Program PWSCF v.5.1.1 starts on 21Jul2015 at 6: 1: 9 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: ./CaSi.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized 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 39 26 7 1017 554 87 Max 40 27 8 1020 567 92 Sum 1891 1281 373 48889 27011 4345 bravais-lattice index = 14 lattice parameter (alat) = 10.9869 a.u. unit-cell volume = 638.7426 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.986906 celldm(2)= 1.000000 celldm(3)= 0.668539 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.693560 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.693560 0.720399 0.000000 ) a(3) = ( 0.000000 0.000000 0.668539 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.962745 -0.000000 ) b(2) = ( 0.000000 1.388120 -0.000000 ) b(3) = ( 0.000000 0.000000 1.495799 ) PseudoPot. # 1 for Ca read from file: /home/autes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 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. # 2 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: fdd4f0c14d34ff7e95251eb8672b2767 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, 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 Ca 10.00 40.07800 Ca( 1.00) Si 4.00 28.08550 Si( 1.00) 4 Sym. Ops., with inversion, found ( 2 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 ) ( 0.3342695 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3342695 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 408 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 2) = ( 0.0072009 0.0169283 -0.0000000), wk = 0.0024510 k( 3) = ( 0.0144018 0.0338566 -0.0000000), wk = 0.0024510 k( 4) = ( 0.0216026 0.0507849 -0.0000000), wk = 0.0024510 k( 5) = ( 0.0288035 0.0677132 -0.0000000), wk = 0.0024510 k( 6) = ( 0.0360044 0.0846415 -0.0000000), wk = 0.0024510 k( 7) = ( 0.0432053 0.1015698 -0.0000000), wk = 0.0024510 k( 8) = ( 0.0504061 0.1184981 -0.0000000), wk = 0.0024510 k( 9) = ( 0.0576070 0.1354264 -0.0000000), wk = 0.0024510 k( 10) = ( 0.0648079 0.1523547 -0.0000000), wk = 0.0024510 k( 11) = ( 0.0720088 0.1692830 -0.0000000), wk = 0.0024510 k( 12) = ( 0.0792097 0.1862113 -0.0000000), wk = 0.0024510 k( 13) = ( 0.0864105 0.2031396 -0.0000000), wk = 0.0024510 k( 14) = ( 0.0936114 0.2200679 -0.0000000), wk = 0.0024510 k( 15) = ( 0.1008123 0.2369962 -0.0000000), wk = 0.0024510 k( 16) = ( 0.1080132 0.2539245 -0.0000000), wk = 0.0024510 k( 17) = ( 0.1152141 0.2708528 -0.0000000), wk = 0.0024510 k( 18) = ( 0.1224149 0.2877811 -0.0000000), wk = 0.0024510 k( 19) = ( 0.1296158 0.3047094 -0.0000000), wk = 0.0024510 k( 20) = ( 0.1368167 0.3216377 -0.0000000), wk = 0.0024510 k( 21) = ( 0.1440176 0.3385660 -0.0000000), wk = 0.0024510 k( 22) = ( 0.1512185 0.3554943 -0.0000000), wk = 0.0024510 k( 23) = ( 0.1584193 0.3724226 -0.0000000), wk = 0.0024510 k( 24) = ( 0.1656202 0.3893509 -0.0000000), wk = 0.0024510 k( 25) = ( 0.1728211 0.4062792 -0.0000000), wk = 0.0024510 k( 26) = ( 0.1800220 0.4232074 -0.0000000), wk = 0.0024510 k( 27) = ( 0.1872228 0.4401357 -0.0000000), wk = 0.0024510 k( 28) = ( 0.1944237 0.4570640 -0.0000000), wk = 0.0024510 k( 29) = ( 0.2016246 0.4739923 -0.0000000), wk = 0.0024510 k( 30) = ( 0.2088255 0.4909206 -0.0000000), wk = 0.0024510 k( 31) = ( 0.2160264 0.5078489 -0.0000000), wk = 0.0024510 k( 32) = ( 0.2232272 0.5247772 -0.0000000), wk = 0.0024510 k( 33) = ( 0.2304281 0.5417055 -0.0000000), wk = 0.0024510 k( 34) = ( 0.2376290 0.5586338 -0.0000000), wk = 0.0024510 k( 35) = ( 0.2448299 0.5755621 -0.0000000), wk = 0.0024510 k( 36) = ( 0.2520308 0.5924904 -0.0000000), wk = 0.0024510 k( 37) = ( 0.2592316 0.6094187 -0.0000000), wk = 0.0024510 k( 38) = ( 0.2664325 0.6263470 -0.0000000), wk = 0.0024510 k( 39) = ( 0.2736334 0.6432753 -0.0000000), wk = 0.0024510 k( 40) = ( 0.2808343 0.6602036 -0.0000000), wk = 0.0024510 k( 41) = ( 0.2880351 0.6771319 -0.0000000), wk = 0.0024510 k( 42) = ( 0.2952360 0.6940602 -0.0000000), wk = 0.0024510 k( 43) = ( 0.2952360 0.6940602 -0.0000000), wk = 0.0024510 k( 44) = ( 0.2767838 0.6940602 -0.0000000), wk = 0.0024510 k( 45) = ( 0.2583315 0.6940602 -0.0000000), wk = 0.0024510 k( 46) = ( 0.2398793 0.6940602 -0.0000000), wk = 0.0024510 k( 47) = ( 0.2214270 0.6940602 -0.0000000), wk = 0.0024510 k( 48) = ( 0.2029748 0.6940602 -0.0000000), wk = 0.0024510 k( 49) = ( 0.1845225 0.6940602 -0.0000000), wk = 0.0024510 k( 50) = ( 0.1660703 0.6940602 -0.0000000), wk = 0.0024510 k( 51) = ( 0.1476180 0.6940602 -0.0000000), wk = 0.0024510 k( 52) = ( 0.1291658 0.6940602 -0.0000000), wk = 0.0024510 k( 53) = ( 0.1107135 0.6940602 -0.0000000), wk = 0.0024510 k( 54) = ( 0.0922613 0.6940602 -0.0000000), wk = 0.0024510 k( 55) = ( 0.0738090 0.6940602 -0.0000000), wk = 0.0024510 k( 56) = ( 0.0553568 0.6940602 -0.0000000), wk = 0.0024510 k( 57) = ( 0.0369045 0.6940602 -0.0000000), wk = 0.0024510 k( 58) = ( 0.0184522 0.6940602 -0.0000000), wk = 0.0024510 k( 59) = ( 0.0000000 0.6940602 -0.0000000), wk = 0.0024510 k( 60) = ( 0.0000000 0.6940602 -0.0000000), wk = 0.0024510 k( 61) = ( 0.0000000 0.6940602 0.0182414), wk = 0.0024510 k( 62) = ( 0.0000000 0.6940602 0.0364829), wk = 0.0024510 k( 63) = ( 0.0000000 0.6940602 0.0547244), wk = 0.0024510 k( 64) = ( 0.0000000 0.6940602 0.0729658), wk = 0.0024510 k( 65) = ( 0.0000000 0.6940602 0.0912072), wk = 0.0024510 k( 66) = ( 0.0000000 0.6940602 0.1094487), wk = 0.0024510 k( 67) = ( 0.0000000 0.6940602 0.1276901), wk = 0.0024510 k( 68) = ( 0.0000000 0.6940602 0.1459316), wk = 0.0024510 k( 69) = ( 0.0000000 0.6940602 0.1641730), wk = 0.0024510 k( 70) = ( 0.0000000 0.6940602 0.1824145), wk = 0.0024510 k( 71) = ( 0.0000000 0.6940602 0.2006559), wk = 0.0024510 k( 72) = ( 0.0000000 0.6940602 0.2188974), wk = 0.0024510 k( 73) = ( 0.0000000 0.6940602 0.2371389), wk = 0.0024510 k( 74) = ( 0.0000000 0.6940602 0.2553803), wk = 0.0024510 k( 75) = ( 0.0000000 0.6940602 0.2736217), wk = 0.0024510 k( 76) = ( 0.0000000 0.6940602 0.2918632), wk = 0.0024510 k( 77) = ( 0.0000000 0.6940602 0.3101046), wk = 0.0024510 k( 78) = ( 0.0000000 0.6940602 0.3283461), wk = 0.0024510 k( 79) = ( 0.0000000 0.6940602 0.3465875), wk = 0.0024510 k( 80) = ( 0.0000000 0.6940602 0.3648290), wk = 0.0024510 k( 81) = ( 0.0000000 0.6940602 0.3830704), wk = 0.0024510 k( 82) = ( 0.0000000 0.6940602 0.4013119), wk = 0.0024510 k( 83) = ( 0.0000000 0.6940602 0.4195533), wk = 0.0024510 k( 84) = ( 0.0000000 0.6940602 0.4377948), wk = 0.0024510 k( 85) = ( 0.0000000 0.6940602 0.4560362), wk = 0.0024510 k( 86) = ( 0.0000000 0.6940602 0.4742777), wk = 0.0024510 k( 87) = ( 0.0000000 0.6940602 0.4925191), wk = 0.0024510 k( 88) = ( 0.0000000 0.6940602 0.5107606), wk = 0.0024510 k( 89) = ( 0.0000000 0.6940602 0.5290020), wk = 0.0024510 k( 90) = ( 0.0000000 0.6940602 0.5472435), wk = 0.0024510 k( 91) = ( 0.0000000 0.6940602 0.5654849), wk = 0.0024510 k( 92) = ( 0.0000000 0.6940602 0.5837264), wk = 0.0024510 k( 93) = ( 0.0000000 0.6940602 0.6019678), wk = 0.0024510 k( 94) = ( 0.0000000 0.6940602 0.6202093), wk = 0.0024510 k( 95) = ( 0.0000000 0.6940602 0.6384507), wk = 0.0024510 k( 96) = ( 0.0000000 0.6940602 0.6566922), wk = 0.0024510 k( 97) = ( 0.0000000 0.6940602 0.6749336), wk = 0.0024510 k( 98) = ( 0.0000000 0.6940602 0.6931751), wk = 0.0024510 k( 99) = ( 0.0000000 0.6940602 0.7114165), wk = 0.0024510 k( 100) = ( 0.0000000 0.6940602 0.7296580), wk = 0.0024510 k( 101) = ( 0.0000000 0.6940602 0.7478994), wk = 0.0024510 k( 102) = ( 0.0000000 0.6940602 0.7478994), wk = 0.0024510 k( 103) = ( 0.0184522 0.6940602 0.7478994), wk = 0.0024510 k( 104) = ( 0.0369045 0.6940602 0.7478994), wk = 0.0024510 k( 105) = ( 0.0553568 0.6940602 0.7478994), wk = 0.0024510 k( 106) = ( 0.0738090 0.6940602 0.7478994), wk = 0.0024510 k( 107) = ( 0.0922613 0.6940602 0.7478994), wk = 0.0024510 k( 108) = ( 0.1107135 0.6940602 0.7478994), wk = 0.0024510 k( 109) = ( 0.1291658 0.6940602 0.7478994), wk = 0.0024510 k( 110) = ( 0.1476180 0.6940602 0.7478994), wk = 0.0024510 k( 111) = ( 0.1660703 0.6940602 0.7478994), wk = 0.0024510 k( 112) = ( 0.1845225 0.6940602 0.7478994), wk = 0.0024510 k( 113) = ( 0.2029748 0.6940602 0.7478994), wk = 0.0024510 k( 114) = ( 0.2214270 0.6940602 0.7478994), wk = 0.0024510 k( 115) = ( 0.2398793 0.6940602 0.7478994), wk = 0.0024510 k( 116) = ( 0.2583315 0.6940602 0.7478994), wk = 0.0024510 k( 117) = ( 0.2767838 0.6940602 0.7478994), wk = 0.0024510 k( 118) = ( 0.2952360 0.6940602 0.7478994), wk = 0.0024510 k( 119) = ( 0.2952360 0.6940602 0.7478994), wk = 0.0024510 k( 120) = ( 0.2880351 0.6771319 0.7478994), wk = 0.0024510 k( 121) = ( 0.2808343 0.6602036 0.7478994), wk = 0.0024510 k( 122) = ( 0.2736334 0.6432753 0.7478994), wk = 0.0024510 k( 123) = ( 0.2664325 0.6263470 0.7478994), wk = 0.0024510 k( 124) = ( 0.2592316 0.6094187 0.7478994), wk = 0.0024510 k( 125) = ( 0.2520308 0.5924904 0.7478994), wk = 0.0024510 k( 126) = ( 0.2448299 0.5755621 0.7478994), wk = 0.0024510 k( 127) = ( 0.2376290 0.5586338 0.7478994), wk = 0.0024510 k( 128) = ( 0.2304281 0.5417055 0.7478994), wk = 0.0024510 k( 129) = ( 0.2232272 0.5247772 0.7478994), wk = 0.0024510 k( 130) = ( 0.2160264 0.5078489 0.7478994), wk = 0.0024510 k( 131) = ( 0.2088255 0.4909206 0.7478994), wk = 0.0024510 k( 132) = ( 0.2016246 0.4739923 0.7478994), wk = 0.0024510 k( 133) = ( 0.1944237 0.4570640 0.7478994), wk = 0.0024510 k( 134) = ( 0.1872228 0.4401357 0.7478994), wk = 0.0024510 k( 135) = ( 0.1800220 0.4232074 0.7478994), wk = 0.0024510 k( 136) = ( 0.1728211 0.4062792 0.7478994), wk = 0.0024510 k( 137) = ( 0.1656202 0.3893509 0.7478994), wk = 0.0024510 k( 138) = ( 0.1584193 0.3724226 0.7478994), wk = 0.0024510 k( 139) = ( 0.1512185 0.3554943 0.7478994), wk = 0.0024510 k( 140) = ( 0.1440176 0.3385660 0.7478994), wk = 0.0024510 k( 141) = ( 0.1368167 0.3216377 0.7478994), wk = 0.0024510 k( 142) = ( 0.1296158 0.3047094 0.7478994), wk = 0.0024510 k( 143) = ( 0.1224149 0.2877811 0.7478994), wk = 0.0024510 k( 144) = ( 0.1152141 0.2708528 0.7478994), wk = 0.0024510 k( 145) = ( 0.1080132 0.2539245 0.7478994), wk = 0.0024510 k( 146) = ( 0.1008123 0.2369962 0.7478994), wk = 0.0024510 k( 147) = ( 0.0936114 0.2200679 0.7478994), wk = 0.0024510 k( 148) = ( 0.0864105 0.2031396 0.7478994), wk = 0.0024510 k( 149) = ( 0.0792097 0.1862113 0.7478994), wk = 0.0024510 k( 150) = ( 0.0720088 0.1692830 0.7478994), wk = 0.0024510 k( 151) = ( 0.0648079 0.1523547 0.7478994), wk = 0.0024510 k( 152) = ( 0.0576070 0.1354264 0.7478994), wk = 0.0024510 k( 153) = ( 0.0504061 0.1184981 0.7478994), wk = 0.0024510 k( 154) = ( 0.0432053 0.1015698 0.7478994), wk = 0.0024510 k( 155) = ( 0.0360044 0.0846415 0.7478994), wk = 0.0024510 k( 156) = ( 0.0288035 0.0677132 0.7478994), wk = 0.0024510 k( 157) = ( 0.0216026 0.0507849 0.7478994), wk = 0.0024510 k( 158) = ( 0.0144018 0.0338566 0.7478994), wk = 0.0024510 k( 159) = ( 0.0072009 0.0169283 0.7478994), wk = 0.0024510 k( 160) = ( 0.0000000 0.0000000 0.7478994), wk = 0.0024510 k( 161) = ( 0.0000000 0.0000000 0.7478994), wk = 0.0024510 k( 162) = ( 0.0000000 0.0000000 0.7296580), wk = 0.0024510 k( 163) = ( 0.0000000 0.0000000 0.7114165), wk = 0.0024510 k( 164) = ( 0.0000000 0.0000000 0.6931751), wk = 0.0024510 k( 165) = ( 0.0000000 0.0000000 0.6749336), wk = 0.0024510 k( 166) = ( 0.0000000 0.0000000 0.6566922), wk = 0.0024510 k( 167) = ( 0.0000000 0.0000000 0.6384507), wk = 0.0024510 k( 168) = ( 0.0000000 0.0000000 0.6202093), wk = 0.0024510 k( 169) = ( 0.0000000 0.0000000 0.6019678), wk = 0.0024510 k( 170) = ( 0.0000000 0.0000000 0.5837264), wk = 0.0024510 k( 171) = ( 0.0000000 0.0000000 0.5654849), wk = 0.0024510 k( 172) = ( 0.0000000 0.0000000 0.5472435), wk = 0.0024510 k( 173) = ( 0.0000000 0.0000000 0.5290020), wk = 0.0024510 k( 174) = ( 0.0000000 0.0000000 0.5107606), wk = 0.0024510 k( 175) = ( 0.0000000 0.0000000 0.4925191), wk = 0.0024510 k( 176) = ( 0.0000000 0.0000000 0.4742777), wk = 0.0024510 k( 177) = ( 0.0000000 0.0000000 0.4560362), wk = 0.0024510 k( 178) = ( 0.0000000 0.0000000 0.4377948), wk = 0.0024510 k( 179) = ( 0.0000000 0.0000000 0.4195533), wk = 0.0024510 k( 180) = ( 0.0000000 0.0000000 0.4013119), wk = 0.0024510 k( 181) = ( 0.0000000 0.0000000 0.3830704), wk = 0.0024510 k( 182) = ( 0.0000000 0.0000000 0.3648290), wk = 0.0024510 k( 183) = ( 0.0000000 0.0000000 0.3465875), wk = 0.0024510 k( 184) = ( 0.0000000 0.0000000 0.3283461), wk = 0.0024510 k( 185) = ( 0.0000000 0.0000000 0.3101046), wk = 0.0024510 k( 186) = ( 0.0000000 0.0000000 0.2918632), wk = 0.0024510 k( 187) = ( 0.0000000 0.0000000 0.2736217), wk = 0.0024510 k( 188) = ( 0.0000000 0.0000000 0.2553803), wk = 0.0024510 k( 189) = ( 0.0000000 0.0000000 0.2371389), wk = 0.0024510 k( 190) = ( 0.0000000 0.0000000 0.2188974), wk = 0.0024510 k( 191) = ( 0.0000000 0.0000000 0.2006559), wk = 0.0024510 k( 192) = ( 0.0000000 0.0000000 0.1824145), wk = 0.0024510 k( 193) = ( 0.0000000 0.0000000 0.1641730), wk = 0.0024510 k( 194) = ( 0.0000000 0.0000000 0.1459316), wk = 0.0024510 k( 195) = ( 0.0000000 0.0000000 0.1276901), wk = 0.0024510 k( 196) = ( 0.0000000 0.0000000 0.1094487), wk = 0.0024510 k( 197) = ( 0.0000000 0.0000000 0.0912072), wk = 0.0024510 k( 198) = ( 0.0000000 0.0000000 0.0729658), wk = 0.0024510 k( 199) = ( 0.0000000 0.0000000 0.0547244), wk = 0.0024510 k( 200) = ( 0.0000000 0.0000000 0.0364829), wk = 0.0024510 k( 201) = ( 0.0000000 0.0000000 0.0182414), wk = 0.0024510 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 203) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 204) = ( -0.0166667 0.0070896 -0.0000000), wk = 0.0024510 k( 205) = ( -0.0333333 0.0141792 -0.0000000), wk = 0.0024510 k( 206) = ( -0.0500000 0.0212688 -0.0000000), wk = 0.0024510 k( 207) = ( -0.0666667 0.0283583 -0.0000000), wk = 0.0024510 k( 208) = ( -0.0833333 0.0354479 -0.0000000), wk = 0.0024510 k( 209) = ( -0.1000000 0.0425375 -0.0000000), wk = 0.0024510 k( 210) = ( -0.1166667 0.0496271 -0.0000000), wk = 0.0024510 k( 211) = ( -0.1333333 0.0567167 -0.0000000), wk = 0.0024510 k( 212) = ( -0.1500000 0.0638063 -0.0000000), wk = 0.0024510 k( 213) = ( -0.1666667 0.0708959 -0.0000000), wk = 0.0024510 k( 214) = ( -0.1833333 0.0779855 0.0000000), wk = 0.0024510 k( 215) = ( -0.2000000 0.0850750 -0.0000000), wk = 0.0024510 k( 216) = ( -0.2166667 0.0921646 -0.0000000), wk = 0.0024510 k( 217) = ( -0.2333333 0.0992542 -0.0000000), wk = 0.0024510 k( 218) = ( -0.2500000 0.1063438 -0.0000000), wk = 0.0024510 k( 219) = ( -0.2666667 0.1134334 -0.0000000), wk = 0.0024510 k( 220) = ( -0.2833333 0.1205230 -0.0000000), wk = 0.0024510 k( 221) = ( -0.3000000 0.1276126 -0.0000000), wk = 0.0024510 k( 222) = ( -0.3166667 0.1347022 -0.0000000), wk = 0.0024510 k( 223) = ( -0.3333333 0.1417917 -0.0000000), wk = 0.0024510 k( 224) = ( -0.3500000 0.1488813 -0.0000000), wk = 0.0024510 k( 225) = ( -0.3666667 0.1559709 0.0000000), wk = 0.0024510 k( 226) = ( -0.3833333 0.1630605 -0.0000000), wk = 0.0024510 k( 227) = ( -0.4000000 0.1701501 -0.0000000), wk = 0.0024510 k( 228) = ( -0.4166667 0.1772397 -0.0000000), wk = 0.0024510 k( 229) = ( -0.4333333 0.1843293 -0.0000000), wk = 0.0024510 k( 230) = ( -0.4500000 0.1914189 -0.0000000), wk = 0.0024510 k( 231) = ( -0.4666667 0.1985084 -0.0000000), wk = 0.0024510 k( 232) = ( -0.4833333 0.2055980 -0.0000000), wk = 0.0024510 k( 233) = ( -0.5000000 0.2126876 -0.0000000), wk = 0.0024510 k( 234) = ( -0.5000000 0.2126876 -0.0000000), wk = 0.0024510 k( 235) = ( -0.4929392 0.2292867 -0.0000000), wk = 0.0024510 k( 236) = ( -0.4858784 0.2458857 -0.0000000), wk = 0.0024510 k( 237) = ( -0.4788175 0.2624848 -0.0000000), wk = 0.0024510 k( 238) = ( -0.4717567 0.2790838 -0.0000000), wk = 0.0024510 k( 239) = ( -0.4646959 0.2956829 -0.0000000), wk = 0.0024510 k( 240) = ( -0.4576350 0.3122819 -0.0000000), wk = 0.0024510 k( 241) = ( -0.4505742 0.3288810 -0.0000000), wk = 0.0024510 k( 242) = ( -0.4435134 0.3454800 -0.0000000), wk = 0.0024510 k( 243) = ( -0.4364526 0.3620791 -0.0000000), wk = 0.0024510 k( 244) = ( -0.4293917 0.3786782 -0.0000000), wk = 0.0024510 k( 245) = ( -0.4223309 0.3952772 -0.0000000), wk = 0.0024510 k( 246) = ( -0.4152701 0.4118763 -0.0000000), wk = 0.0024510 k( 247) = ( -0.4082093 0.4284753 -0.0000000), wk = 0.0024510 k( 248) = ( -0.4011484 0.4450744 -0.0000000), wk = 0.0024510 k( 249) = ( -0.3940876 0.4616734 -0.0000000), wk = 0.0024510 k( 250) = ( -0.3870268 0.4782725 -0.0000000), wk = 0.0024510 k( 251) = ( -0.3799659 0.4948716 -0.0000000), wk = 0.0024510 k( 252) = ( -0.3729051 0.5114706 -0.0000000), wk = 0.0024510 k( 253) = ( -0.3658443 0.5280697 -0.0000000), wk = 0.0024510 k( 254) = ( -0.3587835 0.5446687 -0.0000000), wk = 0.0024510 k( 255) = ( -0.3517226 0.5612678 -0.0000000), wk = 0.0024510 k( 256) = ( -0.3446618 0.5778668 -0.0000000), wk = 0.0024510 k( 257) = ( -0.3376010 0.5944659 -0.0000000), wk = 0.0024510 k( 258) = ( -0.3305402 0.6110649 -0.0000000), wk = 0.0024510 k( 259) = ( -0.3234793 0.6276640 -0.0000000), wk = 0.0024510 k( 260) = ( -0.3164185 0.6442631 -0.0000000), wk = 0.0024510 k( 261) = ( -0.3093577 0.6608621 -0.0000000), wk = 0.0024510 k( 262) = ( -0.3022969 0.6774612 -0.0000000), wk = 0.0024510 k( 263) = ( -0.2952360 0.6940602 -0.0000000), wk = 0.0024510 k( 264) = ( -0.2952360 0.6940602 -0.0000000), wk = 0.0024510 k( 265) = ( -0.2952360 0.6940602 0.0182414), wk = 0.0024510 k( 266) = ( -0.2952360 0.6940602 0.0364829), wk = 0.0024510 k( 267) = ( -0.2952360 0.6940602 0.0547244), wk = 0.0024510 k( 268) = ( -0.2952360 0.6940602 0.0729658), wk = 0.0024510 k( 269) = ( -0.2952360 0.6940602 0.0912072), wk = 0.0024510 k( 270) = ( -0.2952360 0.6940602 0.1094487), wk = 0.0024510 k( 271) = ( -0.2952360 0.6940602 0.1276901), wk = 0.0024510 k( 272) = ( -0.2952360 0.6940602 0.1459316), wk = 0.0024510 k( 273) = ( -0.2952360 0.6940602 0.1641730), wk = 0.0024510 k( 274) = ( -0.2952360 0.6940602 0.1824145), wk = 0.0024510 k( 275) = ( -0.2952360 0.6940602 0.2006559), wk = 0.0024510 k( 276) = ( -0.2952360 0.6940602 0.2188974), wk = 0.0024510 k( 277) = ( -0.2952360 0.6940602 0.2371389), wk = 0.0024510 k( 278) = ( -0.2952360 0.6940602 0.2553803), wk = 0.0024510 k( 279) = ( -0.2952360 0.6940602 0.2736217), wk = 0.0024510 k( 280) = ( -0.2952360 0.6940602 0.2918632), wk = 0.0024510 k( 281) = ( -0.2952360 0.6940602 0.3101046), wk = 0.0024510 k( 282) = ( -0.2952360 0.6940602 0.3283461), wk = 0.0024510 k( 283) = ( -0.2952360 0.6940602 0.3465875), wk = 0.0024510 k( 284) = ( -0.2952360 0.6940602 0.3648290), wk = 0.0024510 k( 285) = ( -0.2952360 0.6940602 0.3830704), wk = 0.0024510 k( 286) = ( -0.2952360 0.6940602 0.4013119), wk = 0.0024510 k( 287) = ( -0.2952360 0.6940602 0.4195533), wk = 0.0024510 k( 288) = ( -0.2952360 0.6940602 0.4377948), wk = 0.0024510 k( 289) = ( -0.2952360 0.6940602 0.4560362), wk = 0.0024510 k( 290) = ( -0.2952360 0.6940602 0.4742777), wk = 0.0024510 k( 291) = ( -0.2952360 0.6940602 0.4925191), wk = 0.0024510 k( 292) = ( -0.2952360 0.6940602 0.5107606), wk = 0.0024510 k( 293) = ( -0.2952360 0.6940602 0.5290020), wk = 0.0024510 k( 294) = ( -0.2952360 0.6940602 0.5472435), wk = 0.0024510 k( 295) = ( -0.2952360 0.6940602 0.5654849), wk = 0.0024510 k( 296) = ( -0.2952360 0.6940602 0.5837264), wk = 0.0024510 k( 297) = ( -0.2952360 0.6940602 0.6019678), wk = 0.0024510 k( 298) = ( -0.2952360 0.6940602 0.6202093), wk = 0.0024510 k( 299) = ( -0.2952360 0.6940602 0.6384507), wk = 0.0024510 k( 300) = ( -0.2952360 0.6940602 0.6566922), wk = 0.0024510 k( 301) = ( -0.2952360 0.6940602 0.6749336), wk = 0.0024510 k( 302) = ( -0.2952360 0.6940602 0.6931751), wk = 0.0024510 k( 303) = ( -0.2952360 0.6940602 0.7114165), wk = 0.0024510 k( 304) = ( -0.2952360 0.6940602 0.7296580), wk = 0.0024510 k( 305) = ( -0.2952360 0.6940602 0.7478994), wk = 0.0024510 k( 306) = ( -0.2952360 0.6940602 0.7478994), wk = 0.0024510 k( 307) = ( -0.3022969 0.6774612 0.7478994), wk = 0.0024510 k( 308) = ( -0.3093577 0.6608621 0.7478994), wk = 0.0024510 k( 309) = ( -0.3164185 0.6442631 0.7478994), wk = 0.0024510 k( 310) = ( -0.3234793 0.6276640 0.7478994), wk = 0.0024510 k( 311) = ( -0.3305402 0.6110649 0.7478994), wk = 0.0024510 k( 312) = ( -0.3376010 0.5944659 0.7478994), wk = 0.0024510 k( 313) = ( -0.3446618 0.5778668 0.7478994), wk = 0.0024510 k( 314) = ( -0.3517226 0.5612678 0.7478994), wk = 0.0024510 k( 315) = ( -0.3587835 0.5446687 0.7478994), wk = 0.0024510 k( 316) = ( -0.3658443 0.5280697 0.7478994), wk = 0.0024510 k( 317) = ( -0.3729051 0.5114706 0.7478994), wk = 0.0024510 k( 318) = ( -0.3799659 0.4948716 0.7478994), wk = 0.0024510 k( 319) = ( -0.3870268 0.4782725 0.7478994), wk = 0.0024510 k( 320) = ( -0.3940876 0.4616734 0.7478994), wk = 0.0024510 k( 321) = ( -0.4011484 0.4450744 0.7478994), wk = 0.0024510 k( 322) = ( -0.4082093 0.4284753 0.7478994), wk = 0.0024510 k( 323) = ( -0.4152701 0.4118763 0.7478994), wk = 0.0024510 k( 324) = ( -0.4223309 0.3952772 0.7478994), wk = 0.0024510 k( 325) = ( -0.4293917 0.3786782 0.7478994), wk = 0.0024510 k( 326) = ( -0.4364526 0.3620791 0.7478994), wk = 0.0024510 k( 327) = ( -0.4435134 0.3454800 0.7478994), wk = 0.0024510 k( 328) = ( -0.4505742 0.3288810 0.7478994), wk = 0.0024510 k( 329) = ( -0.4576350 0.3122819 0.7478994), wk = 0.0024510 k( 330) = ( -0.4646959 0.2956829 0.7478994), wk = 0.0024510 k( 331) = ( -0.4717567 0.2790838 0.7478994), wk = 0.0024510 k( 332) = ( -0.4788175 0.2624848 0.7478994), wk = 0.0024510 k( 333) = ( -0.4858784 0.2458857 0.7478994), wk = 0.0024510 k( 334) = ( -0.4929392 0.2292867 0.7478994), wk = 0.0024510 k( 335) = ( -0.5000000 0.2126876 0.7478994), wk = 0.0024510 k( 336) = ( -0.5000000 0.2126876 0.7478994), wk = 0.0024510 k( 337) = ( -0.5000000 0.2126876 0.7296580), wk = 0.0024510 k( 338) = ( -0.5000000 0.2126876 0.7114165), wk = 0.0024510 k( 339) = ( -0.5000000 0.2126876 0.6931751), wk = 0.0024510 k( 340) = ( -0.5000000 0.2126876 0.6749336), wk = 0.0024510 k( 341) = ( -0.5000000 0.2126876 0.6566922), wk = 0.0024510 k( 342) = ( -0.5000000 0.2126876 0.6384507), wk = 0.0024510 k( 343) = ( -0.5000000 0.2126876 0.6202093), wk = 0.0024510 k( 344) = ( -0.5000000 0.2126876 0.6019678), wk = 0.0024510 k( 345) = ( -0.5000000 0.2126876 0.5837264), wk = 0.0024510 k( 346) = ( -0.5000000 0.2126876 0.5654849), wk = 0.0024510 k( 347) = ( -0.5000000 0.2126876 0.5472435), wk = 0.0024510 k( 348) = ( -0.5000000 0.2126876 0.5290020), wk = 0.0024510 k( 349) = ( -0.5000000 0.2126876 0.5107606), wk = 0.0024510 k( 350) = ( -0.5000000 0.2126876 0.4925191), wk = 0.0024510 k( 351) = ( -0.5000000 0.2126876 0.4742777), wk = 0.0024510 k( 352) = ( -0.5000000 0.2126876 0.4560362), wk = 0.0024510 k( 353) = ( -0.5000000 0.2126876 0.4377948), wk = 0.0024510 k( 354) = ( -0.5000000 0.2126876 0.4195533), wk = 0.0024510 k( 355) = ( -0.5000000 0.2126876 0.4013119), wk = 0.0024510 k( 356) = ( -0.5000000 0.2126876 0.3830704), wk = 0.0024510 k( 357) = ( -0.5000000 0.2126876 0.3648290), wk = 0.0024510 k( 358) = ( -0.5000000 0.2126876 0.3465875), wk = 0.0024510 k( 359) = ( -0.5000000 0.2126876 0.3283461), wk = 0.0024510 k( 360) = ( -0.5000000 0.2126876 0.3101046), wk = 0.0024510 k( 361) = ( -0.5000000 0.2126876 0.2918632), wk = 0.0024510 k( 362) = ( -0.5000000 0.2126876 0.2736217), wk = 0.0024510 k( 363) = ( -0.5000000 0.2126876 0.2553803), wk = 0.0024510 k( 364) = ( -0.5000000 0.2126876 0.2371389), wk = 0.0024510 k( 365) = ( -0.5000000 0.2126876 0.2188974), wk = 0.0024510 k( 366) = ( -0.5000000 0.2126876 0.2006559), wk = 0.0024510 k( 367) = ( -0.5000000 0.2126876 0.1824145), wk = 0.0024510 k( 368) = ( -0.5000000 0.2126876 0.1641730), wk = 0.0024510 k( 369) = ( -0.5000000 0.2126876 0.1459316), wk = 0.0024510 k( 370) = ( -0.5000000 0.2126876 0.1276901), wk = 0.0024510 k( 371) = ( -0.5000000 0.2126876 0.1094487), wk = 0.0024510 k( 372) = ( -0.5000000 0.2126876 0.0912072), wk = 0.0024510 k( 373) = ( -0.5000000 0.2126876 0.0729658), wk = 0.0024510 k( 374) = ( -0.5000000 0.2126876 0.0547244), wk = 0.0024510 k( 375) = ( -0.5000000 0.2126876 0.0364829), wk = 0.0024510 k( 376) = ( -0.5000000 0.2126876 0.0182414), wk = 0.0024510 k( 377) = ( -0.5000000 0.2126876 -0.0000000), wk = 0.0024510 k( 378) = ( 0.0000000 0.0000000 0.7478994), wk = 0.0024510 k( 379) = ( -0.0166667 0.0070896 0.7478994), wk = 0.0024510 k( 380) = ( -0.0333333 0.0141792 0.7478994), wk = 0.0024510 k( 381) = ( -0.0500000 0.0212688 0.7478994), wk = 0.0024510 k( 382) = ( -0.0666667 0.0283583 0.7478994), wk = 0.0024510 k( 383) = ( -0.0833333 0.0354479 0.7478994), wk = 0.0024510 k( 384) = ( -0.1000000 0.0425375 0.7478994), wk = 0.0024510 k( 385) = ( -0.1166667 0.0496271 0.7478994), wk = 0.0024510 k( 386) = ( -0.1333333 0.0567167 0.7478994), wk = 0.0024510 k( 387) = ( -0.1500000 0.0638063 0.7478994), wk = 0.0024510 k( 388) = ( -0.1666667 0.0708959 0.7478994), wk = 0.0024510 k( 389) = ( -0.1833333 0.0779855 0.7478994), wk = 0.0024510 k( 390) = ( -0.2000000 0.0850750 0.7478994), wk = 0.0024510 k( 391) = ( -0.2166667 0.0921646 0.7478994), wk = 0.0024510 k( 392) = ( -0.2333333 0.0992542 0.7478994), wk = 0.0024510 k( 393) = ( -0.2500000 0.1063438 0.7478994), wk = 0.0024510 k( 394) = ( -0.2666667 0.1134334 0.7478994), wk = 0.0024510 k( 395) = ( -0.2833333 0.1205230 0.7478994), wk = 0.0024510 k( 396) = ( -0.3000000 0.1276126 0.7478994), wk = 0.0024510 k( 397) = ( -0.3166667 0.1347022 0.7478994), wk = 0.0024510 k( 398) = ( -0.3333333 0.1417917 0.7478994), wk = 0.0024510 k( 399) = ( -0.3500000 0.1488813 0.7478994), wk = 0.0024510 k( 400) = ( -0.3666667 0.1559709 0.7478994), wk = 0.0024510 k( 401) = ( -0.3833333 0.1630605 0.7478994), wk = 0.0024510 k( 402) = ( -0.4000000 0.1701501 0.7478994), wk = 0.0024510 k( 403) = ( -0.4166667 0.1772397 0.7478994), wk = 0.0024510 k( 404) = ( -0.4333333 0.1843293 0.7478994), wk = 0.0024510 k( 405) = ( -0.4500000 0.1914189 0.7478994), wk = 0.0024510 k( 406) = ( -0.4666667 0.1985084 0.7478994), wk = 0.0024510 k( 407) = ( -0.4833333 0.2055980 0.7478994), wk = 0.0024510 k( 408) = ( -0.5000000 0.2126876 0.7478994), wk = 0.0024510 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 2) = ( 0.0072009 0.0072009 0.0000000), wk = 0.0024510 k( 3) = ( 0.0144018 0.0144018 0.0000000), wk = 0.0024510 k( 4) = ( 0.0216026 0.0216026 0.0000000), wk = 0.0024510 k( 5) = ( 0.0288035 0.0288035 -0.0000000), wk = 0.0024510 k( 6) = ( 0.0360044 0.0360044 0.0000000), wk = 0.0024510 k( 7) = ( 0.0432053 0.0432053 -0.0000000), wk = 0.0024510 k( 8) = ( 0.0504061 0.0504061 -0.0000000), wk = 0.0024510 k( 9) = ( 0.0576070 0.0576070 0.0000000), wk = 0.0024510 k( 10) = ( 0.0648079 0.0648079 0.0000000), wk = 0.0024510 k( 11) = ( 0.0720088 0.0720088 0.0000000), wk = 0.0024510 k( 12) = ( 0.0792097 0.0792097 0.0000000), wk = 0.0024510 k( 13) = ( 0.0864105 0.0864105 -0.0000000), wk = 0.0024510 k( 14) = ( 0.0936114 0.0936114 -0.0000000), wk = 0.0024510 k( 15) = ( 0.1008123 0.1008123 -0.0000000), wk = 0.0024510 k( 16) = ( 0.1080132 0.1080132 0.0000000), wk = 0.0024510 k( 17) = ( 0.1152141 0.1152141 0.0000000), wk = 0.0024510 k( 18) = ( 0.1224149 0.1224149 -0.0000000), wk = 0.0024510 k( 19) = ( 0.1296158 0.1296158 -0.0000000), wk = 0.0024510 k( 20) = ( 0.1368167 0.1368167 0.0000000), wk = 0.0024510 k( 21) = ( 0.1440176 0.1440176 0.0000000), wk = 0.0024510 k( 22) = ( 0.1512185 0.1512185 -0.0000000), wk = 0.0024510 k( 23) = ( 0.1584193 0.1584193 0.0000000), wk = 0.0024510 k( 24) = ( 0.1656202 0.1656202 0.0000000), wk = 0.0024510 k( 25) = ( 0.1728211 0.1728211 0.0000000), wk = 0.0024510 k( 26) = ( 0.1800220 0.1800220 -0.0000000), wk = 0.0024510 k( 27) = ( 0.1872228 0.1872228 -0.0000000), wk = 0.0024510 k( 28) = ( 0.1944237 0.1944237 0.0000000), wk = 0.0024510 k( 29) = ( 0.2016246 0.2016246 -0.0000000), wk = 0.0024510 k( 30) = ( 0.2088255 0.2088255 0.0000000), wk = 0.0024510 k( 31) = ( 0.2160264 0.2160264 0.0000000), wk = 0.0024510 k( 32) = ( 0.2232272 0.2232272 0.0000000), wk = 0.0024510 k( 33) = ( 0.2304281 0.2304281 0.0000000), wk = 0.0024510 k( 34) = ( 0.2376290 0.2376290 -0.0000000), wk = 0.0024510 k( 35) = ( 0.2448299 0.2448299 -0.0000000), wk = 0.0024510 k( 36) = ( 0.2520308 0.2520307 -0.0000000), wk = 0.0024510 k( 37) = ( 0.2592316 0.2592316 0.0000000), wk = 0.0024510 k( 38) = ( 0.2664325 0.2664325 0.0000000), wk = 0.0024510 k( 39) = ( 0.2736334 0.2736334 -0.0000000), wk = 0.0024510 k( 40) = ( 0.2808343 0.2808343 0.0000000), wk = 0.0024510 k( 41) = ( 0.2880351 0.2880351 0.0000000), wk = 0.0024510 k( 42) = ( 0.2952360 0.2952360 0.0000000), wk = 0.0024510 k( 43) = ( 0.2952360 0.2952360 0.0000000), wk = 0.0024510 k( 44) = ( 0.2767838 0.3080338 0.0000000), wk = 0.0024510 k( 45) = ( 0.2583315 0.3208315 0.0000000), wk = 0.0024510 k( 46) = ( 0.2398793 0.3336293 -0.0000000), wk = 0.0024510 k( 47) = ( 0.2214270 0.3464270 0.0000000), wk = 0.0024510 k( 48) = ( 0.2029748 0.3592248 0.0000000), wk = 0.0024510 k( 49) = ( 0.1845225 0.3720225 0.0000000), wk = 0.0024510 k( 50) = ( 0.1660703 0.3848203 0.0000000), wk = 0.0024510 k( 51) = ( 0.1476180 0.3976180 0.0000000), wk = 0.0024510 k( 52) = ( 0.1291658 0.4104158 -0.0000000), wk = 0.0024510 k( 53) = ( 0.1107135 0.4232135 0.0000000), wk = 0.0024510 k( 54) = ( 0.0922613 0.4360113 0.0000000), wk = 0.0024510 k( 55) = ( 0.0738090 0.4488090 0.0000000), wk = 0.0024510 k( 56) = ( 0.0553568 0.4616068 0.0000000), wk = 0.0024510 k( 57) = ( 0.0369045 0.4744045 0.0000000), wk = 0.0024510 k( 58) = ( 0.0184522 0.4872022 -0.0000000), wk = 0.0024510 k( 59) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024510 k( 60) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024510 k( 61) = ( 0.0000000 0.5000000 0.0121951), wk = 0.0024510 k( 62) = ( 0.0000000 0.5000000 0.0243902), wk = 0.0024510 k( 63) = ( 0.0000000 0.5000000 0.0365854), wk = 0.0024510 k( 64) = ( 0.0000000 0.5000000 0.0487805), wk = 0.0024510 k( 65) = ( 0.0000000 0.5000000 0.0609756), wk = 0.0024510 k( 66) = ( 0.0000000 0.5000000 0.0731707), wk = 0.0024510 k( 67) = ( 0.0000000 0.5000000 0.0853658), wk = 0.0024510 k( 68) = ( 0.0000000 0.5000000 0.0975610), wk = 0.0024510 k( 69) = ( 0.0000000 0.5000000 0.1097561), wk = 0.0024510 k( 70) = ( 0.0000000 0.5000000 0.1219512), wk = 0.0024510 k( 71) = ( 0.0000000 0.5000000 0.1341463), wk = 0.0024510 k( 72) = ( 0.0000000 0.5000000 0.1463415), wk = 0.0024510 k( 73) = ( 0.0000000 0.5000000 0.1585366), wk = 0.0024510 k( 74) = ( 0.0000000 0.5000000 0.1707317), wk = 0.0024510 k( 75) = ( 0.0000000 0.5000000 0.1829268), wk = 0.0024510 k( 76) = ( 0.0000000 0.5000000 0.1951219), wk = 0.0024510 k( 77) = ( 0.0000000 0.5000000 0.2073171), wk = 0.0024510 k( 78) = ( 0.0000000 0.5000000 0.2195122), wk = 0.0024510 k( 79) = ( 0.0000000 0.5000000 0.2317073), wk = 0.0024510 k( 80) = ( 0.0000000 0.5000000 0.2439024), wk = 0.0024510 k( 81) = ( 0.0000000 0.5000000 0.2560976), wk = 0.0024510 k( 82) = ( 0.0000000 0.5000000 0.2682927), wk = 0.0024510 k( 83) = ( 0.0000000 0.5000000 0.2804878), wk = 0.0024510 k( 84) = ( 0.0000000 0.5000000 0.2926829), wk = 0.0024510 k( 85) = ( 0.0000000 0.5000000 0.3048781), wk = 0.0024510 k( 86) = ( 0.0000000 0.5000000 0.3170732), wk = 0.0024510 k( 87) = ( 0.0000000 0.5000000 0.3292683), wk = 0.0024510 k( 88) = ( 0.0000000 0.5000000 0.3414634), wk = 0.0024510 k( 89) = ( 0.0000000 0.5000000 0.3536585), wk = 0.0024510 k( 90) = ( 0.0000000 0.5000000 0.3658537), wk = 0.0024510 k( 91) = ( 0.0000000 0.5000000 0.3780488), wk = 0.0024510 k( 92) = ( 0.0000000 0.5000000 0.3902439), wk = 0.0024510 k( 93) = ( 0.0000000 0.5000000 0.4024390), wk = 0.0024510 k( 94) = ( 0.0000000 0.5000000 0.4146342), wk = 0.0024510 k( 95) = ( 0.0000000 0.5000000 0.4268293), wk = 0.0024510 k( 96) = ( 0.0000000 0.5000000 0.4390244), wk = 0.0024510 k( 97) = ( 0.0000000 0.5000000 0.4512195), wk = 0.0024510 k( 98) = ( 0.0000000 0.5000000 0.4634146), wk = 0.0024510 k( 99) = ( 0.0000000 0.5000000 0.4756098), wk = 0.0024510 k( 100) = ( 0.0000000 0.5000000 0.4878049), wk = 0.0024510 k( 101) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024510 k( 102) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024510 k( 103) = ( 0.0184522 0.4872022 0.5000000), wk = 0.0024510 k( 104) = ( 0.0369045 0.4744045 0.5000000), wk = 0.0024510 k( 105) = ( 0.0553568 0.4616068 0.5000000), wk = 0.0024510 k( 106) = ( 0.0738090 0.4488090 0.5000000), wk = 0.0024510 k( 107) = ( 0.0922613 0.4360113 0.5000000), wk = 0.0024510 k( 108) = ( 0.1107135 0.4232135 0.5000000), wk = 0.0024510 k( 109) = ( 0.1291658 0.4104158 0.5000000), wk = 0.0024510 k( 110) = ( 0.1476180 0.3976180 0.5000000), wk = 0.0024510 k( 111) = ( 0.1660703 0.3848203 0.5000000), wk = 0.0024510 k( 112) = ( 0.1845225 0.3720225 0.5000000), wk = 0.0024510 k( 113) = ( 0.2029748 0.3592248 0.5000000), wk = 0.0024510 k( 114) = ( 0.2214270 0.3464270 0.5000000), wk = 0.0024510 k( 115) = ( 0.2398793 0.3336293 0.5000000), wk = 0.0024510 k( 116) = ( 0.2583315 0.3208315 0.5000000), wk = 0.0024510 k( 117) = ( 0.2767838 0.3080338 0.5000000), wk = 0.0024510 k( 118) = ( 0.2952360 0.2952360 0.5000000), wk = 0.0024510 k( 119) = ( 0.2952360 0.2952360 0.5000000), wk = 0.0024510 k( 120) = ( 0.2880351 0.2880351 0.5000000), wk = 0.0024510 k( 121) = ( 0.2808343 0.2808343 0.5000000), wk = 0.0024510 k( 122) = ( 0.2736334 0.2736334 0.5000000), wk = 0.0024510 k( 123) = ( 0.2664325 0.2664325 0.5000000), wk = 0.0024510 k( 124) = ( 0.2592316 0.2592316 0.5000000), wk = 0.0024510 k( 125) = ( 0.2520308 0.2520307 0.5000000), wk = 0.0024510 k( 126) = ( 0.2448299 0.2448299 0.5000000), wk = 0.0024510 k( 127) = ( 0.2376290 0.2376290 0.5000000), wk = 0.0024510 k( 128) = ( 0.2304281 0.2304281 0.5000000), wk = 0.0024510 k( 129) = ( 0.2232272 0.2232272 0.5000000), wk = 0.0024510 k( 130) = ( 0.2160264 0.2160264 0.5000000), wk = 0.0024510 k( 131) = ( 0.2088255 0.2088255 0.5000000), wk = 0.0024510 k( 132) = ( 0.2016246 0.2016246 0.5000000), wk = 0.0024510 k( 133) = ( 0.1944237 0.1944237 0.5000000), wk = 0.0024510 k( 134) = ( 0.1872228 0.1872228 0.5000000), wk = 0.0024510 k( 135) = ( 0.1800220 0.1800220 0.5000000), wk = 0.0024510 k( 136) = ( 0.1728211 0.1728211 0.5000000), wk = 0.0024510 k( 137) = ( 0.1656202 0.1656202 0.5000000), wk = 0.0024510 k( 138) = ( 0.1584193 0.1584193 0.5000000), wk = 0.0024510 k( 139) = ( 0.1512185 0.1512185 0.5000000), wk = 0.0024510 k( 140) = ( 0.1440176 0.1440176 0.5000000), wk = 0.0024510 k( 141) = ( 0.1368167 0.1368167 0.5000000), wk = 0.0024510 k( 142) = ( 0.1296158 0.1296158 0.5000000), wk = 0.0024510 k( 143) = ( 0.1224149 0.1224149 0.5000000), wk = 0.0024510 k( 144) = ( 0.1152141 0.1152141 0.5000000), wk = 0.0024510 k( 145) = ( 0.1080132 0.1080132 0.5000000), wk = 0.0024510 k( 146) = ( 0.1008123 0.1008123 0.5000000), wk = 0.0024510 k( 147) = ( 0.0936114 0.0936114 0.5000000), wk = 0.0024510 k( 148) = ( 0.0864105 0.0864105 0.5000000), wk = 0.0024510 k( 149) = ( 0.0792097 0.0792097 0.5000000), wk = 0.0024510 k( 150) = ( 0.0720088 0.0720088 0.5000000), wk = 0.0024510 k( 151) = ( 0.0648079 0.0648079 0.5000000), wk = 0.0024510 k( 152) = ( 0.0576070 0.0576070 0.5000000), wk = 0.0024510 k( 153) = ( 0.0504061 0.0504061 0.5000000), wk = 0.0024510 k( 154) = ( 0.0432053 0.0432053 0.5000000), wk = 0.0024510 k( 155) = ( 0.0360044 0.0360044 0.5000000), wk = 0.0024510 k( 156) = ( 0.0288035 0.0288035 0.5000000), wk = 0.0024510 k( 157) = ( 0.0216026 0.0216026 0.5000000), wk = 0.0024510 k( 158) = ( 0.0144018 0.0144018 0.5000000), wk = 0.0024510 k( 159) = ( 0.0072009 0.0072009 0.5000000), wk = 0.0024510 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024510 k( 161) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024510 k( 162) = ( 0.0000000 0.0000000 0.4878049), wk = 0.0024510 k( 163) = ( 0.0000000 0.0000000 0.4756098), wk = 0.0024510 k( 164) = ( 0.0000000 0.0000000 0.4634146), wk = 0.0024510 k( 165) = ( 0.0000000 0.0000000 0.4512195), wk = 0.0024510 k( 166) = ( 0.0000000 0.0000000 0.4390244), wk = 0.0024510 k( 167) = ( 0.0000000 0.0000000 0.4268293), wk = 0.0024510 k( 168) = ( 0.0000000 0.0000000 0.4146341), wk = 0.0024510 k( 169) = ( 0.0000000 0.0000000 0.4024390), wk = 0.0024510 k( 170) = ( 0.0000000 0.0000000 0.3902439), wk = 0.0024510 k( 171) = ( 0.0000000 0.0000000 0.3780488), wk = 0.0024510 k( 172) = ( 0.0000000 0.0000000 0.3658537), wk = 0.0024510 k( 173) = ( 0.0000000 0.0000000 0.3536585), wk = 0.0024510 k( 174) = ( 0.0000000 0.0000000 0.3414634), wk = 0.0024510 k( 175) = ( 0.0000000 0.0000000 0.3292683), wk = 0.0024510 k( 176) = ( 0.0000000 0.0000000 0.3170732), wk = 0.0024510 k( 177) = ( 0.0000000 0.0000000 0.3048781), wk = 0.0024510 k( 178) = ( 0.0000000 0.0000000 0.2926829), wk = 0.0024510 k( 179) = ( 0.0000000 0.0000000 0.2804878), wk = 0.0024510 k( 180) = ( 0.0000000 0.0000000 0.2682927), wk = 0.0024510 k( 181) = ( 0.0000000 0.0000000 0.2560976), wk = 0.0024510 k( 182) = ( 0.0000000 0.0000000 0.2439024), wk = 0.0024510 k( 183) = ( 0.0000000 0.0000000 0.2317073), wk = 0.0024510 k( 184) = ( 0.0000000 0.0000000 0.2195122), wk = 0.0024510 k( 185) = ( 0.0000000 0.0000000 0.2073171), wk = 0.0024510 k( 186) = ( 0.0000000 0.0000000 0.1951219), wk = 0.0024510 k( 187) = ( 0.0000000 0.0000000 0.1829268), wk = 0.0024510 k( 188) = ( 0.0000000 0.0000000 0.1707317), wk = 0.0024510 k( 189) = ( 0.0000000 0.0000000 0.1585366), wk = 0.0024510 k( 190) = ( 0.0000000 0.0000000 0.1463415), wk = 0.0024510 k( 191) = ( 0.0000000 0.0000000 0.1341463), wk = 0.0024510 k( 192) = ( 0.0000000 0.0000000 0.1219512), wk = 0.0024510 k( 193) = ( 0.0000000 0.0000000 0.1097561), wk = 0.0024510 k( 194) = ( 0.0000000 0.0000000 0.0975610), wk = 0.0024510 k( 195) = ( 0.0000000 0.0000000 0.0853658), wk = 0.0024510 k( 196) = ( 0.0000000 0.0000000 0.0731707), wk = 0.0024510 k( 197) = ( 0.0000000 0.0000000 0.0609756), wk = 0.0024510 k( 198) = ( 0.0000000 0.0000000 0.0487805), wk = 0.0024510 k( 199) = ( 0.0000000 0.0000000 0.0365854), wk = 0.0024510 k( 200) = ( 0.0000000 0.0000000 0.0243902), wk = 0.0024510 k( 201) = ( 0.0000000 0.0000000 0.0121951), wk = 0.0024510 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 203) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 204) = ( -0.0166667 0.0166667 0.0000000), wk = 0.0024510 k( 205) = ( -0.0333333 0.0333333 0.0000000), wk = 0.0024510 k( 206) = ( -0.0500000 0.0500000 0.0000000), wk = 0.0024510 k( 207) = ( -0.0666667 0.0666667 0.0000000), wk = 0.0024510 k( 208) = ( -0.0833333 0.0833333 0.0000000), wk = 0.0024510 k( 209) = ( -0.1000000 0.1000000 0.0000000), wk = 0.0024510 k( 210) = ( -0.1166667 0.1166667 0.0000000), wk = 0.0024510 k( 211) = ( -0.1333333 0.1333333 0.0000000), wk = 0.0024510 k( 212) = ( -0.1500000 0.1500000 0.0000000), wk = 0.0024510 k( 213) = ( -0.1666667 0.1666667 0.0000000), wk = 0.0024510 k( 214) = ( -0.1833333 0.1833333 0.0000000), wk = 0.0024510 k( 215) = ( -0.2000000 0.2000000 0.0000000), wk = 0.0024510 k( 216) = ( -0.2166667 0.2166667 0.0000000), wk = 0.0024510 k( 217) = ( -0.2333333 0.2333333 0.0000000), wk = 0.0024510 k( 218) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0024510 k( 219) = ( -0.2666667 0.2666667 0.0000000), wk = 0.0024510 k( 220) = ( -0.2833333 0.2833333 0.0000000), wk = 0.0024510 k( 221) = ( -0.3000000 0.3000000 0.0000000), wk = 0.0024510 k( 222) = ( -0.3166667 0.3166667 0.0000000), wk = 0.0024510 k( 223) = ( -0.3333333 0.3333333 0.0000000), wk = 0.0024510 k( 224) = ( -0.3500000 0.3500000 0.0000000), wk = 0.0024510 k( 225) = ( -0.3666667 0.3666667 0.0000000), wk = 0.0024510 k( 226) = ( -0.3833333 0.3833333 0.0000000), wk = 0.0024510 k( 227) = ( -0.4000000 0.4000000 0.0000000), wk = 0.0024510 k( 228) = ( -0.4166667 0.4166667 0.0000000), wk = 0.0024510 k( 229) = ( -0.4333333 0.4333333 0.0000000), wk = 0.0024510 k( 230) = ( -0.4500000 0.4500000 0.0000000), wk = 0.0024510 k( 231) = ( -0.4666667 0.4666667 0.0000000), wk = 0.0024510 k( 232) = ( -0.4833333 0.4833333 0.0000000), wk = 0.0024510 k( 233) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024510 k( 234) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024510 k( 235) = ( -0.4929392 0.5070608 0.0000000), wk = 0.0024510 k( 236) = ( -0.4858784 0.5141216 0.0000000), wk = 0.0024510 k( 237) = ( -0.4788175 0.5211825 0.0000000), wk = 0.0024510 k( 238) = ( -0.4717567 0.5282433 0.0000000), wk = 0.0024510 k( 239) = ( -0.4646959 0.5353041 0.0000000), wk = 0.0024510 k( 240) = ( -0.4576350 0.5423650 0.0000000), wk = 0.0024510 k( 241) = ( -0.4505742 0.5494258 0.0000000), wk = 0.0024510 k( 242) = ( -0.4435134 0.5564866 0.0000000), wk = 0.0024510 k( 243) = ( -0.4364526 0.5635474 0.0000000), wk = 0.0024510 k( 244) = ( -0.4293917 0.5706083 0.0000000), wk = 0.0024510 k( 245) = ( -0.4223309 0.5776691 0.0000000), wk = 0.0024510 k( 246) = ( -0.4152701 0.5847299 0.0000000), wk = 0.0024510 k( 247) = ( -0.4082093 0.5917908 -0.0000000), wk = 0.0024510 k( 248) = ( -0.4011484 0.5988516 0.0000000), wk = 0.0024510 k( 249) = ( -0.3940876 0.6059124 -0.0000000), wk = 0.0024510 k( 250) = ( -0.3870268 0.6129732 -0.0000000), wk = 0.0024510 k( 251) = ( -0.3799659 0.6200341 -0.0000000), wk = 0.0024510 k( 252) = ( -0.3729051 0.6270949 -0.0000000), wk = 0.0024510 k( 253) = ( -0.3658443 0.6341557 0.0000000), wk = 0.0024510 k( 254) = ( -0.3587835 0.6412165 0.0000000), wk = 0.0024510 k( 255) = ( -0.3517226 0.6482774 -0.0000000), wk = 0.0024510 k( 256) = ( -0.3446618 0.6553382 0.0000000), wk = 0.0024510 k( 257) = ( -0.3376010 0.6623990 0.0000000), wk = 0.0024510 k( 258) = ( -0.3305402 0.6694598 0.0000000), wk = 0.0024510 k( 259) = ( -0.3234793 0.6765207 0.0000000), wk = 0.0024510 k( 260) = ( -0.3164185 0.6835815 -0.0000000), wk = 0.0024510 k( 261) = ( -0.3093577 0.6906423 0.0000000), wk = 0.0024510 k( 262) = ( -0.3022969 0.6977032 0.0000000), wk = 0.0024510 k( 263) = ( -0.2952360 0.7047640 0.0000000), wk = 0.0024510 k( 264) = ( -0.2952360 0.7047640 0.0000000), wk = 0.0024510 k( 265) = ( -0.2952360 0.7047640 0.0121951), wk = 0.0024510 k( 266) = ( -0.2952360 0.7047640 0.0243902), wk = 0.0024510 k( 267) = ( -0.2952360 0.7047640 0.0365854), wk = 0.0024510 k( 268) = ( -0.2952360 0.7047640 0.0487805), wk = 0.0024510 k( 269) = ( -0.2952360 0.7047640 0.0609756), wk = 0.0024510 k( 270) = ( -0.2952360 0.7047640 0.0731707), wk = 0.0024510 k( 271) = ( -0.2952360 0.7047640 0.0853658), wk = 0.0024510 k( 272) = ( -0.2952360 0.7047640 0.0975610), wk = 0.0024510 k( 273) = ( -0.2952360 0.7047640 0.1097561), wk = 0.0024510 k( 274) = ( -0.2952360 0.7047640 0.1219512), wk = 0.0024510 k( 275) = ( -0.2952360 0.7047640 0.1341463), wk = 0.0024510 k( 276) = ( -0.2952360 0.7047640 0.1463415), wk = 0.0024510 k( 277) = ( -0.2952360 0.7047640 0.1585366), wk = 0.0024510 k( 278) = ( -0.2952360 0.7047640 0.1707317), wk = 0.0024510 k( 279) = ( -0.2952360 0.7047640 0.1829268), wk = 0.0024510 k( 280) = ( -0.2952360 0.7047640 0.1951219), wk = 0.0024510 k( 281) = ( -0.2952360 0.7047640 0.2073171), wk = 0.0024510 k( 282) = ( -0.2952360 0.7047640 0.2195122), wk = 0.0024510 k( 283) = ( -0.2952360 0.7047640 0.2317073), wk = 0.0024510 k( 284) = ( -0.2952360 0.7047640 0.2439024), wk = 0.0024510 k( 285) = ( -0.2952360 0.7047640 0.2560976), wk = 0.0024510 k( 286) = ( -0.2952360 0.7047640 0.2682927), wk = 0.0024510 k( 287) = ( -0.2952360 0.7047640 0.2804878), wk = 0.0024510 k( 288) = ( -0.2952360 0.7047640 0.2926829), wk = 0.0024510 k( 289) = ( -0.2952360 0.7047640 0.3048781), wk = 0.0024510 k( 290) = ( -0.2952360 0.7047640 0.3170732), wk = 0.0024510 k( 291) = ( -0.2952360 0.7047640 0.3292683), wk = 0.0024510 k( 292) = ( -0.2952360 0.7047640 0.3414634), wk = 0.0024510 k( 293) = ( -0.2952360 0.7047640 0.3536585), wk = 0.0024510 k( 294) = ( -0.2952360 0.7047640 0.3658537), wk = 0.0024510 k( 295) = ( -0.2952360 0.7047640 0.3780488), wk = 0.0024510 k( 296) = ( -0.2952360 0.7047640 0.3902439), wk = 0.0024510 k( 297) = ( -0.2952360 0.7047640 0.4024390), wk = 0.0024510 k( 298) = ( -0.2952360 0.7047640 0.4146342), wk = 0.0024510 k( 299) = ( -0.2952360 0.7047640 0.4268293), wk = 0.0024510 k( 300) = ( -0.2952360 0.7047640 0.4390244), wk = 0.0024510 k( 301) = ( -0.2952360 0.7047640 0.4512195), wk = 0.0024510 k( 302) = ( -0.2952360 0.7047640 0.4634146), wk = 0.0024510 k( 303) = ( -0.2952360 0.7047640 0.4756098), wk = 0.0024510 k( 304) = ( -0.2952360 0.7047640 0.4878049), wk = 0.0024510 k( 305) = ( -0.2952360 0.7047640 0.5000000), wk = 0.0024510 k( 306) = ( -0.2952360 0.7047640 0.5000000), wk = 0.0024510 k( 307) = ( -0.3022969 0.6977032 0.5000000), wk = 0.0024510 k( 308) = ( -0.3093577 0.6906423 0.5000000), wk = 0.0024510 k( 309) = ( -0.3164185 0.6835815 0.5000000), wk = 0.0024510 k( 310) = ( -0.3234793 0.6765207 0.5000000), wk = 0.0024510 k( 311) = ( -0.3305402 0.6694598 0.5000000), wk = 0.0024510 k( 312) = ( -0.3376010 0.6623990 0.5000000), wk = 0.0024510 k( 313) = ( -0.3446618 0.6553382 0.5000000), wk = 0.0024510 k( 314) = ( -0.3517226 0.6482774 0.5000000), wk = 0.0024510 k( 315) = ( -0.3587835 0.6412165 0.5000000), wk = 0.0024510 k( 316) = ( -0.3658443 0.6341557 0.5000000), wk = 0.0024510 k( 317) = ( -0.3729051 0.6270949 0.5000000), wk = 0.0024510 k( 318) = ( -0.3799659 0.6200341 0.5000000), wk = 0.0024510 k( 319) = ( -0.3870268 0.6129732 0.5000000), wk = 0.0024510 k( 320) = ( -0.3940876 0.6059124 0.5000000), wk = 0.0024510 k( 321) = ( -0.4011484 0.5988516 0.5000000), wk = 0.0024510 k( 322) = ( -0.4082093 0.5917908 0.5000000), wk = 0.0024510 k( 323) = ( -0.4152701 0.5847299 0.5000000), wk = 0.0024510 k( 324) = ( -0.4223309 0.5776691 0.5000000), wk = 0.0024510 k( 325) = ( -0.4293917 0.5706083 0.5000000), wk = 0.0024510 k( 326) = ( -0.4364526 0.5635474 0.5000000), wk = 0.0024510 k( 327) = ( -0.4435134 0.5564866 0.5000000), wk = 0.0024510 k( 328) = ( -0.4505742 0.5494258 0.5000000), wk = 0.0024510 k( 329) = ( -0.4576350 0.5423650 0.5000000), wk = 0.0024510 k( 330) = ( -0.4646959 0.5353041 0.5000000), wk = 0.0024510 k( 331) = ( -0.4717567 0.5282433 0.5000000), wk = 0.0024510 k( 332) = ( -0.4788175 0.5211825 0.5000000), wk = 0.0024510 k( 333) = ( -0.4858784 0.5141216 0.5000000), wk = 0.0024510 k( 334) = ( -0.4929392 0.5070608 0.5000000), wk = 0.0024510 k( 335) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024510 k( 336) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024510 k( 337) = ( -0.5000000 0.5000000 0.4878049), wk = 0.0024510 k( 338) = ( -0.5000000 0.5000000 0.4756098), wk = 0.0024510 k( 339) = ( -0.5000000 0.5000000 0.4634146), wk = 0.0024510 k( 340) = ( -0.5000000 0.5000000 0.4512195), wk = 0.0024510 k( 341) = ( -0.5000000 0.5000000 0.4390244), wk = 0.0024510 k( 342) = ( -0.5000000 0.5000000 0.4268293), wk = 0.0024510 k( 343) = ( -0.5000000 0.5000000 0.4146341), wk = 0.0024510 k( 344) = ( -0.5000000 0.5000000 0.4024390), wk = 0.0024510 k( 345) = ( -0.5000000 0.5000000 0.3902439), wk = 0.0024510 k( 346) = ( -0.5000000 0.5000000 0.3780488), wk = 0.0024510 k( 347) = ( -0.5000000 0.5000000 0.3658537), wk = 0.0024510 k( 348) = ( -0.5000000 0.5000000 0.3536585), wk = 0.0024510 k( 349) = ( -0.5000000 0.5000000 0.3414634), wk = 0.0024510 k( 350) = ( -0.5000000 0.5000000 0.3292683), wk = 0.0024510 k( 351) = ( -0.5000000 0.5000000 0.3170732), wk = 0.0024510 k( 352) = ( -0.5000000 0.5000000 0.3048781), wk = 0.0024510 k( 353) = ( -0.5000000 0.5000000 0.2926829), wk = 0.0024510 k( 354) = ( -0.5000000 0.5000000 0.2804878), wk = 0.0024510 k( 355) = ( -0.5000000 0.5000000 0.2682927), wk = 0.0024510 k( 356) = ( -0.5000000 0.5000000 0.2560976), wk = 0.0024510 k( 357) = ( -0.5000000 0.5000000 0.2439024), wk = 0.0024510 k( 358) = ( -0.5000000 0.5000000 0.2317073), wk = 0.0024510 k( 359) = ( -0.5000000 0.5000000 0.2195122), wk = 0.0024510 k( 360) = ( -0.5000000 0.5000000 0.2073171), wk = 0.0024510 k( 361) = ( -0.5000000 0.5000000 0.1951219), wk = 0.0024510 k( 362) = ( -0.5000000 0.5000000 0.1829268), wk = 0.0024510 k( 363) = ( -0.5000000 0.5000000 0.1707317), wk = 0.0024510 k( 364) = ( -0.5000000 0.5000000 0.1585366), wk = 0.0024510 k( 365) = ( -0.5000000 0.5000000 0.1463415), wk = 0.0024510 k( 366) = ( -0.5000000 0.5000000 0.1341463), wk = 0.0024510 k( 367) = ( -0.5000000 0.5000000 0.1219512), wk = 0.0024510 k( 368) = ( -0.5000000 0.5000000 0.1097561), wk = 0.0024510 k( 369) = ( -0.5000000 0.5000000 0.0975610), wk = 0.0024510 k( 370) = ( -0.5000000 0.5000000 0.0853658), wk = 0.0024510 k( 371) = ( -0.5000000 0.5000000 0.0731707), wk = 0.0024510 k( 372) = ( -0.5000000 0.5000000 0.0609756), wk = 0.0024510 k( 373) = ( -0.5000000 0.5000000 0.0487805), wk = 0.0024510 k( 374) = ( -0.5000000 0.5000000 0.0365854), wk = 0.0024510 k( 375) = ( -0.5000000 0.5000000 0.0243902), wk = 0.0024510 k( 376) = ( -0.5000000 0.5000000 0.0121951), wk = 0.0024510 k( 377) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024510 k( 378) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024510 k( 379) = ( -0.0166667 0.0166667 0.5000000), wk = 0.0024510 k( 380) = ( -0.0333333 0.0333333 0.5000000), wk = 0.0024510 k( 381) = ( -0.0500000 0.0500000 0.5000000), wk = 0.0024510 k( 382) = ( -0.0666667 0.0666667 0.5000000), wk = 0.0024510 k( 383) = ( -0.0833333 0.0833333 0.5000000), wk = 0.0024510 k( 384) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0024510 k( 385) = ( -0.1166667 0.1166667 0.5000000), wk = 0.0024510 k( 386) = ( -0.1333333 0.1333333 0.5000000), wk = 0.0024510 k( 387) = ( -0.1500000 0.1500000 0.5000000), wk = 0.0024510 k( 388) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0024510 k( 389) = ( -0.1833333 0.1833333 0.5000000), wk = 0.0024510 k( 390) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0024510 k( 391) = ( -0.2166667 0.2166667 0.5000000), wk = 0.0024510 k( 392) = ( -0.2333333 0.2333333 0.5000000), wk = 0.0024510 k( 393) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0024510 k( 394) = ( -0.2666667 0.2666667 0.5000000), wk = 0.0024510 k( 395) = ( -0.2833333 0.2833333 0.5000000), wk = 0.0024510 k( 396) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0024510 k( 397) = ( -0.3166667 0.3166667 0.5000000), wk = 0.0024510 k( 398) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0024510 k( 399) = ( -0.3500000 0.3500000 0.5000000), wk = 0.0024510 k( 400) = ( -0.3666667 0.3666667 0.5000000), wk = 0.0024510 k( 401) = ( -0.3833333 0.3833333 0.5000000), wk = 0.0024510 k( 402) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0024510 k( 403) = ( -0.4166667 0.4166667 0.5000000), wk = 0.0024510 k( 404) = ( -0.4333333 0.4333333 0.5000000), wk = 0.0024510 k( 405) = ( -0.4500000 0.4500000 0.5000000), wk = 0.0024510 k( 406) = ( -0.4666667 0.4666667 0.5000000), wk = 0.0024510 k( 407) = ( -0.4833333 0.4833333 0.5000000), wk = 0.0024510 k( 408) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024510 Dense grid: 48889 G-vectors FFT dimensions: ( 60, 60, 40) Smooth grid: 27011 G-vectors FFT dimensions: ( 48, 48, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 154, 36) NL pseudopotentials 0.11 Mb ( 77, 96) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 1019) G-vector shells 0.00 Mb ( 494) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.34 Mb ( 154, 144) Each subspace H/S matrix 0.32 Mb ( 144, 144) Each matrix 0.11 Mb ( 96, 2, 36) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./CaSi.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.2 secs Computing kpt #: 2 total cpu time spent up to now is 44.1 secs Computing kpt #: 3 total cpu time spent up to now is 45.9 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 48.5 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 50.9 secs Computing kpt #: 6 total cpu time spent up to now is 52.8 secs Computing kpt #: 7 total cpu time spent up to now is 54.4 secs Computing kpt #: 8 total cpu time spent up to now is 56.1 secs Computing kpt #: 9 total cpu time spent up to now is 57.7 secs Computing kpt #: 10 total cpu time spent up to now is 59.7 secs Computing kpt #: 11 total cpu time spent up to now is 61.2 secs Computing kpt #: 12 total cpu time spent up to now is 62.9 secs Computing kpt #: 13 total cpu time spent up to now is 64.7 secs Computing kpt #: 14 total cpu time spent up to now is 66.7 secs Computing kpt #: 15 total cpu time spent up to now is 68.4 secs Computing kpt #: 16 total cpu time spent up to now is 70.1 secs Computing kpt #: 17 total cpu time spent up to now is 71.8 secs Computing kpt #: 18 total cpu time spent up to now is 73.7 secs Computing kpt #: 19 total cpu time spent up to now is 75.6 secs Computing kpt #: 20 total cpu time spent up to now is 77.3 secs Computing kpt #: 21 total cpu time spent up to now is 79.7 secs Computing kpt #: 22 total cpu time spent up to now is 81.7 secs Computing kpt #: 23 total cpu time spent up to now is 83.4 secs Computing kpt #: 24 total cpu time spent up to now is 85.2 secs Computing kpt #: 25 total cpu time spent up to now is 87.5 secs Computing kpt #: 26 total cpu time spent up to now is 90.0 secs Computing kpt #: 27 total cpu time spent up to now is 91.8 secs Computing kpt #: 28 total cpu time spent up to now is 93.7 secs Computing kpt #: 29 total cpu time spent up to now is 95.6 secs Computing kpt #: 30 total cpu time spent up to now is 97.8 secs Computing kpt #: 31 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 100.3 secs Computing kpt #: 32 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 102.6 secs Computing kpt #: 33 total cpu time spent up to now is 104.5 secs Computing kpt #: 34 total cpu time spent up to now is 106.3 secs Computing kpt #: 35 total cpu time spent up to now is 108.0 secs Computing kpt #: 36 total cpu time spent up to now is 109.6 secs Computing kpt #: 37 total cpu time spent up to now is 111.3 secs Computing kpt #: 38 total cpu time spent up to now is 112.9 secs Computing kpt #: 39 total cpu time spent up to now is 114.4 secs Computing kpt #: 40 total cpu time spent up to now is 115.9 secs Computing kpt #: 41 total cpu time spent up to now is 117.9 secs Computing kpt #: 42 total cpu time spent up to now is 119.9 secs Computing kpt #: 43 total cpu time spent up to now is 121.6 secs Computing kpt #: 44 total cpu time spent up to now is 123.1 secs Computing kpt #: 45 total cpu time spent up to now is 124.6 secs Computing kpt #: 46 total cpu time spent up to now is 126.2 secs Computing kpt #: 47 total cpu time spent up to now is 128.2 secs Computing kpt #: 48 total cpu time spent up to now is 130.5 secs Computing kpt #: 49 total cpu time spent up to now is 132.2 secs Computing kpt #: 50 total cpu time spent up to now is 134.1 secs Computing kpt #: 51 total cpu time spent up to now is 136.3 secs Computing kpt #: 52 total cpu time spent up to now is 138.5 secs Computing kpt #: 53 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 140.8 secs Computing kpt #: 54 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 143.1 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 145.4 secs Computing kpt #: 56 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 147.6 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 150.2 secs Computing kpt #: 58 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 152.6 secs Computing kpt #: 59 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 154.9 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 157.2 secs Computing kpt #: 61 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 159.5 secs Computing kpt #: 62 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 161.7 secs Computing kpt #: 63 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 164.0 secs Computing kpt #: 64 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 166.4 secs Computing kpt #: 65 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 168.7 secs Computing kpt #: 66 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 170.9 secs Computing kpt #: 67 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 173.2 secs Computing kpt #: 68 total cpu time spent up to now is 175.5 secs Computing kpt #: 69 total cpu time spent up to now is 177.7 secs Computing kpt #: 70 total cpu time spent up to now is 179.7 secs Computing kpt #: 71 total cpu time spent up to now is 181.3 secs Computing kpt #: 72 total cpu time spent up to now is 182.9 secs Computing kpt #: 73 total cpu time spent up to now is 184.5 secs Computing kpt #: 74 total cpu time spent up to now is 186.2 secs Computing kpt #: 75 total cpu time spent up to now is 188.2 secs Computing kpt #: 76 total cpu time spent up to now is 190.3 secs Computing kpt #: 77 total cpu time spent up to now is 192.6 secs Computing kpt #: 78 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 194.9 secs Computing kpt #: 79 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 197.1 secs Computing kpt #: 80 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 199.6 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 201.9 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 204.5 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 206.9 secs Computing kpt #: 84 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 209.1 secs Computing kpt #: 85 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 211.8 secs Computing kpt #: 86 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 214.2 secs Computing kpt #: 87 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 216.4 secs Computing kpt #: 88 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 218.8 secs Computing kpt #: 89 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 221.1 secs Computing kpt #: 90 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 223.4 secs Computing kpt #: 91 total cpu time spent up to now is 225.7 secs Computing kpt #: 92 total cpu time spent up to now is 227.9 secs Computing kpt #: 93 total cpu time spent up to now is 230.0 secs Computing kpt #: 94 total cpu time spent up to now is 231.9 secs Computing kpt #: 95 total cpu time spent up to now is 234.1 secs Computing kpt #: 96 total cpu time spent up to now is 236.0 secs Computing kpt #: 97 total cpu time spent up to now is 238.0 secs Computing kpt #: 98 total cpu time spent up to now is 239.8 secs Computing kpt #: 99 total cpu time spent up to now is 241.5 secs Computing kpt #: 100 total cpu time spent up to now is 243.1 secs Computing kpt #: 101 total cpu time spent up to now is 244.6 secs Computing kpt #: 102 total cpu time spent up to now is 246.2 secs Computing kpt #: 103 total cpu time spent up to now is 247.8 secs Computing kpt #: 104 total cpu time spent up to now is 249.3 secs Computing kpt #: 105 total cpu time spent up to now is 251.0 secs Computing kpt #: 106 total cpu time spent up to now is 252.7 secs Computing kpt #: 107 total cpu time spent up to now is 254.3 secs Computing kpt #: 108 total cpu time spent up to now is 256.1 secs Computing kpt #: 109 total cpu time spent up to now is 257.9 secs Computing kpt #: 110 total cpu time spent up to now is 259.7 secs Computing kpt #: 111 total cpu time spent up to now is 261.5 secs Computing kpt #: 112 total cpu time spent up to now is 263.5 secs Computing kpt #: 113 total cpu time spent up to now is 265.1 secs Computing kpt #: 114 total cpu time spent up to now is 266.7 secs Computing kpt #: 115 total cpu time spent up to now is 268.3 secs Computing kpt #: 116 total cpu time spent up to now is 269.9 secs Computing kpt #: 117 total cpu time spent up to now is 271.4 secs Computing kpt #: 118 total cpu time spent up to now is 272.8 secs Computing kpt #: 119 total cpu time spent up to now is 274.4 secs Computing kpt #: 120 total cpu time spent up to now is 276.0 secs Computing kpt #: 121 total cpu time spent up to now is 277.7 secs Computing kpt #: 122 total cpu time spent up to now is 279.5 secs Computing kpt #: 123 total cpu time spent up to now is 281.3 secs Computing kpt #: 124 total cpu time spent up to now is 282.8 secs Computing kpt #: 125 total cpu time spent up to now is 284.4 secs Computing kpt #: 126 total cpu time spent up to now is 286.0 secs Computing kpt #: 127 total cpu time spent up to now is 287.4 secs Computing kpt #: 128 total cpu time spent up to now is 288.9 secs Computing kpt #: 129 total cpu time spent up to now is 290.3 secs Computing kpt #: 130 total cpu time spent up to now is 291.6 secs Computing kpt #: 131 total cpu time spent up to now is 292.8 secs Computing kpt #: 132 total cpu time spent up to now is 294.1 secs Computing kpt #: 133 total cpu time spent up to now is 295.3 secs Computing kpt #: 134 total cpu time spent up to now is 296.4 secs Computing kpt #: 135 total cpu time spent up to now is 297.5 secs Computing kpt #: 136 total cpu time spent up to now is 298.6 secs Computing kpt #: 137 total cpu time spent up to now is 299.7 secs Computing kpt #: 138 total cpu time spent up to now is 300.8 secs Computing kpt #: 139 total cpu time spent up to now is 301.9 secs Computing kpt #: 140 total cpu time spent up to now is 303.1 secs Computing kpt #: 141 total cpu time spent up to now is 304.2 secs Computing kpt #: 142 total cpu time spent up to now is 305.4 secs Computing kpt #: 143 total cpu time spent up to now is 306.5 secs Computing kpt #: 144 total cpu time spent up to now is 307.7 secs Computing kpt #: 145 total cpu time spent up to now is 309.1 secs Computing kpt #: 146 total cpu time spent up to now is 310.5 secs Computing kpt #: 147 total cpu time spent up to now is 311.7 secs Computing kpt #: 148 total cpu time spent up to now is 313.1 secs Computing kpt #: 149 total cpu time spent up to now is 314.4 secs Computing kpt #: 150 total cpu time spent up to now is 315.7 secs Computing kpt #: 151 total cpu time spent up to now is 317.0 secs Computing kpt #: 152 total cpu time spent up to now is 318.3 secs Computing kpt #: 153 total cpu time spent up to now is 319.5 secs Computing kpt #: 154 total cpu time spent up to now is 320.8 secs Computing kpt #: 155 total cpu time spent up to now is 322.0 secs Computing kpt #: 156 total cpu time spent up to now is 323.2 secs Computing kpt #: 157 total cpu time spent up to now is 324.4 secs Computing kpt #: 158 total cpu time spent up to now is 325.6 secs Computing kpt #: 159 total cpu time spent up to now is 326.7 secs Computing kpt #: 160 total cpu time spent up to now is 328.0 secs Computing kpt #: 161 total cpu time spent up to now is 329.1 secs Computing kpt #: 162 total cpu time spent up to now is 330.3 secs Computing kpt #: 163 total cpu time spent up to now is 331.5 secs Computing kpt #: 164 total cpu time spent up to now is 332.6 secs Computing kpt #: 165 total cpu time spent up to now is 333.8 secs Computing kpt #: 166 total cpu time spent up to now is 335.1 secs Computing kpt #: 167 total cpu time spent up to now is 336.3 secs Computing kpt #: 168 total cpu time spent up to now is 337.6 secs Computing kpt #: 169 total cpu time spent up to now is 338.9 secs Computing kpt #: 170 total cpu time spent up to now is 340.5 secs Computing kpt #: 171 total cpu time spent up to now is 341.7 secs Computing kpt #: 172 total cpu time spent up to now is 343.0 secs Computing kpt #: 173 total cpu time spent up to now is 344.1 secs Computing kpt #: 174 total cpu time spent up to now is 345.4 secs Computing kpt #: 175 total cpu time spent up to now is 346.6 secs Computing kpt #: 176 total cpu time spent up to now is 347.8 secs Computing kpt #: 177 total cpu time spent up to now is 349.1 secs Computing kpt #: 178 total cpu time spent up to now is 350.3 secs Computing kpt #: 179 total cpu time spent up to now is 351.5 secs Computing kpt #: 180 total cpu time spent up to now is 352.6 secs Computing kpt #: 181 total cpu time spent up to now is 354.0 secs Computing kpt #: 182 total cpu time spent up to now is 355.3 secs Computing kpt #: 183 total cpu time spent up to now is 356.6 secs Computing kpt #: 184 total cpu time spent up to now is 357.9 secs Computing kpt #: 185 total cpu time spent up to now is 359.1 secs Computing kpt #: 186 total cpu time spent up to now is 360.4 secs Computing kpt #: 187 total cpu time spent up to now is 361.7 secs Computing kpt #: 188 total cpu time spent up to now is 363.0 secs Computing kpt #: 189 total cpu time spent up to now is 364.4 secs Computing kpt #: 190 total cpu time spent up to now is 365.8 secs Computing kpt #: 191 total cpu time spent up to now is 367.2 secs Computing kpt #: 192 total cpu time spent up to now is 368.8 secs Computing kpt #: 193 total cpu time spent up to now is 370.4 secs Computing kpt #: 194 total cpu time spent up to now is 372.0 secs Computing kpt #: 195 total cpu time spent up to now is 373.6 secs Computing kpt #: 196 total cpu time spent up to now is 375.4 secs Computing kpt #: 197 total cpu time spent up to now is 377.6 secs Computing kpt #: 198 total cpu time spent up to now is 379.9 secs Computing kpt #: 199 total cpu time spent up to now is 381.9 secs Computing kpt #: 200 total cpu time spent up to now is 383.8 secs Computing kpt #: 201 total cpu time spent up to now is 385.7 secs Computing kpt #: 202 total cpu time spent up to now is 387.4 secs Computing kpt #: 203 total cpu time spent up to now is 389.2 secs Computing kpt #: 204 total cpu time spent up to now is 390.9 secs Computing kpt #: 205 total cpu time spent up to now is 392.7 secs Computing kpt #: 206 total cpu time spent up to now is 394.6 secs Computing kpt #: 207 total cpu time spent up to now is 396.4 secs Computing kpt #: 208 total cpu time spent up to now is 398.2 secs Computing kpt #: 209 total cpu time spent up to now is 400.2 secs Computing kpt #: 210 total cpu time spent up to now is 402.0 secs Computing kpt #: 211 total cpu time spent up to now is 403.8 secs Computing kpt #: 212 total cpu time spent up to now is 406.3 secs Computing kpt #: 213 total cpu time spent up to now is 408.2 secs Computing kpt #: 214 total cpu time spent up to now is 410.0 secs Computing kpt #: 215 total cpu time spent up to now is 411.9 secs Computing kpt #: 216 total cpu time spent up to now is 414.0 secs Computing kpt #: 217 total cpu time spent up to now is 415.8 secs Computing kpt #: 218 total cpu time spent up to now is 418.0 secs Computing kpt #: 219 total cpu time spent up to now is 420.3 secs Computing kpt #: 220 total cpu time spent up to now is 422.3 secs Computing kpt #: 221 total cpu time spent up to now is 424.2 secs Computing kpt #: 222 total cpu time spent up to now is 426.6 secs Computing kpt #: 223 total cpu time spent up to now is 428.9 secs Computing kpt #: 224 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 431.4 secs Computing kpt #: 225 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 433.9 secs Computing kpt #: 226 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 436.2 secs Computing kpt #: 227 total cpu time spent up to now is 438.3 secs Computing kpt #: 228 total cpu time spent up to now is 440.2 secs Computing kpt #: 229 total cpu time spent up to now is 442.1 secs Computing kpt #: 230 total cpu time spent up to now is 443.9 secs Computing kpt #: 231 total cpu time spent up to now is 445.8 secs Computing kpt #: 232 total cpu time spent up to now is 447.7 secs Computing kpt #: 233 total cpu time spent up to now is 449.5 secs Computing kpt #: 234 total cpu time spent up to now is 451.6 secs Computing kpt #: 235 total cpu time spent up to now is 453.4 secs Computing kpt #: 236 total cpu time spent up to now is 455.3 secs Computing kpt #: 237 total cpu time spent up to now is 457.7 secs Computing kpt #: 238 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 460.0 secs Computing kpt #: 239 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 462.3 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 464.7 secs Computing kpt #: 241 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 467.1 secs Computing kpt #: 242 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 469.6 secs Computing kpt #: 243 total cpu time spent up to now is 471.5 secs Computing kpt #: 244 total cpu time spent up to now is 473.2 secs Computing kpt #: 245 total cpu time spent up to now is 474.8 secs Computing kpt #: 246 total cpu time spent up to now is 476.4 secs Computing kpt #: 247 total cpu time spent up to now is 478.0 secs Computing kpt #: 248 total cpu time spent up to now is 479.7 secs Computing kpt #: 249 total cpu time spent up to now is 481.3 secs Computing kpt #: 250 total cpu time spent up to now is 482.9 secs Computing kpt #: 251 total cpu time spent up to now is 484.7 secs Computing kpt #: 252 total cpu time spent up to now is 486.5 secs Computing kpt #: 253 total cpu time spent up to now is 488.7 secs Computing kpt #: 254 total cpu time spent up to now is 490.7 secs Computing kpt #: 255 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 493.0 secs Computing kpt #: 256 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 495.3 secs Computing kpt #: 257 total cpu time spent up to now is 497.7 secs Computing kpt #: 258 total cpu time spent up to now is 499.8 secs Computing kpt #: 259 total cpu time spent up to now is 501.6 secs Computing kpt #: 260 total cpu time spent up to now is 503.2 secs Computing kpt #: 261 total cpu time spent up to now is 504.8 secs Computing kpt #: 262 total cpu time spent up to now is 506.3 secs Computing kpt #: 263 total cpu time spent up to now is 507.9 secs Computing kpt #: 264 total cpu time spent up to now is 509.4 secs Computing kpt #: 265 total cpu time spent up to now is 510.8 secs Computing kpt #: 266 total cpu time spent up to now is 512.6 secs Computing kpt #: 267 total cpu time spent up to now is 514.1 secs Computing kpt #: 268 total cpu time spent up to now is 515.6 secs Computing kpt #: 269 total cpu time spent up to now is 517.0 secs Computing kpt #: 270 total cpu time spent up to now is 518.4 secs Computing kpt #: 271 total cpu time spent up to now is 520.1 secs Computing kpt #: 272 total cpu time spent up to now is 521.8 secs Computing kpt #: 273 total cpu time spent up to now is 523.3 secs Computing kpt #: 274 total cpu time spent up to now is 524.7 secs Computing kpt #: 275 total cpu time spent up to now is 526.1 secs Computing kpt #: 276 total cpu time spent up to now is 527.6 secs Computing kpt #: 277 total cpu time spent up to now is 529.0 secs Computing kpt #: 278 total cpu time spent up to now is 530.5 secs Computing kpt #: 279 total cpu time spent up to now is 532.1 secs Computing kpt #: 280 total cpu time spent up to now is 533.7 secs Computing kpt #: 281 total cpu time spent up to now is 535.4 secs Computing kpt #: 282 total cpu time spent up to now is 537.0 secs Computing kpt #: 283 total cpu time spent up to now is 538.6 secs Computing kpt #: 284 total cpu time spent up to now is 540.3 secs Computing kpt #: 285 total cpu time spent up to now is 541.9 secs Computing kpt #: 286 total cpu time spent up to now is 543.6 secs Computing kpt #: 287 total cpu time spent up to now is 545.2 secs Computing kpt #: 288 total cpu time spent up to now is 546.9 secs Computing kpt #: 289 total cpu time spent up to now is 548.6 secs Computing kpt #: 290 total cpu time spent up to now is 550.2 secs Computing kpt #: 291 total cpu time spent up to now is 552.1 secs Computing kpt #: 292 total cpu time spent up to now is 553.8 secs Computing kpt #: 293 total cpu time spent up to now is 555.7 secs Computing kpt #: 294 total cpu time spent up to now is 557.4 secs Computing kpt #: 295 total cpu time spent up to now is 559.1 secs Computing kpt #: 296 total cpu time spent up to now is 560.8 secs Computing kpt #: 297 total cpu time spent up to now is 562.7 secs Computing kpt #: 298 total cpu time spent up to now is 564.4 secs Computing kpt #: 299 total cpu time spent up to now is 566.3 secs Computing kpt #: 300 total cpu time spent up to now is 567.9 secs Computing kpt #: 301 total cpu time spent up to now is 569.6 secs Computing kpt #: 302 total cpu time spent up to now is 571.2 secs Computing kpt #: 303 total cpu time spent up to now is 572.7 secs Computing kpt #: 304 total cpu time spent up to now is 574.3 secs Computing kpt #: 305 total cpu time spent up to now is 575.7 secs Computing kpt #: 306 total cpu time spent up to now is 577.1 secs Computing kpt #: 307 total cpu time spent up to now is 578.5 secs Computing kpt #: 308 total cpu time spent up to now is 579.9 secs Computing kpt #: 309 total cpu time spent up to now is 581.3 secs Computing kpt #: 310 total cpu time spent up to now is 582.4 secs Computing kpt #: 311 total cpu time spent up to now is 583.5 secs Computing kpt #: 312 total cpu time spent up to now is 584.7 secs Computing kpt #: 313 total cpu time spent up to now is 585.8 secs Computing kpt #: 314 total cpu time spent up to now is 586.9 secs Computing kpt #: 315 total cpu time spent up to now is 587.9 secs Computing kpt #: 316 total cpu time spent up to now is 589.1 secs Computing kpt #: 317 total cpu time spent up to now is 590.3 secs Computing kpt #: 318 total cpu time spent up to now is 591.4 secs Computing kpt #: 319 total cpu time spent up to now is 592.5 secs Computing kpt #: 320 total cpu time spent up to now is 593.6 secs Computing kpt #: 321 total cpu time spent up to now is 594.6 secs Computing kpt #: 322 total cpu time spent up to now is 595.7 secs Computing kpt #: 323 total cpu time spent up to now is 597.0 secs Computing kpt #: 324 total cpu time spent up to now is 598.7 secs Computing kpt #: 325 total cpu time spent up to now is 600.6 secs Computing kpt #: 326 total cpu time spent up to now is 602.2 secs Computing kpt #: 327 total cpu time spent up to now is 603.4 secs Computing kpt #: 328 total cpu time spent up to now is 604.8 secs Computing kpt #: 329 total cpu time spent up to now is 606.2 secs Computing kpt #: 330 total cpu time spent up to now is 607.7 secs Computing kpt #: 331 total cpu time spent up to now is 609.2 secs Computing kpt #: 332 total cpu time spent up to now is 610.7 secs Computing kpt #: 333 total cpu time spent up to now is 612.3 secs Computing kpt #: 334 total cpu time spent up to now is 614.1 secs Computing kpt #: 335 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 616.4 secs Computing kpt #: 336 total cpu time spent up to now is 618.4 secs Computing kpt #: 337 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 621.0 secs Computing kpt #: 338 total cpu time spent up to now is 622.7 secs Computing kpt #: 339 total cpu time spent up to now is 624.4 secs Computing kpt #: 340 total cpu time spent up to now is 626.0 secs Computing kpt #: 341 total cpu time spent up to now is 627.7 secs Computing kpt #: 342 total cpu time spent up to now is 629.2 secs Computing kpt #: 343 total cpu time spent up to now is 630.8 secs Computing kpt #: 344 total cpu time spent up to now is 632.5 secs Computing kpt #: 345 total cpu time spent up to now is 634.1 secs Computing kpt #: 346 total cpu time spent up to now is 635.6 secs Computing kpt #: 347 total cpu time spent up to now is 637.1 secs Computing kpt #: 348 total cpu time spent up to now is 638.4 secs Computing kpt #: 349 total cpu time spent up to now is 639.9 secs Computing kpt #: 350 total cpu time spent up to now is 641.2 secs Computing kpt #: 351 total cpu time spent up to now is 642.7 secs Computing kpt #: 352 total cpu time spent up to now is 644.3 secs Computing kpt #: 353 total cpu time spent up to now is 645.8 secs Computing kpt #: 354 total cpu time spent up to now is 647.2 secs Computing kpt #: 355 total cpu time spent up to now is 648.7 secs Computing kpt #: 356 total cpu time spent up to now is 650.3 secs Computing kpt #: 357 total cpu time spent up to now is 652.0 secs Computing kpt #: 358 total cpu time spent up to now is 653.6 secs Computing kpt #: 359 total cpu time spent up to now is 655.2 secs Computing kpt #: 360 total cpu time spent up to now is 656.7 secs Computing kpt #: 361 total cpu time spent up to now is 658.2 secs Computing kpt #: 362 total cpu time spent up to now is 659.6 secs Computing kpt #: 363 total cpu time spent up to now is 661.2 secs Computing kpt #: 364 total cpu time spent up to now is 662.8 secs Computing kpt #: 365 total cpu time spent up to now is 664.4 secs Computing kpt #: 366 total cpu time spent up to now is 666.4 secs Computing kpt #: 367 total cpu time spent up to now is 668.0 secs Computing kpt #: 368 total cpu time spent up to now is 669.6 secs Computing kpt #: 369 total cpu time spent up to now is 671.9 secs Computing kpt #: 370 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 674.4 secs Computing kpt #: 371 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 676.7 secs Computing kpt #: 372 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 679.1 secs Computing kpt #: 373 total cpu time spent up to now is 681.0 secs Computing kpt #: 374 total cpu time spent up to now is 683.2 secs Computing kpt #: 375 total cpu time spent up to now is 685.0 secs Computing kpt #: 376 total cpu time spent up to now is 686.8 secs Computing kpt #: 377 total cpu time spent up to now is 688.7 secs Computing kpt #: 378 total cpu time spent up to now is 689.8 secs Computing kpt #: 379 total cpu time spent up to now is 690.9 secs Computing kpt #: 380 total cpu time spent up to now is 692.0 secs Computing kpt #: 381 total cpu time spent up to now is 693.2 secs Computing kpt #: 382 total cpu time spent up to now is 694.3 secs Computing kpt #: 383 total cpu time spent up to now is 695.5 secs Computing kpt #: 384 total cpu time spent up to now is 697.1 secs Computing kpt #: 385 total cpu time spent up to now is 698.4 secs Computing kpt #: 386 total cpu time spent up to now is 699.7 secs Computing kpt #: 387 total cpu time spent up to now is 700.9 secs Computing kpt #: 388 total cpu time spent up to now is 702.3 secs Computing kpt #: 389 total cpu time spent up to now is 703.8 secs Computing kpt #: 390 total cpu time spent up to now is 705.2 secs Computing kpt #: 391 total cpu time spent up to now is 706.8 secs Computing kpt #: 392 total cpu time spent up to now is 708.6 secs Computing kpt #: 393 total cpu time spent up to now is 710.3 secs Computing kpt #: 394 total cpu time spent up to now is 712.2 secs Computing kpt #: 395 total cpu time spent up to now is 714.0 secs Computing kpt #: 396 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 716.4 secs Computing kpt #: 397 total cpu time spent up to now is 719.2 secs Computing kpt #: 398 total cpu time spent up to now is 721.4 secs Computing kpt #: 399 total cpu time spent up to now is 724.2 secs Computing kpt #: 400 total cpu time spent up to now is 726.6 secs Computing kpt #: 401 total cpu time spent up to now is 728.8 secs Computing kpt #: 402 total cpu time spent up to now is 730.8 secs Computing kpt #: 403 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 733.1 secs Computing kpt #: 404 total cpu time spent up to now is 735.3 secs Computing kpt #: 405 total cpu time spent up to now is 737.5 secs Computing kpt #: 406 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 739.8 secs Computing kpt #: 407 total cpu time spent up to now is 742.1 secs Computing kpt #: 408 total cpu time spent up to now is 744.0 secs ethr = 3.57E-11, avg # of iterations = 71.2 total cpu time spent up to now is 744.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3359 PWs) bands (ev): -33.3134 -33.3134 -33.2832 -33.2832 -14.6451 -14.6451 -14.5368 -14.5368 -14.2980 -14.2980 -14.2119 -14.2119 -14.1805 -14.1805 -14.1216 -14.1216 -2.4473 -2.4473 2.4204 2.4204 5.1052 5.1052 5.4226 5.4226 6.0040 6.0040 7.4724 7.4724 8.5474 8.5474 8.6082 8.6082 10.5190 10.5190 10.8226 10.8226 k = 0.0072 0.0169-0.0000 ( 3355 PWs) bands (ev): -33.3134 -33.3134 -33.2832 -33.2832 -14.6450 -14.6450 -14.5369 -14.5369 -14.2980 -14.2980 -14.2119 -14.2119 -14.1806 -14.1806 -14.1216 -14.1216 -2.4465 -2.4465 2.4213 2.4213 5.0918 5.0918 5.4331 5.4331 6.0036 6.0036 7.4714 7.4714 8.5520 8.5520 8.6030 8.6030 10.5129 10.5129 10.8296 10.8296 k = 0.0144 0.0339-0.0000 ( 3353 PWs) bands (ev): -33.3134 -33.3134 -33.2832 -33.2832 -14.6450 -14.6450 -14.5370 -14.5370 -14.2979 -14.2979 -14.2119 -14.2119 -14.1807 -14.1807 -14.1217 -14.1217 -2.4441 -2.4441 2.4239 2.4239 5.0561 5.0561 5.4602 5.4602 6.0024 6.0024 7.4681 7.4681 8.5655 8.5655 8.5885 8.5885 10.4958 10.4958 10.8501 10.8501 k = 0.0216 0.0508-0.0000 ( 3359 PWs) bands (ev): -33.3134 -33.3134 -33.2832 -33.2832 -14.6449 -14.6449 -14.5374 -14.5374 -14.2978 -14.2978 -14.2120 -14.2120 -14.1809 -14.1809 -14.1218 -14.1218 -2.4401 -2.4401 2.4282 2.4282 5.0056 5.0056 5.4964 5.4964 6.0005 6.0005 7.4622 7.4622 8.5626 8.5626 8.5907 8.5907 10.4707 10.4707 10.8830 10.8830 k = 0.0288 0.0677-0.0000 ( 3355 PWs) bands (ev): -33.3133 -33.3133 -33.2833 -33.2833 -14.6448 -14.6448 -14.5378 -14.5378 -14.2977 -14.2977 -14.2120 -14.2120 -14.1811 -14.1811 -14.1218 -14.1218 -2.4345 -2.4345 2.4342 2.4342 4.9462 4.9462 5.5363 5.5363 5.9977 5.9977 7.4533 7.4533 8.5326 8.5326 8.6223 8.6223 10.4407 10.4407 10.8514 10.8514 k = 0.0360 0.0846-0.0000 ( 3353 PWs) bands (ev): -33.3132 -33.3132 -33.2833 -33.2833 -14.6446 -14.6446 -14.5384 -14.5384 -14.2975 -14.2975 -14.2122 -14.2122 -14.1814 -14.1814 -14.1219 -14.1219 -2.4274 -2.4274 2.4418 2.4418 4.8810 4.8810 5.5770 5.5770 5.9943 5.9943 7.4404 7.4404 8.4979 8.4979 8.6630 8.6630 10.4082 10.4082 10.7682 10.7682 k = 0.0432 0.1016-0.0000 ( 3353 PWs) bands (ev): -33.3131 -33.3131 -33.2834 -33.2834 -14.6445 -14.6445 -14.5391 -14.5391 -14.2972 -14.2972 -14.2124 -14.2124 -14.1818 -14.1818 -14.1221 -14.1221 -2.4188 -2.4188 2.4510 2.4510 4.8120 4.8120 5.6169 5.6169 5.9901 5.9901 7.4228 7.4228 8.4614 8.4614 8.7118 8.7118 10.3752 10.3752 10.6869 10.6869 k = 0.0504 0.1185-0.0000 ( 3357 PWs) bands (ev): -33.3130 -33.3130 -33.2835 -33.2835 -14.6443 -14.6443 -14.5399 -14.5399 -14.2970 -14.2970 -14.2126 -14.2126 -14.1822 -14.1822 -14.1223 -14.1223 -2.4087 -2.4087 2.4617 2.4617 4.7404 4.7404 5.6554 5.6554 5.9853 5.9853 7.3995 7.3995 8.4260 8.4260 8.7682 8.7682 10.3428 10.3428 10.6077 10.6077 k = 0.0576 0.1354-0.0000 ( 3365 PWs) bands (ev): -33.3129 -33.3129 -33.2836 -33.2836 -14.6441 -14.6441 -14.5408 -14.5408 -14.2967 -14.2967 -14.2129 -14.2129 -14.1827 -14.1827 -14.1225 -14.1225 -2.3973 -2.3973 2.4739 2.4739 4.6671 4.6671 5.6921 5.6921 5.9798 5.9798 7.3695 7.3695 8.3940 8.3940 8.8315 8.8315 10.3119 10.3119 10.5308 10.5308 k = 0.0648 0.1524-0.0000 ( 3365 PWs) bands (ev): -33.3128 -33.3128 -33.2836 -33.2836 -14.6439 -14.6439 -14.5419 -14.5419 -14.2963 -14.2963 -14.2132 -14.2132 -14.1833 -14.1833 -14.1227 -14.1227 -2.3845 -2.3845 2.4874 2.4874 4.5927 4.5927 5.7269 5.7269 5.9736 5.9736 7.3323 7.3323 8.3676 8.3676 8.9014 8.9014 10.2830 10.2830 10.4561 10.4561 k = 0.0720 0.1693-0.0000 ( 3369 PWs) bands (ev): -33.3126 -33.3126 -33.2838 -33.2838 -14.6436 -14.6436 -14.5430 -14.5430 -14.2960 -14.2960 -14.2135 -14.2135 -14.1838 -14.1838 -14.1230 -14.1230 -2.3704 -2.3704 2.5021 2.5021 4.5177 4.5177 5.7598 5.7598 5.9669 5.9669 7.2875 7.2875 8.3480 8.3480 8.9770 8.9770 10.2566 10.2566 10.3839 10.3839 k = 0.0792 0.1862-0.0000 ( 3373 PWs) bands (ev): -33.3124 -33.3124 -33.2839 -33.2839 -14.6433 -14.6433 -14.5442 -14.5442 -14.2955 -14.2955 -14.2139 -14.2139 -14.1843 -14.1843 -14.1233 -14.1233 -2.3552 -2.3552 2.5179 2.5179 4.4426 4.4426 5.7910 5.7910 5.9597 5.9597 7.2355 7.2355 8.3362 8.3362 9.0578 9.0578 10.2328 10.2328 10.3142 10.3142 k = 0.0864 0.2031-0.0000 ( 3373 PWs) bands (ev): -33.3122 -33.3122 -33.2840 -33.2840 -14.6430 -14.6430 -14.5455 -14.5455 -14.2950 -14.2950 -14.2143 -14.2143 -14.1849 -14.1849 -14.1236 -14.1236 -2.3388 -2.3388 2.5347 2.5347 4.3680 4.3680 5.8204 5.8204 5.9520 5.9520 7.1769 7.1769 8.3323 8.3323 9.1431 9.1431 10.2118 10.2118 10.2469 10.2469 k = 0.0936 0.2201-0.0000 ( 3373 PWs) bands (ev): -33.3121 -33.3121 -33.2841 -33.2841 -14.6426 -14.6426 -14.5469 -14.5469 -14.2945 -14.2945 -14.2148 -14.2148 -14.1854 -14.1854 -14.1239 -14.1239 -2.3215 -2.3215 2.5523 2.5523 4.2941 4.2941 5.8484 5.8484 5.9439 5.9439 7.1129 7.1129 8.3359 8.3359 9.2322 9.2322 10.1820 10.1820 10.1941 10.1941 k = 0.1008 0.2370-0.0000 ( 3359 PWs) bands (ev): -33.3118 -33.3118 -33.2843 -33.2843 -14.6421 -14.6421 -14.5483 -14.5483 -14.2939 -14.2939 -14.2153 -14.2153 -14.1859 -14.1859 -14.1243 -14.1243 -2.3033 -2.3033 2.5704 2.5704 4.2214 4.2214 5.8749 5.8749 5.9355 5.9355 7.0446 7.0446 8.3466 8.3466 9.3246 9.3246 10.1200 10.1200 10.1791 10.1791 k = 0.1080 0.2539-0.0000 ( 3349 PWs) bands (ev): -33.3116 -33.3116 -33.2844 -33.2844 -14.6417 -14.6417 -14.5498 -14.5498 -14.2933 -14.2933 -14.2159 -14.2159 -14.1864 -14.1864 -14.1246 -14.1246 -2.2844 -2.2844 2.5890 2.5890 4.1502 4.1502 5.8999 5.8999 5.9271 5.9271 6.9733 6.9733 8.3635 8.3635 9.4196 9.4196 10.0606 10.0606 10.1673 10.1673 k = 0.1152 0.2709-0.0000 ( 3349 PWs) bands (ev): -33.3114 -33.3114 -33.2846 -33.2846 -14.6412 -14.6412 -14.5514 -14.5514 -14.2927 -14.2927 -14.2165 -14.2165 -14.1868 -14.1868 -14.1251 -14.1251 -2.2648 -2.2648 2.6077 2.6077 4.0807 4.0807 5.9151 5.9151 5.9272 5.9272 6.9003 6.9003 8.3858 8.3858 9.5165 9.5165 10.0039 10.0039 10.1586 10.1586 k = 0.1224 0.2878-0.0000 ( 3347 PWs) bands (ev): -33.3111 -33.3111 -33.2848 -33.2848 -14.6408 -14.6408 -14.5530 -14.5530 -14.2920 -14.2920 -14.2172 -14.2172 -14.1873 -14.1873 -14.1255 -14.1255 -2.2446 -2.2446 2.6264 2.6264 4.0134 4.0134 5.9074 5.9074 5.9492 5.9492 6.8268 6.8268 8.4129 8.4129 9.6149 9.6149 9.9498 9.9498 10.1530 10.1530 k = 0.1296 0.3047-0.0000 ( 3347 PWs) bands (ev): -33.3109 -33.3109 -33.2850 -33.2850 -14.6402 -14.6402 -14.5547 -14.5547 -14.2913 -14.2913 -14.2180 -14.2180 -14.1876 -14.1876 -14.1260 -14.1260 -2.2241 -2.2241 2.6447 2.6447 3.9485 3.9485 5.8983 5.8983 5.9719 5.9719 6.7537 6.7537 8.4440 8.4440 9.7140 9.7140 9.8986 9.8986 10.1504 10.1504 k = 0.1368 0.3216-0.0000 ( 3351 PWs) bands (ev): -33.3106 -33.3106 -33.2852 -33.2852 -14.6397 -14.6397 -14.5564 -14.5564 -14.2906 -14.2906 -14.2188 -14.2188 -14.1880 -14.1880 -14.1265 -14.1265 -2.2034 -2.2034 2.6625 2.6625 3.8863 3.8863 5.8889 5.8889 5.9940 5.9940 6.6822 6.6822 8.4785 8.4785 9.8127 9.8127 9.8506 9.8506 10.1509 10.1509 k = 0.1440 0.3386-0.0000 ( 3351 PWs) bands (ev): -33.3103 -33.3103 -33.2854 -33.2854 -14.6392 -14.6392 -14.5581 -14.5581 -14.2898 -14.2898 -14.2197 -14.2197 -14.1882 -14.1882 -14.1270 -14.1270 -2.1825 -2.1825 2.6793 2.6793 3.8271 3.8271 5.8796 5.8796 6.0157 6.0157 6.6129 6.6129 8.5157 8.5157 9.8040 9.8040 9.9126 9.9126 10.1544 10.1544 k = 0.1512 0.3555-0.0000 ( 3351 PWs) bands (ev): -33.3100 -33.3100 -33.2856 -33.2856 -14.6386 -14.6386 -14.5598 -14.5598 -14.2891 -14.2891 -14.2206 -14.2206 -14.1884 -14.1884 -14.1276 -14.1276 -2.1617 -2.1617 2.6948 2.6948 3.7711 3.7711 5.8703 5.8703 6.0369 6.0369 6.5469 6.5469 8.5551 8.5551 9.7612 9.7612 10.0103 10.0103 10.1608 10.1608 k = 0.1584 0.3724-0.0000 ( 3345 PWs) bands (ev): -33.3097 -33.3097 -33.2859 -33.2859 -14.6379 -14.6379 -14.5615 -14.5615 -14.2882 -14.2882 -14.2216 -14.2216 -14.1885 -14.1885 -14.1282 -14.1282 -2.1411 -2.1411 2.7088 2.7088 3.7186 3.7186 5.8612 5.8612 6.0579 6.0579 6.4847 6.4847 8.5961 8.5961 9.7212 9.7212 10.1063 10.1063 10.1700 10.1700 k = 0.1656 0.3894-0.0000 ( 3341 PWs) bands (ev): -33.3094 -33.3094 -33.2861 -33.2861 -14.6373 -14.6373 -14.5632 -14.5632 -14.2873 -14.2873 -14.2225 -14.2225 -14.1886 -14.1886 -14.1288 -14.1288 -2.1209 -2.1209 2.7209 2.7209 3.6697 3.6697 5.8523 5.8523 6.0786 6.0786 6.4271 6.4271 8.6382 8.6382 9.6840 9.6840 10.1819 10.1819 10.1996 10.1996 k = 0.1728 0.4063-0.0000 ( 3341 PWs) bands (ev): -33.3091 -33.3091 -33.2863 -33.2863 -14.6366 -14.6366 -14.5650 -14.5650 -14.2864 -14.2864 -14.2235 -14.2235 -14.1886 -14.1886 -14.1295 -14.1295 -2.1012 -2.1012 2.7307 2.7307 3.6248 3.6248 5.8437 5.8437 6.0991 6.0991 6.3746 6.3746 8.6808 8.6808 9.6497 9.6497 10.1964 10.1964 10.2886 10.2886 k = 0.1800 0.4232-0.0000 ( 3341 PWs) bands (ev): -33.3088 -33.3088 -33.2866 -33.2866 -14.6358 -14.6358 -14.5667 -14.5667 -14.2854 -14.2854 -14.2246 -14.2246 -14.1886 -14.1886 -14.1302 -14.1302 -2.0821 -2.0821 2.7379 2.7379 3.5841 3.5841 5.8355 5.8355 6.1195 6.1195 6.3279 6.3279 8.7234 8.7234 9.6183 9.6183 10.2134 10.2134 10.3212 10.3212 k = 0.1872 0.4401-0.0000 ( 3327 PWs) bands (ev): -33.3085 -33.3085 -33.2869 -33.2869 -14.6351 -14.6351 -14.5683 -14.5683 -14.2844 -14.2844 -14.2256 -14.2256 -14.1884 -14.1884 -14.1308 -14.1308 -2.0639 -2.0639 2.7422 2.7422 3.5476 3.5476 5.8276 5.8276 6.1398 6.1398 6.2875 6.2875 8.7654 8.7654 9.5899 9.5899 10.2320 10.2320 10.2550 10.2550 k = 0.1944 0.4571-0.0000 ( 3331 PWs) bands (ev): -33.3082 -33.3082 -33.2871 -33.2871 -14.6343 -14.6343 -14.5699 -14.5699 -14.2834 -14.2834 -14.2266 -14.2266 -14.1882 -14.1882 -14.1316 -14.1316 -2.0466 -2.0466 2.7434 2.7434 3.5158 3.5158 5.8202 5.8202 6.1601 6.1601 6.2537 6.2537 8.8062 8.8062 9.5642 9.5642 10.1829 10.1829 10.2554 10.2554 k = 0.2016 0.4740-0.0000 ( 3335 PWs) bands (ev): -33.3079 -33.3079 -33.2874 -33.2874 -14.6335 -14.6335 -14.5716 -14.5716 -14.2824 -14.2824 -14.2277 -14.2277 -14.1880 -14.1880 -14.1324 -14.1324 -2.0304 -2.0304 2.7411 2.7411 3.4886 3.4886 5.8134 5.8134 6.1803 6.1803 6.2272 6.2272 8.8450 8.8450 9.5416 9.5416 10.1127 10.1127 10.2791 10.2791 k = 0.2088 0.4909-0.0000 ( 3339 PWs) bands (ev): -33.3075 -33.3075 -33.2877 -33.2877 -14.6327 -14.6327 -14.5731 -14.5731 -14.2813 -14.2813 -14.2288 -14.2288 -14.1878 -14.1878 -14.1332 -14.1332 -2.0154 -2.0154 2.7352 2.7352 3.4662 3.4662 5.8071 5.8071 6.1998 6.1998 6.2087 6.2087 8.8813 8.8813 9.5218 9.5218 10.0424 10.0424 10.3049 10.3049 k = 0.2160 0.5078-0.0000 ( 3341 PWs) bands (ev): -33.3072 -33.3072 -33.2880 -33.2880 -14.6318 -14.6318 -14.5746 -14.5746 -14.2802 -14.2802 -14.2298 -14.2298 -14.1874 -14.1874 -14.1340 -14.1340 -2.0018 -2.0018 2.7256 2.7256 3.4488 3.4488 5.8014 5.8014 6.1958 6.1958 6.2214 6.2214 8.9142 8.9142 9.5050 9.5050 9.9725 9.9725 10.3326 10.3326 k = 0.2232 0.5248-0.0000 ( 3341 PWs) bands (ev): -33.3069 -33.3069 -33.2883 -33.2883 -14.6309 -14.6309 -14.5760 -14.5760 -14.2791 -14.2791 -14.2308 -14.2308 -14.1871 -14.1871 -14.1349 -14.1349 -1.9896 -1.9896 2.7122 2.7122 3.4366 3.4366 5.7964 5.7964 6.1921 6.1921 6.2415 6.2415 8.9430 8.9430 9.4911 9.4911 9.9031 9.9031 10.3612 10.3621 k = 0.2304 0.5417-0.0000 ( 3335 PWs) bands (ev): -33.3066 -33.3066 -33.2886 -33.2886 -14.6299 -14.6299 -14.5774 -14.5774 -14.2779 -14.2779 -14.2318 -14.2318 -14.1867 -14.1867 -14.1358 -14.1358 -1.9789 -1.9789 2.6949 2.6949 3.4295 3.4295 5.7921 5.7921 6.1961 6.1961 6.2619 6.2619 8.9668 8.9668 9.4802 9.4802 9.8343 9.8343 10.3129 10.3129 k = 0.2376 0.5586-0.0000 ( 3345 PWs) bands (ev): -33.3063 -33.3063 -33.2889 -33.2889 -14.6290 -14.6290 -14.5787 -14.5787 -14.2767 -14.2767 -14.2328 -14.2328 -14.1863 -14.1863 -14.1367 -14.1367 -1.9698 -1.9698 2.6740 2.6740 3.4276 3.4276 5.7884 5.7884 6.2080 6.2080 6.2823 6.2823 8.9848 8.9848 9.4721 9.4721 9.7662 9.7662 10.2652 10.2652 k = 0.2448 0.5756-0.0000 ( 3341 PWs) bands (ev): -33.3060 -33.3060 -33.2892 -33.2892 -14.6280 -14.6280 -14.5799 -14.5799 -14.2755 -14.2755 -14.2337 -14.2337 -14.1858 -14.1858 -14.1376 -14.1376 -1.9624 -1.9624 2.6495 2.6495 3.4311 3.4311 5.7856 5.7856 6.2277 6.2277 6.3027 6.3027 8.9963 8.9963 9.4670 9.4670 9.6990 9.6990 10.2222 10.2222 k = 0.2520 0.5925-0.0000 ( 3357 PWs) bands (ev): -33.3056 -33.3056 -33.2895 -33.2895 -14.6270 -14.6270 -14.5811 -14.5811 -14.2743 -14.2743 -14.2346 -14.2346 -14.1854 -14.1854 -14.1386 -14.1386 -1.9566 -1.9566 2.6216 2.6216 3.4400 3.4400 5.7834 5.7834 6.2549 6.2549 6.3231 6.3231 9.0007 9.0007 9.4648 9.4648 9.6326 9.6326 10.1847 10.1847 k = 0.2592 0.6094-0.0000 ( 3357 PWs) bands (ev): -33.3053 -33.3053 -33.2898 -33.2898 -14.6260 -14.6260 -14.5821 -14.5821 -14.2731 -14.2731 -14.2354 -14.2354 -14.1849 -14.1849 -14.1396 -14.1396 -1.9526 -1.9526 2.5906 2.5906 3.4541 3.4541 5.7821 5.7821 6.2895 6.2895 6.3436 6.3436 8.9975 8.9975 9.4654 9.4654 9.5671 9.5671 10.1534 10.1534 k = 0.2664 0.6263-0.0000 ( 3365 PWs) bands (ev): -33.3050 -33.3050 -33.2902 -33.2902 -14.6250 -14.6250 -14.5831 -14.5831 -14.2718 -14.2718 -14.2363 -14.2363 -14.1844 -14.1844 -14.1405 -14.1405 -1.9502 -1.9502 2.5567 2.5567 3.4736 3.4736 5.7815 5.7815 6.3311 6.3311 6.3641 6.3641 8.9867 8.9867 9.4689 9.4689 9.5027 9.5027 10.1287 10.1287 k = 0.2736 0.6433-0.0000 ( 3367 PWs) bands (ev): -33.3047 -33.3047 -33.2905 -33.2905 -14.6239 -14.6239 -14.5840 -14.5840 -14.2706 -14.2706 -14.2370 -14.2370 -14.1838 -14.1838 -14.1415 -14.1415 -1.9494 -1.9494 2.5203 2.5203 3.4983 3.4983 5.7816 5.7816 6.3769 6.3769 6.3872 6.3872 8.9685 8.9685 9.4388 9.4388 9.4756 9.4756 10.1107 10.1107 k = 0.2808 0.6602-0.0000 ( 3359 PWs) bands (ev): -33.3044 -33.3044 -33.2908 -33.2908 -14.6228 -14.6228 -14.5848 -14.5848 -14.2693 -14.2693 -14.2376 -14.2376 -14.1832 -14.1832 -14.1425 -14.1425 -1.9503 -1.9503 2.4817 2.4817 3.5283 3.5283 5.7826 5.7826 6.4029 6.4029 6.4366 6.4366 8.9433 8.9433 9.3762 9.3762 9.4848 9.4848 10.0992 10.0992 k = 0.2880 0.6771-0.0000 ( 3359 PWs) bands (ev): -33.3041 -33.3041 -33.2911 -33.2911 -14.6216 -14.6216 -14.5855 -14.5855 -14.2680 -14.2680 -14.2382 -14.2382 -14.1827 -14.1827 -14.1435 -14.1435 -1.9528 -1.9528 2.4413 2.4413 3.5633 3.5633 5.7843 5.7843 6.4231 6.4231 6.4977 6.4977 8.9121 8.9121 9.3144 9.3144 9.4969 9.4969 10.0935 10.0935 k = 0.2952 0.6941-0.0000 ( 3363 PWs) bands (ev): -33.3039 -33.3039 -33.2914 -33.2914 -14.6205 -14.6205 -14.5861 -14.5861 -14.2668 -14.2668 -14.2388 -14.2388 -14.1821 -14.1821 -14.1445 -14.1445 -1.9567 -1.9567 2.3994 2.3994 3.6033 3.6033 5.7867 5.7867 6.4429 6.4429 6.5649 6.5649 8.8757 8.8757 9.2533 9.2533 9.5118 9.5118 10.0930 10.0930 k = 0.2952 0.6941-0.0000 ( 3363 PWs) bands (ev): -33.3039 -33.3039 -33.2914 -33.2914 -14.6205 -14.6205 -14.5861 -14.5861 -14.2668 -14.2668 -14.2388 -14.2388 -14.1821 -14.1821 -14.1445 -14.1445 -1.9567 -1.9567 2.3994 2.3994 3.6033 3.6033 5.7867 5.7867 6.4429 6.4429 6.5649 6.5649 8.8757 8.8757 9.2533 9.2533 9.5118 9.5118 10.0930 10.0930 k = 0.2768 0.6941-0.0000 ( 3361 PWs) bands (ev): -33.3040 -33.3040 -33.2913 -33.2913 -14.6210 -14.6210 -14.5859 -14.5859 -14.2674 -14.2674 -14.2385 -14.2385 -14.1824 -14.1824 -14.1441 -14.1441 -1.9551 -1.9551 2.4158 2.4158 3.5888 3.5888 5.7858 5.7858 6.4008 6.4008 6.5705 6.5705 8.8892 8.8892 9.2761 9.2761 9.5048 9.5048 10.0988 10.0988 k = 0.2583 0.6941-0.0000 ( 3361 PWs) bands (ev): -33.3041 -33.3041 -33.2911 -33.2911 -14.6215 -14.6215 -14.5855 -14.5855 -14.2681 -14.2681 -14.2380 -14.2380 -14.1827 -14.1827 -14.1436 -14.1436 -1.9540 -1.9540 2.4315 2.4315 3.5789 3.5789 5.7850 5.7850 6.3251 6.3251 6.6073 6.6073 8.8998 8.8998 9.2956 9.2956 9.4966 9.4966 10.1184 10.1184 k = 0.2399 0.6941-0.0000 ( 3364 PWs) bands (ev): -33.3043 -33.3043 -33.2910 -33.2910 -14.6220 -14.6220 -14.5852 -14.5852 -14.2689 -14.2689 -14.2374 -14.2374 -14.1831 -14.1831 -14.1431 -14.1431 -1.9533 -1.9533 2.4460 2.4460 3.5739 3.5739 5.7844 5.7844 6.2423 6.2423 6.6493 6.6493 8.9081 8.9081 9.3102 9.3102 9.4873 9.4873 10.1520 10.1520 k = 0.2214 0.6941-0.0000 ( 3364 PWs) bands (ev): -33.3044 -33.3044 -33.2908 -33.2908 -14.6226 -14.6226 -14.5848 -14.5848 -14.2699 -14.2699 -14.2366 -14.2366 -14.1835 -14.1835 -14.1426 -14.1426 -1.9530 -1.9530 2.4591 2.4591 3.5736 3.5736 5.7840 5.7840 6.1582 6.1582 6.6912 6.6912 8.9146 8.9146 9.3197 9.3197 9.4771 9.4771 10.1990 10.1990 k = 0.2030 0.6941-0.0000 ( 3369 PWs) bands (ev): -33.3046 -33.3046 -33.2906 -33.2906 -14.6231 -14.6231 -14.5844 -14.5844 -14.2708 -14.2708 -14.2358 -14.2358 -14.1840 -14.1840 -14.1420 -14.1420 -1.9529 -1.9529 2.4704 2.4704 3.5781 3.5781 5.7838 5.7838 6.0750 6.0750 6.7313 6.7313 8.9200 8.9200 9.3244 9.3244 9.4662 9.4662 10.2577 10.2577 k = 0.1845 0.6941-0.0000 ( 3370 PWs) bands (ev): -33.3048 -33.3048 -33.2904 -33.2904 -14.6236 -14.6236 -14.5841 -14.5841 -14.2717 -14.2717 -14.2350 -14.2350 -14.1845 -14.1845 -14.1415 -14.1415 -1.9531 -1.9531 2.4798 2.4798 3.5870 3.5870 5.7836 5.7836 5.9938 5.9938 6.7689 6.7689 8.9245 8.9245 9.3253 9.3253 9.4549 9.4549 10.3260 10.3260 k = 0.1661 0.6941-0.0000 ( 3367 PWs) bands (ev): -33.3049 -33.3049 -33.2903 -33.2903 -14.6241 -14.6241 -14.5837 -14.5837 -14.2727 -14.2727 -14.2341 -14.2341 -14.1850 -14.1850 -14.1410 -14.1410 -1.9535 -1.9535 2.4875 2.4875 3.5997 3.5997 5.7835 5.7835 5.9158 5.9158 6.8037 6.8037 8.9285 8.9285 9.3234 9.3234 9.4435 9.4435 10.4017 10.4017 k = 0.1476 0.6941-0.0000 ( 3367 PWs) bands (ev): -33.3051 -33.3051 -33.2901 -33.2901 -14.6245 -14.6245 -14.5833 -14.5833 -14.2735 -14.2735 -14.2333 -14.2333 -14.1855 -14.1855 -14.1405 -14.1405 -1.9539 -1.9539 2.4934 2.4934 3.6156 3.6156 5.7830 5.7830 5.8421 5.8421 6.8352 6.8352 8.9321 8.9321 9.3199 9.3199 9.4322 9.4322 10.4821 10.4821 k = 0.1292 0.6941-0.0000 ( 3363 PWs) bands (ev): -33.3052 -33.3052 -33.2900 -33.2900 -14.6249 -14.6249 -14.5830 -14.5830 -14.2743 -14.2743 -14.2325 -14.2325 -14.1860 -14.1860 -14.1400 -14.1400 -1.9544 -1.9544 2.4979 2.4979 3.6337 3.6337 5.7684 5.7684 5.7877 5.7877 6.8634 6.8634 8.9353 8.9353 9.3155 9.3155 9.4216 9.4216 10.5647 10.5647 k = 0.1107 0.6941-0.0000 ( 3359 PWs) bands (ev): -33.3054 -33.3054 -33.2898 -33.2898 -14.6253 -14.6253 -14.5827 -14.5827 -14.2750 -14.2750 -14.2317 -14.2317 -14.1864 -14.1864 -14.1396 -14.1396 -1.9550 -1.9550 2.5010 2.5010 3.6529 3.6529 5.7081 5.7081 5.7851 5.7851 6.8881 6.8881 8.9382 8.9382 9.3110 9.3110 9.4117 9.4117 10.6454 10.6454 k = 0.0923 0.6941-0.0000 ( 3359 PWs) bands (ev): -33.3055 -33.3055 -33.2897 -33.2897 -14.6256 -14.6256 -14.5825 -14.5825 -14.2757 -14.2757 -14.2311 -14.2311 -14.1868 -14.1868 -14.1392 -14.1392 -1.9555 -1.9555 2.5031 2.5031 3.6722 3.6722 5.6524 5.6524 5.7850 5.7850 6.9091 6.9091 8.9408 8.9408 9.3067 9.3067 9.4028 9.4028 10.7152 10.7153 k = 0.0738 0.6941-0.0000 ( 3357 PWs) bands (ev): -33.3056 -33.3056 -33.2896 -33.2896 -14.6258 -14.6258 -14.5823 -14.5823 -14.2762 -14.2762 -14.2305 -14.2305 -14.1871 -14.1871 -14.1389 -14.1389 -1.9560 -1.9560 2.5044 2.5044 3.6902 3.6902 5.6046 5.6046 5.7850 5.7850 6.9263 6.9263 8.9431 8.9431 9.3029 9.3029 9.3953 9.3953 10.7577 10.7579 k = 0.0554 0.6941-0.0000 ( 3356 PWs) bands (ev): -33.3056 -33.3056 -33.2895 -33.2895 -14.6260 -14.6260 -14.5822 -14.5822 -14.2766 -14.2766 -14.2300 -14.2300 -14.1874 -14.1874 -14.1387 -14.1387 -1.9564 -1.9564 2.5051 2.5051 3.7057 3.7057 5.5660 5.5660 5.7852 5.7852 6.9397 6.9397 8.9449 8.9449 9.2999 9.2999 9.3892 9.3892 10.7739 10.7813 k = 0.0369 0.6941-0.0000 ( 3362 PWs) bands (ev): -33.3057 -33.3057 -33.2895 -33.2895 -14.6262 -14.6262 -14.5821 -14.5821 -14.2769 -14.2769 -14.2297 -14.2297 -14.1876 -14.1876 -14.1385 -14.1385 -1.9568 -1.9568 2.5055 2.5055 3.7177 3.7177 5.5376 5.5376 5.7853 5.7853 6.9494 6.9494 8.9462 8.9462 9.2977 9.2977 9.3847 9.3847 10.7830 10.7893 k = 0.0185 0.6941-0.0000 ( 3366 PWs) bands (ev): -33.3057 -33.3057 -33.2894 -33.2894 -14.6262 -14.6262 -14.5820 -14.5820 -14.2771 -14.2771 -14.2295 -14.2295 -14.1878 -14.1878 -14.1384 -14.1384 -1.9570 -1.9570 2.5057 2.5057 3.7253 3.7253 5.5203 5.5203 5.7853 5.7853 6.9552 6.9552 8.9470 8.9470 9.2964 9.2964 9.3820 9.3820 10.7874 10.7963 k = 0.0000 0.6941-0.0000 ( 3368 PWs) bands (ev): -33.3058 -33.3058 -33.2894 -33.2894 -14.6263 -14.6263 -14.5820 -14.5820 -14.2772 -14.2772 -14.2295 -14.2295 -14.1878 -14.1878 -14.1384 -14.1384 -1.9570 -1.9570 2.5057 2.5057 3.7279 3.7279 5.5144 5.5144 5.7853 5.7853 6.9571 6.9571 8.9473 8.9473 9.2959 9.2959 9.3811 9.3811 10.7905 10.8001 k = 0.0000 0.6941-0.0000 ( 3368 PWs) bands (ev): -33.3058 -33.3058 -33.2894 -33.2894 -14.6263 -14.6263 -14.5820 -14.5820 -14.2772 -14.2772 -14.2295 -14.2295 -14.1878 -14.1878 -14.1384 -14.1384 -1.9570 -1.9570 2.5057 2.5057 3.7279 3.7279 5.5144 5.5144 5.7853 5.7853 6.9571 6.9571 8.9473 8.9473 9.2959 9.2959 9.3811 9.3811 10.7921 10.7966 k = 0.0000 0.6941 0.0182 ( 3366 PWs) bands (ev): -33.3057 -33.3057 -33.2894 -33.2894 -14.6263 -14.6263 -14.5820 -14.5820 -14.2772 -14.2772 -14.2295 -14.2295 -14.1879 -14.1879 -14.1385 -14.1385 -1.9558 -1.9558 2.5055 2.5055 3.7288 3.7288 5.5155 5.5155 5.7764 5.7764 6.9563 6.9563 8.9589 8.9589 9.2959 9.2959 9.3760 9.3760 10.7855 10.7864 k = 0.0000 0.6941 0.0365 ( 3362 PWs) bands (ev): -33.3057 -33.3057 -33.2894 -33.2894 -14.6262 -14.6262 -14.5821 -14.5821 -14.2772 -14.2772 -14.2295 -14.2295 -14.1881 -14.1881 -14.1387 -14.1387 -1.9521 -1.9521 2.5050 2.5050 3.7313 3.7313 5.5189 5.5189 5.7501 5.7501 6.9538 6.9538 8.9934 8.9934 9.2959 9.2959 9.3607 9.3607 10.7770 10.7777 k = 0.0000 0.6941 0.0547 ( 3358 PWs) bands (ev): -33.3056 -33.3056 -33.2894 -33.2894 -14.6262 -14.6262 -14.5822 -14.5822 -14.2773 -14.2773 -14.2295 -14.2295 -14.1884 -14.1884 -14.1391 -14.1391 -1.9461 -1.9461 2.5040 2.5040 3.7356 3.7356 5.5245 5.5245 5.7078 5.7078 6.9496 6.9496 9.0485 9.0485 9.2966 9.2966 9.3357 9.3357 10.7630 10.7631 k = 0.0000 0.6941 0.0730 ( 3362 PWs) bands (ev): -33.3055 -33.3055 -33.2894 -33.2894 -14.6262 -14.6262 -14.5824 -14.5824 -14.2775 -14.2775 -14.2295 -14.2295 -14.1889 -14.1889 -14.1396 -14.1396 -1.9375 -1.9375 2.5024 2.5024 3.7414 3.7414 5.5322 5.5322 5.6517 5.6517 6.9436 6.9436 9.1200 9.1200 9.2976 9.2976 9.3042 9.3042 10.7448 10.7448 k = 0.0000 0.6941 0.0912 ( 3358 PWs) bands (ev): -33.3054 -33.3054 -33.2894 -33.2894 -14.6261 -14.6261 -14.5826 -14.5826 -14.2777 -14.2777 -14.2296 -14.2296 -14.1895 -14.1895 -14.1403 -14.1403 -1.9266 -1.9266 2.5000 2.5000 3.7489 3.7489 5.5414 5.5414 5.5848 5.5848 6.9359 6.9359 9.1956 9.1956 9.2590 9.2590 9.3169 9.3169 10.7234 10.7234 k = 0.0000 0.6941 0.1094 ( 3362 PWs) bands (ev): -33.3052 -33.3052 -33.2894 -33.2894 -14.6261 -14.6261 -14.5829 -14.5829 -14.2779 -14.2779 -14.2296 -14.2296 -14.1903 -14.1903 -14.1411 -14.1411 -1.9132 -1.9132 2.4965 2.4965 3.7580 3.7580 5.5064 5.5064 5.5553 5.5553 6.9263 6.9263 9.2093 9.2093 9.2412 9.2412 9.3774 9.3774 10.6997 10.6997 k = 0.0000 0.6941 0.1277 ( 3364 PWs) bands (ev): -33.3051 -33.3051 -33.2894 -33.2894 -14.6260 -14.6260 -14.5832 -14.5832 -14.2782 -14.2782 -14.2297 -14.2297 -14.1911 -14.1911 -14.1421 -14.1421 -1.8973 -1.8973 2.4916 2.4916 3.7686 3.7686 5.4244 5.4244 5.5687 5.5687 6.9148 6.9148 9.1538 9.1538 9.2512 9.2512 9.4845 9.4845 10.6745 10.6745 k = 0.0000 0.6941 0.1459 ( 3364 PWs) bands (ev): -33.3049 -33.3049 -33.2893 -33.2893 -14.6260 -14.6260 -14.5836 -14.5836 -14.2785 -14.2785 -14.2298 -14.2298 -14.1921 -14.1921 -14.1432 -14.1432 -1.8791 -1.8791 2.4848 2.4848 3.7806 3.7806 5.3381 5.3381 5.5843 5.5843 6.9013 6.9013 9.0930 9.0930 9.2498 9.2498 9.6119 9.6119 10.6485 10.6485 k = 0.0000 0.6941 0.1642 ( 3364 PWs) bands (ev): -33.3046 -33.3046 -33.2893 -33.2893 -14.6259 -14.6259 -14.5840 -14.5840 -14.2788 -14.2788 -14.2299 -14.2299 -14.1932 -14.1932 -14.1444 -14.1444 -1.8584 -1.8584 2.4758 2.4758 3.7939 3.7939 5.2503 5.2503 5.6016 5.6016 6.8857 6.8857 9.0279 9.0279 9.2441 9.2441 9.7498 9.7498 10.6224 10.6224 k = 0.0000 0.6941 0.1824 ( 3362 PWs) bands (ev): -33.3044 -33.3044 -33.2893 -33.2893 -14.6258 -14.6258 -14.5846 -14.5846 -14.2792 -14.2792 -14.2300 -14.2300 -14.1943 -14.1943 -14.1457 -14.1457 -1.8353 -1.8353 2.4640 2.4640 3.8084 3.8084 5.1631 5.1631 5.6205 5.6205 6.8680 6.8680 8.9595 8.9595 9.2359 9.2359 9.8940 9.8940 10.5968 10.5968 k = 0.0000 0.6941 0.2007 ( 3358 PWs) bands (ev): -33.3041 -33.3041 -33.2892 -33.2892 -14.6257 -14.6257 -14.5851 -14.5851 -14.2795 -14.2795 -14.2302 -14.2302 -14.1955 -14.1955 -14.1471 -14.1471 -1.8098 -1.8098 2.4488 2.4488 3.8239 3.8239 5.0785 5.0785 5.6407 5.6407 6.8480 6.8480 8.8884 8.8884 9.2255 9.2255 10.0417 10.0417 10.5721 10.5721 k = 0.0000 0.6941 0.2189 ( 3352 PWs) bands (ev): -33.3038 -33.3038 -33.2892 -33.2892 -14.6256 -14.6256 -14.5857 -14.5857 -14.2799 -14.2799 -14.2303 -14.2303 -14.1968 -14.1968 -14.1486 -14.1486 -1.7818 -1.7818 2.4295 2.4295 3.8404 3.8404 4.9982 4.9982 5.6619 5.6619 6.8259 6.8259 8.8154 8.8154 9.2131 9.2131 10.1902 10.1902 10.5487 10.5487 k = 0.0000 0.6941 0.2371 ( 3352 PWs) bands (ev): -33.3035 -33.3035 -33.2892 -33.2892 -14.6255 -14.6255 -14.5864 -14.5864 -14.2803 -14.2803 -14.2305 -14.2305 -14.1981 -14.1981 -14.1502 -14.1502 -1.7514 -1.7514 2.4054 2.4054 3.8576 3.8576 4.9239 4.9239 5.6837 5.6837 6.8017 6.8017 8.7412 8.7412 9.1987 9.1987 10.3367 10.3367 10.5272 10.5272 k = 0.0000 0.6941 0.2554 ( 3354 PWs) bands (ev): -33.3032 -33.3032 -33.2892 -33.2892 -14.6254 -14.6254 -14.5871 -14.5871 -14.2808 -14.2808 -14.2308 -14.2308 -14.1995 -14.1995 -14.1518 -14.1518 -1.7187 -1.7187 2.3761 2.3761 3.8754 3.8754 4.8571 4.8571 5.7060 5.7060 6.7753 6.7753 8.6664 8.6664 9.1823 9.1823 10.4780 10.4780 10.5079 10.5079 k = 0.0000 0.6941 0.2736 ( 3360 PWs) bands (ev): -33.3028 -33.3028 -33.2891 -33.2891 -14.6254 -14.6254 -14.5879 -14.5879 -14.2812 -14.2812 -14.2311 -14.2311 -14.2008 -14.2008 -14.1535 -14.1535 -1.6835 -1.6835 2.3407 2.3407 3.8936 3.8936 4.7989 4.7989 5.7282 5.7282 6.7470 6.7470 8.5913 8.5913 9.1637 9.1637 10.4913 10.4913 10.6102 10.6102 k = 0.0000 0.6941 0.2919 ( 3358 PWs) bands (ev): -33.3025 -33.3025 -33.2891 -33.2891 -14.6253 -14.6253 -14.5888 -14.5888 -14.2816 -14.2816 -14.2315 -14.2315 -14.2022 -14.2022 -14.1553 -14.1553 -1.6459 -1.6459 2.2990 2.2990 3.9122 3.9122 4.7505 4.7505 5.7498 5.7498 6.7170 6.7170 8.5166 8.5166 9.1431 9.1431 10.4776 10.4776 10.7268 10.7268 k = 0.0000 0.6941 0.3101 ( 3362 PWs) bands (ev): -33.3021 -33.3021 -33.2891 -33.2891 -14.6252 -14.6252 -14.5897 -14.5897 -14.2820 -14.2820 -14.2320 -14.2320 -14.2035 -14.2035 -14.1571 -14.1571 -1.6059 -1.6059 2.2505 2.2505 3.9311 3.9311 4.7125 4.7125 5.7702 5.7702 6.6856 6.6856 8.4426 8.4426 9.1203 9.1203 10.4671 10.4671 10.8183 10.8183 k = 0.0000 0.6941 0.3283 ( 3360 PWs) bands (ev): -33.3017 -33.3017 -33.2891 -33.2891 -14.6251 -14.6251 -14.5907 -14.5907 -14.2823 -14.2823 -14.2327 -14.2327 -14.2047 -14.2047 -14.1589 -14.1589 -1.5635 -1.5635 2.1952 2.1952 3.9505 3.9505 4.6852 4.6852 5.7888 5.7888 6.6532 6.6532 8.3698 8.3698 9.0952 9.0952 10.4601 10.4601 10.8782 10.8782 k = 0.0000 0.6941 0.3466 ( 3364 PWs) bands (ev): -33.3013 -33.3013 -33.2891 -33.2891 -14.6251 -14.6251 -14.5917 -14.5917 -14.2827 -14.2827 -14.2334 -14.2334 -14.2058 -14.2058 -14.1607 -14.1607 -1.5187 -1.5187 2.1330 2.1330 3.9704 3.9704 4.6686 4.6686 5.8046 5.8046 6.6203 6.6203 8.2986 8.2986 9.0680 9.0680 10.4569 10.4569 10.9163 10.9163 k = 0.0000 0.6941 0.3648 ( 3358 PWs) bands (ev): -33.3009 -33.3009 -33.2891 -33.2891 -14.6250 -14.6250 -14.5928 -14.5928 -14.2830 -14.2830 -14.2342 -14.2342 -14.2067 -14.2067 -14.1626 -14.1626 -1.4716 -1.4716 2.0643 2.0643 3.9912 3.9912 4.6624 4.6624 5.8167 5.8167 6.5876 6.5876 8.2295 8.2295 9.0385 9.0385 10.4575 10.4575 10.9451 10.9451 k = 0.0000 0.6941 0.3831 ( 3362 PWs) bands (ev): -33.3004 -33.3004 -33.2891 -33.2891 -14.6249 -14.6249 -14.5939 -14.5939 -14.2832 -14.2832 -14.2353 -14.2353 -14.2076 -14.2076 -14.1645 -14.1645 -1.4220 -1.4220 1.9894 1.9894 4.0134 4.0134 4.6658 4.6658 5.8242 5.8242 6.5557 6.5557 8.1630 8.1630 9.0068 9.0068 10.4620 10.4620 10.9703 10.9703 k = 0.0000 0.6941 0.4013 ( 3362 PWs) bands (ev): -33.3000 -33.3000 -33.2891 -33.2891 -14.6248 -14.6248 -14.5951 -14.5951 -14.2834 -14.2834 -14.2364 -14.2364 -14.2082 -14.2082 -14.1663 -14.1663 -1.3702 -1.3702 1.9089 1.9089 4.0372 4.0372 4.6780 4.6780 5.8260 5.8260 6.5251 6.5251 8.0996 8.0996 8.9729 8.9729 10.4705 10.4705 10.9938 10.9938 k = 0.0000 0.6941 0.4196 ( 3366 PWs) bands (ev): -33.2996 -33.2996 -33.2892 -33.2892 -14.6248 -14.6248 -14.5963 -14.5963 -14.2836 -14.2836 -14.2378 -14.2378 -14.2087 -14.2087 -14.1682 -14.1682 -1.3159 -1.3159 1.8235 1.8235 4.0630 4.0630 4.6981 4.6981 5.8211 5.8211 6.4964 6.4964 8.0400 8.0400 8.9370 8.9370 10.4830 10.4830 11.0160 11.0160 k = 0.0000 0.6941 0.4378 ( 3368 PWs) bands (ev): -33.2991 -33.2991 -33.2892 -33.2892 -14.6247 -14.6247 -14.5976 -14.5976 -14.2836 -14.2836 -14.2393 -14.2393 -14.2090 -14.2090 -14.1700 -14.1700 -1.2594 -1.2594 1.7338 1.7338 4.0912 4.0912 4.7252 4.7252 5.8089 5.8089 6.4698 6.4698 7.9848 7.9848 8.8989 8.8989 10.4993 10.4993 11.0365 11.0365 k = 0.0000 0.6941 0.4560 ( 3366 PWs) bands (ev): -33.2987 -33.2987 -33.2893 -33.2893 -14.6246 -14.6246 -14.5988 -14.5988 -14.2836 -14.2836 -14.2409 -14.2409 -14.2092 -14.2092 -14.1719 -14.1719 -1.2005 -1.2005 1.6404 1.6404 4.1219 4.1219 4.7584 4.7584 5.7890 5.7890 6.4449 6.4449 7.9348 7.9348 8.8589 8.8589 10.5193 10.5193 11.0546 11.0546 k = 0.0000 0.6941 0.4743 ( 3370 PWs) bands (ev): -33.2982 -33.2982 -33.2893 -33.2893 -14.6245 -14.6245 -14.6001 -14.6001 -14.2835 -14.2835 -14.2426 -14.2426 -14.2092 -14.2092 -14.1737 -14.1737 -1.1393 -1.1393 1.5441 1.5441 4.1552 4.1552 4.7970 4.7970 5.7615 5.7615 6.4211 6.4211 7.8907 7.8907 8.8171 8.8171 10.5428 10.5428 11.0695 11.0696 k = 0.0000 0.6941 0.4925 ( 3366 PWs) bands (ev): -33.2977 -33.2977 -33.2894 -33.2894 -14.6243 -14.6243 -14.6014 -14.6014 -14.2833 -14.2833 -14.2444 -14.2444 -14.2090 -14.2090 -14.1755 -14.1755 -1.0757 -1.0757 1.4454 1.4454 4.1911 4.1911 4.8402 4.8402 5.7270 5.7270 6.3973 6.3973 7.8533 7.8533 8.7735 8.7735 10.5695 10.5695 11.0809 11.0809 k = 0.0000 0.6941 0.5108 ( 3374 PWs) bands (ev): -33.2973 -33.2973 -33.2895 -33.2895 -14.6242 -14.6242 -14.6028 -14.6028 -14.2831 -14.2831 -14.2463 -14.2463 -14.2088 -14.2088 -14.1773 -14.1773 -1.0100 -1.0100 1.3450 1.3450 4.2297 4.2297 4.8876 4.8876 5.6861 5.6861 6.3723 6.3723 7.8233 7.8233 8.7283 8.7283 10.5990 10.5990 11.0889 11.0889 k = 0.0000 0.6941 0.5290 ( 3374 PWs) bands (ev): -33.2969 -33.2969 -33.2896 -33.2896 -14.6240 -14.6240 -14.6041 -14.6041 -14.2827 -14.2827 -14.2482 -14.2482 -14.2084 -14.2084 -14.1791 -14.1791 -0.9419 -0.9419 1.2432 1.2432 4.2708 4.2708 4.9386 4.9386 5.6399 5.6399 6.3447 6.3447 7.8013 7.8013 8.6815 8.6815 10.6311 10.6311 11.0941 11.0941 k = 0.0000 0.6941 0.5472 ( 3378 PWs) bands (ev): -33.2964 -33.2964 -33.2897 -33.2897 -14.6238 -14.6238 -14.6055 -14.6055 -14.2823 -14.2823 -14.2502 -14.2502 -14.2079 -14.2079 -14.1808 -14.1808 -0.8716 -0.8716 1.1406 1.1406 4.3143 4.3143 4.9928 4.9928 5.5892 5.5892 6.3135 6.3135 7.7874 7.7874 8.6335 8.6335 10.6653 10.6653 11.0972 11.0972 k = 0.0000 0.6941 0.5655 ( 3376 PWs) bands (ev): -33.2960 -33.2960 -33.2899 -33.2899 -14.6235 -14.6235 -14.6068 -14.6068 -14.2817 -14.2817 -14.2522 -14.2522 -14.2073 -14.2073 -14.1825 -14.1825 -0.7991 -0.7991 1.0375 1.0375 4.3602 4.3602 5.0498 5.0498 5.5349 5.5349 6.2781 6.2781 7.7819 7.7819 8.5842 8.5842 10.7010 10.7010 11.0987 11.0987 k = 0.0000 0.6941 0.5837 ( 3378 PWs) bands (ev): -33.2955 -33.2955 -33.2900 -33.2900 -14.6232 -14.6232 -14.6081 -14.6081 -14.2810 -14.2810 -14.2542 -14.2542 -14.2066 -14.2066 -14.1842 -14.1842 -0.7245 -0.7245 0.9343 0.9343 4.4083 4.4083 5.1093 5.1093 5.4777 5.4777 6.2378 6.2378 7.7845 7.7845 8.5339 8.5339 10.7378 10.7378 11.0989 11.0989 k = 0.0000 0.6941 0.6020 ( 3374 PWs) bands (ev): -33.2951 -33.2951 -33.2902 -33.2902 -14.6228 -14.6228 -14.6093 -14.6093 -14.2802 -14.2802 -14.2562 -14.2562 -14.2058 -14.2058 -14.1858 -14.1858 -0.6476 -0.6476 0.8313 0.8313 4.4584 4.4584 5.1709 5.1709 5.4184 5.4184 6.1928 6.1928 7.7947 7.7947 8.4828 8.4828 10.7751 10.7751 11.0977 11.0977 k = 0.0000 0.6941 0.6202 ( 3380 PWs) bands (ev): -33.2947 -33.2947 -33.2904 -33.2904 -14.6225 -14.6225 -14.6106 -14.6106 -14.2794 -14.2794 -14.2581 -14.2581 -14.2050 -14.2050 -14.1874 -14.1874 -0.5686 -0.5686 0.7287 0.7287 4.5105 4.5105 5.2344 5.2344 5.3575 5.3575 6.1432 6.1432 7.8121 7.8121 8.4310 8.4310 10.8123 10.8123 11.0953 11.0953 k = 0.0000 0.6941 0.6385 ( 3382 PWs) bands (ev): -33.2943 -33.2943 -33.2906 -33.2906 -14.6220 -14.6220 -14.6118 -14.6118 -14.2784 -14.2784 -14.2601 -14.2601 -14.2041 -14.2041 -14.1889 -14.1889 -0.4876 -0.4876 0.6269 0.6269 4.5643 4.5643 5.2935 5.2935 5.3014 5.3014 6.0893 6.0893 7.8359 7.8359 8.3788 8.3788 10.8487 10.8487 11.0914 11.0914 k = 0.0000 0.6941 0.6567 ( 3384 PWs) bands (ev): -33.2939 -33.2939 -33.2908 -33.2908 -14.6215 -14.6215 -14.6130 -14.6130 -14.2773 -14.2773 -14.2620 -14.2620 -14.2031 -14.2031 -14.1904 -14.1904 -0.4045 -0.4045 0.5259 0.5259 4.6198 4.6198 5.2323 5.2323 5.3661 5.3661 6.0318 6.0318 7.8653 7.8653 8.3264 8.3264 10.8837 10.8837 11.0858 11.0858 k = 0.0000 0.6941 0.6749 ( 3386 PWs) bands (ev): -33.2935 -33.2935 -33.2911 -33.2911 -14.6210 -14.6210 -14.6141 -14.6141 -14.2762 -14.2762 -14.2638 -14.2638 -14.2021 -14.2021 -14.1919 -14.1919 -0.3194 -0.3194 0.4261 0.4261 4.6768 4.6768 5.1690 5.1690 5.4336 5.4336 5.9711 5.9711 7.8995 7.8995 8.2741 8.2741 10.9168 10.9168 11.0782 11.0782 k = 0.0000 0.6941 0.6932 ( 3382 PWs) bands (ev): -33.2932 -33.2932 -33.2913 -33.2913 -14.6203 -14.6203 -14.6152 -14.6152 -14.2749 -14.2749 -14.2656 -14.2656 -14.2010 -14.2010 -14.1933 -14.1933 -0.2323 -0.2323 0.3274 0.3274 4.7352 4.7352 5.1056 5.1056 5.5018 5.5018 5.9078 5.9078 7.9380 7.9380 8.2221 8.2221 10.9476 10.9476 11.0683 11.0683 k = 0.0000 0.6941 0.7114 ( 3388 PWs) bands (ev): -33.2928 -33.2928 -33.2916 -33.2916 -14.6196 -14.6196 -14.6162 -14.6162 -14.2736 -14.2736 -14.2674 -14.2674 -14.1999 -14.1999 -14.1948 -14.1948 -0.1433 -0.1433 0.2301 0.2301 4.7948 4.7948 5.0423 5.0423 5.5704 5.5704 5.8425 5.8425 7.9798 7.9798 8.1708 8.1708 10.9755 10.9755 11.0558 11.0558 k = 0.0000 0.6941 0.7297 ( 3384 PWs) bands (ev): -33.2925 -33.2925 -33.2919 -33.2919 -14.6188 -14.6188 -14.6171 -14.6171 -14.2721 -14.2721 -14.2690 -14.2690 -14.1986 -14.1986 -14.1961 -14.1961 -0.0525 -0.0525 0.1343 0.1343 4.8554 4.8554 4.9794 4.9794 5.6392 5.6392 5.7756 5.7756 8.0246 8.0246 8.1205 8.1205 11.0004 11.0004 11.0405 11.0405 k = 0.0000 0.6941 0.7479 ( 3380 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6180 -14.6180 -14.6180 -14.6180 -14.2706 -14.2706 -14.2706 -14.2706 -14.1974 -14.1974 -14.1974 -14.1974 0.0400 0.0400 0.0400 0.0400 4.9170 4.9170 4.9170 4.9170 5.7078 5.7078 5.7078 5.7078 8.0717 8.0717 8.0717 8.0717 11.0220 11.0220 11.0220 11.0220 k = 0.0000 0.6941 0.7479 ( 3380 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6180 -14.6180 -14.6180 -14.6180 -14.2706 -14.2706 -14.2706 -14.2706 -14.1974 -14.1974 -14.1974 -14.1974 0.0400 0.0400 0.0400 0.0400 4.9170 4.9170 4.9170 4.9170 5.7078 5.7078 5.7078 5.7078 8.0717 8.0717 8.0717 8.0717 11.0220 11.0220 11.0220 11.0220 k = 0.0185 0.6941 0.7479 ( 3388 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6183 -14.6183 -14.6178 -14.6178 -14.2726 -14.2726 -14.2686 -14.2686 -14.1991 -14.1991 -14.1957 -14.1957 0.0400 0.0400 0.0403 0.0403 4.9161 4.9161 4.9168 4.9168 5.7070 5.7070 5.7072 5.7072 8.0740 8.0740 8.0747 8.0747 11.0224 11.0224 11.0224 11.0224 k = 0.0369 0.6941 0.7479 ( 3384 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6186 -14.6186 -14.6175 -14.6175 -14.2745 -14.2745 -14.2666 -14.2666 -14.2009 -14.2009 -14.1940 -14.1940 0.0403 0.0403 0.0408 0.0408 4.9139 4.9139 4.9153 4.9153 5.7050 5.7050 5.7054 5.7054 8.0818 8.0818 8.0831 8.0831 11.0235 11.0235 11.0235 11.0235 k = 0.0554 0.6941 0.7479 ( 3382 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6189 -14.6189 -14.6173 -14.6173 -14.2764 -14.2764 -14.2645 -14.2645 -14.2026 -14.2026 -14.1923 -14.1923 0.0408 0.0408 0.0416 0.0416 4.9104 4.9104 4.9125 4.9125 5.7019 5.7019 5.7025 5.7025 8.0947 8.0947 8.0967 8.0967 11.0249 11.0249 11.0250 11.0250 k = 0.0738 0.6941 0.7479 ( 3380 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6192 -14.6192 -14.6171 -14.6171 -14.2782 -14.2782 -14.2625 -14.2625 -14.2042 -14.2042 -14.1906 -14.1906 0.0416 0.0416 0.0426 0.0426 4.9057 4.9057 4.9085 4.9085 5.6979 5.6979 5.6987 5.6987 8.1124 8.1124 8.1149 8.1149 11.0262 11.0262 11.0262 11.0262 k = 0.0923 0.6941 0.7479 ( 3378 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6195 -14.6195 -14.6169 -14.6169 -14.2798 -14.2798 -14.2605 -14.2605 -14.2059 -14.2059 -14.1891 -14.1891 0.0425 0.0425 0.0438 0.0438 4.8998 4.8998 4.9032 4.9032 5.6935 5.6935 5.6944 5.6944 8.1343 8.1343 8.1373 8.1373 11.0259 11.0259 11.0260 11.0260 k = 0.1107 0.6941 0.7479 ( 3370 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6198 -14.6198 -14.6168 -14.6168 -14.2814 -14.2814 -14.2586 -14.2586 -14.2074 -14.2074 -14.1875 -14.1875 0.0437 0.0437 0.0451 0.0451 4.8926 4.8926 4.8966 4.8966 5.6888 5.6888 5.6899 5.6899 8.1598 8.1598 8.1633 8.1633 11.0220 11.0220 11.0221 11.0221 k = 0.1292 0.6941 0.7479 ( 3370 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6202 -14.6202 -14.6167 -14.6167 -14.2829 -14.2829 -14.2568 -14.2568 -14.2088 -14.2088 -14.1861 -14.1861 0.0450 0.0450 0.0467 0.0467 4.8843 4.8843 4.8889 4.8889 5.6843 5.6843 5.6855 5.6855 8.1880 8.1880 8.1919 8.1919 11.0108 11.0108 11.0110 11.0110 k = 0.1476 0.6941 0.7479 ( 3368 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6205 -14.6205 -14.6166 -14.6166 -14.2842 -14.2842 -14.2551 -14.2551 -14.2101 -14.2101 -14.1847 -14.1847 0.0464 0.0464 0.0483 0.0483 4.8749 4.8749 4.8800 4.8800 5.6804 5.6804 5.6816 5.6816 8.2182 8.2182 8.2225 8.2225 10.9883 10.9883 10.9883 10.9883 k = 0.1661 0.6941 0.7479 ( 3366 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6208 -14.6208 -14.6165 -14.6165 -14.2855 -14.2855 -14.2536 -14.2536 -14.2113 -14.2113 -14.1835 -14.1835 0.0479 0.0479 0.0500 0.0500 4.8645 4.8645 4.8701 4.8701 5.6773 5.6773 5.6786 5.6786 8.2494 8.2494 8.2540 8.2540 10.9525 10.9525 10.9529 10.9529 k = 0.1845 0.6941 0.7479 ( 3368 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6211 -14.6211 -14.6165 -14.6165 -14.2866 -14.2866 -14.2523 -14.2523 -14.2122 -14.2122 -14.1823 -14.1823 0.0494 0.0494 0.0517 0.0517 4.8533 4.8533 4.8593 4.8593 5.6753 5.6753 5.6766 5.6766 8.2807 8.2807 8.2855 8.2855 10.9068 10.9068 10.9077 10.9077 k = 0.2030 0.6941 0.7479 ( 3364 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6213 -14.6213 -14.6165 -14.6165 -14.2875 -14.2875 -14.2512 -14.2512 -14.2130 -14.2130 -14.1813 -14.1813 0.0509 0.0509 0.0533 0.0533 4.8415 4.8415 4.8478 4.8478 5.6747 5.6747 5.6760 5.6760 8.3111 8.3111 8.3161 8.3161 10.8561 10.8561 10.8574 10.8574 k = 0.2214 0.6941 0.7479 ( 3366 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6216 -14.6216 -14.6166 -14.6166 -14.2884 -14.2884 -14.2504 -14.2504 -14.2135 -14.2135 -14.1803 -14.1803 0.0523 0.0523 0.0549 0.0549 4.8292 4.8292 4.8357 4.8357 5.6755 5.6755 5.6769 5.6769 8.3396 8.3396 8.3448 8.3448 10.8046 10.8046 10.8062 10.8062 k = 0.2399 0.6941 0.7479 ( 3370 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6218 -14.6218 -14.6166 -14.6166 -14.2891 -14.2891 -14.2498 -14.2498 -14.2137 -14.2137 -14.1795 -14.1795 0.0536 0.0536 0.0563 0.0563 4.8167 4.8167 4.8234 4.8234 5.6780 5.6780 5.6795 5.6795 8.3654 8.3654 8.3705 8.3705 10.7550 10.7550 10.7569 10.7569 k = 0.2583 0.6941 0.7479 ( 3370 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6220 -14.6220 -14.6167 -14.6167 -14.2896 -14.2896 -14.2495 -14.2495 -14.2137 -14.2137 -14.1788 -14.1788 0.0547 0.0547 0.0575 0.0575 4.8043 4.8043 4.8111 4.8111 5.6821 5.6821 5.6836 5.6836 8.3874 8.3874 8.3926 8.3926 10.7093 10.7093 10.7113 10.7113 k = 0.2768 0.6941 0.7479 ( 3370 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6221 -14.6221 -14.6168 -14.6168 -14.2900 -14.2900 -14.2495 -14.2495 -14.2135 -14.2135 -14.1782 -14.1782 0.0556 0.0556 0.0584 0.0584 4.7923 4.7923 4.7992 4.7992 5.6877 5.6877 5.6893 5.6893 8.4051 8.4051 8.4102 8.4102 10.6688 10.6688 10.6708 10.6708 k = 0.2952 0.6941 0.7479 ( 3372 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6222 -14.6222 -14.6169 -14.6169 -14.2902 -14.2902 -14.2498 -14.2498 -14.2130 -14.2130 -14.1778 -14.1778 0.0562 0.0562 0.0590 0.0590 4.7809 4.7809 4.7878 4.7878 5.6950 5.6950 5.6966 5.6966 8.4178 8.4178 8.4228 8.4228 10.6341 10.6341 10.6361 10.6361 k = 0.2952 0.6941 0.7479 ( 3372 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6222 -14.6222 -14.6169 -14.6169 -14.2902 -14.2902 -14.2498 -14.2498 -14.2130 -14.2130 -14.1778 -14.1778 0.0562 0.0562 0.0590 0.0590 4.7809 4.7809 4.7878 4.7878 5.6950 5.6950 5.6966 5.6966 8.4178 8.4178 8.4228 8.4228 10.6341 10.6341 10.6361 10.6361 k = 0.2880 0.6771 0.7479 ( 3376 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6220 -14.6220 -14.6166 -14.6166 -14.2898 -14.2898 -14.2489 -14.2489 -14.2145 -14.2145 -14.1788 -14.1788 0.0548 0.0548 0.0576 0.0576 4.8087 4.8087 4.8157 4.8157 5.6759 5.6759 5.6773 5.6773 8.3932 8.3932 8.3985 8.3985 10.7136 10.7136 10.7157 10.7157 k = 0.2808 0.6602 0.7479 ( 3372 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6218 -14.6218 -14.6164 -14.6164 -14.2893 -14.2893 -14.2479 -14.2479 -14.2159 -14.2159 -14.1798 -14.1798 0.0530 0.0530 0.0556 0.0556 4.8363 4.8363 4.8435 4.8435 5.6591 5.6591 5.6604 5.6604 8.3703 8.3703 8.3760 8.3760 10.7903 10.7903 10.7926 10.7926 k = 0.2736 0.6433 0.7479 ( 3368 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6215 -14.6215 -14.6161 -14.6161 -14.2887 -14.2887 -14.2470 -14.2470 -14.2172 -14.2172 -14.1808 -14.1808 0.0507 0.0507 0.0531 0.0531 4.8636 4.8636 4.8709 4.8709 5.6448 5.6448 5.6459 5.6459 8.3489 8.3489 8.3550 8.3550 10.8600 10.8600 10.8631 10.8631 k = 0.2664 0.6263 0.7479 ( 3368 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6213 -14.6213 -14.6159 -14.6159 -14.2881 -14.2881 -14.2460 -14.2460 -14.2186 -14.2186 -14.1818 -14.1818 0.0478 0.0478 0.0501 0.0501 4.8904 4.8904 4.8979 4.8979 5.6330 5.6330 5.6339 5.6339 8.3289 8.3289 8.3353 8.3353 10.9024 10.9024 10.9075 10.9075 k = 0.2592 0.6094 0.7479 ( 3360 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6210 -14.6210 -14.6156 -14.6156 -14.2873 -14.2873 -14.2451 -14.2451 -14.2198 -14.2198 -14.1829 -14.1829 0.0444 0.0444 0.0466 0.0466 4.9166 4.9166 4.9243 4.9243 5.6238 5.6238 5.6245 5.6245 8.3098 8.3098 8.3167 8.3167 10.8721 10.8721 10.8778 10.8778 k = 0.2520 0.5925 0.7479 ( 3360 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6206 -14.6206 -14.6153 -14.6153 -14.2865 -14.2865 -14.2442 -14.2442 -14.2211 -14.2211 -14.1840 -14.1840 0.0405 0.0405 0.0425 0.0425 4.9422 4.9422 4.9500 4.9500 5.6171 5.6171 5.6176 5.6176 8.2914 8.2914 8.2987 8.2987 10.8046 10.8046 10.8095 10.8095 k = 0.2448 0.5756 0.7479 ( 3364 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6203 -14.6203 -14.6150 -14.6150 -14.2857 -14.2857 -14.2432 -14.2432 -14.2223 -14.2223 -14.1851 -14.1851 0.0361 0.0361 0.0379 0.0379 4.9669 4.9669 4.9748 4.9748 5.6130 5.6130 5.6134 5.6134 8.2733 8.2733 8.2811 8.2811 10.7336 10.7336 10.7379 10.7379 k = 0.2376 0.5586 0.7479 ( 3364 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6200 -14.6200 -14.6147 -14.6147 -14.2847 -14.2847 -14.2423 -14.2423 -14.2235 -14.2235 -14.1862 -14.1862 0.0311 0.0311 0.0328 0.0328 4.9906 4.9906 4.9986 4.9986 5.6117 5.6117 5.6119 5.6119 8.2553 8.2553 8.2634 8.2634 10.6661 10.6661 10.6700 10.6700 k = 0.2304 0.5417 0.7479 ( 3368 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6196 -14.6196 -14.6144 -14.6144 -14.2837 -14.2837 -14.2414 -14.2414 -14.2246 -14.2246 -14.1874 -14.1874 0.0258 0.0258 0.0273 0.0273 5.0133 5.0133 5.0213 5.0213 5.6131 5.6131 5.6132 5.6132 8.2369 8.2369 8.2454 8.2454 10.6043 10.6043 10.6078 10.6078 k = 0.2232 0.5248 0.7479 ( 3368 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6192 -14.6192 -14.6141 -14.6141 -14.2827 -14.2827 -14.2405 -14.2405 -14.2257 -14.2257 -14.1885 -14.1885 0.0200 0.0200 0.0213 0.0213 5.0347 5.0347 5.0427 5.0427 5.6174 5.6174 5.6174 5.6174 8.2179 8.2179 8.2267 8.2267 10.5489 10.5489 10.5521 10.5521 k = 0.2160 0.5078 0.7479 ( 3368 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6188 -14.6188 -14.6138 -14.6138 -14.2816 -14.2816 -14.2396 -14.2396 -14.2267 -14.2267 -14.1897 -14.1897 0.0137 0.0137 0.0149 0.0149 5.0547 5.0547 5.0627 5.0627 5.6245 5.6245 5.6246 5.6246 8.1979 8.1979 8.2071 8.2071 10.5004 10.5004 10.5034 10.5034 k = 0.2088 0.4909 0.7479 ( 3368 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6184 -14.6184 -14.6134 -14.6134 -14.2804 -14.2804 -14.2387 -14.2387 -14.2277 -14.2277 -14.1909 -14.1909 0.0071 0.0071 0.0081 0.0081 5.0733 5.0733 5.0812 5.0812 5.6346 5.6346 5.6347 5.6347 8.1768 8.1768 8.1863 8.1863 10.4590 10.4590 10.4618 10.4618 k = 0.2016 0.4740 0.7479 ( 3364 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6179 -14.6179 -14.6131 -14.6131 -14.2792 -14.2792 -14.2378 -14.2378 -14.2286 -14.2286 -14.1920 -14.1920 0.0001 0.0001 0.0010 0.0010 5.0903 5.0903 5.0981 5.0981 5.6476 5.6476 5.6478 5.6478 8.1544 8.1544 8.1641 8.1641 10.4248 10.4248 10.4274 10.4274 k = 0.1944 0.4571 0.7479 ( 3356 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6174 -14.6174 -14.6127 -14.6127 -14.2779 -14.2779 -14.2369 -14.2369 -14.2295 -14.2295 -14.1932 -14.1932 -0.0072 -0.0072 -0.0065 -0.0065 5.1058 5.1058 5.1134 5.1134 5.6636 5.6636 5.6637 5.6637 8.1306 8.1306 8.1405 8.1405 10.3976 10.3976 10.4003 10.4003 k = 0.1872 0.4401 0.7479 ( 3348 PWs) bands (ev): -33.2923 -33.2923 -33.2923 -33.2923 -14.6169 -14.6169 -14.6123 -14.6123 -14.2765 -14.2765 -14.2360 -14.2360 -14.2302 -14.2302 -14.1944 -14.1944 -0.0148 -0.0148 -0.0142 -0.0142 5.1196 5.1196 5.1270 5.1270 5.6824 5.6824 5.6825 5.6825 8.1052 8.1052 8.1153 8.1153 10.3775 10.3775 10.3801 10.3801 k = 0.1800 0.4232 0.7479 ( 3348 PWs) bands (ev): -33.2923 -33.2923 -33.2923 -33.2923 -14.6164 -14.6164 -14.6120 -14.6120 -14.2752 -14.2752 -14.2352 -14.2352 -14.2310 -14.2310 -14.1955 -14.1955 -0.0226 -0.0226 -0.0222 -0.0222 5.1319 5.1319 5.1391 5.1391 5.7040 5.7040 5.7040 5.7040 8.0785 8.0785 8.0886 8.0886 10.3639 10.3639 10.3666 10.3666 k = 0.1728 0.4063 0.7479 ( 3358 PWs) bands (ev): -33.2923 -33.2923 -33.2923 -33.2923 -14.6160 -14.6160 -14.6116 -14.6116 -14.2738 -14.2738 -14.2345 -14.2345 -14.2317 -14.2317 -14.1967 -14.1967 -0.0306 -0.0306 -0.0303 -0.0303 5.1426 5.1426 5.1496 5.1496 5.7280 5.7280 5.7281 5.7281 8.0505 8.0505 8.0606 8.0606 10.3565 10.3565 10.3593 10.3593 k = 0.1656 0.3894 0.7479 ( 3362 PWs) bands (ev): -33.2923 -33.2923 -33.2923 -33.2923 -14.6155 -14.6155 -14.6113 -14.6113 -14.2724 -14.2724 -14.2340 -14.2340 -14.2321 -14.2321 -14.1979 -14.1979 -0.0388 -0.0388 -0.0387 -0.0387 5.1520 5.1520 5.1586 5.1586 5.7544 5.7544 5.7546 5.7546 8.0213 8.0213 8.0314 8.0314 10.3548 10.3548 10.3578 10.3578 k = 0.1584 0.3724 0.7479 ( 3360 PWs) bands (ev): -33.2924 -33.2924 -33.2924 -33.2924 -14.6149 -14.6149 -14.6109 -14.6109 -14.2710 -14.2710 -14.2339 -14.2339 -14.2321 -14.2321 -14.1991 -14.1991 -0.0471 -0.0471 -0.0471 -0.0471 5.1600 5.1600 5.1664 5.1664 5.7830 5.7830 5.7833 5.7833 7.9912 7.9912 8.0012 8.0012 10.3582 10.3582 10.3615 10.3615 k = 0.1512 0.3555 0.7479 ( 3356 PWs) bands (ev): -33.2924 -33.2924 -33.2924 -33.2924 -14.6144 -14.6144 -14.6106 -14.6106 -14.2695 -14.2695 -14.2342 -14.2342 -14.2316 -14.2316 -14.2002 -14.2002 -0.0555 -0.0555 -0.0555 -0.0555 5.1668 5.1668 5.1729 5.1729 5.8135 5.8135 5.8139 5.8139 7.9604 7.9604 7.9702 7.9702 10.3661 10.3661 10.3696 10.3696 k = 0.1440 0.3386 0.7479 ( 3364 PWs) bands (ev): -33.2924 -33.2924 -33.2924 -33.2924 -14.6139 -14.6139 -14.6102 -14.6102 -14.2681 -14.2681 -14.2347 -14.2347 -14.2310 -14.2310 -14.2014 -14.2014 -0.0640 -0.0640 -0.0638 -0.0638 5.1726 5.1726 5.1783 5.1783 5.8457 5.8457 5.8462 5.8462 7.9291 7.9291 7.9388 7.9388 10.3776 10.3776 10.3814 10.3814 k = 0.1368 0.3216 0.7479 ( 3364 PWs) bands (ev): -33.2925 -33.2925 -33.2925 -33.2925 -14.6134 -14.6134 -14.6099 -14.6099 -14.2666 -14.2666 -14.2352 -14.2352 -14.2303 -14.2303 -14.2025 -14.2025 -0.0724 -0.0724 -0.0722 -0.0722 5.1773 5.1773 5.1828 5.1828 5.8794 5.8794 5.8800 5.8800 7.8977 7.8977 7.9071 7.9071 10.3920 10.3920 10.3961 10.3961 k = 0.1296 0.3047 0.7479 ( 3356 PWs) bands (ev): -33.2925 -33.2925 -33.2925 -33.2925 -14.6129 -14.6129 -14.6095 -14.6095 -14.2651 -14.2651 -14.2356 -14.2356 -14.2297 -14.2297 -14.2036 -14.2036 -0.0808 -0.0808 -0.0804 -0.0804 5.1813 5.1813 5.1864 5.1864 5.9143 5.9143 5.9149 5.9149 7.8664 7.8664 7.8756 7.8756 10.4084 10.4084 10.4130 10.4130 k = 0.1224 0.2878 0.7479 ( 3364 PWs) bands (ev): -33.2925 -33.2925 -33.2925 -33.2925 -14.6124 -14.6124 -14.6092 -14.6092 -14.2636 -14.2636 -14.2360 -14.2360 -14.2291 -14.2291 -14.2048 -14.2048 -0.0890 -0.0890 -0.0886 -0.0886 5.1844 5.1844 5.1892 5.1892 5.9500 5.9500 5.9508 5.9508 7.8355 7.8355 7.8443 7.8443 10.4262 10.4262 10.4310 10.4310 k = 0.1152 0.2709 0.7479 ( 3364 PWs) bands (ev): -33.2926 -33.2926 -33.2926 -33.2926 -14.6119 -14.6119 -14.6089 -14.6089 -14.2622 -14.2622 -14.2364 -14.2364 -14.2285 -14.2285 -14.2058 -14.2058 -0.0970 -0.0970 -0.0965 -0.0965 5.1869 5.1869 5.1914 5.1914 5.9864 5.9864 5.9872 5.9872 7.8051 7.8051 7.8136 7.8136 10.4443 10.4443 10.4495 10.4495 k = 0.1080 0.2539 0.7479 ( 3356 PWs) bands (ev): -33.2926 -33.2926 -33.2926 -33.2926 -14.6114 -14.6114 -14.6086 -14.6086 -14.2607 -14.2607 -14.2368 -14.2368 -14.2279 -14.2279 -14.2069 -14.2069 -0.1047 -0.1047 -0.1043 -0.1043 5.1889 5.1889 5.1931 5.1931 6.0231 6.0231 6.0240 6.0240 7.7756 7.7756 7.7837 7.7837 10.4621 10.4621 10.4676 10.4676 k = 0.1008 0.2370 0.7479 ( 3356 PWs) bands (ev): -33.2926 -33.2926 -33.2926 -33.2926 -14.6110 -14.6110 -14.6083 -14.6083 -14.2592 -14.2592 -14.2371 -14.2371 -14.2273 -14.2273 -14.2079 -14.2079 -0.1123 -0.1123 -0.1117 -0.1117 5.1903 5.1903 5.1942 5.1942 6.0599 6.0599 6.0608 6.0608 7.7470 7.7470 7.7548 7.7548 10.4787 10.4787 10.4844 10.4844 k = 0.0936 0.2201 0.7479 ( 3352 PWs) bands (ev): -33.2926 -33.2926 -33.2926 -33.2926 -14.6105 -14.6105 -14.6080 -14.6080 -14.2578 -14.2578 -14.2374 -14.2374 -14.2268 -14.2268 -14.2090 -14.2090 -0.1194 -0.1194 -0.1189 -0.1189 5.1914 5.1914 5.1950 5.1950 6.0964 6.0964 6.0974 6.0974 7.7197 7.7197 7.7270 7.7270 10.4936 10.4936 10.4994 10.4994 k = 0.0864 0.2031 0.7479 ( 3356 PWs) bands (ev): -33.2927 -33.2927 -33.2927 -33.2927 -14.6101 -14.6101 -14.6078 -14.6078 -14.2564 -14.2564 -14.2377 -14.2377 -14.2263 -14.2263 -14.2100 -14.2100 -0.1263 -0.1263 -0.1257 -0.1257 5.1920 5.1920 5.1954 5.1954 6.1324 6.1324 6.1333 6.1333 7.6937 7.6937 7.7006 7.7006 10.5059 10.5059 10.5119 10.5119 k = 0.0792 0.1862 0.7479 ( 3360 PWs) bands (ev): -33.2927 -33.2927 -33.2927 -33.2927 -14.6097 -14.6097 -14.6076 -14.6076 -14.2550 -14.2550 -14.2381 -14.2381 -14.2258 -14.2258 -14.2110 -14.2110 -0.1327 -0.1327 -0.1322 -0.1322 5.1925 5.1925 5.1955 5.1955 6.1673 6.1673 6.1683 6.1683 7.6692 7.6692 7.6756 7.6756 10.5155 10.5155 10.5214 10.5214 k = 0.0720 0.1693 0.7479 ( 3364 PWs) bands (ev): -33.2927 -33.2927 -33.2927 -33.2927 -14.6093 -14.6093 -14.6074 -14.6074 -14.2537 -14.2537 -14.2384 -14.2384 -14.2253 -14.2253 -14.2120 -14.2120 -0.1387 -0.1387 -0.1382 -0.1382 5.1927 5.1927 5.1954 5.1954 6.2010 6.2010 6.2020 6.2020 7.6463 7.6463 7.6523 7.6523 10.5221 10.5221 10.5278 10.5278 k = 0.0648 0.1524 0.7479 ( 3356 PWs) bands (ev): -33.2927 -33.2927 -33.2927 -33.2927 -14.6089 -14.6089 -14.6072 -14.6072 -14.2524 -14.2524 -14.2387 -14.2387 -14.2248 -14.2248 -14.2129 -14.2129 -0.1443 -0.1443 -0.1438 -0.1438 5.1927 5.1927 5.1951 5.1951 6.2331 6.2331 6.2340 6.2340 7.6252 7.6252 7.6306 7.6306 10.5257 10.5257 10.5311 10.5311 k = 0.0576 0.1354 0.7479 ( 3356 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6086 -14.6086 -14.6071 -14.6071 -14.2511 -14.2511 -14.2391 -14.2391 -14.2243 -14.2243 -14.2138 -14.2138 -0.1493 -0.1493 -0.1488 -0.1488 5.1926 5.1926 5.1948 5.1948 6.2631 6.2631 6.2640 6.2640 7.6060 7.6060 7.6109 7.6109 10.5264 10.5264 10.5315 10.5315 k = 0.0504 0.1185 0.7479 ( 3356 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6083 -14.6083 -14.6069 -14.6069 -14.2499 -14.2499 -14.2394 -14.2394 -14.2238 -14.2238 -14.2147 -14.2147 -0.1538 -0.1538 -0.1534 -0.1534 5.1924 5.1924 5.1943 5.1943 6.2908 6.2908 6.2916 6.2916 7.5887 7.5887 7.5931 7.5931 10.5249 10.5249 10.5295 10.5295 k = 0.0432 0.1016 0.7479 ( 3356 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6080 -14.6080 -14.6068 -14.6068 -14.2488 -14.2488 -14.2398 -14.2398 -14.2233 -14.2233 -14.2155 -14.2155 -0.1578 -0.1578 -0.1574 -0.1574 5.1922 5.1922 5.1938 5.1938 6.3157 6.3157 6.3164 6.3164 7.5736 7.5736 7.5773 7.5773 10.5215 10.5215 10.5256 10.5256 k = 0.0360 0.0846 0.7479 ( 3360 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6077 -14.6077 -14.6068 -14.6068 -14.2477 -14.2477 -14.2403 -14.2403 -14.2228 -14.2228 -14.2164 -14.2164 -0.1611 -0.1611 -0.1608 -0.1608 5.1920 5.1920 5.1933 5.1933 6.3375 6.3375 6.3381 6.3381 7.5606 7.5606 7.5638 7.5638 10.5171 10.5171 10.5206 10.5206 k = 0.0288 0.0677 0.7479 ( 3364 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6075 -14.6075 -14.6068 -14.6068 -14.2467 -14.2467 -14.2408 -14.2408 -14.2223 -14.2223 -14.2171 -14.2171 -0.1639 -0.1639 -0.1637 -0.1637 5.1918 5.1918 5.1928 5.1928 6.3558 6.3558 6.3564 6.3564 7.5499 7.5499 7.5524 7.5524 10.5124 10.5124 10.5152 10.5152 k = 0.0216 0.0508 0.7479 ( 3364 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6073 -14.6073 -14.6067 -14.6067 -14.2457 -14.2457 -14.2413 -14.2413 -14.2217 -14.2217 -14.2179 -14.2179 -0.1661 -0.1661 -0.1659 -0.1659 5.1916 5.1916 5.1924 5.1924 6.3705 6.3705 6.3709 6.3709 7.5415 7.5415 7.5434 7.5434 10.5080 10.5080 10.5101 10.5101 k = 0.0144 0.0339 0.7479 ( 3372 PWs) bands (ev): -33.2929 -33.2929 -33.2929 -33.2929 -14.6072 -14.6072 -14.6068 -14.6068 -14.2449 -14.2449 -14.2419 -14.2419 -14.2212 -14.2212 -14.2186 -14.2186 -0.1676 -0.1676 -0.1675 -0.1675 5.1915 5.1915 5.1921 5.1921 6.3811 6.3811 6.3814 6.3814 7.5356 7.5356 7.5369 7.5369 10.5045 10.5045 10.5059 10.5059 k = 0.0072 0.0169 0.7479 ( 3376 PWs) bands (ev): -33.2929 -33.2929 -33.2929 -33.2929 -14.6070 -14.6070 -14.6068 -14.6068 -14.2440 -14.2440 -14.2425 -14.2425 -14.2207 -14.2207 -14.2194 -14.2194 -0.1686 -0.1686 -0.1685 -0.1685 5.1915 5.1915 5.1918 5.1918 6.3876 6.3876 6.3878 6.3878 7.5321 7.5321 7.5328 7.5328 10.5023 10.5023 10.5030 10.5030 k = 0.0000 0.0000 0.7479 ( 3376 PWs) bands (ev): -33.2929 -33.2929 -33.2929 -33.2929 -14.6069 -14.6069 -14.6069 -14.6069 -14.2433 -14.2433 -14.2433 -14.2433 -14.2200 -14.2200 -14.2200 -14.2200 -0.1689 -0.1689 -0.1689 -0.1689 5.1916 5.1916 5.1916 5.1916 6.3899 6.3899 6.3899 6.3899 7.5312 7.5312 7.5312 7.5312 10.5018 10.5018 10.5018 10.5018 k = 0.0000 0.0000 0.7479 ( 3376 PWs) bands (ev): -33.2929 -33.2929 -33.2929 -33.2929 -14.6069 -14.6069 -14.6069 -14.6069 -14.2433 -14.2433 -14.2433 -14.2433 -14.2200 -14.2200 -14.2200 -14.2200 -0.1689 -0.1689 -0.1689 -0.1689 5.1916 5.1916 5.1916 5.1916 6.3899 6.3899 6.3899 6.3899 7.5312 7.5312 7.5312 7.5312 10.5018 10.5018 10.5018 10.5018 k = 0.0000 0.0000 0.7297 ( 3380 PWs) bands (ev): -33.2935 -33.2935 -33.2923 -33.2923 -14.6089 -14.6089 -14.6049 -14.6049 -14.2454 -14.2454 -14.2412 -14.2412 -14.2210 -14.2210 -14.2189 -14.2189 -0.2723 -0.2723 -0.0636 -0.0636 5.1172 5.1172 5.2652 5.2652 6.3436 6.3436 6.4373 6.4373 7.4757 7.4757 7.5909 7.5909 10.4588 10.4588 10.5413 10.5413 k = 0.0000 0.0000 0.7114 ( 3382 PWs) bands (ev): -33.2941 -33.2941 -33.2917 -33.2917 -14.6108 -14.6108 -14.6029 -14.6029 -14.2475 -14.2475 -14.2393 -14.2393 -14.2216 -14.2216 -14.2176 -14.2176 -0.3740 -0.3740 0.0433 0.0433 5.0428 5.0428 5.3372 5.3372 6.2985 6.2985 6.4859 6.4859 7.4252 7.4252 7.6544 7.6544 10.4130 10.4130 10.5764 10.5764 k = 0.0000 0.0000 0.6932 ( 3382 PWs) bands (ev): -33.2947 -33.2947 -33.2912 -33.2912 -14.6126 -14.6126 -14.6007 -14.6007 -14.2497 -14.2497 -14.2376 -14.2376 -14.2219 -14.2219 -14.2162 -14.2162 -0.4737 -0.4737 0.1517 0.1517 4.9688 4.9688 5.4067 5.4067 6.2546 6.2546 6.5357 6.5357 7.3806 7.3806 7.7209 7.7209 10.3652 10.3652 10.6062 10.6062 k = 0.0000 0.0000 0.6749 ( 3378 PWs) bands (ev): -33.2953 -33.2953 -33.2907 -33.2907 -14.6143 -14.6143 -14.5985 -14.5985 -14.2518 -14.2518 -14.2362 -14.2362 -14.2216 -14.2216 -14.2146 -14.2146 -0.5715 -0.5715 0.2615 0.2615 4.8958 4.8958 5.4726 5.4726 6.2119 6.2119 6.5867 6.5867 7.3428 7.3428 7.7900 7.7900 10.3158 10.3158 10.6296 10.6296 k = 0.0000 0.0000 0.6567 ( 3374 PWs) bands (ev): -33.2959 -33.2959 -33.2902 -33.2902 -14.6160 -14.6160 -14.5963 -14.5963 -14.2539 -14.2539 -14.2353 -14.2353 -14.2208 -14.2208 -14.2129 -14.2129 -0.6672 -0.6672 0.3725 0.3725 4.8244 4.8244 5.5338 5.5338 6.1703 6.1703 6.6389 6.6389 7.3132 7.3132 7.8614 7.8614 10.2654 10.2654 10.6454 10.6454 k = 0.0000 0.0000 0.6385 ( 3382 PWs) bands (ev): -33.2966 -33.2966 -33.2897 -33.2897 -14.6176 -14.6176 -14.5940 -14.5940 -14.2560 -14.2560 -14.2348 -14.2348 -14.2196 -14.2196 -14.2111 -14.2111 -0.7607 -0.7607 0.4847 0.4847 4.7548 4.7548 5.5889 5.5889 6.1298 6.1298 6.6922 6.6922 7.2927 7.2927 7.9346 7.9346 10.2144 10.2144 10.6526 10.6526 k = 0.0000 0.0000 0.6202 ( 3386 PWs) bands (ev): -33.2973 -33.2973 -33.2892 -33.2892 -14.6192 -14.6192 -14.5917 -14.5917 -14.2580 -14.2580 -14.2346 -14.2346 -14.2179 -14.2179 -14.2091 -14.2091 -0.8522 -0.8522 0.5977 0.5977 4.6876 4.6876 5.6368 5.6368 6.0905 6.0905 6.7467 6.7467 7.2826 7.2826 8.0093 8.0093 10.1633 10.1633 10.6503 10.6503 k = 0.0000 0.0000 0.6020 ( 3382 PWs) bands (ev): -33.2979 -33.2979 -33.2888 -33.2888 -14.6206 -14.6206 -14.5893 -14.5893 -14.2600 -14.2600 -14.2345 -14.2345 -14.2159 -14.2159 -14.2070 -14.2070 -0.9414 -0.9414 0.7114 0.7114 4.6232 4.6232 5.6762 5.6762 6.0523 6.0523 6.8024 6.8024 7.2839 7.2839 8.0852 8.0852 10.1124 10.1124 10.6378 10.6378 k = 0.0000 0.0000 0.5837 ( 3384 PWs) bands (ev): -33.2986 -33.2986 -33.2884 -33.2884 -14.6221 -14.6221 -14.5870 -14.5870 -14.2619 -14.2619 -14.2346 -14.2346 -14.2138 -14.2138 -14.2047 -14.2047 -1.0283 -1.0283 0.8255 0.8255 4.5618 4.5618 5.7064 5.7064 6.0153 6.0153 6.8592 6.8592 7.2974 7.2974 8.1619 8.1619 10.0621 10.0621 10.6149 10.6149 k = 0.0000 0.0000 0.5655 ( 3384 PWs) bands (ev): -33.2993 -33.2993 -33.2880 -33.2880 -14.6234 -14.6234 -14.5845 -14.5845 -14.2638 -14.2638 -14.2346 -14.2346 -14.2118 -14.2118 -14.2022 -14.2022 -1.1129 -1.1129 0.9397 0.9397 4.5040 4.5040 5.7269 5.7269 5.9794 5.9794 6.9171 6.9171 7.3233 7.3233 8.2392 8.2392 10.0127 10.0127 10.5818 10.5818 k = 0.0000 0.0000 0.5472 ( 3382 PWs) bands (ev): -33.3000 -33.3000 -33.2876 -33.2876 -14.6247 -14.6247 -14.5821 -14.5821 -14.2657 -14.2657 -14.2346 -14.2346 -14.2097 -14.2097 -14.1995 -14.1995 -1.1952 -1.1952 1.0537 1.0537 4.4502 4.4502 5.7378 5.7378 5.9446 5.9446 6.9761 6.9761 7.3615 7.3615 8.3166 8.3166 9.9646 9.9646 10.5393 10.5393 k = 0.0000 0.0000 0.5290 ( 3382 PWs) bands (ev): -33.3007 -33.3007 -33.2872 -33.2872 -14.6260 -14.6260 -14.5797 -14.5797 -14.2675 -14.2675 -14.2346 -14.2346 -14.2078 -14.2078 -14.1965 -14.1965 -1.2751 -1.2751 1.1670 1.1670 4.4009 4.4009 5.7396 5.7396 5.9109 5.9109 7.0362 7.0362 7.4111 7.4111 8.3937 8.3937 9.9183 9.9183 10.4885 10.4885 k = 0.0000 0.0000 0.5108 ( 3386 PWs) bands (ev): -33.3014 -33.3014 -33.2869 -33.2869 -14.6272 -14.6272 -14.5773 -14.5773 -14.2693 -14.2693 -14.2344 -14.2344 -14.2059 -14.2059 -14.1935 -14.1935 -1.3526 -1.3526 1.2791 1.2791 4.3566 4.3566 5.7332 5.7332 5.8784 5.8784 7.0973 7.0973 7.4711 7.4711 8.4701 8.4701 9.8740 9.8740 10.4308 10.4308 k = 0.0000 0.0000 0.4925 ( 3386 PWs) bands (ev): -33.3020 -33.3020 -33.2866 -33.2866 -14.6284 -14.6284 -14.5749 -14.5749 -14.2711 -14.2711 -14.2341 -14.2341 -14.2041 -14.2041 -14.1902 -14.1902 -1.4276 -1.4276 1.3896 1.3896 4.3178 4.3178 5.7198 5.7198 5.8469 5.8469 7.1594 7.1594 7.5399 7.5399 8.5453 8.5453 9.8323 9.8323 10.3679 10.3679 k = 0.0000 0.0000 0.4743 ( 3370 PWs) bands (ev): -33.3027 -33.3027 -33.2862 -33.2862 -14.6295 -14.6295 -14.5724 -14.5724 -14.2727 -14.2727 -14.2337 -14.2337 -14.2024 -14.2024 -14.1868 -14.1868 -1.5002 -1.5002 1.4977 1.4977 4.2853 4.2853 5.7006 5.7006 5.8165 5.8165 7.2225 7.2225 7.6161 7.6161 8.6183 8.6183 9.7937 9.7937 10.3015 10.3015 k = 0.0000 0.0000 0.4560 ( 3378 PWs) bands (ev): -33.3034 -33.3034 -33.2860 -33.2860 -14.6306 -14.6306 -14.5701 -14.5701 -14.2745 -14.2745 -14.2332 -14.2332 -14.2008 -14.2008 -14.1834 -14.1834 -1.5702 -1.5702 1.6028 1.6028 4.2597 4.2597 5.6768 5.6768 5.7873 5.7873 7.2864 7.2864 7.6979 7.6979 8.6883 8.6883 9.7588 9.7588 10.2333 10.2333 k = 0.0000 0.0000 0.4378 ( 3370 PWs) bands (ev): -33.3040 -33.3040 -33.2857 -33.2857 -14.6316 -14.6316 -14.5677 -14.5677 -14.2761 -14.2761 -14.2326 -14.2326 -14.1992 -14.1992 -14.1798 -14.1798 -1.6377 -1.6377 1.7041 1.7041 4.2419 4.2419 5.6493 5.6493 5.7591 5.7591 7.3512 7.3512 7.7838 7.7838 8.7540 8.7540 9.7282 9.7282 10.1655 10.1655 k = 0.0000 0.0000 0.4196 ( 3366 PWs) bands (ev): -33.3047 -33.3047 -33.2854 -33.2854 -14.6326 -14.6326 -14.5654 -14.5654 -14.2777 -14.2777 -14.2319 -14.2319 -14.1977 -14.1977 -14.1763 -14.1763 -1.7027 -1.7027 1.8007 1.8007 4.2326 4.2326 5.6192 5.6192 5.7320 5.7320 7.4167 7.4167 7.8719 7.8719 8.8138 8.8138 9.7028 9.7028 10.1004 10.1004 k = 0.0000 0.0000 0.4013 ( 3366 PWs) bands (ev): -33.3053 -33.3053 -33.2852 -33.2852 -14.6336 -14.6336 -14.5632 -14.5632 -14.2793 -14.2793 -14.2311 -14.2311 -14.1963 -14.1963 -14.1727 -14.1727 -1.7651 -1.7651 1.8917 1.8917 4.2328 4.2328 5.5872 5.5872 5.7060 5.7060 7.4828 7.4828 7.9608 7.9608 8.8653 8.8653 9.6837 9.6837 10.0403 10.0403 k = 0.0000 0.0000 0.3831 ( 3368 PWs) bands (ev): -33.3060 -33.3060 -33.2850 -33.2850 -14.6345 -14.6345 -14.5610 -14.5610 -14.2808 -14.2808 -14.2302 -14.2302 -14.1949 -14.1949 -14.1691 -14.1691 -1.8248 -1.8248 1.9762 1.9762 4.2432 4.2432 5.5540 5.5540 5.6812 5.6812 7.5496 7.5496 8.0484 8.0484 8.9058 8.9058 9.6719 9.6719 9.9886 9.9886 k = 0.0000 0.0000 0.3648 ( 3360 PWs) bands (ev): -33.3066 -33.3066 -33.2848 -33.2848 -14.6354 -14.6354 -14.5589 -14.5589 -14.2823 -14.2823 -14.2292 -14.2292 -14.1935 -14.1935 -14.1655 -14.1655 -1.8820 -1.8820 2.0534 2.0534 4.2647 4.2647 5.5202 5.5202 5.6574 5.6574 7.6167 7.6167 8.1332 8.1332 8.9321 8.9321 9.6688 9.6688 9.9484 9.9484 k = 0.0000 0.0000 0.3466 ( 3360 PWs) bands (ev): -33.3072 -33.3072 -33.2846 -33.2846 -14.6363 -14.6363 -14.5568 -14.5568 -14.2837 -14.2837 -14.2282 -14.2282 -14.1923 -14.1923 -14.1619 -14.1619 -1.9365 -1.9365 2.1228 2.1228 4.2977 4.2977 5.4862 5.4862 5.6348 5.6348 7.6841 7.6841 8.2130 8.2130 8.9410 8.9410 9.6759 9.6759 9.9229 9.9229 k = 0.0000 0.0000 0.3283 ( 3360 PWs) bands (ev): -33.3078 -33.3078 -33.2844 -33.2844 -14.6371 -14.6371 -14.5549 -14.5549 -14.2851 -14.2851 -14.2271 -14.2271 -14.1911 -14.1911 -14.1584 -14.1584 -1.9883 -1.9883 2.1838 2.1838 4.3426 4.3426 5.4523 5.4523 5.6133 5.6133 7.7517 7.7517 8.2861 8.2861 8.9306 8.9306 9.6946 9.6946 9.9141 9.9141 k = 0.0000 0.0000 0.3101 ( 3356 PWs) bands (ev): -33.3083 -33.3083 -33.2843 -33.2843 -14.6379 -14.6379 -14.5530 -14.5530 -14.2864 -14.2864 -14.2259 -14.2259 -14.1900 -14.1900 -14.1550 -14.1550 -2.0374 -2.0374 2.2363 2.2363 4.3994 4.3994 5.4191 5.4191 5.5929 5.5929 7.8193 7.8193 8.3509 8.3509 8.9005 8.9005 9.7262 9.7262 9.9217 9.9217 k = 0.0000 0.0000 0.2919 ( 3362 PWs) bands (ev): -33.3089 -33.3089 -33.2841 -33.2841 -14.6387 -14.6387 -14.5512 -14.5512 -14.2877 -14.2877 -14.2248 -14.2248 -14.1889 -14.1889 -14.1516 -14.1516 -2.0838 -2.0838 2.2805 2.2805 4.4677 4.4677 5.3866 5.3866 5.5736 5.5736 7.8865 7.8865 8.4062 8.4062 8.8525 8.8525 9.7715 9.7715 9.9440 9.9440 k = 0.0000 0.0000 0.2736 ( 3350 PWs) bands (ev): -33.3094 -33.3094 -33.2840 -33.2840 -14.6394 -14.6394 -14.5495 -14.5495 -14.2888 -14.2888 -14.2235 -14.2235 -14.1879 -14.1879 -14.1483 -14.1483 -2.1275 -2.1275 2.3168 2.3168 4.5470 4.5470 5.3553 5.3553 5.5555 5.5555 7.9533 7.9533 8.4515 8.4515 8.7893 8.7893 9.8306 9.8306 9.9778 9.9778 k = 0.0000 0.0000 0.2554 ( 3364 PWs) bands (ev): -33.3099 -33.3099 -33.2839 -33.2839 -14.6401 -14.6401 -14.5479 -14.5479 -14.2900 -14.2900 -14.2223 -14.2223 -14.1870 -14.1870 -14.1453 -14.1453 -2.1685 -2.1685 2.3460 2.3460 4.6362 4.6362 5.3252 5.3252 5.5385 5.5385 8.0193 8.0193 8.4870 8.4870 8.7138 8.7138 9.9031 9.9031 10.0197 10.0197 k = 0.0000 0.0000 0.2371 ( 3356 PWs) bands (ev): -33.3103 -33.3103 -33.2838 -33.2838 -14.6407 -14.6407 -14.5464 -14.5464 -14.2910 -14.2910 -14.2211 -14.2211 -14.1861 -14.1861 -14.1423 -14.1423 -2.2067 -2.2067 2.3689 2.3689 4.7343 4.7343 5.2966 5.2966 5.5226 5.5226 8.0843 8.0843 8.5137 8.5137 8.6286 8.6286 9.9877 9.9877 10.0670 10.0670 k = 0.0000 0.0000 0.2189 ( 3362 PWs) bands (ev): -33.3108 -33.3108 -33.2837 -33.2837 -14.6413 -14.6413 -14.5450 -14.5450 -14.2920 -14.2920 -14.2199 -14.2199 -14.1853 -14.1853 -14.1395 -14.1395 -2.2421 -2.2421 2.3863 2.3863 4.8400 4.8400 5.2696 5.2696 5.5079 5.5079 8.1478 8.1478 8.5326 8.5326 8.5356 8.5356 10.0827 10.0827 10.1172 10.1172 k = 0.0000 0.0000 0.2007 ( 3358 PWs) bands (ev): -33.3112 -33.3112 -33.2836 -33.2836 -14.6419 -14.6419 -14.5437 -14.5437 -14.2930 -14.2930 -14.2188 -14.2188 -14.1845 -14.1845 -14.1368 -14.1368 -2.2748 -2.2748 2.3991 2.3991 4.9520 4.9520 5.2443 5.2443 5.4944 5.4944 8.2094 8.2094 8.4363 8.4363 8.5454 8.5454 10.1682 10.1682 10.1869 10.1869 k = 0.0000 0.0000 0.1824 ( 3350 PWs) bands (ev): -33.3116 -33.3116 -33.2835 -33.2835 -14.6424 -14.6424 -14.5425 -14.5425 -14.2938 -14.2938 -14.2177 -14.2177 -14.1838 -14.1838 -14.1342 -14.1342 -2.3046 -2.3046 2.4083 2.4083 5.0689 5.0689 5.2210 5.2210 5.4820 5.4820 8.2685 8.2685 8.3324 8.3324 8.5531 8.5531 10.2193 10.2193 10.2973 10.2973 k = 0.0000 0.0000 0.1642 ( 3354 PWs) bands (ev): -33.3119 -33.3119 -33.2835 -33.2835 -14.6429 -14.6429 -14.5414 -14.5414 -14.2946 -14.2946 -14.2166 -14.2166 -14.1832 -14.1832 -14.1320 -14.1320 -2.3317 -2.3317 2.4144 2.4144 5.1880 5.1880 5.2007 5.2007 5.4708 5.4708 8.2241 8.2241 8.3257 8.3257 8.5572 8.5572 10.2687 10.2687 10.4127 10.4127 k = 0.0000 0.0000 0.1459 ( 3348 PWs) bands (ev): -33.3122 -33.3122 -33.2834 -33.2834 -14.6433 -14.6433 -14.5405 -14.5405 -14.2953 -14.2953 -14.2156 -14.2156 -14.1826 -14.1826 -14.1298 -14.1298 -2.3559 -2.3559 2.4184 2.4184 5.1799 5.1799 5.3114 5.3114 5.4607 5.4607 8.1143 8.1143 8.3788 8.3788 8.5587 8.5587 10.3155 10.3155 10.5312 10.5312 k = 0.0000 0.0000 0.1277 ( 3344 PWs) bands (ev): -33.3125 -33.3125 -33.2833 -33.2833 -14.6437 -14.6437 -14.5396 -14.5396 -14.2959 -14.2959 -14.2148 -14.2148 -14.1821 -14.1821 -14.1280 -14.1280 -2.3773 -2.3773 2.4206 2.4206 5.1627 5.1627 5.4326 5.4326 5.4525 5.4525 8.0036 8.0036 8.4280 8.4280 8.5584 8.5584 10.3590 10.3590 10.6508 10.6508 k = 0.0000 0.0000 0.1094 ( 3346 PWs) bands (ev): -33.3127 -33.3127 -33.2833 -33.2833 -14.6440 -14.6440 -14.5389 -14.5389 -14.2964 -14.2964 -14.2140 -14.2140 -14.1817 -14.1817 -14.1263 -14.1263 -2.3958 -2.3958 2.4216 2.4216 5.1476 5.1476 5.4439 5.4439 5.5532 5.5532 7.8940 7.8940 8.4725 8.4725 8.5571 8.5571 10.3984 10.3984 10.7693 10.7693 k = 0.0000 0.0000 0.0912 ( 3345 PWs) bands (ev): -33.3129 -33.3129 -33.2833 -33.2833 -14.6443 -14.6443 -14.5382 -14.5382 -14.2969 -14.2969 -14.2133 -14.2133 -14.1813 -14.1813 -14.1249 -14.1249 -2.4116 -2.4116 2.4219 2.4219 5.1347 5.1347 5.4374 5.4374 5.6677 5.6677 7.7882 7.7882 8.5116 8.5116 8.5554 8.5554 10.4332 10.4332 10.8843 10.8843 k = 0.0000 0.0000 0.0730 ( 3351 PWs) bands (ev): -33.3131 -33.3131 -33.2832 -33.2832 -14.6446 -14.6446 -14.5377 -14.5377 -14.2973 -14.2973 -14.2128 -14.2128 -14.1810 -14.1810 -14.1237 -14.1237 -2.4244 -2.4244 2.4217 2.4217 5.1241 5.1241 5.4321 5.4321 5.7736 5.7736 7.6896 7.6896 8.5429 8.5429 8.5553 8.5553 10.4628 10.4628 10.9208 10.9208 k = 0.0000 0.0000 0.0547 ( 3349 PWs) bands (ev): -33.3133 -33.3133 -33.2832 -33.2832 -14.6448 -14.6448 -14.5373 -14.5373 -14.2976 -14.2976 -14.2124 -14.2124 -14.1808 -14.1808 -14.1228 -14.1228 -2.4344 -2.4344 2.4213 2.4213 5.1159 5.1159 5.4280 5.4280 5.8661 5.8661 7.6028 7.6028 8.5496 8.5496 8.5734 8.5734 10.4867 10.4867 10.8783 10.8783 k = 0.0000 0.0000 0.0365 ( 3353 PWs) bands (ev): -33.3133 -33.3133 -33.2832 -33.2832 -14.6449 -14.6449 -14.5370 -14.5370 -14.2978 -14.2978 -14.2121 -14.2121 -14.1807 -14.1807 -14.1222 -14.1222 -2.4416 -2.4416 2.4209 2.4209 5.1099 5.1099 5.4250 5.4250 5.9395 5.9395 7.5335 7.5335 8.5485 8.5485 8.5924 8.5924 10.5044 10.5044 10.8476 10.8476 k = 0.0000 0.0000 0.0182 ( 3351 PWs) bands (ev): -33.3134 -33.3134 -33.2832 -33.2832 -14.6450 -14.6450 -14.5368 -14.5368 -14.2980 -14.2980 -14.2119 -14.2119 -14.1806 -14.1806 -14.1217 -14.1217 -2.4459 -2.4459 2.4205 2.4205 5.1064 5.1064 5.4232 5.4232 5.9873 5.9873 7.4883 7.4883 8.5477 8.5477 8.6042 8.6042 10.5153 10.5153 10.8289 10.8289 k = 0.0000 0.0000 0.0000 ( 3359 PWs) bands (ev): -33.3134 -33.3134 -33.2832 -33.2832 -14.6451 -14.6451 -14.5368 -14.5368 -14.2980 -14.2980 -14.2119 -14.2119 -14.1805 -14.1805 -14.1216 -14.1216 -2.4473 -2.4473 2.4204 2.4204 5.1052 5.1052 5.4226 5.4226 6.0040 6.0040 7.4724 7.4724 8.5474 8.5474 8.6082 8.6082 10.5190 10.5190 10.8226 10.8226 k = 0.0000 0.0000 0.0000 ( 3359 PWs) bands (ev): -33.3134 -33.3134 -33.2832 -33.2832 -14.6451 -14.6451 -14.5368 -14.5368 -14.2980 -14.2980 -14.2119 -14.2119 -14.1805 -14.1805 -14.1216 -14.1216 -2.4473 -2.4473 2.4204 2.4204 5.1052 5.1052 5.4226 5.4226 6.0040 6.0040 7.4724 7.4724 8.5474 8.5474 8.6082 8.6082 10.5190 10.5190 10.8226 10.8226 k =-0.0167 0.0071-0.0000 ( 3363 PWs) bands (ev): -33.3134 -33.3134 -33.2832 -33.2832 -14.6450 -14.6450 -14.5369 -14.5369 -14.2979 -14.2979 -14.2119 -14.2119 -14.1806 -14.1806 -14.1217 -14.1217 -2.4467 -2.4467 2.4173 2.4173 5.1097 5.1097 5.4228 5.4228 6.0038 6.0038 7.4732 7.4732 8.5443 8.5443 8.6094 8.6094 10.5174 10.5174 10.8225 10.8225 k =-0.0333 0.0142-0.0000 ( 3363 PWs) bands (ev): -33.3133 -33.3133 -33.2833 -33.2833 -14.6448 -14.6448 -14.5371 -14.5371 -14.2977 -14.2977 -14.2118 -14.2118 -14.1807 -14.1807 -14.1220 -14.1220 -2.4449 -2.4449 2.4080 2.4080 5.1234 5.1234 5.4236 5.4236 6.0034 6.0034 7.4756 7.4756 8.5353 8.5353 8.6132 8.6132 10.5130 10.5130 10.8218 10.8218 k =-0.0500 0.0213-0.0000 ( 3359 PWs) bands (ev): -33.3132 -33.3132 -33.2834 -33.2834 -14.6444 -14.6444 -14.5376 -14.5376 -14.2973 -14.2973 -14.2117 -14.2117 -14.1808 -14.1808 -14.1224 -14.1224 -2.4419 -2.4419 2.3927 2.3927 5.1458 5.1458 5.4248 5.4248 6.0027 6.0027 7.4795 7.4795 8.5205 8.5205 8.6195 8.6195 10.5061 10.5061 10.8200 10.8200 k =-0.0667 0.0284-0.0000 ( 3363 PWs) bands (ev): -33.3131 -33.3131 -33.2835 -33.2835 -14.6439 -14.6439 -14.5381 -14.5381 -14.2967 -14.2967 -14.2117 -14.2117 -14.1810 -14.1810 -14.1229 -14.1229 -2.4378 -2.4378 2.3718 2.3718 5.1767 5.1767 5.4264 5.4264 6.0016 6.0016 7.4847 7.4847 8.5007 8.5007 8.6283 8.6283 10.4973 10.4973 10.8163 10.8163 k =-0.0833 0.0354-0.0000 ( 3359 PWs) bands (ev): -33.3129 -33.3129 -33.2837 -33.2837 -14.6432 -14.6432 -14.5388 -14.5388 -14.2960 -14.2960 -14.2115 -14.2115 -14.1812 -14.1812 -14.1236 -14.1236 -2.4325 -2.4325 2.3459 2.3459 5.2154 5.2154 5.4285 5.4285 6.0004 6.0004 7.4911 7.4911 8.4764 8.4764 8.6397 8.6397 10.4873 10.4873 10.8098 10.8098 k =-0.1000 0.0425-0.0000 ( 3356 PWs) bands (ev): -33.3127 -33.3127 -33.2839 -33.2839 -14.6424 -14.6424 -14.5397 -14.5397 -14.2951 -14.2951 -14.2114 -14.2114 -14.1815 -14.1815 -14.1245 -14.1245 -2.4261 -2.4261 2.3155 2.3155 5.2614 5.2614 5.4310 5.4310 5.9988 5.9988 7.4984 7.4984 8.4487 8.4487 8.6537 8.6537 10.4767 10.4767 10.7991 10.7991 k =-0.1167 0.0496-0.0000 ( 3358 PWs) bands (ev): -33.3124 -33.3124 -33.2842 -33.2842 -14.6415 -14.6415 -14.5407 -14.5407 -14.2940 -14.2940 -14.2114 -14.2114 -14.1818 -14.1818 -14.1255 -14.1255 -2.4187 -2.4187 2.2812 2.2812 5.3140 5.3140 5.4340 5.4340 5.9971 5.9971 7.5062 7.5062 8.4184 8.4184 8.6703 8.6703 10.4661 10.4661 10.7833 10.7833 k =-0.1333 0.0567-0.0000 ( 3348 PWs) bands (ev): -33.3121 -33.3121 -33.2845 -33.2845 -14.6404 -14.6404 -14.5419 -14.5419 -14.2928 -14.2928 -14.2113 -14.2113 -14.1821 -14.1821 -14.1266 -14.1266 -2.4103 -2.4103 2.2436 2.2436 5.3726 5.3726 5.4373 5.4373 5.9951 5.9951 7.5142 7.5142 8.3866 8.3866 8.6894 8.6894 10.4562 10.4562 10.7613 10.7613 k =-0.1500 0.0638-0.0000 ( 3350 PWs) bands (ev): -33.3118 -33.3118 -33.2848 -33.2848 -14.6393 -14.6393 -14.5432 -14.5432 -14.2915 -14.2915 -14.2113 -14.2113 -14.1824 -14.1824 -14.1279 -14.1279 -2.4011 -2.4011 2.2035 2.2035 5.4350 5.4350 5.4423 5.4423 5.9929 5.9929 7.5219 7.5219 8.3544 8.3544 8.7110 8.7110 10.4473 10.4473 10.7323 10.7323 k =-0.1667 0.0709-0.0000 ( 3352 PWs) bands (ev): -33.3114 -33.3114 -33.2852 -33.2852 -14.6380 -14.6380 -14.5446 -14.5446 -14.2900 -14.2900 -14.2114 -14.2114 -14.1827 -14.1827 -14.1293 -14.1293 -2.3910 -2.3910 2.1613 2.1613 5.4445 5.4445 5.5050 5.5050 5.9905 5.9905 7.5288 7.5288 8.3226 8.3226 8.7352 8.7352 10.4396 10.4396 10.6960 10.6960 k =-0.1833 0.0780 0.0000 ( 3358 PWs) bands (ev): -33.3110 -33.3110 -33.2856 -33.2856 -14.6365 -14.6365 -14.5462 -14.5462 -14.2884 -14.2884 -14.2115 -14.2115 -14.1829 -14.1829 -14.1308 -14.1308 -2.3803 -2.3803 2.1177 2.1177 5.4487 5.4487 5.5771 5.5771 5.9880 5.9880 7.5343 7.5343 8.2922 8.2922 8.7619 8.7619 10.4335 10.4335 10.6528 10.6528 k =-0.2000 0.0851-0.0000 ( 3366 PWs) bands (ev): -33.3106 -33.3106 -33.2861 -33.2861 -14.6350 -14.6350 -14.5480 -14.5480 -14.2867 -14.2867 -14.2118 -14.2118 -14.1832 -14.1832 -14.1324 -14.1324 -2.3689 -2.3689 2.0732 2.0732 5.4531 5.4531 5.6525 5.6525 5.9854 5.9854 7.5380 7.5380 8.2640 8.2640 8.7912 8.7912 10.4291 10.4291 10.6036 10.6036 k =-0.2167 0.0922-0.0000 ( 3358 PWs) bands (ev): -33.3101 -33.3101 -33.2865 -33.2865 -14.6333 -14.6333 -14.5498 -14.5498 -14.2848 -14.2848 -14.2121 -14.2121 -14.1833 -14.1833 -14.1341 -14.1341 -2.3570 -2.3570 2.0284 2.0284 5.4577 5.4577 5.7304 5.7304 5.9827 5.9827 7.5393 7.5393 8.2386 8.2386 8.8229 8.8229 10.4267 10.4267 10.5501 10.5501 k =-0.2333 0.0993-0.0000 ( 3350 PWs) bands (ev): -33.3096 -33.3096 -33.2870 -33.2870 -14.6314 -14.6314 -14.5517 -14.5517 -14.2828 -14.2828 -14.2126 -14.2126 -14.1833 -14.1833 -14.1359 -14.1359 -2.3448 -2.3448 1.9837 1.9837 5.4623 5.4623 5.8102 5.8102 5.9799 5.9799 7.5381 7.5381 8.2162 8.2162 8.8572 8.8572 10.4261 10.4261 10.4941 10.4941 k =-0.2500 0.1063-0.0000 ( 3346 PWs) bands (ev): -33.3090 -33.3090 -33.2876 -33.2876 -14.6295 -14.6295 -14.5537 -14.5537 -14.2807 -14.2807 -14.2132 -14.2132 -14.1831 -14.1831 -14.1377 -14.1377 -2.3323 -2.3323 1.9395 1.9395 5.4670 5.4670 5.8911 5.8911 5.9774 5.9774 7.5342 7.5342 8.1967 8.1967 8.8939 8.8939 10.4274 10.4274 10.4379 10.4379 k =-0.2667 0.1134-0.0000 ( 3350 PWs) bands (ev): -33.3085 -33.3085 -33.2881 -33.2881 -14.6275 -14.6275 -14.5559 -14.5559 -14.2785 -14.2785 -14.2141 -14.2141 -14.1829 -14.1829 -14.1396 -14.1396 -2.3196 -2.3196 1.8963 1.8963 5.4717 5.4717 5.9660 5.9660 5.9816 5.9816 7.5279 7.5279 8.1798 8.1798 8.9331 8.9331 10.3829 10.3829 10.4307 10.4307 k =-0.2833 0.1205-0.0000 ( 3346 PWs) bands (ev): -33.3079 -33.3079 -33.2887 -33.2887 -14.6254 -14.6254 -14.5581 -14.5581 -14.2762 -14.2762 -14.2151 -14.2151 -14.1826 -14.1826 -14.1416 -14.1416 -2.3070 -2.3070 1.8545 1.8545 5.4764 5.4764 5.9703 5.9703 6.0563 6.0563 7.5198 7.5198 8.1644 8.1644 8.9748 8.9748 10.3316 10.3316 10.4357 10.4357 k =-0.3000 0.1276-0.0000 ( 3350 PWs) bands (ev): -33.3073 -33.3073 -33.2893 -33.2893 -14.6232 -14.6232 -14.5604 -14.5604 -14.2738 -14.2738 -14.2163 -14.2163 -14.1821 -14.1821 -14.1436 -14.1436 -2.2946 -2.2946 1.8143 1.8143 5.4810 5.4810 5.9679 5.9679 6.1372 6.1372 7.5107 7.5107 8.1497 8.1497 9.0189 9.0189 10.2853 10.2853 10.4423 10.4423 k =-0.3167 0.1347-0.0000 ( 3360 PWs) bands (ev): -33.3066 -33.3066 -33.2900 -33.2900 -14.6209 -14.6209 -14.5628 -14.5628 -14.2714 -14.2714 -14.2177 -14.2177 -14.1815 -14.1815 -14.1456 -14.1456 -2.2824 -2.2824 1.7761 1.7761 5.4854 5.4854 5.9653 5.9653 6.2169 6.2169 7.5013 7.5013 8.1343 8.1343 9.0653 9.0653 10.2454 10.2454 10.4504 10.4504 k =-0.3333 0.1418-0.0000 ( 3360 PWs) bands (ev): -33.3060 -33.3060 -33.2907 -33.2907 -14.6186 -14.6186 -14.5653 -14.5653 -14.2689 -14.2689 -14.2193 -14.2193 -14.1807 -14.1807 -14.1476 -14.1476 -2.2707 -2.2707 1.7402 1.7402 5.4897 5.4897 5.9628 5.9628 6.2944 6.2944 7.4928 7.4928 8.1172 8.1172 9.1141 9.1141 10.2129 10.2129 10.4596 10.4596 k =-0.3500 0.1489-0.0000 ( 3360 PWs) bands (ev): -33.3053 -33.3053 -33.2913 -33.2913 -14.6161 -14.6161 -14.5678 -14.5678 -14.2663 -14.2663 -14.2210 -14.2210 -14.1799 -14.1799 -14.1497 -14.1497 -2.2596 -2.2596 1.7069 1.7069 5.4937 5.4937 5.9604 5.9604 6.3687 6.3687 7.4862 7.4862 8.0972 8.0972 9.1652 9.1652 10.1884 10.1884 10.4641 10.4659 k =-0.3667 0.1560 0.0000 ( 3348 PWs) bands (ev): -33.3046 -33.3046 -33.2920 -33.2920 -14.6136 -14.6136 -14.5703 -14.5703 -14.2636 -14.2636 -14.2228 -14.2228 -14.1788 -14.1788 -14.1517 -14.1517 -2.2492 -2.2492 1.6764 1.6764 5.4974 5.4974 5.9581 5.9581 6.4389 6.4389 7.4826 7.4826 8.0738 8.0738 9.2185 9.2185 10.1723 10.1723 10.3818 10.3818 k =-0.3833 0.1631-0.0000 ( 3348 PWs) bands (ev): -33.3039 -33.3039 -33.2927 -33.2927 -14.6111 -14.6111 -14.5730 -14.5730 -14.2609 -14.2609 -14.2248 -14.2248 -14.1777 -14.1777 -14.1537 -14.1537 -2.2396 -2.2396 1.6489 1.6489 5.5008 5.5008 5.9561 5.9561 6.5039 6.5039 7.4829 7.4829 8.0464 8.0464 9.2738 9.2738 10.1641 10.1641 10.3007 10.3007 k =-0.4000 0.1702-0.0000 ( 3352 PWs) bands (ev): -33.3031 -33.3031 -33.2935 -33.2935 -14.6085 -14.6085 -14.5756 -14.5756 -14.2583 -14.2583 -14.2270 -14.2270 -14.1765 -14.1765 -14.1557 -14.1557 -2.2310 -2.2310 1.6247 1.6247 5.5038 5.5038 5.9543 5.9543 6.5624 6.5624 7.4878 7.4878 8.0153 8.0153 9.3310 9.3310 10.1631 10.1631 10.2208 10.2208 k =-0.4167 0.1772-0.0000 ( 3360 PWs) bands (ev): -33.3024 -33.3024 -33.2942 -33.2942 -14.6058 -14.6058 -14.5784 -14.5784 -14.2556 -14.2556 -14.2293 -14.2293 -14.1753 -14.1753 -14.1576 -14.1576 -2.2236 -2.2236 1.6038 1.6038 5.5065 5.5065 5.9527 5.9527 6.6134 6.6134 7.4978 7.4978 7.9812 7.9812 9.3898 9.3898 10.1421 10.1421 10.1683 10.1683 k =-0.4333 0.1843-0.0000 ( 3362 PWs) bands (ev): -33.3017 -33.3017 -33.2949 -33.2949 -14.6032 -14.6032 -14.5811 -14.5811 -14.2529 -14.2529 -14.2316 -14.2316 -14.1739 -14.1739 -14.1595 -14.1595 -2.2173 -2.2173 1.5866 1.5866 5.5087 5.5087 5.9514 5.9514 6.6560 6.6560 7.5124 7.5124 7.9454 7.9454 9.4496 9.4496 10.0662 10.0662 10.1769 10.1769 k =-0.4500 0.1914-0.0000 ( 3368 PWs) bands (ev): -33.3010 -33.3010 -33.2956 -33.2956 -14.6005 -14.6005 -14.5839 -14.5839 -14.2501 -14.2501 -14.2341 -14.2341 -14.1726 -14.1726 -14.1613 -14.1613 -2.2124 -2.2124 1.5730 1.5730 5.5104 5.5104 5.9503 5.9503 6.6895 6.6895 7.5306 7.5306 7.9100 7.9100 9.5096 9.5096 9.9936 9.9936 10.1874 10.1874 k =-0.4667 0.1985-0.0000 ( 3378 PWs) bands (ev): -33.3004 -33.3004 -33.2963 -33.2963 -14.5978 -14.5978 -14.5866 -14.5866 -14.2475 -14.2475 -14.2365 -14.2365 -14.1713 -14.1713 -14.1630 -14.1630 -2.2088 -2.2088 1.5633 1.5633 5.5116 5.5116 5.9496 5.9496 6.7135 6.7135 7.5495 7.5495 7.8785 7.8785 9.5671 9.5671 9.9270 9.9270 10.1973 10.1973 k =-0.4833 0.2056-0.0000 ( 3376 PWs) bands (ev): -33.2998 -33.2998 -33.2968 -33.2968 -14.5950 -14.5950 -14.5894 -14.5894 -14.2449 -14.2449 -14.2390 -14.2390 -14.1701 -14.1701 -14.1644 -14.1644 -2.2066 -2.2066 1.5574 1.5574 5.5124 5.5124 5.9491 5.9491 6.7279 6.7279 7.5646 7.5646 7.8557 7.8557 9.6154 9.6154 9.8731 9.8731 10.2042 10.2042 k =-0.5000 0.2127-0.0000 ( 3376 PWs) bands (ev): -33.2996 -33.2996 -33.2970 -33.2970 -14.5926 -14.5926 -14.5919 -14.5919 -14.2432 -14.2432 -14.2407 -14.2407 -14.1695 -14.1695 -14.1650 -14.1650 -2.2059 -2.2059 1.5554 1.5554 5.5126 5.5126 5.9490 5.9490 6.7327 6.7327 7.5706 7.5706 7.8472 7.8472 9.6369 9.6369 9.8498 9.8498 10.2067 10.2067 k =-0.5000 0.2127-0.0000 ( 3376 PWs) bands (ev): -33.2996 -33.2996 -33.2970 -33.2970 -14.5926 -14.5926 -14.5919 -14.5919 -14.2432 -14.2432 -14.2407 -14.2407 -14.1695 -14.1695 -14.1650 -14.1650 -2.2059 -2.2059 1.5554 1.5554 5.5126 5.5126 5.9490 5.9490 6.7327 6.7327 7.5706 7.5706 7.8472 7.8472 9.6369 9.6369 9.8498 9.8498 10.2067 10.2067 k =-0.4929 0.2293-0.0000 ( 3368 PWs) bands (ev): -33.2996 -33.2996 -33.2970 -33.2970 -14.5928 -14.5928 -14.5916 -14.5916 -14.2433 -14.2433 -14.2406 -14.2406 -14.1696 -14.1696 -14.1649 -14.1649 -2.2054 -2.2054 1.5567 1.5567 5.5057 5.5057 5.9486 5.9486 6.7325 6.7325 7.5770 7.5770 7.8483 7.8483 9.6376 9.6376 9.8130 9.8130 10.2319 10.2319 k =-0.4859 0.2459-0.0000 ( 3360 PWs) bands (ev): -33.2996 -33.2996 -33.2970 -33.2970 -14.5933 -14.5933 -14.5912 -14.5912 -14.2434 -14.2434 -14.2405 -14.2405 -14.1696 -14.1696 -14.1647 -14.1647 -2.2038 -2.2038 1.5604 1.5604 5.4851 5.4851 5.9474 5.9474 6.7317 6.7317 7.5960 7.5960 7.8516 7.8516 9.6396 9.6396 9.7253 9.7253 10.2841 10.2841 k =-0.4788 0.2625-0.0000 ( 3360 PWs) bands (ev): -33.2997 -33.2997 -33.2969 -33.2969 -14.5939 -14.5939 -14.5909 -14.5909 -14.2437 -14.2437 -14.2404 -14.2404 -14.1698 -14.1698 -14.1645 -14.1645 -2.2011 -2.2011 1.5666 1.5666 5.4518 5.4518 5.9454 5.9454 6.7303 6.7303 7.6266 7.6266 7.8570 7.8570 9.6145 9.6145 9.6432 9.6432 10.3343 10.3343 k =-0.4718 0.2791-0.0000 ( 3360 PWs) bands (ev): -33.2997 -33.2997 -33.2969 -33.2969 -14.5946 -14.5946 -14.5905 -14.5905 -14.2441 -14.2441 -14.2403 -14.2403 -14.1700 -14.1700 -14.1642 -14.1642 -2.1974 -2.1974 1.5753 1.5753 5.4070 5.4070 5.9426 5.9426 6.7283 6.7283 7.6676 7.6676 7.8643 7.8643 9.4938 9.4938 9.6480 9.6480 10.3716 10.3716 k =-0.4647 0.2957-0.0000 ( 3364 PWs) bands (ev): -33.2997 -33.2997 -33.2968 -33.2968 -14.5953 -14.5953 -14.5903 -14.5903 -14.2446 -14.2446 -14.2403 -14.2403 -14.1703 -14.1703 -14.1638 -14.1638 -2.1927 -2.1927 1.5865 1.5865 5.3523 5.3523 5.9391 5.9391 6.7258 6.7258 7.7173 7.7173 7.8736 7.8736 9.3682 9.3682 9.6545 9.6545 10.3945 10.3945 k =-0.4576 0.3123-0.0000 ( 3370 PWs) bands (ev): -33.2998 -33.2998 -33.2967 -33.2967 -14.5960 -14.5960 -14.5900 -14.5900 -14.2451 -14.2451 -14.2403 -14.2403 -14.1706 -14.1706 -14.1634 -14.1634 -2.1871 -2.1871 1.6000 1.6000 5.2892 5.2892 5.9349 5.9349 6.7226 6.7226 7.7743 7.7743 7.8844 7.8844 9.2409 9.2409 9.6630 9.6630 10.3962 10.3963 k =-0.4506 0.3289-0.0000 ( 3370 PWs) bands (ev): -33.2999 -33.2999 -33.2966 -33.2966 -14.5969 -14.5969 -14.5898 -14.5898 -14.2457 -14.2457 -14.2402 -14.2402 -14.1709 -14.1709 -14.1629 -14.1629 -2.1805 -2.1805 1.6160 1.6160 5.2194 5.2194 5.9301 5.9301 6.7187 6.7187 7.8368 7.8368 7.8964 7.8964 9.1137 9.1137 9.6736 9.6736 10.3563 10.3563 k =-0.4435 0.3455-0.0000 ( 3370 PWs) bands (ev): -33.2999 -33.2999 -33.2965 -33.2965 -14.5977 -14.5977 -14.5897 -14.5897 -14.2463 -14.2463 -14.2403 -14.2403 -14.1713 -14.1713 -14.1624 -14.1624 -2.1730 -2.1730 1.6343 1.6343 5.1442 5.1442 5.9246 5.9246 6.7141 6.7141 7.9026 7.9026 7.9098 7.9098 8.9882 8.9882 9.6866 9.6866 10.3109 10.3109 k =-0.4365 0.3621-0.0000 ( 3364 PWs) bands (ev): -33.3000 -33.3000 -33.2964 -33.2964 -14.5986 -14.5986 -14.5895 -14.5895 -14.2469 -14.2469 -14.2403 -14.2403 -14.1717 -14.1717 -14.1618 -14.1618 -2.1646 -2.1646 1.6548 1.6548 5.0648 5.0648 5.9186 5.9186 6.7088 6.7088 7.9208 7.9208 7.9733 7.9733 8.8659 8.8659 9.7022 9.7022 10.2634 10.2634 k =-0.4294 0.3787-0.0000 ( 3362 PWs) bands (ev): -33.3001 -33.3001 -33.2962 -33.2962 -14.5995 -14.5995 -14.5894 -14.5894 -14.2475 -14.2475 -14.2403 -14.2403 -14.1721 -14.1721 -14.1612 -14.1612 -2.1555 -2.1555 1.6777 1.6777 4.9823 4.9823 5.9120 5.9120 6.7027 6.7027 7.9311 7.9311 8.0446 8.0446 8.7488 8.7488 9.7206 9.7206 10.2147 10.2147 k =-0.4223 0.3953-0.0000 ( 3362 PWs) bands (ev): -33.3002 -33.3002 -33.2961 -33.2961 -14.6004 -14.6004 -14.5893 -14.5893 -14.2483 -14.2483 -14.2404 -14.2404 -14.1725 -14.1725 -14.1606 -14.1606 -2.1456 -2.1456 1.7027 1.7027 4.8977 4.8977 5.9051 5.9051 6.6959 6.6959 7.9368 7.9368 8.1168 8.1168 8.6398 8.6398 9.7421 9.7421 10.1653 10.1653 k =-0.4153 0.4119-0.0000 ( 3358 PWs) bands (ev): -33.3004 -33.3004 -33.2959 -33.2959 -14.6014 -14.6014 -14.5892 -14.5892 -14.2490 -14.2490 -14.2405 -14.2405 -14.1729 -14.1729 -14.1598 -14.1598 -2.1352 -2.1352 1.7298 1.7298 4.8118 4.8118 5.8978 5.8978 6.6882 6.6882 7.9340 7.9340 8.1891 8.1891 8.5433 8.5433 9.7669 9.7669 10.1159 10.1159 k =-0.4082 0.4285-0.0000 ( 3356 PWs) bands (ev): -33.3005 -33.3005 -33.2957 -33.2957 -14.6024 -14.6024 -14.5892 -14.5892 -14.2498 -14.2498 -14.2406 -14.2406 -14.1734 -14.1734 -14.1591 -14.1591 -2.1241 -2.1241 1.7590 1.7590 4.7253 4.7253 5.8902 5.8902 6.6797 6.6797 7.9167 7.9167 8.2609 8.2609 8.4652 8.4652 9.7952 9.7952 10.0669 10.0669 k =-0.4011 0.4451-0.0000 ( 3364 PWs) bands (ev): -33.3006 -33.3006 -33.2955 -33.2955 -14.6035 -14.6035 -14.5892 -14.5892 -14.2506 -14.2506 -14.2407 -14.2407 -14.1739 -14.1739 -14.1584 -14.1584 -2.1126 -2.1126 1.7901 1.7901 4.6387 4.6387 5.8824 5.8824 6.6704 6.6704 7.8792 7.8792 8.3316 8.3316 8.4116 8.4116 9.8269 9.8269 10.0186 10.0186 k =-0.3941 0.4617-0.0000 ( 3364 PWs) bands (ev): -33.3008 -33.3008 -33.2953 -33.2953 -14.6046 -14.6046 -14.5892 -14.5892 -14.2515 -14.2515 -14.2408 -14.2408 -14.1743 -14.1743 -14.1576 -14.1576 -2.1007 -2.1007 1.8231 1.8231 4.5526 4.5526 5.8745 5.8745 6.6603 6.6603 7.8194 7.8194 8.3846 8.3846 8.4011 8.4011 9.8622 9.8622 9.9715 9.9715 k =-0.3870 0.4783-0.0000 ( 3360 PWs) bands (ev): -33.3009 -33.3009 -33.2951 -33.2951 -14.6056 -14.6056 -14.5891 -14.5891 -14.2524 -14.2524 -14.2409 -14.2409 -14.1748 -14.1748 -14.1567 -14.1567 -2.0885 -2.0885 1.8578 1.8578 4.4676 4.4676 5.8665 5.8665 6.6494 6.6494 7.7413 7.7413 8.3805 8.3805 8.4689 8.4689 9.8999 9.8999 9.9268 9.9268 k =-0.3800 0.4949-0.0000 ( 3360 PWs) bands (ev): -33.3011 -33.3011 -33.2948 -33.2948 -14.6067 -14.6067 -14.5891 -14.5891 -14.2533 -14.2533 -14.2410 -14.2410 -14.1753 -14.1753 -14.1559 -14.1559 -2.0761 -2.0761 1.8942 1.8942 4.3839 4.3839 5.8585 5.8585 6.6376 6.6376 7.6511 7.6511 8.3929 8.3929 8.5351 8.5351 9.8800 9.8800 9.9446 9.9446 k =-0.3729 0.5115-0.0000 ( 3352 PWs) bands (ev): -33.3013 -33.3013 -33.2946 -33.2946 -14.6078 -14.6078 -14.5890 -14.5890 -14.2542 -14.2542 -14.2410 -14.2410 -14.1759 -14.1759 -14.1550 -14.1550 -2.0637 -2.0637 1.9321 1.9321 4.3021 4.3021 5.8506 5.8506 6.6250 6.6250 7.5543 7.5543 8.4165 8.4165 8.5997 8.5997 9.8376 9.8376 9.9898 9.9898 k =-0.3658 0.5281-0.0000 ( 3352 PWs) bands (ev): -33.3015 -33.3015 -33.2943 -33.2943 -14.6090 -14.6090 -14.5889 -14.5889 -14.2552 -14.2552 -14.2410 -14.2410 -14.1764 -14.1764 -14.1541 -14.1541 -2.0513 -2.0513 1.9714 1.9714 4.2224 4.2224 5.8428 5.8428 6.6116 6.6116 7.4545 7.4545 8.4476 8.4476 8.6628 8.6628 9.7968 9.7968 10.0383 10.0383 k =-0.3588 0.5447-0.0000 ( 3364 PWs) bands (ev): -33.3017 -33.3017 -33.2941 -33.2941 -14.6102 -14.6102 -14.5889 -14.5889 -14.2563 -14.2563 -14.2411 -14.2411 -14.1770 -14.1770 -14.1532 -14.1532 -2.0390 -2.0390 2.0119 2.0119 4.1451 4.1451 5.8353 5.8353 6.5975 6.5975 7.3539 7.3539 8.4840 8.4840 8.7244 8.7244 9.7579 9.7579 10.0894 10.0894 k =-0.3517 0.5613-0.0000 ( 3363 PWs) bands (ev): -33.3019 -33.3019 -33.2938 -33.2938 -14.6113 -14.6113 -14.5888 -14.5888 -14.2573 -14.2573 -14.2410 -14.2410 -14.1775 -14.1775 -14.1523 -14.1523 -2.0271 -2.0271 2.0534 2.0534 4.0706 4.0706 5.8280 5.8280 6.5826 6.5826 7.2541 7.2541 8.5242 8.5242 8.7848 8.7848 9.7211 9.7211 10.1424 10.1424 k =-0.3447 0.5779-0.0000 ( 3371 PWs) bands (ev): -33.3021 -33.3021 -33.2935 -33.2935 -14.6125 -14.6125 -14.5887 -14.5887 -14.2584 -14.2584 -14.2410 -14.2410 -14.1781 -14.1781 -14.1514 -14.1514 -2.0155 -2.0155 2.0959 2.0959 3.9991 3.9991 5.8211 5.8211 6.5670 6.5670 7.1561 7.1561 8.5670 8.5670 8.8442 8.8442 9.6864 9.6864 10.1761 10.1761 k =-0.3376 0.5945-0.0000 ( 3375 PWs) bands (ev): -33.3024 -33.3024 -33.2932 -33.2932 -14.6137 -14.6137 -14.5885 -14.5885 -14.2596 -14.2596 -14.2409 -14.2409 -14.1787 -14.1787 -14.1505 -14.1505 -2.0045 -2.0045 2.1390 2.1390 3.9309 3.9309 5.8146 5.8146 6.5508 6.5508 7.0605 7.0605 8.6116 8.6116 8.9029 8.9029 9.6541 9.6541 10.1597 10.1597 k =-0.3305 0.6111-0.0000 ( 3371 PWs) bands (ev): -33.3026 -33.3026 -33.2929 -33.2929 -14.6148 -14.6148 -14.5883 -14.5883 -14.2607 -14.2607 -14.2406 -14.2406 -14.1792 -14.1792 -14.1495 -14.1495 -1.9942 -1.9942 2.1826 2.1826 3.8663 3.8663 5.8085 5.8085 6.5340 6.5340 6.9679 6.9679 8.6573 8.6573 8.9612 8.9612 9.6241 9.6241 10.1433 10.1433 k =-0.3235 0.6277-0.0000 ( 3367 PWs) bands (ev): -33.3028 -33.3028 -33.2927 -33.2927 -14.6159 -14.6159 -14.5880 -14.5880 -14.2619 -14.2619 -14.2404 -14.2404 -14.1798 -14.1798 -14.1485 -14.1485 -1.9846 -1.9846 2.2265 2.2265 3.8054 3.8054 5.8030 5.8030 6.5167 6.5167 6.8788 6.8788 8.7034 8.7034 9.0192 9.0192 9.5966 9.5966 10.1283 10.1283 k =-0.3164 0.6443-0.0000 ( 3365 PWs) bands (ev): -33.3031 -33.3031 -33.2924 -33.2924 -14.6171 -14.6171 -14.5876 -14.5876 -14.2631 -14.2631 -14.2401 -14.2401 -14.1804 -14.1804 -14.1475 -14.1475 -1.9760 -1.9760 2.2704 2.2704 3.7484 3.7484 5.7980 5.7980 6.4989 6.4989 6.7936 6.7936 8.7491 8.7491 9.0773 9.0773 9.5716 9.5716 10.1152 10.1152 k =-0.3094 0.6609-0.0000 ( 3361 PWs) bands (ev): -33.3033 -33.3033 -33.2920 -33.2920 -14.6182 -14.6182 -14.5872 -14.5872 -14.2643 -14.2643 -14.2397 -14.2397 -14.1809 -14.1809 -14.1465 -14.1465 -1.9684 -1.9684 2.3140 2.3140 3.6956 3.6956 5.7936 5.7936 6.4806 6.4806 6.7126 6.7126 8.7936 8.7936 9.1355 9.1355 9.5491 9.5491 10.1046 10.1046 k =-0.3023 0.6775-0.0000 ( 3361 PWs) bands (ev): -33.3036 -33.3036 -33.2917 -33.2917 -14.6194 -14.6194 -14.5867 -14.5867 -14.2655 -14.2655 -14.2393 -14.2393 -14.1815 -14.1815 -14.1455 -14.1455 -1.9619 -1.9619 2.3571 2.3571 3.6472 3.6472 5.7898 5.7898 6.4619 6.4619 6.6363 6.6363 8.8362 8.8362 9.1941 9.1941 9.5291 9.5291 10.0970 10.0970 k =-0.2952 0.6941-0.0000 ( 3363 PWs) bands (ev): -33.3039 -33.3039 -33.2914 -33.2914 -14.6205 -14.6205 -14.5861 -14.5861 -14.2668 -14.2668 -14.2388 -14.2388 -14.1821 -14.1821 -14.1445 -14.1445 -1.9567 -1.9567 2.3994 2.3994 3.6033 3.6033 5.7867 5.7867 6.4429 6.4429 6.5649 6.5649 8.8757 8.8757 9.2533 9.2533 9.5118 9.5118 10.0930 10.0930 k =-0.2952 0.6941-0.0000 ( 3363 PWs) bands (ev): -33.3039 -33.3039 -33.2914 -33.2914 -14.6205 -14.6205 -14.5861 -14.5861 -14.2668 -14.2668 -14.2388 -14.2388 -14.1821 -14.1821 -14.1445 -14.1445 -1.9567 -1.9567 2.3994 2.3994 3.6033 3.6033 5.7867 5.7867 6.4429 6.4429 6.5649 6.5649 8.8757 8.8757 9.2533 9.2533 9.5118 9.5118 10.0930 10.0930 k =-0.2952 0.6941 0.0182 ( 3362 PWs) bands (ev): -33.3038 -33.3038 -33.2914 -33.2914 -14.6205 -14.6205 -14.5862 -14.5862 -14.2668 -14.2668 -14.2388 -14.2388 -14.1822 -14.1822 -14.1446 -14.1446 -1.9555 -1.9555 2.3993 2.3993 3.6047 3.6047 5.7758 5.7758 6.4428 6.4428 6.5668 6.5668 8.8879 8.8879 9.2356 9.2356 9.5279 9.5279 10.0851 10.0851 k =-0.2952 0.6941 0.0365 ( 3360 PWs) bands (ev): -33.3038 -33.3038 -33.2914 -33.2914 -14.6205 -14.6205 -14.5862 -14.5862 -14.2670 -14.2670 -14.2387 -14.2387 -14.1823 -14.1823 -14.1448 -14.1448 -1.9518 -1.9518 2.3989 2.3989 3.6089 3.6089 5.7438 5.7438 6.4425 6.4425 6.5721 6.5721 8.9237 8.9237 9.1915 9.1915 9.5671 9.5671 10.0625 10.0625 k =-0.2952 0.6941 0.0547 ( 3358 PWs) bands (ev): -33.3037 -33.3037 -33.2914 -33.2914 -14.6205 -14.6205 -14.5864 -14.5864 -14.2673 -14.2673 -14.2386 -14.2386 -14.1826 -14.1826 -14.1451 -14.1451 -1.9456 -1.9456 2.3982 2.3982 3.6160 3.6160 5.6928 5.6928 6.4419 6.4419 6.5801 6.5801 8.9818 8.9818 9.1339 9.1339 9.6164 9.6164 10.0278 10.0278 k =-0.2952 0.6941 0.0730 ( 3362 PWs) bands (ev): -33.3037 -33.3037 -33.2914 -33.2914 -14.6205 -14.6205 -14.5866 -14.5866 -14.2677 -14.2677 -14.2385 -14.2385 -14.1830 -14.1830 -14.1456 -14.1456 -1.9370 -1.9370 2.3971 2.3971 3.6259 3.6259 5.6257 5.6257 6.4410 6.4410 6.5901 6.5901 9.0590 9.0590 9.0705 9.0705 9.6691 9.6691 9.9840 9.9840 k =-0.2952 0.6941 0.0912 ( 3366 PWs) bands (ev): -33.3036 -33.3036 -33.2914 -33.2914 -14.6204 -14.6204 -14.5869 -14.5869 -14.2682 -14.2682 -14.2384 -14.2384 -14.1835 -14.1835 -14.1462 -14.1462 -1.9259 -1.9259 2.3954 2.3954 3.6386 3.6386 5.5457 5.5457 6.4396 6.4396 6.6013 6.6013 9.0021 9.0021 9.1548 9.1548 9.7221 9.7221 9.9339 9.9339 k =-0.2952 0.6941 0.1094 ( 3360 PWs) bands (ev): -33.3034 -33.3034 -33.2913 -33.2913 -14.6204 -14.6204 -14.5872 -14.5872 -14.2688 -14.2688 -14.2383 -14.2383 -14.1841 -14.1841 -14.1469 -14.1469 -1.9124 -1.9124 2.3929 2.3929 3.6541 3.6541 5.4557 5.4557 6.4378 6.4378 6.6132 6.6132 8.9328 8.9328 9.2635 9.2635 9.7737 9.7737 9.8800 9.8800 k =-0.2952 0.6941 0.1277 ( 3366 PWs) bands (ev): -33.3033 -33.3033 -33.2913 -33.2913 -14.6204 -14.6204 -14.5876 -14.5876 -14.2695 -14.2695 -14.2381 -14.2381 -14.1848 -14.1848 -14.1478 -14.1478 -1.8964 -1.8964 2.3893 2.3893 3.6723 3.6723 5.3585 5.3585 6.4352 6.4352 6.6254 6.6254 8.8626 8.8626 9.3820 9.3820 9.8187 9.8187 9.8292 9.8292 k =-0.2952 0.6941 0.1459 ( 3369 PWs) bands (ev): -33.3031 -33.3031 -33.2912 -33.2912 -14.6204 -14.6204 -14.5881 -14.5881 -14.2703 -14.2703 -14.2380 -14.2380 -14.1856 -14.1856 -14.1487 -14.1487 -1.8779 -1.8779 2.3844 2.3844 3.6932 3.6932 5.2566 5.2566 6.4316 6.4316 6.6378 6.6378 8.7925 8.7925 9.5027 9.5027 9.7732 9.7732 9.8706 9.8706 k =-0.2952 0.6941 0.1642 ( 3372 PWs) bands (ev): -33.3029 -33.3029 -33.2912 -33.2912 -14.6203 -14.6203 -14.5886 -14.5886 -14.2711 -14.2711 -14.2378 -14.2378 -14.1864 -14.1864 -14.1498 -14.1498 -1.8570 -1.8570 2.3777 2.3777 3.7169 3.7169 5.1521 5.1521 6.4270 6.4270 6.6502 6.6502 8.7229 8.7229 9.5950 9.5950 9.7556 9.7556 9.9142 9.9142 k =-0.2952 0.6941 0.1824 ( 3374 PWs) bands (ev): -33.3027 -33.3027 -33.2911 -33.2911 -14.6203 -14.6203 -14.5892 -14.5892 -14.2720 -14.2720 -14.2377 -14.2377 -14.1874 -14.1874 -14.1509 -14.1509 -1.8336 -1.8336 2.3689 2.3689 3.7432 3.7432 5.0468 5.0468 6.4210 6.4210 6.6623 6.6623 8.6545 8.6545 9.5900 9.5900 9.8380 9.8380 9.9544 9.9544 k =-0.2952 0.6941 0.2007 ( 3372 PWs) bands (ev): -33.3024 -33.3024 -33.2911 -33.2911 -14.6203 -14.6203 -14.5898 -14.5898 -14.2730 -14.2730 -14.2376 -14.2376 -14.1884 -14.1884 -14.1521 -14.1521 -1.8078 -1.8078 2.3573 2.3573 3.7721 3.7721 4.9426 4.9426 6.4133 6.4133 6.6739 6.6739 8.5879 8.5879 9.5389 9.5389 9.9666 9.9666 9.9912 9.9912 k =-0.2952 0.6941 0.2189 ( 3368 PWs) bands (ev): -33.3021 -33.3021 -33.2910 -33.2910 -14.6203 -14.6203 -14.5904 -14.5904 -14.2740 -14.2740 -14.2375 -14.2375 -14.1895 -14.1895 -14.1533 -14.1533 -1.7795 -1.7795 2.3425 2.3425 3.8036 3.8036 4.8408 4.8408 6.4037 6.4037 6.6849 6.6849 8.5235 8.5235 9.4794 9.4794 10.0237 10.0237 10.1022 10.1022 k =-0.2952 0.6941 0.2371 ( 3372 PWs) bands (ev): -33.3019 -33.3019 -33.2910 -33.2910 -14.6203 -14.6203 -14.5912 -14.5912 -14.2750 -14.2750 -14.2374 -14.2374 -14.1906 -14.1906 -14.1547 -14.1547 -1.7488 -1.7488 2.3238 2.3238 3.8376 3.8376 4.7429 4.7429 6.3918 6.3918 6.6949 6.6949 8.4619 8.4619 9.4179 9.4179 10.0531 10.0531 10.2344 10.2344 k =-0.2952 0.6941 0.2554 ( 3373 PWs) bands (ev): -33.3016 -33.3016 -33.2909 -33.2909 -14.6204 -14.6204 -14.5920 -14.5920 -14.2760 -14.2760 -14.2374 -14.2374 -14.1918 -14.1918 -14.1560 -14.1560 -1.7157 -1.7157 2.3005 2.3005 3.8740 3.8740 4.6502 4.6502 6.3772 6.3772 6.7037 6.7037 8.4036 8.4036 9.3565 9.3565 10.0791 10.0791 10.3587 10.3587 k =-0.2952 0.6941 0.2736 ( 3371 PWs) bands (ev): -33.3013 -33.3013 -33.2908 -33.2908 -14.6204 -14.6204 -14.5928 -14.5928 -14.2771 -14.2771 -14.2374 -14.2374 -14.1930 -14.1930 -14.1574 -14.1574 -1.6801 -1.6801 2.2722 2.2722 3.9129 3.9129 4.5639 4.5639 6.3597 6.3597 6.7108 6.7108 8.3491 8.3491 9.2960 9.2960 10.1021 10.1021 10.4715 10.4715 k =-0.2952 0.6941 0.2919 ( 3367 PWs) bands (ev): -33.3009 -33.3009 -33.2908 -33.2908 -14.6204 -14.6204 -14.5937 -14.5937 -14.2781 -14.2781 -14.2375 -14.2375 -14.1942 -14.1942 -14.1588 -14.1588 -1.6421 -1.6421 2.2381 2.2381 3.9541 3.9541 4.4849 4.4849 6.3389 6.3389 6.7159 6.7159 8.2990 8.2990 9.2369 9.2369 10.1223 10.1223 10.5698 10.5698 k =-0.2952 0.6941 0.3101 ( 3373 PWs) bands (ev): -33.3006 -33.3006 -33.2907 -33.2907 -14.6205 -14.6205 -14.5946 -14.5946 -14.2792 -14.2792 -14.2376 -14.2376 -14.1954 -14.1954 -14.1602 -14.1602 -1.6017 -1.6017 2.1977 2.1977 3.9975 3.9975 4.4142 4.4142 6.3147 6.3147 6.7186 6.7186 8.2535 8.2535 9.1799 9.1799 10.1403 10.1403 10.6521 10.6521 k =-0.2952 0.6941 0.3283 ( 3375 PWs) bands (ev): -33.3002 -33.3002 -33.2907 -33.2907 -14.6206 -14.6206 -14.5956 -14.5956 -14.2802 -14.2802 -14.2378 -14.2378 -14.1967 -14.1967 -14.1616 -14.1616 -1.5588 -1.5588 2.1507 2.1507 4.0431 4.0431 4.3524 4.3524 6.2866 6.2866 6.7184 6.7184 8.2132 8.2132 9.1252 9.1252 10.1564 10.1564 10.7181 10.7181 k =-0.2952 0.6941 0.3466 ( 3376 PWs) bands (ev): -33.2999 -33.2999 -33.2906 -33.2906 -14.6207 -14.6207 -14.5967 -14.5967 -14.2812 -14.2812 -14.2381 -14.2381 -14.1979 -14.1979 -14.1630 -14.1630 -1.5136 -1.5136 2.0968 2.0968 4.0909 4.0909 4.2999 4.2999 6.2547 6.2547 6.7150 6.7150 8.1781 8.1781 9.0732 9.0732 10.1711 10.1711 10.7693 10.7693 k =-0.2952 0.6941 0.3648 ( 3370 PWs) bands (ev): -33.2995 -33.2995 -33.2905 -33.2905 -14.6208 -14.6208 -14.5977 -14.5977 -14.2822 -14.2822 -14.2384 -14.2384 -14.1990 -14.1990 -14.1643 -14.1643 -1.4660 -1.4660 2.0362 2.0362 4.1406 4.1406 4.2570 4.2570 6.2189 6.2189 6.7080 6.7080 8.1486 8.1486 9.0243 9.0243 10.1848 10.1848 10.8077 10.8077 k =-0.2952 0.6941 0.3831 ( 3370 PWs) bands (ev): -33.2991 -33.2991 -33.2905 -33.2905 -14.6209 -14.6209 -14.5988 -14.5988 -14.2831 -14.2831 -14.2388 -14.2388 -14.2002 -14.2002 -14.1656 -14.1656 -1.4159 -1.4159 1.9689 1.9689 4.1922 4.1922 4.2236 4.2236 6.1793 6.1793 6.6969 6.6969 8.1247 8.1247 8.9785 8.9785 10.1979 10.1979 10.8359 10.8359 k =-0.2952 0.6941 0.4013 ( 3370 PWs) bands (ev): -33.2988 -33.2988 -33.2905 -33.2905 -14.6211 -14.6211 -14.5999 -14.5999 -14.2840 -14.2840 -14.2392 -14.2392 -14.2014 -14.2014 -14.1668 -14.1668 -1.3635 -1.3635 1.8953 1.8953 4.1994 4.1994 4.2456 4.2456 6.1358 6.1358 6.6816 6.6816 8.1063 8.1063 8.9360 8.9360 10.2105 10.2105 10.8566 10.8566 k =-0.2952 0.6941 0.4196 ( 3370 PWs) bands (ev): -33.2984 -33.2984 -33.2904 -33.2904 -14.6212 -14.6212 -14.6011 -14.6011 -14.2848 -14.2848 -14.2398 -14.2398 -14.2025 -14.2025 -14.1680 -14.1680 -1.3088 -1.3088 1.8160 1.8160 4.1841 4.1841 4.3006 4.3006 6.0889 6.0889 6.6617 6.6617 8.0933 8.0933 8.8967 8.8967 10.2232 10.2232 10.8719 10.8719 k =-0.2952 0.6941 0.4378 ( 3376 PWs) bands (ev): -33.2980 -33.2980 -33.2904 -33.2904 -14.6214 -14.6214 -14.6023 -14.6023 -14.2856 -14.2856 -14.2404 -14.2404 -14.2036 -14.2036 -14.1691 -14.1691 -1.2517 -1.2517 1.7317 1.7317 4.1771 4.1771 4.3571 4.3571 6.0389 6.0389 6.6370 6.6370 8.0855 8.0855 8.8607 8.8607 10.2360 10.2360 10.8839 10.8839 k =-0.2952 0.6941 0.4560 ( 3376 PWs) bands (ev): -33.2976 -33.2976 -33.2904 -33.2904 -14.6216 -14.6216 -14.6034 -14.6034 -14.2863 -14.2863 -14.2410 -14.2410 -14.2046 -14.2046 -14.1702 -14.1702 -1.1922 -1.1922 1.6429 1.6429 4.1778 4.1778 4.4149 4.4149 5.9861 5.9861 6.6076 6.6076 8.0827 8.0827 8.8276 8.8276 10.2493 10.2493 10.8940 10.8940 k =-0.2952 0.6941 0.4743 ( 3374 PWs) bands (ev): -33.2972 -33.2972 -33.2904 -33.2904 -14.6217 -14.6217 -14.6046 -14.6046 -14.2869 -14.2869 -14.2417 -14.2417 -14.2055 -14.2055 -14.1712 -14.1712 -1.1304 -1.1304 1.5505 1.5505 4.1855 4.1855 4.4738 4.4738 5.9311 5.9311 6.5734 6.5734 8.0845 8.0845 8.7973 8.7973 10.2633 10.2633 10.9035 10.9035 k =-0.2952 0.6941 0.4925 ( 3370 PWs) bands (ev): -33.2968 -33.2968 -33.2904 -33.2904 -14.6219 -14.6219 -14.6058 -14.6058 -14.2875 -14.2875 -14.2424 -14.2424 -14.2064 -14.2064 -14.1721 -14.1721 -1.0663 -1.0663 1.4550 1.4550 4.1997 4.1997 4.5334 4.5334 5.8744 5.8744 6.5346 6.5346 8.0905 8.0905 8.7695 8.7695 10.2782 10.2782 10.9134 10.9134 k =-0.2952 0.6941 0.5108 ( 3366 PWs) bands (ev): -33.2964 -33.2964 -33.2905 -33.2905 -14.6220 -14.6220 -14.6069 -14.6069 -14.2880 -14.2880 -14.2431 -14.2431 -14.2073 -14.2073 -14.1729 -14.1729 -1.0000 -1.0000 1.3571 1.3571 4.2196 4.2196 4.5935 4.5935 5.8167 5.8167 6.4914 6.4914 8.1004 8.1004 8.7435 8.7435 10.2941 10.2941 10.9240 10.9240 k =-0.2952 0.6941 0.5290 ( 3372 PWs) bands (ev): -33.2960 -33.2960 -33.2905 -33.2905 -14.6222 -14.6222 -14.6080 -14.6080 -14.2884 -14.2884 -14.2439 -14.2439 -14.2081 -14.2081 -14.1737 -14.1737 -0.9313 -0.9313 1.2573 1.2573 4.2447 4.2447 4.6535 4.6535 5.7587 5.7587 6.4439 6.4439 8.1138 8.1138 8.7191 8.7191 10.3111 10.3111 10.9352 10.9352 k =-0.2952 0.6941 0.5472 ( 3366 PWs) bands (ev): -33.2957 -33.2957 -33.2906 -33.2906 -14.6223 -14.6223 -14.6091 -14.6091 -14.2888 -14.2888 -14.2446 -14.2446 -14.2088 -14.2088 -14.1744 -14.1744 -0.8604 -0.8604 1.1563 1.1563 4.2745 4.2745 4.7127 4.7127 5.7015 5.7015 6.3926 6.3926 8.1303 8.1303 8.6958 8.6958 10.3294 10.3294 10.9460 10.9460 k =-0.2952 0.6941 0.5655 ( 3367 PWs) bands (ev): -33.2953 -33.2953 -33.2906 -33.2906 -14.6224 -14.6224 -14.6102 -14.6102 -14.2891 -14.2891 -14.2454 -14.2454 -14.2095 -14.2095 -14.1750 -14.1750 -0.7873 -0.7873 1.0544 1.0544 4.3085 4.3085 4.7701 4.7701 5.6462 5.6462 6.3378 6.3378 8.1496 8.1496 8.6730 8.6730 10.3491 10.3491 10.9528 10.9528 k =-0.2952 0.6941 0.5837 ( 3364 PWs) bands (ev): -33.2949 -33.2949 -33.2907 -33.2907 -14.6225 -14.6225 -14.6113 -14.6113 -14.2894 -14.2894 -14.2461 -14.2461 -14.2102 -14.2102 -14.1756 -14.1756 -0.7120 -0.7120 0.9521 0.9521 4.3462 4.3462 4.8242 4.8242 5.5945 5.5945 6.2800 6.2800 8.1713 8.1713 8.6505 8.6505 10.3704 10.3704 10.9495 10.9495 k =-0.2952 0.6941 0.6020 ( 3364 PWs) bands (ev): -33.2946 -33.2946 -33.2908 -33.2908 -14.6225 -14.6225 -14.6123 -14.6123 -14.2896 -14.2896 -14.2468 -14.2468 -14.2107 -14.2107 -14.1761 -14.1761 -0.6345 -0.6345 0.8497 0.8497 4.3873 4.3873 4.8727 4.8727 5.5491 5.5491 6.2194 6.2194 8.1949 8.1949 8.6278 8.6278 10.3931 10.3931 10.9314 10.9314 k =-0.2952 0.6941 0.6202 ( 3362 PWs) bands (ev): -33.2942 -33.2942 -33.2909 -33.2909 -14.6225 -14.6225 -14.6132 -14.6132 -14.2898 -14.2898 -14.2474 -14.2474 -14.2113 -14.2113 -14.1765 -14.1765 -0.5550 -0.5550 0.7475 0.7475 4.4313 4.4313 4.9123 4.9123 5.5132 5.5132 6.1566 6.1566 8.2203 8.2203 8.6046 8.6046 10.4176 10.4176 10.9020 10.9020 k =-0.2952 0.6941 0.6385 ( 3365 PWs) bands (ev): -33.2939 -33.2939 -33.2911 -33.2911 -14.6225 -14.6225 -14.6141 -14.6141 -14.2899 -14.2899 -14.2480 -14.2480 -14.2117 -14.2117 -14.1769 -14.1769 -0.4733 -0.4733 0.6458 0.6458 4.4778 4.4778 4.9387 4.9387 5.4914 5.4914 6.0919 6.0919 8.2471 8.2471 8.5808 8.5808 10.4437 10.4437 10.8665 10.8665 k =-0.2952 0.6941 0.6567 ( 3361 PWs) bands (ev): -33.2936 -33.2936 -33.2912 -33.2912 -14.6225 -14.6225 -14.6148 -14.6148 -14.2900 -14.2900 -14.2485 -14.2485 -14.2121 -14.2121 -14.1771 -14.1771 -0.3896 -0.3896 0.5449 0.5449 4.5264 4.5264 4.9481 4.9481 5.4877 5.4877 6.0259 6.0259 8.2749 8.2749 8.5562 8.5562 10.4715 10.4715 10.8282 10.8282 k =-0.2952 0.6941 0.6749 ( 3362 PWs) bands (ev): -33.2933 -33.2933 -33.2914 -33.2914 -14.6224 -14.6224 -14.6155 -14.6155 -14.2901 -14.2901 -14.2490 -14.2490 -14.2124 -14.2124 -14.1774 -14.1774 -0.3039 -0.3039 0.4449 0.4449 4.5768 4.5768 4.9391 4.9391 5.5033 5.5033 5.9591 5.9591 8.3035 8.3035 8.5307 8.5307 10.5010 10.5010 10.7889 10.7889 k =-0.2952 0.6941 0.6932 ( 3368 PWs) bands (ev): -33.2930 -33.2930 -33.2916 -33.2916 -14.6223 -14.6223 -14.6161 -14.6161 -14.2901 -14.2901 -14.2493 -14.2493 -14.2127 -14.2127 -14.1776 -14.1776 -0.2162 -0.2162 0.3460 0.3460 4.6284 4.6284 4.9141 4.9141 5.5360 5.5360 5.8919 5.8919 8.3326 8.3326 8.5043 8.5043 10.5322 10.5322 10.7494 10.7494 k =-0.2952 0.6941 0.7114 ( 3372 PWs) bands (ev): -33.2927 -33.2927 -33.2918 -33.2918 -14.6223 -14.6223 -14.6165 -14.6165 -14.2902 -14.2902 -14.2496 -14.2496 -14.2129 -14.2129 -14.1777 -14.1777 -0.1267 -0.1267 0.2485 0.2485 4.6807 4.6807 4.8775 4.8775 5.5815 5.5815 5.8251 5.8251 8.3619 8.3619 8.4770 8.4770 10.5650 10.5650 10.7104 10.7104 k =-0.2952 0.6941 0.7297 ( 3374 PWs) bands (ev): -33.2925 -33.2925 -33.2920 -33.2920 -14.6222 -14.6222 -14.6168 -14.6168 -14.2902 -14.2902 -14.2497 -14.2497 -14.2130 -14.2130 -14.1778 -14.1778 -0.0354 -0.0354 0.1523 0.1523 4.7330 4.7330 4.8333 4.8333 5.6358 5.6358 5.7594 5.7594 8.3911 8.3911 8.4491 8.4491 10.5993 10.5993 10.6722 10.6722 k =-0.2952 0.6941 0.7479 ( 3372 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6222 -14.6222 -14.6169 -14.6169 -14.2902 -14.2902 -14.2498 -14.2498 -14.2130 -14.2130 -14.1778 -14.1778 0.0562 0.0562 0.0590 0.0590 4.7809 4.7809 4.7878 4.7878 5.6950 5.6950 5.6966 5.6966 8.4178 8.4178 8.4228 8.4228 10.6341 10.6341 10.6361 10.6361 k =-0.2952 0.6941 0.7479 ( 3372 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6222 -14.6222 -14.6169 -14.6169 -14.2902 -14.2902 -14.2498 -14.2498 -14.2130 -14.2130 -14.1778 -14.1778 0.0562 0.0562 0.0590 0.0590 4.7809 4.7809 4.7878 4.7878 5.6950 5.6950 5.6966 5.6966 8.4178 8.4178 8.4228 8.4228 10.6341 10.6341 10.6361 10.6361 k =-0.3023 0.6775 0.7479 ( 3376 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6224 -14.6224 -14.6171 -14.6171 -14.2905 -14.2905 -14.2507 -14.2507 -14.2116 -14.2116 -14.1769 -14.1769 0.0570 0.0570 0.0599 0.0599 4.7535 4.7535 4.7602 4.7602 5.7159 5.7159 5.7178 5.7178 8.4440 8.4440 8.4486 8.4486 10.5548 10.5548 10.5568 10.5568 k =-0.3094 0.6609 0.7479 ( 3372 PWs) bands (ev): -33.2922 -33.2922 -33.2922 -33.2922 -14.6225 -14.6225 -14.6173 -14.6173 -14.2908 -14.2908 -14.2516 -14.2516 -14.2102 -14.2102 -14.1760 -14.1760 0.0573 0.0573 0.0604 0.0604 4.7262 4.7262 4.7326 4.7326 5.7391 5.7391 5.7411 5.7411 8.4722 8.4722 8.4766 8.4766 10.4748 10.4748 10.4767 10.4767 k =-0.3164 0.6443 0.7479 ( 3368 PWs) bands (ev): -33.2923 -33.2923 -33.2923 -33.2923 -14.6227 -14.6227 -14.6175 -14.6175 -14.2909 -14.2909 -14.2524 -14.2524 -14.2087 -14.2087 -14.1752 -14.1752 0.0572 0.0572 0.0603 0.0603 4.6989 4.6989 4.7051 4.7051 5.7645 5.7645 5.7666 5.7666 8.5027 8.5027 8.5068 8.5068 10.3943 10.3943 10.3962 10.3962 k =-0.3235 0.6277 0.7479 ( 3360 PWs) bands (ev): -33.2923 -33.2923 -33.2923 -33.2923 -14.6228 -14.6228 -14.6177 -14.6177 -14.2910 -14.2910 -14.2533 -14.2533 -14.2072 -14.2072 -14.1744 -14.1744 0.0567 0.0567 0.0599 0.0599 4.6718 4.6718 4.6778 4.6778 5.7919 5.7919 5.7942 5.7942 8.5355 8.5355 8.5394 8.5394 10.3136 10.3136 10.3155 10.3155 k =-0.3305 0.6111 0.7479 ( 3364 PWs) bands (ev): -33.2923 -33.2923 -33.2923 -33.2923 -14.6229 -14.6229 -14.6179 -14.6179 -14.2910 -14.2910 -14.2542 -14.2542 -14.2057 -14.2057 -14.1736 -14.1736 0.0557 0.0557 0.0590 0.0590 4.6450 4.6450 4.6508 4.6508 5.8213 5.8213 5.8237 5.8237 8.5707 8.5707 8.5744 8.5744 10.2329 10.2329 10.2347 10.2347 k =-0.3376 0.5945 0.7479 ( 3360 PWs) bands (ev): -33.2923 -33.2923 -33.2923 -33.2923 -14.6230 -14.6230 -14.6181 -14.6181 -14.2910 -14.2910 -14.2551 -14.2551 -14.2041 -14.2041 -14.1729 -14.1729 0.0544 0.0544 0.0577 0.0577 4.6185 4.6185 4.6241 4.6241 5.8526 5.8526 5.8552 5.8552 8.6085 8.6085 8.6120 8.6120 10.1523 10.1523 10.1542 10.1542 k =-0.3447 0.5779 0.7479 ( 3360 PWs) bands (ev): -33.2924 -33.2924 -33.2924 -33.2924 -14.6230 -14.6230 -14.6183 -14.6183 -14.2909 -14.2909 -14.2559 -14.2559 -14.2026 -14.2026 -14.1722 -14.1722 0.0527 0.0527 0.0560 0.0560 4.5925 4.5925 4.5979 4.5979 5.8858 5.8858 5.8885 5.8885 8.6489 8.6489 8.6522 8.6522 10.0721 10.0721 10.0739 10.0739 k =-0.3517 0.5613 0.7479 ( 3360 PWs) bands (ev): -33.2924 -33.2924 -33.2924 -33.2924 -14.6231 -14.6231 -14.6185 -14.6185 -14.2907 -14.2907 -14.2568 -14.2568 -14.2011 -14.2011 -14.1716 -14.1716 0.0508 0.0508 0.0541 0.0541 4.5670 4.5670 4.5722 4.5722 5.9207 5.9207 5.9235 5.9235 8.6918 8.6918 8.6950 8.6950 9.9924 9.9924 9.9941 9.9941 k =-0.3588 0.5447 0.7479 ( 3368 PWs) bands (ev): -33.2924 -33.2924 -33.2924 -33.2924 -14.6232 -14.6232 -14.6187 -14.6187 -14.2904 -14.2904 -14.2577 -14.2577 -14.1996 -14.1996 -14.1711 -14.1711 0.0485 0.0485 0.0518 0.0518 4.5422 4.5422 4.5471 4.5471 5.9572 5.9572 5.9601 5.9601 8.7373 8.7373 8.7405 8.7405 9.9133 9.9133 9.9149 9.9149 k =-0.3658 0.5281 0.7479 ( 3376 PWs) bands (ev): -33.2924 -33.2924 -33.2924 -33.2924 -14.6233 -14.6233 -14.6189 -14.6189 -14.2901 -14.2901 -14.2586 -14.2586 -14.1980 -14.1980 -14.1706 -14.1706 0.0460 0.0460 0.0493 0.0493 4.5180 4.5180 4.5227 4.5227 5.9952 5.9952 5.9982 5.9982 8.7853 8.7853 8.7885 8.7885 9.8351 9.8351 9.8366 9.8366 k =-0.3729 0.5115 0.7479 ( 3378 PWs) bands (ev): -33.2925 -33.2925 -33.2925 -33.2925 -14.6233 -14.6233 -14.6191 -14.6191 -14.2897 -14.2897 -14.2594 -14.2594 -14.1965 -14.1965 -14.1702 -14.1702 0.0433 0.0433 0.0465 0.0465 4.4947 4.4947 4.4991 4.4991 6.0345 6.0345 6.0375 6.0375 8.8359 8.8359 8.8391 8.8391 9.7580 9.7580 9.7593 9.7593 k =-0.3800 0.4949 0.7479 ( 3378 PWs) bands (ev): -33.2925 -33.2925 -33.2925 -33.2925 -14.6233 -14.6233 -14.6193 -14.6193 -14.2893 -14.2893 -14.2602 -14.2602 -14.1950 -14.1950 -14.1698 -14.1698 0.0405 0.0405 0.0436 0.0436 4.4722 4.4722 4.4764 4.4764 6.0750 6.0750 6.0780 6.0780 8.8889 8.8889 8.8922 8.8922 9.6822 9.6822 9.6833 9.6833 k =-0.3870 0.4783 0.7479 ( 3382 PWs) bands (ev): -33.2925 -33.2925 -33.2925 -33.2925 -14.6233 -14.6233 -14.6195 -14.6195 -14.2888 -14.2888 -14.2611 -14.2611 -14.1935 -14.1935 -14.1694 -14.1694 0.0375 0.0375 0.0406 0.0406 4.4506 4.4506 4.4546 4.4546 6.1163 6.1163 6.1194 6.1194 8.9441 8.9441 8.9476 8.9476 9.6082 9.6082 9.6089 9.6089 k =-0.3941 0.4617 0.7479 ( 3386 PWs) bands (ev): -33.2926 -33.2926 -33.2926 -33.2926 -14.6233 -14.6233 -14.6197 -14.6197 -14.2882 -14.2882 -14.2620 -14.2620 -14.1920 -14.1920 -14.1692 -14.1692 0.0345 0.0345 0.0374 0.0374 4.4300 4.4300 4.4337 4.4337 6.1584 6.1584 6.1614 6.1614 9.0013 9.0013 9.0051 9.0051 9.5364 9.5364 9.5367 9.5367 k =-0.4011 0.4451 0.7479 ( 3386 PWs) bands (ev): -33.2926 -33.2926 -33.2926 -33.2926 -14.6233 -14.6233 -14.6199 -14.6199 -14.2876 -14.2876 -14.2628 -14.2628 -14.1905 -14.1905 -14.1690 -14.1690 0.0315 0.0315 0.0343 0.0343 4.4104 4.4104 4.4139 4.4139 6.2009 6.2009 6.2038 6.2038 9.0595 9.0595 9.0639 9.0639 9.4674 9.4674 9.4678 9.4678 k =-0.4082 0.4285 0.7479 ( 3384 PWs) bands (ev): -33.2926 -33.2926 -33.2926 -33.2926 -14.6233 -14.6233 -14.6201 -14.6201 -14.2869 -14.2869 -14.2637 -14.2637 -14.1891 -14.1891 -14.1689 -14.1689 0.0284 0.0284 0.0311 0.0311 4.3920 4.3920 4.3952 4.3952 6.2435 6.2435 6.2464 6.2464 9.1167 9.1167 9.1222 9.1222 9.4032 9.4032 9.4048 9.4048 k =-0.4153 0.4119 0.7479 ( 3380 PWs) bands (ev): -33.2926 -33.2926 -33.2926 -33.2926 -14.6233 -14.6233 -14.6203 -14.6203 -14.2862 -14.2862 -14.2645 -14.2645 -14.1876 -14.1876 -14.1688 -14.1688 0.0254 0.0254 0.0279 0.0279 4.3747 4.3747 4.3777 4.3777 6.2859 6.2859 6.2887 6.2887 9.1660 9.1660 9.1735 9.1735 9.3510 9.3510 9.3548 9.3548 k =-0.4223 0.3953 0.7479 ( 3388 PWs) bands (ev): -33.2927 -33.2927 -33.2927 -33.2927 -14.6233 -14.6233 -14.6205 -14.6205 -14.2855 -14.2855 -14.2654 -14.2654 -14.1862 -14.1862 -14.1688 -14.1688 0.0225 0.0225 0.0249 0.0249 4.3586 4.3586 4.3614 4.3614 6.3277 6.3277 6.3304 6.3304 9.1838 9.1838 9.1927 9.1927 9.3361 9.3361 9.3413 9.3413 k =-0.4294 0.3787 0.7479 ( 3384 PWs) bands (ev): -33.2927 -33.2927 -33.2927 -33.2927 -14.6232 -14.6232 -14.6207 -14.6207 -14.2847 -14.2847 -14.2663 -14.2663 -14.1848 -14.1848 -14.1689 -14.1689 0.0197 0.0197 0.0219 0.0219 4.3438 4.3438 4.3464 4.3464 6.3685 6.3685 6.3712 6.3712 9.1555 9.1555 9.1621 9.1621 9.3764 9.3764 9.3794 9.3794 k =-0.4365 0.3621 0.7479 ( 3392 PWs) bands (ev): -33.2927 -33.2927 -33.2927 -33.2927 -14.6232 -14.6232 -14.6209 -14.6209 -14.2839 -14.2839 -14.2672 -14.2672 -14.1835 -14.1835 -14.1691 -14.1691 0.0171 0.0171 0.0191 0.0191 4.3303 4.3303 4.3326 4.3326 6.4079 6.4079 6.4104 6.4104 9.1089 9.1089 9.1138 9.1138 9.4404 9.4404 9.4418 9.4418 k =-0.4435 0.3455 0.7479 ( 3394 PWs) bands (ev): -33.2927 -33.2927 -33.2927 -33.2927 -14.6231 -14.6231 -14.6211 -14.6211 -14.2830 -14.2830 -14.2681 -14.2681 -14.1822 -14.1822 -14.1693 -14.1693 0.0147 0.0147 0.0165 0.0165 4.3181 4.3181 4.3202 4.3202 6.4453 6.4453 6.4476 6.4476 9.0598 9.0598 9.0636 9.0636 9.5125 9.5125 9.5130 9.5130 k =-0.4506 0.3289 0.7479 ( 3398 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6231 -14.6231 -14.6212 -14.6212 -14.2821 -14.2821 -14.2691 -14.2691 -14.1810 -14.1810 -14.1696 -14.1696 0.0125 0.0125 0.0141 0.0141 4.3073 4.3073 4.3091 4.3091 6.4802 6.4802 6.4824 6.4824 9.0128 9.0128 9.0159 9.0159 9.5888 9.5888 9.5889 9.5889 k =-0.4576 0.3123 0.7479 ( 3390 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6230 -14.6230 -14.6214 -14.6214 -14.2812 -14.2812 -14.2699 -14.2699 -14.1798 -14.1798 -14.1700 -14.1700 0.0105 0.0105 0.0119 0.0119 4.2979 4.2979 4.2995 4.2995 6.5121 6.5121 6.5141 6.5141 8.9698 8.9698 8.9723 8.9723 9.6679 9.6679 9.6684 9.6684 k =-0.4647 0.2957 0.7479 ( 3398 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6229 -14.6229 -14.6216 -14.6216 -14.2803 -14.2803 -14.2709 -14.2709 -14.1786 -14.1786 -14.1704 -14.1704 0.0088 0.0088 0.0100 0.0100 4.2899 4.2899 4.2912 4.2912 6.5404 6.5404 6.5421 6.5421 8.9317 8.9317 8.9339 8.9339 9.7496 9.7496 9.7504 9.7504 k =-0.4718 0.2791 0.7479 ( 3394 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6228 -14.6228 -14.6217 -14.6217 -14.2794 -14.2794 -14.2718 -14.2718 -14.1775 -14.1775 -14.1709 -14.1709 0.0075 0.0075 0.0084 0.0084 4.2834 4.2834 4.2844 4.2844 6.5646 6.5646 6.5659 6.5659 8.8996 8.8996 8.9013 8.9013 9.8335 9.8335 9.8345 9.8345 k =-0.4788 0.2625 0.7479 ( 3398 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6227 -14.6227 -14.6219 -14.6219 -14.2785 -14.2785 -14.2728 -14.2728 -14.1765 -14.1765 -14.1715 -14.1715 0.0064 0.0064 0.0071 0.0071 4.2783 4.2783 4.2791 4.2791 6.5840 6.5840 6.5851 6.5851 8.8739 8.8739 8.8752 8.8752 9.9191 9.9191 9.9204 9.9204 k =-0.4859 0.2459 0.7479 ( 3402 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6226 -14.6226 -14.6221 -14.6221 -14.2775 -14.2775 -14.2737 -14.2737 -14.1755 -14.1755 -14.1722 -14.1722 0.0057 0.0057 0.0061 0.0061 4.2747 4.2747 4.2752 4.2752 6.5983 6.5983 6.5990 6.5990 8.8553 8.8553 8.8561 8.8561 10.0057 10.0057 10.0071 10.0071 k =-0.4929 0.2293 0.7479 ( 3406 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6225 -14.6225 -14.6222 -14.6222 -14.2766 -14.2766 -14.2747 -14.2747 -14.1746 -14.1746 -14.1729 -14.1729 0.0053 0.0053 0.0055 0.0055 4.2726 4.2726 4.2729 4.2729 6.6071 6.6071 6.6075 6.6075 8.8440 8.8440 8.8444 8.8444 10.0903 10.0903 10.0917 10.0917 k =-0.5000 0.2127 0.7479 ( 3404 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6224 -14.6224 -14.6224 -14.6224 -14.2756 -14.2756 -14.2756 -14.2756 -14.1737 -14.1737 -14.1737 -14.1737 0.0052 0.0052 0.0052 0.0052 4.2720 4.2720 4.2720 4.2720 6.6102 6.6102 6.6102 6.6102 8.8403 8.8403 8.8403 8.8403 10.1458 10.1458 10.1458 10.1458 k =-0.5000 0.2127 0.7479 ( 3404 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6224 -14.6224 -14.6224 -14.6224 -14.2756 -14.2756 -14.2756 -14.2756 -14.1737 -14.1737 -14.1737 -14.1737 0.0052 0.0052 0.0052 0.0052 4.2720 4.2720 4.2720 4.2720 6.6102 6.6102 6.6102 6.6102 8.8403 8.8403 8.8403 8.8403 10.1458 10.1458 10.1458 10.1458 k =-0.5000 0.2127 0.7297 ( 3396 PWs) bands (ev): -33.2929 -33.2929 -33.2928 -33.2928 -14.6226 -14.6226 -14.6220 -14.6220 -14.2767 -14.2767 -14.2744 -14.2744 -14.1745 -14.1745 -14.1729 -14.1729 -0.0956 -0.0956 0.1076 0.1076 4.1800 4.1800 4.3662 4.3662 6.5576 6.5576 6.6643 6.6643 8.7861 8.7861 8.8936 8.8936 10.0957 10.0957 10.1977 10.1977 k =-0.5000 0.2127 0.7114 ( 3388 PWs) bands (ev): -33.2929 -33.2929 -33.2928 -33.2928 -14.6227 -14.6227 -14.6215 -14.6215 -14.2777 -14.2777 -14.2731 -14.2731 -14.1752 -14.1752 -14.1722 -14.1722 -0.1948 -0.1948 0.2115 0.2115 4.0904 4.0904 4.4624 4.4624 6.5064 6.5064 6.7198 6.7198 8.7310 8.7310 8.9457 8.9457 10.0478 10.0478 10.1662 10.1662 k =-0.5000 0.2127 0.6932 ( 3392 PWs) bands (ev): -33.2931 -33.2931 -33.2927 -33.2927 -14.6227 -14.6227 -14.6210 -14.6210 -14.2786 -14.2786 -14.2717 -14.2717 -14.1761 -14.1761 -14.1714 -14.1714 -0.2921 -0.2921 0.3166 0.3166 4.0035 4.0035 4.5603 4.5603 6.4566 6.4566 6.7768 6.7768 8.6752 8.6752 8.9966 8.9966 10.0020 10.0020 10.1297 10.1297 k =-0.5000 0.2127 0.6749 ( 3388 PWs) bands (ev): -33.2932 -33.2932 -33.2927 -33.2927 -14.6226 -14.6226 -14.6203 -14.6203 -14.2793 -14.2793 -14.2702 -14.2702 -14.1769 -14.1769 -14.1707 -14.1707 -0.3875 -0.3875 0.4227 0.4227 3.9197 3.9197 4.6597 4.6597 6.4082 6.4082 6.8353 6.8353 8.6190 8.6190 9.0461 9.0461 9.9585 9.9585 10.0955 10.0955 k =-0.5000 0.2127 0.6567 ( 3388 PWs) bands (ev): -33.2933 -33.2933 -33.2928 -33.2928 -14.6224 -14.6224 -14.6195 -14.6195 -14.2800 -14.2800 -14.2686 -14.2686 -14.1777 -14.1777 -14.1700 -14.1700 -0.4808 -0.4808 0.5296 0.5296 3.8391 3.8391 4.7604 4.7604 6.3611 6.3611 6.8953 6.8953 8.5626 8.5626 9.0943 9.0943 9.9173 9.9173 10.0632 10.0632 k =-0.5000 0.2127 0.6385 ( 3380 PWs) bands (ev): -33.2934 -33.2934 -33.2928 -33.2928 -14.6220 -14.6220 -14.6187 -14.6187 -14.2805 -14.2805 -14.2669 -14.2669 -14.1785 -14.1785 -14.1692 -14.1692 -0.5721 -0.5721 0.6369 0.6369 3.7623 3.7623 4.8621 4.8621 6.3154 6.3154 6.9569 6.9569 8.5062 8.5062 9.1412 9.1412 9.8785 9.8785 10.0326 10.0326 k =-0.5000 0.2127 0.6202 ( 3376 PWs) bands (ev): -33.2936 -33.2936 -33.2929 -33.2929 -14.6216 -14.6216 -14.6177 -14.6177 -14.2809 -14.2809 -14.2652 -14.2652 -14.1793 -14.1793 -14.1686 -14.1686 -0.6613 -0.6613 0.7442 0.7442 3.6897 3.6897 4.9646 4.9646 6.2710 6.2710 7.0200 7.0200 8.4500 8.4500 9.1868 9.1868 9.8420 9.8420 10.0032 10.0032 k =-0.5000 0.2127 0.6020 ( 3376 PWs) bands (ev): -33.2937 -33.2937 -33.2929 -33.2929 -14.6211 -14.6211 -14.6167 -14.6167 -14.2812 -14.2812 -14.2634 -14.2634 -14.1801 -14.1801 -14.1679 -14.1679 -0.7483 -0.7483 0.8511 0.8511 3.6218 3.6218 5.0677 5.0677 6.2279 6.2279 7.0847 7.0847 8.3943 8.3943 9.2311 9.2311 9.8079 9.8079 9.9748 9.9748 k =-0.5000 0.2127 0.5837 ( 3372 PWs) bands (ev): -33.2939 -33.2939 -33.2930 -33.2930 -14.6205 -14.6205 -14.6156 -14.6156 -14.2813 -14.2813 -14.2615 -14.2615 -14.1809 -14.1809 -14.1673 -14.1673 -0.8330 -0.8330 0.9570 0.9570 3.5591 3.5591 5.1709 5.1709 6.1860 6.1860 7.1511 7.1511 8.3393 8.3393 9.2743 9.2743 9.7762 9.7762 9.9470 9.9470 k =-0.5000 0.2127 0.5655 ( 3368 PWs) bands (ev): -33.2941 -33.2941 -33.2931 -33.2931 -14.6198 -14.6198 -14.6145 -14.6145 -14.2814 -14.2814 -14.2595 -14.2595 -14.1817 -14.1817 -14.1666 -14.1666 -0.9154 -0.9154 1.0611 1.0611 3.5026 3.5026 5.2742 5.2742 6.1455 6.1455 7.2190 7.2190 8.2852 8.2852 9.3164 9.3164 9.7469 9.7469 9.9198 9.9198 k =-0.5000 0.2127 0.5472 ( 3370 PWs) bands (ev): -33.2943 -33.2943 -33.2932 -33.2932 -14.6190 -14.6190 -14.6133 -14.6133 -14.2813 -14.2813 -14.2576 -14.2576 -14.1825 -14.1825 -14.1660 -14.1660 -0.9955 -0.9955 1.1626 1.1626 3.4530 3.4530 5.3770 5.3770 6.1062 6.1062 7.2886 7.2886 8.2323 8.2323 9.3573 9.3573 9.7200 9.7200 9.8928 9.8928 k =-0.5000 0.2127 0.5290 ( 3370 PWs) bands (ev): -33.2945 -33.2945 -33.2933 -33.2933 -14.6181 -14.6181 -14.6121 -14.6121 -14.2811 -14.2811 -14.2555 -14.2555 -14.1833 -14.1833 -14.1655 -14.1655 -1.0733 -1.0733 1.2604 1.2604 3.4115 3.4115 5.4791 5.4791 6.0682 6.0682 7.3597 7.3597 8.1807 8.1807 9.3973 9.3973 9.6955 9.6955 9.8661 9.8661 k =-0.5000 0.2127 0.5108 ( 3374 PWs) bands (ev): -33.2947 -33.2947 -33.2934 -33.2934 -14.6172 -14.6172 -14.6108 -14.6108 -14.2808 -14.2808 -14.2535 -14.2535 -14.1840 -14.1840 -14.1649 -14.1649 -1.1486 -1.1486 1.3532 1.3532 3.3793 3.3793 5.5801 5.5801 6.0314 6.0314 7.4326 7.4326 8.1307 8.1307 9.4362 9.4362 9.6734 9.6734 9.8398 9.8398 k =-0.5000 0.2127 0.4925 ( 3370 PWs) bands (ev): -33.2949 -33.2949 -33.2936 -33.2936 -14.6163 -14.6163 -14.6096 -14.6096 -14.2803 -14.2803 -14.2514 -14.2514 -14.1847 -14.1847 -14.1644 -14.1644 -1.2215 -1.2215 1.4397 1.4397 3.3579 3.3579 5.6795 5.6795 5.9959 5.9959 7.5071 7.5071 8.0824 8.0824 9.4741 9.4741 9.6536 9.6536 9.8141 9.8141 k =-0.5000 0.2127 0.4743 ( 3380 PWs) bands (ev): -33.2952 -33.2952 -33.2937 -33.2937 -14.6153 -14.6153 -14.6083 -14.6083 -14.2798 -14.2798 -14.2494 -14.2494 -14.1854 -14.1854 -14.1639 -14.1639 -1.2919 -1.2919 1.5184 1.5184 3.3487 3.3487 5.7768 5.7768 5.9616 5.9616 7.5832 7.5832 8.0360 8.0360 9.5107 9.5107 9.6362 9.6362 9.7893 9.7893 k =-0.5000 0.2127 0.4560 ( 3384 PWs) bands (ev): -33.2954 -33.2954 -33.2939 -33.2939 -14.6142 -14.6142 -14.6070 -14.6070 -14.2791 -14.2791 -14.2473 -14.2473 -14.1861 -14.1861 -14.1634 -14.1634 -1.3599 -1.3599 1.5877 1.5877 3.3533 3.3533 5.8710 5.8710 5.9292 5.9292 7.6610 7.6610 7.9917 7.9917 9.5459 9.5459 9.6210 9.6210 9.7659 9.7659 k =-0.5000 0.2127 0.4378 ( 3392 PWs) bands (ev): -33.2956 -33.2956 -33.2941 -33.2941 -14.6132 -14.6132 -14.6058 -14.6058 -14.2783 -14.2783 -14.2453 -14.2453 -14.1866 -14.1866 -14.1630 -14.1630 -1.4253 -1.4253 1.6464 1.6464 3.3729 3.3729 5.8955 5.8955 5.9648 5.9648 7.7405 7.7405 7.9497 7.9497 9.5790 9.5790 9.6082 9.6082 9.7445 9.7445 k =-0.5000 0.2127 0.4196 ( 3390 PWs) bands (ev): -33.2959 -33.2959 -33.2942 -33.2942 -14.6120 -14.6120 -14.6045 -14.6045 -14.2774 -14.2774 -14.2433 -14.2433 -14.1871 -14.1871 -14.1626 -14.1626 -1.4883 -1.4883 1.6937 1.6937 3.4082 3.4082 5.8653 5.8653 6.0525 6.0525 7.8215 7.8215 7.9102 7.9102 9.5960 9.5960 9.6111 9.6111 9.7259 9.7259 k =-0.5000 0.2127 0.4013 ( 3386 PWs) bands (ev): -33.2961 -33.2961 -33.2944 -33.2944 -14.6109 -14.6109 -14.6033 -14.6033 -14.2764 -14.2764 -14.2414 -14.2414 -14.1875 -14.1875 -14.1621 -14.1621 -1.5486 -1.5486 1.7294 1.7294 3.4596 3.4596 5.8360 5.8360 6.1365 6.1365 7.8729 7.8729 7.9045 7.9045 9.5878 9.5878 9.6379 9.6379 9.7107 9.7107 k =-0.5000 0.2127 0.3831 ( 3378 PWs) bands (ev): -33.2964 -33.2964 -33.2946 -33.2946 -14.6097 -14.6097 -14.6021 -14.6021 -14.2753 -14.2753 -14.2396 -14.2396 -14.1877 -14.1877 -14.1617 -14.1617 -1.6065 -1.6065 1.7539 1.7539 3.5263 3.5263 5.8079 5.8079 6.2159 6.2159 7.8386 7.8386 7.9888 7.9888 9.5809 9.5809 9.6601 9.6601 9.6998 9.6998 k =-0.5000 0.2127 0.3648 ( 3370 PWs) bands (ev): -33.2966 -33.2966 -33.2947 -33.2947 -14.6086 -14.6086 -14.6009 -14.6009 -14.2741 -14.2741 -14.2379 -14.2379 -14.1878 -14.1878 -14.1614 -14.1614 -1.6617 -1.6617 1.7683 1.7683 3.6075 3.6075 5.7809 5.7809 6.2899 6.2899 7.8070 7.8070 8.0747 8.0747 9.5758 9.5758 9.6746 9.6746 9.6941 9.6941 k =-0.5000 0.2127 0.3466 ( 3368 PWs) bands (ev): -33.2968 -33.2968 -33.2949 -33.2949 -14.6074 -14.6074 -14.5998 -14.5998 -14.2728 -14.2728 -14.2363 -14.2363 -14.1879 -14.1879 -14.1611 -14.1611 -1.7143 -1.7143 1.7739 1.7739 3.7015 3.7015 5.7552 5.7552 6.3582 6.3582 7.7781 7.7781 8.1623 8.1623 9.5724 9.5724 9.6782 9.6782 9.6940 9.6940 k =-0.5000 0.2127 0.3283 ( 3366 PWs) bands (ev): -33.2971 -33.2971 -33.2951 -33.2951 -14.6063 -14.6063 -14.5988 -14.5988 -14.2714 -14.2714 -14.2350 -14.2350 -14.1877 -14.1877 -14.1608 -14.1608 -1.7643 -1.7643 1.7724 1.7724 3.8068 3.8068 5.7307 5.7307 6.4202 6.4202 7.7519 7.7519 8.2514 8.2514 9.5707 9.5707 9.6665 9.6665 9.6995 9.6995 k =-0.5000 0.2127 0.3101 ( 3364 PWs) bands (ev): -33.2973 -33.2973 -33.2953 -33.2953 -14.6051 -14.6051 -14.5978 -14.5978 -14.2699 -14.2699 -14.2338 -14.2338 -14.1874 -14.1874 -14.1606 -14.1606 -1.8117 -1.8117 1.7653 1.7653 3.9217 3.9217 5.7075 5.7075 6.4758 6.4758 7.7285 7.7285 8.3421 8.3421 9.5704 9.5704 9.6335 9.6335 9.7122 9.7122 k =-0.5000 0.2127 0.2919 ( 3364 PWs) bands (ev): -33.2976 -33.2976 -33.2954 -33.2954 -14.6040 -14.6040 -14.5969 -14.5969 -14.2684 -14.2684 -14.2328 -14.2328 -14.1870 -14.1870 -14.1604 -14.1604 -1.8565 -1.8565 1.7539 1.7539 4.0447 4.0447 5.6855 5.6855 6.5248 6.5248 7.7075 7.7075 8.4342 8.4342 9.5709 9.5709 9.5776 9.5776 9.7323 9.7323 k =-0.5000 0.2127 0.2736 ( 3360 PWs) bands (ev): -33.2978 -33.2978 -33.2956 -33.2956 -14.6029 -14.6029 -14.5960 -14.5960 -14.2669 -14.2669 -14.2320 -14.2320 -14.1863 -14.1863 -14.1602 -14.1602 -1.8986 -1.8986 1.7394 1.7394 4.1743 4.1743 5.6649 5.6649 6.5672 6.5672 7.6889 7.6889 8.5277 8.5277 9.4986 9.4986 9.5738 9.5738 9.7600 9.7600 k =-0.5000 0.2127 0.2554 ( 3364 PWs) bands (ev): -33.2980 -33.2980 -33.2958 -33.2958 -14.6019 -14.6019 -14.5952 -14.5952 -14.2653 -14.2653 -14.2315 -14.2315 -14.1856 -14.1856 -14.1602 -14.1602 -1.9380 -1.9380 1.7230 1.7230 4.3094 4.3094 5.6454 5.6454 6.6032 6.6032 7.6724 7.6724 8.6226 8.6226 9.4021 9.4021 9.5771 9.5771 9.7952 9.7952 k =-0.5000 0.2127 0.2371 ( 3366 PWs) bands (ev): -33.2982 -33.2982 -33.2959 -33.2959 -14.6009 -14.6009 -14.5945 -14.5945 -14.2636 -14.2636 -14.2312 -14.2312 -14.1846 -14.1846 -14.1602 -14.1602 -1.9748 -1.9748 1.7053 1.7053 4.4488 4.4488 5.6273 5.6273 6.6332 6.6332 7.6578 7.6578 8.7188 8.7188 9.2915 9.2915 9.5812 9.5812 9.8377 9.8377 k =-0.5000 0.2127 0.2189 ( 3358 PWs) bands (ev): -33.2984 -33.2984 -33.2960 -33.2960 -14.5999 -14.5999 -14.5939 -14.5939 -14.2619 -14.2619 -14.2311 -14.2311 -14.1835 -14.1835 -14.1602 -14.1602 -2.0089 -2.0089 1.6872 1.6872 4.5915 4.5915 5.6105 5.6105 6.6578 6.6578 7.6447 7.6447 8.8161 8.8161 9.1702 9.1702 9.5861 9.5861 9.8870 9.8870 k =-0.5000 0.2127 0.2007 ( 3366 PWs) bands (ev): -33.2986 -33.2986 -33.2962 -33.2962 -14.5990 -14.5990 -14.5934 -14.5934 -14.2602 -14.2602 -14.2312 -14.2312 -14.1823 -14.1823 -14.1603 -14.1603 -2.0402 -2.0402 1.6690 1.6690 4.7365 4.7365 5.5950 5.5950 6.6774 6.6774 7.6331 7.6331 8.9142 8.9142 9.0409 9.0409 9.5915 9.5915 9.9425 9.9425 k =-0.5000 0.2127 0.1824 ( 3362 PWs) bands (ev): -33.2988 -33.2988 -33.2963 -33.2963 -14.5981 -14.5981 -14.5929 -14.5929 -14.2585 -14.2585 -14.2315 -14.2315 -14.1810 -14.1810 -14.1605 -14.1605 -2.0689 -2.0689 1.6514 1.6514 4.8827 4.8827 5.5808 5.5808 6.6929 6.6929 7.6226 7.6226 8.9047 8.9047 9.0144 9.0144 9.5972 9.5972 10.0034 10.0034 k =-0.5000 0.2127 0.1642 ( 3360 PWs) bands (ev): -33.2989 -33.2989 -33.2965 -33.2965 -14.5972 -14.5972 -14.5924 -14.5924 -14.2567 -14.2567 -14.2320 -14.2320 -14.1796 -14.1796 -14.1607 -14.1607 -2.0949 -2.0949 1.6346 1.6346 5.0289 5.0289 5.5679 5.5679 6.7047 6.7047 7.6131 7.6131 8.7658 8.7658 9.1141 9.1141 9.6031 9.6031 10.0686 10.0686 k =-0.5000 0.2127 0.1459 ( 3362 PWs) bands (ev): -33.2990 -33.2990 -33.2966 -33.2966 -14.5965 -14.5965 -14.5921 -14.5921 -14.2550 -14.2550 -14.2327 -14.2327 -14.1782 -14.1782 -14.1610 -14.1610 -2.1182 -2.1182 1.6190 1.6190 5.1739 5.1739 5.5563 5.5563 6.7136 6.7136 7.6046 7.6046 8.6250 8.6250 9.2145 9.2145 9.6090 9.6090 10.1367 10.1367 k =-0.5000 0.2127 0.1277 ( 3366 PWs) bands (ev): -33.2992 -33.2992 -33.2967 -33.2967 -14.5957 -14.5957 -14.5919 -14.5919 -14.2533 -14.2533 -14.2334 -14.2334 -14.1768 -14.1768 -14.1614 -14.1614 -2.1387 -2.1387 1.6047 1.6047 5.3159 5.3159 5.5461 5.5461 6.7201 6.7201 7.5969 7.5969 8.4849 8.4849 9.3149 9.3149 9.6147 9.6147 10.2059 10.2059 k =-0.5000 0.2127 0.1094 ( 3356 PWs) bands (ev): -33.2993 -33.2993 -33.2968 -33.2968 -14.5950 -14.5950 -14.5917 -14.5917 -14.2516 -14.2516 -14.2343 -14.2343 -14.1754 -14.1754 -14.1618 -14.1618 -2.1565 -2.1565 1.5920 1.5920 5.4528 5.4528 5.5373 5.5373 6.7247 6.7247 7.5902 7.5902 8.3484 8.3484 9.4147 9.4147 9.6200 9.6200 10.2345 10.2345 k =-0.5000 0.2127 0.0912 ( 3360 PWs) bands (ev): -33.2994 -33.2994 -33.2968 -33.2968 -14.5944 -14.5944 -14.5916 -14.5916 -14.2499 -14.2499 -14.2354 -14.2354 -14.1740 -14.1740 -14.1624 -14.1624 -2.1716 -2.1716 1.5811 1.5811 5.5297 5.5297 5.5821 5.5821 6.7279 6.7279 7.5844 7.5844 8.2186 8.2186 9.5129 9.5129 9.6249 9.6249 10.2294 10.2294 k =-0.5000 0.2127 0.0730 ( 3362 PWs) bands (ev): -33.2995 -33.2995 -33.2969 -33.2969 -14.5939 -14.5939 -14.5915 -14.5915 -14.2483 -14.2483 -14.2365 -14.2365 -14.1727 -14.1727 -14.1630 -14.1630 -2.1839 -2.1839 1.5720 1.5720 5.5236 5.5236 5.6997 5.6997 6.7300 6.7300 7.5795 7.5795 8.0998 8.0998 9.6078 9.6078 9.6291 9.6291 10.2230 10.2230 k =-0.5000 0.2127 0.0547 ( 3362 PWs) bands (ev): -33.2995 -33.2995 -33.2969 -33.2969 -14.5934 -14.5934 -14.5916 -14.5916 -14.2467 -14.2467 -14.2376 -14.2376 -14.1715 -14.1715 -14.1636 -14.1636 -2.1935 -2.1935 1.5648 1.5648 5.5188 5.5188 5.8011 5.8011 6.7313 6.7313 7.5756 7.5756 7.9972 7.9972 9.6324 9.6324 9.6965 9.6965 10.2166 10.2166 k =-0.5000 0.2127 0.0365 ( 3360 PWs) bands (ev): -33.2996 -33.2996 -33.2970 -33.2970 -14.5930 -14.5930 -14.5916 -14.5916 -14.2452 -14.2452 -14.2388 -14.2388 -14.1705 -14.1705 -14.1642 -14.1642 -2.2004 -2.2004 1.5596 1.5596 5.5154 5.5154 5.8803 5.8803 6.7322 6.7322 7.5729 7.5729 7.9168 7.9168 9.6349 9.6349 9.7734 9.7734 10.2113 10.2113 k =-0.5000 0.2127 0.0182 ( 3372 PWs) bands (ev): -33.2996 -33.2996 -33.2970 -33.2970 -14.5927 -14.5927 -14.5918 -14.5918 -14.2439 -14.2439 -14.2400 -14.2400 -14.1698 -14.1698 -14.1648 -14.1648 -2.2045 -2.2045 1.5565 1.5565 5.5133 5.5133 5.9313 5.9313 6.7326 6.7326 7.5711 7.5711 7.8651 7.8651 9.6364 9.6364 9.8289 9.8289 10.2079 10.2079 k =-0.5000 0.2127-0.0000 ( 3376 PWs) bands (ev): -33.2996 -33.2996 -33.2970 -33.2970 -14.5926 -14.5926 -14.5919 -14.5919 -14.2432 -14.2432 -14.2407 -14.2407 -14.1695 -14.1695 -14.1650 -14.1650 -2.2059 -2.2059 1.5554 1.5554 5.5126 5.5126 5.9490 5.9490 6.7327 6.7327 7.5706 7.5706 7.8472 7.8472 9.6369 9.6369 9.8498 9.8498 10.2067 10.2067 k = 0.0000 0.0000 0.7479 ( 3376 PWs) bands (ev): -33.2929 -33.2929 -33.2929 -33.2929 -14.6069 -14.6069 -14.6069 -14.6069 -14.2433 -14.2433 -14.2433 -14.2433 -14.2200 -14.2200 -14.2200 -14.2200 -0.1689 -0.1689 -0.1689 -0.1689 5.1916 5.1916 5.1916 5.1916 6.3899 6.3899 6.3899 6.3899 7.5312 7.5312 7.5312 7.5312 10.5018 10.5018 10.5018 10.5018 k =-0.0167 0.0071 0.7479 ( 3378 PWs) bands (ev): -33.2929 -33.2929 -33.2929 -33.2929 -14.6070 -14.6070 -14.6070 -14.6070 -14.2435 -14.2435 -14.2435 -14.2435 -14.2197 -14.2197 -14.2197 -14.2197 -0.1684 -0.1684 -0.1684 -0.1684 5.1882 5.1882 5.1882 5.1882 6.3904 6.3904 6.3904 6.3904 7.5352 7.5352 7.5352 7.5352 10.5024 10.5024 10.5024 10.5024 k =-0.0333 0.0142 0.7479 ( 3374 PWs) bands (ev): -33.2929 -33.2929 -33.2929 -33.2929 -14.6071 -14.6071 -14.6071 -14.6071 -14.2443 -14.2443 -14.2443 -14.2443 -14.2188 -14.2188 -14.2188 -14.2188 -0.1671 -0.1671 -0.1671 -0.1671 5.1780 5.1780 5.1780 5.1780 6.3920 6.3920 6.3920 6.3920 7.5472 7.5472 7.5472 7.5472 10.5040 10.5040 10.5040 10.5040 k =-0.0500 0.0213 0.7479 ( 3374 PWs) bands (ev): -33.2929 -33.2929 -33.2929 -33.2929 -14.6073 -14.6073 -14.6073 -14.6073 -14.2455 -14.2455 -14.2455 -14.2455 -14.2174 -14.2174 -14.2174 -14.2174 -0.1649 -0.1649 -0.1649 -0.1649 5.1613 5.1613 5.1613 5.1613 6.3947 6.3947 6.3947 6.3947 7.5669 7.5669 7.5669 7.5669 10.5065 10.5065 10.5065 10.5065 k =-0.0667 0.0284 0.7479 ( 3374 PWs) bands (ev): -33.2929 -33.2929 -33.2929 -33.2929 -14.6076 -14.6076 -14.6076 -14.6076 -14.2469 -14.2469 -14.2469 -14.2469 -14.2157 -14.2157 -14.2157 -14.2157 -0.1619 -0.1619 -0.1619 -0.1619 5.1386 5.1386 5.1386 5.1386 6.3984 6.3984 6.3984 6.3984 7.5938 7.5938 7.5938 7.5938 10.5100 10.5100 10.5100 10.5100 k =-0.0833 0.0354 0.7479 ( 3370 PWs) bands (ev): -33.2929 -33.2929 -33.2929 -33.2929 -14.6080 -14.6080 -14.6080 -14.6080 -14.2485 -14.2485 -14.2485 -14.2485 -14.2137 -14.2137 -14.2137 -14.2137 -0.1580 -0.1580 -0.1580 -0.1580 5.1104 5.1104 5.1104 5.1104 6.4031 6.4031 6.4031 6.4031 7.6274 7.6274 7.6274 7.6274 10.5141 10.5141 10.5141 10.5141 k =-0.1000 0.0425 0.7479 ( 3362 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6084 -14.6084 -14.6084 -14.6084 -14.2502 -14.2502 -14.2502 -14.2502 -14.2116 -14.2116 -14.2116 -14.2116 -0.1534 -0.1534 -0.1534 -0.1534 5.0774 5.0774 5.0774 5.0774 6.4088 6.4088 6.4088 6.4088 7.6671 7.6671 7.6671 7.6671 10.5188 10.5188 10.5188 10.5188 k =-0.1167 0.0496 0.7479 ( 3360 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6089 -14.6089 -14.6089 -14.6089 -14.2520 -14.2520 -14.2520 -14.2520 -14.2093 -14.2093 -14.2093 -14.2093 -0.1480 -0.1480 -0.1480 -0.1480 5.0403 5.0403 5.0403 5.0403 6.4155 6.4155 6.4155 6.4155 7.7121 7.7121 7.7121 7.7121 10.5235 10.5235 10.5235 10.5235 k =-0.1333 0.0567 0.7479 ( 3356 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6094 -14.6094 -14.6094 -14.6094 -14.2538 -14.2538 -14.2538 -14.2538 -14.2070 -14.2070 -14.2070 -14.2070 -0.1420 -0.1420 -0.1420 -0.1420 4.9998 4.9998 4.9998 4.9998 6.4230 6.4230 6.4230 6.4230 7.7617 7.7617 7.7617 7.7617 10.5282 10.5282 10.5282 10.5282 k =-0.1500 0.0638 0.7479 ( 3354 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6101 -14.6101 -14.6101 -14.6101 -14.2556 -14.2556 -14.2556 -14.2556 -14.2046 -14.2046 -14.2046 -14.2046 -0.1353 -0.1353 -0.1353 -0.1353 4.9566 4.9566 4.9566 4.9566 6.4313 6.4313 6.4313 6.4313 7.8152 7.8152 7.8152 7.8152 10.5323 10.5323 10.5323 10.5323 k =-0.1667 0.0709 0.7479 ( 3354 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6108 -14.6108 -14.6108 -14.6108 -14.2573 -14.2573 -14.2573 -14.2573 -14.2022 -14.2022 -14.2022 -14.2022 -0.1280 -0.1280 -0.1280 -0.1280 4.9113 4.9113 4.9113 4.9113 6.4404 6.4404 6.4404 6.4404 7.8721 7.8721 7.8721 7.8721 10.5355 10.5355 10.5355 10.5355 k =-0.1833 0.0780 0.7479 ( 3358 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6115 -14.6115 -14.6115 -14.6115 -14.2590 -14.2590 -14.2590 -14.2590 -14.1999 -14.1999 -14.1999 -14.1999 -0.1202 -0.1202 -0.1202 -0.1202 4.8646 4.8646 4.8646 4.8646 6.4501 6.4501 6.4501 6.4501 7.9315 7.9315 7.9315 7.9315 10.5373 10.5373 10.5373 10.5373 k =-0.2000 0.0851 0.7479 ( 3370 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6123 -14.6123 -14.6123 -14.6123 -14.2607 -14.2607 -14.2607 -14.2607 -14.1976 -14.1976 -14.1976 -14.1976 -0.1119 -0.1119 -0.1119 -0.1119 4.8171 4.8171 4.8171 4.8171 6.4603 6.4603 6.4603 6.4603 7.9930 7.9930 7.9930 7.9930 10.5372 10.5372 10.5372 10.5372 k =-0.2167 0.0922 0.7479 ( 3384 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6131 -14.6131 -14.6131 -14.6131 -14.2623 -14.2623 -14.2623 -14.2623 -14.1954 -14.1954 -14.1954 -14.1954 -0.1033 -0.1033 -0.1033 -0.1033 4.7693 4.7693 4.7693 4.7693 6.4711 6.4711 6.4711 6.4711 8.0559 8.0559 8.0559 8.0559 10.5349 10.5349 10.5349 10.5349 k =-0.2333 0.0993 0.7479 ( 3376 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6139 -14.6139 -14.6139 -14.6139 -14.2638 -14.2638 -14.2638 -14.2638 -14.1931 -14.1931 -14.1931 -14.1931 -0.0945 -0.0945 -0.0945 -0.0945 4.7218 4.7218 4.7218 4.7218 6.4822 6.4822 6.4822 6.4822 8.1197 8.1197 8.1197 8.1197 10.5298 10.5298 10.5298 10.5298 k =-0.2500 0.1063 0.7479 ( 3374 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6147 -14.6147 -14.6147 -14.6147 -14.2652 -14.2652 -14.2652 -14.2652 -14.1910 -14.1910 -14.1910 -14.1910 -0.0854 -0.0854 -0.0854 -0.0854 4.6749 4.6749 4.6749 4.6749 6.4936 6.4936 6.4936 6.4936 8.1840 8.1840 8.1840 8.1840 10.5218 10.5218 10.5218 10.5218 k =-0.2667 0.1134 0.7479 ( 3374 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6155 -14.6155 -14.6155 -14.6155 -14.2665 -14.2665 -14.2665 -14.2665 -14.1889 -14.1889 -14.1889 -14.1889 -0.0763 -0.0763 -0.0763 -0.0763 4.6292 4.6292 4.6292 4.6292 6.5051 6.5051 6.5051 6.5051 8.2483 8.2483 8.2483 8.2483 10.5104 10.5104 10.5104 10.5104 k =-0.2833 0.1205 0.7479 ( 3378 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6163 -14.6163 -14.6163 -14.6163 -14.2677 -14.2677 -14.2677 -14.2677 -14.1869 -14.1869 -14.1869 -14.1869 -0.0672 -0.0672 -0.0672 -0.0672 4.5850 4.5850 4.5850 4.5850 6.5166 6.5166 6.5166 6.5166 8.3120 8.3120 8.3120 8.3120 10.4955 10.4955 10.4955 10.4955 k =-0.3000 0.1276 0.7479 ( 3368 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6170 -14.6170 -14.6170 -14.6170 -14.2689 -14.2689 -14.2689 -14.2689 -14.1851 -14.1851 -14.1851 -14.1851 -0.0583 -0.0583 -0.0583 -0.0583 4.5426 4.5426 4.5426 4.5426 6.5281 6.5281 6.5281 6.5281 8.3747 8.3747 8.3747 8.3747 10.4687 10.4687 10.4687 10.4687 k =-0.3167 0.1347 0.7479 ( 3368 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6178 -14.6178 -14.6178 -14.6178 -14.2699 -14.2699 -14.2699 -14.2699 -14.1833 -14.1833 -14.1833 -14.1833 -0.0495 -0.0495 -0.0495 -0.0495 4.5025 4.5025 4.5025 4.5025 6.5392 6.5392 6.5392 6.5392 8.4360 8.4360 8.4360 8.4360 10.4210 10.4210 10.4210 10.4210 k =-0.3333 0.1418 0.7479 ( 3368 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6185 -14.6185 -14.6185 -14.6185 -14.2709 -14.2709 -14.2709 -14.2709 -14.1817 -14.1817 -14.1817 -14.1817 -0.0411 -0.0411 -0.0411 -0.0411 4.4648 4.4648 4.4648 4.4648 6.5500 6.5500 6.5500 6.5500 8.4952 8.4952 8.4952 8.4952 10.3755 10.3755 10.3755 10.3755 k =-0.3500 0.1489 0.7479 ( 3372 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6191 -14.6191 -14.6191 -14.6191 -14.2718 -14.2718 -14.2718 -14.2718 -14.1802 -14.1802 -14.1802 -14.1802 -0.0331 -0.0331 -0.0331 -0.0331 4.4299 4.4299 4.4299 4.4299 6.5603 6.5603 6.5603 6.5603 8.5519 8.5519 8.5519 8.5519 10.3335 10.3335 10.3335 10.3335 k =-0.3667 0.1560 0.7479 ( 3386 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6198 -14.6198 -14.6198 -14.6198 -14.2726 -14.2726 -14.2726 -14.2726 -14.1789 -14.1789 -14.1789 -14.1789 -0.0257 -0.0257 -0.0257 -0.0257 4.3979 4.3979 4.3979 4.3979 6.5699 6.5699 6.5699 6.5699 8.6055 8.6055 8.6055 8.6055 10.2953 10.2953 10.2953 10.2953 k =-0.3833 0.1631 0.7479 ( 3398 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6204 -14.6204 -14.6204 -14.6204 -14.2733 -14.2733 -14.2733 -14.2733 -14.1778 -14.1778 -14.1778 -14.1778 -0.0189 -0.0189 -0.0189 -0.0189 4.3692 4.3692 4.3692 4.3692 6.5788 6.5788 6.5788 6.5788 8.6554 8.6554 8.6554 8.6554 10.2610 10.2610 10.2610 10.2610 k =-0.4000 0.1702 0.7479 ( 3398 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6209 -14.6209 -14.6209 -14.6209 -14.2739 -14.2739 -14.2739 -14.2739 -14.1767 -14.1767 -14.1767 -14.1767 -0.0127 -0.0127 -0.0127 -0.0127 4.3440 4.3440 4.3440 4.3440 6.5867 6.5867 6.5867 6.5867 8.7008 8.7008 8.7008 8.7008 10.2310 10.2310 10.2310 10.2310 k =-0.4167 0.1772 0.7479 ( 3402 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6214 -14.6214 -14.6214 -14.6214 -14.2745 -14.2745 -14.2745 -14.2745 -14.1758 -14.1758 -14.1758 -14.1758 -0.0074 -0.0074 -0.0074 -0.0074 4.3223 4.3223 4.3223 4.3223 6.5937 6.5937 6.5937 6.5937 8.7412 8.7412 8.7412 8.7412 10.2052 10.2052 10.2052 10.2052 k =-0.4333 0.1843 0.7479 ( 3406 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6217 -14.6217 -14.6217 -14.6217 -14.2749 -14.2749 -14.2749 -14.2749 -14.1751 -14.1751 -14.1751 -14.1751 -0.0030 -0.0030 -0.0030 -0.0030 4.3044 4.3044 4.3044 4.3044 6.5995 6.5995 6.5995 6.5995 8.7755 8.7755 8.7755 8.7755 10.1839 10.1839 10.1839 10.1839 k =-0.4500 0.1914 0.7479 ( 3406 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6220 -14.6220 -14.6220 -14.6220 -14.2752 -14.2752 -14.2752 -14.2752 -14.1745 -14.1745 -14.1745 -14.1745 0.0006 0.0006 0.0006 0.0006 4.2903 4.2903 4.2903 4.2903 6.6041 6.6041 6.6041 6.6041 8.8033 8.8033 8.8033 8.8033 10.1673 10.1673 10.1673 10.1673 k =-0.4667 0.1985 0.7479 ( 3400 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6222 -14.6222 -14.6222 -14.6222 -14.2754 -14.2754 -14.2754 -14.2754 -14.1740 -14.1740 -14.1740 -14.1740 0.0031 0.0031 0.0031 0.0031 4.2801 4.2801 4.2801 4.2801 6.6075 6.6075 6.6075 6.6075 8.8237 8.8237 8.8237 8.8237 10.1554 10.1554 10.1554 10.1554 k =-0.4833 0.2056 0.7479 ( 3400 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6223 -14.6223 -14.6223 -14.6223 -14.2756 -14.2756 -14.2756 -14.2756 -14.1738 -14.1738 -14.1738 -14.1738 0.0047 0.0047 0.0047 0.0047 4.2740 4.2740 4.2740 4.2740 6.6095 6.6095 6.6095 6.6095 8.8362 8.8362 8.8362 8.8362 10.1482 10.1482 10.1482 10.1482 k =-0.5000 0.2127 0.7479 ( 3404 PWs) bands (ev): -33.2928 -33.2928 -33.2928 -33.2928 -14.6224 -14.6224 -14.6224 -14.6224 -14.2756 -14.2756 -14.2756 -14.2756 -14.1737 -14.1737 -14.1737 -14.1737 0.0052 0.0052 0.0052 0.0052 4.2720 4.2720 4.2720 4.2720 6.6102 6.6102 6.6102 6.6102 8.8403 8.8403 8.8403 8.8403 10.1458 10.1458 10.1458 10.1458 Writing output data file CaSi.save init_run : 3.74s CPU 13.30s WALL ( 1 calls) electrons : 698.98s CPU 706.70s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.59s CPU 1.38s WALL ( 1 calls) Called by electrons: c_bands : 698.95s CPU 706.43s WALL ( 1 calls) v_of_rho : 0.28s CPU 0.85s WALL ( 1 calls) v_h : 0.07s CPU 0.07s WALL ( 1 calls) v_xc : 0.20s CPU 0.50s WALL ( 1 calls) newd : 0.43s CPU 0.54s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.31s WALL ( 408 calls) cegterg : 649.83s CPU 654.75s WALL ( 1625 calls) Called by sum_band: Called by *egterg: h_psi : 291.55s CPU 304.77s WALL ( 31092 calls) s_psi : 24.31s CPU 26.10s WALL ( 31092 calls) g_psi : 0.63s CPU 0.85s WALL ( 29059 calls) cdiaghg : 235.49s CPU 229.60s WALL ( 29467 calls) cegterg:over : 52.01s CPU 44.54s WALL ( 29059 calls) cegterg:upda : 6.72s CPU 13.62s WALL ( 29059 calls) cegterg:last : 7.18s CPU 8.80s WALL ( 4182 calls) Called by h_psi: h_psi:vloc : 237.08s CPU 251.02s WALL ( 31092 calls) h_psi:vnl : 54.16s CPU 52.84s WALL ( 31092 calls) add_vuspsi : 13.63s CPU 21.09s WALL ( 31092 calls) General routines calbec : 40.45s CPU 31.59s WALL ( 31092 calls) fft : 0.47s CPU 1.33s WALL ( 19 calls) ffts : 0.05s CPU 0.05s WALL ( 4 calls) fftw : 223.79s CPU 236.36s WALL ( 1683772 calls) interpolate : 0.13s CPU 0.14s WALL ( 4 calls) davcio : 0.03s CPU 1.61s WALL ( 816 calls) Parallel routines fft_scatter : 140.47s CPU 149.71s WALL ( 1683795 calls) PWSCF : 12m29.69s CPU 14m31.30s WALL This run was terminated on: 6:15:40 21Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=