Program PWSCF v.5.1.1 starts on 16Jul2015 at 16:49:12 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./FeTe2.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P 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 43 33 9 1669 1127 179 Max 44 34 10 1673 1146 186 Sum 1379 1061 315 53481 36319 5865 bravais-lattice index = 14 lattice parameter (alat) = 7.3204 a.u. unit-cell volume = 862.7707 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.320421 celldm(2)= 1.359260 celldm(3)= 1.618024 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.359260 0.000000 ) a(3) = ( 0.000000 0.000000 1.618024 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.735695 -0.000000 ) b(3) = ( 0.000000 0.000000 0.618038 ) PseudoPot. # 1 for Fe read from file: /home/autes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 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 Te read from file: /home/autes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 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 atomic species valence mass pseudopotential Fe 8.00 55.84500 Fe( 1.00) Te 6.00 127.60000 Te( 1.00) 4 Sym. Ops. (no 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 3) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.6796298 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8090118 ) isym = 4 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.6796298 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8090118 ) double point group C_2v (mm2) there are 5 classes and 1 irreducible representations the character table: E -E C2 s_v s_v' -C2 -s_v -s_v' G_5 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 s_v -s_v 3 -3 s_v'-s_v' 4 -4 -E -1 Cartesian axes number of k points= 400 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 2) = ( 0.0121951 -0.0000000 -0.0000000), wk = 0.0025000 k( 3) = ( 0.0243902 -0.0000000 -0.0000000), wk = 0.0025000 k( 4) = ( 0.0365854 -0.0000000 -0.0000000), wk = 0.0025000 k( 5) = ( 0.0487805 -0.0000000 -0.0000000), wk = 0.0025000 k( 6) = ( 0.0609756 -0.0000000 -0.0000000), wk = 0.0025000 k( 7) = ( 0.0731707 -0.0000000 -0.0000000), wk = 0.0025000 k( 8) = ( 0.0853658 -0.0000000 -0.0000000), wk = 0.0025000 k( 9) = ( 0.0975610 -0.0000000 -0.0000000), wk = 0.0025000 k( 10) = ( 0.1097561 -0.0000000 -0.0000000), wk = 0.0025000 k( 11) = ( 0.1219512 -0.0000000 -0.0000000), wk = 0.0025000 k( 12) = ( 0.1341463 -0.0000000 -0.0000000), wk = 0.0025000 k( 13) = ( 0.1463415 -0.0000000 -0.0000000), wk = 0.0025000 k( 14) = ( 0.1585366 -0.0000000 -0.0000000), wk = 0.0025000 k( 15) = ( 0.1707317 -0.0000000 -0.0000000), wk = 0.0025000 k( 16) = ( 0.1829268 -0.0000000 -0.0000000), wk = 0.0025000 k( 17) = ( 0.1951219 -0.0000000 -0.0000000), wk = 0.0025000 k( 18) = ( 0.2073171 -0.0000000 -0.0000000), wk = 0.0025000 k( 19) = ( 0.2195122 -0.0000000 -0.0000000), wk = 0.0025000 k( 20) = ( 0.2317073 -0.0000000 -0.0000000), wk = 0.0025000 k( 21) = ( 0.2439024 -0.0000000 -0.0000000), wk = 0.0025000 k( 22) = ( 0.2560976 -0.0000000 -0.0000000), wk = 0.0025000 k( 23) = ( 0.2682927 -0.0000000 -0.0000000), wk = 0.0025000 k( 24) = ( 0.2804878 -0.0000000 -0.0000000), wk = 0.0025000 k( 25) = ( 0.2926829 -0.0000000 -0.0000000), wk = 0.0025000 k( 26) = ( 0.3048781 -0.0000000 -0.0000000), wk = 0.0025000 k( 27) = ( 0.3170732 -0.0000000 -0.0000000), wk = 0.0025000 k( 28) = ( 0.3292683 -0.0000000 -0.0000000), wk = 0.0025000 k( 29) = ( 0.3414634 -0.0000000 -0.0000000), wk = 0.0025000 k( 30) = ( 0.3536585 -0.0000000 -0.0000000), wk = 0.0025000 k( 31) = ( 0.3658537 -0.0000000 -0.0000000), wk = 0.0025000 k( 32) = ( 0.3780488 -0.0000000 -0.0000000), wk = 0.0025000 k( 33) = ( 0.3902439 -0.0000000 -0.0000000), wk = 0.0025000 k( 34) = ( 0.4024390 -0.0000000 -0.0000000), wk = 0.0025000 k( 35) = ( 0.4146341 -0.0000000 -0.0000000), wk = 0.0025000 k( 36) = ( 0.4268293 -0.0000000 -0.0000000), wk = 0.0025000 k( 37) = ( 0.4390244 -0.0000000 -0.0000000), wk = 0.0025000 k( 38) = ( 0.4512195 -0.0000000 -0.0000000), wk = 0.0025000 k( 39) = ( 0.4634146 -0.0000000 -0.0000000), wk = 0.0025000 k( 40) = ( 0.4756098 -0.0000000 -0.0000000), wk = 0.0025000 k( 41) = ( 0.4878049 -0.0000000 -0.0000000), wk = 0.0025000 k( 42) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025000 k( 43) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025000 k( 44) = ( 0.5000000 0.0122616 -0.0000000), wk = 0.0025000 k( 45) = ( 0.5000000 0.0245232 -0.0000000), wk = 0.0025000 k( 46) = ( 0.5000000 0.0367847 -0.0000000), wk = 0.0025000 k( 47) = ( 0.5000000 0.0490463 -0.0000000), wk = 0.0025000 k( 48) = ( 0.5000000 0.0613079 -0.0000000), wk = 0.0025000 k( 49) = ( 0.5000000 0.0735695 -0.0000000), wk = 0.0025000 k( 50) = ( 0.5000000 0.0858310 -0.0000000), wk = 0.0025000 k( 51) = ( 0.5000000 0.0980926 -0.0000000), wk = 0.0025000 k( 52) = ( 0.5000000 0.1103542 -0.0000000), wk = 0.0025000 k( 53) = ( 0.5000000 0.1226158 -0.0000000), wk = 0.0025000 k( 54) = ( 0.5000000 0.1348773 -0.0000000), wk = 0.0025000 k( 55) = ( 0.5000000 0.1471389 -0.0000000), wk = 0.0025000 k( 56) = ( 0.5000000 0.1594005 -0.0000000), wk = 0.0025000 k( 57) = ( 0.5000000 0.1716621 -0.0000000), wk = 0.0025000 k( 58) = ( 0.5000000 0.1839237 -0.0000000), wk = 0.0025000 k( 59) = ( 0.5000000 0.1961852 -0.0000000), wk = 0.0025000 k( 60) = ( 0.5000000 0.2084468 -0.0000000), wk = 0.0025000 k( 61) = ( 0.5000000 0.2207084 -0.0000000), wk = 0.0025000 k( 62) = ( 0.5000000 0.2329700 -0.0000000), wk = 0.0025000 k( 63) = ( 0.5000000 0.2452315 -0.0000000), wk = 0.0025000 k( 64) = ( 0.5000000 0.2574931 -0.0000000), wk = 0.0025000 k( 65) = ( 0.5000000 0.2697547 -0.0000000), wk = 0.0025000 k( 66) = ( 0.5000000 0.2820163 -0.0000000), wk = 0.0025000 k( 67) = ( 0.5000000 0.2942778 -0.0000000), wk = 0.0025000 k( 68) = ( 0.5000000 0.3065394 -0.0000000), wk = 0.0025000 k( 69) = ( 0.5000000 0.3188010 -0.0000000), wk = 0.0025000 k( 70) = ( 0.5000000 0.3310626 -0.0000000), wk = 0.0025000 k( 71) = ( 0.5000000 0.3433242 -0.0000000), wk = 0.0025000 k( 72) = ( 0.5000000 0.3555857 -0.0000000), wk = 0.0025000 k( 73) = ( 0.5000000 0.3678473 -0.0000000), wk = 0.0025000 k( 74) = ( 0.5000000 0.3678473 -0.0000000), wk = 0.0025000 k( 75) = ( 0.4878049 0.3678473 -0.0000000), wk = 0.0025000 k( 76) = ( 0.4756098 0.3678473 -0.0000000), wk = 0.0025000 k( 77) = ( 0.4634146 0.3678473 -0.0000000), wk = 0.0025000 k( 78) = ( 0.4512195 0.3678473 -0.0000000), wk = 0.0025000 k( 79) = ( 0.4390244 0.3678473 -0.0000000), wk = 0.0025000 k( 80) = ( 0.4268293 0.3678473 -0.0000000), wk = 0.0025000 k( 81) = ( 0.4146341 0.3678473 -0.0000000), wk = 0.0025000 k( 82) = ( 0.4024390 0.3678473 -0.0000000), wk = 0.0025000 k( 83) = ( 0.3902439 0.3678473 -0.0000000), wk = 0.0025000 k( 84) = ( 0.3780488 0.3678473 -0.0000000), wk = 0.0025000 k( 85) = ( 0.3658537 0.3678473 -0.0000000), wk = 0.0025000 k( 86) = ( 0.3536585 0.3678473 -0.0000000), wk = 0.0025000 k( 87) = ( 0.3414634 0.3678473 -0.0000000), wk = 0.0025000 k( 88) = ( 0.3292683 0.3678473 -0.0000000), wk = 0.0025000 k( 89) = ( 0.3170732 0.3678473 -0.0000000), wk = 0.0025000 k( 90) = ( 0.3048781 0.3678473 -0.0000000), wk = 0.0025000 k( 91) = ( 0.2926829 0.3678473 -0.0000000), wk = 0.0025000 k( 92) = ( 0.2804878 0.3678473 -0.0000000), wk = 0.0025000 k( 93) = ( 0.2682927 0.3678473 -0.0000000), wk = 0.0025000 k( 94) = ( 0.2560976 0.3678473 -0.0000000), wk = 0.0025000 k( 95) = ( 0.2439024 0.3678473 -0.0000000), wk = 0.0025000 k( 96) = ( 0.2317073 0.3678473 -0.0000000), wk = 0.0025000 k( 97) = ( 0.2195122 0.3678473 -0.0000000), wk = 0.0025000 k( 98) = ( 0.2073171 0.3678473 -0.0000000), wk = 0.0025000 k( 99) = ( 0.1951219 0.3678473 -0.0000000), wk = 0.0025000 k( 100) = ( 0.1829268 0.3678473 -0.0000000), wk = 0.0025000 k( 101) = ( 0.1707317 0.3678473 -0.0000000), wk = 0.0025000 k( 102) = ( 0.1585366 0.3678473 -0.0000000), wk = 0.0025000 k( 103) = ( 0.1463415 0.3678473 -0.0000000), wk = 0.0025000 k( 104) = ( 0.1341463 0.3678473 -0.0000000), wk = 0.0025000 k( 105) = ( 0.1219512 0.3678473 -0.0000000), wk = 0.0025000 k( 106) = ( 0.1097561 0.3678473 -0.0000000), wk = 0.0025000 k( 107) = ( 0.0975610 0.3678473 -0.0000000), wk = 0.0025000 k( 108) = ( 0.0853658 0.3678473 -0.0000000), wk = 0.0025000 k( 109) = ( 0.0731707 0.3678473 -0.0000000), wk = 0.0025000 k( 110) = ( 0.0609756 0.3678473 -0.0000000), wk = 0.0025000 k( 111) = ( 0.0487805 0.3678473 -0.0000000), wk = 0.0025000 k( 112) = ( 0.0365854 0.3678473 -0.0000000), wk = 0.0025000 k( 113) = ( 0.0243902 0.3678473 -0.0000000), wk = 0.0025000 k( 114) = ( 0.0121951 0.3678473 -0.0000000), wk = 0.0025000 k( 115) = ( 0.0000000 0.3678473 -0.0000000), wk = 0.0025000 k( 116) = ( 0.0000000 0.3678473 -0.0000000), wk = 0.0025000 k( 117) = ( 0.0000000 0.3555857 -0.0000000), wk = 0.0025000 k( 118) = ( 0.0000000 0.3433242 -0.0000000), wk = 0.0025000 k( 119) = ( 0.0000000 0.3310626 -0.0000000), wk = 0.0025000 k( 120) = ( 0.0000000 0.3188010 -0.0000000), wk = 0.0025000 k( 121) = ( 0.0000000 0.3065394 -0.0000000), wk = 0.0025000 k( 122) = ( 0.0000000 0.2942778 -0.0000000), wk = 0.0025000 k( 123) = ( 0.0000000 0.2820163 -0.0000000), wk = 0.0025000 k( 124) = ( 0.0000000 0.2697547 -0.0000000), wk = 0.0025000 k( 125) = ( 0.0000000 0.2574931 -0.0000000), wk = 0.0025000 k( 126) = ( 0.0000000 0.2452315 -0.0000000), wk = 0.0025000 k( 127) = ( 0.0000000 0.2329700 -0.0000000), wk = 0.0025000 k( 128) = ( 0.0000000 0.2207084 -0.0000000), wk = 0.0025000 k( 129) = ( 0.0000000 0.2084468 -0.0000000), wk = 0.0025000 k( 130) = ( 0.0000000 0.1961852 -0.0000000), wk = 0.0025000 k( 131) = ( 0.0000000 0.1839237 -0.0000000), wk = 0.0025000 k( 132) = ( 0.0000000 0.1716621 -0.0000000), wk = 0.0025000 k( 133) = ( 0.0000000 0.1594005 -0.0000000), wk = 0.0025000 k( 134) = ( 0.0000000 0.1471389 -0.0000000), wk = 0.0025000 k( 135) = ( 0.0000000 0.1348773 -0.0000000), wk = 0.0025000 k( 136) = ( 0.0000000 0.1226158 -0.0000000), wk = 0.0025000 k( 137) = ( 0.0000000 0.1103542 -0.0000000), wk = 0.0025000 k( 138) = ( 0.0000000 0.0980926 -0.0000000), wk = 0.0025000 k( 139) = ( 0.0000000 0.0858310 -0.0000000), wk = 0.0025000 k( 140) = ( 0.0000000 0.0735695 -0.0000000), wk = 0.0025000 k( 141) = ( 0.0000000 0.0613079 -0.0000000), wk = 0.0025000 k( 142) = ( 0.0000000 0.0490463 -0.0000000), wk = 0.0025000 k( 143) = ( 0.0000000 0.0367847 -0.0000000), wk = 0.0025000 k( 144) = ( 0.0000000 0.0245232 -0.0000000), wk = 0.0025000 k( 145) = ( 0.0000000 0.0122616 -0.0000000), wk = 0.0025000 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 148) = ( 0.0000000 0.0000000 0.0118853), wk = 0.0025000 k( 149) = ( 0.0000000 0.0000000 0.0237707), wk = 0.0025000 k( 150) = ( 0.0000000 0.0000000 0.0356560), wk = 0.0025000 k( 151) = ( 0.0000000 0.0000000 0.0475414), wk = 0.0025000 k( 152) = ( 0.0000000 0.0000000 0.0594267), wk = 0.0025000 k( 153) = ( 0.0000000 0.0000000 0.0713121), wk = 0.0025000 k( 154) = ( 0.0000000 0.0000000 0.0831974), wk = 0.0025000 k( 155) = ( 0.0000000 0.0000000 0.0950828), wk = 0.0025000 k( 156) = ( 0.0000000 0.0000000 0.1069681), wk = 0.0025000 k( 157) = ( 0.0000000 0.0000000 0.1188534), wk = 0.0025000 k( 158) = ( 0.0000000 0.0000000 0.1307388), wk = 0.0025000 k( 159) = ( 0.0000000 0.0000000 0.1426241), wk = 0.0025000 k( 160) = ( 0.0000000 0.0000000 0.1545095), wk = 0.0025000 k( 161) = ( 0.0000000 0.0000000 0.1663948), wk = 0.0025000 k( 162) = ( 0.0000000 0.0000000 0.1782802), wk = 0.0025000 k( 163) = ( 0.0000000 0.0000000 0.1901655), wk = 0.0025000 k( 164) = ( 0.0000000 0.0000000 0.2020509), wk = 0.0025000 k( 165) = ( 0.0000000 0.0000000 0.2139362), wk = 0.0025000 k( 166) = ( 0.0000000 0.0000000 0.2258216), wk = 0.0025000 k( 167) = ( 0.0000000 0.0000000 0.2377069), wk = 0.0025000 k( 168) = ( 0.0000000 0.0000000 0.2495922), wk = 0.0025000 k( 169) = ( 0.0000000 0.0000000 0.2614776), wk = 0.0025000 k( 170) = ( 0.0000000 0.0000000 0.2733629), wk = 0.0025000 k( 171) = ( 0.0000000 0.0000000 0.2852483), wk = 0.0025000 k( 172) = ( 0.0000000 0.0000000 0.2971336), wk = 0.0025000 k( 173) = ( 0.0000000 0.0000000 0.3090190), wk = 0.0025000 k( 174) = ( 0.0000000 0.0000000 0.3090190), wk = 0.0025000 k( 175) = ( 0.0121951 -0.0000000 0.3090190), wk = 0.0025000 k( 176) = ( 0.0243902 -0.0000000 0.3090190), wk = 0.0025000 k( 177) = ( 0.0365854 -0.0000000 0.3090190), wk = 0.0025000 k( 178) = ( 0.0487805 -0.0000000 0.3090190), wk = 0.0025000 k( 179) = ( 0.0609756 -0.0000000 0.3090190), wk = 0.0025000 k( 180) = ( 0.0731707 -0.0000000 0.3090190), wk = 0.0025000 k( 181) = ( 0.0853658 -0.0000000 0.3090190), wk = 0.0025000 k( 182) = ( 0.0975610 -0.0000000 0.3090190), wk = 0.0025000 k( 183) = ( 0.1097561 -0.0000000 0.3090190), wk = 0.0025000 k( 184) = ( 0.1219512 -0.0000000 0.3090190), wk = 0.0025000 k( 185) = ( 0.1341463 -0.0000000 0.3090190), wk = 0.0025000 k( 186) = ( 0.1463415 -0.0000000 0.3090190), wk = 0.0025000 k( 187) = ( 0.1585366 -0.0000000 0.3090190), wk = 0.0025000 k( 188) = ( 0.1707317 -0.0000000 0.3090190), wk = 0.0025000 k( 189) = ( 0.1829268 -0.0000000 0.3090190), wk = 0.0025000 k( 190) = ( 0.1951219 -0.0000000 0.3090190), wk = 0.0025000 k( 191) = ( 0.2073171 -0.0000000 0.3090190), wk = 0.0025000 k( 192) = ( 0.2195122 -0.0000000 0.3090190), wk = 0.0025000 k( 193) = ( 0.2317073 -0.0000000 0.3090190), wk = 0.0025000 k( 194) = ( 0.2439024 -0.0000000 0.3090190), wk = 0.0025000 k( 195) = ( 0.2560976 -0.0000000 0.3090190), wk = 0.0025000 k( 196) = ( 0.2682927 -0.0000000 0.3090190), wk = 0.0025000 k( 197) = ( 0.2804878 -0.0000000 0.3090190), wk = 0.0025000 k( 198) = ( 0.2926829 -0.0000000 0.3090190), wk = 0.0025000 k( 199) = ( 0.3048781 -0.0000000 0.3090190), wk = 0.0025000 k( 200) = ( 0.3170732 -0.0000000 0.3090190), wk = 0.0025000 k( 201) = ( 0.3292683 -0.0000000 0.3090190), wk = 0.0025000 k( 202) = ( 0.3414634 -0.0000000 0.3090190), wk = 0.0025000 k( 203) = ( 0.3536585 -0.0000000 0.3090190), wk = 0.0025000 k( 204) = ( 0.3658537 -0.0000000 0.3090190), wk = 0.0025000 k( 205) = ( 0.3780488 -0.0000000 0.3090190), wk = 0.0025000 k( 206) = ( 0.3902439 -0.0000000 0.3090190), wk = 0.0025000 k( 207) = ( 0.4024390 -0.0000000 0.3090190), wk = 0.0025000 k( 208) = ( 0.4146341 -0.0000000 0.3090190), wk = 0.0025000 k( 209) = ( 0.4268293 -0.0000000 0.3090190), wk = 0.0025000 k( 210) = ( 0.4390244 -0.0000000 0.3090190), wk = 0.0025000 k( 211) = ( 0.4512195 -0.0000000 0.3090190), wk = 0.0025000 k( 212) = ( 0.4634146 -0.0000000 0.3090190), wk = 0.0025000 k( 213) = ( 0.4756098 -0.0000000 0.3090190), wk = 0.0025000 k( 214) = ( 0.4878049 -0.0000000 0.3090190), wk = 0.0025000 k( 215) = ( 0.5000000 -0.0000000 0.3090190), wk = 0.0025000 k( 216) = ( 0.5000000 -0.0000000 0.3090190), wk = 0.0025000 k( 217) = ( 0.5000000 0.0122616 0.3090190), wk = 0.0025000 k( 218) = ( 0.5000000 0.0245232 0.3090190), wk = 0.0025000 k( 219) = ( 0.5000000 0.0367847 0.3090190), wk = 0.0025000 k( 220) = ( 0.5000000 0.0490463 0.3090190), wk = 0.0025000 k( 221) = ( 0.5000000 0.0613079 0.3090190), wk = 0.0025000 k( 222) = ( 0.5000000 0.0735695 0.3090190), wk = 0.0025000 k( 223) = ( 0.5000000 0.0858310 0.3090190), wk = 0.0025000 k( 224) = ( 0.5000000 0.0980926 0.3090190), wk = 0.0025000 k( 225) = ( 0.5000000 0.1103542 0.3090190), wk = 0.0025000 k( 226) = ( 0.5000000 0.1226158 0.3090190), wk = 0.0025000 k( 227) = ( 0.5000000 0.1348773 0.3090190), wk = 0.0025000 k( 228) = ( 0.5000000 0.1471389 0.3090190), wk = 0.0025000 k( 229) = ( 0.5000000 0.1594005 0.3090190), wk = 0.0025000 k( 230) = ( 0.5000000 0.1716621 0.3090190), wk = 0.0025000 k( 231) = ( 0.5000000 0.1839237 0.3090190), wk = 0.0025000 k( 232) = ( 0.5000000 0.1961852 0.3090190), wk = 0.0025000 k( 233) = ( 0.5000000 0.2084468 0.3090190), wk = 0.0025000 k( 234) = ( 0.5000000 0.2207084 0.3090190), wk = 0.0025000 k( 235) = ( 0.5000000 0.2329700 0.3090190), wk = 0.0025000 k( 236) = ( 0.5000000 0.2452315 0.3090190), wk = 0.0025000 k( 237) = ( 0.5000000 0.2574931 0.3090190), wk = 0.0025000 k( 238) = ( 0.5000000 0.2697547 0.3090190), wk = 0.0025000 k( 239) = ( 0.5000000 0.2820163 0.3090190), wk = 0.0025000 k( 240) = ( 0.5000000 0.2942778 0.3090190), wk = 0.0025000 k( 241) = ( 0.5000000 0.3065394 0.3090190), wk = 0.0025000 k( 242) = ( 0.5000000 0.3188010 0.3090190), wk = 0.0025000 k( 243) = ( 0.5000000 0.3310626 0.3090190), wk = 0.0025000 k( 244) = ( 0.5000000 0.3433242 0.3090190), wk = 0.0025000 k( 245) = ( 0.5000000 0.3555857 0.3090190), wk = 0.0025000 k( 246) = ( 0.5000000 0.3678473 0.3090190), wk = 0.0025000 k( 247) = ( 0.5000000 0.3678473 0.3090190), wk = 0.0025000 k( 248) = ( 0.4878049 0.3678473 0.3090190), wk = 0.0025000 k( 249) = ( 0.4756098 0.3678473 0.3090190), wk = 0.0025000 k( 250) = ( 0.4634146 0.3678473 0.3090190), wk = 0.0025000 k( 251) = ( 0.4512195 0.3678473 0.3090190), wk = 0.0025000 k( 252) = ( 0.4390244 0.3678473 0.3090190), wk = 0.0025000 k( 253) = ( 0.4268293 0.3678473 0.3090190), wk = 0.0025000 k( 254) = ( 0.4146341 0.3678473 0.3090190), wk = 0.0025000 k( 255) = ( 0.4024390 0.3678473 0.3090190), wk = 0.0025000 k( 256) = ( 0.3902439 0.3678473 0.3090190), wk = 0.0025000 k( 257) = ( 0.3780488 0.3678473 0.3090190), wk = 0.0025000 k( 258) = ( 0.3658537 0.3678473 0.3090190), wk = 0.0025000 k( 259) = ( 0.3536585 0.3678473 0.3090190), wk = 0.0025000 k( 260) = ( 0.3414634 0.3678473 0.3090190), wk = 0.0025000 k( 261) = ( 0.3292683 0.3678473 0.3090190), wk = 0.0025000 k( 262) = ( 0.3170732 0.3678473 0.3090190), wk = 0.0025000 k( 263) = ( 0.3048781 0.3678473 0.3090190), wk = 0.0025000 k( 264) = ( 0.2926829 0.3678473 0.3090190), wk = 0.0025000 k( 265) = ( 0.2804878 0.3678473 0.3090190), wk = 0.0025000 k( 266) = ( 0.2682927 0.3678473 0.3090190), wk = 0.0025000 k( 267) = ( 0.2560976 0.3678473 0.3090190), wk = 0.0025000 k( 268) = ( 0.2439024 0.3678473 0.3090190), wk = 0.0025000 k( 269) = ( 0.2317073 0.3678473 0.3090190), wk = 0.0025000 k( 270) = ( 0.2195122 0.3678473 0.3090190), wk = 0.0025000 k( 271) = ( 0.2073171 0.3678473 0.3090190), wk = 0.0025000 k( 272) = ( 0.1951219 0.3678473 0.3090190), wk = 0.0025000 k( 273) = ( 0.1829268 0.3678473 0.3090190), wk = 0.0025000 k( 274) = ( 0.1707317 0.3678473 0.3090190), wk = 0.0025000 k( 275) = ( 0.1585366 0.3678473 0.3090190), wk = 0.0025000 k( 276) = ( 0.1463415 0.3678473 0.3090190), wk = 0.0025000 k( 277) = ( 0.1341463 0.3678473 0.3090190), wk = 0.0025000 k( 278) = ( 0.1219512 0.3678473 0.3090190), wk = 0.0025000 k( 279) = ( 0.1097561 0.3678473 0.3090190), wk = 0.0025000 k( 280) = ( 0.0975610 0.3678473 0.3090190), wk = 0.0025000 k( 281) = ( 0.0853658 0.3678473 0.3090190), wk = 0.0025000 k( 282) = ( 0.0731707 0.3678473 0.3090190), wk = 0.0025000 k( 283) = ( 0.0609756 0.3678473 0.3090190), wk = 0.0025000 k( 284) = ( 0.0487805 0.3678473 0.3090190), wk = 0.0025000 k( 285) = ( 0.0365854 0.3678473 0.3090190), wk = 0.0025000 k( 286) = ( 0.0243902 0.3678473 0.3090190), wk = 0.0025000 k( 287) = ( 0.0121951 0.3678473 0.3090190), wk = 0.0025000 k( 288) = ( 0.0000000 0.3678473 0.3090190), wk = 0.0025000 k( 289) = ( 0.0000000 0.3678473 0.3090190), wk = 0.0025000 k( 290) = ( 0.0000000 0.3555857 0.3090190), wk = 0.0025000 k( 291) = ( 0.0000000 0.3433242 0.3090190), wk = 0.0025000 k( 292) = ( 0.0000000 0.3310626 0.3090190), wk = 0.0025000 k( 293) = ( 0.0000000 0.3188010 0.3090190), wk = 0.0025000 k( 294) = ( 0.0000000 0.3065394 0.3090190), wk = 0.0025000 k( 295) = ( 0.0000000 0.2942778 0.3090190), wk = 0.0025000 k( 296) = ( 0.0000000 0.2820163 0.3090190), wk = 0.0025000 k( 297) = ( 0.0000000 0.2697547 0.3090190), wk = 0.0025000 k( 298) = ( 0.0000000 0.2574931 0.3090190), wk = 0.0025000 k( 299) = ( 0.0000000 0.2452315 0.3090190), wk = 0.0025000 k( 300) = ( 0.0000000 0.2329700 0.3090190), wk = 0.0025000 k( 301) = ( 0.0000000 0.2207084 0.3090190), wk = 0.0025000 k( 302) = ( 0.0000000 0.2084468 0.3090190), wk = 0.0025000 k( 303) = ( 0.0000000 0.1961852 0.3090190), wk = 0.0025000 k( 304) = ( 0.0000000 0.1839237 0.3090190), wk = 0.0025000 k( 305) = ( 0.0000000 0.1716621 0.3090190), wk = 0.0025000 k( 306) = ( 0.0000000 0.1594005 0.3090190), wk = 0.0025000 k( 307) = ( 0.0000000 0.1471389 0.3090190), wk = 0.0025000 k( 308) = ( 0.0000000 0.1348773 0.3090190), wk = 0.0025000 k( 309) = ( 0.0000000 0.1226158 0.3090190), wk = 0.0025000 k( 310) = ( 0.0000000 0.1103542 0.3090190), wk = 0.0025000 k( 311) = ( 0.0000000 0.0980926 0.3090190), wk = 0.0025000 k( 312) = ( 0.0000000 0.0858310 0.3090190), wk = 0.0025000 k( 313) = ( 0.0000000 0.0735695 0.3090190), wk = 0.0025000 k( 314) = ( 0.0000000 0.0613079 0.3090190), wk = 0.0025000 k( 315) = ( 0.0000000 0.0490463 0.3090190), wk = 0.0025000 k( 316) = ( 0.0000000 0.0367847 0.3090190), wk = 0.0025000 k( 317) = ( 0.0000000 0.0245232 0.3090190), wk = 0.0025000 k( 318) = ( 0.0000000 0.0122616 0.3090190), wk = 0.0025000 k( 319) = ( 0.0000000 0.0000000 0.3090190), wk = 0.0025000 k( 320) = ( 0.0000000 0.3678473 -0.0000000), wk = 0.0025000 k( 321) = ( 0.0000000 0.3678473 0.0118853), wk = 0.0025000 k( 322) = ( 0.0000000 0.3678473 0.0237707), wk = 0.0025000 k( 323) = ( 0.0000000 0.3678473 0.0356560), wk = 0.0025000 k( 324) = ( 0.0000000 0.3678473 0.0475414), wk = 0.0025000 k( 325) = ( 0.0000000 0.3678473 0.0594267), wk = 0.0025000 k( 326) = ( 0.0000000 0.3678473 0.0713121), wk = 0.0025000 k( 327) = ( 0.0000000 0.3678473 0.0831974), wk = 0.0025000 k( 328) = ( 0.0000000 0.3678473 0.0950828), wk = 0.0025000 k( 329) = ( 0.0000000 0.3678473 0.1069681), wk = 0.0025000 k( 330) = ( 0.0000000 0.3678473 0.1188534), wk = 0.0025000 k( 331) = ( 0.0000000 0.3678473 0.1307388), wk = 0.0025000 k( 332) = ( 0.0000000 0.3678473 0.1426241), wk = 0.0025000 k( 333) = ( 0.0000000 0.3678473 0.1545095), wk = 0.0025000 k( 334) = ( 0.0000000 0.3678473 0.1663948), wk = 0.0025000 k( 335) = ( 0.0000000 0.3678473 0.1782802), wk = 0.0025000 k( 336) = ( 0.0000000 0.3678473 0.1901655), wk = 0.0025000 k( 337) = ( 0.0000000 0.3678473 0.2020509), wk = 0.0025000 k( 338) = ( 0.0000000 0.3678473 0.2139362), wk = 0.0025000 k( 339) = ( 0.0000000 0.3678473 0.2258216), wk = 0.0025000 k( 340) = ( 0.0000000 0.3678473 0.2377069), wk = 0.0025000 k( 341) = ( 0.0000000 0.3678473 0.2495922), wk = 0.0025000 k( 342) = ( 0.0000000 0.3678473 0.2614776), wk = 0.0025000 k( 343) = ( 0.0000000 0.3678473 0.2733629), wk = 0.0025000 k( 344) = ( 0.0000000 0.3678473 0.2852483), wk = 0.0025000 k( 345) = ( 0.0000000 0.3678473 0.2971336), wk = 0.0025000 k( 346) = ( 0.0000000 0.3678473 0.3090190), wk = 0.0025000 k( 347) = ( 0.5000000 -0.0000000 0.3090190), wk = 0.0025000 k( 348) = ( 0.5000000 -0.0000000 0.2971336), wk = 0.0025000 k( 349) = ( 0.5000000 -0.0000000 0.2852483), wk = 0.0025000 k( 350) = ( 0.5000000 -0.0000000 0.2733629), wk = 0.0025000 k( 351) = ( 0.5000000 -0.0000000 0.2614776), wk = 0.0025000 k( 352) = ( 0.5000000 -0.0000000 0.2495922), wk = 0.0025000 k( 353) = ( 0.5000000 -0.0000000 0.2377069), wk = 0.0025000 k( 354) = ( 0.5000000 -0.0000000 0.2258216), wk = 0.0025000 k( 355) = ( 0.5000000 -0.0000000 0.2139362), wk = 0.0025000 k( 356) = ( 0.5000000 -0.0000000 0.2020509), wk = 0.0025000 k( 357) = ( 0.5000000 -0.0000000 0.1901655), wk = 0.0025000 k( 358) = ( 0.5000000 -0.0000000 0.1782802), wk = 0.0025000 k( 359) = ( 0.5000000 -0.0000000 0.1663948), wk = 0.0025000 k( 360) = ( 0.5000000 -0.0000000 0.1545095), wk = 0.0025000 k( 361) = ( 0.5000000 -0.0000000 0.1426241), wk = 0.0025000 k( 362) = ( 0.5000000 -0.0000000 0.1307388), wk = 0.0025000 k( 363) = ( 0.5000000 -0.0000000 0.1188534), wk = 0.0025000 k( 364) = ( 0.5000000 -0.0000000 0.1069681), wk = 0.0025000 k( 365) = ( 0.5000000 -0.0000000 0.0950828), wk = 0.0025000 k( 366) = ( 0.5000000 -0.0000000 0.0831974), wk = 0.0025000 k( 367) = ( 0.5000000 -0.0000000 0.0713121), wk = 0.0025000 k( 368) = ( 0.5000000 -0.0000000 0.0594267), wk = 0.0025000 k( 369) = ( 0.5000000 -0.0000000 0.0475414), wk = 0.0025000 k( 370) = ( 0.5000000 -0.0000000 0.0356560), wk = 0.0025000 k( 371) = ( 0.5000000 -0.0000000 0.0237707), wk = 0.0025000 k( 372) = ( 0.5000000 -0.0000000 0.0118853), wk = 0.0025000 k( 373) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025000 k( 374) = ( 0.5000000 0.3678473 -0.0000000), wk = 0.0025000 k( 375) = ( 0.5000000 0.3678473 0.0118853), wk = 0.0025000 k( 376) = ( 0.5000000 0.3678473 0.0237707), wk = 0.0025000 k( 377) = ( 0.5000000 0.3678473 0.0356560), wk = 0.0025000 k( 378) = ( 0.5000000 0.3678473 0.0475414), wk = 0.0025000 k( 379) = ( 0.5000000 0.3678473 0.0594267), wk = 0.0025000 k( 380) = ( 0.5000000 0.3678473 0.0713121), wk = 0.0025000 k( 381) = ( 0.5000000 0.3678473 0.0831974), wk = 0.0025000 k( 382) = ( 0.5000000 0.3678473 0.0950828), wk = 0.0025000 k( 383) = ( 0.5000000 0.3678473 0.1069681), wk = 0.0025000 k( 384) = ( 0.5000000 0.3678473 0.1188534), wk = 0.0025000 k( 385) = ( 0.5000000 0.3678473 0.1307388), wk = 0.0025000 k( 386) = ( 0.5000000 0.3678473 0.1426241), wk = 0.0025000 k( 387) = ( 0.5000000 0.3678473 0.1545095), wk = 0.0025000 k( 388) = ( 0.5000000 0.3678473 0.1663948), wk = 0.0025000 k( 389) = ( 0.5000000 0.3678473 0.1782802), wk = 0.0025000 k( 390) = ( 0.5000000 0.3678473 0.1901655), wk = 0.0025000 k( 391) = ( 0.5000000 0.3678473 0.2020509), wk = 0.0025000 k( 392) = ( 0.5000000 0.3678473 0.2139362), wk = 0.0025000 k( 393) = ( 0.5000000 0.3678473 0.2258216), wk = 0.0025000 k( 394) = ( 0.5000000 0.3678473 0.2377069), wk = 0.0025000 k( 395) = ( 0.5000000 0.3678473 0.2495922), wk = 0.0025000 k( 396) = ( 0.5000000 0.3678473 0.2614776), wk = 0.0025000 k( 397) = ( 0.5000000 0.3678473 0.2733629), wk = 0.0025000 k( 398) = ( 0.5000000 0.3678473 0.2852483), wk = 0.0025000 k( 399) = ( 0.5000000 0.3678473 0.2971336), wk = 0.0025000 k( 400) = ( 0.5000000 0.3678473 0.3090190), wk = 0.0025000 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 2) = ( 0.0121951 -0.0000000 -0.0000000), wk = 0.0025000 k( 3) = ( 0.0243902 -0.0000000 -0.0000000), wk = 0.0025000 k( 4) = ( 0.0365854 0.0000000 -0.0000000), wk = 0.0025000 k( 5) = ( 0.0487805 -0.0000000 -0.0000000), wk = 0.0025000 k( 6) = ( 0.0609756 0.0000000 0.0000000), wk = 0.0025000 k( 7) = ( 0.0731707 0.0000000 -0.0000000), wk = 0.0025000 k( 8) = ( 0.0853658 -0.0000000 -0.0000000), wk = 0.0025000 k( 9) = ( 0.0975610 -0.0000000 -0.0000000), wk = 0.0025000 k( 10) = ( 0.1097561 0.0000000 0.0000000), wk = 0.0025000 k( 11) = ( 0.1219512 0.0000000 0.0000000), wk = 0.0025000 k( 12) = ( 0.1341463 0.0000000 -0.0000000), wk = 0.0025000 k( 13) = ( 0.1463415 0.0000000 -0.0000000), wk = 0.0025000 k( 14) = ( 0.1585366 0.0000000 -0.0000000), wk = 0.0025000 k( 15) = ( 0.1707317 0.0000000 0.0000000), wk = 0.0025000 k( 16) = ( 0.1829268 0.0000000 0.0000000), wk = 0.0025000 k( 17) = ( 0.1951219 0.0000000 -0.0000000), wk = 0.0025000 k( 18) = ( 0.2073171 -0.0000000 -0.0000000), wk = 0.0025000 k( 19) = ( 0.2195122 0.0000000 0.0000000), wk = 0.0025000 k( 20) = ( 0.2317073 0.0000000 -0.0000000), wk = 0.0025000 k( 21) = ( 0.2439024 0.0000000 0.0000000), wk = 0.0025000 k( 22) = ( 0.2560976 0.0000000 -0.0000000), wk = 0.0025000 k( 23) = ( 0.2682927 0.0000000 -0.0000000), wk = 0.0025000 k( 24) = ( 0.2804878 0.0000000 -0.0000000), wk = 0.0025000 k( 25) = ( 0.2926829 0.0000000 -0.0000000), wk = 0.0025000 k( 26) = ( 0.3048781 0.0000000 0.0000000), wk = 0.0025000 k( 27) = ( 0.3170732 0.0000000 -0.0000000), wk = 0.0025000 k( 28) = ( 0.3292683 0.0000000 -0.0000000), wk = 0.0025000 k( 29) = ( 0.3414634 -0.0000000 -0.0000000), wk = 0.0025000 k( 30) = ( 0.3536585 0.0000000 0.0000000), wk = 0.0025000 k( 31) = ( 0.3658537 0.0000000 0.0000000), wk = 0.0025000 k( 32) = ( 0.3780488 0.0000000 0.0000000), wk = 0.0025000 k( 33) = ( 0.3902439 0.0000000 -0.0000000), wk = 0.0025000 k( 34) = ( 0.4024390 0.0000000 -0.0000000), wk = 0.0025000 k( 35) = ( 0.4146341 0.0000000 0.0000000), wk = 0.0025000 k( 36) = ( 0.4268293 0.0000000 -0.0000000), wk = 0.0025000 k( 37) = ( 0.4390244 0.0000000 -0.0000000), wk = 0.0025000 k( 38) = ( 0.4512195 0.0000000 0.0000000), wk = 0.0025000 k( 39) = ( 0.4634146 0.0000000 -0.0000000), wk = 0.0025000 k( 40) = ( 0.4756098 0.0000000 -0.0000000), wk = 0.0025000 k( 41) = ( 0.4878049 0.0000000 0.0000000), wk = 0.0025000 k( 42) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0025000 k( 43) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0025000 k( 44) = ( 0.5000000 0.0166667 0.0000000), wk = 0.0025000 k( 45) = ( 0.5000000 0.0333333 0.0000000), wk = 0.0025000 k( 46) = ( 0.5000000 0.0500000 0.0000000), wk = 0.0025000 k( 47) = ( 0.5000000 0.0666667 -0.0000000), wk = 0.0025000 k( 48) = ( 0.5000000 0.0833333 0.0000000), wk = 0.0025000 k( 49) = ( 0.5000000 0.1000000 0.0000000), wk = 0.0025000 k( 50) = ( 0.5000000 0.1166667 -0.0000000), wk = 0.0025000 k( 51) = ( 0.5000000 0.1333333 -0.0000000), wk = 0.0025000 k( 52) = ( 0.5000000 0.1500000 -0.0000000), wk = 0.0025000 k( 53) = ( 0.5000000 0.1666667 -0.0000000), wk = 0.0025000 k( 54) = ( 0.5000000 0.1833333 -0.0000000), wk = 0.0025000 k( 55) = ( 0.5000000 0.2000000 0.0000000), wk = 0.0025000 k( 56) = ( 0.5000000 0.2166667 0.0000000), wk = 0.0025000 k( 57) = ( 0.5000000 0.2333333 0.0000000), wk = 0.0025000 k( 58) = ( 0.5000000 0.2500000 0.0000000), wk = 0.0025000 k( 59) = ( 0.5000000 0.2666667 0.0000000), wk = 0.0025000 k( 60) = ( 0.5000000 0.2833333 0.0000000), wk = 0.0025000 k( 61) = ( 0.5000000 0.3000000 -0.0000000), wk = 0.0025000 k( 62) = ( 0.5000000 0.3166667 0.0000000), wk = 0.0025000 k( 63) = ( 0.5000000 0.3333333 0.0000000), wk = 0.0025000 k( 64) = ( 0.5000000 0.3500000 0.0000000), wk = 0.0025000 k( 65) = ( 0.5000000 0.3666667 0.0000000), wk = 0.0025000 k( 66) = ( 0.5000000 0.3833333 0.0000000), wk = 0.0025000 k( 67) = ( 0.5000000 0.4000000 0.0000000), wk = 0.0025000 k( 68) = ( 0.5000000 0.4166667 0.0000000), wk = 0.0025000 k( 69) = ( 0.5000000 0.4333333 -0.0000000), wk = 0.0025000 k( 70) = ( 0.5000000 0.4500000 -0.0000000), wk = 0.0025000 k( 71) = ( 0.5000000 0.4666667 0.0000000), wk = 0.0025000 k( 72) = ( 0.5000000 0.4833333 -0.0000000), wk = 0.0025000 k( 73) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025000 k( 74) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025000 k( 75) = ( 0.4878049 0.5000000 0.0000000), wk = 0.0025000 k( 76) = ( 0.4756098 0.5000000 -0.0000000), wk = 0.0025000 k( 77) = ( 0.4634146 0.5000000 0.0000000), wk = 0.0025000 k( 78) = ( 0.4512195 0.5000000 0.0000000), wk = 0.0025000 k( 79) = ( 0.4390244 0.5000000 -0.0000000), wk = 0.0025000 k( 80) = ( 0.4268293 0.5000000 0.0000000), wk = 0.0025000 k( 81) = ( 0.4146341 0.5000000 0.0000000), wk = 0.0025000 k( 82) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0025000 k( 83) = ( 0.3902439 0.5000000 0.0000000), wk = 0.0025000 k( 84) = ( 0.3780488 0.5000000 0.0000000), wk = 0.0025000 k( 85) = ( 0.3658537 0.5000000 0.0000000), wk = 0.0025000 k( 86) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0025000 k( 87) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0025000 k( 88) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0025000 k( 89) = ( 0.3170732 0.5000000 -0.0000000), wk = 0.0025000 k( 90) = ( 0.3048781 0.5000000 0.0000000), wk = 0.0025000 k( 91) = ( 0.2926829 0.5000000 0.0000000), wk = 0.0025000 k( 92) = ( 0.2804878 0.5000000 0.0000000), wk = 0.0025000 k( 93) = ( 0.2682927 0.5000000 0.0000000), wk = 0.0025000 k( 94) = ( 0.2560976 0.5000000 0.0000000), wk = 0.0025000 k( 95) = ( 0.2439024 0.5000000 0.0000000), wk = 0.0025000 k( 96) = ( 0.2317073 0.5000000 0.0000000), wk = 0.0025000 k( 97) = ( 0.2195122 0.5000000 0.0000000), wk = 0.0025000 k( 98) = ( 0.2073171 0.5000000 0.0000000), wk = 0.0025000 k( 99) = ( 0.1951219 0.5000000 0.0000000), wk = 0.0025000 k( 100) = ( 0.1829268 0.5000000 0.0000000), wk = 0.0025000 k( 101) = ( 0.1707317 0.5000000 0.0000000), wk = 0.0025000 k( 102) = ( 0.1585366 0.5000000 0.0000000), wk = 0.0025000 k( 103) = ( 0.1463415 0.5000000 0.0000000), wk = 0.0025000 k( 104) = ( 0.1341463 0.5000000 0.0000000), wk = 0.0025000 k( 105) = ( 0.1219512 0.5000000 0.0000000), wk = 0.0025000 k( 106) = ( 0.1097561 0.5000000 0.0000000), wk = 0.0025000 k( 107) = ( 0.0975610 0.5000000 0.0000000), wk = 0.0025000 k( 108) = ( 0.0853658 0.5000000 0.0000000), wk = 0.0025000 k( 109) = ( 0.0731707 0.5000000 0.0000000), wk = 0.0025000 k( 110) = ( 0.0609756 0.5000000 0.0000000), wk = 0.0025000 k( 111) = ( 0.0487805 0.5000000 0.0000000), wk = 0.0025000 k( 112) = ( 0.0365854 0.5000000 0.0000000), wk = 0.0025000 k( 113) = ( 0.0243902 0.5000000 0.0000000), wk = 0.0025000 k( 114) = ( 0.0121951 0.5000000 0.0000000), wk = 0.0025000 k( 115) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025000 k( 116) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025000 k( 117) = ( 0.0000000 0.4833333 0.0000000), wk = 0.0025000 k( 118) = ( 0.0000000 0.4666667 0.0000000), wk = 0.0025000 k( 119) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0025000 k( 120) = ( 0.0000000 0.4333333 0.0000000), wk = 0.0025000 k( 121) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0025000 k( 122) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0025000 k( 123) = ( 0.0000000 0.3833333 0.0000000), wk = 0.0025000 k( 124) = ( 0.0000000 0.3666667 0.0000000), wk = 0.0025000 k( 125) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0025000 k( 126) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0025000 k( 127) = ( 0.0000000 0.3166667 0.0000000), wk = 0.0025000 k( 128) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0025000 k( 129) = ( 0.0000000 0.2833333 0.0000000), wk = 0.0025000 k( 130) = ( 0.0000000 0.2666667 0.0000000), wk = 0.0025000 k( 131) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0025000 k( 132) = ( 0.0000000 0.2333333 0.0000000), wk = 0.0025000 k( 133) = ( 0.0000000 0.2166667 -0.0000000), wk = 0.0025000 k( 134) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0025000 k( 135) = ( 0.0000000 0.1833333 0.0000000), wk = 0.0025000 k( 136) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0025000 k( 137) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0025000 k( 138) = ( 0.0000000 0.1333333 0.0000000), wk = 0.0025000 k( 139) = ( 0.0000000 0.1166667 0.0000000), wk = 0.0025000 k( 140) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0025000 k( 141) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0025000 k( 142) = ( 0.0000000 0.0666667 0.0000000), wk = 0.0025000 k( 143) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0025000 k( 144) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0025000 k( 145) = ( 0.0000000 0.0166667 -0.0000000), wk = 0.0025000 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 148) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0025000 k( 149) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0025000 k( 150) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0025000 k( 151) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0025000 k( 152) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0025000 k( 153) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0025000 k( 154) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0025000 k( 155) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0025000 k( 156) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0025000 k( 157) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0025000 k( 158) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0025000 k( 159) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0025000 k( 160) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0025000 k( 161) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0025000 k( 162) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0025000 k( 163) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0025000 k( 164) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0025000 k( 165) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0025000 k( 166) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0025000 k( 167) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0025000 k( 168) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0025000 k( 169) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0025000 k( 170) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0025000 k( 171) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0025000 k( 172) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0025000 k( 173) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 174) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 175) = ( 0.0121951 -0.0000000 0.5000000), wk = 0.0025000 k( 176) = ( 0.0243902 -0.0000000 0.5000000), wk = 0.0025000 k( 177) = ( 0.0365854 0.0000000 0.5000000), wk = 0.0025000 k( 178) = ( 0.0487805 -0.0000000 0.5000000), wk = 0.0025000 k( 179) = ( 0.0609756 0.0000000 0.5000000), wk = 0.0025000 k( 180) = ( 0.0731707 0.0000000 0.5000000), wk = 0.0025000 k( 181) = ( 0.0853658 -0.0000000 0.5000000), wk = 0.0025000 k( 182) = ( 0.0975610 -0.0000000 0.5000000), wk = 0.0025000 k( 183) = ( 0.1097561 0.0000000 0.5000000), wk = 0.0025000 k( 184) = ( 0.1219512 0.0000000 0.5000000), wk = 0.0025000 k( 185) = ( 0.1341463 0.0000000 0.5000000), wk = 0.0025000 k( 186) = ( 0.1463415 0.0000000 0.5000000), wk = 0.0025000 k( 187) = ( 0.1585366 0.0000000 0.5000000), wk = 0.0025000 k( 188) = ( 0.1707317 0.0000000 0.5000000), wk = 0.0025000 k( 189) = ( 0.1829268 0.0000000 0.5000000), wk = 0.0025000 k( 190) = ( 0.1951219 0.0000000 0.5000000), wk = 0.0025000 k( 191) = ( 0.2073171 -0.0000000 0.5000000), wk = 0.0025000 k( 192) = ( 0.2195122 0.0000000 0.5000000), wk = 0.0025000 k( 193) = ( 0.2317073 0.0000000 0.5000000), wk = 0.0025000 k( 194) = ( 0.2439024 0.0000000 0.5000000), wk = 0.0025000 k( 195) = ( 0.2560976 0.0000000 0.5000000), wk = 0.0025000 k( 196) = ( 0.2682927 0.0000000 0.5000000), wk = 0.0025000 k( 197) = ( 0.2804878 0.0000000 0.5000000), wk = 0.0025000 k( 198) = ( 0.2926829 0.0000000 0.5000000), wk = 0.0025000 k( 199) = ( 0.3048781 0.0000000 0.5000000), wk = 0.0025000 k( 200) = ( 0.3170732 0.0000000 0.5000000), wk = 0.0025000 k( 201) = ( 0.3292683 0.0000000 0.5000000), wk = 0.0025000 k( 202) = ( 0.3414634 -0.0000000 0.5000000), wk = 0.0025000 k( 203) = ( 0.3536585 0.0000000 0.5000000), wk = 0.0025000 k( 204) = ( 0.3658537 0.0000000 0.5000000), wk = 0.0025000 k( 205) = ( 0.3780488 0.0000000 0.5000000), wk = 0.0025000 k( 206) = ( 0.3902439 0.0000000 0.5000000), wk = 0.0025000 k( 207) = ( 0.4024390 0.0000000 0.5000000), wk = 0.0025000 k( 208) = ( 0.4146341 0.0000000 0.5000000), wk = 0.0025000 k( 209) = ( 0.4268293 0.0000000 0.5000000), wk = 0.0025000 k( 210) = ( 0.4390244 0.0000000 0.5000000), wk = 0.0025000 k( 211) = ( 0.4512195 0.0000000 0.5000000), wk = 0.0025000 k( 212) = ( 0.4634146 0.0000000 0.5000000), wk = 0.0025000 k( 213) = ( 0.4756098 0.0000000 0.5000000), wk = 0.0025000 k( 214) = ( 0.4878049 0.0000000 0.5000000), wk = 0.0025000 k( 215) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025000 k( 216) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025000 k( 217) = ( 0.5000000 0.0166667 0.5000000), wk = 0.0025000 k( 218) = ( 0.5000000 0.0333333 0.5000000), wk = 0.0025000 k( 219) = ( 0.5000000 0.0500000 0.5000000), wk = 0.0025000 k( 220) = ( 0.5000000 0.0666667 0.5000000), wk = 0.0025000 k( 221) = ( 0.5000000 0.0833333 0.5000000), wk = 0.0025000 k( 222) = ( 0.5000000 0.1000000 0.5000000), wk = 0.0025000 k( 223) = ( 0.5000000 0.1166667 0.5000000), wk = 0.0025000 k( 224) = ( 0.5000000 0.1333333 0.5000000), wk = 0.0025000 k( 225) = ( 0.5000000 0.1500000 0.5000000), wk = 0.0025000 k( 226) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0025000 k( 227) = ( 0.5000000 0.1833333 0.5000000), wk = 0.0025000 k( 228) = ( 0.5000000 0.2000000 0.5000000), wk = 0.0025000 k( 229) = ( 0.5000000 0.2166667 0.5000000), wk = 0.0025000 k( 230) = ( 0.5000000 0.2333333 0.5000000), wk = 0.0025000 k( 231) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0025000 k( 232) = ( 0.5000000 0.2666667 0.5000000), wk = 0.0025000 k( 233) = ( 0.5000000 0.2833333 0.5000000), wk = 0.0025000 k( 234) = ( 0.5000000 0.3000000 0.5000000), wk = 0.0025000 k( 235) = ( 0.5000000 0.3166667 0.5000000), wk = 0.0025000 k( 236) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0025000 k( 237) = ( 0.5000000 0.3500000 0.5000000), wk = 0.0025000 k( 238) = ( 0.5000000 0.3666667 0.5000000), wk = 0.0025000 k( 239) = ( 0.5000000 0.3833333 0.5000000), wk = 0.0025000 k( 240) = ( 0.5000000 0.4000000 0.5000000), wk = 0.0025000 k( 241) = ( 0.5000000 0.4166667 0.5000000), wk = 0.0025000 k( 242) = ( 0.5000000 0.4333333 0.5000000), wk = 0.0025000 k( 243) = ( 0.5000000 0.4500000 0.5000000), wk = 0.0025000 k( 244) = ( 0.5000000 0.4666667 0.5000000), wk = 0.0025000 k( 245) = ( 0.5000000 0.4833333 0.5000000), wk = 0.0025000 k( 246) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025000 k( 247) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025000 k( 248) = ( 0.4878049 0.5000000 0.5000000), wk = 0.0025000 k( 249) = ( 0.4756098 0.5000000 0.5000000), wk = 0.0025000 k( 250) = ( 0.4634146 0.5000000 0.5000000), wk = 0.0025000 k( 251) = ( 0.4512195 0.5000000 0.5000000), wk = 0.0025000 k( 252) = ( 0.4390244 0.5000000 0.5000000), wk = 0.0025000 k( 253) = ( 0.4268293 0.5000000 0.5000000), wk = 0.0025000 k( 254) = ( 0.4146341 0.5000000 0.5000000), wk = 0.0025000 k( 255) = ( 0.4024390 0.5000000 0.5000000), wk = 0.0025000 k( 256) = ( 0.3902439 0.5000000 0.5000000), wk = 0.0025000 k( 257) = ( 0.3780488 0.5000000 0.5000000), wk = 0.0025000 k( 258) = ( 0.3658537 0.5000000 0.5000000), wk = 0.0025000 k( 259) = ( 0.3536585 0.5000000 0.5000000), wk = 0.0025000 k( 260) = ( 0.3414634 0.5000000 0.5000000), wk = 0.0025000 k( 261) = ( 0.3292683 0.5000000 0.5000000), wk = 0.0025000 k( 262) = ( 0.3170732 0.5000000 0.5000000), wk = 0.0025000 k( 263) = ( 0.3048781 0.5000000 0.5000000), wk = 0.0025000 k( 264) = ( 0.2926829 0.5000000 0.5000000), wk = 0.0025000 k( 265) = ( 0.2804878 0.5000000 0.5000000), wk = 0.0025000 k( 266) = ( 0.2682927 0.5000000 0.5000000), wk = 0.0025000 k( 267) = ( 0.2560976 0.5000000 0.5000000), wk = 0.0025000 k( 268) = ( 0.2439024 0.5000000 0.5000000), wk = 0.0025000 k( 269) = ( 0.2317073 0.5000000 0.5000000), wk = 0.0025000 k( 270) = ( 0.2195122 0.5000000 0.5000000), wk = 0.0025000 k( 271) = ( 0.2073171 0.5000000 0.5000000), wk = 0.0025000 k( 272) = ( 0.1951219 0.5000000 0.5000000), wk = 0.0025000 k( 273) = ( 0.1829268 0.5000000 0.5000000), wk = 0.0025000 k( 274) = ( 0.1707317 0.5000000 0.5000000), wk = 0.0025000 k( 275) = ( 0.1585366 0.5000000 0.5000000), wk = 0.0025000 k( 276) = ( 0.1463415 0.5000000 0.5000000), wk = 0.0025000 k( 277) = ( 0.1341463 0.5000000 0.5000000), wk = 0.0025000 k( 278) = ( 0.1219512 0.5000000 0.5000000), wk = 0.0025000 k( 279) = ( 0.1097561 0.5000000 0.5000000), wk = 0.0025000 k( 280) = ( 0.0975610 0.5000000 0.5000000), wk = 0.0025000 k( 281) = ( 0.0853658 0.5000000 0.5000000), wk = 0.0025000 k( 282) = ( 0.0731707 0.5000000 0.5000000), wk = 0.0025000 k( 283) = ( 0.0609756 0.5000000 0.5000000), wk = 0.0025000 k( 284) = ( 0.0487805 0.5000000 0.5000000), wk = 0.0025000 k( 285) = ( 0.0365854 0.5000000 0.5000000), wk = 0.0025000 k( 286) = ( 0.0243902 0.5000000 0.5000000), wk = 0.0025000 k( 287) = ( 0.0121951 0.5000000 0.5000000), wk = 0.0025000 k( 288) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025000 k( 289) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025000 k( 290) = ( 0.0000000 0.4833333 0.5000000), wk = 0.0025000 k( 291) = ( 0.0000000 0.4666667 0.5000000), wk = 0.0025000 k( 292) = ( 0.0000000 0.4500000 0.5000000), wk = 0.0025000 k( 293) = ( 0.0000000 0.4333333 0.5000000), wk = 0.0025000 k( 294) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0025000 k( 295) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0025000 k( 296) = ( 0.0000000 0.3833333 0.5000000), wk = 0.0025000 k( 297) = ( 0.0000000 0.3666667 0.5000000), wk = 0.0025000 k( 298) = ( 0.0000000 0.3500000 0.5000000), wk = 0.0025000 k( 299) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0025000 k( 300) = ( 0.0000000 0.3166667 0.5000000), wk = 0.0025000 k( 301) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0025000 k( 302) = ( 0.0000000 0.2833333 0.5000000), wk = 0.0025000 k( 303) = ( 0.0000000 0.2666667 0.5000000), wk = 0.0025000 k( 304) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0025000 k( 305) = ( 0.0000000 0.2333333 0.5000000), wk = 0.0025000 k( 306) = ( 0.0000000 0.2166667 0.5000000), wk = 0.0025000 k( 307) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0025000 k( 308) = ( 0.0000000 0.1833333 0.5000000), wk = 0.0025000 k( 309) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0025000 k( 310) = ( 0.0000000 0.1500000 0.5000000), wk = 0.0025000 k( 311) = ( 0.0000000 0.1333333 0.5000000), wk = 0.0025000 k( 312) = ( 0.0000000 0.1166667 0.5000000), wk = 0.0025000 k( 313) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0025000 k( 314) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0025000 k( 315) = ( 0.0000000 0.0666667 0.5000000), wk = 0.0025000 k( 316) = ( 0.0000000 0.0500000 0.5000000), wk = 0.0025000 k( 317) = ( 0.0000000 0.0333333 0.5000000), wk = 0.0025000 k( 318) = ( 0.0000000 0.0166667 0.5000000), wk = 0.0025000 k( 319) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 320) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025000 k( 321) = ( 0.0000000 0.5000000 0.0192308), wk = 0.0025000 k( 322) = ( 0.0000000 0.5000000 0.0384615), wk = 0.0025000 k( 323) = ( 0.0000000 0.5000000 0.0576923), wk = 0.0025000 k( 324) = ( 0.0000000 0.5000000 0.0769231), wk = 0.0025000 k( 325) = ( 0.0000000 0.5000000 0.0961538), wk = 0.0025000 k( 326) = ( 0.0000000 0.5000000 0.1153846), wk = 0.0025000 k( 327) = ( 0.0000000 0.5000000 0.1346154), wk = 0.0025000 k( 328) = ( 0.0000000 0.5000000 0.1538461), wk = 0.0025000 k( 329) = ( 0.0000000 0.5000000 0.1730769), wk = 0.0025000 k( 330) = ( 0.0000000 0.5000000 0.1923077), wk = 0.0025000 k( 331) = ( 0.0000000 0.5000000 0.2115385), wk = 0.0025000 k( 332) = ( 0.0000000 0.5000000 0.2307692), wk = 0.0025000 k( 333) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0025000 k( 334) = ( 0.0000000 0.5000000 0.2692308), wk = 0.0025000 k( 335) = ( 0.0000000 0.5000000 0.2884615), wk = 0.0025000 k( 336) = ( 0.0000000 0.5000000 0.3076923), wk = 0.0025000 k( 337) = ( 0.0000000 0.5000000 0.3269231), wk = 0.0025000 k( 338) = ( 0.0000000 0.5000000 0.3461538), wk = 0.0025000 k( 339) = ( 0.0000000 0.5000000 0.3653846), wk = 0.0025000 k( 340) = ( 0.0000000 0.5000000 0.3846154), wk = 0.0025000 k( 341) = ( 0.0000000 0.5000000 0.4038462), wk = 0.0025000 k( 342) = ( 0.0000000 0.5000000 0.4230769), wk = 0.0025000 k( 343) = ( 0.0000000 0.5000000 0.4423077), wk = 0.0025000 k( 344) = ( 0.0000000 0.5000000 0.4615385), wk = 0.0025000 k( 345) = ( 0.0000000 0.5000000 0.4807692), wk = 0.0025000 k( 346) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025000 k( 347) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025000 k( 348) = ( 0.5000000 0.0000000 0.4807692), wk = 0.0025000 k( 349) = ( 0.5000000 0.0000000 0.4615385), wk = 0.0025000 k( 350) = ( 0.5000000 0.0000000 0.4423077), wk = 0.0025000 k( 351) = ( 0.5000000 0.0000000 0.4230769), wk = 0.0025000 k( 352) = ( 0.5000000 0.0000000 0.4038462), wk = 0.0025000 k( 353) = ( 0.5000000 0.0000000 0.3846154), wk = 0.0025000 k( 354) = ( 0.5000000 0.0000000 0.3653846), wk = 0.0025000 k( 355) = ( 0.5000000 0.0000000 0.3461538), wk = 0.0025000 k( 356) = ( 0.5000000 0.0000000 0.3269231), wk = 0.0025000 k( 357) = ( 0.5000000 0.0000000 0.3076923), wk = 0.0025000 k( 358) = ( 0.5000000 0.0000000 0.2884615), wk = 0.0025000 k( 359) = ( 0.5000000 0.0000000 0.2692308), wk = 0.0025000 k( 360) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0025000 k( 361) = ( 0.5000000 0.0000000 0.2307692), wk = 0.0025000 k( 362) = ( 0.5000000 0.0000000 0.2115385), wk = 0.0025000 k( 363) = ( 0.5000000 0.0000000 0.1923077), wk = 0.0025000 k( 364) = ( 0.5000000 0.0000000 0.1730769), wk = 0.0025000 k( 365) = ( 0.5000000 0.0000000 0.1538461), wk = 0.0025000 k( 366) = ( 0.5000000 0.0000000 0.1346154), wk = 0.0025000 k( 367) = ( 0.5000000 0.0000000 0.1153846), wk = 0.0025000 k( 368) = ( 0.5000000 0.0000000 0.0961538), wk = 0.0025000 k( 369) = ( 0.5000000 0.0000000 0.0769231), wk = 0.0025000 k( 370) = ( 0.5000000 0.0000000 0.0576923), wk = 0.0025000 k( 371) = ( 0.5000000 0.0000000 0.0384615), wk = 0.0025000 k( 372) = ( 0.5000000 0.0000000 0.0192308), wk = 0.0025000 k( 373) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0025000 k( 374) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025000 k( 375) = ( 0.5000000 0.5000000 0.0192308), wk = 0.0025000 k( 376) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0025000 k( 377) = ( 0.5000000 0.5000000 0.0576923), wk = 0.0025000 k( 378) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0025000 k( 379) = ( 0.5000000 0.5000000 0.0961538), wk = 0.0025000 k( 380) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0025000 k( 381) = ( 0.5000000 0.5000000 0.1346154), wk = 0.0025000 k( 382) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0025000 k( 383) = ( 0.5000000 0.5000000 0.1730769), wk = 0.0025000 k( 384) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0025000 k( 385) = ( 0.5000000 0.5000000 0.2115385), wk = 0.0025000 k( 386) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0025000 k( 387) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0025000 k( 388) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0025000 k( 389) = ( 0.5000000 0.5000000 0.2884615), wk = 0.0025000 k( 390) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0025000 k( 391) = ( 0.5000000 0.5000000 0.3269231), wk = 0.0025000 k( 392) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0025000 k( 393) = ( 0.5000000 0.5000000 0.3653846), wk = 0.0025000 k( 394) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0025000 k( 395) = ( 0.5000000 0.5000000 0.4038462), wk = 0.0025000 k( 396) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0025000 k( 397) = ( 0.5000000 0.5000000 0.4423077), wk = 0.0025000 k( 398) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0025000 k( 399) = ( 0.5000000 0.5000000 0.4807692), wk = 0.0025000 k( 400) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025000 Dense grid: 53481 G-vectors FFT dimensions: ( 36, 50, 60) Smooth grid: 36319 G-vectors FFT dimensions: ( 32, 45, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 298, 48) NL pseudopotentials 0.46 Mb ( 149, 204) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 1673) G-vector shells 0.01 Mb ( 831) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.87 Mb ( 298, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.30 Mb ( 204, 2, 48) The potential is recalculated from file : ./FeTe2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.0 secs Computing kpt #: 2 total cpu time spent up to now is 6.7 secs Computing kpt #: 3 total cpu time spent up to now is 8.5 secs Computing kpt #: 4 total cpu time spent up to now is 9.9 secs Computing kpt #: 5 total cpu time spent up to now is 11.1 secs Computing kpt #: 6 total cpu time spent up to now is 12.4 secs Computing kpt #: 7 total cpu time spent up to now is 13.6 secs Computing kpt #: 8 total cpu time spent up to now is 14.7 secs Computing kpt #: 9 total cpu time spent up to now is 15.8 secs Computing kpt #: 10 total cpu time spent up to now is 17.1 secs Computing kpt #: 11 total cpu time spent up to now is 18.4 secs Computing kpt #: 12 total cpu time spent up to now is 19.7 secs Computing kpt #: 13 total cpu time spent up to now is 20.9 secs Computing kpt #: 14 total cpu time spent up to now is 22.6 secs Computing kpt #: 15 total cpu time spent up to now is 25.2 secs Computing kpt #: 16 total cpu time spent up to now is 28.0 secs Computing kpt #: 17 total cpu time spent up to now is 29.6 secs Computing kpt #: 18 total cpu time spent up to now is 31.1 secs Computing kpt #: 19 total cpu time spent up to now is 32.6 secs Computing kpt #: 20 total cpu time spent up to now is 34.2 secs Computing kpt #: 21 total cpu time spent up to now is 35.6 secs Computing kpt #: 22 total cpu time spent up to now is 37.0 secs Computing kpt #: 23 total cpu time spent up to now is 38.3 secs Computing kpt #: 24 total cpu time spent up to now is 39.6 secs Computing kpt #: 25 total cpu time spent up to now is 40.9 secs Computing kpt #: 26 total cpu time spent up to now is 42.2 secs Computing kpt #: 27 total cpu time spent up to now is 43.6 secs Computing kpt #: 28 total cpu time spent up to now is 44.9 secs Computing kpt #: 29 total cpu time spent up to now is 46.2 secs Computing kpt #: 30 total cpu time spent up to now is 47.5 secs Computing kpt #: 31 total cpu time spent up to now is 48.8 secs Computing kpt #: 32 total cpu time spent up to now is 50.2 secs Computing kpt #: 33 total cpu time spent up to now is 51.4 secs Computing kpt #: 34 total cpu time spent up to now is 52.7 secs Computing kpt #: 35 total cpu time spent up to now is 53.9 secs Computing kpt #: 36 total cpu time spent up to now is 55.2 secs Computing kpt #: 37 total cpu time spent up to now is 56.4 secs Computing kpt #: 38 total cpu time spent up to now is 57.7 secs Computing kpt #: 39 total cpu time spent up to now is 58.9 secs Computing kpt #: 40 total cpu time spent up to now is 60.1 secs Computing kpt #: 41 total cpu time spent up to now is 61.3 secs Computing kpt #: 42 total cpu time spent up to now is 62.4 secs Computing kpt #: 43 total cpu time spent up to now is 63.5 secs Computing kpt #: 44 total cpu time spent up to now is 64.6 secs Computing kpt #: 45 total cpu time spent up to now is 65.7 secs Computing kpt #: 46 total cpu time spent up to now is 66.8 secs Computing kpt #: 47 total cpu time spent up to now is 67.9 secs Computing kpt #: 48 total cpu time spent up to now is 69.0 secs Computing kpt #: 49 total cpu time spent up to now is 70.1 secs Computing kpt #: 50 total cpu time spent up to now is 71.1 secs Computing kpt #: 51 total cpu time spent up to now is 72.1 secs Computing kpt #: 52 total cpu time spent up to now is 73.1 secs Computing kpt #: 53 total cpu time spent up to now is 74.1 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spent up to now is 90.1 secs Computing kpt #: 70 total cpu time spent up to now is 91.2 secs Computing kpt #: 71 total cpu time spent up to now is 92.2 secs Computing kpt #: 72 total cpu time spent up to now is 93.1 secs Computing kpt #: 73 total cpu time spent up to now is 94.1 secs Computing kpt #: 74 total cpu time spent up to now is 95.1 secs Computing kpt #: 75 total cpu time spent up to now is 96.2 secs Computing kpt #: 76 total cpu time spent up to now is 97.2 secs Computing kpt #: 77 total cpu time spent up to now is 98.1 secs Computing kpt #: 78 total cpu time spent up to now is 99.2 secs Computing kpt #: 79 total cpu time spent up to now is 100.2 secs Computing kpt #: 80 total cpu time spent up to now is 101.3 secs Computing kpt #: 81 total cpu time spent up to now is 102.3 secs Computing kpt #: 82 total cpu time spent up to now is 103.3 secs Computing kpt #: 83 total cpu time spent up to now is 104.3 secs Computing kpt #: 84 total cpu time spent up to now is 105.4 secs Computing kpt #: 85 total cpu time spent up to now is 106.4 secs Computing kpt #: 86 total cpu time spent up to now is 107.4 secs Computing kpt #: 87 total cpu time spent up to now is 108.5 secs Computing kpt #: 88 total cpu time spent up to now is 109.6 secs Computing kpt #: 89 total cpu time spent up to now is 110.6 secs Computing kpt #: 90 total cpu time spent up to now is 111.7 secs Computing kpt #: 91 total cpu time spent up to now is 112.7 secs Computing kpt #: 92 total cpu time spent up to now is 113.8 secs Computing kpt #: 93 total cpu time spent up to now is 114.9 secs Computing kpt #: 94 total cpu time spent up to now is 115.9 secs Computing kpt #: 95 total cpu time spent up to now is 117.0 secs Computing kpt #: 96 total cpu time spent up to now is 118.1 secs Computing kpt #: 97 total cpu time spent up to now is 119.1 secs Computing kpt #: 98 total cpu time spent up to now is 120.2 secs Computing kpt #: 99 total cpu time spent up to now is 121.3 secs Computing kpt #: 100 total cpu time spent up to now is 122.5 secs Computing kpt #: 101 total cpu time spent up to now is 123.6 secs Computing kpt #: 102 total cpu time spent up to now is 124.7 secs Computing kpt #: 103 total cpu time spent up to now is 125.8 secs Computing kpt #: 104 total cpu time spent up to now is 126.9 secs Computing kpt #: 105 total cpu time spent up to now is 128.1 secs Computing kpt #: 106 total cpu time spent up to now is 129.3 secs Computing kpt #: 107 total cpu time spent up to now is 130.5 secs Computing kpt #: 108 total cpu time spent up to now is 131.7 secs Computing kpt #: 109 total cpu time spent up to now is 132.9 secs Computing kpt #: 110 total cpu time spent up to now is 134.1 secs Computing kpt #: 111 total cpu time spent up to now is 135.4 secs Computing kpt #: 112 total cpu time spent up to now is 136.7 secs Computing kpt #: 113 total cpu time spent up to now is 137.9 secs Computing kpt #: 114 total cpu time spent up to now is 139.2 secs Computing kpt #: 115 total cpu 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up to now is 160.1 secs Computing kpt #: 131 total cpu time spent up to now is 161.6 secs Computing kpt #: 132 total cpu time spent up to now is 163.0 secs Computing kpt #: 133 total cpu time spent up to now is 165.2 secs Computing kpt #: 134 total cpu time spent up to now is 166.6 secs Computing kpt #: 135 total cpu time spent up to now is 168.0 secs Computing kpt #: 136 total cpu time spent up to now is 169.3 secs Computing kpt #: 137 total cpu time spent up to now is 170.6 secs Computing kpt #: 138 total cpu time spent up to now is 171.8 secs Computing kpt #: 139 total cpu time spent up to now is 173.0 secs Computing kpt #: 140 total cpu time spent up to now is 174.2 secs Computing kpt #: 141 total cpu time spent up to now is 175.6 secs Computing kpt #: 142 total cpu time spent up to now is 177.0 secs Computing kpt #: 143 total cpu time spent up to now is 178.5 secs Computing kpt #: 144 total cpu time spent up to now is 180.1 secs Computing kpt #: 145 total cpu time spent up to now is 182.0 secs Computing kpt #: 146 total cpu time spent up to now is 183.9 secs Computing kpt #: 147 total cpu time spent up to now is 185.7 secs Computing kpt #: 148 total cpu time spent up to now is 187.9 secs Computing kpt #: 149 total cpu time spent up to now is 189.8 secs Computing kpt #: 150 total cpu time spent up to now is 191.7 secs Computing kpt #: 151 total cpu time spent up to now is 193.3 secs Computing kpt #: 152 total cpu time spent up to now is 194.8 secs Computing kpt #: 153 total cpu time spent up to now is 196.2 secs Computing kpt #: 154 total cpu time spent up to now is 197.6 secs Computing kpt #: 155 total cpu time spent up to now is 199.0 secs Computing kpt #: 156 total cpu time spent up to now is 200.3 secs Computing kpt #: 157 total cpu time spent up to now is 201.6 secs Computing kpt #: 158 total cpu time spent up to now is 202.8 secs Computing kpt #: 159 total cpu time spent up to now is 204.1 secs Computing kpt #: 160 total cpu time spent up to now is 205.4 secs Computing kpt #: 161 total cpu time spent up to now is 206.6 secs Computing kpt #: 162 total cpu time spent up to now is 207.8 secs Computing kpt #: 163 total cpu time spent up to now is 209.0 secs Computing kpt #: 164 total cpu time spent up to now is 210.3 secs Computing kpt #: 165 total cpu time spent up to now is 211.5 secs Computing kpt #: 166 total cpu time spent up to now is 212.7 secs Computing kpt #: 167 total cpu time spent up to now is 213.8 secs Computing kpt #: 168 total cpu time spent up to now is 215.0 secs Computing kpt #: 169 total cpu time spent up to now is 216.2 secs Computing kpt #: 170 total cpu time spent up to now is 217.4 secs Computing kpt #: 171 total cpu time spent up to now is 218.5 secs Computing kpt #: 172 total cpu time spent up to now is 219.7 secs Computing kpt #: 173 total cpu time spent up to now is 220.8 secs Computing kpt #: 174 total cpu time spent up to now is 221.9 secs Computing kpt #: 175 total cpu time spent up to now is 223.0 secs Computing kpt #: 176 total cpu time spent up to now is 224.2 secs Computing kpt #: 177 total cpu time spent up to now is 225.4 secs Computing kpt #: 178 total cpu time spent up to now is 226.6 secs Computing kpt #: 179 total cpu time spent up to now is 227.8 secs Computing kpt #: 180 total cpu time spent up to now is 229.1 secs Computing kpt #: 181 total cpu time spent up to now is 230.4 secs Computing kpt #: 182 total cpu time spent up to now is 231.7 secs Computing kpt #: 183 total cpu time spent up to now is 233.1 secs Computing kpt #: 184 total cpu time spent up to now is 234.2 secs Computing kpt #: 185 total cpu time spent up to now is 235.4 secs Computing kpt #: 186 total cpu time spent up to now is 236.5 secs Computing kpt #: 187 total cpu time spent up to now is 237.6 secs Computing kpt #: 188 total cpu time spent up to now is 238.6 secs Computing kpt #: 189 total cpu time spent up to now is 239.8 secs Computing kpt #: 190 total cpu time spent up to now is 241.0 secs Computing kpt #: 191 total cpu time spent up to now is 242.2 secs Computing kpt #: 192 total cpu time spent up to now is 243.4 secs Computing kpt #: 193 total cpu time spent up to now is 244.7 secs Computing kpt #: 194 total cpu time spent up to now is 245.9 secs Computing kpt #: 195 total cpu time spent up to now is 247.2 secs Computing kpt #: 196 total cpu time spent up to now is 248.5 secs Computing kpt #: 197 total cpu time spent up to now is 249.8 secs Computing kpt #: 198 total cpu time spent up to now is 251.0 secs Computing kpt #: 199 total cpu time spent up to now is 252.2 secs Computing kpt #: 200 total cpu time spent up to now is 253.4 secs Computing kpt #: 201 total cpu time spent up to now is 254.6 secs Computing kpt #: 202 total cpu time spent up to now is 255.8 secs Computing kpt #: 203 total cpu time spent up to now is 256.9 secs Computing kpt #: 204 total cpu time spent up to now is 258.1 secs Computing kpt #: 205 total cpu time spent up to now is 259.2 secs Computing kpt #: 206 total cpu time spent up to now is 260.3 secs Computing kpt #: 207 total cpu time spent up to now is 261.4 secs Computing kpt #: 208 total cpu time spent up to now is 262.5 secs Computing kpt #: 209 total cpu time spent up to now is 263.6 secs Computing kpt #: 210 total cpu time spent up to now is 264.7 secs Computing kpt #: 211 total cpu time spent up to now is 265.8 secs Computing kpt #: 212 total cpu time spent up to now is 266.9 secs Computing kpt #: 213 total cpu time spent up to now is 268.0 secs Computing kpt #: 214 total cpu time spent up to now is 269.0 secs Computing kpt #: 215 total cpu time spent up to now is 270.1 secs Computing kpt #: 216 total cpu time spent up to now is 271.2 secs Computing kpt #: 217 total cpu time spent up to now is 272.3 secs Computing kpt #: 218 total cpu time spent up to now is 273.3 secs Computing kpt #: 219 total cpu time spent up to now is 274.4 secs Computing kpt #: 220 total cpu time spent up to now is 275.5 secs Computing kpt #: 221 total cpu time spent up to now is 276.6 secs Computing kpt #: 222 total cpu time spent up to now is 277.7 secs Computing kpt #: 223 total cpu time spent up to now is 278.8 secs Computing kpt #: 224 total cpu time spent up to now is 280.0 secs Computing kpt #: 225 total cpu time spent up to now is 281.1 secs Computing kpt #: 226 total cpu time spent up to now is 282.3 secs Computing kpt #: 227 total cpu time spent up to now is 283.5 secs Computing kpt #: 228 total cpu time spent up to now is 284.8 secs Computing kpt #: 229 total cpu time spent up to now is 286.0 secs Computing kpt #: 230 total cpu time spent up to now is 287.3 secs Computing kpt #: 231 total cpu time spent up to now is 288.5 secs Computing kpt #: 232 total cpu time spent up to now is 289.7 secs Computing kpt #: 233 total cpu time spent up to now is 290.9 secs Computing kpt #: 234 total cpu time spent up to now is 292.0 secs Computing kpt #: 235 total cpu time spent up to now is 293.1 secs Computing kpt #: 236 total cpu time spent up to now is 294.1 secs Computing kpt #: 237 total cpu time spent up to now is 295.3 secs Computing kpt #: 238 total cpu time spent up to now is 296.3 secs Computing kpt #: 239 total cpu time spent up to now is 297.4 secs Computing kpt #: 240 total cpu time spent up to now is 298.5 secs Computing kpt #: 241 total cpu time spent up to now is 299.6 secs Computing kpt #: 242 total cpu time spent up to now is 300.8 secs Computing kpt #: 243 total cpu time spent up to now is 302.0 secs Computing kpt #: 244 total cpu time spent up to now is 303.2 secs Computing kpt #: 245 total cpu time spent up to now is 304.4 secs Computing kpt #: 246 total cpu time spent up to now is 305.6 secs Computing kpt #: 247 total cpu time spent up to now is 306.9 secs Computing kpt #: 248 total cpu time spent up to now is 308.1 secs Computing kpt #: 249 total cpu time spent up to now is 309.2 secs Computing kpt #: 250 total cpu time spent up to now is 310.4 secs Computing kpt #: 251 total cpu time spent up to now is 311.6 secs Computing kpt #: 252 total cpu time spent up to now is 312.9 secs Computing kpt #: 253 total cpu time spent up to now is 314.1 secs Computing kpt #: 254 total cpu time spent up to now is 315.3 secs Computing kpt #: 255 total cpu time spent up to now is 316.6 secs Computing kpt #: 256 total cpu time spent up to now is 317.9 secs Computing kpt #: 257 total cpu time spent up to now is 319.1 secs Computing kpt #: 258 total cpu time spent up to now is 320.4 secs Computing kpt #: 259 total cpu time spent up to now is 322.1 secs Computing kpt #: 260 total cpu time spent up to now is 325.2 secs Computing kpt #: 261 total cpu time spent up to now is 326.9 secs Computing kpt #: 262 total cpu time spent up to now is 328.1 secs Computing kpt #: 263 total cpu time spent up to now is 329.4 secs Computing kpt #: 264 total cpu time spent up to now is 330.6 secs Computing kpt #: 265 total cpu time spent up to now is 331.8 secs Computing kpt #: 266 total cpu time spent up to now is 333.0 secs Computing kpt #: 267 total cpu time spent up to now is 334.2 secs Computing kpt #: 268 total cpu time spent up to now is 335.4 secs Computing kpt #: 269 total cpu time spent up to now is 336.6 secs Computing kpt #: 270 total cpu time spent up to now is 337.7 secs Computing kpt #: 271 total cpu time spent up to now is 338.9 secs Computing kpt #: 272 total cpu time spent up to now is 340.1 secs Computing kpt #: 273 total cpu time spent up to now is 341.2 secs Computing kpt #: 274 total cpu time spent up to now is 342.4 secs Computing kpt #: 275 total cpu time spent up to now is 343.5 secs Computing kpt #: 276 total cpu time spent up to now is 344.7 secs Computing kpt #: 277 total cpu time spent up to now is 345.9 secs Computing kpt #: 278 total cpu time spent up to now is 347.0 secs Computing kpt #: 279 total cpu time spent up to now is 348.2 secs Computing kpt #: 280 total cpu time spent up to now is 349.4 secs Computing kpt #: 281 total cpu time spent up to now is 350.6 secs Computing kpt #: 282 total cpu time spent up to now is 351.8 secs Computing kpt #: 283 total cpu time spent up to now is 353.0 secs Computing kpt #: 284 total cpu time spent up to now is 354.2 secs Computing kpt #: 285 total cpu time spent up to now is 355.4 secs Computing kpt #: 286 total cpu time spent up to now is 356.6 secs Computing kpt #: 287 total cpu time spent up to now is 357.8 secs Computing kpt #: 288 total cpu time spent up to now is 359.0 secs Computing kpt #: 289 total cpu time spent up to now is 360.1 secs Computing kpt #: 290 total cpu time spent up to now is 361.3 secs Computing kpt #: 291 total cpu time spent up to now is 362.5 secs Computing kpt #: 292 total cpu time spent up to now is 363.7 secs Computing kpt #: 293 total cpu time spent up to now is 364.8 secs Computing kpt #: 294 total cpu time spent up to now is 366.0 secs Computing kpt #: 295 total cpu time spent up to now is 367.2 secs Computing kpt #: 296 total cpu time spent up to now is 368.3 secs Computing kpt #: 297 total cpu time spent up to now is 369.5 secs Computing kpt #: 298 total cpu time spent up to now is 370.6 secs Computing kpt #: 299 total cpu time spent up to now is 371.6 secs Computing kpt #: 300 total cpu time spent up to now is 372.7 secs Computing kpt #: 301 total cpu time spent up to now is 373.8 secs Computing kpt #: 302 total cpu time spent up to now is 375.0 secs Computing kpt #: 303 total cpu time spent up to now is 376.1 secs Computing kpt #: 304 total cpu time spent up to now is 377.2 secs Computing kpt #: 305 total cpu time spent up to now is 378.4 secs Computing kpt #: 306 total cpu time spent up to now is 379.6 secs Computing kpt #: 307 total cpu time spent up to now is 380.8 secs Computing kpt #: 308 total cpu time spent up to now is 382.1 secs Computing kpt #: 309 total cpu time spent up to now is 383.3 secs Computing kpt #: 310 total cpu time spent up to now is 384.4 secs Computing kpt #: 311 total cpu time spent up to now is 385.7 secs Computing kpt #: 312 total cpu time spent up to now is 386.8 secs Computing kpt #: 313 total cpu time spent up to now is 388.0 secs Computing kpt #: 314 total cpu time spent up to now is 389.1 secs Computing kpt #: 315 total cpu time spent up to now is 390.3 secs Computing kpt #: 316 total cpu time spent up to now is 391.4 secs Computing kpt #: 317 total cpu time spent up to now is 392.5 secs Computing kpt #: 318 total cpu time spent up to now is 393.6 secs Computing kpt #: 319 total cpu time spent up to now is 394.8 secs Computing kpt #: 320 total cpu time spent up to now is 396.0 secs Computing kpt #: 321 total cpu time spent up to now is 397.2 secs Computing kpt #: 322 total cpu time spent up to now is 398.4 secs Computing kpt #: 323 total cpu time spent up to now is 399.6 secs Computing kpt #: 324 total cpu time spent up to now is 400.8 secs Computing kpt #: 325 total cpu time spent up to now is 402.1 secs Computing kpt #: 326 total cpu time spent up to now is 403.3 secs Computing kpt #: 327 total cpu time spent up to now is 404.5 secs Computing kpt #: 328 total cpu time spent up to now is 405.8 secs Computing kpt #: 329 total cpu time spent up to now is 407.0 secs Computing kpt #: 330 total cpu time spent up to now is 408.2 secs Computing kpt #: 331 total cpu time spent up to now is 409.4 secs Computing kpt #: 332 total cpu time spent up to now is 410.6 secs Computing kpt #: 333 total cpu time spent up to now is 411.7 secs Computing kpt #: 334 total cpu time spent up to now is 412.8 secs Computing kpt #: 335 total cpu time spent up to now is 414.0 secs Computing kpt #: 336 total cpu time spent up to now is 415.2 secs Computing kpt #: 337 total cpu time spent up to now is 416.3 secs Computing kpt #: 338 total cpu time spent up to now is 417.6 secs Computing kpt #: 339 total cpu time spent up to now is 418.7 secs Computing kpt #: 340 total cpu time spent up to now is 419.9 secs Computing kpt #: 341 total cpu time spent up to now is 421.1 secs Computing kpt #: 342 total cpu time spent up to now is 422.3 secs Computing kpt #: 343 total cpu time spent up to now is 423.5 secs Computing kpt #: 344 total cpu time spent up to now is 424.7 secs Computing kpt #: 345 total cpu time spent up to now is 425.9 secs Computing kpt #: 346 total cpu time spent up to now is 427.1 secs Computing kpt #: 347 total cpu time spent up to now is 428.1 secs Computing kpt #: 348 total cpu time spent up to now is 429.2 secs Computing kpt #: 349 total cpu time spent up to now is 430.2 secs Computing kpt #: 350 total cpu time spent up to now is 431.3 secs Computing kpt #: 351 total cpu time spent up to now is 432.4 secs Computing kpt #: 352 total cpu time spent up to now is 433.4 secs Computing kpt #: 353 total cpu time spent up to now is 434.5 secs Computing kpt #: 354 total cpu time spent up to now is 435.6 secs Computing kpt #: 355 total cpu time spent up to now is 436.8 secs Computing kpt #: 356 total cpu time spent up to now is 437.9 secs Computing kpt #: 357 total cpu time spent up to now is 439.1 secs Computing kpt #: 358 total cpu time spent up to now is 440.3 secs Computing kpt #: 359 total cpu time spent up to now is 441.5 secs Computing kpt #: 360 total cpu time spent up to now is 442.7 secs Computing kpt #: 361 total cpu time spent up to now is 443.9 secs Computing kpt #: 362 total cpu time spent up to now is 445.1 secs Computing kpt #: 363 total cpu time spent up to now is 446.4 secs Computing kpt #: 364 total cpu time spent up to now is 447.6 secs Computing kpt #: 365 total cpu time spent up to now is 448.9 secs Computing kpt #: 366 total cpu time spent up to now is 450.2 secs Computing kpt #: 367 total cpu time spent up to now is 451.4 secs Computing kpt #: 368 total cpu time spent up to now is 452.6 secs Computing kpt #: 369 total cpu time spent up to now is 453.9 secs Computing kpt #: 370 total cpu time spent up to now is 455.1 secs Computing kpt #: 371 total cpu time spent up to now is 456.3 secs Computing kpt #: 372 total cpu time spent up to now is 457.4 secs Computing kpt #: 373 total cpu time spent up to now is 458.5 secs Computing kpt #: 374 total cpu time spent up to now is 459.5 secs Computing kpt #: 375 total cpu time spent up to now is 460.5 secs Computing kpt #: 376 total cpu time spent up to now is 461.4 secs Computing kpt #: 377 total cpu time spent up to now is 462.5 secs Computing kpt #: 378 total cpu time spent up to now is 463.5 secs Computing kpt #: 379 total cpu time spent up to now is 464.5 secs Computing kpt #: 380 total cpu time spent up to now is 465.5 secs Computing kpt #: 381 total cpu time spent up to now is 466.5 secs Computing kpt #: 382 total cpu time spent up to now is 467.5 secs Computing kpt #: 383 total cpu time spent up to now is 468.6 secs Computing kpt #: 384 total cpu time spent up to now is 469.6 secs Computing kpt #: 385 total cpu time spent up to now is 470.6 secs Computing kpt #: 386 total cpu time spent up to now is 471.6 secs Computing kpt #: 387 total cpu time spent up to now is 472.6 secs Computing kpt #: 388 total cpu time spent up to now is 473.6 secs Computing kpt #: 389 total cpu time spent up to now is 474.6 secs Computing kpt #: 390 total cpu time spent up to now is 475.6 secs Computing kpt #: 391 total cpu time spent up to now is 476.6 secs Computing kpt #: 392 total cpu time spent up to now is 477.7 secs Computing kpt #: 393 total cpu time spent up to now is 478.7 secs Computing kpt #: 394 total cpu time spent up to now is 479.8 secs Computing kpt #: 395 total cpu time spent up to now is 480.8 secs Computing kpt #: 396 total cpu time spent up to now is 482.0 secs Computing kpt #: 397 total cpu time spent up to now is 483.1 secs Computing kpt #: 398 total cpu time spent up to now is 484.4 secs Computing kpt #: 399 total cpu time spent up to now is 485.6 secs Computing kpt #: 400 total cpu time spent up to now is 486.8 secs ethr = 2.50E-11, avg # of iterations = 34.4 total cpu time spent up to now is 486.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4511 PWs) bands (ev): -4.4281 -4.4281 -1.9317 -1.9317 -1.4052 -1.4052 -0.7583 -0.7583 3.0872 3.0872 4.3557 4.3557 5.5445 5.5445 5.7106 5.7106 6.4927 6.4927 6.8166 6.8166 6.9760 6.9760 7.1305 7.1305 7.2335 7.2335 8.4724 8.4724 8.7265 8.7265 8.8041 8.8041 8.8393 8.8393 8.8930 8.8930 9.2883 9.2883 9.5612 9.5612 10.3046 10.3046 11.1863 11.1863 12.1095 12.1095 12.5003 12.5003 k = 0.0122-0.0000-0.0000 ( 4511 PWs) bands (ev): -4.4269 -4.4269 -1.9316 -1.9316 -1.4045 -1.4045 -0.7579 -0.7579 3.0885 3.0885 4.3557 4.3557 5.5435 5.5435 5.7112 5.7112 6.4872 6.4872 6.8147 6.8147 6.9747 6.9747 7.1311 7.1311 7.2335 7.2335 8.4767 8.4767 8.7243 8.7243 8.8019 8.8019 8.8344 8.8344 8.8899 8.8899 9.2892 9.2892 9.5642 9.5642 10.3055 10.3055 11.1807 11.1807 12.1110 12.1110 12.4876 12.4876 k = 0.0244-0.0000-0.0000 ( 4513 PWs) bands (ev): -4.4233 -4.4233 -1.9314 -1.9314 -1.4023 -1.4023 -0.7568 -0.7568 3.0926 3.0926 4.3559 4.3559 5.5404 5.5404 5.7129 5.7129 6.4709 6.4709 6.8091 6.8091 6.9710 6.9710 7.1330 7.1330 7.2338 7.2338 8.4892 8.4892 8.7173 8.7173 8.7907 8.7907 8.8222 8.8222 8.8830 8.8830 9.2918 9.2918 9.5725 9.5725 10.3084 10.3084 11.1646 11.1646 12.1152 12.1152 12.4516 12.4516 k = 0.0366-0.0000-0.0000 ( 4515 PWs) bands (ev): -4.4174 -4.4174 -1.9311 -1.9311 -1.3987 -1.3987 -0.7550 -0.7550 3.0994 3.0994 4.3561 4.3561 5.5352 5.5352 5.7156 5.7156 6.4439 6.4439 6.8001 6.8001 6.9657 6.9657 7.1357 7.1357 7.2346 7.2346 8.5086 8.5086 8.7047 8.7047 8.7598 8.7598 8.8134 8.8134 8.8759 8.8759 9.2961 9.2961 9.5847 9.5847 10.3130 10.3130 11.1390 11.1390 12.1207 12.1207 12.3959 12.3959 k = 0.0488-0.0000-0.0000 ( 4523 PWs) bands (ev): -4.4091 -4.4091 -1.9306 -1.9306 -1.3936 -1.3936 -0.7524 -0.7524 3.1089 3.1089 4.3563 4.3563 5.5281 5.5281 5.7193 5.7193 6.4068 6.4068 6.7881 6.7881 6.9598 6.9598 7.1384 7.1384 7.2362 7.2362 8.5332 8.5332 8.6794 8.6794 8.7180 8.7180 8.8082 8.8082 8.8692 8.8692 9.3020 9.3020 9.5988 9.5988 10.3195 10.3195 11.1059 11.1059 12.1256 12.1256 12.3243 12.3243 k = 0.0610-0.0000-0.0000 ( 4531 PWs) bands (ev): -4.3985 -4.3985 -1.9302 -1.9302 -1.3871 -1.3871 -0.7491 -0.7491 3.1212 3.1212 4.3562 4.3562 5.5190 5.5190 5.7239 5.7239 6.3607 6.3607 6.7737 6.7737 6.9538 6.9538 7.1400 7.1400 7.2393 7.2393 8.5594 8.5594 8.6259 8.6259 8.6888 8.6888 8.8037 8.8037 8.8625 8.8625 9.3094 9.3094 9.6130 9.6130 10.3276 10.3276 11.0671 11.0671 12.1256 12.1256 12.2426 12.2426 k = 0.0732-0.0000-0.0000 ( 4543 PWs) bands (ev): -4.3855 -4.3855 -1.9298 -1.9298 -1.3792 -1.3792 -0.7451 -0.7451 3.1361 3.1361 4.3556 4.3556 5.5079 5.5079 5.7293 5.7293 6.3071 6.3071 6.7575 6.7575 6.9482 6.9482 7.1394 7.1394 7.2448 7.2448 8.5423 8.5423 8.5965 8.5965 8.6667 8.6667 8.7989 8.7989 8.8553 8.8553 9.3181 9.3181 9.6261 9.6261 10.3374 10.3374 11.0246 11.0246 12.1002 12.1002 12.1728 12.1728 k = 0.0854-0.0000-0.0000 ( 4553 PWs) bands (ev): -4.3702 -4.3702 -1.9294 -1.9294 -1.3699 -1.3699 -0.7405 -0.7405 3.1536 3.1536 4.3544 4.3544 5.4950 5.4950 5.7353 5.7353 6.2479 6.2479 6.7396 6.7396 6.9428 6.9428 7.1354 7.1354 7.2532 7.2532 8.4602 8.4602 8.6160 8.6160 8.6500 8.6500 8.7936 8.7936 8.8477 8.8477 9.3278 9.3278 9.6372 9.6372 10.3487 10.3487 10.9800 10.9800 12.0154 12.0154 12.1512 12.1512 k = 0.0976-0.0000-0.0000 ( 4553 PWs) bands (ev): -4.3526 -4.3526 -1.9292 -1.9292 -1.3593 -1.3593 -0.7352 -0.7352 3.1738 3.1738 4.3521 4.3521 5.4802 5.4802 5.7419 5.7419 6.1854 6.1854 6.7202 6.7202 6.9378 6.9378 7.1270 7.1270 7.2648 7.2648 8.3691 8.3691 8.6069 8.6069 8.6608 8.6608 8.7881 8.7881 8.8397 8.8397 9.3384 9.3384 9.6455 9.6455 10.3613 10.3613 10.9348 10.9348 11.9084 11.9084 12.1421 12.1421 k = 0.1098-0.0000-0.0000 ( 4558 PWs) bands (ev): -4.3327 -4.3327 -1.9293 -1.9293 -1.3473 -1.3473 -0.7294 -0.7294 3.1967 3.1967 4.3485 4.3485 5.4635 5.4635 5.7487 5.7487 6.1217 6.1217 6.6992 6.6992 6.9328 6.9328 7.1138 7.1138 7.2792 7.2792 8.2735 8.2735 8.5820 8.5820 8.6824 8.6824 8.7835 8.7835 8.8315 8.8315 9.3493 9.3493 9.6509 9.6509 10.3751 10.3751 10.8902 10.8902 11.7954 11.7954 12.1314 12.1314 k = 0.1220-0.0000-0.0000 ( 4560 PWs) bands (ev): -4.3105 -4.3105 -1.9297 -1.9297 -1.3340 -1.3340 -0.7230 -0.7230 3.2221 3.2221 4.3430 4.3430 5.4452 5.4452 5.7556 5.7556 6.0588 6.0588 6.6763 6.6763 6.9279 6.9279 7.0953 7.0953 7.2961 7.2961 8.1756 8.1756 8.5542 8.5542 8.6989 8.6989 8.7816 8.7816 8.8233 8.8233 9.3602 9.3602 9.6530 9.6530 10.3898 10.3898 10.8471 10.8471 11.6800 11.6800 12.1170 12.1170 k = 0.1341-0.0000-0.0000 ( 4556 PWs) bands (ev): -4.2861 -4.2861 -1.9307 -1.9307 -1.3194 -1.3194 -0.7161 -0.7161 3.2500 3.2500 4.3353 4.3353 5.4254 5.4254 5.7624 5.7624 5.9988 5.9988 6.6511 6.6511 6.9228 6.9228 7.0709 7.0709 7.3151 7.3151 8.0774 8.0774 8.5257 8.5257 8.7053 8.7053 8.7848 8.7848 8.8160 8.8160 9.3708 9.3708 9.6520 9.6520 10.4052 10.4052 10.8062 10.8062 11.5644 11.5644 12.0984 12.0984 k = 0.1463-0.0000-0.0000 ( 4556 PWs) bands (ev): -4.2594 -4.2594 -1.9322 -1.9322 -1.3037 -1.3037 -0.7088 -0.7088 3.2805 3.2805 4.3249 4.3249 5.4044 5.4044 5.7682 5.7682 5.9433 5.9433 6.6234 6.6234 6.9172 6.9172 7.0404 7.0404 7.3356 7.3356 7.9806 7.9806 8.4971 8.4971 8.7012 8.7012 8.7904 8.7904 8.8126 8.8126 9.3805 9.3805 9.6478 9.6478 10.4210 10.4210 10.7680 10.7680 11.4499 11.4499 12.0754 12.0754 k = 0.1585-0.0000-0.0000 ( 4556 PWs) bands (ev): -4.2306 -4.2306 -1.9345 -1.9345 -1.2867 -1.2867 -0.7011 -0.7011 3.3134 3.3134 4.3114 4.3114 5.3827 5.3827 5.7720 5.7720 5.8948 5.8948 6.5927 6.5927 6.9099 6.9099 7.0038 7.0038 7.3574 7.3574 7.8874 7.8874 8.4691 8.4691 8.6896 8.6896 8.7889 8.7889 8.8193 8.8193 9.3892 9.3892 9.6405 9.6405 10.4372 10.4372 10.7328 10.7328 11.3378 11.3378 12.0478 12.0478 k = 0.1707-0.0000-0.0000 ( 4554 PWs) bands (ev): -4.1995 -4.1995 -1.9377 -1.9377 -1.2687 -1.2687 -0.6931 -0.6931 3.3486 3.3486 4.2946 4.2946 5.3608 5.3608 5.7706 5.7706 5.8566 5.8566 6.5589 6.5589 6.8966 6.8966 6.9646 6.9646 7.3801 7.3801 7.7994 7.7994 8.4424 8.4424 8.6733 8.6733 8.7822 8.7822 8.8319 8.8319 9.3966 9.3966 9.6304 9.6304 10.4533 10.4533 10.7010 10.7010 11.2290 11.2290 12.0155 12.0155 k = 0.1829-0.0000-0.0000 ( 4550 PWs) bands (ev): -4.1664 -4.1664 -1.9419 -1.9419 -1.2496 -1.2496 -0.6848 -0.6848 3.3862 3.3862 4.2744 4.2744 5.3394 5.3394 5.7589 5.7589 5.8343 5.8343 6.5216 6.5216 6.8632 6.8632 6.9363 6.9363 7.4033 7.4033 7.7183 7.7183 8.4173 8.4173 8.6534 8.6534 8.7743 8.7743 8.8450 8.8450 9.4023 9.4023 9.6176 9.6176 10.4693 10.4693 10.6727 10.6727 11.1243 11.1243 11.9780 11.9780 k = 0.1951-0.0000-0.0000 ( 4554 PWs) bands (ev): -4.1312 -4.1312 -1.9474 -1.9474 -1.2295 -1.2295 -0.6763 -0.6763 3.4260 3.4260 4.2507 4.2507 5.3191 5.3191 5.7372 5.7372 5.8272 5.8272 6.4805 6.4805 6.8042 6.8042 6.9245 6.9245 7.4264 7.4264 7.6451 7.6451 8.3944 8.3944 8.6310 8.6310 8.7661 8.7661 8.8575 8.8575 9.4063 9.4063 9.6023 9.6023 10.4849 10.4849 10.6480 10.6480 11.0244 11.0244 11.9349 11.9349 k = 0.2073-0.0000-0.0000 ( 4552 PWs) bands (ev): -4.0939 -4.0939 -1.9542 -1.9542 -1.2084 -1.2084 -0.6677 -0.6677 3.4678 3.4678 4.2239 4.2239 5.3006 5.3006 5.7135 5.7135 5.8270 5.8270 6.4355 6.4355 6.7297 6.7297 6.9198 6.9198 7.4486 7.4486 7.5809 7.5809 8.3737 8.3737 8.6062 8.6062 8.7581 8.7581 8.8690 8.8690 9.4085 9.4085 9.5848 9.5848 10.4999 10.4999 10.6268 10.6268 10.9302 10.9302 11.8860 11.8860 k = 0.2195-0.0000-0.0000 ( 4548 PWs) bands (ev): -4.0546 -4.0546 -1.9625 -1.9625 -1.1864 -1.1864 -0.6591 -0.6591 3.5114 3.5114 4.1948 4.1948 5.2841 5.2841 5.6922 5.6922 5.8287 5.8287 6.3865 6.3865 6.6455 6.6455 6.9179 6.9179 7.4648 7.4648 7.5294 7.5294 8.3554 8.3554 8.5794 8.5794 8.7504 8.7504 8.8794 8.8794 9.4087 9.4087 9.5653 9.5653 10.5141 10.5141 10.6091 10.6091 10.8423 10.8423 11.8318 11.8318 k = 0.2317-0.0000-0.0000 ( 4552 PWs) bands (ev): -4.0134 -4.0134 -1.9726 -1.9726 -1.1637 -1.1637 -0.6506 -0.6506 3.5567 3.5567 4.1640 4.1640 5.2696 5.2696 5.6747 5.6747 5.8301 5.8301 6.3330 6.3330 6.5550 6.5550 6.9178 6.9178 7.4495 7.4495 7.5151 7.5151 8.3396 8.3396 8.5509 8.5509 8.7432 8.7432 8.8889 8.8889 9.4069 9.4069 9.5441 9.5441 10.5270 10.5270 10.5948 10.5948 10.7617 10.7617 11.7734 11.7734 k = 0.2439-0.0000-0.0000 ( 4538 PWs) bands (ev): -3.9703 -3.9703 -1.9845 -1.9845 -1.1403 -1.1403 -0.6422 -0.6422 3.6033 3.6033 4.1329 4.1329 5.2570 5.2570 5.6612 5.6612 5.8302 5.8302 6.2745 6.2745 6.4618 6.4618 6.9192 6.9192 7.4079 7.4079 7.5310 7.5310 8.3262 8.3262 8.5210 8.5210 8.7367 8.7367 8.8975 8.8975 9.4030 9.4030 9.5215 9.5215 10.5369 10.5369 10.5840 10.5840 10.6903 10.6903 11.7122 11.7122 k = 0.2561-0.0000-0.0000 ( 4554 PWs) bands (ev): -3.9254 -3.9254 -1.9985 -1.9985 -1.1162 -1.1162 -0.6340 -0.6340 3.6505 3.6505 4.1028 4.1028 5.2460 5.2460 5.6513 5.6513 5.8281 5.8281 6.2103 6.2103 6.3697 6.3697 6.9219 6.9219 7.3645 7.3645 7.5508 7.5508 8.3149 8.3149 8.4899 8.4899 8.7312 8.7312 8.9053 8.9053 9.3970 9.3970 9.4979 9.4979 10.5370 10.5370 10.5783 10.5783 10.6333 10.6333 11.6495 11.6495 k = 0.2683-0.0000-0.0000 ( 4558 PWs) bands (ev): -3.8787 -3.8787 -2.0147 -2.0147 -1.0915 -1.0915 -0.6262 -0.6262 3.6974 3.6974 4.0756 4.0756 5.2360 5.2360 5.6441 5.6441 5.8227 5.8227 6.1400 6.1400 6.2827 6.2827 6.9260 6.9260 7.3221 7.3221 7.5703 7.5703 8.3056 8.3056 8.4583 8.4583 8.7268 8.7268 8.9123 8.9123 9.3889 9.3889 9.4736 9.4736 10.5132 10.5132 10.5808 10.5808 10.6022 10.6022 11.5865 11.5865 k = 0.2805-0.0000-0.0000 ( 4544 PWs) bands (ev): -3.8303 -3.8303 -2.0331 -2.0331 -1.0665 -1.0665 -0.6188 -0.6188 3.7421 3.7421 4.0539 4.0539 5.2269 5.2269 5.6373 5.6373 5.8120 5.8120 6.0665 6.0665 6.2032 6.2032 6.9315 6.9315 7.2806 7.2806 7.5881 7.5881 8.2981 8.2981 8.4266 8.4266 8.7237 8.7237 8.9188 8.9188 9.3785 9.3785 9.4491 9.4491 10.4718 10.4718 10.5858 10.5858 10.5965 10.5965 11.5242 11.5242 k = 0.2927-0.0000-0.0000 ( 4544 PWs) bands (ev): -3.7803 -3.7803 -2.0540 -2.0540 -1.0410 -1.0410 -0.6120 -0.6120 3.7818 3.7818 4.0415 4.0415 5.2180 5.2180 5.6266 5.6266 5.7935 5.7935 5.9983 5.9983 6.1310 6.1310 6.9383 6.9383 7.2393 7.2393 7.6034 7.6034 8.2919 8.2919 8.3957 8.3957 8.7222 8.7222 8.9249 8.9249 9.3657 9.3657 9.4248 9.4248 10.4289 10.4289 10.5891 10.5891 10.6042 10.6042 11.4631 11.4631 k = 0.3049-0.0000-0.0000 ( 4544 PWs) bands (ev): -3.7287 -3.7287 -2.0774 -2.0774 -1.0153 -1.0153 -0.6058 -0.6058 3.8118 3.8118 4.0435 4.0435 5.2094 5.2094 5.6026 5.6026 5.7671 5.7671 5.9474 5.9474 6.0642 6.0642 6.9465 6.9465 7.1978 7.1978 7.6157 7.6157 8.2865 8.2865 8.3663 8.3663 8.7224 8.7224 8.9306 8.9306 9.3501 9.3501 9.4013 9.4013 10.3905 10.3905 10.5953 10.5953 10.6147 10.6147 11.4038 11.4038 k = 0.3171-0.0000-0.0000 ( 4538 PWs) bands (ev): -3.6757 -3.6757 -2.1034 -2.1034 -0.9895 -0.9895 -0.6003 -0.6003 3.8291 3.8291 4.0635 4.0635 5.2007 5.2007 5.5535 5.5535 5.7420 5.7420 5.9191 5.9191 6.0012 6.0012 6.9560 6.9560 7.1559 7.1559 7.6242 7.6242 8.2812 8.2812 8.3399 8.3399 8.7246 8.7246 8.9359 8.9359 9.3320 9.3320 9.3789 9.3789 10.3583 10.3583 10.6049 10.6049 10.6261 10.6261 11.3466 11.3466 k = 0.3293-0.0000-0.0000 ( 4536 PWs) bands (ev): -3.6213 -3.6213 -2.1321 -2.1321 -0.9636 -0.9636 -0.5956 -0.5956 3.8355 3.8355 4.1002 4.1002 5.1920 5.1920 5.4787 5.4787 5.7244 5.7244 5.9088 5.9088 5.9414 5.9414 6.9667 6.9667 7.1134 7.1134 7.6283 7.6283 8.2747 8.2747 8.3182 8.3182 8.7287 8.7287 8.9410 8.9410 9.3114 9.3114 9.3575 9.3575 10.3326 10.3326 10.6173 10.6173 10.6382 10.6382 11.2918 11.2918 k = 0.3415-0.0000-0.0000 ( 4538 PWs) bands (ev): -3.5657 -3.5657 -2.1635 -2.1635 -0.9378 -0.9378 -0.5919 -0.5919 3.8365 3.8365 4.1482 4.1482 5.1828 5.1828 5.3892 5.3892 5.7094 5.7094 5.8820 5.8820 5.9141 5.9141 6.9780 6.9780 7.0707 7.0707 7.6274 7.6274 8.2653 8.2653 8.3034 8.3034 8.7349 8.7349 8.9460 8.9460 9.2893 9.2893 9.3366 9.3366 10.3134 10.3134 10.6314 10.6314 10.6521 10.6521 11.2395 11.2395 k = 0.3537-0.0000-0.0000 ( 4546 PWs) bands (ev): -3.5089 -3.5089 -2.1976 -2.1976 -0.9121 -0.9121 -0.5891 -0.5891 3.8368 3.8368 4.2030 4.2030 5.1719 5.1719 5.2950 5.2950 5.6917 5.6917 5.8275 5.8275 5.9276 5.9276 6.9865 6.9865 7.0313 7.0313 7.6212 7.6212 8.2535 8.2535 8.2953 8.2953 8.7433 8.7433 8.9507 8.9507 9.2664 9.2664 9.3159 9.3159 10.3008 10.3008 10.6455 10.6455 10.6692 10.6692 11.1898 11.1898 k = 0.3659-0.0000-0.0000 ( 4546 PWs) bands (ev): -3.4511 -3.4511 -2.2343 -2.2343 -0.8868 -0.8868 -0.5875 -0.5875 3.8393 3.8393 4.2617 4.2617 5.1494 5.1494 5.2107 5.2107 5.6692 5.6692 5.7753 5.7753 5.9501 5.9501 6.9678 6.9678 7.0196 7.0196 7.6097 7.6097 8.2424 8.2424 8.2910 8.2910 8.7538 8.7538 8.9555 8.9555 9.2434 9.2434 9.2948 9.2948 10.2945 10.2945 10.6584 10.6584 10.6905 10.6905 11.1425 11.1425 k = 0.3780-0.0000-0.0000 ( 4546 PWs) bands (ev): -3.3923 -3.3923 -2.2738 -2.2738 -0.8618 -0.8618 -0.5870 -0.5870 3.8455 3.8455 4.3224 4.3224 5.0791 5.0791 5.1753 5.1753 5.6418 5.6418 5.7259 5.7259 5.9792 5.9792 6.9251 6.9251 7.0325 7.0325 7.5929 7.5929 8.2338 8.2338 8.2884 8.2884 8.7665 8.7665 8.9602 8.9602 9.2209 9.2209 9.2732 9.2732 10.2944 10.2944 10.6705 10.6705 10.7157 10.7157 11.0977 11.0977 k = 0.3902-0.0000-0.0000 ( 4550 PWs) bands (ev): -3.3328 -3.3328 -2.3157 -2.3157 -0.8374 -0.8374 -0.5878 -0.5878 3.8563 3.8563 4.3834 4.3834 4.9882 4.9882 5.1636 5.1636 5.6104 5.6104 5.6791 5.6791 6.0133 6.0133 6.8783 6.8783 7.0502 7.0502 7.5715 7.5715 8.2283 8.2283 8.2864 8.2864 8.7811 8.7811 8.9649 8.9649 9.1991 9.1991 9.2509 9.2509 10.3002 10.3002 10.6822 10.6822 10.7437 10.7437 11.0547 11.0547 k = 0.4024-0.0000-0.0000 ( 4554 PWs) bands (ev): -3.2726 -3.2726 -2.3602 -2.3602 -0.8136 -0.8136 -0.5899 -0.5899 3.8724 3.8724 4.4424 4.4424 4.8992 4.8992 5.1554 5.1554 5.5765 5.5765 5.6347 5.6347 6.0514 6.0514 6.8300 6.8300 7.0701 7.0701 7.5461 7.5461 8.2259 8.2259 8.2845 8.2845 8.7977 8.7977 8.9694 8.9694 9.1783 9.1783 9.2281 9.2281 10.3116 10.3116 10.6940 10.6940 10.7732 10.7732 11.0131 11.0131 k = 0.4146-0.0000-0.0000 ( 4552 PWs) bands (ev): -3.2119 -3.2119 -2.4070 -2.4070 -0.7906 -0.7906 -0.5933 -0.5933 3.8939 3.8939 4.4947 4.4947 4.8195 4.8195 5.1477 5.1477 5.5416 5.5416 5.5921 5.5921 6.0925 6.0925 6.7809 6.7809 7.0919 7.0919 7.5176 7.5176 8.2261 8.2261 8.2826 8.2826 8.8160 8.8160 8.9739 8.9739 9.1586 9.1586 9.2049 9.2049 10.3284 10.3284 10.7060 10.7060 10.8013 10.8013 10.9734 10.9734 k = 0.4268-0.0000-0.0000 ( 4544 PWs) bands (ev): -3.1509 -3.1509 -2.4560 -2.4560 -0.7684 -0.7684 -0.5982 -0.5982 3.9210 3.9210 4.5271 4.5271 4.7625 4.7625 5.1394 5.1394 5.5075 5.5075 5.5513 5.5513 6.1360 6.1360 6.7310 6.7310 7.1153 7.1153 7.4867 7.4867 8.2282 8.2282 8.2804 8.2804 8.8358 8.8358 8.9783 8.9783 9.1403 9.1403 9.1817 9.1817 10.3503 10.3503 10.7183 10.7183 10.8189 10.8189 10.9415 10.9415 k = 0.4390-0.0000-0.0000 ( 4552 PWs) bands (ev): -3.0896 -3.0896 -2.5071 -2.5071 -0.7472 -0.7472 -0.6046 -0.6046 3.9539 3.9539 4.5161 4.5161 4.7519 4.7519 5.1291 5.1291 5.4754 5.4754 5.5130 5.5130 6.1815 6.1815 6.6807 6.6807 7.1403 7.1403 7.4541 7.4541 8.2317 8.2317 8.2777 8.2777 8.8567 8.8567 8.9822 8.9822 9.1234 9.1234 9.1588 9.1588 10.3770 10.3770 10.7308 10.7308 10.8079 10.8079 10.9263 10.9263 k = 0.4512-0.0000-0.0000 ( 4550 PWs) bands (ev): -3.0284 -3.0284 -2.5600 -2.5600 -0.7270 -0.7270 -0.6124 -0.6124 3.9923 3.9923 4.4649 4.4649 4.7842 4.7842 5.1152 5.1152 5.4468 5.4468 5.4783 5.4783 6.2285 6.2285 6.6300 6.6300 7.1668 7.1668 7.4206 7.4206 8.2363 8.2363 8.2746 8.2746 8.8785 8.8785 8.9852 8.9852 9.1083 9.1083 9.1371 9.1371 10.4082 10.4082 10.7405 10.7405 10.7738 10.7738 10.9067 10.9067 k = 0.4634-0.0000-0.0000 ( 4554 PWs) bands (ev): -2.9673 -2.9673 -2.6146 -2.6146 -0.7080 -0.7080 -0.6217 -0.6217 4.0364 4.0364 4.3989 4.3989 4.8337 4.8337 5.0956 5.0956 5.4232 5.4232 5.4487 5.4487 6.2768 6.2768 6.5791 6.5791 7.1949 7.1949 7.3867 7.3867 8.2414 8.2414 8.2711 8.2711 8.9008 8.9008 8.9861 8.9861 9.0952 9.0952 9.1173 9.1173 10.4434 10.4434 10.7152 10.7152 10.7660 10.7660 10.8820 10.8820 k = 0.4756-0.0000-0.0000 ( 4554 PWs) bands (ev): -2.9066 -2.9066 -2.6708 -2.6708 -0.6902 -0.6902 -0.6325 -0.6325 4.0858 4.0858 4.3302 4.3302 4.8876 4.8876 5.0684 5.0684 5.4067 5.4067 5.4251 5.4251 6.3260 6.3260 6.5281 6.5281 7.2243 7.2243 7.3529 7.3529 8.2468 8.2468 8.2670 8.2670 8.9228 8.9228 8.9835 8.9835 9.0856 9.0856 9.1010 9.1010 10.4825 10.4825 10.6671 10.6671 10.7801 10.7801 10.8582 10.8582 k = 0.4878-0.0000-0.0000 ( 4546 PWs) bands (ev): -2.8463 -2.8463 -2.7283 -2.7283 -0.6737 -0.6737 -0.6448 -0.6448 4.1403 4.1403 4.2632 4.2632 4.9406 4.9406 5.0330 5.0330 5.3986 5.3986 5.4084 5.4084 6.3759 6.3759 6.4771 6.4771 7.2549 7.2549 7.3194 7.3194 8.2523 8.2523 8.2625 8.2625 8.9436 8.9436 8.9755 8.9755 9.0808 9.0808 9.0890 9.0890 10.5249 10.5249 10.6180 10.6180 10.7970 10.7970 10.8360 10.8360 k = 0.5000-0.0000-0.0000 ( 4544 PWs) bands (ev): -2.7868 -2.7868 -2.7868 -2.7868 -0.6585 -0.6585 -0.6585 -0.6585 4.1996 4.1996 4.1996 4.1996 4.9898 4.9898 4.9898 4.9898 5.3993 5.3993 5.3993 5.3993 6.4264 6.4264 6.4264 6.4264 7.2867 7.2867 7.2867 7.2867 8.2575 8.2575 8.2575 8.2575 8.9618 8.9618 8.9618 8.9618 9.0820 9.0820 9.0820 9.0820 10.5703 10.5703 10.5703 10.5703 10.8157 10.8157 10.8157 10.8157 k = 0.5000-0.0000-0.0000 ( 4544 PWs) bands (ev): -2.7868 -2.7868 -2.7868 -2.7868 -0.6585 -0.6585 -0.6585 -0.6585 4.1996 4.1996 4.1996 4.1996 4.9898 4.9898 4.9898 4.9898 5.3993 5.3993 5.3993 5.3993 6.4264 6.4264 6.4264 6.4264 7.2867 7.2867 7.2867 7.2867 8.2575 8.2575 8.2575 8.2575 8.9618 8.9618 8.9618 8.9618 9.0820 9.0820 9.0820 9.0820 10.5703 10.5703 10.5703 10.5703 10.8157 10.8157 10.8157 10.8157 k = 0.5000 0.0123-0.0000 ( 4552 PWs) bands (ev): -2.7859 -2.7859 -2.7859 -2.7859 -0.6601 -0.6601 -0.6600 -0.6600 4.1983 4.1983 4.2031 4.2031 4.9677 4.9677 4.9808 4.9808 5.4049 5.4049 5.4300 5.4300 6.4168 6.4168 6.4274 6.4274 7.2861 7.2861 7.2884 7.2884 8.2526 8.2526 8.2596 8.2596 8.9611 8.9611 8.9628 8.9628 9.0815 9.0815 9.0828 9.0828 10.5664 10.5664 10.5701 10.5701 10.7970 10.7970 10.8228 10.8228 k = 0.5000 0.0245-0.0000 ( 4548 PWs) bands (ev): -2.7831 -2.7831 -2.7830 -2.7830 -0.6646 -0.6646 -0.6643 -0.6643 4.1991 4.1991 4.2086 4.2086 4.9238 4.9238 4.9441 4.9441 5.4430 5.4430 5.4877 5.4877 6.3990 6.3990 6.4204 6.4204 7.2865 7.2865 7.2909 7.2909 8.2449 8.2449 8.2587 8.2587 8.9607 8.9607 8.9642 8.9642 9.0814 9.0814 9.0841 9.0841 10.5588 10.5588 10.5660 10.5660 10.7714 10.7714 10.8174 10.8174 k = 0.5000 0.0368-0.0000 ( 4548 PWs) bands (ev): -2.7783 -2.7783 -2.7781 -2.7781 -0.6720 -0.6720 -0.6716 -0.6716 4.2018 4.2018 4.2163 4.2163 4.8693 4.8693 4.8917 4.8917 5.5010 5.5010 5.5612 5.5612 6.3735 6.3735 6.4062 6.4062 7.2871 7.2871 7.2937 7.2937 8.2352 8.2352 8.2554 8.2554 8.9608 8.9608 8.9660 8.9660 9.0818 9.0818 9.0856 9.0856 10.5475 10.5475 10.5579 10.5579 10.7432 10.7432 10.8026 10.8026 k = 0.5000 0.0490-0.0000 ( 4556 PWs) bands (ev): -2.7716 -2.7716 -2.7714 -2.7714 -0.6823 -0.6823 -0.6818 -0.6818 4.2065 4.2065 4.2258 4.2258 4.8110 4.8110 4.8330 4.8330 5.5688 5.5688 5.6434 5.6434 6.3411 6.3411 6.3861 6.3861 7.2868 7.2868 7.2956 7.2956 8.2243 8.2243 8.2503 8.2503 8.9611 8.9611 8.9681 8.9681 9.0824 9.0824 9.0874 9.0874 10.5329 10.5329 10.5459 10.5459 10.7161 10.7161 10.7831 10.7831 k = 0.5000 0.0613-0.0000 ( 4552 PWs) bands (ev): -2.7631 -2.7631 -2.7628 -2.7628 -0.6955 -0.6955 -0.6948 -0.6948 4.2129 4.2129 4.2372 4.2372 4.7528 4.7528 4.7732 4.7732 5.6399 5.6399 5.7299 5.7299 6.3033 6.3033 6.3623 6.3623 7.2845 7.2845 7.2957 7.2957 8.2135 8.2135 8.2444 8.2444 8.9618 8.9618 8.9705 8.9705 9.0835 9.0835 9.0894 9.0894 10.5157 10.5157 10.5304 10.5304 10.6920 10.6920 10.7622 10.7622 k = 0.5000 0.0736-0.0000 ( 4548 PWs) bands (ev): -2.7527 -2.7527 -2.7524 -2.7524 -0.7114 -0.7114 -0.7106 -0.7106 4.2207 4.2207 4.2502 4.2502 4.6969 4.6969 4.7151 4.7151 5.7092 5.7092 5.8174 5.8174 6.2618 6.2618 6.3376 6.3376 7.2785 7.2785 7.2925 7.2925 8.2040 8.2040 8.2388 8.2388 8.9628 8.9628 8.9732 8.9732 9.0848 9.0848 9.0915 9.0915 10.4964 10.4964 10.5119 10.5119 10.6721 10.6721 10.7422 10.7422 k = 0.5000 0.0858-0.0000 ( 4546 PWs) bands (ev): -2.7405 -2.7405 -2.7401 -2.7401 -0.7301 -0.7301 -0.7291 -0.7291 4.2297 4.2297 4.2643 4.2643 4.6447 4.6447 4.6607 4.6607 5.7717 5.7717 5.9018 5.9018 6.2202 6.2202 6.3163 6.3163 7.2674 7.2674 7.2852 7.2852 8.1974 8.1974 8.2348 8.2348 8.9642 8.9642 8.9763 8.9763 9.0863 9.0863 9.0937 9.0937 10.4758 10.4758 10.4914 10.4914 10.6567 10.6567 10.7240 10.7240 k = 0.5000 0.0981-0.0000 ( 4550 PWs) bands (ev): -2.7265 -2.7265 -2.7260 -2.7260 -0.7513 -0.7513 -0.7502 -0.7502 4.2393 4.2393 4.2789 4.2789 4.5973 4.5973 4.6115 4.6115 5.8208 5.8208 5.9728 5.9728 6.1883 6.1883 6.3042 6.3042 7.2501 7.2501 7.2726 7.2726 8.1949 8.1949 8.2336 8.2336 8.9658 8.9658 8.9795 8.9795 9.0879 9.0879 9.0959 9.0959 10.4548 10.4548 10.4700 10.4700 10.6457 10.6457 10.7085 10.7085 k = 0.5000 0.1104-0.0000 ( 4558 PWs) bands (ev): -2.7107 -2.7107 -2.7102 -2.7102 -0.7751 -0.7751 -0.7738 -0.7738 4.2486 4.2486 4.2927 4.2927 4.5559 4.5559 4.5692 4.5692 5.8498 5.8498 6.0031 6.0031 6.1930 6.1930 6.3079 6.3079 7.2256 7.2256 7.2541 7.2541 8.1977 8.1977 8.2362 8.2362 8.9677 8.9677 8.9831 8.9831 9.0896 9.0896 9.0981 9.0981 10.4340 10.4340 10.4487 10.4487 10.6388 10.6388 10.6957 10.6957 k = 0.5000 0.1226-0.0000 ( 4554 PWs) bands (ev): -2.6933 -2.6933 -2.6928 -2.6928 -0.8012 -0.8012 -0.7998 -0.7998 4.2567 4.2567 4.3040 4.3040 4.5216 4.5216 4.5359 4.5359 5.8546 5.8546 5.9798 5.9798 6.2470 6.2470 6.3313 6.3313 7.1937 7.1937 7.2295 7.2295 8.2065 8.2065 8.2438 8.2438 8.9700 8.9700 8.9870 8.9870 9.0914 9.0914 9.1003 9.1003 10.4144 10.4144 10.4286 10.4286 10.6357 10.6357 10.6857 10.6857 k = 0.5000 0.1349-0.0000 ( 4556 PWs) bands (ev): -2.6742 -2.6742 -2.6736 -2.6736 -0.8296 -0.8296 -0.8280 -0.8280 4.2620 4.2620 4.3101 4.3101 4.4962 4.4962 4.5143 4.5143 5.8377 5.8377 5.9318 5.9318 6.3206 6.3206 6.3718 6.3718 7.1545 7.1545 7.1988 7.1988 8.2216 8.2216 8.2566 8.2566 8.9726 8.9726 8.9911 8.9911 9.0932 9.0932 9.1025 9.1025 10.3964 10.3964 10.4102 10.4102 10.6363 10.6363 10.6787 10.6787 k = 0.5000 0.1471-0.0000 ( 4554 PWs) bands (ev): -2.6537 -2.6537 -2.6530 -2.6530 -0.8600 -0.8600 -0.8583 -0.8583 4.2634 4.2634 4.3087 4.3087 4.4809 4.4809 4.5063 4.5063 5.8053 5.8053 5.8755 5.8755 6.3960 6.3960 6.4239 6.4239 7.1089 7.1089 7.1626 7.1626 8.2429 8.2429 8.2750 8.2750 8.9754 8.9754 8.9955 8.9955 9.0950 9.0950 9.1047 9.1047 10.3807 10.3807 10.3941 10.3941 10.6406 10.6406 10.6747 10.6747 k = 0.5000 0.1594-0.0000 ( 4554 PWs) bands (ev): -2.6316 -2.6316 -2.6309 -2.6309 -0.8922 -0.8922 -0.8905 -0.8905 4.2605 4.2605 4.3001 4.3001 4.4761 4.4761 4.5114 4.5114 5.7632 5.7632 5.8161 5.8161 6.4643 6.4643 6.4844 6.4844 7.0581 7.0581 7.1220 7.1220 8.2697 8.2697 8.2989 8.2989 8.9786 8.9786 9.0001 9.0001 9.0967 9.0967 9.1069 9.1069 10.3676 10.3676 10.3805 10.3805 10.6488 10.6488 10.6739 10.6739 k = 0.5000 0.1717-0.0000 ( 4558 PWs) bands (ev): -2.6082 -2.6082 -2.6074 -2.6074 -0.9262 -0.9262 -0.9242 -0.9242 4.2544 4.2544 4.2874 4.2874 4.4802 4.4802 4.5265 4.5265 5.7158 5.7158 5.7558 5.7558 6.5211 6.5211 6.5491 6.5491 7.0042 7.0042 7.0787 7.0787 8.3013 8.3013 8.3277 8.3277 8.9820 8.9820 9.0049 9.0049 9.0984 9.0984 9.1091 9.1091 10.3573 10.3573 10.3695 10.3695 10.6608 10.6608 10.6767 10.6767 k = 0.5000 0.1839-0.0000 ( 4562 PWs) bands (ev): -2.5836 -2.5836 -2.5827 -2.5827 -0.9615 -0.9615 -0.9595 -0.9595 4.2468 4.2468 4.2738 4.2738 4.4910 4.4910 4.5481 4.5481 5.6658 5.6658 5.6959 5.6959 6.5682 6.5682 6.6082 6.6082 6.9506 6.9506 7.0355 7.0355 8.3369 8.3369 8.3608 8.3608 8.9858 8.9858 9.0100 9.0100 9.1000 9.1000 9.1113 9.1113 10.3497 10.3497 10.3613 10.3613 10.6752 10.6752 10.6852 10.6852 k = 0.5000 0.1962-0.0000 ( 4554 PWs) bands (ev): -2.5578 -2.5578 -2.5568 -2.5568 -0.9981 -0.9981 -0.9958 -0.9958 4.2397 4.2397 4.2614 4.2614 4.5060 4.5060 4.5732 4.5732 5.6154 5.6154 5.6376 5.6376 6.6016 6.6016 6.6543 6.6543 6.9039 6.9039 6.9967 6.9967 8.3753 8.3753 8.3974 8.3974 8.9899 8.9899 9.0153 9.0153 9.1017 9.1017 9.1136 9.1136 10.3448 10.3448 10.3559 10.3559 10.6880 10.6880 10.7043 10.7043 k = 0.5000 0.2084-0.0000 ( 4552 PWs) bands (ev): -2.5312 -2.5312 -2.5301 -2.5301 -1.0355 -1.0355 -1.0331 -1.0331 4.2345 4.2345 4.2516 4.2516 4.5231 4.5231 4.5999 4.5999 5.5661 5.5661 5.5821 5.5821 6.6117 6.6117 6.6785 6.6785 6.8757 6.8757 6.9696 6.9696 8.4153 8.4153 8.4364 8.4364 8.9943 8.9943 9.0208 9.0208 9.1032 9.1032 9.1159 9.1159 10.3420 10.3420 10.3530 10.3530 10.7022 10.7022 10.7316 10.7316 k = 0.5000 0.2207-0.0000 ( 4554 PWs) bands (ev): -2.5038 -2.5038 -2.5026 -2.5026 -1.0734 -1.0734 -1.0709 -1.0709 4.2318 4.2318 4.2450 4.2450 4.5409 4.5409 4.6265 4.6265 5.5185 5.5185 5.5313 5.5313 6.5900 6.5900 6.6744 6.6744 6.8746 6.8746 6.9614 6.9614 8.4558 8.4558 8.4766 8.4766 8.9990 8.9990 9.0265 9.0265 9.1047 9.1047 9.1182 9.1182 10.3409 10.3409 10.3527 10.3527 10.7204 10.7204 10.7655 10.7655 k = 0.5000 0.2330-0.0000 ( 4558 PWs) bands (ev): -2.4759 -2.4759 -2.4746 -2.4746 -1.1116 -1.1116 -1.1089 -1.1089 4.2323 4.2323 4.2418 4.2418 4.5576 4.5576 4.6514 4.6514 5.4729 5.4729 5.4879 5.4879 6.5416 6.5416 6.6464 6.6464 6.8923 6.8923 6.9722 6.9722 8.4958 8.4958 8.5170 8.5170 9.0040 9.0040 9.0323 9.0323 9.1061 9.1061 9.1206 9.1206 10.3410 10.3410 10.3546 10.3546 10.7434 10.7434 10.8058 10.8058 k = 0.5000 0.2452-0.0000 ( 4562 PWs) bands (ev): -2.4478 -2.4478 -2.4463 -2.4463 -1.1496 -1.1496 -1.1467 -1.1467 4.2361 4.2361 4.2421 4.2421 4.5720 4.5720 4.6730 4.6730 5.4305 5.4305 5.4534 5.4534 6.4784 6.4784 6.6036 6.6036 6.9171 6.9171 6.9944 6.9944 8.5341 8.5341 8.5562 8.5562 9.0092 9.0092 9.0383 9.0383 9.1076 9.1076 9.1231 9.1231 10.3418 10.3418 10.3582 10.3582 10.7714 10.7714 10.8523 10.8523 k = 0.5000 0.2575-0.0000 ( 4582 PWs) bands (ev): -2.4198 -2.4198 -2.4182 -2.4182 -1.1869 -1.1869 -1.1839 -1.1839 4.2430 4.2430 4.2463 4.2463 4.5826 4.5826 4.6895 4.6895 5.3936 5.3936 5.4285 5.4285 6.4082 6.4082 6.5533 6.5533 6.9430 6.9430 7.0204 7.0204 8.5699 8.5699 8.5933 8.5933 9.0146 9.0146 9.0443 9.0443 9.1091 9.1091 9.1256 9.1256 10.3431 10.3431 10.3627 10.3627 10.8043 10.8043 10.9048 10.9048 k = 0.5000 0.2698-0.0000 ( 4578 PWs) bands (ev): -2.3922 -2.3922 -2.3905 -2.3905 -1.2232 -1.2232 -1.2200 -1.2200 4.2515 4.2515 4.2555 4.2555 4.5883 4.5883 4.6996 4.6996 5.3635 5.3635 5.4145 5.4145 6.3347 6.3347 6.5002 6.5002 6.9678 6.9678 7.0463 7.0463 8.6027 8.6027 8.6273 8.6273 9.0200 9.0200 9.0503 9.0503 9.1108 9.1108 9.1281 9.1281 10.3448 10.3448 10.3678 10.3678 10.8419 10.8419 10.9625 10.9625 k = 0.5000 0.2820-0.0000 ( 4578 PWs) bands (ev): -2.3657 -2.3657 -2.3638 -2.3638 -1.2577 -1.2577 -1.2543 -1.2543 4.2615 4.2615 4.2693 4.2693 4.5880 4.5880 4.7024 4.7024 5.3408 5.3408 5.4121 5.4121 6.2602 6.2602 6.4472 6.4472 6.9902 6.9902 7.0700 7.0700 8.6318 8.6318 8.6576 8.6576 9.0253 9.0253 9.0561 9.0561 9.1127 9.1127 9.1305 9.1305 10.3466 10.3466 10.3729 10.3729 10.8830 10.8830 11.0242 11.0242 k = 0.5000 0.2943-0.0000 ( 4578 PWs) bands (ev): -2.3406 -2.3406 -2.3385 -2.3385 -1.2899 -1.2899 -1.2864 -1.2864 4.2736 4.2736 4.2866 4.2866 4.5815 4.5815 4.6980 4.6980 5.3256 5.3256 5.4214 5.4214 6.1860 6.1860 6.3964 6.3964 7.0098 7.0098 7.0909 7.0909 8.6570 8.6570 8.6838 8.6838 9.0303 9.0303 9.0616 9.0616 9.1148 9.1148 9.1327 9.1327 10.3483 10.3483 10.3777 10.3777 10.9263 10.9263 11.0880 11.0880 k = 0.5000 0.3065-0.0000 ( 4590 PWs) bands (ev): -2.3176 -2.3176 -2.3154 -2.3154 -1.3191 -1.3191 -1.3154 -1.3154 4.2874 4.2874 4.3069 4.3069 4.5687 4.5687 4.6877 4.6877 5.3172 5.3172 5.4412 5.4412 6.1134 6.1134 6.3496 6.3496 7.0264 7.0264 7.1085 7.1085 8.6781 8.6781 8.7056 8.7056 9.0347 9.0347 9.0665 9.0665 9.1172 9.1172 9.1346 9.1346 10.3499 10.3499 10.3818 10.3818 10.9697 10.9697 11.1516 11.1516 k = 0.5000 0.3188-0.0000 ( 4582 PWs) bands (ev): -2.2974 -2.2974 -2.2950 -2.2950 -1.3446 -1.3446 -1.3406 -1.3406 4.3019 4.3019 4.3297 4.3297 4.5505 4.5505 4.6735 4.6735 5.3142 5.3142 5.4696 5.4696 6.0438 6.0438 6.3083 6.3083 7.0399 7.0399 7.1229 7.1229 8.6953 8.6953 8.7231 8.7231 9.0385 9.0385 9.0707 9.0707 9.1198 9.1198 9.1361 9.1361 10.3513 10.3513 10.3853 10.3853 11.0108 11.0108 11.2118 11.2118 k = 0.5000 0.3311-0.0000 ( 4582 PWs) bands (ev): -2.2806 -2.2806 -2.2781 -2.2781 -1.3654 -1.3654 -1.3614 -1.3614 4.3161 4.3161 4.3548 4.3548 4.5279 4.5279 4.6579 4.6579 5.3147 5.3147 5.5035 5.5035 5.9793 5.9793 6.2741 6.2741 7.0503 7.0503 7.1340 7.1340 8.7084 8.7084 8.7365 8.7365 9.0415 9.0415 9.0740 9.0740 9.1225 9.1225 9.1371 9.1371 10.3525 10.3525 10.3880 10.3880 11.0469 11.0469 11.2650 11.2650 k = 0.5000 0.3433-0.0000 ( 4576 PWs) bands (ev): -2.2680 -2.2680 -2.2655 -2.2655 -1.3810 -1.3810 -1.3768 -1.3768 4.3283 4.3283 4.3813 4.3813 4.5025 4.5025 4.6438 4.6438 5.3169 5.3169 5.5383 5.5383 5.9233 5.9233 6.2484 6.2484 7.0578 7.0578 7.1419 7.1419 8.7177 8.7177 8.7458 8.7458 9.0437 9.0437 9.0763 9.0763 9.1249 9.1249 9.1376 9.1376 10.3533 10.3533 10.3900 10.3900 11.0752 11.0752 11.3071 11.3071 k = 0.5000 0.3556-0.0000 ( 4572 PWs) bands (ev): -2.2602 -2.2602 -2.2576 -2.2576 -1.3906 -1.3906 -1.3864 -1.3864 4.3367 4.3367 4.4078 4.4078 4.4764 4.4764 4.6339 4.6339 5.3190 5.3190 5.5668 5.5668 5.8824 5.8824 6.2324 6.2324 7.0622 7.0622 7.1466 7.1466 8.7233 8.7233 8.7513 8.7513 9.0450 9.0450 9.0777 9.0777 9.1267 9.1267 9.1378 9.1378 10.3538 10.3538 10.3912 10.3912 11.0933 11.0933 11.3344 11.3344 k = 0.5000 0.3678-0.0000 ( 4576 PWs) bands (ev): -2.2576 -2.2576 -2.2549 -2.2549 -1.3939 -1.3939 -1.3896 -1.3896 4.3398 4.3398 4.4244 4.4244 4.4598 4.4598 4.6303 4.6303 5.3199 5.3199 5.5785 5.5785 5.8667 5.8667 6.2269 6.2269 7.0637 7.0637 7.1482 7.1482 8.7251 8.7251 8.7532 8.7532 9.0455 9.0455 9.0781 9.0781 9.1273 9.1273 9.1377 9.1377 10.3540 10.3540 10.3916 10.3916 11.0996 11.0996 11.3438 11.3438 k = 0.5000 0.3678-0.0000 ( 4576 PWs) bands (ev): -2.2576 -2.2576 -2.2549 -2.2549 -1.3939 -1.3939 -1.3896 -1.3896 4.3398 4.3398 4.4244 4.4244 4.4598 4.4598 4.6303 4.6303 5.3199 5.3199 5.5785 5.5785 5.8667 5.8667 6.2269 6.2269 7.0637 7.0637 7.1482 7.1482 8.7251 8.7251 8.7532 8.7532 9.0455 9.0455 9.0781 9.0781 9.1273 9.1273 9.1377 9.1377 10.3540 10.3540 10.3916 10.3916 11.0996 11.0996 11.3438 11.3438 k = 0.4878 0.3678-0.0000 ( 4580 PWs) bands (ev): -2.2600 -2.2599 -2.2573 -2.2572 -1.3931 -1.3931 -1.3888 -1.3887 4.3230 4.3267 4.4400 4.4447 4.4541 4.4575 4.6356 4.6383 5.3098 5.3147 5.5725 5.5734 5.8737 5.8801 6.2325 6.2359 7.0653 7.0667 7.1488 7.1508 8.7243 8.7253 8.7528 8.7529 9.0432 9.0479 9.0772 9.0786 9.1259 9.1290 9.1359 9.1394 10.3529 10.3540 10.3908 10.3911 11.0999 11.1001 11.3438 11.3443 k = 0.4756 0.3678-0.0000 ( 4580 PWs) bands (ev): -2.2670 -2.2669 -2.2644 -2.2642 -1.3907 -1.3907 -1.3865 -1.3863 4.2937 4.2981 4.4423 4.4484 4.4768 4.4834 4.6532 4.6578 5.2870 5.2958 5.5566 5.5582 5.8997 5.9117 6.2518 6.2584 7.0716 7.0745 7.1525 7.1566 8.7229 8.7250 8.7519 8.7521 9.0411 9.0505 9.0760 9.0785 9.1249 9.1310 9.1340 9.1412 10.3507 10.3529 10.3889 10.3894 11.1011 11.1015 11.3444 11.3454 k = 0.4634 0.3678-0.0000 ( 4582 PWs) bands (ev): -2.2785 -2.2784 -2.2760 -2.2757 -1.3869 -1.3869 -1.3827 -1.3825 4.2629 4.2671 4.4271 4.4350 4.5217 4.5292 4.6797 4.6856 5.2563 5.2677 5.5333 5.5352 5.9407 5.9570 6.2823 6.2917 7.0827 7.0870 7.1596 7.1657 8.7209 8.7241 8.7504 8.7507 9.0390 9.0534 9.0745 9.0779 9.1245 9.1321 9.1333 9.1430 10.3475 10.3508 10.3857 10.3865 11.1032 11.1037 11.3455 11.3471 k = 0.4512 0.3678-0.0000 ( 4586 PWs) bands (ev): -2.2942 -2.2941 -2.2918 -2.2915 -1.3820 -1.3819 -1.3778 -1.3775 4.2328 4.2367 4.4101 4.4193 4.5715 4.5798 4.7122 4.7192 5.2230 5.2356 5.5055 5.5076 5.9919 6.0115 6.3208 6.3329 7.0986 7.1044 7.1698 7.1781 8.7184 8.7226 8.7483 8.7486 9.0370 9.0564 9.0725 9.0766 9.1249 9.1304 9.1361 9.1452 10.3431 10.3476 10.3814 10.3824 11.1060 11.1067 11.3472 11.3492 k = 0.4390 0.3678-0.0000 ( 4590 PWs) bands (ev): -2.3138 -2.3137 -2.3114 -2.3110 -1.3761 -1.3760 -1.3720 -1.3716 4.2038 4.2073 4.3917 4.4019 4.6251 4.6342 4.7485 4.7568 5.1918 5.2043 5.4763 5.4781 6.0497 6.0720 6.3646 6.3791 7.1198 7.1270 7.1834 7.1939 8.7152 8.7206 8.7456 8.7460 9.0349 9.0595 9.0702 9.0745 9.1264 9.1290 9.1396 9.1478 10.3378 10.3435 10.3760 10.3773 11.1097 11.1104 11.3494 11.3518 k = 0.4268 0.3678-0.0000 ( 4582 PWs) bands (ev): -2.3368 -2.3366 -2.3345 -2.3340 -1.3697 -1.3696 -1.3655 -1.3652 4.1757 4.1789 4.3718 4.3826 4.6823 4.6922 4.7868 4.7967 5.1666 5.1779 5.4478 5.4494 6.1114 6.1359 6.4110 6.4277 7.1462 7.1548 7.2004 7.2131 8.7115 8.7180 8.7424 8.7427 9.0329 9.0625 9.0675 9.0717 9.1284 9.1293 9.1441 9.1512 10.3317 10.3386 10.3696 10.3711 11.1140 11.1146 11.3521 11.3550 k = 0.4146 0.3678-0.0000 ( 4578 PWs) bands (ev): -2.3628 -2.3626 -2.3606 -2.3601 -1.3630 -1.3629 -1.3589 -1.3585 4.1482 4.1509 4.3497 4.3608 4.7428 4.7536 4.8250 4.8373 5.1514 5.1602 5.4221 5.4232 6.1750 6.2015 6.4583 6.4770 7.1780 7.1879 7.2207 7.2358 8.7072 8.7149 8.7385 8.7388 9.0308 9.0647 9.0652 9.0684 9.1289 9.1334 9.1495 9.1553 10.3246 10.3328 10.3622 10.3641 11.1189 11.1193 11.3553 11.3585 k = 0.4024 0.3678-0.0000 ( 4578 PWs) bands (ev): -2.3914 -2.3912 -2.3893 -2.3887 -1.3563 -1.3562 -1.3523 -1.3518 4.1207 4.1231 4.3246 4.3358 4.8065 4.8181 4.8615 4.8769 5.1497 5.1547 5.4007 5.4012 6.2390 6.2674 6.5050 6.5253 7.2152 7.2261 7.2444 7.2619 8.7024 8.7113 8.7340 8.7343 9.0287 9.0617 9.0647 9.0672 9.1310 9.1390 9.1562 9.1605 10.3167 10.3264 10.3540 10.3562 11.1243 11.1244 11.3590 11.3626 k = 0.3902 0.3678-0.0000 ( 4562 PWs) bands (ev): -2.4221 -2.4219 -2.4201 -2.4195 -1.3500 -1.3499 -1.3459 -1.3455 4.0929 4.0949 4.2958 4.3067 4.8732 4.8857 4.8951 4.9139 5.1636 5.1640 5.3846 5.3847 6.3026 6.3326 6.5500 6.5718 7.2574 7.2691 7.2716 7.2914 8.6972 8.7073 8.7292 8.7292 9.0267 9.0587 9.0611 9.0684 9.1352 9.1461 9.1643 9.1670 10.3083 10.3194 10.3451 10.3477 11.1298 11.1304 11.3633 11.3671 k = 0.3780 0.3678-0.0000 ( 4562 PWs) bands (ev): -2.4546 -2.4544 -2.4527 -2.4521 -1.3442 -1.3440 -1.3402 -1.3397 4.0644 4.0659 4.2630 4.2733 4.9263 4.9427 4.9481 4.9563 5.1891 5.1932 5.3744 5.3751 6.3648 6.3964 6.5928 6.6159 7.3021 7.3042 7.3165 7.3243 8.6917 8.7030 8.7236 8.7238 9.0248 9.0560 9.0577 9.0687 9.1415 9.1546 9.1738 9.1747 10.2992 10.3119 10.3356 10.3385 11.1355 11.1368 11.3681 11.3722 k = 0.3659 0.3678-0.0000 ( 4562 PWs) bands (ev): -2.4886 -2.4883 -2.4867 -2.4861 -1.3391 -1.3389 -1.3351 -1.3346 4.0347 4.0359 4.2261 4.2356 4.9574 4.9812 5.0149 5.0296 5.2282 5.2361 5.3710 5.3724 6.4250 6.4580 6.6333 6.6572 7.3357 7.3548 7.3603 7.3673 8.6861 8.6986 8.7176 8.7181 9.0232 9.0535 9.0546 9.0683 9.1501 9.1647 9.1837 9.1849 10.2896 10.3040 10.3255 10.3290 11.1414 11.1436 11.3735 11.3779 k = 0.3537 0.3678-0.0000 ( 4550 PWs) bands (ev): -2.5236 -2.5233 -2.5218 -2.5211 -1.3348 -1.3347 -1.3309 -1.3304 4.0037 4.0045 4.1857 4.1943 4.9910 5.0157 5.0896 5.1056 5.2784 5.2893 5.3749 5.3771 6.4828 6.5170 6.6712 6.6959 7.3723 7.3993 7.4081 7.4206 8.6806 8.6944 8.7114 8.7123 9.0218 9.0516 9.0523 9.0675 9.1608 9.1765 9.1943 9.1979 10.2797 10.2959 10.3152 10.3192 11.1476 11.1510 11.3796 11.3842 k = 0.3415 0.3678-0.0000 ( 4552 PWs) bands (ev): -2.5593 -2.5590 -2.5577 -2.5570 -1.3315 -1.3314 -1.3277 -1.3272 3.9712 3.9718 4.1422 4.1499 5.0289 5.0540 5.1667 5.1840 5.3364 5.3499 5.3863 5.3893 6.5378 6.5731 6.7068 6.7319 7.4114 7.4406 7.4630 7.4752 8.6755 8.6905 8.7052 8.7065 9.0208 9.0503 9.0506 9.0666 9.1735 9.1902 9.2065 9.2129 10.2695 10.2876 10.3045 10.3092 11.1541 11.1588 11.3865 11.3913 k = 0.3293 0.3678-0.0000 ( 4542 PWs) bands (ev): -2.5956 -2.5953 -2.5941 -2.5933 -1.3292 -1.3291 -1.3254 -1.3250 3.9374 3.9376 4.0964 4.1032 5.0720 5.0972 5.2457 5.2647 5.4002 5.4052 5.4092 5.4161 6.5898 6.6259 6.7404 6.7656 7.4524 7.4838 7.5182 7.5299 8.6713 8.6875 8.6992 8.7011 9.0203 9.0496 9.0498 9.0657 9.1882 9.2061 9.2202 9.2300 10.2593 10.2794 10.2939 10.2993 11.1609 11.1672 11.3942 11.3993 k = 0.3171 0.3678-0.0000 ( 4538 PWs) bands (ev): -2.6321 -2.6318 -2.6307 -2.6299 -1.3280 -1.3278 -1.3243 -1.3238 3.9022 3.9023 4.0490 4.0549 5.1204 5.1458 5.3259 5.3473 5.4315 5.4370 5.4683 5.4866 6.6389 6.6755 6.7721 6.7973 7.4948 7.5283 7.5723 7.5833 8.6682 8.6855 8.6939 8.6963 9.0202 9.0496 9.0498 9.0651 9.2047 9.2241 9.2356 9.2494 10.2493 10.2715 10.2834 10.2897 11.1681 11.1761 11.4030 11.4084 k = 0.3049 0.3678-0.0000 ( 4530 PWs) bands (ev): -2.6687 -2.6683 -2.6673 -2.6665 -1.3278 -1.3276 -1.3241 -1.3237 3.8659 3.8660 4.0006 4.0059 5.1741 5.1997 5.4050 5.4294 5.4669 5.4746 5.5396 5.5606 6.6850 6.7218 6.8023 6.8273 7.5378 7.5732 7.6242 7.6342 8.6667 8.6852 8.6894 8.6923 9.0207 9.0503 9.0507 9.0648 9.2229 9.2446 9.2525 9.2713 10.2396 10.2640 10.2733 10.2806 11.1757 11.1858 11.4130 11.4187 k = 0.2927 0.3678-0.0000 ( 4534 PWs) bands (ev): -2.7050 -2.7046 -2.7037 -2.7029 -1.3286 -1.3284 -1.3250 -1.3245 3.8286 3.8289 3.9519 3.9565 5.2324 5.2584 5.4751 5.4927 5.5291 5.5291 5.6135 5.6374 6.7281 6.7649 6.8312 6.8558 7.5804 7.6178 7.6726 7.6814 8.6672 8.6860 8.6866 8.6896 9.0215 9.0515 9.0523 9.0648 9.2428 9.2676 9.2710 9.2958 10.2307 10.2573 10.2639 10.2723 11.1839 11.1963 11.4242 11.4302 k = 0.2805 0.3678-0.0000 ( 4532 PWs) bands (ev): -2.7409 -2.7405 -2.7397 -2.7389 -1.3303 -1.3301 -1.3268 -1.3264 3.7909 3.7914 3.9033 3.9074 5.2949 5.3215 5.5308 5.5394 5.6054 5.6153 5.6896 5.7168 6.7685 6.8049 6.8589 6.8829 7.6219 7.6612 7.7164 7.7238 8.6699 8.6843 8.6885 8.6901 9.0228 9.0534 9.0546 9.0653 9.2643 9.2910 9.2933 9.3228 10.2229 10.2518 10.2555 10.2652 11.1927 11.2076 11.4369 11.4433 k = 0.2683 0.3678-0.0000 ( 4528 PWs) bands (ev): -2.7763 -2.7759 -2.7752 -2.7744 -1.3329 -1.3327 -1.3296 -1.3291 3.7530 3.7536 3.8553 3.8588 5.3609 5.3884 5.5822 5.5878 5.6922 5.7060 5.7676 5.7983 6.8062 6.8419 6.8856 6.9088 7.6613 7.7024 7.7550 7.7607 8.6751 8.6845 8.6893 8.6959 9.0244 9.0556 9.0574 9.0660 9.2874 9.3126 9.3215 9.3523 10.2168 10.2480 10.2484 10.2596 11.2023 11.2199 11.4511 11.4579 k = 0.2561 0.3678-0.0000 ( 4524 PWs) bands (ev): -2.8110 -2.8106 -2.8099 -2.8092 -1.3363 -1.3362 -1.3331 -1.3327 3.7152 3.7158 3.8080 3.8112 5.4297 5.4583 5.6349 5.6396 5.7832 5.7989 5.8471 5.8819 6.8415 6.8762 6.9116 6.9335 7.6979 7.7408 7.7879 7.7914 8.6826 8.6867 8.6921 8.7039 9.0263 9.0583 9.0607 9.0671 9.3118 9.3354 9.3520 9.3839 10.2130 10.2433 10.2465 10.2560 11.2126 11.2332 11.4668 11.4741 k = 0.2439 0.3678-0.0000 ( 4520 PWs) bands (ev): -2.8448 -2.8444 -2.8438 -2.8431 -1.3405 -1.3403 -1.3374 -1.3370 3.6778 3.6785 3.7620 3.7647 5.5007 5.5305 5.6895 5.6943 5.8768 5.8934 5.9280 5.9673 6.8746 6.9078 6.9368 6.9572 7.7310 7.7758 7.8149 7.8159 8.6911 8.6924 8.6971 8.7139 9.0283 9.0610 9.0642 9.0684 9.3372 9.3594 9.3844 9.4171 10.2124 10.2404 10.2480 10.2548 11.2237 11.2475 11.4842 11.4921 k = 0.2317 0.3678-0.0000 ( 4520 PWs) bands (ev): -2.8777 -2.8773 -2.8768 -2.8760 -1.3452 -1.3451 -1.3422 -1.3419 3.6410 3.6417 3.7172 3.7197 5.5731 5.6042 5.7460 5.7514 5.9722 5.9890 6.0101 6.0544 6.9055 6.9369 6.9616 6.9797 7.7603 7.8069 7.8342 7.8362 8.6976 8.7041 8.7042 8.7255 9.0303 9.0637 9.0677 9.0697 9.3635 9.3842 9.4178 9.4510 10.2159 10.2406 10.2535 10.2567 11.2356 11.2628 11.5033 11.5117 k = 0.2195 0.3678-0.0000 ( 4524 PWs) bands (ev): -2.9095 -2.9090 -2.9086 -2.9078 -1.3505 -1.3504 -1.3476 -1.3473 3.6050 3.6058 3.6741 3.6763 5.6463 5.6788 5.8038 5.8100 6.0689 6.0854 6.0931 6.1430 6.9345 6.9636 6.9860 7.0013 7.7855 7.8339 7.8469 7.8523 8.7062 8.7134 8.7172 8.7384 9.0319 9.0661 9.0708 9.0710 9.3900 9.4094 9.4512 9.4844 10.2247 10.2444 10.2621 10.2639 11.2481 11.2790 11.5239 11.5330 k = 0.2073 0.3678-0.0000 ( 4514 PWs) bands (ev): -2.9400 -2.9395 -2.9392 -2.9385 -1.3562 -1.3561 -1.3535 -1.3531 3.5702 3.5710 3.6326 3.6346 5.7196 5.7535 5.8624 5.8697 6.1664 6.1767 6.1819 6.2329 6.9619 6.9879 7.0103 7.0219 7.8067 7.8545 7.8570 7.8640 8.7167 8.7245 8.7313 8.7521 9.0331 9.0680 9.0716 9.0740 9.4162 9.4347 9.4833 9.5160 10.2400 10.2526 10.2719 10.2805 11.2612 11.2959 11.5461 11.5558 k = 0.1951 0.3678-0.0000 ( 4506 PWs) bands (ev): -2.9693 -2.9688 -2.9685 -2.9678 -1.3622 -1.3620 -1.3596 -1.3592 3.5366 3.5374 3.5930 3.5947 5.7923 5.8276 5.9213 5.9299 6.2605 6.2639 6.2776 6.3237 6.9878 7.0101 7.0349 7.0415 7.8242 7.8579 7.8720 7.8763 8.7285 8.7369 8.7459 8.7662 9.0335 9.0692 9.0719 9.0763 9.4416 9.4595 9.5126 9.5444 10.2629 10.2659 10.2864 10.3043 11.2745 11.3134 11.5695 11.5798 k = 0.1829 0.3678-0.0000 ( 4510 PWs) bands (ev): -2.9972 -2.9967 -2.9965 -2.9957 -1.3684 -1.3682 -1.3659 -1.3656 3.5045 3.5053 3.5553 3.5569 5.8639 5.9005 5.9800 5.9901 6.3437 6.3607 6.3717 6.4150 7.0125 7.0300 7.0601 7.0601 7.8386 7.8579 7.8774 7.8925 8.7413 8.7504 8.7605 8.7803 9.0330 9.0695 9.0715 9.0778 9.4651 9.4831 9.5378 9.5683 10.2851 10.2940 10.3063 10.3361 11.2879 11.3312 11.5940 11.6049 k = 0.1707 0.3678-0.0000 ( 4514 PWs) bands (ev): -3.0236 -3.0231 -3.0229 -3.0222 -1.3747 -1.3745 -1.3723 -1.3720 3.4739 3.4747 3.5196 3.5211 5.9339 5.9717 6.0380 6.0497 6.4257 6.4557 6.4626 6.5060 7.0365 7.0479 7.0781 7.0866 7.8506 7.8557 7.8813 7.9062 8.7546 8.7643 8.7748 8.7941 9.0313 9.0686 9.0701 9.0783 9.4862 9.5049 9.5581 9.5871 10.3105 10.3319 10.3337 10.3762 11.3010 11.3490 11.6192 11.6306 k = 0.1585 0.3678-0.0000 ( 4516 PWs) bands (ev): -3.0484 -3.0479 -3.0479 -3.0471 -1.3809 -1.3808 -1.3788 -1.3785 3.4451 3.4458 3.4861 3.4874 6.0019 6.0406 6.0950 6.1083 6.5051 6.5476 6.5488 6.5960 7.0601 7.0639 7.0957 7.1152 7.8521 7.8610 7.8846 7.9184 8.7681 8.7785 8.7886 8.8075 9.0281 9.0662 9.0675 9.0776 9.5043 9.5246 9.5729 9.6005 10.3425 10.3632 10.3815 10.4245 11.3134 11.3665 11.6446 11.6563 k = 0.1463 0.3678-0.0000 ( 4532 PWs) bands (ev): -3.0717 -3.0712 -3.0712 -3.0705 -1.3872 -1.3871 -1.3852 -1.3849 3.4181 3.4188 3.4547 3.4560 6.0675 6.1069 6.1505 6.1655 6.5806 6.6282 6.6348 6.6836 7.0783 7.0839 7.1132 7.1468 7.8483 7.8707 7.8886 7.9299 8.7813 8.7924 8.8016 8.8202 9.0234 9.0622 9.0635 9.0755 9.5190 9.5417 9.5823 9.6091 10.3808 10.4002 10.4361 10.4801 11.3247 11.3832 11.6698 11.6814 k = 0.1341 0.3678-0.0000 ( 4536 PWs) bands (ev): -3.0933 -3.0928 -3.0928 -3.0921 -1.3932 -1.3931 -1.3914 -1.3911 3.3930 3.3937 3.4256 3.4268 6.1303 6.1703 6.2042 6.2208 6.6505 6.6989 6.7152 6.7672 7.0918 7.1086 7.1316 7.1819 7.8457 7.8808 7.8945 7.9417 8.7940 8.8059 8.8137 8.8322 9.0171 9.0565 9.0582 9.0720 9.5303 9.5561 9.5868 9.6134 10.4251 10.4422 10.4961 10.5419 11.3345 11.3988 11.6941 11.7051 k = 0.1220 0.3678-0.0000 ( 4528 PWs) bands (ev): -3.1132 -3.1128 -3.1127 -3.1121 -1.3990 -1.3989 -1.3973 -1.3971 3.3699 3.3707 3.3988 3.3999 6.1901 6.2305 6.2558 6.2739 6.7132 6.7592 6.7865 6.8445 7.1056 7.1348 7.1515 7.2205 7.8455 7.8923 7.9033 7.9548 8.8059 8.8186 8.8247 8.8433 9.0091 9.0489 9.0514 9.0668 9.5382 9.5679 9.5872 9.6145 10.4745 10.4885 10.5597 10.6082 11.3426 11.4132 11.7166 11.7262 k = 0.1098 0.3678-0.0000 ( 4516 PWs) bands (ev): -3.1313 -3.1310 -3.1308 -3.1303 -1.4044 -1.4043 -1.4029 -1.4027 3.3490 3.3497 3.3744 3.3753 6.2467 6.2872 6.3050 6.3242 6.7670 6.8085 6.8462 6.9118 7.1218 7.1625 7.1738 7.2613 7.8493 7.9061 7.9162 7.9701 8.8167 8.8305 8.8346 8.8535 8.9996 9.0393 9.0431 9.0600 9.5431 9.5771 9.5842 9.6132 10.5280 10.5380 10.6248 10.6771 11.3489 11.4261 11.7363 11.7434 k = 0.0976 0.3678-0.0000 ( 4510 PWs) bands (ev): -3.1477 -3.1473 -3.1471 -3.1466 -1.4094 -1.4094 -1.4081 -1.4079 3.3302 3.3309 3.3523 3.3532 6.2998 6.3400 6.3514 6.3714 6.8113 6.8473 6.8927 6.9643 7.1440 7.1914 7.1987 7.3015 7.8590 7.9229 7.9339 7.9882 8.8262 8.8414 8.8431 8.8627 8.9888 9.0278 9.0334 9.0513 9.5454 9.5787 9.5840 9.6104 10.5843 10.5896 10.6892 10.7466 11.3535 11.4379 11.7517 11.7548 k = 0.0854 0.3678-0.0000 ( 4522 PWs) bands (ev): -3.1621 -3.1619 -3.1616 -3.1612 -1.4140 -1.4140 -1.4129 -1.4127 3.3136 3.3143 3.3326 3.3335 6.3490 6.3885 6.3946 6.4148 6.8462 6.8772 6.9258 6.9983 7.1748 7.2204 7.2252 7.3377 7.8756 7.9430 7.9567 8.0093 8.8342 8.8501 8.8510 8.8706 8.9771 9.0144 9.0226 9.0410 9.5455 9.5716 9.5887 9.6067 10.6419 10.6420 10.7507 10.8142 11.3571 11.4491 11.7583 11.7613 k = 0.0732 0.3678-0.0000 ( 4526 PWs) bands (ev): -3.1748 -3.1745 -3.1742 -3.1738 -1.4181 -1.4181 -1.4171 -1.4169 3.2993 3.3000 3.3153 3.3161 6.3942 6.4324 6.4341 6.4537 6.8727 6.9000 6.9470 7.0153 7.2120 7.2479 7.2515 7.3668 7.8997 7.9660 7.9842 8.0331 8.8403 8.8553 8.8595 8.8774 8.9654 8.9999 9.0112 9.0293 9.5440 9.5637 9.5918 9.6028 10.6937 10.6999 10.8068 10.8771 11.3612 11.4606 11.7519 11.7633 k = 0.0610 0.3678-0.0000 ( 4526 PWs) bands (ev): -3.1855 -3.1853 -3.1849 -3.1846 -1.4216 -1.4216 -1.4208 -1.4206 3.2873 3.2880 3.3005 3.3013 6.4349 6.4696 6.4711 6.4875 6.8925 6.9178 6.9586 7.0206 7.2503 7.2725 7.2753 7.3872 7.9300 7.9910 8.0150 8.0585 8.8444 8.8585 8.8666 8.8827 8.9544 8.9849 8.9996 9.0166 9.5416 9.5557 9.5934 9.5991 10.7436 10.7567 10.8550 10.9317 11.3682 11.4741 11.7342 11.7560 k = 0.0488 0.3678-0.0000 ( 4530 PWs) bands (ev): -3.1943 -3.1941 -3.1937 -3.1935 -1.4245 -1.4245 -1.4239 -1.4237 3.2777 3.2784 3.2881 3.2889 6.4706 6.5004 6.5038 6.5154 6.9073 6.9322 6.9631 7.0187 7.2857 7.2930 7.2951 7.3988 7.9638 8.0159 8.0471 8.0837 8.8462 8.8595 8.8724 8.8865 8.9453 8.9704 8.9888 9.0036 9.5386 9.5482 9.5939 9.5960 10.7903 10.8110 10.8929 10.9738 11.3815 11.4910 11.7055 11.7390 k = 0.0366 0.3678-0.0000 ( 4534 PWs) bands (ev): -3.2011 -3.2010 -3.2005 -3.2004 -1.4268 -1.4268 -1.4263 -1.4262 3.2704 3.2711 3.2782 3.2789 6.5009 6.5258 6.5300 6.5364 6.9188 6.9448 6.9625 7.0122 7.3089 7.3104 7.3164 7.4028 7.9975 8.0382 8.0777 8.1062 8.8462 8.8580 8.8769 8.8886 8.9388 8.9576 8.9797 8.9914 9.5357 9.5418 9.5937 9.5937 10.8326 10.8617 10.9188 10.9997 11.4041 11.5127 11.6677 11.7133 k = 0.0244 0.3678-0.0000 ( 4538 PWs) bands (ev): -3.2060 -3.2059 -3.2054 -3.2053 -1.4284 -1.4284 -1.4281 -1.4280 3.2656 3.2663 3.2707 3.2715 6.5252 6.5452 6.5489 6.5499 6.9283 6.9566 6.9584 7.0029 7.3201 7.3210 7.3422 7.4003 8.0271 8.0550 8.1038 8.1233 8.8454 8.8546 8.8805 8.8890 8.9353 8.9475 8.9731 8.9811 9.5333 9.5368 9.5923 9.5930 10.8693 10.9075 10.9316 11.0078 11.4372 11.5399 11.6232 11.6810 k = 0.0122 0.3678-0.0000 ( 4538 PWs) bands (ev): -3.2090 -3.2089 -3.2083 -3.2083 -1.4294 -1.4293 -1.4292 -1.4291 3.2632 3.2639 3.2658 3.2665 6.5428 6.5555 6.5577 6.5599 6.9368 6.9522 6.9683 6.9919 7.3267 7.3271 7.3633 7.3925 8.0493 8.0634 8.1228 8.1327 8.8453 8.8504 8.8834 8.8879 8.9345 8.9405 8.9696 8.9736 9.5319 9.5335 9.5916 9.5923 10.8991 10.9318 10.9470 10.9998 11.4789 11.5721 11.5751 11.6449 k = 0.0000 0.3678-0.0000 ( 4550 PWs) bands (ev): -3.2099 -3.2099 -3.2093 -3.2093 -1.4297 -1.4297 -1.4296 -1.4296 3.2633 3.2633 3.2640 3.2640 6.5531 6.5531 6.5628 6.5628 6.9448 6.9448 6.9802 6.9802 7.3290 7.3290 7.3800 7.3800 8.0617 8.0617 8.1327 8.1327 8.8469 8.8469 8.8859 8.8859 8.9362 8.9362 8.9697 8.9697 9.5319 9.5319 9.5917 9.5917 10.9204 10.9204 10.9785 10.9785 11.5260 11.5260 11.6078 11.6078 k = 0.0000 0.3678-0.0000 ( 4550 PWs) bands (ev): -3.2099 -3.2099 -3.2093 -3.2093 -1.4297 -1.4297 -1.4296 -1.4296 3.2633 3.2633 3.2640 3.2640 6.5531 6.5531 6.5628 6.5628 6.9448 6.9448 6.9802 6.9802 7.3290 7.3290 7.3800 7.3800 8.0617 8.0617 8.1327 8.1327 8.8469 8.8469 8.8859 8.8859 8.9362 8.9362 8.9697 8.9697 9.5319 9.5319 9.5917 9.5917 10.9204 10.9204 10.9785 10.9785 11.5260 11.5260 11.6078 11.6078 k = 0.0000 0.3556-0.0000 ( 4544 PWs) bands (ev): -3.2865 -3.2859 -3.1314 -3.1307 -1.4412 -1.4411 -1.4189 -1.4189 3.2610 3.2617 3.2710 3.2718 6.5298 6.5380 6.5681 6.5895 6.8551 6.8692 7.0123 7.0563 7.2740 7.3268 7.4058 7.4633 8.0200 8.0833 8.1024 8.1817 8.8413 8.8498 8.8808 8.8899 8.9315 8.9416 8.9597 8.9794 9.4822 9.5412 9.5826 9.6432 10.9048 10.9323 10.9680 10.9866 11.4912 11.5611 11.5844 11.6322 k = 0.0000 0.3433-0.0000 ( 4534 PWs) bands (ev): -3.3611 -3.3605 -3.0511 -3.0504 -1.4535 -1.4534 -1.4092 -1.4091 3.2642 3.2648 3.2844 3.2852 6.4831 6.5232 6.5813 6.6126 6.7354 6.7586 7.0521 7.0960 7.2405 7.2997 7.4997 7.5715 7.9776 8.0337 8.1420 8.2301 8.8328 8.8497 8.8747 8.8929 8.9274 8.9472 8.9494 8.9889 9.4338 9.4922 9.6338 9.6951 10.8862 10.9399 10.9547 10.9926 11.4570 11.5627 11.5960 11.6573 k = 0.0000 0.3311-0.0000 ( 4538 PWs) bands (ev): -3.4335 -3.4330 -2.9691 -2.9683 -1.4663 -1.4662 -1.4004 -1.4004 3.2727 3.2733 3.3035 3.3044 6.4086 6.5089 6.5569 6.6243 6.6281 6.6820 7.0650 7.1071 7.2268 7.2920 7.6022 7.6928 7.9344 7.9842 8.1805 8.2772 8.8214 8.8470 8.8673 8.8948 8.9239 8.9387 8.9530 8.9983 9.3869 9.4451 9.6849 9.7463 10.8656 10.9384 10.9428 10.9971 11.4243 11.5437 11.6304 11.6824 k = 0.0000 0.3188-0.0000 ( 4540 PWs) bands (ev): -3.5037 -3.5032 -2.8856 -2.8848 -1.4796 -1.4794 -1.3927 -1.3927 3.2863 3.2869 3.3283 3.3293 6.2982 6.4113 6.4958 6.6049 6.6253 6.6709 7.0575 7.1005 7.2279 7.2959 7.7054 7.8161 7.8918 7.9351 8.2179 8.3224 8.8070 8.8417 8.8587 8.8957 8.9211 8.9279 8.9587 9.0076 9.3417 9.4003 9.7352 9.7959 10.8441 10.9194 10.9411 11.0012 11.3940 11.5281 11.6641 11.7072 k = 0.0000 0.3065-0.0000 ( 4536 PWs) bands (ev): -3.5717 -3.5712 -2.8008 -2.8000 -1.4930 -1.4928 -1.3860 -1.3860 3.3048 3.3054 3.3589 3.3600 6.1615 6.2475 6.4830 6.5726 6.6394 6.6897 7.0387 7.0852 7.2356 7.3044 7.8023 7.8437 7.8888 7.9414 8.2540 8.3642 8.7896 8.8344 8.8487 8.8957 8.9174 8.9186 8.9643 9.0170 9.2984 9.3580 9.7838 9.8422 10.8232 10.8975 10.9353 11.0058 11.3672 11.5172 11.6970 11.7311 k = 0.0000 0.2943-0.0000 ( 4532 PWs) bands (ev): -3.6373 -3.6368 -2.7150 -2.7142 -1.5063 -1.5061 -1.3805 -1.3805 3.3280 3.3286 3.3951 3.3964 6.0105 6.0793 6.4711 6.5488 6.6542 6.7111 7.0151 7.0664 7.2442 7.3134 7.7999 7.8286 7.9066 8.0548 8.2891 8.4008 8.7694 8.8252 8.8369 8.8947 8.9078 8.9162 8.9693 9.0265 9.2568 9.3185 9.8294 9.8834 10.8038 10.8731 10.9268 11.0124 11.3456 11.5121 11.7286 11.7524 k = 0.0000 0.2820-0.0000 ( 4524 PWs) bands (ev): -3.7005 -3.7001 -2.6286 -2.6277 -1.5191 -1.5189 -1.3760 -1.3760 3.3557 3.3563 3.4371 3.4385 5.8522 5.9090 6.4602 6.5305 6.6682 6.7329 6.9896 7.0468 7.2511 7.3211 7.7551 7.7834 7.9884 8.1577 8.3233 8.4294 8.7469 8.8145 8.8235 8.8928 8.9001 8.9138 8.9736 9.0361 9.2172 9.2823 9.8710 9.9175 10.7864 10.8461 10.9184 11.0223 11.3308 11.5138 11.7581 11.7660 k = 0.0000 0.2698-0.0000 ( 4520 PWs) bands (ev): -3.7613 -3.7609 -2.5420 -2.5410 -1.5311 -1.5309 -1.3726 -1.3725 3.3876 3.3881 3.4847 3.4863 5.6899 5.7380 6.4501 6.5157 6.6807 6.7540 6.9637 7.0277 7.2552 7.3265 7.7101 7.7359 8.0648 8.2448 8.3576 8.4468 8.7237 8.8024 8.8084 8.8901 8.8950 8.9113 8.9767 9.0458 9.1794 9.2495 9.9070 9.9425 10.7694 10.8167 10.9149 11.0373 11.3246 11.5231 11.7595 11.7787 k = 0.0000 0.2575-0.0000 ( 4532 PWs) bands (ev): -3.8196 -3.8192 -2.4557 -2.4546 -1.5417 -1.5414 -1.3701 -1.3701 3.4233 3.4238 3.5379 3.5397 5.5257 5.5671 6.4409 6.5034 6.6908 6.7736 6.9388 7.0105 7.2558 7.3291 7.6653 7.6889 8.1336 8.3086 8.3942 8.4498 8.7032 8.7892 8.7924 8.8870 8.8931 8.9086 8.9781 9.0549 9.1438 9.2208 9.9360 9.9569 10.7498 10.7849 10.9223 11.0587 11.3285 11.5409 11.7377 11.7665 k = 0.0000 0.2452-0.0000 ( 4526 PWs) bands (ev): -3.8753 -3.8750 -2.3705 -2.3694 -1.5501 -1.5498 -1.3686 -1.3686 3.4626 3.4631 3.5965 3.5985 5.3611 5.3970 6.4326 6.4931 6.6976 6.7898 6.9172 6.9961 7.2526 7.3286 7.6208 7.6430 8.1954 8.3426 8.4326 8.4365 8.6912 8.7750 8.7760 8.8834 8.8943 8.9056 8.9772 9.0624 9.1115 9.1966 9.9571 9.9605 10.7251 10.7509 10.9447 11.0874 11.3436 11.5676 11.7136 11.7462 k = 0.0000 0.2330-0.0000 ( 4524 PWs) bands (ev): -3.9286 -3.9282 -2.2876 -2.2865 -1.5554 -1.5551 -1.3680 -1.3679 3.5050 3.5055 3.6605 3.6628 5.1971 5.2285 6.4253 6.4845 6.7001 6.7980 6.9031 6.9854 7.2452 7.3247 7.5768 7.5982 8.2506 8.3463 8.4063 8.4663 8.6935 8.7594 8.7607 8.8794 8.8980 8.9023 8.9736 9.0601 9.0910 9.1774 9.9541 9.9696 10.6954 10.7151 10.9820 11.1228 11.3703 11.6032 11.6916 11.7304 k = 0.0000 0.2207-0.0000 ( 4526 PWs) bands (ev): -3.9792 -3.9789 -2.2085 -2.2073 -1.5561 -1.5557 -1.3681 -1.3681 3.5500 3.5505 3.7297 3.7323 5.0346 5.0623 6.4188 6.4774 6.6977 6.7929 6.9020 6.9792 7.2336 7.3174 7.5334 7.5551 8.2979 8.3215 8.3624 8.4940 8.7066 8.7426 8.7490 8.8751 8.8987 8.9027 8.9673 9.0372 9.0929 9.1636 9.9395 9.9735 10.6622 10.6782 11.0313 11.1629 11.4084 11.6464 11.6751 11.7221 k = 0.0000 0.2084-0.0000 ( 4526 PWs) bands (ev): -4.0272 -4.0270 -2.1351 -2.1339 -1.5503 -1.5500 -1.3690 -1.3689 3.5971 3.5976 3.8041 3.8070 4.8746 4.8990 6.4131 6.4716 6.6900 6.7753 6.9126 6.9775 7.2176 7.3067 7.4907 7.5137 8.2732 8.2897 8.3553 8.5190 8.7103 8.7256 8.7529 8.8705 8.8943 8.9068 8.9590 9.0103 9.1017 9.1548 9.9185 9.9693 10.6273 10.6409 11.0881 11.2040 11.4572 11.6576 11.7052 11.7243 k = 0.0000 0.1962-0.0000 ( 4534 PWs) bands (ev): -4.0726 -4.0724 -2.0701 -2.0689 -1.5356 -1.5353 -1.3704 -1.3703 3.6455 3.6461 3.8833 3.8866 4.7180 4.7396 6.4081 6.4669 6.6770 6.7507 6.9295 6.9799 7.1973 7.2927 7.4488 7.4740 8.2076 8.2192 8.3945 8.5427 8.6977 8.7080 8.7727 8.8659 8.8887 8.9080 8.9502 8.9856 9.1122 9.1505 9.8932 9.9580 10.5918 10.6038 11.1467 11.2410 11.5150 11.6539 11.7410 11.7668 k = 0.0000 0.1839-0.0000 ( 4543 PWs) bands (ev): -4.1154 -4.1151 -2.0161 -2.0149 -1.5097 -1.5095 -1.3724 -1.3723 3.6941 3.6948 3.9673 3.9710 4.5661 4.5853 6.4036 6.4632 6.6595 6.7226 6.9491 6.9855 7.1732 7.2756 7.4076 7.4359 8.1298 8.1359 8.4334 8.5650 8.6813 8.6898 8.7925 8.8612 8.8814 8.9036 8.9428 8.9664 9.1236 9.1500 9.8650 9.9407 10.5569 10.5677 11.2006 11.2696 11.5795 11.6617 11.7757 11.8369 k = 0.0000 0.1717-0.0000 ( 4539 PWs) bands (ev): -4.1554 -4.1552 -1.9748 -1.9738 -1.4711 -1.4710 -1.3747 -1.3746 3.7411 3.7420 4.0558 4.0600 4.4211 4.4380 6.3995 6.4600 6.6381 6.6923 6.9697 6.9934 7.1456 7.2560 7.3671 7.3993 8.0436 8.0446 8.4703 8.5842 8.6657 8.6712 8.8076 8.8567 8.8725 8.8915 8.9383 8.9548 9.1360 9.1526 9.8350 9.9186 10.5234 10.5332 11.2435 11.2873 11.6480 11.6859 11.8299 11.9138 k = 0.0000 0.1594-0.0000 ( 4535 PWs) bands (ev): -4.1928 -4.1926 -1.9461 -1.9452 -1.4203 -1.4202 -1.3774 -1.3773 3.7826 3.7840 4.1487 4.1534 4.2870 4.3015 6.3953 6.4569 6.6134 6.6605 6.9903 7.0024 7.1153 7.2345 7.3270 7.3636 7.9477 7.9517 8.5051 8.5962 8.6522 8.6561 8.8163 8.8522 8.8632 8.8736 8.9365 8.9491 9.1492 9.1578 9.8042 9.8929 10.4918 10.5007 11.2711 11.2944 11.7187 11.7289 11.9003 11.9951 k = 0.0000 0.1471-0.0000 ( 4525 PWs) bands (ev): -4.2274 -4.2273 -1.9281 -1.9274 -1.3803 -1.3802 -1.3598 -1.3596 3.8093 3.8118 4.1728 4.1848 4.2461 4.2509 6.3903 6.4528 6.5861 6.6281 7.0105 7.0111 7.0831 7.2119 7.2871 7.3285 7.8479 7.8568 8.5380 8.5942 8.6331 8.6594 8.8173 8.8477 8.8538 8.8565 8.9364 8.9459 9.1630 9.1654 9.7732 9.8644 10.4624 10.4706 11.2838 11.2933 11.7888 11.7906 11.9785 12.0186 k = 0.0000 0.1349-0.0000 ( 4525 PWs) bands (ev): -4.2594 -4.2592 -1.9182 -1.9175 -1.3833 -1.3833 -1.2927 -1.2923 3.7997 3.8048 4.1009 4.1087 4.3468 4.3524 6.3833 6.4458 6.5572 6.5961 7.0184 7.0290 7.0505 7.1893 7.2473 7.2934 7.7478 7.7614 8.5690 8.5814 8.6143 8.6729 8.8109 8.8337 8.8438 8.8539 8.9367 8.9433 9.1749 9.1772 9.7426 9.8341 10.4355 10.4429 11.2851 11.2864 11.8608 11.8623 12.0336 12.0382 k = 0.0000 0.1226-0.0000 ( 4525 PWs) bands (ev): -4.2886 -4.2884 -1.9137 -1.9132 -1.3864 -1.3863 -1.2221 -1.2216 3.7378 3.7452 4.0872 4.0912 4.4513 4.4575 6.3719 6.4321 6.5283 6.5673 7.0133 7.0225 7.0505 7.1683 7.2077 7.2579 7.6503 7.6683 8.5650 8.5890 8.6052 8.6894 8.8005 8.8150 8.8397 8.8537 8.9365 8.9406 9.1859 9.1917 9.7127 9.8027 10.4112 10.4179 11.2759 11.2791 11.9304 11.9398 12.0477 12.0719 k = 0.0000 0.1104-0.0000 ( 4525 PWs) bands (ev): -4.3150 -4.3149 -1.9128 -1.9124 -1.3894 -1.3894 -1.1506 -1.1501 3.6450 3.6529 4.1103 4.1127 4.5591 4.5660 6.3522 6.4067 6.5026 6.5456 6.9792 7.0211 7.0675 7.1500 7.1693 7.2215 7.5586 7.5803 8.5482 8.5740 8.6304 8.7061 8.7892 8.7979 8.8358 8.8544 8.9350 8.9374 9.1983 9.2061 9.6841 9.7709 10.3895 10.3955 11.2633 11.2688 11.9884 12.0200 12.0626 12.1075 k = 0.0000 0.0981-0.0000 ( 4529 PWs) bands (ev): -4.3387 -4.3386 -1.9141 -1.9137 -1.3924 -1.3923 -1.0805 -1.0800 3.5448 3.5523 4.1470 4.1487 4.6699 4.6776 6.3196 6.3661 6.4833 6.5330 6.9453 7.0117 7.0836 7.1269 7.1423 7.1838 7.4759 7.5002 8.5321 8.5565 8.6578 8.7218 8.7784 8.7825 8.8321 8.8555 8.9319 8.9339 9.2113 9.2202 9.6572 9.7393 10.3705 10.3758 11.2500 11.2564 12.0294 12.0659 12.1106 12.1557 k = 0.0000 0.0858-0.0000 ( 4533 PWs) bands (ev): -4.3596 -4.3595 -1.9166 -1.9163 -1.3951 -1.3951 -1.0137 -1.0131 3.4478 3.4544 4.1872 4.1885 4.7833 4.7918 6.2720 6.3112 6.4718 6.5270 6.9124 6.9933 7.0929 7.0979 7.1342 7.1452 7.4049 7.4302 8.5174 8.5397 8.6844 8.7353 8.7691 8.7694 8.8286 8.8570 8.9272 8.9298 9.2248 9.2338 9.6324 9.7085 10.3541 10.3587 11.2367 11.2433 12.0550 12.0781 12.1890 12.2142 k = 0.0000 0.0736-0.0000 ( 4535 PWs) bands (ev): -4.3778 -4.3777 -1.9197 -1.9195 -1.3976 -1.3976 -0.9518 -0.9512 3.3582 3.3640 4.2266 4.2277 4.8988 4.9083 6.2101 6.2438 6.4666 6.5243 6.8816 6.9674 7.0617 7.1066 7.1104 7.1314 7.3474 7.3719 8.5043 8.5243 8.7101 8.7435 8.7576 8.7654 8.8252 8.8591 8.9208 8.9254 9.2382 9.2466 9.6102 9.6789 10.3402 10.3442 11.2242 11.2303 12.0719 12.0871 12.2649 12.2749 k = 0.0000 0.0613-0.0000 ( 4523 PWs) bands (ev): -4.3931 -4.3931 -1.9229 -1.9227 -1.3999 -1.3998 -0.8963 -0.8958 3.2789 3.2837 4.2630 4.2639 5.0160 5.0265 6.1357 6.1653 6.4655 6.5224 6.8542 6.9371 7.0351 7.0704 7.1205 7.1306 7.3032 7.3257 8.4933 8.5105 8.7345 8.7424 8.7482 8.7704 8.8219 8.8617 8.9129 8.9207 9.2511 9.2583 9.5912 9.6513 10.3288 10.3321 11.2129 11.2183 12.0841 12.0945 12.3324 12.3350 k = 0.0000 0.0490-0.0000 ( 4515 PWs) bands (ev): -4.4057 -4.4057 -1.9258 -1.9256 -1.4017 -1.4017 -0.8487 -0.8482 3.2116 3.2154 4.2947 4.2954 5.1341 5.1456 6.0506 6.0770 6.4673 6.5198 6.8320 6.9059 7.0131 7.0385 7.1278 7.1302 7.2711 7.2910 8.4844 8.4985 8.7376 8.7400 8.7585 8.7788 8.8186 8.8647 8.9036 8.9155 9.2628 9.2686 9.5758 9.6260 10.3197 10.3223 11.2032 11.2078 12.0932 12.1004 12.3836 12.3970 k = 0.0000 0.0368-0.0000 ( 4509 PWs) bands (ev): -4.4155 -4.4154 -1.9283 -1.9282 -1.4032 -1.4032 -0.8101 -0.8097 3.1577 3.1606 4.3206 4.3212 5.2520 5.2647 5.9569 5.9806 6.4714 6.5154 6.8164 6.8767 6.9959 7.0127 7.1297 7.1319 7.2498 7.2663 8.4778 8.4886 8.7329 8.7341 8.7807 8.7868 8.8154 8.8671 8.8939 8.9101 9.2730 9.2772 9.5646 9.6037 10.3128 10.3147 11.1955 11.1990 12.1000 12.1049 12.4267 12.4484 k = 0.0000 0.0245-0.0000 ( 4509 PWs) bands (ev): -4.4225 -4.4224 -1.9301 -1.9301 -1.4043 -1.4043 -0.7817 -0.7814 3.1185 3.1204 4.3398 4.3402 5.3680 5.3815 5.8579 5.8786 6.4772 6.5091 6.8087 6.8514 6.9837 6.9936 7.1293 7.1330 7.2375 7.2496 8.4736 8.4809 8.7293 8.7299 8.7936 8.8017 8.8121 8.8651 8.8876 8.9044 9.2810 9.2836 9.5582 9.5850 10.3080 10.3093 11.1900 11.1924 12.1049 12.1079 12.4606 12.4854 k = 0.0000 0.0123-0.0000 ( 4507 PWs) bands (ev): -4.4267 -4.4267 -1.9313 -1.9312 -1.4050 -1.4050 -0.7642 -0.7641 3.0948 3.0958 4.3516 4.3518 5.4764 5.4893 5.7611 5.7775 6.4845 6.5012 6.8089 6.8311 6.9769 6.9815 7.1295 7.1320 7.2327 7.2390 8.4717 8.4754 8.7272 8.7274 8.7993 8.8082 8.8215 8.8547 8.8885 8.8986 9.2862 9.2874 9.5570 9.5707 10.3053 10.3059 11.1869 11.1881 12.1080 12.1095 12.4853 12.5026 k = 0.0000 0.0000 0.0000 ( 4511 PWs) bands (ev): -4.4281 -4.4281 -1.9317 -1.9317 -1.4052 -1.4052 -0.7583 -0.7583 3.0872 3.0872 4.3557 4.3557 5.5445 5.5445 5.7106 5.7106 6.4927 6.4927 6.8166 6.8166 6.9760 6.9760 7.1305 7.1305 7.2335 7.2335 8.4724 8.4724 8.7265 8.7265 8.8041 8.8041 8.8393 8.8393 8.8930 8.8930 9.2883 9.2883 9.5612 9.5612 10.3046 10.3046 11.1863 11.1863 12.1095 12.1095 12.5003 12.5003 k = 0.0000 0.0000 0.0000 ( 4511 PWs) bands (ev): -4.4281 -4.4281 -1.9317 -1.9317 -1.4052 -1.4052 -0.7583 -0.7583 3.0872 3.0872 4.3557 4.3557 5.5445 5.5445 5.7106 5.7106 6.4927 6.4927 6.8166 6.8166 6.9760 6.9760 7.1305 7.1305 7.2335 7.2335 8.4724 8.4724 8.7265 8.7265 8.8041 8.8041 8.8393 8.8393 8.8930 8.8930 9.2883 9.2883 9.5612 9.5612 10.3046 10.3046 11.1863 11.1863 12.1095 12.1095 12.5003 12.5003 k = 0.0000 0.0000 0.0119 ( 4503 PWs) bands (ev): -4.4268 -4.4268 -1.9425 -1.9424 -1.3961 -1.3960 -0.7580 -0.7580 3.0886 3.0886 4.3570 4.3572 5.5449 5.5483 5.7049 5.7071 6.4895 6.4940 6.7879 6.8365 6.9215 7.0187 7.1187 7.1442 7.2358 7.2616 8.4719 8.4748 8.7153 8.7265 8.8046 8.8058 8.8393 8.8417 8.8919 8.8945 9.2874 9.2876 9.5530 9.5705 10.3039 10.3050 11.1752 11.1889 12.1045 12.1138 12.4960 12.4973 k = 0.0000 0.0000 0.0238 ( 4511 PWs) bands (ev): -4.4231 -4.4231 -1.9728 -1.9726 -1.3708 -1.3707 -0.7570 -0.7570 3.0930 3.0931 4.3612 4.3615 5.5489 5.5562 5.6900 5.6950 6.4845 6.4926 6.7544 6.8314 6.8832 7.0315 7.1217 7.1542 7.2698 7.3132 8.4734 8.4790 8.6947 8.7159 8.8059 8.8086 8.8413 8.8463 8.8911 8.8959 9.2846 9.2852 9.5461 9.5805 10.3028 10.3050 11.1560 11.1827 12.0992 12.1166 12.4805 12.4835 k = 0.0000 0.0000 0.0357 ( 4515 PWs) bands (ev): -4.4169 -4.4169 -2.0181 -2.0178 -1.3339 -1.3337 -0.7554 -0.7554 3.1003 3.1004 4.3684 4.3688 5.5548 5.5672 5.6671 5.6761 6.4776 6.4873 6.7209 6.7872 6.8821 7.0242 7.1321 7.1627 7.3297 7.3792 8.4769 8.4852 8.6676 8.6976 8.8066 8.8104 8.8447 8.8521 8.8912 8.8972 9.2799 9.2813 9.5408 9.5908 10.3013 10.3046 11.1292 11.1677 12.0938 12.1172 12.4462 12.4490 k = 0.0000 0.0000 0.0475 ( 4517 PWs) bands (ev): -4.4083 -4.4083 -2.0736 -2.0734 -1.2899 -1.2897 -0.7532 -0.7532 3.1105 3.1105 4.3785 4.3791 5.5573 5.5766 5.6414 5.6561 6.4679 6.4762 6.6920 6.7394 6.8871 7.0129 7.1417 7.1718 7.4040 7.4534 8.4822 8.4930 8.6356 8.6737 8.8057 8.8098 8.8492 8.8578 8.8925 8.8984 9.2735 9.2759 9.5369 9.6008 10.2996 10.3040 11.0952 11.1438 12.0880 12.1141 12.3935 12.3949 k = 0.0000 0.0000 0.0594 ( 4521 PWs) bands (ev): -4.3972 -4.3971 -2.1362 -2.1359 -1.2422 -1.2420 -0.7505 -0.7504 3.1234 3.1235 4.3917 4.3925 5.5439 5.5631 5.6344 5.6478 6.4547 6.4582 6.6711 6.6983 6.8907 7.0021 7.1508 7.1820 7.4846 7.5319 8.4893 8.5025 8.5998 8.6452 8.8027 8.8062 8.8546 8.8626 8.8957 8.8994 9.2653 9.2692 9.5343 9.6102 10.2976 10.3032 11.0546 11.1115 12.0803 12.1044 12.3283 12.3372 k = 0.0000 0.0000 0.0713 ( 4523 PWs) bands (ev): -4.3836 -4.3836 -2.2036 -2.2032 -1.1930 -1.1928 -0.7471 -0.7471 3.1390 3.1391 4.4080 4.4092 5.5079 5.5203 5.6533 5.6590 6.4337 6.4370 6.6593 6.6664 6.8923 6.9923 7.1604 7.1938 7.5673 7.6121 8.4981 8.5130 8.5617 8.6131 8.7971 8.7989 8.8608 8.8660 8.9004 8.9010 9.2557 9.2613 9.5327 9.6183 10.2953 10.3022 11.0082 11.0715 12.0678 12.0841 12.2640 12.2842 k = 0.0000 0.0000 0.0832 ( 4525 PWs) bands (ev): -4.3676 -4.3675 -2.2741 -2.2738 -1.1438 -1.1436 -0.7432 -0.7432 3.1572 3.1573 4.4275 4.4290 5.4568 5.4649 5.6825 5.6827 6.4046 6.4148 6.6438 6.6551 6.8923 6.9834 7.1711 7.2072 7.6494 7.6915 8.5083 8.5134 8.5328 8.5781 8.7874 8.7887 8.8676 8.8680 8.9018 8.9088 9.2448 9.2524 9.5318 9.6249 10.2929 10.3011 10.9569 11.0247 12.0441 12.0489 12.2113 12.2444 k = 0.0000 0.0000 0.0951 ( 4521 PWs) bands (ev): -4.3491 -4.3491 -2.3469 -2.3465 -1.0956 -1.0953 -0.7388 -0.7388 3.1780 3.1781 4.4502 4.4520 5.3972 5.4028 5.7137 5.7172 6.3732 6.3889 6.6294 6.6564 6.8908 6.9749 7.1832 7.2223 7.7289 7.7679 8.4751 8.5174 8.5425 8.5430 8.7716 8.7771 8.8691 8.8744 8.9044 8.9188 9.2328 9.2425 9.5314 9.6294 10.2905 10.3000 10.9018 10.9725 12.0004 12.0037 12.1785 12.2194 k = 0.0000 0.0000 0.1070 ( 4535 PWs) bands (ev): -4.3282 -4.3282 -2.4211 -2.4207 -1.0490 -1.0487 -0.7340 -0.7339 3.2011 3.2013 4.4757 4.4779 5.3323 5.3362 5.7498 5.7561 6.3407 6.3605 6.6213 6.6615 6.8880 6.9666 7.1970 7.2392 7.8038 7.8387 8.4331 8.4954 8.5381 8.5570 8.7517 8.7624 8.8693 8.8797 8.9094 8.9307 9.2199 9.2318 9.5309 9.6317 10.2881 10.2989 10.8444 10.9166 11.9455 11.9506 12.1631 12.2043 k = 0.0000 0.0000 0.1189 ( 4543 PWs) bands (ev): -4.3049 -4.3049 -2.4962 -2.4959 -1.0045 -1.0043 -0.7288 -0.7287 3.2265 3.2268 4.5035 4.5063 5.2646 5.2673 5.7900 5.7987 6.3082 6.3305 6.6179 6.6692 6.8841 6.9584 7.2124 7.2578 7.8721 7.9003 8.3929 8.4542 8.5518 8.5728 8.7284 8.7448 8.8691 8.8827 8.9177 8.9444 9.2065 9.2206 9.5301 9.6315 10.2857 10.2980 10.7864 10.8587 11.8902 11.8939 12.1573 12.1942 k = 0.0000 0.0000 0.1307 ( 4539 PWs) bands (ev): -4.2792 -4.2792 -2.5719 -2.5716 -0.9625 -0.9623 -0.7232 -0.7231 3.2542 3.2545 4.5326 4.5360 5.1964 5.1982 5.8335 5.8444 6.2759 6.2999 6.6178 6.6787 6.8794 6.9501 7.2296 7.2782 7.9312 7.9477 8.3581 8.4104 8.5675 8.5891 8.7031 8.7251 8.8686 8.8838 8.9291 8.9597 9.1927 9.2091 9.5289 9.6287 10.2836 10.2974 10.7294 10.8006 11.8383 11.8391 12.1555 12.1862 k = 0.0000 0.0000 0.1426 ( 4536 PWs) bands (ev): -4.2512 -4.2511 -2.6477 -2.6474 -0.9231 -0.9229 -0.7174 -0.7173 3.2841 3.2845 4.5613 4.5654 5.1307 5.1317 5.8794 5.8924 6.2445 6.2694 6.6202 6.6897 6.8739 6.9417 7.2486 7.3004 7.9744 7.9777 8.3332 8.3653 8.5844 8.6054 8.6780 8.7047 8.8681 8.8837 8.9424 8.9762 9.1788 9.1975 9.5270 9.6231 10.2819 10.2972 10.6752 10.7442 11.7890 11.7915 12.1549 12.1786 k = 0.0000 0.0000 0.1545 ( 4540 PWs) bands (ev): -4.2207 -4.2206 -2.7235 -2.7231 -0.8866 -0.8864 -0.7114 -0.7113 3.3163 3.3167 4.5859 4.5908 5.0715 5.0720 5.9261 5.9414 6.2149 6.2400 6.6244 6.7018 6.8676 6.9329 7.2692 7.3243 7.9748 8.0080 8.3191 8.3207 8.6019 8.6206 8.6567 8.6869 8.8675 8.8831 8.9569 8.9937 9.1649 9.1863 9.5240 9.6148 10.2805 10.2975 10.6253 10.6907 11.7448 11.7505 12.1536 12.1701 k = 0.0000 0.0000 0.1664 ( 4540 PWs) bands (ev): -4.1879 -4.1878 -2.7989 -2.7986 -0.8530 -0.8528 -0.7052 -0.7052 3.3505 3.3510 4.6009 4.6064 5.0252 5.0255 5.9703 5.9884 6.1900 6.2146 6.6300 6.7148 6.8607 6.9237 7.2917 7.3499 7.9497 8.0179 8.2722 8.3163 8.6197 8.6320 8.6429 8.6772 8.8671 8.8822 8.9715 9.0116 9.1516 9.1762 9.5198 9.6039 10.2797 10.2984 10.5807 10.6414 11.7074 11.7161 12.1501 12.1600 k = 0.0000 0.0000 0.1783 ( 4532 PWs) bands (ev): -4.1528 -4.1527 -2.8738 -2.8734 -0.8223 -0.8222 -0.6991 -0.6990 3.3870 3.3876 4.5987 4.6043 4.9997 5.0003 6.0035 6.0255 6.1778 6.2007 6.6367 6.7288 6.8532 6.9141 7.3158 7.3770 7.9051 8.0054 8.2248 8.3100 8.6354 8.6385 8.6417 8.6809 8.8669 8.8814 8.9856 9.0289 9.1398 9.1679 9.5142 9.5905 10.2795 10.2999 10.5420 10.5968 11.6771 11.6883 12.1431 12.1472 k = 0.0000 0.0000 0.1902 ( 4538 PWs) bands (ev): -4.1154 -4.1152 -2.9479 -2.9476 -0.7947 -0.7945 -0.6930 -0.6930 3.4256 3.4263 4.5743 4.5795 4.9998 5.0016 6.0120 6.0377 6.1917 6.2129 6.6443 6.7437 6.8451 6.9040 7.3413 7.4054 7.8474 7.9709 8.1768 8.2936 8.6440 8.6464 8.6575 8.6933 8.8670 8.8806 8.9977 9.0437 9.1313 9.1626 9.5068 9.5747 10.2801 10.3022 10.5095 10.5573 11.6543 11.6673 12.1312 12.1316 k = 0.0000 0.0000 0.2021 ( 4536 PWs) bands (ev): -4.0757 -4.0755 -3.0212 -3.0209 -0.7700 -0.7698 -0.6871 -0.6871 3.4665 3.4672 4.5302 4.5347 5.0233 5.0267 5.9944 6.0217 6.2325 6.2545 6.6526 6.7597 6.8366 6.8933 7.3681 7.4347 7.7812 7.9177 8.1285 8.2649 8.6584 8.6605 8.6755 8.7088 8.8675 8.8802 9.0065 9.0520 9.1300 9.1618 9.4976 9.5568 10.2816 10.3053 10.4827 10.5227 11.6391 11.6533 12.1113 12.1148 k = 0.0000 0.0000 0.2139 ( 4538 PWs) bands (ev): -4.0337 -4.0336 -3.0935 -3.0932 -0.7481 -0.7480 -0.6815 -0.6815 3.5096 3.5104 4.4732 4.4770 5.0633 5.0683 5.9622 5.9896 6.2882 6.3130 6.6616 6.7771 6.8277 6.8820 7.3959 7.4635 7.7103 7.8505 8.0801 8.2257 8.6772 8.6793 8.6933 8.7250 8.8686 8.8802 9.0105 9.0506 9.1390 9.1666 9.4863 9.5371 10.2840 10.3093 10.4609 10.4927 11.6316 11.6462 12.0874 12.0928 k = 0.0000 0.0000 0.2258 ( 4530 PWs) bands (ev): -3.9896 -3.9894 -3.1646 -3.1643 -0.7291 -0.7290 -0.6763 -0.6763 3.5550 3.5559 4.4090 4.4122 5.1137 5.1203 5.9224 5.9495 6.3510 6.3802 6.6711 6.7963 6.8185 6.8700 7.4235 7.4864 7.6416 7.7740 8.0319 8.1796 8.6972 8.7000 8.7111 8.7411 8.8705 8.8808 9.0094 9.0417 9.1561 9.1774 9.4728 9.5158 10.2876 10.3142 10.4434 10.4667 11.6318 11.6461 12.0598 12.0658 k = 0.0000 0.0000 0.2377 ( 4524 PWs) bands (ev): -3.9432 -3.9431 -3.2345 -3.2342 -0.7127 -0.7127 -0.6717 -0.6716 3.6027 3.6038 4.3413 4.3441 5.1705 5.1789 5.8780 5.9044 6.4172 6.4527 6.6810 6.8090 6.8180 6.8572 7.4483 7.4788 7.6007 7.6945 7.9841 8.1292 8.7158 8.7202 8.7289 8.7564 8.8734 8.8825 9.0038 9.0288 9.1775 9.1934 9.4573 9.4931 10.2923 10.3200 10.4290 10.4439 11.6393 11.6527 12.0286 12.0346 k = 0.0000 0.0000 0.2496 ( 4526 PWs) bands (ev): -3.8948 -3.8946 -3.3030 -3.3027 -0.6989 -0.6989 -0.6677 -0.6677 3.6528 3.6539 4.2722 4.2747 5.2312 5.2413 5.8299 5.8555 6.4843 6.5291 6.6914 6.7995 6.8404 6.8466 7.4177 7.4600 7.6116 7.6247 7.9369 8.0767 8.7317 8.7384 8.7458 8.7701 8.8778 8.8856 8.9951 9.0140 9.2011 9.2132 9.4397 9.4692 10.2984 10.3266 10.4168 10.4237 11.6538 11.6658 11.9946 12.0000 k = 0.0000 0.0000 0.2615 ( 4526 PWs) bands (ev): -3.8442 -3.8440 -3.3700 -3.3697 -0.6876 -0.6875 -0.6646 -0.6645 3.7053 3.7065 4.2030 4.2053 5.2942 5.3061 5.7788 5.8032 6.5497 6.6080 6.7025 6.7903 6.8275 6.8758 7.3345 7.4305 7.5951 7.6441 7.8905 8.0235 8.7452 8.7541 8.7603 8.7815 8.8843 8.8907 8.9842 8.9984 9.2259 9.2358 9.4202 9.4443 10.3056 10.3339 10.4056 10.4061 11.6746 11.6848 11.9583 11.9628 k = 0.0000 0.0000 0.2734 ( 4524 PWs) bands (ev): -3.7916 -3.7914 -3.4355 -3.4352 -0.6785 -0.6784 -0.6624 -0.6623 3.7601 3.7614 4.1346 4.1367 5.3583 5.3719 5.7248 5.7481 6.6102 6.6836 6.7176 6.7837 6.8106 6.9158 7.2449 7.3585 7.6091 7.6832 7.8449 7.9705 8.7565 8.7671 8.7709 8.7895 8.8934 8.8981 8.9719 8.9822 9.2514 9.2603 9.3991 9.4187 10.3141 10.3418 10.3891 10.3962 11.7009 11.7092 11.9206 11.9237 k = 0.0000 0.0000 0.2852 ( 4520 PWs) bands (ev): -3.7369 -3.7367 -3.4993 -3.4991 -0.6715 -0.6714 -0.6613 -0.6613 3.8172 3.8186 4.0674 4.0693 5.4225 5.4379 5.6683 5.6902 6.6629 6.7176 6.7504 6.7912 6.8035 6.9669 7.1529 7.2730 7.6396 7.7259 7.8005 7.9184 8.7658 8.7771 8.7777 8.7937 8.9050 8.9078 8.9590 8.9659 9.2771 9.2859 9.3765 9.3924 10.3238 10.3503 10.3738 10.3867 11.7320 11.7382 11.8821 11.8837 k = 0.0000 0.0000 0.2971 ( 4522 PWs) bands (ev): -3.6803 -3.6801 -3.5615 -3.5612 -0.6664 -0.6664 -0.6615 -0.6615 3.8766 3.8781 4.0019 4.0036 5.4862 5.5033 5.6095 5.6299 6.7063 6.7301 6.7498 6.7684 6.8805 7.0302 7.0606 7.1866 7.6761 7.7573 7.7711 7.8676 8.7729 8.7791 8.7858 8.7942 8.9186 8.9194 8.9456 8.9497 9.3028 9.3123 9.3527 9.3658 10.3347 10.3591 10.3597 10.3774 11.7668 11.7709 11.8436 11.8438 k = 0.0000 0.0000 0.3090 ( 4526 PWs) bands (ev): -3.6218 -3.6218 -3.6216 -3.6216 -0.6632 -0.6632 -0.6631 -0.6631 3.9382 3.9382 3.9399 3.9399 5.5486 5.5486 5.5674 5.5674 6.7407 6.7407 6.7408 6.7408 6.9691 6.9691 7.1044 7.1044 7.7156 7.7156 7.8184 7.8184 8.7775 8.7775 8.7914 8.7914 8.9322 8.9322 8.9337 8.9337 9.3280 9.3280 9.3389 9.3389 10.3467 10.3467 10.3682 10.3682 11.8043 11.8043 11.8064 11.8064 k = 0.0000 0.0000 0.3090 ( 4526 PWs) bands (ev): -3.6218 -3.6218 -3.6216 -3.6216 -0.6632 -0.6632 -0.6631 -0.6631 3.9382 3.9382 3.9399 3.9399 5.5486 5.5486 5.5674 5.5674 6.7407 6.7407 6.7408 6.7408 6.9691 6.9691 7.1044 7.1044 7.7156 7.7156 7.8184 7.8184 8.7775 8.7775 8.7914 8.7914 8.9322 8.9322 8.9337 8.9337 9.3280 9.3280 9.3389 9.3389 10.3467 10.3467 10.3682 10.3682 11.8043 11.8043 11.8064 11.8064 k = 0.0122-0.0000 0.3090 ( 4518 PWs) bands (ev): -3.6208 -3.6208 -3.6206 -3.6206 -0.6632 -0.6632 -0.6630 -0.6630 3.9386 3.9402 3.9402 3.9417 5.5482 5.5493 5.5667 5.5685 6.7331 6.7346 6.7390 6.7398 6.9655 6.9656 7.0887 7.1109 7.6999 7.7315 7.8066 7.8291 8.7721 8.7806 8.7849 8.7951 8.9230 8.9346 8.9362 8.9452 9.3290 9.3304 9.3381 9.3430 10.3459 10.3544 10.3650 10.3786 11.7878 11.7915 11.8133 11.8212 k = 0.0244-0.0000 0.3090 ( 4530 PWs) bands (ev): -3.6177 -3.6177 -3.6175 -3.6175 -0.6633 -0.6632 -0.6628 -0.6628 3.9411 3.9428 3.9443 3.9458 5.5479 5.5502 5.5661 5.5698 6.7170 6.7204 6.7292 6.7297 6.9552 6.9554 7.0652 7.1075 7.6856 7.7463 7.7943 7.8380 8.7648 8.7765 8.7807 8.7941 8.9192 8.9388 8.9415 8.9601 9.3330 9.3360 9.3404 9.3499 10.3521 10.3689 10.3691 10.3962 11.7651 11.7747 11.8185 11.8325 k = 0.0366-0.0000 0.3090 ( 4522 PWs) bands (ev): -3.6125 -3.6125 -3.6123 -3.6123 -0.6633 -0.6632 -0.6625 -0.6625 3.9458 3.9476 3.9507 3.9521 5.5477 5.5511 5.5657 5.5712 6.6923 6.6980 6.7096 6.7108 6.9396 6.9397 7.0358 7.0946 7.6743 7.7596 7.7827 7.8451 8.7559 8.7671 8.7776 8.7879 8.9216 8.9462 8.9490 8.9753 9.3397 9.3446 9.3457 9.3595 10.3652 10.3803 10.3899 10.4207 11.7379 11.7537 11.8197 11.8403 k = 0.0488-0.0000 0.3090 ( 4518 PWs) bands (ev): -3.6053 -3.6053 -3.6051 -3.6051 -0.6632 -0.6631 -0.6622 -0.6621 3.9526 3.9545 3.9593 3.9607 5.5472 5.5517 5.5651 5.5724 6.6589 6.6669 6.6785 6.6833 6.9200 6.9206 7.0029 7.0737 7.6665 7.7710 7.7724 7.8505 8.7455 8.7565 8.7711 8.7768 8.9290 8.9557 8.9578 8.9899 9.3487 9.3536 9.3556 9.3710 10.3850 10.3985 10.4169 10.4517 11.7057 11.7283 11.8164 11.8447 k = 0.0610-0.0000 0.3090 ( 4514 PWs) bands (ev): -3.5961 -3.5960 -3.5959 -3.5958 -0.6631 -0.6631 -0.6619 -0.6618 3.9615 3.9635 3.9701 3.9715 5.5462 5.5518 5.5639 5.5731 6.6170 6.6270 6.6362 6.6464 6.8979 6.9002 6.9687 7.0470 7.6623 7.7639 7.7808 7.8545 8.7335 8.7449 8.7617 8.7621 8.9391 8.9662 8.9670 9.0028 9.3592 9.3635 9.3684 9.3839 10.4113 10.4232 10.4493 10.4886 11.6682 11.6981 11.8076 11.8451 k = 0.0732-0.0000 0.3090 ( 4530 PWs) bands (ev): -3.5849 -3.5847 -3.5846 -3.5845 -0.6631 -0.6630 -0.6616 -0.6615 3.9725 3.9746 3.9831 3.9845 5.5441 5.5507 5.5616 5.5726 6.5675 6.5788 6.5836 6.6005 6.8745 6.8796 6.9351 7.0169 7.6612 7.7574 7.7891 7.8576 8.7199 8.7319 8.7450 8.7495 8.9502 8.9758 8.9766 9.0138 9.3707 9.3746 9.3823 9.3974 10.4435 10.4538 10.4860 10.5306 11.6252 11.6631 11.7914 11.8405 k = 0.0854-0.0000 0.3090 ( 4538 PWs) bands (ev): -3.5716 -3.5715 -3.5714 -3.5713 -0.6631 -0.6630 -0.6614 -0.6613 3.9854 3.9876 3.9983 3.9996 5.5403 5.5476 5.5574 5.5702 6.5120 6.5231 6.5235 6.5469 6.8505 6.8592 6.9032 6.9855 7.6627 7.7527 7.7964 7.8601 8.7048 8.7176 8.7263 8.7351 8.9606 8.9836 8.9859 9.0223 9.3826 9.3863 9.3965 9.4109 10.4808 10.4895 10.5260 10.5765 11.5769 11.6235 11.7655 11.8281 k = 0.0976-0.0000 0.3090 ( 4544 PWs) bands (ev): -3.5564 -3.5562 -3.5561 -3.5561 -0.6633 -0.6632 -0.6613 -0.6612 4.0001 4.0024 4.0156 4.0169 5.5336 5.5415 5.5504 5.5646 6.4528 6.4577 6.4630 6.4879 6.8263 6.8390 6.8730 6.9542 7.6658 7.7496 7.8028 7.8622 8.6883 8.7019 8.7064 8.7188 8.9695 8.9896 8.9935 9.0284 9.3942 9.3980 9.4102 9.4238 10.5224 10.5294 10.5677 10.6249 11.5240 11.5801 11.7266 11.8016 k = 0.1098-0.0000 0.3090 ( 4546 PWs) bands (ev): -3.5393 -3.5390 -3.5390 -3.5389 -0.6636 -0.6634 -0.6613 -0.6612 4.0167 4.0190 4.0350 4.0363 5.5232 5.5309 5.5392 5.5544 6.3908 6.3925 6.4003 6.4266 6.8021 6.8189 6.8446 6.9237 7.6698 7.7477 7.8083 7.8640 8.6704 8.6849 8.6855 8.7008 8.9763 8.9938 8.9991 9.0319 9.4051 9.4091 9.4228 9.4355 10.5671 10.5722 10.6091 10.6740 11.4678 11.5343 11.6732 11.7523 k = 0.1220-0.0000 0.3090 ( 4542 PWs) bands (ev): -3.5202 -3.5200 -3.5199 -3.5198 -0.6641 -0.6639 -0.6616 -0.6614 4.0348 4.0373 4.0564 4.0578 5.5074 5.5142 5.5225 5.5376 6.3261 6.3341 6.3387 6.3662 6.7780 6.7987 6.8175 6.8941 7.6740 7.7463 7.8131 7.8654 8.6513 8.6637 8.6667 8.6814 8.9807 8.9958 9.0024 9.0329 9.4150 9.4191 9.4339 9.4457 10.6133 10.6162 10.6478 10.7212 11.4109 11.4885 11.6068 11.6811 k = 0.1341-0.0000 0.3090 ( 4540 PWs) bands (ev): -3.4993 -3.4991 -3.4990 -3.4989 -0.6649 -0.6647 -0.6622 -0.6620 4.0543 4.0569 4.0797 4.0812 5.4849 5.4895 5.4986 5.5122 6.2674 6.2807 6.2816 6.3098 6.7539 6.7782 6.7914 6.8656 7.6779 7.7451 7.8169 7.8663 8.6311 8.6412 8.6472 8.6608 8.9824 8.9953 9.0031 9.0313 9.4236 9.4278 9.4431 9.4539 10.6594 10.6595 10.6806 10.7630 11.3570 11.4460 11.5321 11.5998 k = 0.1463-0.0000 0.3090 ( 4544 PWs) bands (ev): -3.4766 -3.4764 -3.4763 -3.4762 -0.6661 -0.6659 -0.6631 -0.6629 4.0751 4.0778 4.1049 4.1065 5.4543 5.4551 5.4662 5.4762 6.2179 6.2323 6.2347 6.2602 6.7301 6.7576 6.7662 6.8380 7.6811 7.7436 7.8196 7.8664 8.6099 8.6180 8.6266 8.6389 8.9815 8.9926 9.0013 9.0273 9.4306 9.4349 9.4500 9.4600 10.6995 10.7028 10.7039 10.7942 11.3116 11.4108 11.4548 11.5179 k = 0.1585-0.0000 0.3090 ( 4546 PWs) bands (ev): -3.4522 -3.4519 -3.4519 -3.4518 -0.6676 -0.6675 -0.6645 -0.6642 4.0968 4.0996 4.1318 4.1335 5.4099 5.4149 5.4246 5.4286 6.1797 6.1930 6.1980 6.2195 6.7065 6.7368 6.7418 6.8112 7.6830 7.7414 7.8210 7.8657 8.5876 8.5941 8.6049 8.6161 8.9780 8.9874 8.9970 9.0209 9.4359 9.4403 9.4548 9.4639 10.7141 10.7329 10.7404 10.8083 11.2818 11.3809 11.3872 11.4422 k = 0.1707-0.0000 0.3090 ( 4542 PWs) bands (ev): -3.4261 -3.4258 -3.4257 -3.4256 -0.6697 -0.6695 -0.6663 -0.6661 4.1190 4.1219 4.1602 4.1621 5.3540 5.3669 5.3698 5.3744 6.1536 6.1648 6.1715 6.1887 6.6835 6.7160 6.7183 6.7853 7.6835 7.7381 7.8210 7.8638 8.5645 8.5696 8.5823 8.5923 8.9720 8.9799 8.9902 9.0122 9.4396 9.4438 9.4572 9.4655 10.7087 10.7552 10.7674 10.8000 11.2732 11.3165 11.3782 11.3784 k = 0.1829-0.0000 0.3090 ( 4542 PWs) bands (ev): -3.3983 -3.3980 -3.3980 -3.3979 -0.6724 -0.6722 -0.6688 -0.6685 4.1413 4.1443 4.1899 4.1921 5.2887 5.3013 5.3115 5.3168 6.1388 6.1474 6.1547 6.1678 6.6610 6.6953 6.6957 6.7600 7.6822 7.7333 7.8194 7.8605 8.5405 8.5444 8.5588 8.5678 8.9634 8.9700 8.9811 9.0013 9.4413 9.4455 9.4571 9.4648 10.6876 10.7614 10.7700 10.7779 11.2686 11.2858 11.3314 11.3851 k = 0.1951-0.0000 0.3090 ( 4550 PWs) bands (ev): -3.3691 -3.3687 -3.3687 -3.3686 -0.6757 -0.6755 -0.6719 -0.6716 4.1630 4.1661 4.2207 4.2232 5.2162 5.2256 5.2507 5.2541 6.1337 6.1395 6.1464 6.1556 6.6394 6.6742 6.6747 6.7355 7.6788 7.7268 7.8159 7.8555 8.5156 8.5185 8.5344 8.5424 8.9524 8.9580 8.9697 8.9883 9.4411 9.4450 9.4547 9.4616 10.6533 10.7240 10.7482 10.7670 11.2424 11.3052 11.3138 11.4051 k = 0.2073-0.0000 0.3090 ( 4556 PWs) bands (ev): -3.3383 -3.3380 -3.3379 -3.3378 -0.6798 -0.6796 -0.6758 -0.6755 4.1834 4.1865 4.2520 4.2550 5.1390 5.1453 5.1871 5.1891 6.1363 6.1394 6.1451 6.1508 6.6190 6.6542 6.6546 6.7118 7.6733 7.7183 7.8103 7.8487 8.4900 8.4920 8.5093 8.5164 8.9392 8.9438 8.9562 8.9732 9.4389 9.4426 9.4498 9.4562 10.6095 10.6688 10.7163 10.7347 11.2379 11.2987 11.3501 11.4351 k = 0.2195-0.0000 0.3090 ( 4564 PWs) bands (ev): -3.3063 -3.3059 -3.3058 -3.3057 -0.6847 -0.6845 -0.6804 -0.6801 4.2013 4.2044 4.2832 4.2868 5.0596 5.0631 5.1237 5.1245 6.1448 6.1455 6.1492 6.1518 6.6001 6.6349 6.6358 6.6890 7.6655 7.7077 7.8025 7.8398 8.4636 8.4648 8.4837 8.4899 8.9238 8.9276 8.9407 8.9563 9.4346 9.4379 9.4425 9.4483 10.5600 10.6095 10.6705 10.6869 11.2489 11.3066 11.3889 11.4708 k = 0.2317-0.0000 0.3090 ( 4564 PWs) bands (ev): -3.2729 -3.2726 -3.2725 -3.2724 -0.6905 -0.6902 -0.6860 -0.6857 4.2153 4.2184 4.3132 4.3177 4.9810 4.9817 5.0633 5.0634 6.1563 6.1568 6.1571 6.1576 6.5830 6.6162 6.6195 6.6672 7.6552 7.6949 7.7924 7.8287 8.4366 8.4371 8.4575 8.4630 8.9065 8.9096 8.9234 8.9377 9.4282 9.4312 9.4330 9.4382 10.5078 10.5492 10.6164 10.6306 11.2680 11.3219 11.4247 11.5075 k = 0.2439-0.0000 0.3090 ( 4568 PWs) bands (ev): -3.2385 -3.2381 -3.2380 -3.2379 -0.6972 -0.6969 -0.6925 -0.6922 4.2238 4.2267 4.3403 4.3461 4.9040 4.9062 5.0086 5.0089 6.1646 6.1673 6.1704 6.1734 6.5685 6.5984 6.6057 6.6465 7.6427 7.6797 7.7798 7.8154 8.4088 8.4089 8.4309 8.4357 8.8873 8.8898 8.9044 8.9174 9.4196 9.4211 9.4223 9.4259 10.4550 10.4899 10.5588 10.5709 11.2888 11.3388 11.4517 11.5370 k = 0.2561-0.0000 0.3090 ( 4566 PWs) bands (ev): -3.2030 -3.2027 -3.2025 -3.2024 -0.7049 -0.7046 -0.7000 -0.6997 4.2248 4.2275 4.3615 4.3689 4.8340 4.8391 4.9631 4.9635 6.1737 6.1786 6.1867 6.1911 6.5568 6.5821 6.5950 6.6272 7.6278 7.6623 7.7647 7.7995 8.3800 8.3806 8.4041 8.4082 8.8666 8.8685 8.8839 8.8958 9.4071 9.4091 9.4114 9.4114 10.4030 10.4328 10.5008 10.5112 11.3073 11.3528 11.4641 11.5450 k = 0.2683-0.0000 0.3090 ( 4558 PWs) bands (ev): -3.1667 -3.1663 -3.1662 -3.1661 -0.7136 -0.7134 -0.7086 -0.7082 4.2168 4.2191 4.3721 4.3813 4.7774 4.7854 4.9291 4.9293 6.1829 6.1898 6.2041 6.2094 6.5488 6.5675 6.5878 6.6095 7.6108 7.6428 7.7471 7.7813 8.3509 8.3520 8.3771 8.3806 8.8443 8.8458 8.8621 8.8729 9.3912 9.3951 9.3965 9.3985 10.3531 10.3787 10.4445 10.4534 11.3208 11.3611 11.4601 11.5273 k = 0.2805-0.0000 0.3090 ( 4562 PWs) bands (ev): -3.1297 -3.1293 -3.1292 -3.1291 -0.7234 -0.7231 -0.7182 -0.7178 4.1990 4.2008 4.3663 4.3768 4.7411 4.7513 4.9079 4.9081 6.1914 6.1997 6.2217 6.2273 6.5450 6.5552 6.5845 6.5936 7.5921 7.6213 7.7269 7.7606 8.3216 8.3230 8.3500 8.3529 8.8208 8.8218 8.8392 8.8490 9.3735 9.3770 9.3820 9.3836 10.3057 10.3279 10.3909 10.3987 11.3279 11.3626 11.4433 11.4969 k = 0.2927-0.0000 0.3090 ( 4572 PWs) bands (ev): -3.0922 -3.0918 -3.0916 -3.0915 -0.7342 -0.7339 -0.7288 -0.7284 4.1717 4.1730 4.3412 4.3516 4.7294 4.7403 4.8993 4.8999 6.1984 6.2075 6.2386 6.2437 6.5456 6.5456 6.5798 6.5854 7.5719 7.5984 7.7044 7.7376 8.2921 8.2939 8.3230 8.3252 8.7962 8.7969 8.8153 8.8241 9.3542 9.3573 9.3656 9.3669 10.2613 10.2808 10.3407 10.3476 11.3287 11.3578 11.4191 11.4624 k = 0.3049-0.0000 0.3090 ( 4564 PWs) bands (ev): -3.0543 -3.0539 -3.0538 -3.0537 -0.7460 -0.7458 -0.7405 -0.7401 4.1364 4.1373 4.2997 4.3090 4.7393 4.7496 4.9022 4.9033 6.2034 6.2129 6.2539 6.2577 6.5391 6.5508 6.5684 6.5904 7.5509 7.5744 7.6798 7.7125 8.2628 8.2647 8.2961 8.2976 8.7709 8.7713 8.7907 8.7987 9.3337 9.3364 9.3477 9.3488 10.2202 10.2374 10.2944 10.3004 11.3241 11.3480 11.3914 11.4274 k = 0.3171-0.0000 0.3090 ( 4560 PWs) bands (ev): -3.0163 -3.0160 -3.0158 -3.0157 -0.7588 -0.7586 -0.7532 -0.7528 4.0954 4.0959 4.2484 4.2563 4.7636 4.7730 4.9146 4.9162 6.2064 6.2157 6.2669 6.2684 6.5361 6.5595 6.5601 6.5993 7.5295 7.5499 7.6535 7.6857 8.2336 8.2358 8.2693 8.2703 8.7449 8.7451 8.7655 8.7727 9.3122 9.3146 9.3285 9.3294 10.1824 10.1976 10.2520 10.2573 11.3153 11.3348 11.3626 11.3932 k = 0.3293-0.0000 0.3090 ( 4560 PWs) bands (ev): -2.9785 -2.9781 -2.9779 -2.9778 -0.7725 -0.7723 -0.7668 -0.7664 4.0508 4.0510 4.1927 4.1993 4.7966 4.8051 4.9343 4.9362 6.2076 6.2165 6.2753 6.2768 6.5363 6.5532 6.5729 6.6111 7.5086 7.5257 7.6258 7.6576 8.2048 8.2071 8.2428 8.2432 8.7185 8.7186 8.7400 8.7464 9.2900 9.2922 9.3083 9.3090 10.1479 10.1614 10.2134 10.2182 11.3038 11.3195 11.3342 11.3605 k = 0.3415-0.0000 0.3090 ( 4562 PWs) bands (ev): -2.9410 -2.9406 -2.9404 -2.9403 -0.7870 -0.7868 -0.7811 -0.7807 4.0048 4.0048 4.1363 4.1418 4.8344 4.8421 4.9593 4.9615 6.2075 6.2156 6.2786 6.2836 6.5391 6.5489 6.5879 6.6251 7.4888 7.5025 7.5975 7.6287 8.1765 8.1789 8.2164 8.2167 8.6917 8.6920 8.7143 8.7200 9.2676 9.2694 9.2873 9.2878 10.1166 10.1286 10.1786 10.1829 11.2905 11.3032 11.3068 11.3297 k = 0.3537-0.0000 0.3090 ( 4574 PWs) bands (ev): -2.9042 -2.9038 -2.9035 -2.9035 -0.8021 -0.8019 -0.7961 -0.7957 3.9587 3.9589 4.0813 4.0858 4.8749 4.8819 4.9878 4.9903 6.2067 6.2140 6.2787 6.2872 6.5434 6.5462 6.6041 6.6402 7.4710 7.4811 7.5691 7.5998 8.1489 8.1514 8.1899 8.1909 8.6651 8.6655 8.6887 8.6938 9.2451 9.2467 9.2659 9.2663 10.0884 10.0990 10.1474 10.1512 11.2764 11.2810 11.2867 11.3010 k = 0.3659-0.0000 0.3090 ( 4570 PWs) bands (ev): -2.8683 -2.8680 -2.8676 -2.8676 -0.8176 -0.8174 -0.8116 -0.8112 3.9139 3.9142 4.0289 4.0327 4.9168 4.9231 5.0184 5.0211 6.2058 6.2123 6.2763 6.2881 6.5442 6.5479 6.6203 6.6551 7.4559 7.4625 7.5416 7.5716 8.1221 8.1246 8.1640 8.1656 8.6388 8.6394 8.6633 8.6679 9.2231 9.2245 9.2446 9.2449 10.0631 10.0726 10.1196 10.1230 11.2572 11.2623 11.2706 11.2747 k = 0.3780-0.0000 0.3090 ( 4566 PWs) bands (ev): -2.8337 -2.8334 -2.8330 -2.8330 -0.8334 -0.8332 -0.8272 -0.8269 3.8714 3.8718 3.9799 3.9831 4.9588 4.9646 5.0500 5.0527 6.2052 6.2111 6.2724 6.2868 6.5419 6.5514 6.6354 6.6687 7.4440 7.4472 7.5159 7.5450 8.0963 8.0988 8.1387 8.1409 8.6132 8.6138 8.6386 8.6426 9.2018 9.2030 9.2236 9.2238 10.0407 10.0491 10.0950 10.0981 11.2354 11.2485 11.2508 11.2552 k = 0.3902-0.0000 0.3090 ( 4570 PWs) bands (ev): -2.8008 -2.8005 -2.8001 -2.8000 -0.8491 -0.8489 -0.8428 -0.8425 3.8318 3.8322 3.9349 3.9375 5.0002 5.0055 5.0815 5.0842 6.2055 6.2107 6.2676 6.2839 6.5385 6.5528 6.6483 6.6799 7.4357 7.4360 7.4929 7.5208 8.0715 8.0740 8.1141 8.1168 8.5884 8.5890 8.6146 8.6181 9.1815 9.1825 9.2032 9.2034 10.0210 10.0283 10.0734 10.0762 11.2159 11.2293 11.2355 11.2409 k = 0.4024-0.0000 0.3090 ( 4576 PWs) bands (ev): -2.7698 -2.7695 -2.7691 -2.7691 -0.8644 -0.8643 -0.8581 -0.8578 3.7956 3.7959 3.8942 3.8963 5.0403 5.0451 5.1120 5.1147 6.2069 6.2117 6.2625 6.2802 6.5336 6.5515 6.6583 6.6879 7.4289 7.4313 7.4734 7.4998 8.0480 8.0504 8.0905 8.0937 8.5648 8.5655 8.5917 8.5948 9.1624 9.1633 9.1839 9.1840 10.0038 10.0102 10.0547 10.0571 11.1986 11.2102 11.2235 11.2278 k = 0.4146-0.0000 0.3090 ( 4580 PWs) bands (ev): -2.7413 -2.7410 -2.7405 -2.7405 -0.8791 -0.8790 -0.8727 -0.8724 3.7630 3.7634 3.8579 3.8597 5.0782 5.0825 5.1408 5.1434 6.2097 6.2140 6.2577 6.2759 6.5271 6.5473 6.6648 6.6922 7.4260 7.4303 7.4580 7.4824 8.0260 8.0283 8.0680 8.0716 8.5428 8.5434 8.5703 8.5729 9.1450 9.1457 9.1661 9.1662 9.9890 9.9945 10.0386 10.0407 11.1836 11.1934 11.2127 11.2162 k = 0.4268-0.0000 0.3090 ( 4572 PWs) bands (ev): -2.7155 -2.7152 -2.7147 -2.7147 -0.8928 -0.8927 -0.8863 -0.8861 3.7345 3.7348 3.8263 3.8278 5.1133 5.1171 5.1672 5.1696 6.2138 6.2176 6.2535 6.2716 6.5193 6.5405 6.6679 6.6925 7.4268 7.4325 7.4470 7.4688 8.0057 8.0079 8.0471 8.0509 8.5227 8.5233 8.5507 8.5529 9.1295 9.1300 9.1500 9.1500 9.9766 9.9812 10.0251 10.0269 11.1708 11.1791 11.2033 11.2060 k = 0.4390-0.0000 0.3090 ( 4568 PWs) bands (ev): -2.6928 -2.6926 -2.6921 -2.6921 -0.9051 -0.9050 -0.8986 -0.8984 3.7101 3.7104 3.7995 3.8006 5.1448 5.1480 5.1906 5.1927 6.2189 6.2224 6.2502 6.2673 6.5110 6.5317 6.6680 6.6893 7.4306 7.4368 7.4401 7.4590 7.9875 7.9895 8.0281 8.0318 8.5049 8.5053 8.5333 8.5351 9.1160 9.1164 9.1359 9.1359 9.9663 9.9701 10.0139 10.0154 11.1601 11.1669 11.1953 11.1974 k = 0.4512-0.0000 0.3090 ( 4560 PWs) bands (ev): -2.6737 -2.6736 -2.6730 -2.6730 -0.9157 -0.9156 -0.9092 -0.9090 3.6901 3.6903 3.7775 3.7784 5.1720 5.1746 5.2105 5.2122 6.2247 6.2278 6.2479 6.2632 6.5029 6.5217 6.6657 6.6834 7.4363 7.4369 7.4424 7.4525 7.9717 7.9735 8.0115 8.0150 8.4897 8.4901 8.5185 8.5198 9.1047 9.1051 9.1241 9.1241 9.9581 9.9611 10.0049 10.0061 11.1516 11.1570 11.1887 11.1903 k = 0.4634-0.0000 0.3090 ( 4554 PWs) bands (ev): -2.6585 -2.6584 -2.6577 -2.6577 -0.9244 -0.9243 -0.9178 -0.9176 3.6744 3.6746 3.7603 3.7610 5.1941 5.1960 5.2264 5.2277 6.2306 6.2331 6.2469 6.2594 6.4961 6.5117 6.6624 6.6761 7.4363 7.4428 7.4480 7.4483 7.9588 7.9602 7.9979 8.0009 8.4774 8.4777 8.5065 8.5075 9.0959 9.0961 9.1147 9.1147 9.9519 9.9541 9.9981 9.9990 11.1452 11.1492 11.1836 11.1847 k = 0.4756-0.0000 0.3090 ( 4554 PWs) bands (ev): -2.6474 -2.6473 -2.6466 -2.6466 -0.9307 -0.9307 -0.9241 -0.9240 3.6632 3.6633 3.7481 3.7486 5.2105 5.2118 5.2380 5.2390 6.2358 6.2376 6.2470 6.2560 6.4915 6.5026 6.6594 6.6687 7.4375 7.4456 7.4488 7.4527 7.9492 7.9503 7.9878 7.9900 8.4685 8.4687 8.4978 8.4984 9.0894 9.0896 9.1078 9.1078 9.9476 9.9490 9.9933 9.9939 11.1409 11.1435 11.1800 11.1807 k = 0.4878-0.0000 0.3090 ( 4554 PWs) bands (ev): -2.6406 -2.6405 -2.6398 -2.6398 -0.9347 -0.9346 -0.9280 -0.9280 3.6564 3.6565 3.7408 3.7410 5.2207 5.2214 5.2452 5.2457 6.2395 6.2405 6.2482 6.2528 6.4897 6.4955 6.6580 6.6627 7.4394 7.4435 7.4534 7.4554 7.9434 7.9440 7.9818 7.9830 8.4630 8.4631 8.4925 8.4928 9.0855 9.0856 9.1037 9.1037 9.9451 9.9459 9.9905 9.9908 11.1385 11.1398 11.1778 11.1782 k = 0.5000-0.0000 0.3090 ( 4544 PWs) bands (ev): -2.6383 -2.6383 -2.6376 -2.6376 -0.9360 -0.9360 -0.9293 -0.9293 3.6542 3.6542 3.7385 3.7385 5.2244 5.2244 5.2478 5.2478 6.2412 6.2412 6.2502 6.2502 6.4910 6.4910 6.6590 6.6590 7.4416 7.4416 7.4557 7.4557 7.9417 7.9417 7.9802 7.9802 8.4612 8.4612 8.4908 8.4908 9.0843 9.0843 9.1024 9.1024 9.9446 9.9446 9.9897 9.9897 11.1382 11.1382 11.1773 11.1773 k = 0.5000-0.0000 0.3090 ( 4544 PWs) bands (ev): -2.6383 -2.6383 -2.6376 -2.6376 -0.9360 -0.9360 -0.9293 -0.9293 3.6542 3.6542 3.7385 3.7385 5.2244 5.2244 5.2478 5.2478 6.2412 6.2412 6.2502 6.2502 6.4910 6.4910 6.6590 6.6590 7.4416 7.4416 7.4557 7.4557 7.9417 7.9417 7.9802 7.9802 8.4612 8.4612 8.4908 8.4908 9.0843 9.0843 9.1024 9.1024 9.9446 9.9446 9.9897 9.9897 11.1382 11.1382 11.1773 11.1773 k = 0.5000 0.0123 0.3090 ( 4548 PWs) bands (ev): -2.6374 -2.6374 -2.6367 -2.6366 -0.9369 -0.9366 -0.9303 -0.9299 3.6473 3.6523 3.7302 3.7364 5.2286 5.2349 5.2513 5.2550 6.2011 6.2105 6.2396 6.2497 6.4824 6.5397 6.6513 6.6919 7.4342 7.4494 7.4496 7.4615 7.9396 7.9517 7.9779 7.9910 8.4577 8.4664 8.4874 8.4959 9.0835 9.0852 9.1020 9.1026 9.9459 9.9460 9.9897 9.9921 11.1397 11.1431 11.1790 11.1817 k = 0.5000 0.0245 0.3090 ( 4556 PWs) bands (ev): -2.6347 -2.6347 -2.6340 -2.6339 -0.9394 -0.9388 -0.9328 -0.9322 3.6321 3.6419 3.7120 3.7242 5.2473 5.2595 5.2652 5.2720 6.1295 6.1581 6.1973 6.2055 6.5162 6.6015 6.6693 6.7402 7.4280 7.4440 7.4573 7.4667 7.9459 7.9691 7.9846 8.0097 8.4557 8.4733 8.4857 8.5027 9.0828 9.0861 9.1018 9.1029 9.9499 9.9501 9.9921 9.9968 11.1475 11.1543 11.1868 11.1923 k = 0.5000 0.0368 0.3090 ( 4556 PWs) bands (ev): -2.6301 -2.6301 -2.6295 -2.6293 -0.9435 -0.9426 -0.9369 -0.9360 3.6094 3.6236 3.6853 3.7028 5.2787 5.2878 5.2963 5.2967 6.0489 6.0945 6.1211 6.1494 6.5650 6.6642 6.7033 6.7946 7.4232 7.4394 7.4652 7.4709 7.9605 7.9931 8.0002 8.0353 8.4553 8.4820 8.4856 8.5113 9.0822 9.0871 9.1015 9.1033 9.9566 9.9569 9.9970 10.0039 11.1616 11.1718 11.2008 11.2089 k = 0.5000 0.0490 0.3090 ( 4560 PWs) bands (ev): -2.6238 -2.6238 -2.6232 -2.6230 -0.9492 -0.9479 -0.9427 -0.9414 3.5805 3.5987 3.6518 3.6739 5.3160 5.3201 5.3254 5.3420 5.9653 6.0281 6.0369 6.0833 6.6146 6.7236 6.7436 6.8497 7.4204 7.4365 7.4731 7.4746 7.9827 8.0228 8.0237 8.0666 8.4565 8.4871 8.4925 8.5217 9.0817 9.0881 9.1013 9.1036 9.9661 9.9664 10.0042 10.0135 11.1820 11.1956 11.2207 11.2314 k = 0.5000 0.0613 0.3090 ( 4560 PWs) bands (ev): -2.6157 -2.6157 -2.6151 -2.6149 -0.9565 -0.9549 -0.9500 -0.9485 3.5470 3.5686 3.6132 3.6392 5.3446 5.3525 5.3665 5.3917 5.8842 5.9526 5.9666 6.0169 6.6601 6.7780 6.7844 6.9024 7.4197 7.4355 7.4782 7.4815 8.0116 8.0540 8.0572 8.1025 8.4593 8.4903 8.5049 8.5342 9.0813 9.0893 9.1010 9.1039 9.9783 9.9786 10.0140 10.0255 11.2086 11.2254 11.2464 11.2595 k = 0.5000 0.0736 0.3090 ( 4556 PWs) bands (ev): -2.6059 -2.6058 -2.6052 -2.6050 -0.9654 -0.9635 -0.9590 -0.9572 3.5102 3.5349 3.5714 3.6006 5.3637 5.3717 5.4083 5.4366 5.8150 5.8771 5.9189 5.9597 6.7002 6.8227 6.8269 6.9513 7.4213 7.4363 7.4828 7.4910 8.0457 8.0893 8.0954 8.1418 8.4636 8.4952 8.5194 8.5488 9.0810 9.0905 9.1009 9.1043 9.9934 9.9937 10.0263 10.0401 11.2411 11.2611 11.2773 11.2929 k = 0.5000 0.0858 0.3090 ( 4552 PWs) bands (ev): -2.5943 -2.5943 -2.5937 -2.5934 -0.9759 -0.9738 -0.9697 -0.9675 3.4717 3.4989 3.5279 3.5598 5.3592 5.3768 5.4260 5.4605 5.7750 5.8275 5.8941 5.9235 6.7343 6.8574 6.8699 6.9956 7.4251 7.4390 7.4892 7.5022 8.0833 8.1280 8.1363 8.1834 8.4695 8.5019 8.5361 8.5656 9.0807 9.0917 9.1007 9.1047 10.0114 10.0116 10.0410 10.0572 11.2792 11.3023 11.3129 11.3312 k = 0.5000 0.0981 0.3090 ( 4544 PWs) bands (ev): -2.5811 -2.5810 -2.5804 -2.5801 -0.9880 -0.9856 -0.9819 -0.9795 3.4326 3.4620 3.4840 3.5182 5.3263 5.3571 5.3979 5.4438 5.7809 5.8268 5.8949 5.9203 6.7627 6.8881 6.9072 7.0351 7.4313 7.4431 7.4981 7.5157 8.1228 8.1682 8.1789 8.2260 8.4772 8.5105 8.5551 8.5849 9.0806 9.0930 9.1005 9.1052 10.0321 10.0325 10.0584 10.0770 11.3222 11.3487 11.3517 11.3736 k = 0.5000 0.1104 0.3090 ( 4548 PWs) bands (ev): -2.5662 -2.5661 -2.5655 -2.5652 -1.0018 -0.9992 -0.9959 -0.9932 3.3940 3.4253 3.4411 3.4770 5.2687 5.3101 5.3313 5.3849 5.8272 5.8732 5.9187 5.9506 6.7859 6.9151 6.9389 7.0697 7.4396 7.4488 7.5098 7.5316 8.1625 8.2081 8.2220 8.2683 8.4866 8.5213 8.5767 8.6066 9.0807 9.0943 9.1005 9.1057 10.0557 10.0564 10.0783 10.0993 11.3691 11.3920 11.3994 11.4189 k = 0.5000 0.1226 0.3090 ( 4544 PWs) bands (ev): -2.5497 -2.5497 -2.5491 -2.5487 -1.0172 -1.0144 -1.0115 -1.0086 3.3569 3.3898 3.3999 3.4373 5.1940 5.2417 5.2454 5.3016 5.8971 5.9452 5.9621 6.0028 6.8046 6.9389 6.9655 7.0999 7.4504 7.4560 7.5242 7.5501 8.2009 8.2463 8.2645 8.3092 8.4983 8.5348 8.6009 8.6311 9.0808 9.0957 9.1004 9.1062 10.0821 10.0833 10.1008 10.1243 11.4187 11.4308 11.4537 11.4655 k = 0.5000 0.1349 0.3090 ( 4536 PWs) bands (ev): -2.5317 -2.5317 -2.5311 -2.5306 -1.0343 -1.0312 -1.0287 -1.0256 3.3220 3.3563 3.3612 3.4000 5.1090 5.1509 5.1598 5.2074 5.9785 6.0186 6.0292 6.0673 6.8194 6.9601 6.9874 7.1260 7.4636 7.4650 7.5410 7.5708 8.2367 8.2818 8.3052 8.3474 8.5126 8.5514 8.6280 8.6582 9.0811 9.0971 9.1004 9.1068 10.1114 10.1133 10.1260 10.1521 11.4641 11.4684 11.5097 11.5100 k = 0.5000 0.1471 0.3090 ( 4528 PWs) bands (ev): -2.5123 -2.5122 -2.5117 -2.5111 -1.0529 -1.0497 -1.0475 -1.0442 3.2900 3.3255 3.3257 3.3656 5.0181 5.0525 5.0702 5.1084 6.0655 6.0824 6.1190 6.1384 6.8314 6.9796 7.0050 7.1485 7.4759 7.4793 7.5597 7.5936 8.2691 8.3136 8.3426 8.3815 8.5302 8.5716 8.6579 8.6878 9.0814 9.0986 9.1004 9.1074 10.1436 10.1465 10.1538 10.1828 11.4866 11.5147 11.5455 11.5662 k = 0.5000 0.1594 0.3090 ( 4532 PWs) bands (ev): -2.4915 -2.4914 -2.4908 -2.4903 -1.0731 -1.0697 -1.0679 -1.0644 3.2614 3.2940 3.2980 3.3348 4.9240 4.9527 4.9763 5.0074 6.1494 6.1547 6.2112 6.2127 6.8412 6.9981 7.0190 7.1679 7.4886 7.4975 7.5798 7.6180 8.2973 8.3413 8.3756 8.4108 8.5518 8.5958 8.6903 8.7197 9.0819 9.1000 9.1004 9.1081 10.1785 10.1827 10.1841 10.2164 11.4936 11.5517 11.5630 11.6181 k = 0.5000 0.1717 0.3090 ( 4532 PWs) bands (ev): -2.4694 -2.4693 -2.4688 -2.4682 -1.0948 -1.0912 -1.0898 -1.0861 3.2366 3.2663 3.2743 3.3080 4.8285 4.8527 4.8803 4.9060 6.2167 6.2440 6.2877 6.3040 6.8498 7.0163 7.0300 7.1851 7.5033 7.5181 7.6011 7.6437 8.3212 8.3648 8.4032 8.4349 8.5778 8.6236 8.7251 8.7533 9.0825 9.1006 9.1016 9.1089 10.2160 10.2170 10.2221 10.2529 11.4825 11.5536 11.5716 11.6556 k = 0.5000 0.1839 0.3090 ( 4536 PWs) bands (ev): -2.4462 -2.4461 -2.4456 -2.4449 -1.1178 -1.1141 -1.1130 -1.1092 3.2160 3.2430 3.2546 3.2855 4.7326 4.7532 4.7837 4.8051 6.2821 6.3315 6.3614 6.3957 6.8582 7.0346 7.0386 7.2005 7.5197 7.5410 7.6233 7.6705 8.3406 8.3842 8.4251 8.4541 8.6082 8.6546 8.7617 8.7883 9.0832 9.1007 9.1031 9.1097 10.2522 10.2560 10.2646 10.2923 11.4549 11.5197 11.5677 11.6557 k = 0.5000 0.1962 0.3090 ( 4548 PWs) bands (ev): -2.4219 -2.4218 -2.4213 -2.4207 -1.1421 -1.1382 -1.1375 -1.1336 3.1998 3.2244 3.2393 3.2677 4.6373 4.6549 4.6874 4.7053 6.3441 6.4156 6.4325 6.4848 6.8674 7.0455 7.0537 7.2148 7.5377 7.5660 7.6461 7.6980 8.3557 8.3995 8.4420 8.4693 8.6420 8.6875 8.7998 8.8242 9.0840 9.1009 9.1047 9.1107 10.2896 10.2980 10.3102 10.3348 11.4151 11.4704 11.5406 11.6153 k = 0.5000 0.2084 0.3090 ( 4544 PWs) bands (ev): -2.3968 -2.3967 -2.3962 -2.3955 -1.1675 -1.1634 -1.1631 -1.1591 3.1883 3.2106 3.2286 3.2546 4.5431 4.5582 4.5921 4.6071 6.4016 6.4940 6.4998 6.5699 6.8792 7.0516 7.0736 7.2284 7.5573 7.5929 7.6694 7.7262 8.3667 8.4109 8.4548 8.4811 8.6784 8.7217 8.8390 8.8606 9.0850 9.1012 9.1064 9.1118 10.3288 10.3419 10.3589 10.3803 11.3675 11.4133 11.4970 11.5583 k = 0.5000 0.2207 0.3090 ( 4552 PWs) bands (ev): -2.3711 -2.3709 -2.3704 -2.3697 -1.1937 -1.1896 -1.1896 -1.1855 3.1815 3.2017 3.2227 3.2464 4.4505 4.4634 4.4984 4.5109 6.4537 6.5623 6.5642 6.6493 6.8957 7.0577 7.0946 7.2417 7.5782 7.6214 7.6931 7.7546 8.3736 8.4187 8.4642 8.4900 8.7162 8.7564 8.8787 8.8970 9.0862 9.1015 9.1081 9.1132 10.3694 10.3868 10.4102 10.4286 11.3160 11.3532 11.4442 11.4974 k = 0.5000 0.2330 0.3090 ( 4548 PWs) bands (ev): -2.3448 -2.3446 -2.3442 -2.3434 -1.2206 -1.2168 -1.2164 -1.2125 3.1796 3.1978 3.2217 3.2433 4.3599 4.3710 4.4066 4.4170 6.5000 6.6195 6.6232 6.7212 6.9194 7.0651 7.1163 7.2550 7.6006 7.6512 7.7172 7.7831 8.3770 8.4231 8.4708 8.4965 8.7549 8.7912 8.9185 8.9330 9.0876 9.1020 9.1100 9.1149 10.4105 10.4320 10.4640 10.4797 11.2630 11.2934 11.3869 11.4374 k = 0.5000 0.2452 0.3090 ( 4556 PWs) bands (ev): -2.3184 -2.3182 -2.3177 -2.3169 -1.2479 -1.2443 -1.2436 -1.2400 3.1825 3.1989 3.2255 3.2451 4.2718 4.2812 4.3172 4.3257 6.5404 6.6683 6.6709 6.7840 6.9517 7.0755 7.1384 7.2682 7.6244 7.6819 7.7416 7.8114 8.3770 8.4241 8.4751 8.5007 8.7937 8.8257 8.9577 8.9680 9.0892 9.1024 9.1119 9.1171 10.4512 10.4762 10.5199 10.5332 11.2102 11.2372 11.3282 11.3813 k = 0.5000 0.2575 0.3090 ( 4552 PWs) bands (ev): -2.2920 -2.2918 -2.2914 -2.2905 -1.2751 -1.2718 -1.2708 -1.2675 3.1902 3.2049 3.2342 3.2520 4.1864 4.1943 4.2305 4.2373 6.5752 6.6993 6.7164 6.8362 6.9909 7.0912 7.1602 7.2812 7.6495 7.7130 7.7663 7.8389 8.3741 8.4222 8.4776 8.5030 8.8320 8.8596 8.9955 9.0012 9.0914 9.1030 9.1143 9.1204 10.4898 10.5179 10.5770 10.5887 11.1577 11.1892 11.2706 11.3320 k = 0.5000 0.2698 0.3090 ( 4552 PWs) bands (ev): -2.2661 -2.2658 -2.2654 -2.2646 -1.3020 -1.2990 -1.2976 -1.2946 3.2026 3.2157 3.2477 3.2637 4.1041 4.1106 4.1468 4.1521 6.6049 6.7187 6.7559 6.8765 7.0325 7.1143 7.1812 7.2938 7.6760 7.7440 7.7911 7.8652 8.3686 8.4174 8.4784 8.5034 8.8694 8.8924 9.0303 9.0313 9.0946 9.1039 9.1176 9.1256 10.5243 10.5548 10.6343 10.6451 11.1069 11.1528 11.2163 11.2921 k = 0.5000 0.2820 0.3090 ( 4552 PWs) bands (ev): -2.2410 -2.2407 -2.2404 -2.2395 -1.3281 -1.3253 -1.3236 -1.3209 3.2195 3.2310 3.2658 3.2802 4.0253 4.0306 4.0665 4.0705 6.6299 6.7301 6.7900 6.9044 7.0726 7.1450 7.2004 7.3055 7.7036 7.7739 7.8159 7.8898 8.3612 8.4101 8.4781 8.5023 8.9049 8.9237 9.0562 9.0586 9.1002 9.1049 9.1234 9.1343 10.5525 10.5847 10.6897 10.7009 11.0614 11.1300 11.1681 11.2643 k = 0.5000 0.2943 0.3090 ( 4552 PWs) bands (ev): -2.2173 -2.2169 -2.2168 -2.2158 -1.3527 -1.3503 -1.3482 -1.3458 3.2406 3.2506 3.2882 3.3010 3.9506 3.9547 3.9901 3.9927 6.6509 6.7361 6.8190 6.9216 7.1098 7.1798 7.2174 7.3159 7.7321 7.8019 7.8403 7.9119 8.3525 8.4006 8.4769 8.4999 8.9379 8.9528 9.0737 9.0756 9.1063 9.1077 9.1361 9.1481 10.5726 10.6054 10.7401 10.7525 11.0259 11.1225 11.1297 11.2508 k = 0.5000 0.3065 0.3090 ( 4552 PWs) bands (ev): -2.1956 -2.1951 -2.1951 -2.1941 -1.3753 -1.3732 -1.3707 -1.3687 3.2652 3.2738 3.3147 3.3259 3.8805 3.8835 3.9180 3.9194 6.6686 6.7386 6.8435 6.9307 7.1437 7.2145 7.2315 7.3245 7.7608 7.8269 7.8640 7.9308 8.3436 8.3894 8.4754 8.4965 8.9674 8.9790 9.0831 9.0840 9.1082 9.1134 9.1570 9.1661 10.5839 10.6160 10.7805 10.7932 11.0078 11.1060 11.1311 11.2521 k = 0.5000 0.3188 0.3090 ( 4552 PWs) bands (ev): -2.1764 -2.1760 -2.1759 -2.1750 -1.3952 -1.3935 -1.3906 -1.3889 3.2927 3.2999 3.3443 3.3539 3.8159 3.8179 3.8510 3.8514 6.6835 6.7386 6.8641 6.9341 7.1736 7.2423 7.2459 7.3307 7.7889 7.8477 7.8866 7.9457 8.3355 8.3770 8.4740 8.4923 8.9926 9.0013 9.0868 9.0894 9.1107 9.1172 9.1795 9.1851 10.5880 10.6174 10.8055 10.8139 11.0158 11.1016 11.1541 11.2662 k = 0.5000 0.3311 0.3090 ( 4540 PWs) bands (ev): -2.1605 -2.1602 -2.1599 -2.1592 -1.4116 -1.4103 -1.4070 -1.4057 3.3214 3.3271 3.3760 3.3839 3.7585 3.7596 3.7901 3.7906 6.6960 6.7367 6.8814 6.9338 7.1990 7.2494 7.2728 7.3342 7.8152 7.8631 7.9074 7.9558 8.3294 8.3643 8.4731 8.4878 9.0126 9.0190 9.0893 9.0922 9.1137 9.1201 9.1994 9.2024 10.5879 10.6125 10.8141 10.8158 11.0477 11.1156 11.1879 11.2879 k = 0.5000 0.3433 0.3090 ( 4536 PWs) bands (ev): -2.1485 -2.1483 -2.1478 -2.1473 -1.4239 -1.4230 -1.4193 -1.4184 3.3488 3.3529 3.4070 3.4129 3.7109 3.7114 3.7382 3.7393 6.7065 6.7334 6.8958 6.9306 7.2194 7.2524 7.2947 7.3344 7.8382 7.8721 7.9259 7.9604 8.3265 8.3519 8.4730 8.4834 9.0271 9.0313 9.0911 9.0935 9.1171 9.1222 9.2145 9.2160 10.5867 10.6044 10.8100 10.8121 11.0896 11.1378 11.2279 11.3083 k = 0.5000 0.3556 0.3090 ( 4532 PWs) bands (ev): -2.1410 -2.1409 -2.1403 -2.1400 -1.4315 -1.4310 -1.4268 -1.4264 3.3702 3.3724 3.4324 3.4357 3.6779 3.6780 3.7012 3.7021 6.7154 6.7287 6.9078 6.9251 7.2349 7.2512 7.3115 7.3310 7.8565 7.8741 7.9412 7.9593 8.3275 8.3409 8.4741 8.4794 9.0361 9.0382 9.0925 9.0938 9.1203 9.1231 9.2239 9.2245 10.5870 10.5962 10.8050 10.8071 11.1279 11.1539 11.2681 11.3153 k = 0.5000 0.3678 0.3090 ( 4536 PWs) bands (ev): -2.1384 -2.1384 -2.1376 -2.1376 -1.4339 -1.4339 -1.4292 -1.4292 3.3793 3.3793 3.4438 3.4438 3.6657 3.6657 3.6876 3.6876 6.7227 6.7227 6.9175 6.9175 7.2454 7.2454 7.3234 7.3234 7.8688 7.8688 7.9527 7.9527 8.3325 8.3325 8.4762 8.4762 9.0397 9.0397 9.0934 9.0934 9.1225 9.1225 9.2272 9.2272 10.5901 10.5901 10.8040 10.8040 11.1516 11.1516 11.3005 11.3005 k = 0.5000 0.3678 0.3090 ( 4536 PWs) bands (ev): -2.1384 -2.1384 -2.1376 -2.1376 -1.4339 -1.4339 -1.4292 -1.4292 3.3793 3.3793 3.4438 3.4438 3.6657 3.6657 3.6876 3.6876 6.7227 6.7227 6.9175 6.9175 7.2454 7.2454 7.3234 7.3234 7.8688 7.8688 7.9527 7.9527 8.3325 8.3325 8.4762 8.4762 9.0397 9.0397 9.0934 9.0934 9.1225 9.1225 9.2272 9.2272 10.5901 10.5901 10.8040 10.8040 11.1516 11.1516 11.3005 11.3005 k = 0.4878 0.3678 0.3090 ( 4540 PWs) bands (ev): -2.1394 -2.1394 -2.1385 -2.1385 -1.4356 -1.4356 -1.4309 -1.4309 3.3825 3.3825 3.4470 3.4470 3.6682 3.6682 3.6901 3.6901 6.7222 6.7222 6.9166 6.9166 7.2463 7.2463 7.3245 7.3245 7.8677 7.8677 7.9517 7.9517 8.3324 8.3324 8.4758 8.4758 9.0394 9.0394 9.0931 9.0931 9.1222 9.1222 9.2267 9.2267 10.5904 10.5904 10.8027 10.8027 11.1550 11.1550 11.3021 11.3021 k = 0.4756 0.3678 0.3090 ( 4536 PWs) bands (ev): -2.1422 -2.1422 -2.1414 -2.1414 -1.4407 -1.4407 -1.4361 -1.4361 3.3922 3.3922 3.4565 3.4565 3.6758 3.6758 3.6977 3.6977 6.7206 6.7206 6.9141 6.9141 7.2492 7.2492 7.3278 7.3278 7.8646 7.8646 7.9488 7.9488 8.3321 8.3321 8.4745 8.4745 9.0385 9.0385 9.0924 9.0924 9.1215 9.1215 9.2252 9.2252 10.5914 10.5914 10.7990 10.7990 11.1651 11.1651 11.3071 11.3071 k = 0.4634 0.3678 0.3090 ( 4540 PWs) bands (ev): -2.1468 -2.1468 -2.1460 -2.1460 -1.4491 -1.4491 -1.4446 -1.4446 3.4082 3.4082 3.4722 3.4722 3.6883 3.6883 3.7103 3.7103 6.7180 6.7180 6.9100 6.9100 7.2538 7.2538 7.3332 7.3332 7.8593 7.8593 7.9440 7.9440 8.3317 8.3317 8.4724 8.4724 9.0371 9.0371 9.0910 9.0910 9.1203 9.1203 9.2226 9.2226 10.5930 10.5930 10.7933 10.7933 11.1813 11.1813 11.3153 11.3153 k = 0.4512 0.3678 0.3090 ( 4544 PWs) bands (ev): -2.1533 -2.1533 -2.1525 -2.1525 -1.4607 -1.4607 -1.4563 -1.4563 3.4304 3.4304 3.4940 3.4940 3.7057 3.7057 3.7279 3.7279 6.7147 6.7147 6.9044 6.9044 7.2603 7.2603 7.3410 7.3410 7.8520 7.8520 7.9375 7.9375 8.3309 8.3309 8.4694 8.4694 9.0353 9.0353 9.0892 9.0892 9.1188 9.1188 9.2192 9.2192 10.5951 10.5951 10.7862 10.7862 11.2028 11.2028 11.3265 11.3265 k = 0.4390 0.3678 0.3090 ( 4544 PWs) bands (ev): -2.1615 -2.1615 -2.1606 -2.1606 -1.4754 -1.4754 -1.4711 -1.4711 3.4584 3.4584 3.5216 3.5216 3.7279 3.7279 3.7504 3.7504 6.7107 6.7107 6.8976 6.8976 7.2684 7.2684 7.3509 7.3509 7.8425 7.8425 7.9292 7.9292 8.3297 8.3297 8.4655 8.4655 9.0331 9.0331 9.0869 9.0869 9.1170 9.1170 9.2150 9.2150 10.5976 10.5976 10.7781 10.7781 11.2288 11.2288 11.3404 11.3404 k = 0.4268 0.3678 0.3090 ( 4556 PWs) bands (ev): -2.1713 -2.1713 -2.1705 -2.1705 -1.4929 -1.4929 -1.4888 -1.4888 3.4921 3.4921 3.5546 3.5546 3.7549 3.7549 3.7776 3.7776 6.7064 6.7064 6.8899 6.8899 7.2783 7.2783 7.3632 7.3632 7.8310 7.8310 7.9195 7.9195 8.3280 8.3280 8.4605 8.4605 9.0305 9.0305 9.0842 9.0842 9.1150 9.1150 9.2102 9.2102 10.6004 10.6004 10.7697 10.7697 11.2583 11.2583 11.3563 11.3563 k = 0.4146 0.3678 0.3090 ( 4552 PWs) bands (ev): -2.1827 -2.1827 -2.1819 -2.1819 -1.5132 -1.5132 -1.5093 -1.5093 3.5309 3.5309 3.5927 3.5927 3.7864 3.7864 3.8094 3.8094 6.7020 6.7020 6.8815 6.8815 7.2897 7.2897 7.3778 7.3778 7.8174 7.8174 7.9084 7.9084 8.3256 8.3256 8.4544 8.4544 9.0279 9.0279 9.0811 9.0811 9.1130 9.1130 9.2049 9.2049 10.6035 10.6035 10.7611 10.7611 11.2904 11.2904 11.3736 11.3736 k = 0.4024 0.3678 0.3090 ( 4556 PWs) bands (ev): -2.1956 -2.1956 -2.1948 -2.1948 -1.5359 -1.5359 -1.5322 -1.5322 3.5746 3.5746 3.6355 3.6355 3.8222 3.8222 3.8456 3.8456 6.6978 6.6978 6.8728 6.8728 7.3023 7.3023 7.3946 7.3946 7.8018 7.8018 7.8963 7.8963 8.3224 8.3224 8.4472 8.4472 9.0251 9.0251 9.0778 9.0778 9.1110 9.1110 9.1993 9.1993 10.6066 10.6066 10.7526 10.7526 11.3234 11.3234 11.3909 11.3909 k = 0.3902 0.3678 0.3090 ( 4548 PWs) bands (ev): -2.2098 -2.2098 -2.2091 -2.2091 -1.5608 -1.5608 -1.5573 -1.5573 3.6226 3.6226 3.6824 3.6824 3.8624 3.8624 3.8861 3.8861 6.6944 6.6944 6.8644 6.8644 7.3160 7.3160 7.4137 7.4137 7.7843 7.7843 7.8836 7.8836 8.3184 8.3184 8.4389 8.4389 9.0225 9.0225 9.0743 9.0743 9.1091 9.1091 9.1936 9.1936 10.6097 10.6097 10.7443 10.7443 11.3547 11.3547 11.4066 11.4066 k = 0.3780 0.3678 0.3090 ( 4544 PWs) bands (ev): -2.2253 -2.2253 -2.2245 -2.2245 -1.5877 -1.5877 -1.5845 -1.5845 3.6744 3.6744 3.7329 3.7329 3.9065 3.9065 3.9307 3.9307 6.6921 6.6921 6.8566 6.8566 7.3303 7.3303 7.4347 7.4347 7.7651 7.7651 7.8707 7.8707 8.3134 8.3134 8.4294 8.4294 9.0199 9.0199 9.0706 9.0706 9.1074 9.1074 9.1879 9.1879 10.6126 10.6126 10.7364 10.7364 11.3775 11.3775 11.4211 11.4211 k = 0.3659 0.3678 0.3090 ( 4548 PWs) bands (ev): -2.2418 -2.2418 -2.2411 -2.2411 -1.6163 -1.6163 -1.6133 -1.6133 3.7294 3.7294 3.7864 3.7864 3.9545 3.9545 3.9791 3.9791 6.6913 6.6913 6.8499 6.8499 7.3446 7.3446 7.4574 7.4574 7.7445 7.7445 7.8583 7.8583 8.3074 8.3074 8.4187 8.4187 9.0175 9.0175 9.0670 9.0670 9.1058 9.1058 9.1822 9.1822 10.6153 10.6153 10.7287 10.7287 11.3833 11.3833 11.4359 11.4359 k = 0.3537 0.3678 0.3090 ( 4544 PWs) bands (ev): -2.2594 -2.2594 -2.2587 -2.2587 -1.6463 -1.6463 -1.6436 -1.6436 3.7870 3.7870 3.8423 3.8423 4.0061 4.0061 4.0311 4.0311 6.6926 6.6926 6.8450 6.8450 7.3582 7.3582 7.4812 7.4812 7.7232 7.7232 7.8472 7.8472 8.3004 8.3004 8.4069 8.4069 9.0154 9.0154 9.0634 9.0634 9.1045 9.1045 9.1768 9.1768 10.6177 10.6177 10.7214 10.7214 11.3748 11.3748 11.4431 11.4431 k = 0.3415 0.3678 0.3090 ( 4540 PWs) bands (ev): -2.2778 -2.2778 -2.2771 -2.2771 -1.6776 -1.6776 -1.6750 -1.6750 3.8465 3.8465 3.9000 3.9000 4.0611 4.0611 4.0866 4.0866 6.6964 6.6964 6.8423 6.8423 7.3703 7.3703 7.5049 7.5049 7.7023 7.7023 7.8383 7.8383 8.2923 8.2923 8.3941 8.3941 9.0137 9.0137 9.0600 9.0600 9.1033 9.1033 9.1718 9.1718 10.6196 10.6196 10.7143 10.7143 11.3583 11.3583 11.4375 11.4375 k = 0.3293 0.3678 0.3090 ( 4536 PWs) bands (ev): -2.2969 -2.2969 -2.2962 -2.2962 -1.7097 -1.7097 -1.7074 -1.7074 3.9074 3.9074 3.9587 3.9587 4.1191 4.1191 4.1452 4.1452 6.7033 6.7033 6.8425 6.8425 7.3798 7.3798 7.5258 7.5258 7.6847 7.6847 7.8328 7.8328 8.2832 8.2832 8.3803 8.3803 9.0123 9.0123 9.0568 9.0568 9.1024 9.1024 9.1671 9.1671 10.6210 10.6210 10.7073 10.7073 11.3373 11.3373 11.4227 11.4227 k = 0.3171 0.3678 0.3090 ( 4532 PWs) bands (ev): -2.3165 -2.3165 -2.3159 -2.3159 -1.7426 -1.7426 -1.7405 -1.7405 3.9689 3.9689 4.0178 4.0178 4.1800 4.1800 4.2066 4.2066 6.7138 6.7138 6.8460 6.8460 7.3855 7.3855 7.5383 7.5383 7.6759 7.6759 7.8319 7.8319 8.2733 8.2733 8.3657 8.3657 9.0113 9.0113 9.0537 9.0537 9.1015 9.1015 9.1628 9.1628 10.6218 10.6218 10.7005 10.7005 11.3136 11.3136 11.4029 11.4029 k = 0.3049 0.3678 0.3090 ( 4544 PWs) bands (ev): -2.3366 -2.3366 -2.3360 -2.3360 -1.7759 -1.7759 -1.7740 -1.7740 4.0304 4.0304 4.0766 4.0766 4.2433 4.2433 4.2706 4.2706 6.7283 6.7283 6.8534 6.8534 7.3864 7.3864 7.5357 7.5357 7.6828 7.6828 7.8365 7.8365 8.2625 8.2625 8.3503 8.3503 9.0106 9.0106 9.0509 9.0509 9.1007 9.1007 9.1590 9.1590 10.6219 10.6219 10.6936 10.6936 11.2883 11.2883 11.3806 11.3806 k = 0.2927 0.3678 0.3090 ( 4560 PWs) bands (ev): -2.3570 -2.3570 -2.3564 -2.3564 -1.8094 -1.8094 -1.8077 -1.8077 4.0911 4.0911 4.1345 4.1345 4.3090 4.3090 4.3369 4.3369 6.7473 6.7473 6.8651 6.8651 7.3821 7.3821 7.5184 7.5184 7.7050 7.7050 7.8474 7.8474 8.2511 8.2511 8.3343 8.3343 9.0102 9.0102 9.0483 9.0483 9.0999 9.0999 9.1556 9.1556 10.6213 10.6213 10.6866 10.6866 11.2621 11.2621 11.3571 11.3571 k = 0.2805 0.3678 0.3090 ( 4560 PWs) bands (ev): -2.3775 -2.3775 -2.3770 -2.3770 -1.8430 -1.8430 -1.8414 -1.8414 4.1504 4.1504 4.1908 4.1908 4.3765 4.3765 4.4052 4.4052 6.7711 6.7711 6.8817 6.8817 7.3723 7.3723 7.4923 7.4923 7.7369 7.7369 7.8646 7.8646 8.2391 8.2391 8.3179 8.3179 9.0101 9.0101 9.0460 9.0460 9.0991 9.0991 9.1527 9.1527 10.6199 10.6199 10.6794 10.6794 11.2359 11.2359 11.3335 11.3335 k = 0.2683 0.3678 0.3090 ( 4564 PWs) bands (ev): -2.3981 -2.3981 -2.3976 -2.3976 -1.8763 -1.8763 -1.8750 -1.8750 4.2077 4.2077 4.2449 4.2449 4.4456 4.4456 4.4751 4.4751 6.8000 6.8000 6.9034 6.9034 7.3578 7.3578 7.4615 7.4615 7.7743 7.7743 7.8878 7.8878 8.2269 8.2269 8.3012 8.3012 9.0102 9.0102 9.0439 9.0439 9.0982 9.0982 9.1501 9.1501 10.6177 10.6177 10.6719 10.6719 11.2102 11.2102 11.3105 11.3105 k = 0.2561 0.3678 0.3090 ( 4560 PWs) bands (ev): -2.4186 -2.4186 -2.4181 -2.4181 -1.9093 -1.9093 -1.9081 -1.9081 4.2624 4.2624 4.2964 4.2964 4.5161 4.5161 4.5464 4.5464 6.8337 6.8337 6.9302 6.9302 7.3394 7.3394 7.4283 7.4283 7.8152 7.8152 7.9161 7.9161 8.2146 8.2146 8.2846 8.2846 9.0104 9.0104 9.0421 9.0421 9.0973 9.0973 9.1479 9.1479 10.6145 10.6145 10.6640 10.6640 11.1855 11.1855 11.2885 11.2885 k = 0.2439 0.3678 0.3090 ( 4564 PWs) bands (ev): -2.4389 -2.4389 -2.4385 -2.4385 -1.9418 -1.9418 -1.9407 -1.9407 4.3140 4.3140 4.3448 4.3448 4.5876 4.5876 4.6187 4.6187 6.8719 6.8719 6.9620 6.9620 7.3187 7.3187 7.3942 7.3942 7.8585 7.8585 7.9486 7.9486 8.2025 8.2025 8.2680 8.2680 9.0105 9.0105 9.0404 9.0404 9.0960 9.0960 9.1460 9.1460 10.6104 10.6104 10.6556 10.6556 11.1625 11.1625 11.2682 11.2682 k = 0.2317 0.3678 0.3090 ( 4572 PWs) bands (ev): -2.4589 -2.4589 -2.4585 -2.4585 -1.9735 -1.9735 -1.9726 -1.9726 4.3622 4.3622 4.3896 4.3896 4.6598 4.6598 4.6917 4.6917 6.9133 6.9133 6.9979 6.9979 7.2975 7.2975 7.3606 7.3606 7.9035 7.9035 7.9840 7.9840 8.1912 8.1912 8.2519 8.2519 9.0104 9.0104 9.0388 9.0388 9.0945 9.0945 9.1443 9.1443 10.6052 10.6052 10.6466 10.6466 11.1416 11.1416 11.2500 11.2500 k = 0.2195 0.3678 0.3090 ( 4572 PWs) bands (ev): -2.4785 -2.4785 -2.4781 -2.4781 -2.0044 -2.0044 -2.0036 -2.0036 4.4066 4.4066 4.4307 4.4307 4.7325 4.7325 4.7652 4.7652 6.9554 6.9554 7.0358 7.0358 7.2795 7.2795 7.3299 7.3299 7.9495 7.9495 8.0208 8.0208 8.1818 8.1818 8.2366 8.2366 9.0099 9.0099 9.0373 9.0373 9.0926 9.0926 9.1427 9.1427 10.5989 10.5989 10.6370 10.6370 11.1235 11.1235 11.2344 11.2344 k = 0.2073 0.3678 0.3090 ( 4572 PWs) bands (ev): -2.4975 -2.4975 -2.4972 -2.4972 -2.0343 -2.0343 -2.0337 -2.0337 4.4470 4.4470 4.4679 4.4679 4.8053 4.8053 4.8388 4.8388 6.9927 6.9927 7.0705 7.0705 7.2705 7.2705 7.3069 7.3069 7.9953 7.9953 8.0564 8.0564 8.1763 8.1763 8.2228 8.2228 9.0087 9.0087 9.0359 9.0359 9.0904 9.0904 9.1413 9.1413 10.5916 10.5916 10.6266 10.6266 11.1086 11.1086 11.2219 11.2219 k = 0.1951 0.3678 0.3090 ( 4564 PWs) bands (ev): -2.5160 -2.5160 -2.5156 -2.5156 -2.0631 -2.0631 -2.0626 -2.0626 4.4834 4.4834 4.5012 4.5012 4.8781 4.8781 4.9123 4.9123 7.0165 7.0165 7.0921 7.0921 7.2796 7.2796 7.3014 7.3014 8.0389 8.0389 8.0858 8.0858 8.1796 8.1796 8.2122 8.2122 9.0066 9.0066 9.0346 9.0346 9.0878 9.0878 9.1401 9.1401 10.5830 10.5830 10.6153 10.6153 11.0974 11.0974 11.2129 11.2129 k = 0.1829 0.3678 0.3090 ( 4568 PWs) bands (ev): -2.5337 -2.5337 -2.5334 -2.5334 -2.0907 -2.0907 -2.0902 -2.0902 4.5157 4.5157 4.5306 4.5306 4.9505 4.9505 4.9853 4.9853 7.0196 7.0196 7.0911 7.0911 7.3116 7.3116 7.3246 7.3246 8.0729 8.0729 8.1061 8.1061 8.1940 8.1940 8.2120 8.2120 9.0033 9.0033 9.0330 9.0330 9.0847 9.0847 9.1387 9.1387 10.5731 10.5731 10.6031 10.6031 11.0904 11.0904 11.2075 11.2075 k = 0.1707 0.3678 0.3090 ( 4564 PWs) bands (ev): -2.5507 -2.5507 -2.5504 -2.5504 -2.1169 -2.1169 -2.1165 -2.1165 4.5440 4.5440 4.5563 4.5563 5.0223 5.0223 5.0576 5.0576 7.0043 7.0043 7.0701 7.0701 7.3628 7.3628 7.3745 7.3745 8.0846 8.0846 8.1240 8.1240 8.2080 8.2080 8.2391 8.2391 8.9988 8.9988 9.0312 9.0312 9.0812 9.0812 9.1373 9.1373 10.5620 10.5620 10.5899 10.5899 11.0880 11.0880 11.2061 11.2061 k = 0.1585 0.3678 0.3090 ( 4560 PWs) bands (ev): -2.5668 -2.5668 -2.5665 -2.5665 -2.1417 -2.1417 -2.1414 -2.1414 4.5686 4.5686 4.5785 4.5785 5.0932 5.0932 5.1288 5.1288 6.9777 6.9777 7.0381 7.0381 7.4278 7.4278 7.4393 7.4393 8.0824 8.0824 8.1308 8.1308 8.2367 8.2367 8.2784 8.2784 8.9928 8.9928 9.0286 9.0286 9.0776 9.0776 9.1359 9.1359 10.5496 10.5496 10.5756 10.5756 11.0904 11.0904 11.2088 11.2088 k = 0.1463 0.3678 0.3090 ( 4564 PWs) bands (ev): -2.5820 -2.5820 -2.5817 -2.5817 -2.1650 -2.1650 -2.1647 -2.1647 4.5898 4.5898 4.5976 4.5976 5.1628 5.1628 5.1986 5.1986 6.9448 6.9448 7.0007 7.0007 7.5011 7.5011 7.5121 7.5121 8.0763 8.0763 8.1281 8.1281 8.2773 8.2773 8.3206 8.3206 8.9852 8.9852 9.0246 9.0246 9.0741 9.0741 9.1344 9.1344 10.5359 10.5359 10.5602 10.5602 11.0978 11.0978 11.2156 11.2156 k = 0.1341 0.3678 0.3090 ( 4560 PWs) bands (ev): -2.5962 -2.5962 -2.5960 -2.5960 -2.1867 -2.1867 -2.1865 -2.1865 4.6077 4.6077 4.6137 4.6137 5.2309 5.2309 5.2667 5.2667 6.9086 6.9086 6.9606 6.9606 7.5788 7.5788 7.5893 7.5893 8.0695 8.0695 8.1230 8.1230 8.3217 8.3217 8.3633 8.3633 8.9760 8.9760 9.0189 9.0189 9.0710 9.0710 9.1328 9.1328 10.5209 10.5209 10.5436 10.5436 11.1104 11.1104 11.2265 11.2265 k = 0.1220 0.3678 0.3090 ( 4568 PWs) bands (ev): -2.6094 -2.6094 -2.6091 -2.6091 -2.2067 -2.2067 -2.2066 -2.2066 4.6228 4.6228 4.6272 4.6272 5.2972 5.2972 5.3326 5.3326 6.8706 6.8706 6.9193 6.9193 7.6576 7.6576 7.6684 7.6684 8.0635 8.0635 8.1187 8.1187 8.3666 8.3666 8.4055 8.4055 8.9651 8.9651 9.0109 9.0109 9.0686 9.0686 9.1310 9.1310 10.5047 10.5047 10.5259 10.5259 11.1279 11.1279 11.2411 11.2411 k = 0.1098 0.3678 0.3090 ( 4568 PWs) bands (ev): -2.6214 -2.6214 -2.6212 -2.6212 -2.2250 -2.2250 -2.2249 -2.2249 4.6352 4.6352 4.6384 4.6384 5.3611 5.3611 5.3959 5.3959 6.8321 6.8321 6.8776 6.8776 7.7347 7.7347 7.7470 7.7470 8.0593 8.0593 8.1176 8.1176 8.4104 8.4104 8.4461 8.4461 8.9527 8.9527 9.0005 9.0005 9.0671 9.0671 9.1291 9.1291 10.4875 10.4875 10.5072 10.5072 11.1501 11.1501 11.2589 11.2589 k = 0.0976 0.3678 0.3090 ( 4564 PWs) bands (ev): -2.6323 -2.6323 -2.6322 -2.6322 -2.2415 -2.2415 -2.2414 -2.2414 4.6455 4.6455 4.6476 4.6476 5.4223 5.4223 5.4561 5.4561 6.7938 6.7938 6.8363 6.8363 7.8062 7.8062 7.8219 7.8219 8.0589 8.0589 8.1219 8.1219 8.4521 8.4521 8.4847 8.4847 8.9389 8.9389 8.9877 8.9877 9.0665 9.0665 9.1270 9.1270 10.4695 10.4695 10.4877 10.4877 11.1764 11.1764 11.2792 11.2792 k = 0.0854 0.3678 0.3090 ( 4564 PWs) bands (ev): -2.6420 -2.6420 -2.6419 -2.6419 -2.2562 -2.2562 -2.2561 -2.2561 4.6538 4.6538 4.6551 4.6551 5.4802 5.4802 5.5124 5.5124 6.7566 6.7566 6.7959 6.7959 7.8674 7.8674 7.8882 7.8882 8.0661 8.0661 8.1349 8.1349 8.4910 8.4910 8.5204 8.5204 8.9238 8.9238 8.9726 8.9726 9.0668 9.0668 9.1246 9.1246 10.4513 10.4513 10.4677 10.4677 11.2058 11.2058 11.3009 11.3009 k = 0.0732 0.3678 0.3090 ( 4556 PWs) bands (ev): -2.6505 -2.6505 -2.6504 -2.6504 -2.2690 -2.2690 -2.2690 -2.2690 4.6603 4.6603 4.6611 4.6611 5.5341 5.5341 5.5642 5.5642 6.7215 6.7215 6.7571 6.7571 7.9134 7.9134 7.9373 7.9373 8.0882 8.0882 8.1595 8.1595 8.5262 8.5262 8.5527 8.5527 8.9081 8.9081 8.9557 8.9557 9.0680 9.0680 9.1219 9.1219 10.4333 10.4333 10.4479 10.4479 11.2372 11.2372 11.3230 11.3230 k = 0.0610 0.3678 0.3090 ( 4552 PWs) bands (ev): -2.6578 -2.6578 -2.6577 -2.6577 -2.2799 -2.2799 -2.2799 -2.2799 4.6655 4.6655 4.6659 4.6659 5.5832 5.5832 5.6104 5.6104 6.6893 6.6893 6.7208 6.7208 7.9431 7.9431 7.9637 7.9637 8.1291 8.1291 8.1951 8.1951 8.5573 8.5573 8.5806 8.5806 8.8924 8.8924 8.9375 8.9375 9.0700 9.0700 9.1186 9.1186 10.4162 10.4162 10.4288 10.4288 11.2691 11.2691 11.3439 11.3439 k = 0.0488 0.3678 0.3090 ( 4548 PWs) bands (ev): -2.6637 -2.6637 -2.6637 -2.6637 -2.2889 -2.2889 -2.2888 -2.2888 4.6694 4.6694 4.6696 4.6696 5.6265 5.6265 5.6500 5.6500 6.6611 6.6611 6.6879 6.6879 7.9599 7.9599 7.9744 7.9744 8.1801 8.1801 8.2361 8.2361 8.5835 8.5835 8.6032 8.6032 8.8779 8.8779 8.9187 8.9187 9.0730 9.0730 9.1148 9.1148 10.4008 10.4008 10.4112 10.4112 11.3001 11.3001 11.3622 11.3622 k = 0.0366 0.3678 0.3090 ( 4544 PWs) bands (ev): -2.6684 -2.6684 -2.6683 -2.6683 -2.2959 -2.2959 -2.2958 -2.2958 4.6722 4.6722 4.6723 4.6723 5.6630 5.6630 5.6819 5.6819 6.6384 6.6384 6.6596 6.6596 7.9689 7.9689 7.9781 7.9781 8.2305 8.2305 8.2748 8.2748 8.6044 8.6044 8.6198 8.6198 8.8661 8.8661 8.9002 8.9002 9.0770 9.0770 9.1102 9.1102 10.3879 10.3879 10.3960 10.3960 11.3284 11.3284 11.3764 11.3764 k = 0.0244 0.3678 0.3090 ( 4544 PWs) bands (ev): -2.6717 -2.6717 -2.6717 -2.6717 -2.3009 -2.3009 -2.3009 -2.3009 4.6741 4.6741 4.6742 4.6742 5.6914 5.6914 5.7046 5.7046 6.6221 6.6221 6.6369 6.6369 7.9737 7.9737 7.9790 7.9790 8.2737 8.2737 8.3049 8.3049 8.6196 8.6196 8.6301 8.6301 8.8585 8.8585 8.8833 8.8833 9.0818 9.0818 9.1051 9.1051 10.3785 10.3785 10.3839 10.3839 11.3525 11.3525 11.3852 11.3852 k = 0.0122 0.3678 0.3090 ( 4532 PWs) bands (ev): -2.6737 -2.6737 -2.6737 -2.6737 -2.3039 -2.3039 -2.3039 -2.3039 4.6752 4.6752 4.6753 4.6753 5.7105 5.7105 5.7173 5.7173 6.6135 6.6135 6.6211 6.6211 7.9763 7.9763 7.9788 7.9788 8.3052 8.3052 8.3216 8.3216 8.6295 8.6295 8.6347 8.6347 8.8564 8.8564 8.8695 8.8695 9.0874 9.0874 9.0994 9.0994 10.3730 10.3730 10.3758 10.3758 11.3709 11.3709 11.3875 11.3875 k = 0.0000 0.3678 0.3090 ( 4532 PWs) bands (ev): -2.6744 -2.6744 -2.6744 -2.6744 -2.3049 -2.3049 -2.3049 -2.3049 4.6756 4.6756 4.6756 4.6756 5.7193 5.7193 5.7193 5.7193 6.6131 6.6131 6.6131 6.6131 7.9779 7.9779 7.9779 7.9779 8.3218 8.3218 8.3218 8.3218 8.6344 8.6344 8.6344 8.6344 8.8602 8.8602 8.8602 8.8602 9.0934 9.0934 9.0934 9.0934 10.3721 10.3721 10.3721 10.3721 11.3827 11.3827 11.3827 11.3827 k = 0.0000 0.3678 0.3090 ( 4532 PWs) bands (ev): -2.6744 -2.6744 -2.6744 -2.6744 -2.3049 -2.3049 -2.3049 -2.3049 4.6756 4.6756 4.6756 4.6756 5.7193 5.7193 5.7193 5.7193 6.6131 6.6131 6.6131 6.6131 7.9779 7.9779 7.9779 7.9779 8.3218 8.3218 8.3218 8.3218 8.6344 8.6344 8.6344 8.6344 8.8602 8.8602 8.8602 8.8602 9.0934 9.0934 9.0934 9.0934 10.3721 10.3721 10.3721 10.3721 11.3827 11.3827 11.3827 11.3827 k = 0.0000 0.3556 0.3090 ( 4544 PWs) bands (ev): -2.6865 -2.6865 -2.6863 -2.6863 -2.2914 -2.2914 -2.2912 -2.2912 4.6713 4.6713 4.6726 4.6726 5.7219 5.7219 5.7258 5.7258 6.6121 6.6121 6.6146 6.6146 7.9643 7.9643 7.9753 7.9753 8.3003 8.3003 8.3419 8.3419 8.6085 8.6085 8.6595 8.6595 8.8322 8.8322 8.8899 8.8899 9.0609 9.0609 9.1234 9.1234 10.3724 10.3724 10.3770 10.3770 11.3832 11.3832 11.3868 11.3868 k = 0.0000 0.3433 0.3090 ( 4544 PWs) bands (ev): -2.7183 -2.7183 -2.7179 -2.7179 -2.2551 -2.2551 -2.2546 -2.2546 4.6599 4.6599 4.6624 4.6624 5.7334 5.7334 5.7410 5.7410 6.6116 6.6116 6.6167 6.6167 7.9349 7.9349 7.9564 7.9564 8.2813 8.2813 8.3560 8.3560 8.5854 8.5854 8.6809 8.6809 8.8077 8.8077 8.9192 8.9192 9.0284 9.0284 9.1499 9.1499 10.3776 10.3776 10.3868 10.3868 11.3882 11.3882 11.3955 11.3955 k = 0.0000 0.3311 0.3090 ( 4542 PWs) bands (ev): -2.7620 -2.7620 -2.7615 -2.7615 -2.2037 -2.2037 -2.2031 -2.2031 4.6421 4.6421 4.6456 4.6456 5.7530 5.7530 5.7642 5.7642 6.6115 6.6115 6.6192 6.6192 7.8906 7.8906 7.9218 7.9218 8.2665 8.2665 8.3598 8.3598 8.5681 8.5681 8.6958 8.6958 8.7887 8.7887 8.9430 8.9430 9.0025 9.0025 9.1725 9.1725 10.3871 10.3871 10.4006 10.4006 11.3977 11.3977 11.4085 11.4085 k = 0.0000 0.3188 0.3090 ( 4546 PWs) bands (ev): -2.8117 -2.8117 -2.8112 -2.8112 -2.1432 -2.1432 -2.1425 -2.1425 4.6188 4.6188 4.6232 4.6232 5.7798 5.7798 5.7945 5.7945 6.6118 6.6118 6.6223 6.6223 7.8325 7.8325 7.8724 7.8724 8.2556 8.2556 8.3520 8.3520 8.5574 8.5574 8.7016 8.7016 8.7770 8.7770 8.9445 8.9445 9.0025 9.0025 9.1915 9.1915 10.3997 10.3997 10.4174 10.4174 11.4115 11.4115 11.4259 11.4259 k = 0.0000 0.3065 0.3090 ( 4542 PWs) bands (ev): -2.8639 -2.8639 -2.8635 -2.8635 -2.0771 -2.0771 -2.0763 -2.0763 4.5909 4.5909 4.5959 4.5959 5.8125 5.8125 5.8306 5.8306 6.6124 6.6124 6.6259 6.6259 7.7627 7.7627 7.8100 7.8100 8.2469 8.2469 8.3350 8.3350 8.5510 8.5510 8.6966 8.6966 8.7732 8.7732 8.9299 8.9299 9.0249 9.0249 9.2073 9.2073 10.4144 10.4144 10.4358 10.4358 11.4295 11.4295 11.4475 11.4475 k = 0.0000 0.2943 0.3090 ( 4542 PWs) bands (ev): -2.9170 -2.9170 -2.9165 -2.9165 -2.0073 -2.0073 -2.0065 -2.0065 4.5595 4.5595 4.5650 4.5650 5.8500 5.8500 5.8713 5.8713 6.6132 6.6132 6.6300 6.6300 7.6833 7.6833 7.7365 7.7365 8.2385 8.2385 8.3125 8.3125 8.5461 8.5461 8.6819 8.6819 8.7760 8.7760 8.9187 8.9187 9.0513 9.0513 9.2206 9.2206 10.4298 10.4298 10.4546 10.4546 11.4515 11.4515 11.4729 11.4729 k = 0.0000 0.2820 0.3090 ( 4538 PWs) bands (ev): -2.9698 -2.9698 -2.9693 -2.9693 -1.9349 -1.9349 -1.9341 -1.9341 4.5255 4.5255 4.5313 4.5313 5.8908 5.8908 5.9152 5.9152 6.6140 6.6140 6.6346 6.6346 7.5965 7.5965 7.6543 7.6543 8.2283 8.2283 8.2877 8.2877 8.5416 8.5416 8.6605 8.6605 8.7837 8.7837 8.9135 8.9135 9.0776 9.0776 9.2318 9.2318 10.4449 10.4449 10.4727 10.4727 11.4770 11.4770 11.5020 11.5020 k = 0.0000 0.2698 0.3090 ( 4542 PWs) bands (ev): -3.0216 -3.0216 -3.0211 -3.0211 -1.8609 -1.8609 -1.8600 -1.8600 4.4897 4.4897 4.4957 4.4957 5.9337 5.9337 5.9612 5.9612 6.6146 6.6146 6.6396 6.6396 7.5042 7.5042 7.5659 7.5659 8.2141 8.2141 8.2630 8.2630 8.5377 8.5377 8.6366 8.6366 8.7944 8.7944 8.9125 8.9125 9.1030 9.1030 9.2415 9.2415 10.4588 10.4588 10.4893 10.4893 11.5059 11.5059 11.5343 11.5343 k = 0.0000 0.2575 0.3090 ( 4542 PWs) bands (ev): -3.0721 -3.0721 -3.0716 -3.0716 -1.7856 -1.7856 -1.7847 -1.7847 4.4528 4.4528 4.4588 4.4588 5.9773 5.9773 6.0079 6.0079 6.6146 6.6146 6.6449 6.6449 7.4084 7.4084 7.4742 7.4742 8.1939 8.1939 8.2400 8.2400 8.5351 8.5351 8.6139 8.6139 8.8066 8.8066 8.9136 8.9136 9.1271 9.1271 9.2502 9.2502 10.4710 10.4710 10.5037 10.5037 11.5375 11.5375 11.5696 11.5696 k = 0.0000 0.2452 0.3090 ( 4540 PWs) bands (ev): -3.1209 -3.1209 -3.1205 -3.1205 -1.7096 -1.7096 -1.7087 -1.7087 4.4153 4.4153 4.4212 4.4212 6.0202 6.0202 6.0539 6.0539 6.6137 6.6137 6.6506 6.6506 7.3111 7.3111 7.3821 7.3821 8.1679 8.1679 8.2181 8.2181 8.5342 8.5342 8.5953 8.5953 8.8189 8.8189 8.9154 8.9154 9.1499 9.1499 9.2581 9.2581 10.4809 10.4809 10.5154 10.5154 11.5714 11.5714 11.6073 11.6073 k = 0.0000 0.2330 0.3090 ( 4542 PWs) bands (ev): -3.1680 -3.1680 -3.1676 -3.1676 -1.6333 -1.6333 -1.6323 -1.6323 4.3776 4.3776 4.3835 4.3835 6.0607 6.0607 6.0974 6.0974 6.6111 6.6111 6.6564 6.6564 7.2146 7.2146 7.2927 7.2927 8.1381 8.1381 8.1954 8.1954 8.5353 8.5353 8.5824 8.5824 8.8308 8.8308 8.9172 8.9172 9.1713 9.1713 9.2655 9.2655 10.4883 10.4883 10.5243 10.5243 11.6068 11.6068 11.6470 11.6470 k = 0.0000 0.2207 0.3090 ( 4548 PWs) bands (ev): -3.2131 -3.2131 -3.2127 -3.2127 -1.5570 -1.5570 -1.5560 -1.5560 4.3402 4.3402 4.3460 4.3460 6.0968 6.0968 6.1364 6.1364 6.6065 6.6065 6.6623 6.6623 7.1215 7.1215 7.2094 7.2094 8.1062 8.1062 8.1707 8.1707 8.5383 8.5383 8.5758 8.5758 8.8415 8.8415 8.9185 8.9185 9.1912 9.1912 9.2726 9.2726 10.4930 10.4930 10.5303 10.5303 11.6432 11.6432 11.6881 11.6881 k = 0.0000 0.2084 0.3090 ( 4540 PWs) bands (ev): -3.2561 -3.2561 -3.2557 -3.2557 -1.4811 -1.4811 -1.4801 -1.4801 4.3034 4.3034 4.3090 4.3090 6.1257 6.1257 6.1678 6.1678 6.5998 6.5998 6.6681 6.6681 7.0353 7.0353 7.1360 7.1360 8.0735 8.0735 8.1438 8.1438 8.5434 8.5434 8.5754 8.5754 8.8510 8.8510 8.9193 8.9193 9.2098 9.2098 9.2794 9.2794 10.4952 10.4952 10.5334 10.5334 11.6794 11.6794 11.7296 11.7296 k = 0.0000 0.1962 0.3090 ( 4542 PWs) bands (ev): -3.2970 -3.2970 -3.2966 -3.2966 -1.4060 -1.4060 -1.4050 -1.4050 4.2674 4.2674 4.2728 4.2728 6.1441 6.1441 6.1880 6.1880 6.5918 6.5918 6.6735 6.6735 6.9602 6.9602 7.0756 7.0756 8.0405 8.0405 8.1152 8.1152 8.5507 8.5507 8.5803 8.5803 8.8592 8.8592 8.9197 8.9197 9.2268 9.2268 9.2859 9.2859 10.4947 10.4947 10.5336 10.5336 11.7142 11.7142 11.7704 11.7704 k = 0.0000 0.1839 0.3090 ( 4556 PWs) bands (ev): -3.3356 -3.3356 -3.3352 -3.3352 -1.3320 -1.3320 -1.3310 -1.3310 4.2325 4.2325 4.2377 4.2377 6.1481 6.1481 6.1924 6.1924 6.5852 6.5852 6.6782 6.6782 6.9007 6.9007 7.0305 7.0305 8.0077 8.0077 8.0857 8.0857 8.5606 8.5606 8.5894 8.5894 8.8661 8.8661 8.9195 8.9195 9.2424 9.2424 9.2921 9.2921 10.4917 10.4917 10.5311 10.5311 11.7465 11.7465 11.8091 11.8091 k = 0.0000 0.1717 0.3090 ( 4570 PWs) bands (ev): -3.3719 -3.3719 -3.3716 -3.3716 -1.2596 -1.2596 -1.2586 -1.2586 4.1988 4.1988 4.2038 4.2038 6.1348 6.1348 6.1777 6.1777 6.5836 6.5836 6.6820 6.6820 6.8604 6.8604 7.0008 7.0008 7.9754 7.9754 8.0559 8.0559 8.5731 8.5731 8.6017 8.6017 8.8719 8.8719 8.9189 8.9189 9.2566 9.2566 9.2979 9.2979 10.4864 10.4864 10.5259 10.5259 11.7746 11.7746 11.8435 11.8435 k = 0.0000 0.1594 0.3090 ( 4570 PWs) bands (ev): -3.4059 -3.4059 -3.4056 -3.4056 -1.1892 -1.1892 -1.1882 -1.1882 4.1665 4.1665 4.1712 4.1712 6.1036 6.1036 6.1439 6.1439 6.5890 6.5890 6.6856 6.6856 6.8399 6.8399 6.9848 6.9848 7.9440 7.9440 8.0266 8.0266 8.5880 8.5880 8.6165 8.6165 8.8768 8.8768 8.9182 8.9182 9.2695 9.2695 9.3033 9.3033 10.4790 10.4790 10.5185 10.5185 11.7972 11.7972 11.8714 11.8714 k = 0.0000 0.1471 0.3090 ( 4558 PWs) bands (ev): -3.4375 -3.4375 -3.4372 -3.4372 -1.1211 -1.1211 -1.1202 -1.1202 4.1357 4.1357 4.1402 4.1402 6.0575 6.0575 6.0946 6.0946 6.6006 6.6006 6.6899 6.6899 6.8354 6.8354 6.9798 6.9798 7.9138 7.9138 7.9982 7.9982 8.6051 8.6051 8.6334 8.6334 8.8811 8.8811 8.9175 8.9175 9.2810 9.2810 9.3084 9.3084 10.4698 10.4698 10.5088 10.5088 11.8137 11.8137 11.8904 11.8904 k = 0.0000 0.1349 0.3090 ( 4560 PWs) bands (ev): -3.4667 -3.4667 -3.4664 -3.4664 -1.0560 -1.0560 -1.0551 -1.0551 4.1067 4.1067 4.1109 4.1109 6.0012 6.0012 6.0352 6.0352 6.6161 6.6161 6.6955 6.6955 6.8420 6.8420 6.9830 6.9830 7.8850 7.8850 7.9711 7.9711 8.6238 8.6238 8.6517 8.6517 8.8848 8.8848 8.9168 8.9168 9.2913 9.2913 9.3129 9.3129 10.4588 10.4588 10.4973 10.4973 11.8239 11.8239 11.8999 11.8999 k = 0.0000 0.1226 0.3090 ( 4556 PWs) bands (ev): -3.4934 -3.4934 -3.4932 -3.4932 -0.9942 -0.9942 -0.9933 -0.9933 4.0795 4.0795 4.0834 4.0834 5.9396 5.9396 5.9707 5.9707 6.6334 6.6334 6.7020 6.7020 6.8552 6.8552 6.9921 6.9921 7.8578 7.8578 7.9456 7.9456 8.6438 8.6438 8.6710 8.6710 8.8882 8.8882 8.9164 8.9164 9.3003 9.3003 9.3170 9.3170 10.4466 10.4466 10.4841 10.4841 11.8285 11.8285 11.9009 11.9009 k = 0.0000 0.1104 0.3090 ( 4552 PWs) bands (ev): -3.5177 -3.5177 -3.5174 -3.5174 -0.9362 -0.9362 -0.9353 -0.9353 4.0542 4.0542 4.0579 4.0579 5.8767 5.8767 5.9052 5.9052 6.6508 6.6508 6.7090 6.7090 6.8717 6.8717 7.0050 7.0050 7.8325 7.8325 7.9221 7.9221 8.6643 8.6643 8.6907 8.6907 8.8917 8.8917 8.9164 8.9164 9.3080 9.3080 9.3206 9.3206 10.4333 10.4333 10.4697 10.4697 11.8287 11.8287 11.8957 11.8957 k = 0.0000 0.0981 0.3090 ( 4552 PWs) bands (ev): -3.5394 -3.5394 -3.5392 -3.5392 -0.8825 -0.8825 -0.8817 -0.8817 4.0310 4.0310 4.0345 4.0345 5.8152 5.8152 5.8416 5.8416 6.6675 6.6675 6.7158 6.7158 6.8893 6.8893 7.0201 7.0201 7.8091 7.8091 7.9007 7.9007 8.6848 8.6848 8.7101 8.7101 8.8955 8.8955 8.9169 8.9169 9.3145 9.3145 9.3237 9.3237 10.4195 10.4195 10.4544 10.4544 11.8259 11.8259 11.8864 11.8864 k = 0.0000 0.0858 0.3090 ( 4542 PWs) bands (ev): -3.5587 -3.5587 -3.5584 -3.5584 -0.8337 -0.8337 -0.8330 -0.8330 4.0101 4.0101 4.0133 4.0133 5.7575 5.7575 5.7819 5.7819 6.6829 6.6829 6.7223 6.7223 6.9065 6.9065 7.0362 7.0362 7.7881 7.7881 7.8817 7.8817 8.7046 8.7046 8.7286 8.7286 8.8997 8.8997 8.9181 8.9181 9.3197 9.3197 9.3265 9.3265 10.4056 10.4056 10.4388 10.4388 11.8213 11.8213 11.8748 11.8748 k = 0.0000 0.0736 0.3090 ( 4542 PWs) bands (ev): -3.5754 -3.5754 -3.5752 -3.5752 -0.7902 -0.7902 -0.7895 -0.7895 3.9916 3.9916 3.9945 3.9945 5.7049 5.7049 5.7278 5.7278 6.6966 6.6966 6.7281 6.7281 6.9224 6.9224 7.0521 7.0521 7.7694 7.7694 7.8650 7.8650 8.7230 8.7230 8.7453 8.7453 8.9045 8.9045 8.9201 8.9201 9.3233 9.3233 9.3293 9.3293 10.3921 10.3921 10.4233 10.4233 11.8159 11.8159 11.8621 11.8621 k = 0.0000 0.0613 0.3090 ( 4526 PWs) bands (ev): -3.5896 -3.5896 -3.5893 -3.5893 -0.7524 -0.7524 -0.7519 -0.7519 3.9757 3.9757 3.9782 3.9782 5.6588 5.6588 5.6804 5.6804 6.7085 6.7085 6.7331 6.7331 6.9364 6.9364 7.0668 7.0668 7.7533 7.7533 7.8508 7.8508 8.7393 8.7393 8.7599 8.7599 8.9100 8.9100 8.9228 8.9228 9.3256 9.3256 9.3321 9.3321 10.3796 10.3796 10.4086 10.4086 11.8107 11.8107 11.8494 11.8494 k = 0.0000 0.0490 0.3090 ( 4518 PWs) bands (ev): -3.6012 -3.6012 -3.6009 -3.6009 -0.7209 -0.7209 -0.7204 -0.7204 3.9624 3.9624 3.9647 3.9647 5.6199 5.6199 5.6405 5.6405 6.7187 6.7187 6.7371 6.7371 6.9481 6.9481 7.0797 7.0797 7.7400 7.7400 7.8392 7.8392 8.7530 8.7530 8.7717 8.7717 8.9159 8.9159 8.9260 8.9260 9.3269 9.3269 9.3346 9.3346 10.3684 10.3684 10.3953 10.3953 11.8062 11.8062 11.8374 11.8374 k = 0.0000 0.0368 0.3090 ( 4524 PWs) bands (ev): -3.6102 -3.6102 -3.6100 -3.6100 -0.6959 -0.6959 -0.6956 -0.6956 3.9519 3.9519 3.9539 3.9539 5.5891 5.5891 5.6089 5.6089 6.7269 6.7269 6.7400 6.7400 6.9573 6.9573 7.0903 7.0903 7.7294 7.7294 7.8301 7.8301 8.7637 8.7637 8.7806 8.7806 8.9218 8.9218 8.9292 8.9292 9.3275 9.3275 9.3366 9.3366 10.3592 10.3592 10.3840 10.3840 11.8031 11.8031 11.8266 11.8266 k = 0.0000 0.0245 0.3090 ( 4516 PWs) bands (ev): -3.6166 -3.6166 -3.6164 -3.6164 -0.6778 -0.6778 -0.6776 -0.6776 3.9443 3.9443 3.9462 3.9462 5.5667 5.5667 5.5860 5.5860 6.7333 6.7333 6.7417 6.7417 6.9638 6.9638 7.0981 7.0981 7.7218 7.7218 7.8236 7.8236 8.7714 8.7714 8.7867 8.7867 8.9269 8.9269 8.9319 8.9319 9.3279 9.3279 9.3379 9.3379 10.3523 10.3523 10.3754 10.3754 11.8018 11.8018 11.8176 11.8176 k = 0.0000 0.0123 0.3090 ( 4526 PWs) bands (ev): -3.6205 -3.6205 -3.6203 -3.6203 -0.6669 -0.6669 -0.6667 -0.6667 3.9398 3.9398 3.9414 3.9414 5.5532 5.5532 5.5721 5.5721 6.7379 6.7379 6.7420 6.7420 6.9678 6.9678 7.1028 7.1028 7.7172 7.7172 7.8197 7.8197 8.7760 8.7760 8.7902 8.7902 8.9306 8.9306 8.9334 8.9334 9.3280 9.3280 9.3387 9.3387 10.3481 10.3481 10.3700 10.3700 11.8024 11.8024 11.8105 11.8105 k = 0.0000 0.0000 0.3090 ( 4526 PWs) bands (ev): -3.6218 -3.6218 -3.6216 -3.6216 -0.6632 -0.6632 -0.6631 -0.6631 3.9382 3.9382 3.9399 3.9399 5.5486 5.5486 5.5674 5.5674 6.7407 6.7407 6.7408 6.7408 6.9691 6.9691 7.1044 7.1044 7.7156 7.7156 7.8184 7.8184 8.7775 8.7775 8.7914 8.7914 8.9322 8.9322 8.9337 8.9337 9.3280 9.3280 9.3389 9.3389 10.3467 10.3467 10.3682 10.3682 11.8043 11.8043 11.8064 11.8064 k = 0.0000 0.3678-0.0000 ( 4550 PWs) bands (ev): -3.2099 -3.2099 -3.2093 -3.2093 -1.4297 -1.4297 -1.4296 -1.4296 3.2633 3.2633 3.2640 3.2640 6.5531 6.5531 6.5628 6.5628 6.9448 6.9448 6.9802 6.9802 7.3290 7.3290 7.3800 7.3800 8.0617 8.0617 8.1327 8.1327 8.8469 8.8469 8.8859 8.8859 8.9362 8.9362 8.9697 8.9697 9.5319 9.5319 9.5917 9.5917 10.9204 10.9204 10.9785 10.9785 11.5260 11.5260 11.6078 11.6078 k = 0.0000 0.3678 0.0119 ( 4540 PWs) bands (ev): -3.2089 -3.2089 -3.2082 -3.2082 -1.4322 -1.4322 -1.4321 -1.4321 3.2671 3.2671 3.2679 3.2679 6.5503 6.5503 6.5646 6.5646 6.9394 6.9394 6.9744 6.9744 7.3355 7.3355 7.3856 7.3856 8.0625 8.0625 8.1342 8.1342 8.8457 8.8457 8.8857 8.8857 8.9339 8.9339 8.9667 8.9667 9.5305 9.5305 9.5902 9.5902 10.9210 10.9210 10.9790 10.9790 11.5254 11.5254 11.6072 11.6072 k = 0.0000 0.3678 0.0238 ( 4546 PWs) bands (ev): -3.2056 -3.2056 -3.2050 -3.2050 -1.4397 -1.4397 -1.4395 -1.4395 3.2785 3.2785 3.2795 3.2795 6.5443 6.5443 6.5678 6.5678 6.9234 6.9234 6.9588 6.9588 7.3534 7.3534 7.4017 7.4017 8.0650 8.0650 8.1386 8.1386 8.8415 8.8415 8.8850 8.8850 8.9268 8.9268 8.9578 8.9578 9.5262 9.5262 9.5858 9.5858 10.9224 10.9224 10.9802 10.9802 11.5237 11.5237 11.6053 11.6053 k = 0.0000 0.3678 0.0357 ( 4546 PWs) bands (ev): -3.2003 -3.2003 -3.1996 -3.1996 -1.4521 -1.4521 -1.4519 -1.4519 3.2976 3.2976 3.2987 3.2987 6.5365 6.5365 6.5707 6.5707 6.8977 6.8977 6.9370 6.9370 7.3794 7.3794 7.4272 7.4272 8.0692 8.0692 8.1460 8.1460 8.8337 8.8337 8.8836 8.8836 8.9155 8.9155 8.9442 8.9442 9.5192 9.5192 9.5785 9.5785 10.9245 10.9245 10.9818 10.9818 11.5209 11.5209 11.6022 11.6022 k = 0.0000 0.3678 0.0475 ( 4538 PWs) bands (ev): -3.1928 -3.1928 -3.1922 -3.1922 -1.4692 -1.4692 -1.4690 -1.4690 3.3239 3.3239 3.3253 3.3253 6.5270 6.5270 6.5731 6.5731 6.8642 6.8642 6.9119 6.9119 7.4105 7.4105 7.4605 7.4605 8.0751 8.0751 8.1560 8.1560 8.8209 8.8209 8.8807 8.8807 8.9004 8.9004 8.9287 8.9287 9.5094 9.5094 9.5685 9.5685 10.9268 10.9268 10.9832 10.9832 11.5169 11.5169 11.5977 11.5977 k = 0.0000 0.3678 0.0594 ( 4536 PWs) bands (ev): -3.1832 -3.1832 -3.1825 -3.1825 -1.4908 -1.4908 -1.4905 -1.4905 3.3574 3.3574 3.3591 3.3591 6.5155 6.5155 6.5749 6.5749 6.8253 6.8253 6.8851 6.8851 7.4445 7.4445 7.4997 7.4997 8.0827 8.0827 8.1686 8.1686 8.8020 8.8020 8.8699 8.8699 8.8861 8.8861 8.9153 8.9153 9.4970 9.4970 9.5559 9.5559 10.9284 10.9284 10.9838 10.9838 11.5116 11.5116 11.5918 11.5918 k = 0.0000 0.3678 0.0713 ( 4536 PWs) bands (ev): -3.1715 -3.1715 -3.1708 -3.1708 -1.5167 -1.5167 -1.5164 -1.5164 3.3976 3.3976 3.3996 3.3996 6.5017 6.5017 6.5759 6.5759 6.7827 6.7827 6.8575 6.8575 7.4806 7.4806 7.5432 7.5432 8.0919 8.0919 8.1835 8.1835 8.7768 8.7768 8.8436 8.8436 8.8800 8.8800 8.9060 8.9060 9.4820 9.4820 9.5408 9.5408 10.9286 10.9286 10.9826 10.9826 11.5051 11.5051 11.5843 11.5843 k = 0.0000 0.3678 0.0832 ( 4532 PWs) bands (ev): -3.1577 -3.1577 -3.1570 -3.1570 -1.5465 -1.5465 -1.5461 -1.5461 3.4443 3.4443 3.4466 3.4466 6.4850 6.4850 6.5758 6.5758 6.7381 6.7381 6.8300 6.8300 7.5182 7.5182 7.5895 7.5895 8.1028 8.1028 8.2003 8.2003 8.7458 8.7458 8.8106 8.8106 8.8753 8.8753 8.8999 8.8999 9.4645 9.4645 9.5236 9.5236 10.9265 10.9265 10.9786 10.9786 11.4974 11.4974 11.5751 11.5751 k = 0.0000 0.3678 0.0951 ( 4534 PWs) bands (ev): -3.1418 -3.1418 -3.1412 -3.1412 -1.5800 -1.5800 -1.5795 -1.5795 3.4970 3.4970 3.4996 3.4996 6.4650 6.4650 6.5736 6.5736 6.6928 6.6928 6.8034 6.8034 7.5569 7.5569 7.6377 7.6377 8.1153 8.1153 8.2185 8.2185 8.7106 8.7106 8.7745 8.7745 8.8702 8.8702 8.8959 8.8959 9.4446 9.4446 9.5043 9.5043 10.9211 10.9211 10.9710 10.9710 11.4885 11.4885 11.5641 11.5641 k = 0.0000 0.3678 0.1070 ( 4534 PWs) bands (ev): -3.1240 -3.1240 -3.1233 -3.1233 -1.6166 -1.6166 -1.6161 -1.6161 3.5552 3.5552 3.5581 3.5581 6.4412 6.4412 6.5663 6.5663 6.6505 6.6505 6.7784 6.7784 7.5964 7.5964 7.6870 7.6870 8.1294 8.1294 8.2373 8.2373 8.6724 8.6724 8.7375 8.7375 8.8646 8.8646 8.8929 8.8929 9.4225 9.4225 9.4835 9.4835 10.9115 10.9115 10.9588 10.9588 11.4785 11.4785 11.5514 11.5514 k = 0.0000 0.3678 0.1189 ( 4534 PWs) bands (ev): -3.1041 -3.1041 -3.1035 -3.1035 -1.6562 -1.6562 -1.6557 -1.6557 3.6185 3.6185 3.6217 3.6217 6.4132 6.4132 6.5454 6.5454 6.6198 6.6198 6.7554 6.7554 7.6363 7.6363 7.7367 7.7367 8.1448 8.1448 8.2557 8.2557 8.6326 8.6326 8.7017 8.7017 8.8584 8.8584 8.8904 8.8904 9.3982 9.3982 9.4613 9.4613 10.8969 10.8969 10.9412 10.9412 11.4677 11.4677 11.5371 11.5371 k = 0.0000 0.3678 0.1307 ( 4526 PWs) bands (ev): -3.0824 -3.0824 -3.0817 -3.0817 -1.6983 -1.6983 -1.6977 -1.6977 3.6863 3.6863 3.6898 3.6898 6.3807 6.3807 6.5055 6.5055 6.6061 6.6061 6.7349 6.7349 7.6764 7.6764 7.7860 7.7860 8.1615 8.1615 8.2721 8.2721 8.5925 8.5925 8.6695 8.6695 8.8514 8.8514 8.8882 8.8882 9.3719 9.3719 9.4382 9.4382 10.8767 10.8767 10.9178 10.9178 11.4564 11.4564 11.5218 11.5218 k = 0.0000 0.3678 0.1426 ( 4528 PWs) bands (ev): -3.0587 -3.0587 -3.0581 -3.0581 -1.7425 -1.7425 -1.7419 -1.7419 3.7581 3.7581 3.7619 3.7619 6.3437 6.3437 6.4550 6.4550 6.6011 6.6011 6.7168 6.7168 7.7164 7.7164 7.8341 7.8341 8.1791 8.1791 8.2844 8.2844 8.5536 8.5536 8.6437 8.6437 8.8436 8.8436 8.8861 8.8861 9.3437 9.3437 9.4145 9.4145 10.8506 10.8506 10.8883 10.8883 11.4451 11.4451 11.5059 11.5059 k = 0.0000 0.3678 0.1545 ( 4528 PWs) bands (ev): -3.0333 -3.0333 -3.0326 -3.0326 -1.7884 -1.7884 -1.7878 -1.7878 3.8333 3.8333 3.8375 3.8375 6.3024 6.3024 6.3996 6.3996 6.5992 6.5992 6.7010 6.7010 7.7561 7.7561 7.8800 7.8800 8.1975 8.1975 8.2903 8.2903 8.5174 8.5174 8.6272 8.6272 8.8348 8.8348 8.8841 8.8841 9.3136 9.3136 9.3905 9.3905 10.8189 10.8189 10.8531 10.8531 11.4342 11.4342 11.4901 11.4901 k = 0.0000 0.3678 0.1664 ( 4536 PWs) bands (ev): -3.0061 -3.0061 -3.0055 -3.0055 -1.8357 -1.8357 -1.8351 -1.8351 3.9113 3.9113 3.9158 3.9158 6.2569 6.2569 6.3413 6.3413 6.5985 6.5985 6.6875 6.6875 7.7951 7.7951 7.9223 7.9223 8.2159 8.2159 8.2885 8.2885 8.4859 8.4859 8.6221 8.6221 8.8251 8.8251 8.8824 8.8824 9.2820 9.2820 9.3666 9.3666 10.7818 10.7818 10.8127 10.8127 11.4241 11.4241 11.4751 11.4751 k = 0.0000 0.3678 0.1783 ( 4532 PWs) bands (ev): -2.9774 -2.9774 -2.9767 -2.9767 -1.8841 -1.8841 -1.8834 -1.8834 3.9915 3.9915 3.9962 3.9962 6.2078 6.2078 6.2808 6.2808 6.5985 6.5985 6.6758 6.6758 7.8329 7.8329 7.9590 7.9590 8.2330 8.2330 8.2811 8.2811 8.4610 8.4610 8.6282 8.6282 8.8145 8.8145 8.8812 8.8812 9.2491 9.2491 9.3432 9.3432 10.7404 10.7404 10.7681 10.7681 11.4150 11.4150 11.4610 11.4610 k = 0.0000 0.3678 0.1902 ( 4532 PWs) bands (ev): -2.9471 -2.9471 -2.9465 -2.9465 -1.9330 -1.9330 -1.9324 -1.9324 4.0730 4.0730 4.0781 4.0781 6.1555 6.1555 6.2186 6.2186 6.5987 6.5987 6.6657 6.6657 7.8689 7.8689 7.9883 7.9883 8.2416 8.2416 8.2776 8.2776 8.4448 8.4448 8.6430 8.6430 8.8031 8.8031 8.8809 8.8809 9.2150 9.2150 9.3202 9.3202 10.6957 10.6957 10.7204 10.7204 11.4070 11.4070 11.4482 11.4482 k = 0.0000 0.3678 0.2021 ( 4530 PWs) bands (ev): -2.9156 -2.9156 -2.9149 -2.9149 -1.9821 -1.9821 -1.9815 -1.9815 4.1551 4.1551 4.1605 4.1605 6.1007 6.1007 6.1551 6.1551 6.5992 6.5992 6.6569 6.6569 7.9022 7.9022 8.0084 8.0084 8.2332 8.2332 8.2897 8.2897 8.4386 8.4386 8.6629 8.6629 8.7915 8.7915 8.8825 8.8825 9.1801 9.1801 9.2980 9.2980 10.6491 10.6491 10.6710 10.6710 11.4002 11.4002 11.4367 11.4367 k = 0.0000 0.3678 0.2139 ( 4536 PWs) bands (ev): -2.8830 -2.8830 -2.8823 -2.8823 -2.0310 -2.0310 -2.0304 -2.0304 4.2369 4.2369 4.2425 4.2425 6.0441 6.0441 6.0909 6.0909 6.5999 6.5999 6.6493 6.6493 7.9315 7.9315 8.0187 8.0187 8.2200 8.2200 8.3088 8.3088 8.4427 8.4427 8.6840 8.6840 8.7802 8.7802 8.8871 8.8871 9.1446 9.1446 9.2764 9.2764 10.6020 10.6020 10.6212 10.6212 11.3945 11.3945 11.4264 11.4264 k = 0.0000 0.3678 0.2258 ( 4548 PWs) bands (ev): -2.8496 -2.8496 -2.8490 -2.8490 -2.0792 -2.0792 -2.0786 -2.0786 4.3173 4.3173 4.3230 4.3230 5.9867 5.9867 6.0267 6.0267 6.6008 6.6008 6.6426 6.6426 7.9551 7.9551 8.0206 8.0206 8.2106 8.2106 8.3283 8.3283 8.4559 8.4559 8.7020 8.7020 8.7706 8.7706 8.8963 8.8963 9.1090 9.1090 9.2554 9.2554 10.5558 10.5558 10.5724 10.5724 11.3898 11.3898 11.4174 11.4174 k = 0.0000 0.3678 0.2377 ( 4544 PWs) bands (ev): -2.8159 -2.8159 -2.8153 -2.8153 -2.1260 -2.1260 -2.1254 -2.1254 4.3948 4.3948 4.4006 4.4006 5.9297 5.9297 5.9635 5.9635 6.6019 6.6019 6.6367 6.6367 7.9713 7.9713 8.0166 8.0166 8.2089 8.2089 8.3453 8.3453 8.4762 8.4762 8.7124 8.7124 8.7657 8.7657 8.9113 8.9113 9.0737 9.0737 9.2347 9.2347 10.5120 10.5120 10.5261 10.5261 11.3862 11.3862 11.4095 11.4095 k = 0.0000 0.3678 0.2496 ( 4546 PWs) bands (ev): -2.7826 -2.7826 -2.7820 -2.7820 -2.1707 -2.1707 -2.1701 -2.1701 4.4678 4.4678 4.4735 4.4735 5.8747 5.8747 5.9029 5.9029 6.6032 6.6032 6.6315 6.6315 7.9798 7.9798 8.0093 8.0093 8.2162 8.2162 8.3576 8.3576 8.5013 8.5013 8.7123 8.7123 8.7680 8.7680 8.9312 8.9312 9.0401 9.0401 9.2139 9.2139 10.4721 10.4721 10.4836 10.4836 11.3835 11.3835 11.4028 11.4028 k = 0.0000 0.3678 0.2615 ( 4546 PWs) bands (ev): -2.7505 -2.7505 -2.7500 -2.7500 -2.2121 -2.2121 -2.2116 -2.2116 4.5342 4.5342 4.5395 4.5395 5.8238 5.8238 5.8466 5.8466 6.6047 6.6047 6.6269 6.6269 7.9820 7.9820 8.0007 8.0007 8.2316 8.2316 8.3636 8.3636 8.5288 8.5288 8.7042 8.7042 8.7769 8.7769 8.9500 8.9500 9.0130 9.0130 9.1925 9.1925 10.4373 10.4373 10.4464 10.4464 11.3817 11.3817 11.3969 11.3969 k = 0.0000 0.3678 0.2734 ( 4544 PWs) bands (ev): -2.7213 -2.7213 -2.7208 -2.7208 -2.2487 -2.2487 -2.2483 -2.2483 4.5913 4.5913 4.5959 4.5959 5.7797 5.7797 5.7971 5.7971 6.6064 6.6064 6.6228 6.6228 7.9808 7.9808 7.9925 7.9925 8.2524 8.2524 8.3626 8.3626 8.5570 8.5570 8.6914 8.6914 8.7908 8.7908 8.9463 8.9463 9.0120 9.0120 9.1702 9.1702 10.4089 10.4089 10.4156 10.4156 11.3807 11.3807 11.3921 11.3921 k = 0.0000 0.3678 0.2852 ( 4548 PWs) bands (ev): -2.6970 -2.6970 -2.6966 -2.6966 -2.2783 -2.2783 -2.2780 -2.2780 4.6359 4.6359 4.6394 4.6394 5.7456 5.7456 5.7574 5.7574 6.6083 6.6083 6.6192 6.6192 7.9787 7.9787 7.9856 7.9856 8.2759 8.2759 8.3547 8.3547 8.5844 8.5844 8.6752 8.6752 8.8097 8.8097 8.9200 8.9200 9.0358 9.0358 9.1464 9.1464 10.3880 10.3880 10.3925 10.3925 11.3805 11.3805 11.3881 11.3881 k = 0.0000 0.3678 0.2971 ( 4540 PWs) bands (ev): -2.6804 -2.6804 -2.6802 -2.6802 -2.2980 -2.2980 -2.2978 -2.2978 4.6650 4.6650 4.6668 4.6668 5.7246 5.7246 5.7306 5.7306 6.6106 6.6106 6.6160 6.6160 7.9774 7.9774 7.9806 7.9806 8.2996 8.2996 8.3407 8.3407 8.6103 8.6103 8.6561 8.6561 8.8331 8.8331 8.8897 8.8897 9.0646 9.0646 9.1208 9.1208 10.3756 10.3756 10.3778 10.3778 11.3812 11.3812 11.3850 11.3850 k = 0.0000 0.3678 0.3090 ( 4532 PWs) bands (ev): -2.6744 -2.6744 -2.6744 -2.6744 -2.3049 -2.3049 -2.3049 -2.3049 4.6756 4.6756 4.6756 4.6756 5.7193 5.7193 5.7193 5.7193 6.6131 6.6131 6.6131 6.6131 7.9779 7.9779 7.9779 7.9779 8.3218 8.3218 8.3218 8.3218 8.6344 8.6344 8.6344 8.6344 8.8602 8.8602 8.8602 8.8602 9.0934 9.0934 9.0934 9.0934 10.3721 10.3721 10.3721 10.3721 11.3827 11.3827 11.3827 11.3827 k = 0.5000-0.0000 0.3090 ( 4544 PWs) bands (ev): -2.6383 -2.6383 -2.6376 -2.6376 -0.9360 -0.9360 -0.9293 -0.9293 3.6542 3.6542 3.7385 3.7385 5.2244 5.2244 5.2478 5.2478 6.2412 6.2412 6.2502 6.2502 6.4910 6.4910 6.6590 6.6590 7.4416 7.4416 7.4557 7.4557 7.9417 7.9417 7.9802 7.9802 8.4612 8.4612 8.4908 8.4908 9.0843 9.0843 9.1024 9.1024 9.9446 9.9446 9.9897 9.9897 11.1382 11.1382 11.1773 11.1773 k = 0.5000-0.0000 0.2971 ( 4550 PWs) bands (ev): -2.6389 -2.6389 -2.6382 -2.6382 -0.9349 -0.9349 -0.9282 -0.9282 3.6553 3.6553 3.7394 3.7394 5.2230 5.2230 5.2472 5.2472 6.2354 6.2354 6.2525 6.2525 6.4964 6.4964 6.6611 6.6611 7.4306 7.4306 7.4450 7.4450 7.9437 7.9437 7.9818 7.9818 8.4671 8.4671 8.4968 8.4968 9.0843 9.0843 9.1023 9.1023 9.9463 9.9463 9.9912 9.9912 11.1382 11.1382 11.1772 11.1772 k = 0.5000-0.0000 0.2852 ( 4548 PWs) bands (ev): -2.6408 -2.6408 -2.6400 -2.6400 -0.9317 -0.9317 -0.9251 -0.9251 3.6584 3.6584 3.7422 3.7422 5.2191 5.2191 5.2452 5.2452 6.2235 6.2235 6.2552 6.2552 6.5117 6.5117 6.6672 6.6672 7.3992 7.3992 7.4140 7.4140 7.9495 7.9495 7.9863 7.9863 8.4838 8.4838 8.5140 8.5140 9.0842 9.0842 9.1023 9.1023 9.9511 9.9511 9.9957 9.9957 11.1380 11.1380 11.1771 11.1771 k = 0.5000-0.0000 0.2734 ( 4550 PWs) bands (ev): -2.6438 -2.6438 -2.6431 -2.6431 -0.9264 -0.9264 -0.9199 -0.9199 3.6638 3.6638 3.7468 3.7468 5.2128 5.2128 5.2420 5.2420 6.2083 6.2083 6.2572 6.2572 6.5347 6.5347 6.6769 6.6769 7.3508 7.3508 7.3660 7.3660 7.9579 7.9579 7.9928 7.9928 8.5095 8.5095 8.5404 8.5404 9.0840 9.0840 9.1023 9.1023 9.9591 9.9591 10.0031 10.0031 11.1377 11.1377 11.1770 11.1770 k = 0.5000-0.0000 0.2615 ( 4550 PWs) bands (ev): -2.6479 -2.6479 -2.6472 -2.6472 -0.9192 -0.9192 -0.9127 -0.9127 3.6712 3.6712 3.7533 3.7533 5.2043 5.2043 5.2374 5.2374 6.1913 6.1913 6.2589 6.2589 6.5630 6.5630 6.6894 6.6894 7.2898 7.2898 7.3050 7.3050 7.9678 7.9678 8.0007 8.0007 8.5415 8.5415 8.5732 8.5732 9.0838 9.0838 9.1023 9.1023 9.9701 9.9701 10.0134 10.0134 11.1374 11.1374 11.1768 11.1768 k = 0.5000-0.0000 0.2496 ( 4546 PWs) bands (ev): -2.6531 -2.6531 -2.6524 -2.6524 -0.9101 -0.9101 -0.9037 -0.9037 3.6808 3.6808 3.7617 3.7617 5.1937 5.1937 5.2315 5.2315 6.1735 6.1735 6.2605 6.2605 6.5945 6.5945 6.7036 6.7036 7.2204 7.2204 7.2351 7.2351 7.9788 7.9788 8.0094 8.0094 8.5774 8.5774 8.6099 8.6099 9.0836 9.0836 9.1022 9.1022 9.9840 9.9840 10.0262 10.0262 11.1369 11.1369 11.1765 11.1765 k = 0.5000-0.0000 0.2377 ( 4550 PWs) bands (ev): -2.6592 -2.6592 -2.6585 -2.6585 -0.8993 -0.8993 -0.8930 -0.8930 3.6927 3.6927 3.7720 3.7720 5.1814 5.1814 5.2244 5.2244 6.1554 6.1554 6.2620 6.2620 6.6270 6.6270 6.7173 6.7173 7.1472 7.1472 7.1605 7.1605 7.9906 7.9906 8.0188 8.0188 8.6149 8.6149 8.6481 8.6481 9.0833 9.0833 9.1021 9.1021 10.0006 10.0006 10.0415 10.0415 11.1364 11.1364 11.1761 11.1761 k = 0.5000-0.0000 0.2258 ( 4558 PWs) bands (ev): -2.6662 -2.6662 -2.6655 -2.6655 -0.8870 -0.8870 -0.8808 -0.8808 3.7067 3.7067 3.7843 3.7843 5.1677 5.1677 5.2163 5.2163 6.1369 6.1369 6.2632 6.2632 6.6577 6.6577 6.7270 6.7270 7.0748 7.0748 7.0869 7.0869 8.0032 8.0032 8.0289 8.0289 8.6524 8.6524 8.6861 8.6861 9.0829 9.0829 9.1019 9.1019 10.0196 10.0196 10.0590 10.0590 11.1357 11.1357 11.1756 11.1756 k = 0.5000-0.0000 0.2139 ( 4562 PWs) bands (ev): -2.6738 -2.6738 -2.6731 -2.6731 -0.8734 -0.8734 -0.8674 -0.8674 3.7229 3.7229 3.7985 3.7985 5.1527 5.1527 5.2072 5.2072 6.1177 6.1177 6.2636 6.2636 6.6810 6.6810 6.7270 6.7270 7.0071 7.0071 7.0252 7.0252 8.0167 8.0167 8.0397 8.0397 8.6887 8.6887 8.7227 8.7227 9.0825 9.0825 9.1016 9.1016 10.0408 10.0408 10.0785 10.0785 11.1348 11.1348 11.1750 11.1750 k = 0.5000-0.0000 0.2021 ( 4558 PWs) bands (ev): -2.6820 -2.6820 -2.6813 -2.6813 -0.8588 -0.8588 -0.8529 -0.8529 3.7414 3.7414 3.8147 3.8147 5.1368 5.1368 5.1972 5.1972 6.0969 6.0969 6.2623 6.2623 6.6808 6.6808 6.7154 6.7154 6.9529 6.9529 6.9877 6.9877 8.0310 8.0310 8.0513 8.0513 8.7230 8.7230 8.7571 8.7571 9.0821 9.0821 9.1013 9.1013 10.0640 10.0640 10.0998 10.0998 11.1338 11.1338 11.1743 11.1743 k = 0.5000-0.0000 0.1902 ( 4566 PWs) bands (ev): -2.6905 -2.6905 -2.6899 -2.6899 -0.8432 -0.8432 -0.8375 -0.8375 3.7622 3.7622 3.8329 3.8329 5.1203 5.1203 5.1867 5.1867 6.0732 6.0732 6.2578 6.2578 6.6424 6.6424 6.6932 6.6932 6.9277 6.9277 6.9775 6.9775 8.0462 8.0462 8.0636 8.0636 8.7547 8.7547 8.7886 8.7886 9.0817 9.0817 9.1009 9.1009 10.0887 10.0887 10.1226 10.1226 11.1326 11.1326 11.1735 11.1735 k = 0.5000-0.0000 0.1783 ( 4558 PWs) bands (ev): -2.6994 -2.6994 -2.6988 -2.6988 -0.8271 -0.8271 -0.8216 -0.8216 3.7852 3.7852 3.8531 3.8531 5.1034 5.1034 5.1758 5.1758 6.0450 6.0450 6.2473 6.2473 6.5849 6.5849 6.6515 6.6515 6.9338 6.9338 6.9868 6.9868 8.0622 8.0622 8.0768 8.0768 8.7837 8.7837 8.8172 8.8172 9.0813 9.0813 9.1005 9.1005 10.1149 10.1149 10.1468 10.1468 11.1312 11.1312 11.1725 11.1725 k = 0.5000-0.0000 0.1664 ( 4564 PWs) bands (ev): -2.7084 -2.7084 -2.7078 -2.7078 -0.8106 -0.8106 -0.8053 -0.8053 3.8103 3.8103 3.8752 3.8752 5.0864 5.0864 5.1647 5.1647 6.0105 6.0105 6.2264 6.2264 6.5263 6.5263 6.6010 6.6010 6.9580 6.9580 7.0070 7.0070 8.0788 8.0788 8.0907 8.0907 8.8099 8.8099 8.8427 8.8427 9.0808 9.0808 9.0999 9.0999 10.1422 10.1422 10.1721 10.1721 11.1295 11.1295 11.1713 11.1713 k = 0.5000-0.0000 0.1545 ( 4568 PWs) bands (ev): -2.7173 -2.7173 -2.7168 -2.7168 -0.7939 -0.7939 -0.7889 -0.7889 3.8376 3.8376 3.8991 3.8991 5.0694 5.0694 5.1535 5.1535 5.9682 5.9682 6.1898 6.1898 6.4783 6.4783 6.5529 6.5529 6.9899 6.9899 7.0327 7.0327 8.0960 8.0960 8.1053 8.1053 8.8332 8.8332 8.8652 8.8652 9.0803 9.0803 9.0992 9.0992 10.1705 10.1705 10.1984 10.1984 11.1273 11.1273 11.1697 11.1697 k = 0.5000-0.0000 0.1426 ( 4570 PWs) bands (ev): -2.7262 -2.7262 -2.7257 -2.7257 -0.7774 -0.7774 -0.7726 -0.7726 3.8669 3.8669 3.9248 3.9248 5.0528 5.0528 5.1426 5.1426 5.9175 5.9175 6.1355 6.1355 6.4460 6.4460 6.5126 6.5126 7.0247 7.0247 7.0610 7.0610 8.1135 8.1135 8.1207 8.1207 8.8539 8.8539 8.8849 8.8849 9.0798 9.0798 9.0985 9.0985 10.1998 10.1998 10.2257 10.2257 11.1245 11.1245 11.1678 11.1678 k = 0.5000-0.0000 0.1307 ( 4574 PWs) bands (ev): -2.7347 -2.7347 -2.7343 -2.7343 -0.7612 -0.7612 -0.7567 -0.7567 3.8981 3.8981 3.9521 3.9521 5.0368 5.0368 5.1319 5.1319 5.8591 5.8591 6.0673 6.0673 6.4274 6.4274 6.4818 6.4818 7.0599 7.0599 7.0902 7.0902 8.1309 8.1309 8.1367 8.1367 8.8721 8.8721 8.9018 8.9018 9.0793 9.0793 9.0977 9.0977 10.2298 10.2298 10.2539 10.2539 11.1207 11.1207 11.1652 11.1652 k = 0.5000-0.0000 0.1189 ( 4566 PWs) bands (ev): -2.7430 -2.7430 -2.7425 -2.7425 -0.7455 -0.7455 -0.7414 -0.7414 3.9309 3.9309 3.9807 3.9807 5.0214 5.0214 5.1216 5.1216 5.7949 5.7949 5.9912 5.9912 6.4177 6.4177 6.4602 6.4602 7.0945 7.0945 7.1193 7.1193 8.1478 8.1478 8.1534 8.1534 8.8881 8.8881 8.9163 8.9163 9.0788 9.0788 9.0967 9.0967 10.2606 10.2606 10.2831 10.2831 11.1155 11.1155 11.1615 11.1615 k = 0.5000-0.0000 0.1070 ( 4572 PWs) bands (ev): -2.7507 -2.7507 -2.7503 -2.7503 -0.7307 -0.7307 -0.7269 -0.7269 3.9649 3.9649 4.0102 4.0102 5.0071 5.0071 5.1118 5.1118 5.7274 5.7274 5.9121 5.9121 6.4129 6.4129 6.4463 6.4463 7.1275 7.1275 7.1476 7.1476 8.1641 8.1641 8.1703 8.1703 8.9019 8.9019 8.9284 8.9284 9.0784 9.0784 9.0956 9.0956 10.2923 10.2923 10.3132 10.3132 11.1076 11.1076 11.1555 11.1555 k = 0.5000-0.0000 0.0951 ( 4572 PWs) bands (ev): -2.7579 -2.7579 -2.7575 -2.7575 -0.7168 -0.7168 -0.7134 -0.7134 3.9998 3.9998 4.0404 4.0404 4.9941 4.9941 5.1023 5.1023 5.6592 5.6592 5.8333 5.8333 6.4108 6.4108 6.4382 6.4382 7.1584 7.1584 7.1744 7.1744 8.1798 8.1798 8.1868 8.1868 8.9138 8.9138 8.9384 8.9384 9.0781 9.0781 9.0945 9.0945 10.3248 10.3248 10.3443 10.3443 11.0953 11.0953 11.1438 11.1438 k = 0.5000-0.0000 0.0832 ( 4560 PWs) bands (ev): -2.7644 -2.7644 -2.7641 -2.7641 -0.7040 -0.7040 -0.7010 -0.7010 4.0349 4.0349 4.0705 4.0705 4.9827 4.9827 5.0928 5.0928 5.5932 5.5932 5.7568 5.7568 6.4103 6.4103 6.4341 6.4341 7.1866 7.1866 7.1992 7.1992 8.1949 8.1949 8.2025 8.2025 8.9241 8.9241 8.9465 8.9465 9.0779 9.0779 9.0932 9.0932 10.3582 10.3582 10.3766 10.3766 11.0753 11.0753 11.1181 11.1181 k = 0.5000-0.0000 0.0713 ( 4546 PWs) bands (ev): -2.7702 -2.7702 -2.7699 -2.7699 -0.6926 -0.6926 -0.6900 -0.6900 4.0694 4.0694 4.0999 4.0999 4.9732 4.9732 5.0829 5.0829 5.5319 5.5319 5.6843 5.6843 6.4112 6.4112 6.4323 6.4323 7.2119 7.2119 7.2216 7.2216 8.2090 8.2090 8.2170 8.2170 8.9329 8.9329 8.9529 8.9529 9.0778 9.0778 9.0918 9.0918 10.3926 10.3926 10.4099 10.4099 11.0440 11.0440 11.0723 11.0723 k = 0.5000-0.0000 0.0594 ( 4542 PWs) bands (ev): -2.7752 -2.7752 -2.7749 -2.7749 -0.6827 -0.6827 -0.6804 -0.6804 4.1024 4.1024 4.1276 4.1276 4.9663 4.9663 5.0718 5.0718 5.4783 5.4783 5.6171 5.6171 6.4130 6.4130 6.4315 6.4315 7.2338 7.2338 7.2412 7.2412 8.2219 8.2219 8.2296 8.2296 8.9404 8.9404 8.9576 8.9576 9.0779 9.0779 9.0902 9.0902 10.4277 10.4277 10.4439 10.4439 11.0008 11.0008 11.0168 11.0168 k = 0.5000-0.0000 0.0475 ( 4546 PWs) bands (ev): -2.7793 -2.7793 -2.7791 -2.7791 -0.6743 -0.6743 -0.6725 -0.6725 4.1326 4.1326 4.1525 4.1525 4.9625 4.9625 5.0586 5.0586 5.4351 5.4351 5.5564 5.5564 6.4155 6.4155 6.4311 6.4311 7.2522 7.2522 7.2576 7.2576 8.2332 8.2332 8.2402 8.2402 8.9466 8.9466 8.9609 8.9609 9.0782 9.0782 9.0885 9.0885 10.4633 10.4633 10.4784 10.4784 10.9500 10.9500 10.9617 10.9617 k = 0.5000-0.0000 0.0357 ( 4546 PWs) bands (ev): -2.7826 -2.7826 -2.7825 -2.7825 -0.6677 -0.6677 -0.6663 -0.6663 4.1588 4.1588 4.1734 4.1734 4.9625 4.9625 5.0430 5.0430 5.4048 5.4048 5.5031 5.5031 6.4183 6.4183 6.4306 6.4306 7.2668 7.2668 7.2705 7.2705 8.2427 8.2427 8.2485 8.2485 8.9518 8.9518 8.9628 8.9628 9.0787 9.0787 9.0868 9.0868 10.4984 10.4984 10.5120 10.5120 10.8993 10.8993 10.9104 10.9104 k = 0.5000-0.0000 0.0238 ( 4550 PWs) bands (ev): -2.7850 -2.7850 -2.7849 -2.7849 -0.6628 -0.6628 -0.6619 -0.6619 4.1794 4.1794 4.1890 4.1890 4.9670 4.9670 5.0253 5.0253 5.3889 5.3889 5.4585 5.4585 6.4212 6.4212 6.4297 6.4297 7.2774 7.2774 7.2798 7.2798 8.2501 8.2501 8.2542 8.2542 8.9561 8.9561 8.9635 8.9635 9.0796 9.0796 9.0851 9.0851 10.5312 10.5312 10.5423 10.5423 10.8552 10.8552 10.8651 10.8651 k = 0.5000-0.0000 0.0119 ( 4552 PWs) bands (ev): -2.7864 -2.7864 -2.7863 -2.7863 -0.6597 -0.6597 -0.6593 -0.6593 4.1933 4.1933 4.1981 4.1981 4.9762 4.9762 5.0068 5.0068 5.3873 5.3873 5.4235 5.4235 6.4240 6.4240 6.4283 6.4283 7.2841 7.2841 7.2852 7.2852 8.2551 8.2551 8.2572 8.2572 8.9594 8.9594 8.9632 8.9632 9.0806 9.0806 9.0835 9.0835 10.5575 10.5575 10.5642 10.5642 10.8248 10.8248 10.8310 10.8310 k = 0.5000-0.0000-0.0000 ( 4544 PWs) bands (ev): -2.7868 -2.7868 -2.7868 -2.7868 -0.6585 -0.6585 -0.6585 -0.6585 4.1996 4.1996 4.1996 4.1996 4.9898 4.9898 4.9898 4.9898 5.3993 5.3993 5.3993 5.3993 6.4264 6.4264 6.4264 6.4264 7.2867 7.2867 7.2867 7.2867 8.2575 8.2575 8.2575 8.2575 8.9618 8.9618 8.9618 8.9618 9.0820 9.0820 9.0820 9.0820 10.5703 10.5703 10.5703 10.5703 10.8157 10.8157 10.8157 10.8157 k = 0.5000 0.3678-0.0000 ( 4576 PWs) bands (ev): -2.2576 -2.2576 -2.2549 -2.2549 -1.3939 -1.3939 -1.3896 -1.3896 4.3398 4.3398 4.4244 4.4244 4.4598 4.4598 4.6303 4.6303 5.3199 5.3199 5.5785 5.5785 5.8667 5.8667 6.2269 6.2269 7.0637 7.0637 7.1482 7.1482 8.7251 8.7251 8.7532 8.7532 9.0455 9.0455 9.0781 9.0781 9.1273 9.1273 9.1377 9.1377 10.3540 10.3540 10.3916 10.3916 11.0996 11.0996 11.3438 11.3438 k = 0.5000 0.3678 0.0119 ( 4580 PWs) bands (ev): -2.2572 -2.2572 -2.2545 -2.2545 -1.3941 -1.3938 -1.3899 -1.3895 4.3357 4.3366 4.4106 4.4212 4.4504 4.4554 4.6127 4.6234 5.3289 5.3444 5.5842 5.5959 5.8706 5.8744 6.2263 6.2355 7.0617 7.0669 7.1484 7.1490 8.7241 8.7268 8.7524 8.7543 9.0418 9.0489 9.0715 9.0836 9.1266 9.1281 9.1356 9.1397 10.3530 10.3564 10.3897 10.3946 11.0932 11.1044 11.3383 11.3473 k = 0.5000 0.3678 0.0238 ( 4580 PWs) bands (ev): -2.2561 -2.2560 -2.2534 -2.2533 -1.3945 -1.3940 -1.3903 -1.3897 4.3243 4.3262 4.3816 4.4012 4.4268 4.4378 4.5766 4.5936 5.3696 5.3974 5.6124 5.6348 5.8858 5.8935 6.2335 6.2520 7.0610 7.0715 7.1498 7.1509 8.7237 8.7292 8.7521 8.7557 9.0380 9.0522 9.0638 9.0880 9.1261 9.1289 9.1334 9.1416 10.3536 10.3603 10.3890 10.3986 11.0852 11.1076 11.3306 11.3487 k = 0.5000 0.3678 0.0357 ( 4580 PWs) bands (ev): -2.2542 -2.2540 -2.2515 -2.2514 -1.3952 -1.3944 -1.3910 -1.3901 4.3047 4.3087 4.3421 4.3670 4.3888 4.4077 4.5308 4.5483 5.4349 5.4710 5.6608 5.6921 5.9113 5.9232 6.2478 6.2759 7.0614 7.0775 7.1523 7.1539 8.7240 8.7322 8.7520 8.7575 9.0339 9.0550 9.0553 9.0914 9.1256 9.1298 9.1313 9.1433 10.3558 10.3657 10.3895 10.4038 11.0756 11.1093 11.3209 11.3481 k = 0.5000 0.3678 0.0475 ( 4576 PWs) bands (ev): -2.2515 -2.2514 -2.2489 -2.2487 -1.3960 -1.3949 -1.3919 -1.3907 4.2705 4.2846 4.3021 4.3222 4.3377 4.3659 4.4814 4.4956 5.5173 5.5585 5.7260 5.7643 5.9458 5.9621 6.2686 6.3067 7.0630 7.0850 7.1560 7.1580 8.7249 8.7358 8.7522 8.7596 9.0297 9.0454 9.0584 9.0938 9.1252 9.1291 9.1308 9.1450 10.3597 10.3727 10.3913 10.4102 11.0645 11.1093 11.3090 11.3454 k = 0.5000 0.3678 0.0594 ( 4580 PWs) bands (ev): -2.2482 -2.2480 -2.2456 -2.2454 -1.3970 -1.3957 -1.3930 -1.3915 4.2182 4.2527 4.2679 4.2732 4.2768 4.3138 4.4308 4.4411 5.6111 5.6552 5.8044 5.8483 5.9880 6.0090 6.2948 6.3435 7.0657 7.0940 7.1607 7.1632 8.7262 8.7399 8.7525 8.7619 9.0254 9.0350 9.0613 9.0954 9.1249 9.1270 9.1317 9.1466 10.3653 10.3812 10.3946 10.4178 11.0517 11.1077 11.2948 11.3406 k = 0.5000 0.3678 0.0713 ( 4576 PWs) bands (ev): -2.2441 -2.2439 -2.2416 -2.2413 -1.3982 -1.3966 -1.3943 -1.3925 4.1577 4.2038 4.2100 4.2294 4.2364 4.2540 4.3788 4.3878 5.7124 5.7581 5.8932 5.9414 6.0363 6.0623 6.3254 6.3854 7.0696 7.1048 7.1666 7.1696 8.7277 8.7442 8.7527 8.7643 9.0211 9.0239 9.0641 9.0963 9.1246 9.1251 9.1326 9.1482 10.3731 10.3915 10.3994 10.4267 11.0373 11.1044 11.2784 11.3336 k = 0.5000 0.3678 0.0832 ( 4576 PWs) bands (ev): -2.2395 -2.2392 -2.2370 -2.2367 -1.3996 -1.3978 -1.3958 -1.3937 4.0943 4.1406 4.1443 4.1896 4.1921 4.2008 4.3255 4.3357 5.8187 5.8648 5.9897 6.0413 6.0898 6.1209 6.3593 6.4313 7.0747 7.1174 7.1735 7.1772 8.7293 8.7485 8.7527 8.7665 9.0125 9.0167 9.0668 9.0965 9.1233 9.1245 9.1334 9.1500 10.3829 10.4037 10.4061 10.4372 11.0213 11.0994 11.2596 11.3244 k = 0.5000 0.3678 0.0951 ( 4568 PWs) bands (ev): -2.2342 -2.2339 -2.2318 -2.2315 -1.4011 -1.3991 -1.3975 -1.3952 4.0301 4.0709 4.0825 4.1234 4.1534 4.1631 4.2720 4.2838 5.9276 5.9732 6.0919 6.1464 6.1480 6.1839 6.3953 6.4803 7.0810 7.1320 7.1813 7.1862 8.7305 8.7521 8.7527 8.7685 9.0011 9.0128 9.0695 9.0964 9.1218 9.1244 9.1344 9.1520 10.3952 10.4149 10.4180 10.4492 11.0037 11.0927 11.2383 11.3129 k = 0.5000 0.3678 0.1070 ( 4564 PWs) bands (ev): -2.2284 -2.2281 -2.2261 -2.2257 -1.4029 -1.4006 -1.3994 -1.3968 3.9665 4.0022 4.0206 4.0571 4.1132 4.1239 4.2187 4.2321 6.0364 6.0805 6.1983 6.2116 6.2515 6.2551 6.4325 6.5315 7.0886 7.1487 7.1900 7.1966 8.7308 8.7507 8.7562 8.7699 8.9901 9.0093 9.0720 9.0959 9.1205 9.1243 9.1355 9.1544 10.4100 10.4259 10.4346 10.4631 10.9847 11.0843 11.2147 11.2990 k = 0.5000 0.3678 0.1189 ( 4560 PWs) bands (ev): -2.2222 -2.2218 -2.2200 -2.2195 -1.4048 -1.4023 -1.4015 -1.3986 3.9043 3.9356 3.9599 3.9922 4.0722 4.0838 4.1660 4.1807 6.1400 6.1836 6.2832 6.3072 6.3254 6.3655 6.4704 6.5841 7.0977 7.1677 7.1995 7.2086 8.7296 8.7481 8.7588 8.7705 8.9800 9.0065 9.0743 9.0953 9.1193 9.1242 9.1369 9.1573 10.4276 10.4394 10.4536 10.4789 10.9645 11.0742 11.1888 11.2828 k = 0.5000 0.3678 0.1307 ( 4548 PWs) bands (ev): -2.2157 -2.2152 -2.2135 -2.2130 -1.4069 -1.4041 -1.4037 -1.4006 3.8442 3.8715 3.9010 3.9296 4.0309 4.0434 4.1143 4.1302 6.2296 6.2808 6.3646 6.4106 6.4168 6.4717 6.5127 6.6380 7.1085 7.1894 7.2099 7.2224 8.7260 8.7438 8.7598 8.7699 8.9715 9.0047 9.0765 9.0947 9.1183 9.1242 9.1386 9.1609 10.4480 10.4558 10.4755 10.4969 10.9432 11.0626 11.1606 11.2644 k = 0.5000 0.3678 0.1426 ( 4548 PWs) bands (ev): -2.2088 -2.2083 -2.2067 -2.2062 -1.4091 -1.4061 -1.4061 -1.4028 3.7868 3.8106 3.8445 3.8697 3.9900 4.0034 4.0639 4.0809 6.3016 6.3695 6.4560 6.5103 6.5228 6.5351 6.5965 6.6947 7.1214 7.2139 7.2210 7.2381 8.7192 8.7374 8.7587 8.7677 8.9651 9.0041 9.0784 9.0942 9.1174 9.1242 9.1408 9.1653 10.4712 10.4752 10.5003 10.5172 10.9214 11.0496 11.1305 11.2437 k = 0.5000 0.3678 0.1545 ( 4548 PWs) bands (ev): -2.2017 -2.2012 -2.1998 -2.1992 -1.4114 -1.4086 -1.4082 -1.4051 3.7323 3.7531 3.7909 3.8131 3.9498 3.9641 4.0154 4.0332 6.3616 6.4452 6.5575 6.5665 6.6197 6.6284 6.6956 6.7619 7.1370 7.2329 7.2419 7.2562 8.7084 8.7285 8.7551 8.7636 8.9614 9.0048 9.0800 9.0940 9.1167 9.1243 9.1438 9.1705 10.4970 10.4978 10.5285 10.5401 10.8997 11.0355 11.0988 11.2211 k = 0.5000 0.3678 0.1664 ( 4552 PWs) bands (ev): -2.1946 -2.1940 -2.1927 -2.1921 -1.4138 -1.4112 -1.4105 -1.4075 3.6812 3.6993 3.7406 3.7601 3.9110 3.9261 3.9690 3.9876 6.4143 6.5109 6.5967 6.6639 6.7137 6.7335 6.7825 6.8516 7.1565 7.2455 7.2742 7.2771 8.6932 8.7167 8.7481 8.7572 8.9606 9.0069 9.0813 9.0941 9.1161 9.1243 9.1477 9.1764 10.5235 10.5245 10.5602 10.5655 10.8794 11.0206 11.0662 11.1968 k = 0.5000 0.3678 0.1783 ( 4552 PWs) bands (ev): -2.1874 -2.1868 -2.1857 -2.1850 -1.4162 -1.4139 -1.4127 -1.4100 3.6336 3.6493 3.6937 3.7108 3.8740 3.8899 3.9250 3.9443 6.4617 6.5699 6.6234 6.7696 6.7730 6.8485 6.8700 6.9523 7.1822 7.2591 7.3020 7.3123 8.6733 8.7018 8.7374 8.7481 8.9626 9.0103 9.0824 9.0945 9.1156 9.1244 9.1526 9.1831 10.5521 10.5526 10.5936 10.5956 10.8621 11.0057 11.0335 11.1714 k = 0.5000 0.3678 0.1902 ( 4560 PWs) bands (ev): -2.1803 -2.1797 -2.1787 -2.1781 -1.4187 -1.4166 -1.4150 -1.4125 3.5898 3.6034 3.6505 3.6654 3.8391 3.8557 3.8838 3.9036 6.5044 6.6236 6.6469 6.8153 6.8703 6.9553 6.9625 7.0468 7.2195 7.2740 7.3323 7.3583 8.6488 8.6834 8.7224 8.7359 8.9670 9.0148 9.0833 9.0950 9.1152 9.1245 9.1586 9.1901 10.5790 10.5826 10.6246 10.6339 10.8510 10.9916 11.0024 11.1455 k = 0.5000 0.3678 0.2021 ( 4568 PWs) bands (ev): -2.1735 -2.1728 -2.1720 -2.1713 -1.4211 -1.4192 -1.4173 -1.4150 3.5499 3.5616 3.6112 3.6241 3.8066 3.8240 3.8455 3.8659 6.5428 6.6673 6.6727 6.8483 6.9618 7.0299 7.0729 7.1218 7.2782 7.2915 7.3704 7.4144 8.6199 8.6613 8.7030 8.7203 8.9734 9.0201 9.0840 9.0956 9.1150 9.1246 9.1655 9.1973 10.6003 10.6129 10.6584 10.6739 10.8507 10.9750 10.9798 11.1202 k = 0.5000 0.3678 0.2139 ( 4564 PWs) bands (ev): -2.1670 -2.1663 -2.1657 -2.1649 -1.4235 -1.4218 -1.4195 -1.4174 3.5140 3.5239 3.5758 3.5870 3.7770 3.7950 3.8105 3.8313 6.5771 6.6846 6.7171 6.8744 7.0403 7.0893 7.1733 7.1735 7.3165 7.3602 7.4190 7.4819 8.5867 8.6354 8.6790 8.7011 8.9812 9.0258 9.0847 9.0960 9.1151 9.1248 9.1734 9.2044 10.6127 10.6395 10.6950 10.7131 10.8660 10.9552 10.9729 11.0973 k = 0.5000 0.3678 0.2258 ( 4560 PWs) bands (ev): -2.1609 -2.1602 -2.1597 -2.1590 -1.4257 -1.4242 -1.4216 -1.4198 3.4822 3.4906 3.5445 3.5540 3.7503 3.7691 3.7789 3.8001 6.6074 6.6989 6.7570 6.8948 7.1030 7.1340 7.2106 7.2469 7.3653 7.4534 7.4795 7.5588 8.5497 8.6056 8.6508 8.6781 8.9898 9.0314 9.0854 9.0964 9.1153 9.1249 9.1817 9.2111 10.6153 10.6576 10.7326 10.7476 10.8985 10.9477 10.9752 11.0791 k = 0.5000 0.3678 0.2377 ( 4568 PWs) bands (ev): -2.1554 -2.1546 -2.1544 -2.1536 -1.4278 -1.4265 -1.4236 -1.4220 3.4546 3.4615 3.5174 3.5253 3.7270 3.7463 3.7509 3.7725 6.6339 6.7103 6.7924 6.9100 7.1501 7.1672 7.2403 7.2826 7.4470 7.5479 7.5504 7.6413 8.5092 8.5716 8.6188 8.6512 8.9987 9.0365 9.0861 9.0965 9.1158 9.1250 9.1902 9.2171 10.6104 10.6638 10.7679 10.7733 10.9431 10.9569 10.9935 11.0696 k = 0.5000 0.3678 0.2496 ( 4560 PWs) bands (ev): -2.1505 -2.1497 -2.1496 -2.1488 -1.4296 -1.4285 -1.4253 -1.4239 3.4312 3.4369 3.4945 3.5009 3.7071 3.7267 3.7271 3.7485 6.6568 6.7190 6.8234 6.9207 7.1843 7.1924 7.2646 7.3005 7.5401 7.6280 7.6383 7.7248 8.4661 8.5338 8.5844 8.6208 9.0075 9.0406 9.0870 9.0964 9.1165 9.1250 9.1985 9.2221 10.6022 10.6583 10.7884 10.7956 10.9829 10.9894 11.0361 11.0743 k = 0.5000 0.3678 0.2615 ( 4556 PWs) bands (ev): -2.1464 -2.1457 -2.1456 -2.1448 -1.4312 -1.4303 -1.4267 -1.4257 3.4122 3.4166 3.4758 3.4809 3.6910 3.7064 3.7114 3.7283 6.6762 6.7250 6.8501 6.9273 7.2087 7.2118 7.2841 7.3117 7.6312 7.7075 7.7206 7.8047 8.4216 8.4923 8.5491 8.5877 9.0157 9.0434 9.0882 9.0962 9.1175 9.1249 9.2063 9.2259 10.5937 10.6452 10.7950 10.8115 11.0203 11.0342 11.0983 11.0994 k = 0.5000 0.3678 0.2734 ( 4548 PWs) bands (ev): -2.1430 -2.1425 -2.1422 -2.1417 -1.4324 -1.4318 -1.4279 -1.4271 3.3974 3.4006 3.4613 3.4651 3.6786 3.6900 3.6995 3.7121 6.6923 6.7283 6.8727 6.9302 7.2258 7.2265 7.2994 7.3192 7.7147 7.7847 7.7903 7.8758 8.3787 8.4481 8.5160 8.5533 9.0233 9.0447 9.0895 9.0958 9.1187 9.1246 9.2133 9.2284 10.5872 10.6290 10.7972 10.8163 11.0620 11.0791 11.1418 11.1710 k = 0.5000 0.3678 0.2852 ( 4540 PWs) bands (ev): -2.1405 -2.1402 -2.1397 -2.1394 -1.4333 -1.4329 -1.4287 -1.4282 3.3870 3.3891 3.4512 3.4537 3.6703 3.6778 3.6916 3.6999 6.7054 6.7291 6.8914 6.9294 7.2369 7.2371 7.3108 7.3236 7.7859 7.8421 7.8555 7.9308 8.3433 8.4033 8.4895 8.5202 9.0299 9.0444 9.0909 9.0952 9.1200 9.1242 9.2192 9.2295 10.5839 10.6131 10.7983 10.8140 11.1023 11.1192 11.1983 11.2418 k = 0.5000 0.3678 0.2971 ( 4540 PWs) bands (ev): -2.1390 -2.1388 -2.1382 -2.1380 -1.4338 -1.4336 -1.4292 -1.4289 3.3809 3.3820 3.4453 3.4466 3.6659 3.6697 3.6876 3.6917 6.7154 6.7272 6.9062 6.9252 7.2432 7.2434 7.3188 7.3250 7.8393 7.8697 7.9144 7.9593 8.3251 8.3620 8.4750 8.4927 9.0354 9.0427 9.0922 9.0944 9.1213 9.1234 9.2239 9.2291 10.5848 10.5997 10.8003 10.8090 11.1349 11.1459 11.2574 11.2953 k = 0.5000 0.3678 0.3090 ( 4536 PWs) bands (ev): -2.1384 -2.1384 -2.1376 -2.1376 -1.4339 -1.4339 -1.4292 -1.4292 3.3793 3.3793 3.4438 3.4438 3.6657 3.6657 3.6876 3.6876 6.7227 6.7227 6.9175 6.9175 7.2454 7.2454 7.3234 7.3234 7.8688 7.8688 7.9527 7.9527 8.3325 8.3325 8.4762 8.4762 9.0397 9.0397 9.0934 9.0934 9.1225 9.1225 9.2272 9.2272 10.5901 10.5901 10.8040 10.8040 11.1516 11.1516 11.3005 11.3005 Writing output data file FeTe2.save init_run : 0.45s CPU 0.75s WALL ( 1 calls) electrons : 479.22s CPU 483.88s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 479.21s CPU 483.87s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.19s CPU 0.20s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.07s WALL ( 400 calls) cegterg : 450.53s CPU 454.60s WALL ( 888 calls) Called by sum_band: Called by *egterg: h_psi : 278.38s CPU 287.70s WALL ( 15058 calls) s_psi : 33.69s CPU 34.04s WALL ( 15058 calls) g_psi : 0.62s CPU 0.67s WALL ( 13770 calls) cdiaghg : 104.86s CPU 99.75s WALL ( 14170 calls) cegterg:over : 23.71s CPU 21.54s WALL ( 13770 calls) cegterg:upda : 6.81s CPU 11.03s WALL ( 13770 calls) cegterg:last : 7.26s CPU 8.47s WALL ( 2686 calls) Called by h_psi: h_psi:vloc : 238.72s CPU 243.63s WALL ( 15058 calls) h_psi:vnl : 39.49s CPU 43.59s WALL ( 15058 calls) add_vuspsi : 19.81s CPU 23.73s WALL ( 15058 calls) General routines calbec : 19.67s CPU 19.82s WALL ( 15058 calls) fft : 0.03s CPU 0.06s WALL ( 19 calls) ffts : 0.00s CPU 0.01s WALL ( 4 calls) fftw : 236.72s CPU 235.87s WALL ( 1560372 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.03s CPU 0.37s WALL ( 800 calls) Parallel routines fft_scatter : 222.45s CPU 177.22s WALL ( 1560395 calls) PWSCF : 8m30.17s CPU 8m46.54s WALL This run was terminated on: 16:57:58 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=