.1382 -6.1450 -6.1450 -6.0092 -6.0092 -1.1486 -1.1486 -1.1245 -1.1245 -0.2186 -0.2186 1.2277 1.2277 1.5138 1.5138 2.7653 2.7653 3.1291 3.1291 3.1531 3.1531 3.5680 3.5680 3.7892 3.7892 4.9495 4.9495 5.6737 5.6737 5.8375 5.8375 5.9362 5.9362 5.9757 5.9757 6.2391 6.2391 6.7418 6.7418 7.0897 7.0897 13.2128 13.2128 13.2703 13.2703 13.3171 13.3171 14.3524 14.3524 14.4152 14.4152 k = 0.0000 0.0000 0.2360 ( 13901 PWs) bands (ev): -36.1598 -36.1598 -36.1505 -36.1505 -9.9377 -9.9377 -7.8503 -7.8503 -7.2399 -7.2399 -7.1419 -7.1419 -6.1548 -6.1548 -6.0086 -6.0086 -1.1053 -1.1053 -1.0757 -1.0757 -0.3118 -0.3118 1.1993 1.1993 1.4934 1.4934 2.7418 2.7418 3.1110 3.1110 3.1974 3.1974 3.5016 3.5016 3.8393 3.8393 4.9743 4.9743 5.7159 5.7159 5.8331 5.8331 5.9433 5.9433 6.0048 6.0048 6.2069 6.2069 6.7277 6.7277 7.0593 7.0593 13.1435 13.1435 13.1837 13.1837 13.2584 13.2584 14.3986 14.3986 14.4586 14.4586 k = 0.0000 0.0000 0.2191 ( 13891 PWs) bands (ev): -36.1599 -36.1599 -36.1504 -36.1504 -9.9649 -9.9649 -7.7897 -7.7897 -7.2468 -7.2468 -7.1456 -7.1456 -6.1650 -6.1650 -6.0080 -6.0080 -1.0621 -1.0621 -1.0265 -1.0265 -0.4005 -0.4005 1.1726 1.1726 1.4741 1.4741 2.6986 2.6986 3.1113 3.1113 3.2406 3.2406 3.4357 3.4357 3.8855 3.8855 4.9998 4.9998 5.7448 5.7448 5.8294 5.8294 5.9503 5.9503 6.0470 6.0470 6.1703 6.1703 6.7173 6.7173 7.0289 7.0289 13.0753 13.0753 13.0999 13.0999 13.2014 13.2014 14.3831 14.3831 14.5589 14.5589 k = 0.0000 0.0000 0.2023 ( 13895 PWs) bands (ev): -36.1601 -36.1601 -36.1502 -36.1502 -9.9901 -9.9901 -7.7312 -7.7312 -7.2534 -7.2534 -7.1492 -7.1492 -6.1755 -6.1755 -6.0074 -6.0074 -1.0193 -1.0193 -0.9771 -0.9771 -0.4843 -0.4843 1.1476 1.1476 1.4562 1.4562 2.6428 2.6428 3.1239 3.1239 3.2825 3.2825 3.3711 3.3711 3.9281 3.9281 5.0260 5.0260 5.7626 5.7626 5.8261 5.8261 5.9573 5.9573 6.0995 6.0995 6.1306 6.1306 6.7100 6.7100 6.9988 6.9988 13.0089 13.0089 13.0198 13.0198 13.1466 13.1466 14.3686 14.3686 14.6511 14.6511 k = 0.0000 0.0000 0.1854 ( 13899 PWs) bands (ev): -36.1602 -36.1602 -36.1501 -36.1501 -10.0133 -10.0133 -7.6750 -7.6750 -7.2597 -7.2597 -7.1527 -7.1527 -6.1862 -6.1862 -6.0069 -6.0069 -0.9774 -0.9774 -0.9282 -0.9282 -0.5628 -0.5628 1.1244 1.1244 1.4395 1.4395 2.5805 2.5805 3.1429 3.1429 3.3080 3.3080 3.3228 3.3228 3.9672 3.9672 5.0527 5.0527 5.7727 5.7727 5.8234 5.8234 5.9640 5.9640 6.0880 6.0880 6.1585 6.1585 6.7052 6.7052 6.9694 6.9694 12.9440 12.9440 12.9449 12.9449 13.0945 13.0945 14.3551 14.3551 14.7329 14.7329 k = 0.0000 0.0000 0.1685 ( 13903 PWs) bands (ev): -36.1604 -36.1604 -36.1499 -36.1499 -10.0346 -10.0346 -7.6215 -7.6215 -7.2655 -7.2655 -7.1560 -7.1560 -6.1972 -6.1972 -6.0065 -6.0065 -0.9367 -0.9367 -0.8802 -0.8802 -0.6359 -0.6359 1.1029 1.1029 1.4242 1.4242 2.5159 2.5159 3.1645 3.1645 3.2479 3.2479 3.3608 3.3608 4.0028 4.0028 5.0796 5.0796 5.7783 5.7783 5.8211 5.8211 5.9704 5.9704 6.0445 6.0445 6.2190 6.2190 6.7021 6.7021 6.9409 6.9409 12.8734 12.8734 12.8838 12.8838 13.0456 13.0456 14.3427 14.3427 14.8025 14.8025 k = 0.0000 0.0000 0.1517 ( 13903 PWs) bands (ev): -36.1605 -36.1605 -36.1498 -36.1498 -10.0539 -10.0539 -7.5711 -7.5711 -7.2709 -7.2709 -7.1592 -7.1592 -6.2082 -6.2082 -6.0061 -6.0061 -0.8979 -0.8979 -0.8338 -0.8338 -0.7030 -0.7030 1.0833 1.0833 1.4103 1.4103 2.4519 2.4519 3.1849 3.1849 3.1927 3.1927 3.3966 3.3966 4.0350 4.0350 5.1067 5.1067 5.7813 5.7813 5.8193 5.8193 5.9762 5.9762 6.0007 6.0007 6.2789 6.2789 6.7004 6.7004 6.9139 6.9139 12.8082 12.8082 12.8262 12.8262 13.0001 13.0001 14.3313 14.3313 14.8592 14.8592 k = 0.0000 0.0000 0.1348 ( 13897 PWs) bands (ev): -36.1606 -36.1606 -36.1497 -36.1497 -10.0712 -10.0712 -7.5242 -7.5242 -7.2758 -7.2758 -7.1621 -7.1621 -6.2190 -6.2190 -6.0058 -6.0058 -0.8613 -0.8613 -0.7895 -0.7895 -0.7640 -0.7640 1.0656 1.0656 1.3977 1.3977 2.3903 2.3903 3.1372 3.1372 3.2086 3.2086 3.4298 3.4298 4.0638 4.0638 5.1336 5.1336 5.7829 5.7829 5.8179 5.8179 5.9562 5.9562 5.9826 5.9826 6.3361 6.3361 6.6995 6.6995 6.8886 6.8886 12.7488 12.7488 12.7728 12.7728 12.9584 12.9584 14.3211 14.3211 14.9037 14.9037 k = 0.0000 0.0000 0.1180 ( 13901 PWs) bands (ev): -36.1607 -36.1607 -36.1496 -36.1496 -10.0864 -10.0864 -7.4812 -7.4812 -7.2802 -7.2802 -7.1647 -7.1647 -6.2295 -6.2295 -6.0055 -6.0055 -0.8275 -0.8275 -0.8185 -0.8185 -0.7480 -0.7480 1.0498 1.0498 1.3866 1.3866 2.3326 2.3326 3.0885 3.0885 3.2286 3.2286 3.4600 3.4600 4.0893 4.0893 5.1600 5.1600 5.7838 5.7838 5.8168 5.8168 5.9140 5.9140 5.9874 5.9874 6.3891 6.3891 6.6992 6.6992 6.8655 6.8655 12.6956 12.6956 12.7241 12.7241 12.9209 12.9209 14.3119 14.3119 14.9375 14.9375 k = 0.0000 0.0000 0.1011 ( 13911 PWs) bands (ev): -36.1608 -36.1608 -36.1495 -36.1495 -10.0997 -10.0997 -7.4426 -7.4426 -7.2841 -7.2841 -7.1671 -7.1671 -6.2394 -6.2394 -6.0053 -6.0053 -0.8665 -0.8665 -0.7968 -0.7968 -0.7101 -0.7101 1.0359 1.0359 1.3770 1.3770 2.2799 2.2799 3.0448 3.0448 3.2466 3.2466 3.4871 3.4871 4.1114 4.1114 5.1857 5.1857 5.7843 5.7843 5.8160 5.8160 5.8736 5.8736 5.9918 5.9918 6.4369 6.4369 6.6993 6.6993 6.8449 6.8449 12.6488 12.6488 12.6806 12.6806 12.8878 12.8878 14.3039 14.3039 14.9625 14.9625 k = 0.0000 0.0000 0.0843 ( 13901 PWs) bands (ev): -36.1609 -36.1609 -36.1495 -36.1495 -10.1109 -10.1109 -7.4088 -7.4088 -7.2874 -7.2874 -7.1691 -7.1691 -6.2485 -6.2485 -6.0051 -6.0051 -0.9075 -0.9075 -0.7699 -0.7699 -0.6764 -0.6764 1.0241 1.0241 1.3688 1.3688 2.2333 2.2333 3.0068 3.0068 3.2623 3.2623 3.5105 3.5105 4.1302 4.1302 5.2100 5.2100 5.7846 5.7846 5.8154 5.8154 5.8361 5.8361 5.9957 5.9957 6.4784 6.4784 6.6996 6.6996 6.8271 6.8271 12.6089 12.6089 12.6429 12.6429 12.8594 12.8594 14.2971 14.2971 14.9806 14.9806 k = 0.0000 0.0000 0.0674 ( 13921 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -10.1201 -10.1201 -7.3804 -7.3804 -7.2902 -7.2902 -7.1708 -7.1708 -6.2565 -6.2565 -6.0049 -6.0049 -0.9413 -0.9413 -0.7472 -0.7472 -0.6476 -0.6476 1.0143 1.0143 1.3621 1.3621 2.1938 2.1938 2.9749 2.9749 3.2753 3.2753 3.5302 3.5302 4.1457 4.1457 5.2322 5.2322 5.7848 5.7848 5.8026 5.8026 5.8151 5.8151 5.9989 5.9989 6.5130 6.5130 6.7000 6.7000 6.8124 6.8124 12.5758 12.5758 12.6113 12.6113 12.8359 12.8359 14.2915 14.2915 14.9934 14.9934 k = 0.0000 0.0000 0.0506 ( 13941 PWs) bands (ev): -36.1610 -36.1610 -36.1494 -36.1494 -10.1272 -10.1272 -7.3578 -7.3578 -7.2924 -7.2924 -7.1721 -7.1721 -6.2631 -6.2631 -6.0048 -6.0048 -0.9678 -0.9678 -0.7291 -0.7291 -0.6244 -0.6244 1.0067 1.0067 1.3568 1.3568 2.1621 2.1621 2.9496 2.9496 3.2857 3.2857 3.5457 3.5457 4.1577 4.1577 5.2515 5.2515 5.7742 5.7742 5.7851 5.7851 5.8149 5.8149 6.0014 6.0014 6.5402 6.5402 6.7003 6.7003 6.8011 6.8011 12.5500 12.5500 12.5863 12.5863 12.8174 12.8174 14.2872 14.2872 15.0022 15.0022 k = 0.0000 0.0000 0.0337 ( 13949 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -10.1324 -10.1324 -7.3413 -7.3413 -7.2939 -7.2939 -7.1731 -7.1731 -6.2680 -6.2680 -6.0047 -6.0047 -0.9868 -0.9868 -0.7159 -0.7159 -0.6074 -0.6074 1.0012 1.0012 1.3531 1.3531 2.1389 2.1389 2.9312 2.9312 3.2931 3.2931 3.5570 3.5570 4.1663 4.1663 5.2666 5.2666 5.7525 5.7525 5.7852 5.7852 5.8147 5.8147 6.0033 6.0033 6.5597 6.5597 6.7006 6.7006 6.7931 6.7931 12.5314 12.5314 12.5682 12.5682 12.8042 12.8042 14.2840 14.2840 15.0079 15.0079 k = 0.0000 0.0000 0.0169 ( 13949 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -10.1354 -10.1354 -7.3312 -7.3312 -7.2948 -7.2948 -7.1737 -7.1737 -6.2711 -6.2711 -6.0046 -6.0046 -0.9983 -0.9983 -0.7079 -0.7079 -0.5970 -0.5970 0.9978 0.9978 1.3508 1.3508 2.1248 2.1248 2.9201 2.9201 3.2976 3.2976 3.5638 3.5638 4.1715 4.1715 5.2763 5.2763 5.7387 5.7387 5.7852 5.7852 5.8147 5.8147 6.0044 6.0044 6.5714 6.5714 6.7008 6.7008 6.7884 6.7884 12.5202 12.5202 12.5573 12.5573 12.7961 12.7961 14.2821 14.2821 15.0110 15.0110 k = 0.0000 0.0000 0.0000 ( 13949 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -10.1364 -10.1364 -7.3279 -7.3279 -7.2952 -7.2952 -7.1739 -7.1739 -6.2721 -6.2721 -6.0046 -6.0046 -1.0021 -1.0021 -0.7052 -0.7052 -0.5935 -0.5935 0.9967 0.9967 1.3501 1.3501 2.1200 2.1200 2.9164 2.9164 3.2991 3.2991 3.5661 3.5661 4.1732 4.1732 5.2797 5.2797 5.7340 5.7340 5.7853 5.7853 5.8146 5.8146 6.0047 6.0047 6.5753 6.5753 6.7009 6.7009 6.7868 6.7868 12.5165 12.5165 12.5536 12.5536 12.7935 12.7935 14.2815 14.2815 15.0120 15.0120 k = 0.0000 0.0000 0.0000 ( 13949 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -10.1364 -10.1364 -7.3279 -7.3279 -7.2952 -7.2952 -7.1739 -7.1739 -6.2721 -6.2721 -6.0046 -6.0046 -1.0021 -1.0021 -0.7052 -0.7052 -0.5935 -0.5935 0.9967 0.9967 1.3501 1.3501 2.1200 2.1200 2.9164 2.9164 3.2991 3.2991 3.5661 3.5661 4.1732 4.1732 5.2797 5.2797 5.7340 5.7340 5.7853 5.7853 5.8146 5.8146 6.0047 6.0047 6.5753 6.5753 6.7009 6.7009 6.7868 6.7868 12.5165 12.5165 12.5536 12.5536 12.7935 12.7935 14.2815 14.2815 15.0120 15.0120 k =-0.0143 0.0082-0.0000 ( 13939 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -10.1359 -10.1359 -7.3280 -7.3280 -7.2961 -7.2960 -7.1743 -7.1739 -6.2718 -6.2714 -6.0058 -6.0056 -1.0046 -1.0045 -0.7026 -0.7024 -0.5904 -0.5900 0.9964 0.9967 1.3519 1.3520 2.1188 2.1189 2.9158 2.9160 3.2948 3.2953 3.5693 3.5694 4.1744 4.1744 5.2790 5.2793 5.7225 5.7233 5.7834 5.7837 5.8264 5.8268 6.0017 6.0021 6.5754 6.5756 6.7008 6.7009 6.7867 6.7867 12.5166 12.5166 12.5568 12.5568 12.7955 12.7959 14.2832 14.2833 15.0047 15.0057 k =-0.0286 0.0164-0.0000 ( 13949 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -10.1342 -10.1342 -7.3285 -7.3284 -7.2988 -7.2985 -7.1752 -7.1744 -6.2705 -6.2696 -6.0091 -6.0087 -1.0117 -1.0115 -0.6947 -0.6942 -0.5810 -0.5802 0.9957 0.9964 1.3573 1.3575 2.1153 2.1156 2.9142 2.9146 3.2826 3.2836 3.5786 3.5788 4.1779 4.1780 5.2772 5.2778 5.6998 5.7010 5.7773 5.7779 5.8523 5.8529 5.9932 5.9940 6.5761 6.5764 6.7008 6.7010 6.7862 6.7862 12.5172 12.5173 12.5662 12.5663 12.8020 12.8028 14.2884 14.2885 14.9842 14.9861 k =-0.0429 0.0246-0.0000 ( 13933 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -10.1315 -10.1315 -7.3293 -7.3291 -7.3032 -7.3027 -7.1764 -7.1753 -6.2681 -6.2668 -6.0144 -6.0138 -1.0227 -1.0226 -0.6815 -0.6809 -0.5658 -0.5647 0.9947 0.9957 1.3663 1.3666 2.1095 2.1099 2.9118 2.9124 3.2639 3.2653 3.5930 3.5931 4.1837 4.1838 5.2739 5.2747 5.6759 5.6771 5.7664 5.7673 5.8828 5.8833 5.9797 5.9810 6.5772 6.5776 6.7008 6.7010 6.7854 6.7855 12.5184 12.5185 12.5819 12.5820 12.8128 12.8138 14.2969 14.2970 14.9518 14.9546 k =-0.0571 0.0328-0.0000 ( 13933 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -10.1277 -10.1277 -7.3304 -7.3302 -7.3093 -7.3087 -7.1780 -7.1764 -6.2648 -6.2630 -6.0217 -6.0209 -1.0369 -1.0367 -0.6633 -0.6624 -0.5458 -0.5443 0.9937 0.9950 1.3787 1.3791 2.1014 2.1020 2.9084 2.9092 3.2397 3.2416 3.6111 3.6112 4.1917 4.1919 5.2683 5.2692 5.6544 5.6556 5.7502 5.7514 5.9145 5.9149 5.9620 5.9638 6.5787 6.5792 6.7008 6.7011 6.7843 6.7844 12.5208 12.5208 12.6035 12.6037 12.8276 12.8289 14.3083 14.3084 14.9094 14.9129 k =-0.0714 0.0410-0.0000 ( 13915 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -10.1228 -10.1228 -7.3320 -7.3317 -7.3171 -7.3164 -7.1797 -7.1778 -6.2605 -6.2584 -6.0309 -6.0299 -1.0532 -1.0531 -0.6400 -0.6389 -0.5218 -0.5201 0.9927 0.9944 1.3945 1.3949 2.0912 2.0919 2.9042 2.9051 3.2112 3.2134 3.6321 3.6322 4.2019 4.2022 5.2597 5.2608 5.6371 5.6383 5.7280 5.7295 5.9411 5.9431 5.9465 5.9466 6.5806 6.5812 6.7007 6.7010 6.7829 6.7831 12.5246 12.5246 12.6308 12.6311 12.8460 12.8476 14.3223 14.3224 14.8592 14.8632 k =-0.0857 0.0492-0.0000 ( 13908 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -10.1168 -10.1168 -7.3342 -7.3338 -7.3265 -7.3257 -7.1813 -7.1792 -6.2555 -6.2530 -6.0417 -6.0405 -1.0710 -1.0709 -0.6121 -0.6108 -0.4946 -0.4927 0.9920 0.9940 1.4135 1.4139 2.0789 2.0797 2.8991 2.9003 3.1791 3.1817 3.6554 3.6554 4.2142 4.2144 5.2476 5.2486 5.6252 5.6262 5.6989 5.7007 5.9186 5.9212 5.9772 5.9773 6.5829 6.5835 6.7005 6.7009 6.7812 6.7814 12.5303 12.5304 12.6634 12.6637 12.8679 12.8696 14.3384 14.3384 14.8031 14.8076 k =-0.1000 0.0574-0.0000 ( 13904 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -10.1099 -10.1098 -7.3383 -7.3376 -7.3363 -7.3358 -7.1829 -7.1804 -6.2497 -6.2468 -6.0541 -6.0527 -1.0896 -1.0896 -0.5798 -0.5782 -0.4650 -0.4628 0.9918 0.9941 1.4354 1.4359 2.0647 2.0655 2.8933 2.8946 3.1440 3.1469 3.6804 3.6804 4.2283 4.2286 5.2315 5.2324 5.6192 5.6199 5.6623 5.6643 5.8951 5.8980 6.0071 6.0073 6.5855 6.5862 6.7002 6.7007 6.7792 6.7795 12.5384 12.5386 12.7008 12.7013 12.8929 12.8948 14.3560 14.3560 14.7432 14.7480 k =-0.1143 0.0656-0.0000 ( 13900 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -10.1019 -10.1019 -7.3507 -7.3497 -7.3401 -7.3397 -7.1841 -7.1814 -6.2433 -6.2401 -6.0678 -6.0663 -1.1086 -1.1085 -0.5434 -0.5416 -0.4333 -0.4309 0.9923 0.9949 1.4603 1.4608 2.0485 2.0494 2.8868 2.8883 3.1061 3.1094 3.7070 3.7070 4.2442 4.2445 5.2117 5.2124 5.6176 5.6181 5.6195 5.6208 5.8714 5.8745 6.0356 6.0361 6.5885 6.5892 6.6998 6.7003 6.7769 6.7772 12.5491 12.5494 12.7426 12.7432 12.9208 12.9228 14.3746 14.3747 14.6813 14.6863 k =-0.1286 0.0738-0.0000 ( 13906 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -10.0930 -10.0930 -7.3651 -7.3640 -7.3443 -7.3439 -7.1848 -7.1820 -6.2364 -6.2329 -6.0826 -6.0810 -1.1274 -1.1273 -0.5033 -0.5013 -0.4000 -0.3974 0.9939 0.9967 1.4878 1.4884 2.0306 2.0316 2.8796 2.8813 3.0660 3.0695 3.7349 3.7349 4.2616 4.2620 5.1886 5.1891 5.5658 5.5679 5.6239 5.6240 5.8477 5.8510 6.0628 6.0635 6.5918 6.5924 6.6991 6.6997 6.7743 6.7748 12.5628 12.5633 12.7883 12.7890 12.9514 12.9534 14.3938 14.3939 14.6188 14.6239 k =-0.1429 0.0821-0.0000 ( 13904 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -10.0832 -10.0831 -7.3810 -7.3798 -7.3492 -7.3488 -7.1850 -7.1820 -6.2291 -6.2253 -6.0984 -6.0967 -1.1459 -1.1457 -0.4599 -0.4577 -0.3654 -0.3626 0.9967 0.9999 1.5179 1.5185 2.0111 2.0121 2.8719 2.8737 3.0237 3.0276 3.7640 3.7641 4.2805 4.2809 5.1629 5.1632 5.5067 5.5089 5.6329 5.6334 5.8239 5.8272 6.0886 6.0894 6.5953 6.5959 6.6982 6.6989 6.7715 6.7721 12.5798 12.5805 12.8372 12.8380 12.9844 12.9865 14.4131 14.4131 14.5573 14.5623 k =-0.1571 0.0903-0.0000 ( 13896 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -10.0725 -10.0724 -7.3984 -7.3972 -7.3548 -7.3545 -7.1845 -7.1814 -6.2215 -6.2175 -6.1149 -6.1131 -1.1638 -1.1635 -0.4138 -0.4114 -0.3298 -0.3269 1.0012 1.0046 1.5504 1.5510 1.9901 1.9912 2.8636 2.8655 2.9797 2.9838 3.7943 3.7943 4.3006 4.3010 5.1354 5.1356 5.4413 5.4434 5.6455 5.6462 5.7997 5.8029 6.1129 6.1139 6.5991 6.5997 6.6969 6.6977 6.7685 6.7692 12.6003 12.6011 12.8887 12.8897 13.0198 13.0219 14.4318 14.4320 14.4978 14.5026 k =-0.1714 0.0985-0.0000 ( 13904 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -10.0610 -10.0609 -7.4173 -7.4159 -7.3612 -7.3609 -7.1834 -7.1802 -6.2137 -6.2095 -6.1319 -6.1300 -1.1808 -1.1805 -0.3654 -0.3628 -0.2935 -0.2903 1.0075 1.0112 1.5852 1.5858 1.9678 1.9689 2.8548 2.8567 2.9340 2.9384 3.8255 3.8256 4.3217 4.3221 5.1068 5.1069 5.3703 5.3724 5.6607 5.6617 5.7746 5.7779 6.1358 6.1370 6.6032 6.6037 6.6953 6.6961 6.7654 6.7662 12.6242 12.6253 12.9421 12.9433 13.0572 13.0594 14.4394 14.4457 14.4506 14.4519 k =-0.1857 0.1067-0.0000 ( 13914 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -10.0487 -10.0486 -7.4374 -7.4360 -7.3682 -7.3680 -7.1815 -7.1783 -6.2058 -6.2015 -6.1492 -6.1473 -1.1969 -1.1965 -0.3154 -0.3126 -0.2565 -0.2532 1.0161 1.0200 1.6220 1.6227 1.9444 1.9455 2.8456 2.8474 2.8869 2.8917 3.8577 3.8577 4.3437 4.3441 5.0776 5.0778 5.2946 5.2966 5.6777 5.6791 5.7486 5.7517 6.1573 6.1587 6.6074 6.6078 6.6932 6.6940 6.7621 6.7631 12.6518 12.6530 12.9967 12.9981 13.0966 13.0987 14.3883 14.3932 14.4676 14.4678 k =-0.2000 0.1149-0.0000 ( 13904 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -10.0357 -10.0357 -7.4588 -7.4574 -7.3758 -7.3757 -7.1790 -7.1759 -6.1979 -6.1935 -6.1667 -6.1647 -1.2119 -1.2114 -0.2643 -0.2614 -0.2191 -0.2157 1.0274 1.0316 1.6608 1.6614 1.9200 1.9212 2.8355 2.8356 2.8391 2.8459 3.8906 3.8907 4.3663 4.3666 5.0483 5.0486 5.2148 5.2168 5.6960 5.6973 5.7215 5.7243 6.1777 6.1792 6.6118 6.6122 6.6907 6.6915 6.7589 6.7599 12.6828 12.6843 13.0517 13.0534 13.1378 13.1398 14.3408 14.3453 14.4839 14.4839 k =-0.2143 0.1231-0.0000 ( 13904 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -10.0221 -10.0221 -7.4812 -7.4798 -7.3838 -7.3838 -7.1759 -7.1728 -6.1901 -6.1856 -6.1840 -6.1820 -1.2258 -1.2253 -0.2129 -0.2098 -0.1814 -0.1778 1.0418 1.0463 1.7013 1.7019 1.8950 1.8961 2.7895 2.7936 2.8258 2.8289 3.9242 3.9242 4.3892 4.3895 5.0193 5.0197 5.1316 5.1336 5.6917 5.6955 5.7150 5.7174 6.1970 6.1987 6.6164 6.6167 6.6876 6.6884 6.7556 6.7567 12.7174 12.7191 13.1063 13.1084 13.1804 13.1824 14.2990 14.3031 14.4988 14.4989 k =-0.2286 0.1313-0.0000 ( 13908 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -10.0080 -10.0080 -7.5045 -7.5031 -7.3922 -7.3922 -7.1723 -7.1692 -6.2012 -6.1992 -6.1825 -6.1779 -1.2386 -1.2380 -0.1618 -0.1585 -0.1436 -0.1399 1.0598 1.0645 1.7433 1.7440 1.8693 1.8704 2.7397 2.7442 2.8152 2.8181 3.9583 3.9583 4.4123 4.4125 4.9910 4.9914 5.0458 5.0478 5.6617 5.6652 5.7340 5.7363 6.2155 6.2172 6.6211 6.6213 6.6840 6.6847 6.7524 6.7536 12.7553 12.7572 13.1597 13.1621 13.2245 13.2264 14.2636 14.2673 14.5125 14.5126 k =-0.2429 0.1395-0.0000 ( 13904 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.9935 -9.9934 -7.5287 -7.5273 -7.4009 -7.4008 -7.1682 -7.1652 -6.2180 -6.2160 -6.1751 -6.1705 -1.2501 -1.2495 -0.1117 -0.1084 -0.1058 -0.1020 1.0818 1.0867 1.7867 1.7873 1.8434 1.8445 2.6894 2.6941 2.8042 2.8070 3.9927 3.9927 4.4351 4.4352 4.9579 4.9602 4.9634 4.9642 5.6300 5.6334 5.7527 5.7551 6.2332 6.2350 6.6260 6.6260 6.6797 6.6805 6.7492 6.7506 12.7963 12.7984 13.2110 13.2139 13.2696 13.2714 14.2354 14.2386 14.5248 14.5251 k =-0.2571 0.1477-0.0000 ( 13914 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.9786 -9.9785 -7.5534 -7.5520 -7.4096 -7.4095 -7.1638 -7.1609 -6.2343 -6.2323 -6.1680 -6.1635 -1.2605 -1.2599 -0.0682 -0.0643 -0.0634 -0.0599 1.1083 1.1133 1.8173 1.8183 1.8311 1.8318 2.6390 2.6438 2.7926 2.7955 4.0272 4.0273 4.4571 4.4572 4.8694 4.8717 4.9368 4.9375 5.5968 5.6001 5.7708 5.7733 6.2505 6.2523 6.6309 6.6309 6.6749 6.6756 6.7462 6.7476 12.8402 12.8425 13.2596 13.2629 13.3155 13.3172 14.2151 14.2177 14.5358 14.5362 k =-0.2714 0.1559-0.0000 ( 13918 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.9634 -9.9633 -7.5786 -7.5772 -7.4184 -7.4182 -7.1591 -7.1563 -6.2500 -6.2481 -6.1613 -6.1568 -1.2697 -1.2690 -0.0309 -0.0268 -0.0175 -0.0140 1.1396 1.1447 1.7914 1.7923 1.8763 1.8770 2.5887 2.5935 2.7804 2.7834 4.0617 4.0619 4.4770 4.4775 4.7811 4.7838 4.9114 4.9121 5.5623 5.5656 5.7878 5.7903 6.2673 6.2692 6.6358 6.6359 6.6695 6.6702 6.7432 6.7447 12.8867 12.8893 13.3046 13.3083 13.3620 13.3635 14.2030 14.2050 14.5455 14.5459 k =-0.2857 0.1641-0.0000 ( 13918 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.9481 -9.9481 -7.6039 -7.6025 -7.4271 -7.4268 -7.1542 -7.1514 -6.2650 -6.2631 -6.1549 -6.1505 -1.2777 -1.2771 0.0060 0.0101 0.0255 0.0289 1.1761 1.1813 1.7659 1.7667 1.9221 1.9227 2.5387 2.5435 2.7675 2.7706 4.0959 4.0962 4.4922 4.4934 4.6964 4.6998 4.8871 4.8879 5.5266 5.5298 5.8036 5.8062 6.2839 6.2858 6.6407 6.6410 6.6635 6.6642 6.7404 6.7420 12.9356 12.9383 13.3456 13.3498 13.4087 13.4101 14.1993 14.2007 14.5536 14.5542 k =-0.3000 0.1723-0.0000 ( 13918 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.9328 -9.9327 -7.6292 -7.6279 -7.4355 -7.4352 -7.1491 -7.1465 -6.2792 -6.2774 -6.1490 -6.1447 -1.2847 -1.2840 0.0422 0.0464 0.0650 0.0684 1.2178 1.2230 1.7409 1.7415 1.9680 1.9686 2.4893 2.4941 2.7539 2.7570 4.1297 4.1300 4.4921 4.4945 4.6260 4.6305 4.8641 4.8649 5.4900 5.4931 5.8180 5.8206 6.3004 6.3022 6.6455 6.6460 6.6570 6.6577 6.7378 6.7394 12.9864 12.9894 13.3825 13.3870 13.4552 13.4565 14.2038 14.2046 14.5601 14.5608 k =-0.3143 0.1805-0.0000 ( 13930 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.9176 -9.9176 -7.6543 -7.6530 -7.4437 -7.4434 -7.1440 -7.1415 -6.2926 -6.2909 -6.1435 -6.1393 -1.2906 -1.2899 0.0777 0.0818 0.1008 0.1041 1.2648 1.2700 1.7166 1.7172 2.0138 2.0144 2.4409 2.4456 2.7392 2.7424 4.1628 4.1631 4.4528 4.4549 4.5963 4.6006 4.8424 4.8433 5.4527 5.4558 5.8310 5.8335 6.3168 6.3185 6.6482 6.6488 6.6521 6.6528 6.7353 6.7369 13.0389 13.0420 13.4152 13.4200 13.5012 13.5023 14.2161 14.2163 14.5648 14.5655 k =-0.3286 0.1887-0.0000 ( 13934 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.9027 -9.9026 -7.6788 -7.6776 -7.4515 -7.4512 -7.1389 -7.1366 -6.3051 -6.3035 -6.1384 -6.1344 -1.2955 -1.2949 0.1120 0.1162 0.1327 0.1358 1.3168 1.3220 1.6935 1.6939 2.0590 2.0596 2.3937 2.3983 2.7235 2.7267 4.1950 4.1954 4.3806 4.3816 4.6009 4.6041 4.8221 4.8230 5.4150 5.4180 5.8423 5.8447 6.3330 6.3346 6.6419 6.6420 6.6563 6.6565 6.7329 6.7346 13.0926 13.0958 13.4444 13.4494 13.5462 13.5471 14.2348 14.2350 14.5675 14.5682 k =-0.3429 0.1969-0.0000 ( 13928 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.8882 -9.8881 -7.7026 -7.7015 -7.4590 -7.4586 -7.1340 -7.1318 -6.3167 -6.3151 -6.1338 -6.1300 -1.2995 -1.2990 0.1452 0.1492 0.1608 0.1637 1.3735 1.3786 1.6715 1.6718 2.1033 2.1038 2.3482 2.3525 2.7063 2.7096 4.2260 4.2264 4.2992 4.2996 4.6154 4.6180 4.8031 4.8041 5.3774 5.3803 5.8522 5.8545 6.3492 6.3507 6.6338 6.6340 6.6610 6.6614 6.7306 6.7323 13.1471 13.1506 13.4706 13.4757 13.5895 13.5903 14.2587 14.2594 14.5679 14.5687 k =-0.3571 0.2051-0.0000 ( 13918 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.8742 -9.8741 -7.7255 -7.7245 -7.4659 -7.4656 -7.1292 -7.1271 -6.3273 -6.3258 -6.1296 -6.1261 -1.3028 -1.3022 0.1768 0.1808 0.1851 0.1878 1.4342 1.4392 1.6510 1.6511 2.1461 2.1466 2.3045 2.3086 2.6876 2.6909 4.2170 4.2170 4.2557 4.2561 4.6322 4.6345 4.7856 4.7866 5.3402 5.3430 5.8606 5.8627 6.3653 6.3666 6.6254 6.6254 6.6658 6.6664 6.7284 6.7302 13.2022 13.2057 13.4947 13.4998 13.6307 13.6313 14.2864 14.2874 14.5659 14.5669 k =-0.3714 0.2133-0.0000 ( 13924 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.8609 -9.8609 -7.7471 -7.7461 -7.4723 -7.4720 -7.1246 -7.1227 -6.3369 -6.3356 -6.1259 -6.1227 -1.3053 -1.3048 0.2059 0.2067 0.2083 0.2105 1.4982 1.5032 1.6321 1.6322 2.1870 2.1875 2.2632 2.2670 2.6669 2.6703 4.1370 4.1371 4.2836 4.2841 4.6492 4.6513 4.7695 4.7705 5.3039 5.3066 5.8676 5.8696 6.3811 6.3822 6.6165 6.6166 6.6705 6.6712 6.7263 6.7281 13.2573 13.2609 13.5174 13.5224 13.6688 13.6692 14.3157 14.3171 14.5447 14.5461 k =-0.3857 0.2215-0.0000 ( 13924 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.8485 -9.8484 -7.7672 -7.7664 -7.4782 -7.4779 -7.1203 -7.1186 -6.3455 -6.3443 -6.1226 -6.1197 -1.3073 -1.3068 0.2234 0.2256 0.2346 0.2382 1.5644 1.5695 1.6149 1.6153 2.2220 2.2256 2.2281 2.2284 2.6442 2.6476 4.0610 4.0612 4.3096 4.3101 4.6657 4.6676 4.7549 4.7558 5.2690 5.2716 5.8733 5.8751 6.3966 6.3975 6.6074 6.6074 6.6751 6.6759 6.7242 6.7260 13.3120 13.3156 13.5394 13.5442 13.7031 13.7032 14.3428 14.3447 14.4855 14.4864 k =-0.4000 0.2297-0.0000 ( 13934 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.8371 -9.8370 -7.7856 -7.7848 -7.4834 -7.4832 -7.1163 -7.1149 -6.3531 -6.3521 -6.1198 -6.1171 -1.3087 -1.3083 0.2381 0.2400 0.2602 0.2635 1.5987 1.5994 1.6337 1.6373 2.1887 2.1921 2.2614 2.2615 2.6191 2.6226 3.9903 3.9905 4.3334 4.3340 4.6812 4.6829 4.7418 4.7427 5.2360 5.2384 5.8780 5.8796 6.4116 6.4124 6.5980 6.5981 6.6796 6.6804 6.7221 6.7239 13.3658 13.3694 13.5610 13.5656 13.7323 13.7324 14.3557 14.3583 14.4430 14.4443 k =-0.4143 0.2379-0.0000 ( 13918 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.8268 -9.8268 -7.8021 -7.8014 -7.4881 -7.4878 -7.1128 -7.1115 -6.3597 -6.3588 -6.1173 -6.1150 -1.3097 -1.3093 0.2501 0.2517 0.2832 0.2862 1.5860 1.5861 1.7011 1.7050 2.1567 2.1597 2.2934 2.2936 2.5919 2.5953 3.9260 3.9263 4.3549 4.3554 4.6954 4.6970 4.7302 4.7310 5.2056 5.2078 5.8817 5.8831 6.4261 6.4268 6.5885 6.5886 6.6838 6.6848 6.7200 6.7218 13.4183 13.4218 13.5825 13.5867 13.7554 13.7557 14.3312 14.3332 14.4420 14.4425 k =-0.4286 0.2462-0.0000 ( 13914 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.8179 -9.8179 -7.8164 -7.8158 -7.4920 -7.4918 -7.1097 -7.1086 -6.3653 -6.3645 -6.1152 -6.1132 -1.3104 -1.3100 0.2598 0.2611 0.3033 0.3059 1.5749 1.5749 1.7675 1.7713 2.1287 2.1312 2.3214 2.3215 2.5627 2.5660 3.8694 3.8697 4.3737 4.3742 4.7081 4.7095 4.7203 4.7209 5.1783 5.1803 5.8846 5.8857 6.4399 6.4404 6.5790 6.5791 6.6879 6.6890 6.7179 6.7196 13.4686 13.4720 13.6037 13.6075 13.7716 13.7722 14.2876 14.2890 14.4624 14.4625 k =-0.4429 0.2544-0.0000 ( 13928 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.8104 -9.8104 -7.8283 -7.8279 -7.4953 -7.4951 -7.1071 -7.1062 -6.3698 -6.3692 -6.1135 -6.1119 -1.3108 -1.3105 0.2674 0.2685 0.3203 0.3224 1.5658 1.5659 1.8305 1.8339 2.1050 2.1071 2.3447 2.3448 2.5325 2.5357 3.8215 3.8218 4.3895 4.3900 4.7115 4.7124 4.7193 4.7207 5.1548 5.1565 5.8867 5.8877 6.4528 6.4531 6.5696 6.5698 6.6918 6.6929 6.7156 6.7173 13.5159 13.5191 13.6239 13.6272 13.7803 13.7811 14.2444 14.2455 14.4843 14.4846 k =-0.4571 0.2626-0.0000 ( 13926 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.8044 -9.8044 -7.8378 -7.8375 -7.4978 -7.4977 -7.1050 -7.1043 -6.3733 -6.3729 -6.1121 -6.1109 -1.3110 -1.3108 0.2731 0.2739 0.3338 0.3355 1.5587 1.5588 1.8873 1.8903 2.0862 2.0878 2.3627 2.3627 2.5034 2.5062 3.7832 3.7834 4.4022 4.4026 4.7050 4.7056 4.7283 4.7294 5.1357 5.1371 5.8883 5.8890 6.4645 6.4647 6.5608 6.5609 6.6955 6.6967 6.7133 6.7149 13.5590 13.5617 13.6423 13.6450 13.7817 13.7828 14.2069 14.2078 14.5033 14.5038 k =-0.4714 0.2708-0.0000 ( 13932 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.8001 -9.8001 -7.8446 -7.8444 -7.4996 -7.4995 -7.1034 -7.1030 -6.3758 -6.3755 -6.1111 -6.1103 -1.3112 -1.3110 0.2771 0.2776 0.3438 0.3449 1.5537 1.5538 1.9341 1.9364 2.0725 2.0736 2.3747 2.3747 2.4784 2.4806 3.7553 3.7554 4.4115 4.4117 4.7002 4.7006 4.7352 4.7359 5.1216 5.1226 5.8894 5.8899 6.4744 6.4745 6.5529 6.5531 6.6989 6.7002 6.7108 6.7124 13.5955 13.5977 13.6575 13.6595 13.7774 13.7785 14.1779 14.1786 14.5174 14.5180 k =-0.4857 0.2790-0.0000 ( 13936 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.7975 -9.7974 -7.8488 -7.8487 -7.5007 -7.5007 -7.1025 -7.1022 -6.3773 -6.3771 -6.1104 -6.1100 -1.3112 -1.3111 0.2795 0.2798 0.3499 0.3505 1.5508 1.5508 1.9660 1.9672 2.0643 2.0649 2.3807 2.3807 2.4619 2.4631 3.7383 3.7384 4.4171 4.4173 4.6973 4.6976 4.7395 4.7399 5.1130 5.1135 5.8901 5.8903 6.4814 6.4814 6.5471 6.5472 6.7021 6.7034 6.7083 6.7098 13.6218 13.6231 13.6680 13.6691 13.7708 13.7716 14.1595 14.1599 14.5244 14.5249 k =-0.5000 0.2872-0.0000 ( 13928 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.7966 -9.7966 -7.8501 -7.8501 -7.5011 -7.5011 -7.1021 -7.1021 -6.3777 -6.3777 -6.1100 -6.1100 -1.3112 -1.3112 0.2804 0.2804 0.3522 0.3522 1.5498 1.5498 1.9778 1.9778 2.0618 2.0618 2.3822 2.3822 2.4566 2.4566 3.7327 3.7327 4.4191 4.4191 4.6965 4.6965 4.7411 4.7411 5.1103 5.1103 5.8904 5.8904 6.4840 6.4840 6.5450 6.5450 6.7047 6.7047 6.7073 6.7073 13.6322 13.6322 13.6721 13.6721 13.7677 13.7677 14.1533 14.1533 14.5258 14.5258 k =-0.5000 0.2872-0.0000 ( 13928 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.7966 -9.7966 -7.8501 -7.8501 -7.5011 -7.5011 -7.1021 -7.1021 -6.3777 -6.3777 -6.1100 -6.1100 -1.3112 -1.3112 0.2804 0.2804 0.3522 0.3522 1.5498 1.5498 1.9778 1.9778 2.0618 2.0618 2.3822 2.3822 2.4566 2.4566 3.7327 3.7327 4.4191 4.4191 4.6965 4.6965 4.7411 4.7411 5.1103 5.1103 5.8904 5.8904 6.4840 6.4840 6.5450 6.5450 6.7047 6.7047 6.7073 6.7073 13.6322 13.6322 13.6721 13.6721 13.7677 13.7677 14.1533 14.1533 14.5258 14.5258 k =-0.4916 0.3018-0.0000 ( 13924 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.7956 -9.7956 -7.8578 -7.8573 -7.4952 -7.4947 -7.1017 -7.1014 -6.3788 -6.3782 -6.1096 -6.1093 -1.3106 -1.3105 0.2697 0.2697 0.3663 0.3668 1.5404 1.5428 1.9837 1.9863 2.0469 2.0479 2.3936 2.3940 2.4575 2.4575 3.7336 3.7336 4.4157 4.4175 4.6949 4.6954 4.7405 4.7427 5.1124 5.1132 5.8919 5.8921 6.4837 6.4840 6.5425 6.5434 6.7038 6.7047 6.7065 6.7069 13.5594 13.5681 13.7351 13.7452 13.7678 13.7683 14.1538 14.1548 14.4707 14.4765 k =-0.4832 0.3163-0.0000 ( 13932 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.7928 -9.7927 -7.8790 -7.8781 -7.4784 -7.4774 -7.1002 -7.0998 -6.3816 -6.3804 -6.1081 -6.1075 -1.3089 -1.3087 0.2493 0.2496 0.3974 0.3983 1.5163 1.5206 2.0017 2.0058 2.0106 2.0118 2.4174 2.4177 2.4654 2.4658 3.7363 3.7364 4.4075 4.4109 4.6908 4.6919 4.7409 4.7452 5.1195 5.1209 5.8967 5.8971 6.4829 6.4837 6.5361 6.5378 6.7020 6.7038 6.7047 6.7055 13.4760 13.4842 13.7679 13.7693 13.8160 13.8276 14.1564 14.1583 14.4207 14.4260 k =-0.4749 0.3309-0.0000 ( 13940 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.7880 -9.7880 -7.9105 -7.9094 -7.4538 -7.4525 -7.0978 -7.0971 -6.3859 -6.3843 -6.1056 -6.1047 -1.3061 -1.3058 0.2290 0.2296 0.4357 0.4369 1.4809 1.4866 1.9572 1.9593 2.0320 2.0381 2.4269 2.4272 2.4975 2.4983 3.7408 3.7409 4.3947 4.3996 4.6847 4.6862 4.7421 4.7484 5.1312 5.1333 5.9046 5.9052 6.4819 6.4831 6.5260 6.5284 6.6991 6.7016 6.7019 6.7032 13.3948 13.4025 13.7686 13.7707 13.8892 13.9021 14.1611 14.1638 14.3808 14.3853 k =-0.4665 0.3455-0.0000 ( 13944 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.7813 -9.7813 -7.9494 -7.9481 -7.4242 -7.4227 -7.0943 -7.0934 -6.3918 -6.3897 -6.1021 -6.1009 -1.3020 -1.3016 0.2114 0.2122 0.4786 0.4801 1.4378 1.4443 1.8983 1.9008 2.0674 2.0746 2.4226 2.4231 2.5470 2.5479 3.7471 3.7472 4.3777 4.3837 4.6772 4.6790 4.7440 4.7519 5.1471 5.1496 5.9154 5.9162 6.4805 6.4822 6.5125 6.5155 6.6950 6.6980 6.6982 6.6998 13.3174 13.3246 13.7696 13.7723 13.9456 13.9597 14.1680 14.1717 14.3588 14.3624 k =-0.4581 0.3601-0.0000 ( 13936 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.7728 -9.7727 -7.9934 -7.9921 -7.3919 -7.3902 -7.0898 -7.0887 -6.3991 -6.3966 -6.0977 -6.0964 -1.2969 -1.2964 0.1971 0.1982 0.5250 0.5269 1.3893 1.3963 1.8355 1.8383 2.1068 2.1146 2.4130 2.4137 2.6021 2.6029 3.7550 3.7552 4.3566 4.3636 4.6687 4.6708 4.7463 4.7555 5.1665 5.1694 5.9289 5.9299 6.4788 6.4809 6.4959 6.4993 6.6893 6.6933 6.6933 6.6953 13.2448 13.2515 13.7707 13.7739 13.9746 13.9894 14.1774 14.1819 14.3644 14.3678 k =-0.4497 0.3747-0.0000 ( 13942 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.7623 -9.7623 -8.0411 -8.0397 -7.3582 -7.3565 -7.0844 -7.0830 -6.4079 -6.4049 -6.0926 -6.0911 -1.2907 -1.2901 0.1865 0.1879 0.5744 0.5766 1.3375 1.3448 1.7706 1.7737 2.1484 2.1567 2.4001 2.4009 2.6588 2.6595 3.7646 3.7647 4.3319 4.3395 4.6601 4.6623 4.7486 4.7590 5.1890 5.1922 5.9447 5.9458 6.4756 6.4777 6.4791 6.4806 6.6819 6.6864 6.6878 6.6902 13.1777 13.1839 13.7716 13.7753 13.9729 13.9874 14.1895 14.1946 14.4004 14.4043 k =-0.4414 0.3893-0.0000 ( 13940 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.7500 -9.7499 -8.0915 -8.0901 -7.3240 -7.3223 -7.0779 -7.0764 -6.4179 -6.4146 -6.0869 -6.0852 -1.2834 -1.2827 0.1797 0.1814 0.6264 0.6290 1.2836 1.2910 1.7047 1.7079 2.1911 2.1998 2.3843 2.3853 2.7156 2.7162 3.7756 3.7758 4.3038 4.3119 4.6519 4.6542 4.7508 4.7620 5.2140 5.2175 5.9623 5.9636 6.4544 6.4583 6.4747 6.4778 6.6725 6.6774 6.6819 6.6848 13.1166 13.1224 13.7722 13.7763 13.9489 13.9626 14.2044 14.2102 14.4574 14.4623 k =-0.4330 0.4039-0.0000 ( 13940 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.7358 -9.7357 -8.1440 -8.1426 -7.2899 -7.2881 -7.0706 -7.0688 -6.4293 -6.4257 -6.0806 -6.0789 -1.2752 -1.2744 0.1767 0.1786 0.6802 0.6833 1.2289 1.2362 1.6383 1.6418 2.2344 2.2434 2.3658 2.3670 2.7716 2.7720 3.7881 3.7883 4.2726 4.2809 4.6445 4.6468 4.7526 4.7645 5.2413 5.2448 5.9813 5.9828 6.4301 6.4342 6.4721 6.4759 6.6609 6.6660 6.6759 6.6793 13.0622 13.0676 13.7722 13.7766 13.9129 13.9259 14.2223 14.2287 14.5245 14.5302 k =-0.4246 0.4184-0.0000 ( 13932 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.7197 -9.7196 -8.1981 -8.1967 -7.2561 -7.2543 -7.0623 -7.0602 -6.4418 -6.4379 -6.0740 -6.0722 -1.2660 -1.2651 0.1773 0.1794 0.7351 0.7388 1.1746 1.1817 1.5721 1.5758 2.2778 2.2869 2.3448 2.3461 2.8263 2.8265 3.8019 3.8021 4.2383 4.2467 4.6385 4.6408 4.7539 4.7664 5.2703 5.2739 6.0011 6.0028 6.4038 6.4079 6.4692 6.4737 6.6470 6.6523 6.6701 6.6741 13.0149 13.0198 13.7714 13.7762 13.8717 13.8840 14.2435 14.2503 14.5944 14.6005 k =-0.4162 0.4330-0.0000 ( 13918 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.7017 -9.7016 -8.2534 -8.2521 -7.2229 -7.2211 -7.0531 -7.0508 -6.4554 -6.4514 -6.0671 -6.0654 -1.2560 -1.2550 0.1814 0.1838 0.7891 0.7935 1.1230 1.1296 1.5064 1.5103 2.3187 2.3209 2.3250 2.3305 2.8792 2.8792 3.8169 3.8170 4.2013 4.2096 4.6343 4.6365 4.7546 4.7674 5.3008 5.3045 6.0210 6.0228 6.3757 6.3798 6.4661 6.4713 6.6308 6.6363 6.6650 6.6697 12.9749 12.9795 13.7698 13.7747 13.8286 13.8404 14.2679 14.2752 14.6631 14.6695 k =-0.4079 0.4476-0.0000 ( 13906 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.6819 -9.6818 -8.3097 -8.3084 -7.1903 -7.1885 -7.0431 -7.0406 -6.4702 -6.4660 -6.0601 -6.0584 -1.2452 -1.2441 0.1888 0.1914 0.8375 0.8432 1.0792 1.0847 1.4416 1.4456 2.2949 2.2963 2.3643 2.3734 2.9298 2.9299 3.8330 3.8331 4.1616 4.1699 4.6322 4.6342 4.7545 4.7677 5.3326 5.3363 6.0404 6.0424 6.3460 6.3501 6.4624 6.4684 6.6122 6.6178 6.6613 6.6666 12.9426 12.9468 13.7671 13.7720 13.7856 13.7970 14.2956 14.3032 14.7289 14.7353 k =-0.3995 0.4622-0.0000 ( 13922 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.6603 -9.6601 -8.3667 -8.3655 -7.1585 -7.1567 -7.0322 -7.0295 -6.4860 -6.4816 -6.0531 -6.0514 -1.2338 -1.2326 0.1991 0.2018 0.8675 0.8752 1.0561 1.0598 1.3779 1.3821 2.2661 2.2678 2.4068 2.4161 2.9778 2.9781 3.8501 3.8502 4.1194 4.1275 4.6325 4.6344 4.7537 4.7671 5.3653 5.3690 6.0585 6.0606 6.3150 6.3189 6.4582 6.4649 6.5913 6.5969 6.6595 6.6654 12.9182 12.9220 13.7435 13.7545 13.7634 13.7684 14.3266 14.3344 14.7640 14.7640 k =-0.3911 0.4768-0.0000 ( 13910 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.6369 -9.6367 -8.4243 -8.4231 -7.1273 -7.1255 -7.0206 -7.0177 -6.5027 -6.4982 -6.0461 -6.0444 -1.2217 -1.2205 0.2117 0.2146 0.8618 0.8711 1.0715 1.0739 1.3156 1.3200 2.2349 2.2367 2.4491 2.4584 3.0230 3.0234 3.8682 3.8682 4.0750 4.0830 4.6355 4.6371 4.7520 4.7656 5.3988 5.4024 6.0745 6.0768 6.2829 6.2867 6.4531 6.4606 6.5682 6.5738 6.6606 6.6670 12.9018 12.9051 13.7032 13.7138 13.7584 13.7635 14.3606 14.3685 14.7340 14.7342 k =-0.3827 0.4914-0.0000 ( 13898 PWs) bands (ev): -36.1609 -36.1609 -36.1493 -36.1493 -9.6116 -9.6114 -8.4823 -8.4812 -7.0969 -7.0951 -7.0083 -7.0051 -6.5204 -6.5158 -6.0393 -6.0376 -1.2093 -1.2079 0.2259 0.2290 0.8286 0.8380 1.1177 1.1202 1.2551 1.2595 2.2012 2.2032 2.4910 2.5004 3.0649 3.0653 3.8872 3.8873 4.0287 4.0364 4.6412 4.6426 4.7495 4.7632 5.4328 5.4363 6.0879 6.0904 6.2499 6.2536 6.4471 6.4551 6.5429 6.5485 6.6651 6.6720 12.8934 12.8963 13.6648 13.6751 13.7524 13.7574 14.3968 14.4048 14.7031 14.7036 k =-0.3744 0.5059-0.0000 ( 13898 PWs) bands (ev): -36.1609 -36.1609 -36.1493 -36.1493 -9.5846 -9.5843 -8.5405 -8.5394 -7.0672 -7.0654 -6.9953 -6.9919 -6.5390 -6.5343 -6.0327 -6.0311 -1.1965 -1.1950 0.2406 0.2439 0.7859 0.7951 1.1770 1.1806 1.1970 1.2011 2.1650 2.1672 2.5327 2.5421 3.1030 3.1035 3.9073 3.9073 3.9809 3.9884 4.6498 4.6509 4.7459 4.7597 5.4672 5.4705 6.0983 6.1009 6.2164 6.2200 6.4399 6.4484 6.5157 6.5212 6.6736 6.6807 12.8929 12.8955 13.6287 13.6385 13.7454 13.7502 14.4341 14.4419 14.6730 14.6738 k =-0.3660 0.5205-0.0000 ( 13900 PWs) bands (ev): -36.1609 -36.1609 -36.1493 -36.1493 -9.5558 -9.5555 -8.5989 -8.5978 -7.0381 -7.0364 -6.9816 -6.9781 -6.5585 -6.5537 -6.0263 -6.0248 -1.1835 -1.1820 0.2542 0.2577 0.7429 0.7518 1.1397 1.1448 1.2439 1.2469 2.1265 2.1287 2.5741 2.5835 3.1366 3.1372 3.9275 3.9280 3.9330 3.9399 4.6613 4.6622 4.7412 4.7551 5.5016 5.5048 6.1052 6.1080 6.1827 6.1861 6.4315 6.4402 6.4866 6.4920 6.6863 6.6935 12.9004 12.9026 13.5949 13.6043 13.7373 13.7420 14.4688 14.4761 14.6471 14.6487 k =-0.3576 0.5351-0.0000 ( 13902 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.5252 -9.5249 -8.6572 -8.6562 -7.0097 -7.0080 -6.9674 -6.9637 -6.5787 -6.5739 -6.0203 -6.0189 -1.1705 -1.1689 0.2645 0.2681 0.7041 0.7129 1.0858 1.0909 1.3129 1.3163 2.0856 2.0880 2.6153 2.6247 3.1651 3.1656 3.8830 3.8902 3.9507 3.9509 4.6757 4.6764 4.7353 4.7492 5.5358 5.5389 6.1087 6.1116 6.1490 6.1523 6.4221 6.4308 6.4559 6.4611 6.7031 6.7101 12.9155 12.9173 13.5635 13.5725 13.7283 13.7329 14.4914 14.4973 14.6352 14.6385 k =-0.3492 0.5497-0.0000 ( 13900 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.4929 -9.4926 -8.7153 -8.7144 -6.9819 -6.9802 -6.9527 -6.9488 -6.5996 -6.5948 -6.0147 -6.0133 -1.1576 -1.1560 0.2683 0.2722 0.6737 0.6822 1.0345 1.0399 1.3840 1.3877 2.0424 2.0450 2.6565 2.6658 3.1872 3.1876 3.8351 3.8422 3.9743 3.9744 4.6930 4.6935 4.7280 4.7420 5.5696 5.5725 6.1085 6.1119 6.1158 6.1192 6.4117 6.4197 6.4244 6.4289 6.7234 6.7303 12.9380 12.9393 13.5346 13.5432 13.7186 13.7230 14.4889 14.4929 14.6502 14.6557 k =-0.3408 0.5643-0.0000 ( 13900 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.4590 -9.4586 -8.7732 -8.7723 -6.9546 -6.9529 -6.9376 -6.9335 -6.6212 -6.6164 -6.0094 -6.0081 -1.1450 -1.1433 0.2627 0.2668 0.6550 0.6633 0.9863 0.9918 1.4563 1.4603 1.9970 1.9997 2.6975 2.7069 3.2015 3.2018 3.7896 3.7967 3.9994 3.9996 4.7129 4.7133 4.7192 4.7332 5.6026 5.6053 6.0831 6.0855 6.1068 6.1094 6.3901 6.3951 6.4010 6.4095 6.7466 6.7533 12.9673 12.9681 13.5085 13.5165 13.7082 13.7125 14.4651 14.4681 14.6883 14.6950 k =-0.3325 0.5789-0.0000 ( 13894 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.4233 -9.4229 -8.8307 -8.8299 -6.9279 -6.9262 -6.9221 -6.9178 -6.6434 -6.6386 -6.0046 -6.0034 -1.1330 -1.1312 0.2455 0.2500 0.6500 0.6579 0.9413 0.9470 1.5295 1.5338 1.9494 1.9523 2.7386 2.7479 3.2063 3.2064 3.7485 3.7556 4.0263 4.0264 4.7085 4.7222 4.7357 4.7359 5.6345 5.6370 6.0516 6.0539 6.1017 6.1042 6.3559 6.3608 6.3896 6.3979 6.7721 6.7786 13.0028 13.0031 13.4855 13.4929 13.6974 13.7015 14.4315 14.4342 14.7375 14.7446 k =-0.3325 0.5789-0.0000 ( 13894 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.4233 -9.4229 -8.8307 -8.8299 -6.9279 -6.9262 -6.9221 -6.9178 -6.6434 -6.6386 -6.0046 -6.0034 -1.1330 -1.1312 0.2455 0.2500 0.6500 0.6579 0.9413 0.9470 1.5295 1.5338 1.9494 1.9523 2.7386 2.7479 3.2063 3.2064 3.7485 3.7556 4.0263 4.0264 4.7085 4.7222 4.7357 4.7359 5.6345 5.6370 6.0516 6.0539 6.1017 6.1042 6.3559 6.3608 6.3896 6.3979 6.7721 6.7786 13.0028 13.0031 13.4855 13.4929 13.6974 13.7015 14.4315 14.4342 14.7375 14.7446 k =-0.3325 0.5789 0.0169 ( 13891 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.4223 -9.4219 -8.8299 -8.8290 -6.9291 -6.9274 -6.9244 -6.9201 -6.6433 -6.6385 -6.0050 -6.0037 -1.1308 -1.1290 0.2379 0.2424 0.6607 0.6686 0.9437 0.9493 1.5257 1.5299 1.9472 1.9501 2.7406 2.7499 3.2068 3.2069 3.7486 3.7557 4.0260 4.0261 4.7076 4.7212 4.7355 4.7358 5.6356 5.6380 6.0510 6.0533 6.1027 6.1052 6.3552 6.3600 6.3903 6.3986 6.7724 6.7788 12.9993 12.9996 13.4857 13.4931 13.6919 13.6960 14.4267 14.4293 14.7356 14.7429 k =-0.3325 0.5789 0.0337 ( 13899 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.4193 -9.4190 -8.8273 -8.8265 -6.9330 -6.9311 -6.9311 -6.9270 -6.6428 -6.6382 -6.0061 -6.0049 -1.1242 -1.1225 0.2172 0.2217 0.6907 0.6985 0.9506 0.9563 1.5145 1.5185 1.9407 1.9436 2.7465 2.7556 3.2085 3.2086 3.7490 3.7560 4.0250 4.0251 4.7046 4.7182 4.7350 4.7353 5.6387 5.6410 6.0492 6.0514 6.1056 6.1081 6.3530 6.3578 6.3925 6.4007 6.7731 6.7795 12.9889 12.9891 13.4864 13.4937 13.6759 13.6798 14.4122 14.4145 14.7313 14.7386 k =-0.3325 0.5789 0.0506 ( 13907 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.4144 -9.4140 -8.8230 -8.8222 -6.9428 -6.9389 -6.9384 -6.9371 -6.6420 -6.6375 -6.0080 -6.0068 -1.1132 -1.1116 0.1879 0.1924 0.7353 0.7431 0.9621 0.9678 1.4962 1.5000 1.9300 1.9327 2.7560 2.7648 3.2113 3.2114 3.7497 3.7566 4.0232 4.0233 4.6997 4.7131 4.7345 4.7348 5.6438 5.6460 6.0461 6.0483 6.1104 6.1127 6.3493 6.3541 6.3962 6.4042 6.7743 6.7807 12.9721 12.9722 13.4878 13.4952 13.6500 13.6537 14.3880 14.3900 14.7268 14.7342 k =-0.3325 0.5789 0.0674 ( 13907 PWs) bands (ev): -36.1608 -36.1608 -36.1495 -36.1495 -9.4075 -9.4071 -8.8171 -8.8163 -6.9585 -6.9542 -6.9478 -6.9458 -6.6408 -6.6365 -6.0106 -6.0094 -1.0981 -1.0965 0.1543 0.1588 0.7903 0.7981 0.9782 0.9839 1.4713 1.4749 1.9150 1.9177 2.7684 2.7769 3.2152 3.2154 3.7506 3.7574 4.0207 4.0208 4.6927 4.7059 4.7341 4.7345 5.6508 5.6529 6.0418 6.0440 6.1167 6.1188 6.3441 6.3488 6.4013 6.4091 6.7761 6.7825 12.9495 12.9496 13.4904 13.4977 13.6153 13.6187 14.3548 14.3564 14.7242 14.7316 k =-0.3325 0.5789 0.0843 ( 13914 PWs) bands (ev): -36.1608 -36.1608 -36.1495 -36.1495 -9.3986 -9.3982 -8.8094 -8.8086 -6.9785 -6.9743 -6.9592 -6.9571 -6.6391 -6.6350 -6.0140 -6.0128 -1.0788 -1.0773 0.1192 0.1235 0.8528 0.8606 0.9988 1.0046 1.4407 1.4440 1.8961 1.8987 2.7831 2.7911 3.2202 3.2204 3.7518 3.7585 4.0173 4.0173 4.6836 4.6966 4.7342 4.7348 5.6596 5.6615 6.0362 6.0384 6.1242 6.1260 6.3374 6.3421 6.4078 6.4153 6.7785 6.7848 12.9219 12.9223 13.4942 13.5016 13.5732 13.5763 14.3140 14.3154 14.7242 14.7314 k =-0.3325 0.5789 0.1011 ( 13927 PWs) bands (ev): -36.1607 -36.1607 -36.1496 -36.1496 -9.3877 -9.3874 -8.8001 -8.7993 -7.0026 -6.9985 -6.9731 -6.9709 -6.6368 -6.6329 -6.0181 -6.0169 -1.0557 -1.0543 0.0842 0.0884 0.9207 0.9287 1.0239 1.0296 1.4051 1.4080 1.8734 1.8759 2.7994 2.8069 3.2263 3.2266 3.7531 3.7596 4.0129 4.0129 4.6724 4.6851 4.7353 4.7359 5.6701 5.6718 6.0293 6.0315 6.1325 6.1339 6.3291 6.3338 6.4156 6.4227 6.7816 6.7877 12.8907 12.8913 13.4996 13.5070 13.5250 13.5278 14.2676 14.2689 14.7263 14.7332 k =-0.3325 0.5789 0.1180 ( 13931 PWs) bands (ev): -36.1606 -36.1606 -36.1497 -36.1497 -9.3749 -9.3746 -8.7890 -8.7883 -7.0308 -7.0267 -6.9897 -6.9873 -6.6338 -6.6302 -6.0229 -6.0217 -1.0288 -1.0275 0.0505 0.0545 0.9929 1.0010 1.0532 1.0590 1.3653 1.3679 1.8471 1.8496 2.8165 2.8236 3.2335 3.2338 3.7546 3.7609 4.0074 4.0075 4.6590 4.6712 4.7376 4.7384 5.6822 5.6835 6.0212 6.0233 6.1413 6.1423 6.3194 6.3239 6.4247 6.4313 6.7854 6.7914 12.8570 12.8578 13.4720 13.4744 13.5069 13.5142 14.2176 14.2189 14.7297 14.7361 k =-0.3325 0.5789 0.1348 ( 13927 PWs) bands (ev): -36.1605 -36.1605 -36.1498 -36.1498 -9.3601 -9.3598 -8.7763 -8.7756 -7.0626 -7.0587 -7.0089 -7.0063 -6.6302 -6.6268 -6.0284 -6.0273 -0.9984 -0.9973 0.0186 0.0225 1.0678 1.0762 1.0869 1.0924 1.3223 1.3246 1.8178 1.8201 2.8339 2.8404 3.2418 3.2422 3.7561 3.7623 4.0008 4.0009 4.6432 4.6550 4.7415 4.7424 5.6956 5.6967 6.0117 6.0138 6.1500 6.1506 6.3081 6.3125 6.4349 6.4410 6.7900 6.7958 12.8219 12.8231 13.4159 13.4180 13.5156 13.5229 14.1657 14.1670 14.7331 14.7391 k =-0.3325 0.5789 0.1517 ( 13915 PWs) bands (ev): -36.1604 -36.1604 -36.1499 -36.1499 -9.3434 -9.3431 -8.7620 -8.7613 -7.0980 -7.0942 -7.0306 -7.0279 -6.6258 -6.6227 -6.0346 -6.0335 -0.9647 -0.9638 -0.0108 -0.0072 1.1233 1.1296 1.1446 1.1521 1.2786 1.2806 1.7857 1.7879 2.8509 2.8569 3.2511 3.2516 3.7578 3.7637 3.9932 3.9934 4.6250 4.6363 4.7472 4.7482 5.7102 5.7112 6.0010 6.0030 6.1585 6.1586 6.2952 6.2996 6.4461 6.4515 6.7954 6.8010 12.7868 12.7883 13.3579 13.3597 13.5257 13.5330 14.1131 14.1145 14.7355 14.7410 k =-0.3325 0.5789 0.1685 ( 13906 PWs) bands (ev): -36.1603 -36.1603 -36.1500 -36.1500 -9.3247 -9.3245 -8.7460 -8.7453 -7.1367 -7.1330 -7.0548 -7.0519 -6.6206 -6.6178 -6.0416 -6.0405 -0.9280 -0.9273 -0.0377 -0.0343 1.1638 1.1700 1.1982 1.2026 1.2569 1.2620 1.7517 1.7537 2.8672 2.8727 3.2615 3.2621 3.7594 3.7651 3.9846 3.9848 4.6044 4.6151 4.7547 4.7558 5.7260 5.7267 5.9890 5.9909 6.1660 6.1663 6.2808 6.2850 6.4579 6.4627 6.8016 6.8070 12.7527 12.7544 13.2991 13.3006 13.5370 13.5444 14.0608 14.0622 14.7360 14.7409 k =-0.3325 0.5789 0.1854 ( 13910 PWs) bands (ev): -36.1601 -36.1601 -36.1501 -36.1501 -9.3042 -9.3040 -8.7284 -8.7278 -7.1785 -7.1749 -7.0813 -7.0784 -6.6146 -6.6121 -6.0492 -6.0481 -0.8886 -0.8880 -0.0619 -0.0586 1.1653 1.1673 1.2069 1.2127 1.3216 1.3292 1.7167 1.7186 2.8824 2.8873 3.2729 3.2736 3.7609 3.7664 3.9751 3.9755 4.5811 4.5912 4.7639 4.7651 5.7427 5.7432 5.9759 5.9777 6.1727 6.1734 6.2648 6.2688 6.4701 6.4742 6.8087 6.8138 12.7205 12.7225 13.2407 13.2420 13.5493 13.5567 14.0095 14.0110 14.7336 14.7379 k =-0.3325 0.5789 0.2023 ( 13910 PWs) bands (ev): -36.1600 -36.1600 -36.1503 -36.1503 -9.2817 -9.2815 -8.7092 -8.7086 -7.2230 -7.2196 -7.1101 -7.1072 -6.6079 -6.6056 -6.0574 -6.0564 -0.8466 -0.8461 -0.0832 -0.0802 1.1153 1.1166 1.2503 1.2561 1.4040 1.4119 1.6826 1.6844 2.8962 2.9006 3.2853 3.2861 3.7622 3.7675 3.9652 3.9656 4.5551 4.5645 4.7746 4.7758 5.7602 5.7606 5.9617 5.9635 6.1785 6.1796 6.2472 6.2511 6.4825 6.4859 6.8166 6.8214 12.6911 12.6933 13.1838 13.1847 13.5621 13.5694 13.9598 13.9613 14.7272 14.7308 k =-0.3325 0.5789 0.2191 ( 13908 PWs) bands (ev): -36.1598 -36.1598 -36.1504 -36.1504 -9.2574 -9.2572 -8.6884 -8.6878 -7.2702 -7.2668 -7.1411 -7.1381 -6.6004 -6.5983 -6.0664 -6.0653 -0.8023 -0.8020 -0.1016 -0.0988 1.0624 1.0634 1.2912 1.2968 1.4892 1.4972 1.6526 1.6545 2.9085 2.9124 3.2987 3.2995 3.7633 3.7682 3.9550 3.9555 4.5263 4.5350 4.7863 4.7876 5.7784 5.7787 5.9466 5.9483 6.1836 6.1850 6.2281 6.2318 6.4947 6.4974 6.8251 6.8296 12.6651 12.6676 13.1291 13.1298 13.5749 13.5823 13.9120 13.9135 14.7159 14.7188 k =-0.3325 0.5789 0.2360 ( 13898 PWs) bands (ev): -36.1597 -36.1597 -36.1506 -36.1506 -9.2312 -9.2311 -8.6660 -8.6655 -7.3196 -7.3164 -7.1741 -7.1711 -6.5921 -6.5903 -6.0759 -6.0749 -0.7559 -0.7558 -0.1171 -0.1145 1.0084 1.0091 1.3236 1.3286 1.5755 1.5836 1.6331 1.6353 2.9191 2.9226 3.3129 3.3139 3.7640 3.7686 3.9451 3.9456 4.4945 4.5025 4.7985 4.7998 5.7972 5.7974 5.9307 5.9323 6.1879 6.1896 6.2076 6.2111 6.5065 6.5085 6.8342 6.8382 12.6431 12.6458 13.0775 13.0779 13.5872 13.5946 13.8664 13.8681 14.6987 14.7009 k =-0.3325 0.5789 0.2528 ( 13906 PWs) bands (ev): -36.1595 -36.1595 -36.1508 -36.1508 -9.2031 -9.2030 -8.6421 -8.6417 -7.3711 -7.3680 -7.2090 -7.2059 -6.5832 -6.5815 -6.0860 -6.0851 -0.7076 -0.7076 -0.1296 -0.1272 0.9537 0.9543 1.3382 1.3424 1.6329 1.6360 1.6625 1.6704 2.9281 2.9312 3.3280 3.3291 3.7641 3.7684 3.9359 3.9365 4.4599 4.4670 4.8106 4.8118 5.8164 5.8165 5.9142 5.9157 6.1853 6.1889 6.1919 6.1941 6.5176 6.5190 6.8435 6.8472 12.6256 12.6285 13.0297 13.0300 13.5984 13.6058 13.8235 13.8252 14.6747 14.6761 k =-0.3325 0.5789 0.2697 ( 13905 PWs) bands (ev): -36.1593 -36.1593 -36.1509 -36.1509 -9.1733 -9.1732 -8.6167 -8.6163 -7.4244 -7.4215 -7.2456 -7.2426 -6.5735 -6.5720 -6.0967 -6.0958 -0.6578 -0.6576 -0.1393 -0.1370 0.8989 0.8992 1.3291 1.3323 1.6586 1.6625 1.7490 1.7570 2.9354 2.9380 3.3439 3.3452 3.7636 3.7675 3.9279 3.9286 4.4221 4.4284 4.8218 4.8229 5.8359 5.8361 5.8974 5.8987 6.1623 6.1655 6.1953 6.1976 6.5281 6.5288 6.8529 6.8562 12.6128 12.6160 12.9865 12.9865 13.6079 13.6153 13.7832 13.7850 14.6434 14.6440 k =-0.3325 0.5789 0.2865 ( 13890 PWs) bands (ev): -36.1591 -36.1591 -36.1511 -36.1511 -9.1416 -9.1416 -8.5898 -8.5895 -7.4793 -7.4765 -7.2837 -7.2808 -6.5632 -6.5618 -6.1080 -6.1071 -0.6065 -0.6061 -0.1460 -0.1440 0.8441 0.8443 1.3000 1.3023 1.7063 1.7107 1.8350 1.8430 2.9410 2.9432 3.3606 3.3620 3.7622 3.7658 3.9217 3.9225 4.3813 4.3867 4.8313 4.8323 5.8554 5.8558 5.8806 5.8816 6.1380 6.1410 6.1987 6.2011 6.5378 6.5380 6.8620 6.8650 12.6052 12.6085 12.9480 12.9482 13.6147 13.6221 13.7456 13.7475 14.6044 14.6045 k =-0.3325 0.5789 0.3034 ( 13896 PWs) bands (ev): -36.1589 -36.1589 -36.1513 -36.1513 -9.1081 -9.1081 -8.5615 -8.5612 -7.5355 -7.5329 -7.3233 -7.3204 -6.5523 -6.5510 -6.1197 -6.1189 -0.5538 -0.5533 -0.1498 -0.1480 0.7896 0.7896 1.2582 1.2600 1.7686 1.7733 1.9198 1.9277 2.9449 2.9467 3.3779 3.3794 3.7599 3.7631 3.9180 3.9188 4.3374 4.3418 4.8382 4.8391 5.8620 5.8643 5.8759 5.8768 6.1128 6.1155 6.2021 6.2046 6.5466 6.5469 6.8705 6.8731 12.6027 12.6062 12.9150 12.9154 13.6183 13.6256 13.7108 13.7128 14.5580 14.5586 k =-0.3325 0.5789 0.3202 ( 13893 PWs) bands (ev): -36.1587 -36.1587 -36.1515 -36.1515 -9.0730 -9.0729 -8.5317 -8.5316 -7.5929 -7.5904 -7.3642 -7.3613 -6.5408 -6.5397 -6.1320 -6.1312 -0.4998 -0.4992 -0.1508 -0.1492 0.7355 0.7355 1.2090 1.2103 1.8402 1.8451 2.0030 2.0107 2.9471 2.9485 3.3959 3.3975 3.7564 3.7590 3.9172 3.9181 4.2905 4.2938 4.8419 4.8426 5.8459 5.8476 5.8957 5.8960 6.0868 6.0892 6.2057 6.2083 6.5548 6.5555 6.8781 6.8804 12.6055 12.6092 12.8879 12.8884 13.6177 13.6249 13.6787 13.6808 14.5058 14.5069 k =-0.3325 0.5789 0.3371 ( 13894 PWs) bands (ev): -36.1585 -36.1585 -36.1518 -36.1518 -9.0361 -9.0360 -8.5006 -8.5005 -7.6513 -7.6489 -7.4062 -7.4034 -6.5287 -6.5277 -6.1448 -6.1440 -0.4448 -0.4440 -0.1491 -0.1476 0.6820 0.6822 1.1551 1.1561 1.9184 1.9233 2.0838 2.0914 2.9476 2.9486 3.4143 3.4161 3.7513 3.7534 3.9202 3.9211 4.2406 4.2428 4.8415 4.8420 5.8299 5.8315 5.9156 5.9157 6.0603 6.0625 6.2094 6.2120 6.5629 6.5640 6.8844 6.8864 12.6135 12.6174 12.8669 12.8676 13.6122 13.6194 13.6488 13.6510 14.4495 14.4509 k =-0.3325 0.5789 0.3540 ( 13895 PWs) bands (ev): -36.1582 -36.1582 -36.1520 -36.1520 -8.9976 -8.9974 -8.4681 -8.4681 -7.7104 -7.7081 -7.4491 -7.4465 -6.5161 -6.5152 -6.1580 -6.1572 -0.3887 -0.3879 -0.1446 -0.1433 0.6293 0.6296 1.0981 1.0989 2.0013 2.0062 2.1619 2.1692 2.9463 2.9469 3.4331 3.4351 3.7445 3.7459 3.9273 3.9282 4.1881 4.1891 4.8365 4.8368 5.8147 5.8162 5.9354 5.9354 6.0335 6.0354 6.2132 6.2158 6.5712 6.5725 6.8891 6.8908 12.6268 12.6308 12.8523 12.8531 13.6013 13.6083 13.6209 13.6231 14.3910 14.3925 k =-0.3325 0.5789 0.3708 ( 13893 PWs) bands (ev): -36.1580 -36.1580 -36.1522 -36.1522 -8.9573 -8.9571 -8.4344 -8.4343 -7.7700 -7.7679 -7.4929 -7.4904 -6.5030 -6.5023 -6.1716 -6.1709 -0.3317 -0.3308 -0.1374 -0.1363 0.5776 0.5780 1.0390 1.0396 2.0881 2.0928 2.2367 2.2438 2.9433 2.9436 3.4522 3.4543 3.7353 3.7361 3.9392 3.9400 4.1330 4.1334 4.8263 4.8264 5.8005 5.8020 5.9549 5.9551 6.0068 6.0084 6.2169 6.2194 6.5802 6.5817 6.8920 6.8935 12.6451 12.6492 12.8442 12.8451 13.5844 13.5912 13.5942 13.5966 14.3324 14.3341 k =-0.3325 0.5789 0.3877 ( 13891 PWs) bands (ev): -36.1578 -36.1578 -36.1525 -36.1525 -8.9155 -8.9153 -8.3995 -8.3993 -7.8300 -7.8280 -7.5374 -7.5350 -6.4895 -6.4889 -6.1855 -6.1849 -0.2738 -0.2728 -0.1276 -0.1267 0.5271 0.5275 0.9783 0.9787 2.1779 2.1825 2.3076 2.3145 2.9384 2.9385 3.4712 3.4735 3.7231 3.7233 3.9563 3.9569 4.0754 4.0772 4.8105 4.8107 5.7878 5.7893 5.9742 5.9745 5.9804 5.9817 6.2199 6.2224 6.5902 6.5919 6.8928 6.8942 12.6683 12.6725 12.8427 12.8437 13.5615 13.5676 13.5678 13.5708 14.2761 14.2777 k =-0.3325 0.5789 0.4045 ( 13881 PWs) bands (ev): -36.1575 -36.1575 -36.1527 -36.1527 -8.8721 -8.8718 -8.3633 -8.3631 -7.8902 -7.8883 -7.5825 -7.5802 -6.4756 -6.4750 -6.1999 -6.1993 -0.2151 -0.2141 -0.1153 -0.1145 0.4777 0.4781 0.9165 0.9167 2.2702 2.2746 2.3744 2.3809 2.9314 2.9319 3.4899 3.4924 3.7063 3.7075 3.9788 3.9792 4.0174 4.0207 4.7890 4.7893 5.7767 5.7782 5.9541 5.9551 5.9938 5.9942 6.2220 6.2244 6.6018 6.6035 6.8914 6.8926 12.6962 12.7005 12.8476 12.8488 13.5331 13.5392 13.5401 13.5428 14.2242 14.2257 k =-0.3325 0.5789 0.4214 ( 13885 PWs) bands (ev): -36.1572 -36.1572 -36.1530 -36.1530 -8.8272 -8.8268 -8.3260 -8.3257 -7.9505 -7.9487 -7.6280 -7.6258 -6.4613 -6.4609 -6.2145 -6.2140 -0.1557 -0.1547 -0.1004 -0.0997 0.4296 0.4300 0.8537 0.8538 2.3645 2.3687 2.4368 2.4429 2.9226 2.9234 3.5074 3.5099 3.6847 3.6868 3.9604 3.9655 4.0070 4.0075 4.7617 4.7623 5.7675 5.7689 5.9288 5.9296 6.0130 6.0135 6.2227 6.2249 6.6151 6.6169 6.8876 6.8886 12.7284 12.7328 12.8591 12.8602 13.4991 13.5052 13.5100 13.5124 14.1792 14.1804 k =-0.3325 0.5789 0.4382 ( 13891 PWs) bands (ev): -36.1570 -36.1570 -36.1532 -36.1532 -8.7808 -8.7804 -8.2877 -8.2872 -8.0107 -8.0090 -7.6738 -7.6718 -6.4467 -6.4463 -6.2294 -6.2289 -0.0958 -0.0946 -0.0830 -0.0823 0.3828 0.3833 0.7903 0.7904 2.4603 2.4641 2.4945 2.5003 2.9118 2.9129 3.5217 3.5240 3.6582 3.6609 3.9075 3.9141 4.0406 4.0408 4.7290 4.7298 5.7604 5.7618 5.9044 5.9049 6.0320 6.0326 6.2215 6.2236 6.6305 6.6321 6.8814 6.8823 12.7648 12.7693 12.8767 12.8780 13.4599 13.4659 13.4765 13.4788 14.1431 14.1440 k =-0.3325 0.5789 0.4551 ( 13900 PWs) bands (ev): -36.1567 -36.1567 -36.1535 -36.1535 -8.7330 -8.7324 -8.2482 -8.2477 -8.0707 -8.0691 -7.7198 -7.7179 -6.4318 -6.4315 -6.2446 -6.2441 -0.0633 -0.0631 -0.0347 -0.0338 0.3376 0.3381 0.7263 0.7265 2.5474 2.5529 2.5572 2.5606 2.8991 2.9005 3.5263 3.5275 3.6320 3.6338 3.8609 3.8685 4.0795 4.0795 4.6911 4.6921 5.7555 5.7568 5.8812 5.8815 6.0510 6.0516 6.2182 6.2201 6.6478 6.6493 6.8726 6.8735 12.8049 12.8095 12.9004 12.9017 13.4162 13.4220 13.4387 13.4408 14.1173 14.1178 k =-0.3325 0.5789 0.4719 ( 13893 PWs) bands (ev): -36.1565 -36.1565 -36.1537 -36.1537 -8.6837 -8.6831 -8.2078 -8.2072 -8.1303 -8.1288 -7.7659 -7.7641 -6.4166 -6.4164 -6.2599 -6.2595 -0.0413 -0.0411 0.0266 0.0276 0.2940 0.2945 0.6620 0.6624 2.5958 2.6009 2.6545 2.6577 2.8844 2.8860 3.5047 3.5059 3.6198 3.6207 3.8219 3.8299 4.1231 4.1233 4.6485 4.6496 5.7529 5.7542 5.8595 5.8595 6.0697 6.0704 6.2128 6.2145 6.6669 6.6683 6.8615 6.8622 12.8485 12.8531 12.9298 12.9311 13.3688 13.3744 13.3963 13.3983 14.1028 14.1029 k =-0.3325 0.5789 0.4888 ( 13885 PWs) bands (ev): -36.1562 -36.1562 -36.1540 -36.1540 -8.6332 -8.6325 -8.1895 -8.1881 -8.1665 -8.1657 -7.8119 -7.8102 -6.4013 -6.4011 -6.2755 -6.2751 -0.0169 -0.0169 0.0884 0.0895 0.2520 0.2524 0.5977 0.5981 2.6398 2.6444 2.7520 2.7548 2.8676 2.8695 3.4529 3.4550 3.6251 3.6279 3.7898 3.7976 4.1708 4.1713 4.6018 4.6029 5.7528 5.7541 5.8392 5.8393 6.0881 6.0889 6.2052 6.2067 6.6874 6.6887 6.8480 6.8487 12.8950 12.8997 12.9644 12.9657 13.3184 13.3238 13.3497 13.3515 14.0991 14.0996 k =-0.3325 0.5789 0.5056 ( 13877 PWs) bands (ev): -36.1559 -36.1559 -36.1543 -36.1543 -8.5814 -8.5806 -8.2480 -8.2467 -8.1243 -8.1234 -7.8577 -7.8562 -6.3857 -6.3856 -6.2911 -6.2908 0.0096 0.0096 0.1508 0.1518 0.2117 0.2121 0.5332 0.5338 2.6796 2.6838 2.8466 2.8498 2.8512 2.8524 3.3844 3.3862 3.6395 3.6432 3.7627 3.7700 4.2220 4.2227 4.5515 4.5527 5.7552 5.7564 5.8206 5.8210 6.1061 6.1070 6.1954 6.1969 6.7089 6.7101 6.8323 6.8330 12.9442 12.9489 13.0038 13.0051 13.2659 13.2711 13.3000 13.3016 14.1060 14.1069 k =-0.3325 0.5789 0.5225 ( 13882 PWs) bands (ev): -36.1556 -36.1556 -36.1546 -36.1546 -8.5284 -8.5276 -8.3058 -8.3047 -8.0813 -8.0804 -7.9034 -7.9019 -6.3700 -6.3700 -6.3069 -6.3066 0.0382 0.0383 0.1730 0.1735 0.2138 0.2147 0.4689 0.4696 2.7156 2.7194 2.8273 2.8298 2.9456 2.9472 3.3062 3.3074 3.6571 3.6615 3.7388 3.7455 4.2758 4.2766 4.4985 4.4997 5.7602 5.7612 5.8041 5.8046 6.1236 6.1245 6.1839 6.1852 6.7310 6.7321 6.8146 6.8154 12.9955 13.0003 13.0474 13.0488 13.2119 13.2171 13.2483 13.2498 14.1224 14.1238 k =-0.3325 0.5789 0.5394 ( 13888 PWs) bands (ev): -36.1554 -36.1554 -36.1548 -36.1548 -8.4742 -8.4733 -8.3629 -8.3618 -8.0377 -8.0366 -7.9486 -7.9473 -6.3543 -6.3542 -6.3227 -6.3225 0.0689 0.0691 0.1364 0.1368 0.2771 0.2780 0.4047 0.4054 2.7480 2.7515 2.8036 2.8064 3.0403 3.0413 3.2219 3.2223 3.6762 3.6811 3.7169 3.7230 4.3313 4.3322 4.4435 4.4447 5.7676 5.7685 5.7896 5.7903 6.1403 6.1413 6.1707 6.1719 6.7531 6.7540 6.7953 6.7961 13.0484 13.0533 13.0945 13.0959 13.1574 13.1623 13.1961 13.1975 14.1474 14.1491 k =-0.3325 0.5789 0.5562 ( 13906 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.4190 -8.4190 -8.4181 -8.4181 -7.9934 -7.9934 -7.9922 -7.9922 -6.3385 -6.3385 -6.3384 -6.3384 0.1017 0.1017 0.1020 0.1020 0.3407 0.3407 0.3415 0.3415 2.7772 2.7772 2.7804 2.7804 3.1329 3.1329 3.1332 3.1332 3.6961 3.6961 3.7016 3.7016 4.3875 4.3875 4.3886 4.3886 5.7774 5.7774 5.7782 5.7782 6.1561 6.1561 6.1572 6.1572 6.7746 6.7746 6.7755 6.7755 13.1024 13.1024 13.1075 13.1075 13.1446 13.1446 13.1458 13.1458 14.1797 14.1797 k =-0.3325 0.5789 0.5562 ( 13906 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.4190 -8.4190 -8.4181 -8.4181 -7.9934 -7.9934 -7.9922 -7.9922 -6.3385 -6.3385 -6.3384 -6.3384 0.1017 0.1017 0.1020 0.1020 0.3407 0.3407 0.3415 0.3415 2.7772 2.7772 2.7804 2.7804 3.1329 3.1329 3.1332 3.1332 3.6961 3.6961 3.7016 3.7016 4.3875 4.3875 4.3886 4.3886 5.7774 5.7774 5.7782 5.7782 6.1561 6.1561 6.1572 6.1572 6.7746 6.7746 6.7755 6.7755 13.1024 13.1024 13.1075 13.1075 13.1446 13.1446 13.1458 13.1458 14.1797 14.1797 k =-0.3408 0.5643 0.5562 ( 13898 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.4496 -8.4496 -8.4486 -8.4486 -7.9505 -7.9505 -7.9493 -7.9493 -6.3506 -6.3506 -6.3505 -6.3505 0.0392 0.0392 0.0394 0.0394 0.4003 0.4003 0.4012 0.4012 2.7801 2.7801 2.7831 2.7831 3.1360 3.1360 3.1365 3.1365 3.6878 3.6878 3.6930 3.6930 4.4028 4.4028 4.4039 4.4039 5.8020 5.8020 5.8029 5.8029 6.1279 6.1279 6.1289 6.1289 6.7653 6.7653 6.7661 6.7661 13.0976 13.0976 13.1025 13.1025 13.1669 13.1669 13.1683 13.1683 14.1640 14.1640 k =-0.3492 0.5497 0.5562 ( 13882 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.4788 -8.4788 -8.4779 -8.4779 -7.9080 -7.9080 -7.9068 -7.9068 -6.3628 -6.3628 -6.3627 -6.3627 -0.0223 -0.0223 -0.0222 -0.0222 0.4585 0.4585 0.4594 0.4594 2.7831 2.7831 2.7859 2.7859 3.1382 3.1382 3.1390 3.1390 3.6781 3.6781 3.6829 3.6829 4.4199 4.4199 4.4211 4.4211 5.8275 5.8275 5.8283 5.8283 6.0973 6.0973 6.0983 6.0983 6.7570 6.7570 6.7578 6.7578 13.0966 13.0966 13.1012 13.1012 13.1878 13.1878 13.1892 13.1892 14.1549 14.1549 k =-0.3576 0.5351 0.5562 ( 13898 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.5066 -8.5066 -8.5057 -8.5057 -7.8661 -7.8661 -7.8650 -7.8650 -6.3750 -6.3750 -6.3748 -6.3748 -0.0824 -0.0824 -0.0823 -0.0823 0.5151 0.5151 0.5161 0.5161 2.7864 2.7864 2.7890 2.7890 3.1399 3.1399 3.1409 3.1409 3.6670 3.6670 3.6715 3.6715 4.4386 4.4386 4.4397 4.4397 5.8534 5.8534 5.8542 5.8542 6.0648 6.0648 6.0656 6.0656 6.7496 6.7496 6.7503 6.7503 13.0996 13.0996 13.1039 13.1039 13.2064 13.2064 13.2079 13.2079 14.1528 14.1528 k =-0.3660 0.5205 0.5562 ( 13890 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.5330 -8.5330 -8.5322 -8.5322 -7.8249 -7.8249 -7.8238 -7.8238 -6.3872 -6.3872 -6.3870 -6.3870 -0.1409 -0.1409 -0.1409 -0.1409 0.5700 0.5700 0.5710 0.5710 2.7898 2.7898 2.7923 2.7923 3.1415 3.1415 3.1426 3.1426 3.6545 3.6545 3.6586 3.6586 4.4585 4.4585 4.4596 4.4596 5.8794 5.8794 5.8802 5.8802 6.0307 6.0307 6.0315 6.0315 6.7428 6.7428 6.7435 6.7435 13.1068 13.1068 13.1109 13.1109 13.2220 13.2220 13.2235 13.2235 14.1582 14.1582 k =-0.3744 0.5059 0.5562 ( 13906 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.5580 -8.5580 -8.5572 -8.5572 -7.7847 -7.7847 -7.7836 -7.7836 -6.3993 -6.3993 -6.3992 -6.3992 -0.1975 -0.1975 -0.1975 -0.1975 0.6229 0.6229 0.6239 0.6239 2.7935 2.7935 2.7958 2.7958 3.1431 3.1431 3.1445 3.1445 3.6405 3.6405 3.6442 3.6442 4.4795 4.4795 4.4806 4.4806 5.9051 5.9051 5.9060 5.9060 5.9957 5.9957 5.9964 5.9964 6.7366 6.7366 6.7372 6.7372 13.1185 13.1185 13.1223 13.1223 13.2341 13.2341 13.2356 13.2356 14.1708 14.1708 k =-0.3827 0.4914 0.5562 ( 13922 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.5815 -8.5815 -8.5808 -8.5808 -7.7455 -7.7455 -7.7444 -7.7444 -6.4114 -6.4114 -6.4112 -6.4112 -0.2520 -0.2520 -0.2519 -0.2519 0.6736 0.6736 0.6747 0.6747 2.7974 2.7974 2.7995 2.7995 3.1452 3.1452 3.1467 3.1467 3.6251 3.6251 3.6285 3.6285 4.5012 4.5012 4.5023 4.5023 5.9302 5.9302 5.9311 5.9311 5.9603 5.9603 5.9608 5.9608 6.7307 6.7307 6.7313 6.7313 13.1345 13.1345 13.1381 13.1381 13.2426 13.2426 13.2441 13.2441 14.1906 14.1906 k =-0.3911 0.4768 0.5562 ( 13924 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.6035 -8.6035 -8.6029 -8.6029 -7.7075 -7.7075 -7.7065 -7.7065 -6.4233 -6.4233 -6.4231 -6.4231 -0.3040 -0.3040 -0.3040 -0.3040 0.7221 0.7221 0.7232 0.7232 2.8014 2.8014 2.8033 2.8033 3.1478 3.1478 3.1494 3.1494 3.6085 3.6085 3.6114 3.6114 4.5236 4.5236 4.5246 4.5246 5.9240 5.9240 5.9248 5.9248 5.9550 5.9550 5.9556 5.9556 6.7252 6.7252 6.7257 6.7257 13.1549 13.1549 13.1582 13.1582 13.2476 13.2476 13.2490 13.2490 14.2167 14.2167 k =-0.3995 0.4622 0.5562 ( 13924 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.6240 -8.6240 -8.6234 -8.6234 -7.6710 -7.6710 -7.6701 -7.6701 -6.4350 -6.4350 -6.4348 -6.4348 -0.3534 -0.3534 -0.3533 -0.3533 0.7680 0.7680 0.7691 0.7691 2.8055 2.8055 2.8072 2.8072 3.1511 3.1511 3.1529 3.1529 3.5906 3.5906 3.5932 3.5932 4.5462 4.5462 4.5472 4.5472 5.8886 5.8886 5.8892 5.8892 5.9781 5.9781 5.9788 5.9788 6.7199 6.7199 6.7204 6.7204 13.1793 13.1793 13.1824 13.1824 13.2494 13.2494 13.2508 13.2508 14.2484 14.2484 k =-0.4079 0.4476 0.5562 ( 13924 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.6429 -8.6429 -8.6423 -8.6423 -7.6362 -7.6362 -7.6353 -7.6353 -6.4465 -6.4465 -6.4463 -6.4463 -0.3998 -0.3998 -0.3997 -0.3997 0.8112 0.8112 0.8123 0.8123 2.8096 2.8096 2.8112 2.8112 3.1554 3.1554 3.1573 3.1573 3.5718 3.5718 3.5741 3.5741 4.5688 4.5688 4.5698 4.5698 5.8537 5.8537 5.8543 5.8543 6.0000 6.0000 6.0007 6.0007 6.7150 6.7150 6.7153 6.7153 13.2074 13.2074 13.2104 13.2104 13.2487 13.2487 13.2498 13.2498 14.2845 14.2845 k =-0.4162 0.4330 0.5562 ( 13904 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.6603 -8.6603 -8.6597 -8.6597 -7.6032 -7.6032 -7.6024 -7.6024 -6.4575 -6.4575 -6.4574 -6.4574 -0.4431 -0.4431 -0.4430 -0.4430 0.8515 0.8515 0.8525 0.8525 2.8137 2.8137 2.8151 2.8151 3.1607 3.1607 3.1626 3.1626 3.5522 3.5522 3.5541 3.5541 4.5913 4.5913 4.5921 4.5921 5.8198 5.8198 5.8203 5.8203 6.0204 6.0204 6.0211 6.0211 6.7102 6.7102 6.7105 6.7105 13.2375 13.2375 13.2414 13.2414 13.2470 13.2470 13.2471 13.2471 14.3237 14.3237 k =-0.4246 0.4184 0.5562 ( 13900 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.6760 -8.6760 -8.6755 -8.6755 -7.5724 -7.5724 -7.5716 -7.5716 -6.4682 -6.4682 -6.4680 -6.4680 -0.4830 -0.4830 -0.4828 -0.4828 0.8887 0.8887 0.8897 0.8897 2.8176 2.8176 2.8189 2.8189 3.1671 3.1671 3.1690 3.1690 3.5319 3.5319 3.5335 3.5335 4.6131 4.6131 4.6139 4.6139 5.7873 5.7873 5.7877 5.7877 6.0392 6.0392 6.0398 6.0398 6.7058 6.7058 6.7061 6.7061 13.2405 13.2405 13.2422 13.2422 13.2737 13.2737 13.2755 13.2755 14.3648 14.3648 k =-0.4330 0.4039 0.5562 ( 13898 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.6902 -8.6902 -8.6897 -8.6897 -7.5438 -7.5438 -7.5431 -7.5431 -6.4782 -6.4782 -6.4781 -6.4781 -0.5192 -0.5192 -0.5191 -0.5191 0.9226 0.9226 0.9235 0.9235 2.8214 2.8214 2.8226 2.8226 3.1745 3.1745 3.1765 3.1765 3.5113 3.5113 3.5126 3.5126 4.6341 4.6341 4.6349 4.6349 5.7566 5.7566 5.7569 5.7569 6.0561 6.0561 6.0567 6.0567 6.7017 6.7017 6.7019 6.7019 13.2353 13.2353 13.2367 13.2367 13.3094 13.3094 13.3112 13.3112 14.4064 14.4064 k =-0.4414 0.3893 0.5562 ( 13890 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.7027 -8.7027 -8.7023 -8.7023 -7.5178 -7.5178 -7.5172 -7.5172 -6.4876 -6.4876 -6.4875 -6.4875 -0.5517 -0.5517 -0.5516 -0.5516 0.9529 0.9529 0.9538 0.9538 2.8250 2.8250 2.8260 2.8260 3.1830 3.1830 3.1849 3.1849 3.4907 3.4907 3.4916 3.4916 4.6540 4.6540 4.6546 4.6546 5.7281 5.7281 5.7284 5.7284 6.0713 6.0713 6.0718 6.0718 6.6979 6.6979 6.6981 6.6981 13.2296 13.2296 13.2307 13.2307 13.3460 13.3460 13.3476 13.3476 14.4473 14.4473 k =-0.4497 0.3747 0.5562 ( 13902 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.7135 -8.7135 -8.7132 -8.7132 -7.4947 -7.4947 -7.4941 -7.4941 -6.4961 -6.4961 -6.4960 -6.4960 -0.5803 -0.5803 -0.5801 -0.5801 0.9796 0.9796 0.9804 0.9804 2.8282 2.8282 2.8291 2.8291 3.1925 3.1925 3.1943 3.1943 3.4703 3.4703 3.4709 3.4709 4.6723 4.6723 4.6728 4.6728 5.7021 5.7021 5.7024 5.7024 6.0844 6.0844 6.0849 6.0849 6.6945 6.6945 6.6947 6.6947 13.2238 13.2238 13.2248 13.2248 13.3822 13.3822 13.3836 13.3836 14.4861 14.4862 k =-0.4581 0.3601 0.5562 ( 13886 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.7227 -8.7227 -8.7225 -8.7225 -7.4746 -7.4746 -7.4741 -7.4741 -6.5037 -6.5037 -6.5036 -6.5036 -0.6047 -0.6047 -0.6045 -0.6045 1.0025 1.0025 1.0032 1.0032 2.8311 2.8311 2.8318 2.8318 3.2026 3.2026 3.2043 3.2043 3.4505 3.4505 3.4510 3.4510 4.6886 4.6886 4.6891 4.6891 5.6792 5.6792 5.6794 5.6794 6.0956 6.0956 6.0960 6.0960 6.6916 6.6916 6.6917 6.6917 13.2183 13.2183 13.2191 13.2191 13.4167 13.4167 13.4179 13.4179 14.5217 14.5217 k =-0.4665 0.3455 0.5562 ( 13886 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.7303 -8.7303 -8.7301 -8.7301 -7.4577 -7.4577 -7.4573 -7.4573 -6.5101 -6.5101 -6.5100 -6.5100 -0.6248 -0.6248 -0.6247 -0.6247 1.0215 1.0215 1.0220 1.0220 2.8336 2.8336 2.8341 2.8341 3.2130 3.2130 3.2145 3.2145 3.4321 3.4321 3.4323 3.4323 4.7027 4.7027 4.7031 4.7031 5.6597 5.6597 5.6599 5.6599 6.1048 6.1048 6.1051 6.1051 6.6891 6.6891 6.6892 6.6892 13.2135 13.2135 13.2142 13.2142 13.4480 13.4480 13.4489 13.4489 14.5527 14.5527 k =-0.4749 0.3309 0.5562 ( 13894 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.7361 -8.7361 -8.7360 -8.7360 -7.4444 -7.4444 -7.4441 -7.4441 -6.5153 -6.5153 -6.5152 -6.5152 -0.6406 -0.6406 -0.6405 -0.6405 1.0364 1.0364 1.0368 1.0368 2.8356 2.8356 2.8360 2.8360 3.2231 3.2231 3.2244 3.2244 3.4156 3.4156 3.4157 3.4157 4.7142 4.7142 4.7145 4.7145 5.6441 5.6441 5.6442 5.6442 6.1120 6.1120 6.1122 6.1122 6.6871 6.6871 6.6872 6.6872 13.2096 13.2096 13.2100 13.2100 13.4745 13.4745 13.4752 13.4752 14.5782 14.5782 k =-0.4832 0.3163 0.5562 ( 13890 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.7403 -8.7403 -8.7402 -8.7402 -7.4347 -7.4347 -7.4345 -7.4345 -6.5191 -6.5191 -6.5190 -6.5190 -0.6519 -0.6519 -0.6519 -0.6519 1.0471 1.0471 1.0474 1.0474 2.8370 2.8370 2.8373 2.8373 3.2319 3.2319 3.2329 3.2329 3.4022 3.4022 3.4022 3.4022 4.7226 4.7226 4.7228 4.7228 5.6326 5.6326 5.6327 5.6327 6.1171 6.1171 6.1173 6.1173 6.6857 6.6857 6.6858 6.6858 13.2066 13.2066 13.2070 13.2070 13.4947 13.4947 13.4952 13.4952 14.5972 14.5972 k =-0.4916 0.3018 0.5562 ( 13900 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.7428 -8.7428 -8.7428 -8.7428 -7.4288 -7.4288 -7.4287 -7.4287 -6.5214 -6.5214 -6.5213 -6.5213 -0.6587 -0.6587 -0.6587 -0.6587 1.0536 1.0536 1.0537 1.0537 2.8379 2.8379 2.8381 2.8381 3.2382 3.2382 3.2387 3.2387 3.3932 3.3932 3.3933 3.3933 4.7278 4.7278 4.7279 4.7279 5.6256 5.6256 5.6257 5.6257 6.1202 6.1202 6.1203 6.1203 6.6849 6.6849 6.6849 6.6849 13.2049 13.2049 13.2050 13.2050 13.5075 13.5075 13.5077 13.5077 14.6090 14.6090 k =-0.5000 0.2872 0.5562 ( 13900 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.7437 -8.7437 -8.7437 -8.7437 -7.4268 -7.4268 -7.4268 -7.4268 -6.5221 -6.5221 -6.5221 -6.5221 -0.6610 -0.6610 -0.6610 -0.6610 1.0558 1.0558 1.0558 1.0558 2.8383 2.8383 2.8383 2.8383 3.2407 3.2407 3.2407 3.2407 3.3900 3.3900 3.3900 3.3900 4.7296 4.7296 4.7296 4.7296 5.6233 5.6233 5.6233 5.6233 6.1212 6.1212 6.1212 6.1212 6.6846 6.6846 6.6846 6.6846 13.2043 13.2043 13.2043 13.2043 13.5119 13.5119 13.5119 13.5119 14.6129 14.6129 k =-0.5000 0.2872 0.5562 ( 13900 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.7437 -8.7437 -8.7437 -8.7437 -7.4268 -7.4268 -7.4268 -7.4268 -6.5221 -6.5221 -6.5221 -6.5221 -0.6610 -0.6610 -0.6610 -0.6610 1.0558 1.0558 1.0558 1.0558 2.8383 2.8383 2.8383 2.8383 3.2407 3.2407 3.2407 3.2407 3.3900 3.3900 3.3900 3.3900 4.7296 4.7296 4.7296 4.7296 5.6233 5.6233 5.6233 5.6233 6.1212 6.1212 6.1212 6.1212 6.6846 6.6846 6.6846 6.6846 13.2043 13.2043 13.2043 13.2043 13.5119 13.5119 13.5119 13.5119 14.6129 14.6129 k =-0.5000 0.2872 0.5394 ( 13902 PWs) bands (ev): -36.1554 -36.1554 -36.1548 -36.1548 -8.8022 -8.8022 -8.6840 -8.6840 -7.4383 -7.4383 -7.4167 -7.4167 -6.5246 -6.5246 -6.5181 -6.5181 -0.6597 -0.6597 -0.6595 -0.6595 0.9717 0.9717 1.1376 1.1376 2.8351 2.8351 2.8395 2.8395 3.2182 3.2182 3.2250 3.2250 3.3867 3.3867 3.4328 3.4328 4.7159 4.7159 4.7376 4.7376 5.5967 5.5967 5.6504 5.6504 6.1179 6.1179 6.1267 6.1267 6.6807 6.6807 6.6890 6.6890 13.1594 13.1594 13.2532 13.2532 13.4859 13.4859 13.5380 13.5380 14.6103 14.6103 k =-0.5000 0.2872 0.5225 ( 13894 PWs) bands (ev): -36.1557 -36.1557 -36.1545 -36.1545 -8.8595 -8.8595 -8.6233 -8.6233 -7.4512 -7.4512 -7.4081 -7.4081 -6.5256 -6.5256 -6.5124 -6.5124 -0.6556 -0.6556 -0.6551 -0.6551 0.8855 0.8855 1.2171 1.2171 2.8299 2.8299 2.8390 2.8390 3.1668 3.1668 3.1916 3.1916 3.4143 3.4143 3.4937 3.4937 4.6963 4.6963 4.7401 4.7401 5.5708 5.5708 5.6780 5.6780 6.1168 6.1168 6.1340 6.1340 6.6772 6.6772 6.6940 6.6940 13.1186 13.1186 13.3057 13.3057 13.4604 13.4604 13.5638 13.5638 14.6126 14.6126 k =-0.5000 0.2872 0.5056 ( 13902 PWs) bands (ev): -36.1559 -36.1559 -36.1543 -36.1543 -8.9155 -8.9155 -8.5617 -8.5617 -7.4653 -7.4653 -7.4011 -7.4011 -6.5251 -6.5251 -6.5051 -6.5051 -0.6487 -0.6487 -0.6479 -0.6479 0.7974 0.7974 1.2941 1.2941 2.8224 2.8224 2.8367 2.8367 3.1058 3.1058 3.1533 3.1533 3.4530 3.4530 3.5603 3.5603 4.6712 4.6712 4.7373 4.7373 5.5453 5.5453 5.7060 5.7060 6.1181 6.1181 6.1432 6.1432 6.6737 6.6737 6.6995 6.6995 13.0825 13.0825 13.3614 13.3614 13.4357 13.4357 13.5891 13.5891 14.6196 14.6196 k =-0.5000 0.2872 0.4888 ( 13896 PWs) bands (ev): -36.1562 -36.1562 -36.1540 -36.1540 -8.9702 -8.9702 -8.4992 -8.4992 -7.4805 -7.4805 -7.3957 -7.3957 -6.5234 -6.5234 -6.4961 -6.4961 -0.6390 -0.6390 -0.6379 -0.6379 0.7074 0.7074 1.3686 1.3686 2.8125 2.8125 2.8326 2.8326 3.0425 3.0425 3.1136 3.1136 3.4956 3.4956 3.6289 3.6289 4.6406 4.6406 4.7300 4.7300 5.5203 5.5203 5.7345 5.7345 6.1219 6.1219 6.1541 6.1541 6.6701 6.6701 6.7056 6.7056 13.0512 13.0512 13.4118 13.4118 13.4201 13.4201 13.6134 13.6134 14.6309 14.6309 k =-0.5000 0.2872 0.4719 ( 13904 PWs) bands (ev): -36.1565 -36.1565 -36.1537 -36.1537 -9.0235 -9.0235 -8.4360 -8.4360 -7.4967 -7.4967 -7.3918 -7.3918 -6.5205 -6.5205 -6.4856 -6.4856 -0.6264 -0.6264 -0.6252 -0.6252 0.6159 0.6159 1.4404 1.4404 2.8000 2.8000 2.8268 2.8268 2.9791 2.9791 3.0737 3.0737 3.5401 3.5401 3.6980 3.6980 4.6052 4.6052 4.7188 4.7188 5.4957 5.4957 5.7632 5.7632 6.1282 6.1282 6.1664 6.1664 6.6660 6.6660 6.7121 6.7121 13.0250 13.0250 13.3898 13.3898 13.4806 13.4806 13.6365 13.6365 14.6462 14.6462 k =-0.5000 0.2872 0.4551 ( 13912 PWs) bands (ev): -36.1568 -36.1568 -36.1535 -36.1535 -9.0753 -9.0753 -8.3721 -8.3721 -7.5136 -7.5136 -7.3894 -7.3894 -6.5166 -6.5166 -6.4735 -6.4735 -0.6111 -0.6111 -0.6097 -0.6097 0.5231 0.5231 1.5097 1.5097 2.7845 2.7845 2.8192 2.8192 2.9168 2.9168 3.0342 3.0342 3.5855 3.5855 3.7667 3.7667 4.5653 4.5653 4.7044 4.7044 5.4716 5.4716 5.7921 5.7921 6.1371 6.1371 6.1801 6.1801 6.6610 6.6610 6.7188 6.7188 13.0041 13.0041 13.3693 13.3693 13.5431 13.5431 13.6580 13.6580 14.6649 14.6649 k =-0.5000 0.2872 0.4382 ( 13912 PWs) bands (ev): -36.1570 -36.1570 -36.1532 -36.1532 -9.1257 -9.1257 -8.3077 -8.3077 -7.5311 -7.5311 -7.3885 -7.3885 -6.5118 -6.5118 -6.4600 -6.4600 -0.5931 -0.5931 -0.5915 -0.5915 0.4291 0.4291 1.5762 1.5762 2.7659 2.7659 2.8096 2.8096 2.8559 2.8559 2.9954 2.9954 3.6314 3.6314 3.8346 3.8346 4.5217 4.5217 4.6876 4.6876 5.4480 5.4480 5.8209 5.8209 6.1486 6.1486 6.1950 6.1950 6.6549 6.6549 6.7255 6.7255 12.9887 12.9887 13.3507 13.3507 13.6068 13.6068 13.6775 13.6775 14.6864 14.6864 k =-0.5000 0.2872 0.4214 ( 13896 PWs) bands (ev): -36.1573 -36.1573 -36.1529 -36.1529 -9.1744 -9.1744 -8.2429 -8.2429 -7.5491 -7.5491 -7.3889 -7.3889 -6.5062 -6.5062 -6.4453 -6.4453 -0.5724 -0.5724 -0.5706 -0.5706 0.3343 0.3343 1.6400 1.6400 2.7439 2.7439 2.7951 2.7951 2.7997 2.7997 2.9574 2.9574 3.6775 3.6775 3.9011 3.9011 4.4749 4.4749 4.6694 4.6694 5.4247 5.4247 5.8496 5.8496 6.1628 6.1628 6.2108 6.2108 6.6475 6.6475 6.7320 6.7320 12.9790 12.9790 13.3343 13.3343 13.6708 13.6708 13.6949 13.6949 14.7101 14.7101 k =-0.5000 0.2872 0.4045 ( 13898 PWs) bands (ev): -36.1575 -36.1575 -36.1527 -36.1527 -9.2216 -9.2216 -8.1778 -8.1778 -7.5675 -7.5675 -7.3906 -7.3906 -6.5001 -6.5001 -6.4294 -6.4294 -0.5490 -0.5490 -0.5470 -0.5470 0.2389 0.2389 1.7010 1.7010 2.7181 2.7181 2.7393 2.7393 2.7847 2.7847 2.9203 2.9203 3.7235 3.7235 3.9660 3.9660 4.4257 4.4257 4.6505 4.6505 5.4020 5.4020 5.8778 5.8778 6.1796 6.1796 6.2276 6.2276 6.6384 6.6384 6.7380 6.7380 12.9749 12.9749 13.3204 13.3204 13.7096 13.7096 13.7349 13.7349 14.7355 14.7355 k =-0.5000 0.2872 0.3877 ( 13900 PWs) bands (ev): -36.1578 -36.1578 -36.1524 -36.1524 -9.2671 -9.2671 -8.1127 -8.1127 -7.5860 -7.5860 -7.3933 -7.3933 -6.4934 -6.4934 -6.4126 -6.4126 -0.5230 -0.5230 -0.5209 -0.5209 0.1432 0.1432 1.7594 1.7594 2.6829 2.6829 2.6899 2.6899 2.7687 2.7687 2.8844 2.8844 3.7692 3.7692 4.0288 4.0288 4.3748 4.3748 4.6319 4.6319 5.3798 5.3798 5.9053 5.9053 6.1988 6.1988 6.2451 6.2451 6.6276 6.6276 6.7435 6.7435 12.9766 12.9766 13.3090 13.3090 13.7221 13.7221 13.7973 13.7973 14.7617 14.7617 k =-0.5000 0.2872 0.3708 ( 13900 PWs) bands (ev): -36.1580 -36.1580 -36.1522 -36.1522 -9.3109 -9.3109 -8.0476 -8.0476 -7.6045 -7.6045 -7.3970 -7.3970 -6.4864 -6.4864 -6.3950 -6.3950 -0.4946 -0.4946 -0.4923 -0.4923 0.0475 0.0475 1.8149 1.8149 2.6307 2.6307 2.6558 2.6558 2.7503 2.7503 2.8496 2.8496 3.8146 3.8146 4.0895 4.0895 4.3229 4.3229 4.6141 4.6141 5.3583 5.3583 5.9320 5.9320 6.2205 6.2205 6.2631 6.2631 6.6150 6.6150 6.7482 6.7482 12.9839 12.9839 13.3004 13.3004 13.7318 13.7318 13.8574 13.8574 14.7882 14.7882 k =-0.5000 0.2872 0.3540 ( 13906 PWs) bands (ev): -36.1583 -36.1583 -36.1520 -36.1520 -9.3530 -9.3530 -7.9827 -7.9827 -7.6230 -7.6230 -7.4016 -7.4016 -6.4791 -6.4791 -6.3767 -6.3767 -0.4636 -0.4636 -0.4612 -0.4612 -0.0477 -0.0477 1.8678 1.8678 2.5800 2.5800 2.6181 2.6181 2.7292 2.7292 2.8160 2.8160 3.8595 3.8595 4.1477 4.1477 4.2708 4.2708 4.5979 4.5979 5.3373 5.3373 5.9575 5.9575 6.2443 6.2443 6.2815 6.2815 6.6007 6.6007 6.7520 6.7520 12.9969 12.9969 13.2949 13.2949 13.7388 13.7388 13.9141 13.9141 14.8143 14.8143 k =-0.5000 0.2872 0.3371 ( 13904 PWs) bands (ev): -36.1585 -36.1585 -36.1517 -36.1517 -9.3934 -9.3934 -7.9182 -7.9182 -7.6412 -7.6412 -7.4068 -7.4068 -6.4717 -6.4717 -6.3581 -6.3581 -0.4304 -0.4304 -0.4278 -0.4278 -0.1423 -0.1423 1.9179 1.9179 2.5316 2.5316 2.5765 2.5765 2.7051 2.7051 2.7837 2.7837 3.9036 3.9036 4.2031 4.2031 4.2193 4.2193 4.5838 4.5838 5.3171 5.3171 5.9815 5.9815 6.2701 6.2701 6.3003 6.3003 6.5849 6.5849 6.7548 6.7548 13.0153 13.0153 13.2924 13.2924 13.7432 13.7432 13.9663 13.9663 14.8394 14.8394 k =-0.5000 0.2872 0.3202 ( 13910 PWs) bands (ev): -36.1587 -36.1587 -36.1515 -36.1515 -9.4319 -9.4319 -7.8544 -7.8544 -7.6592 -7.6592 -7.4125 -7.4125 -6.4641 -6.4641 -6.3392 -6.3392 -0.3949 -0.3949 -0.3921 -0.3921 -0.2358 -0.2358 1.9652 1.9652 2.4855 2.4855 2.5308 2.5308 2.6781 2.6781 2.7527 2.7527 3.9470 3.9470 4.1684 4.1684 4.2563 4.2563 4.5723 4.5723 5.2976 5.2976 6.0037 6.0037 6.2975 6.2975 6.3191 6.3191 6.5678 6.5678 6.7567 6.7567 13.0390 13.0390 13.2932 13.2932 13.7451 13.7451 14.0129 14.0129 14.8629 14.8629 k =-0.5000 0.2872 0.3034 ( 13904 PWs) bands (ev): -36.1590 -36.1590 -36.1513 -36.1513 -9.4687 -9.4687 -7.7914 -7.7914 -7.6768 -7.6768 -7.4187 -7.4187 -6.4566 -6.4566 -6.3202 -6.3202 -0.3573 -0.3573 -0.3542 -0.3542 -0.3279 -0.3279 2.0099 2.0099 2.4417 2.4417 2.4813 2.4813 2.6479 2.6479 2.7230 2.7230 3.9893 3.9893 4.1195 4.1195 4.3065 4.3065 4.5635 4.5635 5.2789 5.2789 6.0236 6.0236 6.3263 6.3263 6.3380 6.3380 6.5499 6.5499 6.7575 6.7575 13.0676 13.0676 13.2973 13.2973 13.7447 13.7447 14.0534 14.0534 14.8845 14.8845 k =-0.5000 0.2872 0.2865 ( 13908 PWs) bands (ev): -36.1592 -36.1592 -36.1511 -36.1511 -9.5035 -9.5035 -7.7294 -7.7294 -7.6938 -7.6938 -7.4252 -7.4252 -6.4492 -6.4492 -6.3013 -6.3013 -0.4183 -0.4183 -0.3178 -0.3178 -0.3141 -0.3141 2.0518 2.0518 2.4003 2.4003 2.4281 2.4281 2.6144 2.6144 2.6948 2.6948 4.0304 4.0304 4.0729 4.0729 4.3538 4.3538 4.5577 4.5577 5.2610 5.2610 6.0407 6.0407 6.3550 6.3550 6.3579 6.3579 6.5317 6.5317 6.7574 6.7574 13.1009 13.1009 13.3047 13.3047 13.7421 13.7421 14.0873 14.0873 14.9038 14.9038 k =-0.5000 0.2872 0.2697 ( 13900 PWs) bands (ev): -36.1594 -36.1594 -36.1509 -36.1509 -9.5366 -9.5366 -7.7103 -7.7103 -7.6687 -7.6687 -7.4319 -7.4319 -6.4419 -6.4419 -6.2826 -6.2826 -0.5064 -0.5064 -0.2766 -0.2766 -0.2722 -0.2722 2.0911 2.0911 2.3609 2.3609 2.3720 2.3720 2.5777 2.5777 2.6680 2.6680 4.0287 4.0287 4.0704 4.0704 4.3984 4.3984 4.5550 4.5550 5.2441 5.2441 6.0544 6.0544 6.3747 6.3747 6.3871 6.3871 6.5141 6.5141 6.7563 6.7563 13.1384 13.1384 13.3155 13.3155 13.7377 13.7377 14.1145 14.1145 14.9203 14.9203 k =-0.5000 0.2872 0.2528 ( 13906 PWs) bands (ev): -36.1595 -36.1595 -36.1507 -36.1507 -9.5677 -9.5677 -7.7261 -7.7261 -7.6096 -7.6096 -7.4387 -7.4387 -6.4348 -6.4348 -6.2643 -6.2643 -0.5921 -0.5921 -0.2339 -0.2339 -0.2285 -0.2285 2.1277 2.1277 2.3113 2.3113 2.3256 2.3256 2.5379 2.5379 2.6426 2.6426 3.9878 3.9878 4.1087 4.1087 4.4401 4.4401 4.5553 4.5553 5.2281 5.2281 6.0641 6.0641 6.3928 6.3928 6.4179 6.4179 6.4976 6.4976 6.7544 6.7544 13.1798 13.1798 13.3296 13.3296 13.7318 13.7318 14.1356 14.1356 14.9064 14.9064 k =-0.5000 0.2872 0.2360 ( 13926 PWs) bands (ev): -36.1597 -36.1597 -36.1505 -36.1505 -9.5969 -9.5969 -7.7412 -7.7412 -7.5523 -7.5523 -7.4454 -7.4454 -6.4280 -6.4280 -6.2465 -6.2465 -0.6747 -0.6747 -0.1899 -0.1899 -0.1831 -0.1831 2.1617 2.1617 2.2496 2.2496 2.2911 2.2911 2.4953 2.4953 2.6188 2.6188 3.9501 3.9501 4.1455 4.1455 4.4790 4.4790 4.5585 4.5585 5.2130 5.2130 6.0691 6.0691 6.4103 6.4103 6.4487 6.4487 6.4834 6.4834 6.7517 6.7517 13.2245 13.2245 13.3469 13.3469 13.7246 13.7246 14.1511 14.1511 14.8681 14.8681 k =-0.5000 0.2872 0.2191 ( 13922 PWs) bands (ev): -36.1599 -36.1599 -36.1504 -36.1504 -9.6242 -9.6242 -7.7555 -7.7555 -7.4971 -7.4971 -7.4520 -7.4520 -6.4215 -6.4215 -6.2294 -6.2294 -0.7541 -0.7541 -0.1450 -0.1450 -0.1363 -0.1363 2.1849 2.1849 2.1939 2.1939 2.2593 2.2593 2.4502 2.4502 2.5966 2.5966 3.9158 3.9158 4.1806 4.1806 4.5151 4.5151 4.5643 4.5643 5.1989 5.1989 6.0691 6.0691 6.4271 6.4271 6.4715 6.4715 6.4794 6.4794 6.7484 6.7484 13.2720 13.2720 13.3673 13.3673 13.7164 13.7164 14.1617 14.1617 14.8299 14.8299 k =-0.5000 0.2872 0.2023 ( 13922 PWs) bands (ev): -36.1601 -36.1601 -36.1502 -36.1502 -9.6495 -9.6495 -7.7689 -7.7689 -7.4585 -7.4585 -7.4443 -7.4443 -6.4154 -6.4154 -6.2131 -6.2131 -0.8296 -0.8296 -0.0996 -0.0996 -0.0884 -0.0884 2.1203 2.1203 2.2220 2.2220 2.2300 2.2300 2.4030 2.4030 2.5759 2.5759 3.8849 3.8849 4.2138 4.2138 4.5484 4.5484 4.5726 4.5726 5.1859 5.1859 6.0639 6.0639 6.4431 6.4431 6.4635 6.4635 6.5087 6.5087 6.7446 6.7446 13.3217 13.3217 13.3905 13.3905 13.7076 13.7076 14.1684 14.1684 14.7921 14.7921 k =-0.5000 0.2872 0.1854 ( 13920 PWs) bands (ev): -36.1602 -36.1602 -36.1501 -36.1501 -9.6728 -9.6728 -7.7815 -7.7815 -7.4647 -7.4647 -7.3942 -7.3942 -6.4096 -6.4096 -6.1977 -6.1977 -0.9011 -0.9011 -0.0539 -0.0539 -0.0396 -0.0396 2.0542 2.0542 2.2029 2.2029 2.2485 2.2485 2.3543 2.3543 2.5567 2.5567 3.8575 3.8575 4.2449 4.2449 4.5788 4.5788 4.5832 4.5832 5.1738 5.1738 6.0538 6.0538 6.4579 6.4579 6.4590 6.4590 6.5371 6.5371 6.7405 6.7405 13.3728 13.3728 13.4162 13.4162 13.6984 13.6984 14.1718 14.1718 14.7552 14.7552 k =-0.5000 0.2872 0.1685 ( 13916 PWs) bands (ev): -36.1603 -36.1603 -36.1499 -36.1499 -9.6942 -9.6942 -7.7931 -7.7931 -7.4705 -7.4705 -7.3471 -7.3471 -6.4042 -6.4042 -6.1833 -6.1833 -0.9680 -0.9680 -0.0085 -0.0085 0.0096 0.0096 1.9880 1.9880 2.1783 2.1783 2.2723 2.2723 2.3050 2.3050 2.5393 2.5393 3.8333 3.8333 4.2738 4.2738 4.5946 4.5946 4.6073 4.6073 5.1628 5.1628 6.0393 6.0393 6.4568 6.4568 6.4725 6.4725 6.5641 6.5641 6.7361 6.7361 13.4246 13.4246 13.4440 13.4440 13.6891 13.6891 14.1729 14.1729 14.7199 14.7199 k =-0.5000 0.2872 0.1517 ( 13922 PWs) bands (ev): -36.1605 -36.1605 -36.1498 -36.1498 -9.7136 -9.7136 -7.8037 -7.8037 -7.4760 -7.4760 -7.3032 -7.3032 -6.3993 -6.3993 -6.1699 -6.1699 -1.0300 -1.0300 0.0361 0.0361 0.0588 0.0588 1.9226 1.9226 2.1560 2.1560 2.2555 2.2555 2.2939 2.2939 2.5234 2.5234 3.8122 3.8122 4.3005 4.3005 4.6078 4.6078 4.6326 4.6326 5.1528 5.1528 6.0217 6.0217 6.4574 6.4574 6.4857 6.4857 6.5893 6.5893 6.7317 6.7317 13.4730 13.4730 13.4768 13.4768 13.6800 13.6800 14.1721 14.1721 14.6863 14.6863 k =-0.5000 0.2872 0.1348 ( 13928 PWs) bands (ev): -36.1606 -36.1606 -36.1497 -36.1497 -9.7309 -9.7309 -7.8133 -7.8133 -7.4810 -7.4810 -7.2630 -7.2630 -6.3949 -6.3949 -6.1577 -6.1577 -1.0867 -1.0867 0.0793 0.0793 0.1073 0.1073 1.8588 1.8588 2.1361 2.1361 2.2072 2.2072 2.3129 2.3129 2.5092 2.5092 3.7941 3.7941 4.3247 4.3247 4.6216 4.6216 4.6553 4.6553 5.1439 5.1439 6.0019 6.0019 6.4599 6.4599 6.4977 6.4977 6.6125 6.6125 6.7273 6.7273 13.5038 13.5038 13.5272 13.5272 13.6712 13.6712 14.1702 14.1702 14.6552 14.6552 k =-0.5000 0.2872 0.1180 ( 13930 PWs) bands (ev): -36.1607 -36.1607 -36.1496 -36.1496 -9.7463 -9.7463 -7.8218 -7.8218 -7.4856 -7.4856 -7.2267 -7.2267 -6.3909 -6.3909 -6.1468 -6.1468 -1.1376 -1.1376 0.1204 0.1204 0.1545 0.1545 1.7975 1.7975 2.1185 2.1185 2.1609 2.1609 2.3295 2.3295 2.4967 2.4967 3.7787 3.7787 4.3464 4.3464 4.6357 4.6357 4.6753 4.6753 5.1360 5.1360 5.9812 5.9812 6.4636 6.4636 6.5085 6.5085 6.6334 6.6334 6.7231 6.7231 13.5345 13.5345 13.5758 13.5758 13.6630 13.6630 14.1676 14.1676 14.6267 14.6267 k =-0.5000 0.2872 0.1011 ( 13934 PWs) bands (ev): -36.1608 -36.1608 -36.1495 -36.1495 -9.7596 -9.7596 -7.8292 -7.8292 -7.4896 -7.4896 -7.1945 -7.1945 -6.3874 -6.3874 -6.1372 -6.1372 -1.1826 -1.1826 0.1586 0.1586 0.1994 0.1994 1.7399 1.7399 2.1029 2.1029 2.1179 2.1179 2.3438 2.3438 2.4859 2.4859 3.7659 3.7659 4.3654 4.3654 4.6494 4.6494 4.6927 4.6927 5.1292 5.1292 5.9607 5.9607 6.4678 6.4678 6.5180 6.5180 6.6520 6.6520 6.7192 6.7192 13.5645 13.5645 13.6213 13.6213 13.6556 13.6556 14.1646 14.1646 14.6013 14.6013 k =-0.5000 0.2872 0.0843 ( 13942 PWs) bands (ev): -36.1608 -36.1608 -36.1495 -36.1495 -9.7709 -9.7709 -7.8356 -7.8356 -7.4930 -7.4930 -7.1668 -7.1668 -6.3845 -6.3845 -6.1290 -6.1290 -1.2213 -1.2213 0.1931 0.1931 0.2410 0.2410 1.6873 1.6873 2.0772 2.0772 2.0914 2.0914 2.3557 2.3557 2.4768 2.4768 3.7553 3.7553 4.3816 4.3816 4.6623 4.6623 4.7074 4.7074 5.1234 5.1234 5.9414 5.9414 6.4721 6.4721 6.5261 6.5261 6.6679 6.6679 6.7157 6.7157 13.5929 13.5929 13.6489 13.6489 13.6629 13.6629 14.1616 14.1616 14.5792 14.5792 k =-0.5000 0.2872 0.0674 ( 13942 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.7801 -9.7801 -7.8408 -7.8408 -7.4959 -7.4959 -7.1438 -7.1438 -6.3820 -6.3820 -6.1222 -6.1222 -1.2533 -1.2533 0.2229 0.2229 0.2779 0.2779 1.6410 1.6410 2.0435 2.0435 2.0805 2.0805 2.3654 2.3654 2.4694 2.4694 3.7470 3.7470 4.3950 4.3950 4.6738 4.6738 4.7195 4.7195 5.1187 5.1187 5.9242 5.9242 6.4760 6.4760 6.5328 6.5328 6.6811 6.6811 6.7127 6.7127 13.6181 13.6181 13.6440 13.6440 13.6986 13.6986 14.1589 14.1589 14.5608 14.5608 k =-0.5000 0.2872 0.0506 ( 13936 PWs) bands (ev): -36.1609 -36.1609 -36.1494 -36.1494 -9.7873 -9.7873 -7.8449 -7.8449 -7.4981 -7.4981 -7.1257 -7.1257 -6.3801 -6.3801 -6.1169 -6.1169 -1.2785 -1.2785 0.2473 0.2473 0.3089 0.3089 1.6027 1.6027 2.0156 2.0156 2.0723 2.0723 2.3728 2.3728 2.4638 2.4638 3.7406 3.7406 4.4055 4.4055 4.6833 4.6833 4.7289 4.7289 5.1150 5.1150 5.9099 5.9099 6.4794 6.4794 6.5381 6.5381 6.6914 6.6914 6.7103 6.7103 13.6348 13.6348 13.6447 13.6447 13.7279 13.7279 14.1565 14.1565 14.5461 14.5461 k =-0.5000 0.2872 0.0337 ( 13928 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.7925 -9.7925 -7.8478 -7.8478 -7.4998 -7.4998 -7.1126 -7.1126 -6.3788 -6.3788 -6.1131 -6.1131 -1.2966 -1.2966 0.2655 0.2655 0.3324 0.3324 1.5739 1.5739 1.9949 1.9949 2.0665 2.0665 2.3780 2.3780 2.4598 2.4598 3.7362 3.7362 4.4131 4.4131 4.6905 4.6905 4.7357 4.7357 5.1124 5.1124 5.8992 5.8992 6.4819 6.4819 6.5419 6.5419 6.6989 6.6989 6.7085 6.7085 13.6344 13.6344 13.6585 13.6585 13.7497 13.7497 14.1548 14.1548 14.5352 14.5352 k =-0.5000 0.2872 0.0169 ( 13936 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.7955 -9.7955 -7.8495 -7.8495 -7.5007 -7.5007 -7.1047 -7.1047 -6.3780 -6.3780 -6.1108 -6.1108 -1.3075 -1.3075 0.2766 0.2766 0.3471 0.3471 1.5559 1.5559 1.9821 1.9821 2.0630 2.0630 2.3811 2.3811 2.4574 2.4574 3.7335 3.7335 4.4176 4.4176 4.6949 4.6949 4.7397 4.7397 5.1108 5.1108 5.8926 5.8926 6.4835 6.4835 6.5442 6.5442 6.7033 6.7033 6.7075 6.7075 13.6328 13.6328 13.6686 13.6686 13.7632 13.7632 14.1537 14.1537 14.5283 14.5283 k =-0.5000 0.2872-0.0000 ( 13928 PWs) bands (ev): -36.1610 -36.1610 -36.1493 -36.1493 -9.7966 -9.7966 -7.8501 -7.8501 -7.5011 -7.5011 -7.1021 -7.1021 -6.3777 -6.3777 -6.1100 -6.1100 -1.3112 -1.3112 0.2804 0.2804 0.3522 0.3522 1.5498 1.5498 1.9778 1.9778 2.0618 2.0618 2.3822 2.3822 2.4566 2.4566 3.7327 3.7327 4.4191 4.4191 4.6965 4.6965 4.7411 4.7411 5.1103 5.1103 5.8904 5.8904 6.4840 6.4840 6.5450 6.5450 6.7047 6.7047 6.7073 6.7073 13.6322 13.6322 13.6721 13.6721 13.7677 13.7677 14.1533 14.1533 14.5258 14.5258 k = 0.0000 0.0000 0.5562 ( 13914 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -9.0837 -9.0837 -9.0837 -9.0837 -7.1166 -7.1166 -7.1166 -7.1166 -6.0389 -6.0389 -6.0389 -6.0389 -1.6228 -1.6228 -1.6228 -1.6228 1.7069 1.7069 1.7069 1.7069 1.9836 1.9836 1.9836 1.9836 2.5141 2.5141 2.5141 2.5141 4.1441 4.1441 4.1441 4.1441 4.8030 4.8030 4.8030 4.8030 5.9080 5.9080 5.9080 5.9080 6.1623 6.1623 6.1623 6.1623 7.2998 7.2998 7.2998 7.2998 13.0487 13.0487 13.0487 13.0487 14.0286 14.0286 14.0286 14.0286 14.9151 14.9151 k =-0.0143 0.0082 0.5562 ( 13928 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -9.0831 -9.0831 -9.0831 -9.0831 -7.1171 -7.1171 -7.1169 -7.1169 -6.0403 -6.0403 -6.0399 -6.0399 -1.6211 -1.6211 -1.6209 -1.6209 1.7034 1.7034 1.7046 1.7046 1.9859 1.9859 1.9874 1.9874 2.5153 2.5153 2.5156 2.5156 4.1430 4.1430 4.1432 4.1432 4.8046 4.8046 4.8047 4.8047 5.9043 5.9043 5.9046 5.9046 6.1617 6.1617 6.1618 6.1618 7.3002 7.3002 7.3004 7.3004 13.0485 13.0485 13.0489 13.0489 14.0303 14.0303 14.0308 14.0308 14.9118 14.9118 k =-0.0286 0.0164 0.5562 ( 13916 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -9.0815 -9.0815 -9.0815 -9.0815 -7.1184 -7.1184 -7.1180 -7.1180 -6.0439 -6.0439 -6.0432 -6.0432 -1.6161 -1.6161 -1.6156 -1.6156 1.6943 1.6943 1.6965 1.6965 1.9942 1.9942 1.9971 1.9971 2.5194 2.5194 2.5200 2.5200 4.1400 4.1400 4.1405 4.1405 4.8093 4.8093 4.8096 4.8096 5.8936 5.8936 5.8942 5.8942 6.1599 6.1599 6.1602 6.1602 7.3015 7.3015 7.3019 7.3019 13.0482 13.0482 13.0491 13.0491 14.0356 14.0356 14.0366 14.0366 14.9031 14.9031 k =-0.0429 0.0246 0.5562 ( 13918 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -9.0789 -9.0789 -9.0788 -9.0788 -7.1206 -7.1206 -7.1200 -7.1200 -6.0497 -6.0497 -6.0487 -6.0487 -1.6076 -1.6076 -1.6069 -1.6069 1.6806 1.6806 1.6836 1.6836 2.0077 2.0077 2.0116 2.0116 2.5262 2.5262 2.5271 2.5271 4.1351 4.1351 4.1358 4.1358 4.8171 4.8171 4.8176 4.8176 5.8761 5.8761 5.8771 5.8771 6.1569 6.1569 6.1575 6.1575 7.3035 7.3035 7.3042 7.3042 13.0480 13.0480 13.0493 13.0493 14.0444 14.0444 14.0459 14.0459 14.8887 14.8887 k =-0.0571 0.0328 0.5562 ( 13906 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -9.0752 -9.0752 -9.0751 -9.0751 -7.1235 -7.1235 -7.1228 -7.1228 -6.0577 -6.0577 -6.0564 -6.0564 -1.5958 -1.5958 -1.5949 -1.5949 1.6633 1.6633 1.6668 1.6668 2.0255 2.0255 2.0302 2.0302 2.5356 2.5356 2.5368 2.5368 4.1284 4.1284 4.1293 4.1293 4.8279 4.8279 4.8286 4.8286 5.8525 5.8525 5.8537 5.8537 6.1529 6.1529 6.1535 6.1535 7.3059 7.3059 7.3068 7.3068 13.0479 13.0479 13.0496 13.0496 14.0561 14.0561 14.0581 14.0581 14.8685 14.8685 k =-0.0714 0.0410 0.5562 ( 13904 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -9.0705 -9.0705 -9.0704 -9.0704 -7.1273 -7.1273 -7.1263 -7.1263 -6.0678 -6.0678 -6.0662 -6.0662 -1.5808 -1.5808 -1.5795 -1.5795 1.6433 1.6433 1.6471 1.6471 2.0468 2.0468 2.0521 2.0521 2.5474 2.5474 2.5489 2.5489 4.1198 4.1198 4.1209 4.1209 4.8416 4.8416 4.8424 4.8424 5.8233 5.8233 5.8248 5.8248 6.1476 6.1476 6.1483 6.1483 7.3084 7.3084 7.3095 7.3095 13.0481 13.0481 13.0502 13.0502 14.0702 14.0702 14.0726 14.0726 14.8430 14.8430 k =-0.0857 0.0492 0.5562 ( 13914 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -9.0647 -9.0647 -9.0646 -9.0646 -7.1319 -7.1319 -7.1307 -7.1307 -6.0799 -6.0799 -6.0780 -6.0780 -1.5625 -1.5625 -1.5611 -1.5611 1.6212 1.6212 1.6252 1.6252 2.0709 2.0709 2.0766 2.0766 2.5616 2.5616 2.5632 2.5632 4.1093 4.1093 4.1107 4.1107 4.8579 4.8579 4.8589 4.8589 5.7892 5.7892 5.7910 5.7910 6.1412 6.1412 6.1420 6.1420 7.3106 7.3106 7.3117 7.3117 13.0486 13.0486 13.0510 13.0510 14.0858 14.0858 14.0886 14.0886 14.8129 14.8129 k =-0.1000 0.0574 0.5562 ( 13914 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -9.0579 -9.0579 -9.0578 -9.0578 -7.1373 -7.1373 -7.1360 -7.1360 -6.0938 -6.0938 -6.0917 -6.0917 -1.5412 -1.5412 -1.5396 -1.5396 1.5976 1.5976 1.6016 1.6016 2.0974 2.0974 2.1033 2.1033 2.5778 2.5778 2.5797 2.5797 4.0970 4.0970 4.0986 4.0986 4.8767 4.8767 4.8779 4.8779 5.7512 5.7512 5.7532 5.7532 6.1336 6.1336 6.1345 6.1345 7.3119 7.3119 7.3131 7.3131 13.0496 13.0496 13.0524 13.0524 14.1017 14.1017 14.1048 14.1048 14.7798 14.7798 k =-0.1143 0.0656 0.5562 ( 13910 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -9.0502 -9.0502 -9.0501 -9.0501 -7.1434 -7.1434 -7.1420 -7.1420 -6.1094 -6.1094 -6.1070 -6.1070 -1.5171 -1.5171 -1.5152 -1.5152 1.5729 1.5729 1.5769 1.5769 2.1260 2.1260 2.1320 2.1320 2.5959 2.5959 2.5980 2.5980 4.0828 4.0828 4.0847 4.0847 4.8976 4.8976 4.8990 4.8990 5.7100 5.7100 5.7123 5.7123 6.1247 6.1247 6.1257 6.1257 7.3119 7.3119 7.3133 7.3133 13.0511 13.0511 13.0542 13.0542 14.1165 14.1165 14.1199 14.1199 14.7455 14.7455 k =-0.1286 0.0738 0.5562 ( 13906 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -9.0416 -9.0416 -9.0414 -9.0414 -7.1504 -7.1504 -7.1488 -7.1488 -6.1266 -6.1266 -6.1239 -6.1239 -1.4901 -1.4901 -1.4881 -1.4881 1.5474 1.5474 1.5513 1.5513 2.1563 2.1563 2.1624 2.1624 2.6158 2.6158 2.6180 2.6180 4.0667 4.0667 4.0688 4.0688 4.9203 4.9203 4.9218 4.9218 5.6668 5.6668 5.6693 5.6693 6.1147 6.1147 6.1159 6.1159 7.3104 7.3104 7.3118 7.3118 13.0534 13.0534 13.0567 13.0567 14.1282 14.1282 14.1318 14.1318 14.7126 14.7126 k =-0.1429 0.0821 0.5562 ( 13904 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -9.0320 -9.0320 -9.0318 -9.0318 -7.1582 -7.1582 -7.1564 -7.1564 -6.1450 -6.1450 -6.1421 -6.1421 -1.4606 -1.4606 -1.4585 -1.4585 1.5213 1.5213 1.5252 1.5252 2.1882 2.1882 2.1943 2.1943 2.6373 2.6373 2.6395 2.6395 4.0487 4.0487 4.0511 4.0511 4.9442 4.9442 4.9459 4.9459 5.6225 5.6225 5.6252 5.6252 6.1036 6.1036 6.1048 6.1048 7.3069 7.3069 7.3084 7.3084 13.0563 13.0563 13.0599 13.0599 14.1348 14.1348 14.1385 14.1385 14.6835 14.6835 k =-0.1571 0.0903 0.5562 ( 13908 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -9.0216 -9.0216 -9.0213 -9.0213 -7.1668 -7.1668 -7.1649 -7.1649 -6.1646 -6.1646 -6.1615 -6.1615 -1.4288 -1.4288 -1.4265 -1.4265 1.4950 1.4950 1.4987 1.4987 2.2214 2.2214 2.2274 2.2274 2.6602 2.6602 2.6626 2.6626 4.0287 4.0287 4.0314 4.0314 4.9687 4.9687 4.9706 4.9706 5.5784 5.5784 5.5813 5.5813 6.0914 6.0914 6.0927 6.0927 7.3013 7.3013 7.3028 7.3028 13.0601 13.0601 13.0638 13.0638 14.1341 14.1341 14.1378 14.1378 14.6608 14.6608 k =-0.1714 0.0985 0.5562 ( 13896 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -9.0103 -9.0103 -9.0101 -9.0101 -7.1761 -7.1761 -7.1741 -7.1741 -6.1851 -6.1851 -6.1818 -6.1818 -1.3947 -1.3947 -1.3923 -1.3923 1.4684 1.4684 1.4721 1.4721 2.2556 2.2556 2.2616 2.2616 2.6846 2.6846 2.6869 2.6869 4.0068 4.0068 4.0097 4.0097 4.9928 4.9928 4.9949 4.9949 5.5359 5.5359 5.5391 5.5391 6.0781 6.0781 6.0795 6.0795 7.2932 7.2932 7.2948 7.2948 13.0646 13.0646 13.0684 13.0684 14.1244 14.1244 14.1280 14.1280 14.6464 14.6464 k =-0.1857 0.1067 0.5562 ( 13880 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.9983 -8.9983 -8.9981 -8.9981 -7.1861 -7.1861 -7.1840 -7.1840 -6.2063 -6.2063 -6.2029 -6.2029 -1.3588 -1.3588 -1.3562 -1.3562 1.4418 1.4418 1.4453 1.4453 2.2907 2.2907 2.2966 2.2966 2.7102 2.7102 2.7126 2.7126 3.9828 3.9828 3.9860 3.9860 5.0152 5.0152 5.0175 5.0175 5.4969 5.4969 5.5003 5.5003 6.0638 6.0638 6.0653 6.0653 7.2825 7.2825 7.2842 7.2842 13.0698 13.0698 13.0738 13.0738 14.1053 14.1053 14.1087 14.1087 14.6408 14.6408 k =-0.2000 0.1149 0.5562 ( 13880 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.9856 -8.9856 -8.9853 -8.9853 -7.1969 -7.1969 -7.1947 -7.1947 -6.2281 -6.2281 -6.2245 -6.2245 -1.3211 -1.3211 -1.3185 -1.3185 1.4153 1.4153 1.4187 1.4187 2.3264 2.3264 2.3322 2.3322 2.7371 2.7371 2.7396 2.7396 3.9567 3.9567 3.9602 3.9602 5.0340 5.0340 5.0366 5.0366 5.4635 5.4635 5.4671 5.4671 6.0485 6.0485 6.0502 6.0502 7.2692 7.2692 7.2709 7.2709 13.0758 13.0758 13.0799 13.0799 14.0776 14.0776 14.0808 14.0808 14.6431 14.6431 k =-0.2143 0.1231 0.5562 ( 13892 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.9722 -8.9722 -8.9720 -8.9720 -7.2084 -7.2084 -7.2061 -7.2061 -6.2501 -6.2501 -6.2465 -6.2465 -1.2819 -1.2819 -1.2792 -1.2792 1.3890 1.3890 1.3923 1.3923 2.3623 2.3623 2.3680 2.3680 2.7653 2.7653 2.7679 2.7679 3.9286 3.9286 3.9324 3.9324 5.0469 5.0469 5.0498 5.0498 5.4385 5.4385 5.4424 5.4424 6.0325 6.0325 6.0343 6.0343 7.2532 7.2532 7.2550 7.2550 13.0824 13.0824 13.0865 13.0865 14.0431 14.0431 14.0461 14.0461 14.6514 14.6514 k =-0.2286 0.1313 0.5562 ( 13884 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.9583 -8.9583 -8.9581 -8.9581 -7.2205 -7.2205 -7.2181 -7.2181 -6.2723 -6.2723 -6.2686 -6.2686 -1.2415 -1.2415 -1.2388 -1.2388 1.3631 1.3631 1.3662 1.3662 2.3982 2.3982 2.4038 2.4038 2.7948 2.7948 2.7974 2.7974 3.8985 3.8985 3.9025 3.9025 5.0513 5.0513 5.0544 5.0544 5.4246 5.4246 5.4287 5.4287 6.0158 6.0158 6.0177 6.0177 7.2345 7.2345 7.2364 7.2364 13.0896 13.0896 13.0938 13.0938 14.0040 14.0040 14.0067 14.0067 14.6632 14.6632 k =-0.2429 0.1395 0.5562 ( 13894 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.9439 -8.9439 -8.9437 -8.9437 -7.2332 -7.2332 -7.2308 -7.2308 -6.2944 -6.2944 -6.2906 -6.2906 -1.2001 -1.2001 -1.1974 -1.1974 1.3375 1.3375 1.3405 1.3405 2.4338 2.4338 2.4393 2.4393 2.8255 2.8255 2.8282 2.8282 3.8664 3.8664 3.8707 3.8707 5.0461 5.0461 5.0492 5.0492 5.4235 5.4235 5.4275 5.4275 5.9987 5.9987 6.0006 6.0006 7.2132 7.2132 7.2152 7.2152 13.0972 13.0972 13.1014 13.1014 13.9621 13.9621 13.9645 13.9645 14.6765 14.6765 k =-0.2571 0.1477 0.5562 ( 13890 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.9291 -8.9291 -8.9289 -8.9289 -7.2465 -7.2465 -7.2440 -7.2440 -6.3161 -6.3161 -6.3124 -6.3124 -1.1581 -1.1581 -1.1553 -1.1553 1.3124 1.3124 1.3153 1.3153 2.4688 2.4688 2.4742 2.4742 2.8575 2.8575 2.8602 2.8602 3.8325 3.8325 3.8370 3.8370 5.0319 5.0319 5.0347 5.0347 5.4344 5.4344 5.4382 5.4382 5.9813 5.9813 5.9833 5.9833 7.1894 7.1894 7.1915 7.1915 13.1053 13.1053 13.1095 13.1095 13.9189 13.9189 13.9212 13.9212 14.6894 14.6894 k =-0.2714 0.1559 0.5562 ( 13884 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.9141 -8.9141 -8.9138 -8.9138 -7.2602 -7.2602 -7.2577 -7.2577 -6.3374 -6.3374 -6.3338 -6.3338 -1.1156 -1.1156 -1.1129 -1.1129 1.2879 1.2879 1.2907 1.2907 2.5030 2.5030 2.5083 2.5083 2.8906 2.8906 2.8934 2.8934 3.7969 3.7969 3.8016 3.8016 5.0108 5.0108 5.0134 5.0134 5.4548 5.4548 5.4584 5.4584 5.9640 5.9640 5.9661 5.9661 7.1631 7.1631 7.1653 7.1653 13.1136 13.1136 13.1177 13.1177 13.8758 13.8758 13.8778 13.8778 14.7006 14.7006 k =-0.2857 0.1641 0.5562 ( 13880 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.8988 -8.8988 -8.8985 -8.8985 -7.2742 -7.2742 -7.2718 -7.2718 -6.3581 -6.3581 -6.3545 -6.3545 -1.0731 -1.0731 -1.0704 -1.0704 1.2640 1.2640 1.2667 1.2667 2.5361 2.5361 2.5412 2.5412 2.9247 2.9247 2.9276 2.9276 3.7598 3.7598 3.7647 3.7647 4.9855 4.9855 4.9879 4.9879 5.4819 5.4819 5.4851 5.4851 5.9473 5.9473 5.9494 5.9494 7.1346 7.1346 7.1369 7.1369 13.1221 13.1221 13.1261 13.1261 13.8335 13.8335 13.8354 13.8354 14.7090 14.7090 k =-0.3000 0.1723 0.5562 ( 13892 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.8835 -8.8835 -8.8832 -8.8832 -7.2886 -7.2886 -7.2862 -7.2862 -6.3780 -6.3780 -6.3745 -6.3745 -1.0308 -1.0308 -1.0282 -1.0282 1.2409 1.2409 1.2435 1.2435 2.5679 2.5679 2.5729 2.5729 2.9597 2.9597 2.9626 2.9626 3.7216 3.7216 3.7267 3.7267 4.9583 4.9583 4.9604 4.9604 5.5128 5.5128 5.5158 5.5158 5.9318 5.9318 5.9340 5.9340 7.1039 7.1039 7.1064 7.1064 13.1306 13.1306 13.1345 13.1345 13.7928 13.7928 13.7945 13.7945 14.7141 14.7141 k =-0.3143 0.1805 0.5562 ( 13892 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.8682 -8.8682 -8.8679 -8.8679 -7.3030 -7.3030 -7.3007 -7.3007 -6.3969 -6.3969 -6.3935 -6.3935 -0.9891 -0.9891 -0.9865 -0.9865 1.2187 1.2187 1.2211 1.2211 2.5983 2.5983 2.6033 2.6033 2.9952 2.9952 2.9982 2.9982 3.6826 3.6826 3.6879 3.6879 4.9305 4.9305 4.9324 4.9324 5.5452 5.5452 5.5479 5.5479 5.9184 5.9184 5.9208 5.9208 7.0714 7.0714 7.0740 7.0740 13.1390 13.1390 13.1428 13.1428 13.7541 13.7541 13.7557 13.7557 14.7157 14.7157 k =-0.3286 0.1887 0.5562 ( 13878 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.8531 -8.8531 -8.8528 -8.8528 -7.3175 -7.3175 -7.3153 -7.3153 -6.4148 -6.4148 -6.4116 -6.4116 -0.9483 -0.9483 -0.9458 -0.9458 1.1973 1.1973 1.1996 1.1996 2.6273 2.6273 2.6322 2.6322 3.0309 3.0309 3.0340 3.0340 3.6433 3.6433 3.6487 3.6487 4.9034 4.9034 4.9050 4.9050 5.5766 5.5766 5.5792 5.5792 5.9083 5.9083 5.9110 5.9110 7.0373 7.0373 7.0399 7.0399 13.1473 13.1473 13.1509 13.1509 13.7179 13.7179 13.7194 13.7194 14.7138 14.7138 k =-0.3429 0.1969 0.5562 ( 13880 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.8384 -8.8384 -8.8381 -8.8381 -7.3318 -7.3318 -7.3297 -7.3297 -6.4316 -6.4316 -6.4285 -6.4285 -0.9087 -0.9087 -0.9064 -0.9064 1.1770 1.1770 1.1792 1.1792 2.6549 2.6549 2.6596 2.6596 3.0662 3.0662 3.0694 3.0694 3.6041 3.6041 3.6095 3.6095 4.8774 4.8774 4.8789 4.8789 5.6048 5.6048 5.6074 5.6074 5.9034 5.9034 5.9064 5.9064 7.0018 7.0018 7.0045 7.0045 13.1553 13.1553 13.1587 13.1587 13.6845 13.6845 13.6858 13.6858 14.7086 14.7086 k =-0.3571 0.2051 0.5562 ( 13880 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.8241 -8.8241 -8.8239 -8.8239 -7.3458 -7.3458 -7.3438 -7.3438 -6.4471 -6.4471 -6.4442 -6.4442 -0.8708 -0.8708 -0.8686 -0.8686 1.1578 1.1578 1.1598 1.1598 2.6810 2.6810 2.6856 2.6856 3.1006 3.1006 3.1039 3.1039 3.5656 3.5656 3.5711 3.5711 4.8530 4.8530 4.8543 4.8543 5.6272 5.6272 5.6299 5.6299 5.9055 5.9055 5.9089 5.9089 6.9652 6.9652 6.9680 6.9680 13.1629 13.1629 13.1661 13.1661 13.6538 13.6538 13.6550 13.6550 14.7007 14.7007 k =-0.3714 0.2133 0.5562 ( 13876 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.8105 -8.8105 -8.8103 -8.8103 -7.3593 -7.3593 -7.3575 -7.3575 -6.4612 -6.4612 -6.4586 -6.4586 -0.8349 -0.8349 -0.8328 -0.8328 1.1398 1.1398 1.1417 1.1417 2.7057 2.7057 2.7101 2.7101 3.1334 3.1334 3.1369 3.1369 3.5285 3.5285 3.5340 3.5340 4.8304 4.8304 4.8316 4.8316 5.6421 5.6421 5.6449 5.6449 5.9161 5.9161 5.9199 5.9199 6.9280 6.9280 6.9308 6.9308 13.1701 13.1701 13.1730 13.1730 13.6262 13.6262 13.6273 13.6273 14.6907 14.6907 k =-0.3857 0.2215 0.5562 ( 13888 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.7978 -8.7978 -8.7975 -8.7975 -7.3721 -7.3721 -7.3704 -7.3704 -6.4740 -6.4740 -6.4716 -6.4716 -0.8013 -0.8013 -0.7994 -0.7994 1.1233 1.1233 1.1250 1.1250 2.7290 2.7290 2.7332 2.7332 3.1639 3.1639 3.1674 3.1674 3.4936 3.4936 3.4990 3.4990 4.8099 4.8099 4.8110 4.8110 5.6494 5.6494 5.6522 5.6522 5.9352 5.9352 5.9392 5.9392 6.8904 6.8904 6.8933 6.8933 13.1767 13.1767 13.1794 13.1794 13.6017 13.6017 13.6026 13.6026 14.6792 14.6792 k =-0.4000 0.2297 0.5562 ( 13890 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.7860 -8.7860 -8.7858 -8.7858 -7.3839 -7.3839 -7.3824 -7.3824 -6.4853 -6.4853 -6.4832 -6.4832 -0.7706 -0.7706 -0.7688 -0.7688 1.1082 1.1082 1.1097 1.1097 2.7507 2.7507 2.7547 2.7547 3.1909 3.1909 3.1946 3.1946 3.4618 3.4618 3.4671 3.4671 4.7915 4.7915 4.7925 4.7925 5.6504 5.6504 5.6531 5.6531 5.9610 5.9610 5.9649 5.9649 6.8532 6.8532 6.8560 6.8560 13.1827 13.1827 13.1852 13.1852 13.5802 13.5802 13.5810 13.5810 14.6670 14.6670 k =-0.4143 0.2379 0.5562 ( 13892 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.7754 -8.7754 -8.7752 -8.7752 -7.3947 -7.3947 -7.3934 -7.3934 -6.4952 -6.4952 -6.4933 -6.4933 -0.7429 -0.7429 -0.7414 -0.7414 1.0948 1.0948 1.0961 1.0961 2.7708 2.7708 2.7745 2.7745 3.2134 3.2134 3.2171 3.2171 3.4345 3.4345 3.4395 3.4395 4.7754 4.7754 4.7762 4.7762 5.6474 5.6474 5.6498 5.6498 5.9909 5.9909 5.9946 5.9946 6.8169 6.8169 6.8196 6.8196 13.1881 13.1881 13.1902 13.1902 13.5617 13.5617 13.5624 13.5624 14.6548 14.6548 k =-0.4286 0.2462 0.5562 ( 13876 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.7660 -8.7660 -8.7659 -8.7659 -7.4042 -7.4042 -7.4031 -7.4031 -6.5035 -6.5035 -6.5019 -6.5019 -0.7188 -0.7188 -0.7176 -0.7176 1.0831 1.0831 1.0843 1.0843 2.7891 2.7891 2.7924 2.7924 3.2300 3.2300 3.2337 3.2337 3.4131 3.4131 3.4176 3.4176 4.7616 4.7616 4.7623 4.7623 5.6422 5.6422 5.6442 5.6442 6.0223 6.0223 6.0257 6.0257 6.7824 6.7824 6.7850 6.7850 13.1928 13.1928 13.1946 13.1946 13.5462 13.5462 13.5469 13.5469 14.6432 14.6432 k =-0.4429 0.2544 0.5562 ( 13876 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.7582 -8.7582 -8.7581 -8.7581 -7.4122 -7.4122 -7.4113 -7.4113 -6.5103 -6.5103 -6.5091 -6.5091 -0.6986 -0.6986 -0.6975 -0.6975 1.0734 1.0734 1.0743 1.0743 2.8052 2.8052 2.8081 2.8081 3.2399 3.2399 3.2433 3.2433 3.3988 3.3988 3.4025 3.4025 4.7502 4.7502 4.7507 4.7507 5.6364 5.6364 5.6380 5.6380 6.0527 6.0527 6.0556 6.0556 6.7509 6.7509 6.7532 6.7532 13.1968 13.1968 13.1982 13.1982 13.5337 13.5337 13.5342 13.5342 14.6328 14.6328 k =-0.4571 0.2626 0.5562 ( 13872 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.7519 -8.7519 -8.7518 -8.7518 -7.4186 -7.4186 -7.4179 -7.4179 -6.5156 -6.5156 -6.5147 -6.5147 -0.6824 -0.6824 -0.6816 -0.6816 1.0657 1.0657 1.0664 1.0664 2.8187 2.8187 2.8210 2.8210 3.2434 3.2434 3.2462 3.2462 3.3915 3.3915 3.3943 3.3943 4.7412 4.7412 4.7416 4.7416 5.6310 5.6310 5.6322 5.6322 6.0799 6.0799 6.0823 6.0823 6.7237 6.7237 6.7256 6.7256 13.1999 13.1999 13.2010 13.2010 13.5241 13.5241 13.5244 13.5244 14.6242 14.6242 k =-0.4714 0.2708 0.5562 ( 13888 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.7474 -8.7474 -8.7473 -8.7473 -7.4232 -7.4232 -7.4227 -7.4227 -6.5193 -6.5193 -6.5187 -6.5187 -0.6707 -0.6707 -0.6702 -0.6702 1.0602 1.0602 1.0606 1.0606 2.8290 2.8290 2.8307 2.8307 3.2428 3.2428 3.2448 3.2448 3.3893 3.3893 3.3911 3.3911 4.7347 4.7347 4.7350 4.7350 5.6267 5.6267 5.6275 5.6275 6.1017 6.1017 6.1034 6.1034 6.7025 6.7025 6.7039 6.7039 13.2022 13.2022 13.2030 13.2030 13.5172 13.5172 13.5175 13.5175 14.6179 14.6179 k =-0.4857 0.2790 0.5562 ( 13888 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.7446 -8.7446 -8.7446 -8.7446 -7.4259 -7.4259 -7.4257 -7.4257 -6.5215 -6.5215 -6.5212 -6.5212 -0.6635 -0.6635 -0.6632 -0.6632 1.0568 1.0568 1.0571 1.0571 2.8357 2.8357 2.8366 2.8366 3.2412 3.2412 3.2422 3.2422 3.3895 3.3895 3.3903 3.3903 4.7309 4.7309 4.7310 4.7310 5.6241 5.6241 5.6245 5.6245 6.1160 6.1160 6.1169 6.1169 6.6890 6.6890 6.6897 6.6897 13.2037 13.2037 13.2041 13.2041 13.5132 13.5132 13.5133 13.5133 14.6140 14.6140 k =-0.5000 0.2872 0.5562 ( 13900 PWs) bands (ev): -36.1551 -36.1551 -36.1551 -36.1551 -8.7437 -8.7437 -8.7437 -8.7437 -7.4268 -7.4268 -7.4268 -7.4268 -6.5221 -6.5221 -6.5221 -6.5221 -0.6610 -0.6610 -0.6610 -0.6610 1.0558 1.0558 1.0558 1.0558 2.8383 2.8383 2.8383 2.8383 3.2407 3.2407 3.2407 3.2407 3.3900 3.3900 3.3900 3.3900 4.7296 4.7296 4.7296 4.7296 5.6233 5.6233 5.6233 5.6233 6.1212 6.1212 6.1212 6.1212 6.6846 6.6846 6.6846 6.6846 13.2043 13.2043 13.2043 13.2043 13.5119 13.5119 13.5119 13.5119 14.6129 14.6129 Writing output data file LiSi2N3.save init_run : 3.23s CPU 13.96s WALL ( 1 calls) electrons : 1845.39s CPU 1865.06s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.30s CPU 1.63s WALL ( 1 calls) Called by electrons: c_bands : 1845.37s CPU 1864.70s WALL ( 1 calls) v_of_rho : 0.16s CPU 1.13s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.14s CPU 0.63s WALL ( 1 calls) newd : 0.65s CPU 0.68s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.40s CPU 0.58s WALL ( 374 calls) cegterg : 1660.99s CPU 1674.93s WALL ( 849 calls) Called by sum_band: Called by *egterg: h_psi : 940.49s CPU 953.26s WALL ( 14710 calls) s_psi : 109.45s CPU 109.72s WALL ( 14710 calls) g_psi : 2.79s CPU 2.77s WALL ( 13487 calls) cdiaghg : 399.94s CPU 396.88s WALL ( 13861 calls) cegterg:over : 145.08s CPU 142.01s WALL ( 13487 calls) cegterg:upda : 62.22s CPU 66.59s WALL ( 13487 calls) cegterg:last : 41.88s CPU 42.65s WALL ( 1973 calls) Called by h_psi: h_psi:vloc : 707.29s CPU 715.02s WALL ( 14710 calls) h_psi:vnl : 231.21s CPU 235.22s WALL ( 14710 calls) add_vuspsi : 92.54s CPU 98.24s WALL ( 14710 calls) General routines calbec : 138.58s CPU 136.81s WALL ( 14710 calls) fft : 0.43s CPU 1.40s WALL ( 15 calls) fftw : 659.36s CPU 664.66s WALL ( 1601056 calls) davcio : 0.04s CPU 4.32s WALL ( 748 calls) Parallel routines fft_scatter : 292.24s CPU 292.24s WALL ( 1601071 calls) PWSCF : 32m57.33s CPU 37m46.42s WALL This run was terminated on: 6:33:59 29Dec2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=