Program PWSCF v.5.1.1 starts on 11Oct2015 at 16: 2:39 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BaTiO3.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3D 3D 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 54 19 6 2106 453 76 Max 55 20 7 2113 464 80 Sum 2625 949 293 101241 22019 3727 bravais-lattice index = 14 lattice parameter (alat) = 7.5936 a.u. unit-cell volume = 434.1383 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 52.0000 Ry charge density cutoff = 576.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.593649 celldm(2)= 1.000000 celldm(3)= 0.991468 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.003079 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.003079 0.999995 0.000000 ) a(3) = ( 0.000000 0.000000 0.991468 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.003079 -0.000000 ) b(2) = ( 0.000000 1.000005 -0.000000 ) b(3) = ( 0.000000 0.000000 1.008606 ) PseudoPot. # 1 for Ba read from file: /home/autes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ti read from file: /home/autes/Pseudo/Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ed6a930860ac2325f16e0d84c006faf2 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1177 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 Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 1.00) Ti 12.00 47.86700 Ti( 1.00) 2 Sym. Ops. (no inversion) found 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 inv. 180 deg rotation - cart. axis [0,0,1] 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 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 476 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 2) = ( 0.0089012 0.0089286 -0.0000000), wk = 0.0021008 k( 3) = ( 0.0178023 0.0178572 -0.0000000), wk = 0.0021008 k( 4) = ( 0.0267035 0.0267858 -0.0000000), wk = 0.0021008 k( 5) = ( 0.0356046 0.0357145 -0.0000000), wk = 0.0021008 k( 6) = ( 0.0445058 0.0446431 -0.0000000), wk = 0.0021008 k( 7) = ( 0.0534070 0.0535717 -0.0000000), wk = 0.0021008 k( 8) = ( 0.0623081 0.0625003 -0.0000000), wk = 0.0021008 k( 9) = ( 0.0712093 0.0714289 -0.0000000), wk = 0.0021008 k( 10) = ( 0.0801104 0.0803575 -0.0000000), wk = 0.0021008 k( 11) = ( 0.0890116 0.0892861 -0.0000000), wk = 0.0021008 k( 12) = ( 0.0979128 0.0982148 -0.0000000), wk = 0.0021008 k( 13) = ( 0.1068139 0.1071434 -0.0000000), wk = 0.0021008 k( 14) = ( 0.1157151 0.1160720 -0.0000000), wk = 0.0021008 k( 15) = ( 0.1246162 0.1250006 -0.0000000), wk = 0.0021008 k( 16) = ( 0.1335174 0.1339292 -0.0000000), wk = 0.0021008 k( 17) = ( 0.1424186 0.1428578 -0.0000000), wk = 0.0021008 k( 18) = ( 0.1513197 0.1517864 -0.0000000), wk = 0.0021008 k( 19) = ( 0.1602209 0.1607151 -0.0000000), wk = 0.0021008 k( 20) = ( 0.1691221 0.1696437 -0.0000000), wk = 0.0021008 k( 21) = ( 0.1780232 0.1785723 -0.0000000), wk = 0.0021008 k( 22) = ( 0.1869244 0.1875009 -0.0000000), wk = 0.0021008 k( 23) = ( 0.1958255 0.1964295 -0.0000000), wk = 0.0021008 k( 24) = ( 0.2047267 0.2053581 -0.0000000), wk = 0.0021008 k( 25) = ( 0.2136279 0.2142867 -0.0000000), wk = 0.0021008 k( 26) = ( 0.2225290 0.2232153 -0.0000000), wk = 0.0021008 k( 27) = ( 0.2314302 0.2321440 -0.0000000), wk = 0.0021008 k( 28) = ( 0.2403313 0.2410726 -0.0000000), wk = 0.0021008 k( 29) = ( 0.2492325 0.2500012 -0.0000000), wk = 0.0021008 k( 30) = ( 0.2581337 0.2589298 -0.0000000), wk = 0.0021008 k( 31) = ( 0.2670348 0.2678584 -0.0000000), wk = 0.0021008 k( 32) = ( 0.2759360 0.2767870 -0.0000000), wk = 0.0021008 k( 33) = ( 0.2848371 0.2857156 -0.0000000), wk = 0.0021008 k( 34) = ( 0.2937383 0.2946443 -0.0000000), wk = 0.0021008 k( 35) = ( 0.3026395 0.3035729 -0.0000000), wk = 0.0021008 k( 36) = ( 0.3115406 0.3125015 -0.0000000), wk = 0.0021008 k( 37) = ( 0.3204418 0.3214301 -0.0000000), wk = 0.0021008 k( 38) = ( 0.3293430 0.3303587 -0.0000000), wk = 0.0021008 k( 39) = ( 0.3382441 0.3392873 -0.0000000), wk = 0.0021008 k( 40) = ( 0.3471453 0.3482159 -0.0000000), wk = 0.0021008 k( 41) = ( 0.3560464 0.3571446 -0.0000000), wk = 0.0021008 k( 42) = ( 0.3649476 0.3660732 -0.0000000), wk = 0.0021008 k( 43) = ( 0.3738488 0.3750018 -0.0000000), wk = 0.0021008 k( 44) = ( 0.3827499 0.3839304 -0.0000000), wk = 0.0021008 k( 45) = ( 0.3916511 0.3928590 -0.0000000), wk = 0.0021008 k( 46) = ( 0.4005522 0.4017876 -0.0000000), wk = 0.0021008 k( 47) = ( 0.4094534 0.4107162 -0.0000000), wk = 0.0021008 k( 48) = ( 0.4183546 0.4196448 -0.0000000), wk = 0.0021008 k( 49) = ( 0.4272557 0.4285735 -0.0000000), wk = 0.0021008 k( 50) = ( 0.4361569 0.4375021 -0.0000000), wk = 0.0021008 k( 51) = ( 0.4450580 0.4464307 -0.0000000), wk = 0.0021008 k( 52) = ( 0.4539592 0.4553593 -0.0000000), wk = 0.0021008 k( 53) = ( 0.4628604 0.4642879 -0.0000000), wk = 0.0021008 k( 54) = ( 0.4717615 0.4732165 -0.0000000), wk = 0.0021008 k( 55) = ( 0.4806627 0.4821451 -0.0000000), wk = 0.0021008 k( 56) = ( 0.4895639 0.4910738 -0.0000000), wk = 0.0021008 k( 57) = ( 0.4984650 0.5000024 -0.0000000), wk = 0.0021008 k( 58) = ( 0.4984650 0.5000024 -0.0000000), wk = 0.0021008 k( 59) = ( 0.4856839 0.5000024 -0.0000000), wk = 0.0021008 k( 60) = ( 0.4729027 0.5000024 -0.0000000), wk = 0.0021008 k( 61) = ( 0.4601215 0.5000024 -0.0000000), wk = 0.0021008 k( 62) = ( 0.4473404 0.5000024 -0.0000000), wk = 0.0021008 k( 63) = ( 0.4345592 0.5000024 -0.0000000), wk = 0.0021008 k( 64) = ( 0.4217781 0.5000024 -0.0000000), wk = 0.0021008 k( 65) = ( 0.4089969 0.5000024 -0.0000000), wk = 0.0021008 k( 66) = ( 0.3962158 0.5000024 -0.0000000), wk = 0.0021008 k( 67) = ( 0.3834346 0.5000024 -0.0000000), wk = 0.0021008 k( 68) = ( 0.3706535 0.5000024 -0.0000000), wk = 0.0021008 k( 69) = ( 0.3578723 0.5000024 -0.0000000), wk = 0.0021008 k( 70) = ( 0.3450912 0.5000024 -0.0000000), wk = 0.0021008 k( 71) = ( 0.3323100 0.5000024 -0.0000000), wk = 0.0021008 k( 72) = ( 0.3195288 0.5000024 -0.0000000), wk = 0.0021008 k( 73) = ( 0.3067477 0.5000024 -0.0000000), wk = 0.0021008 k( 74) = ( 0.2939665 0.5000024 -0.0000000), wk = 0.0021008 k( 75) = ( 0.2811854 0.5000024 -0.0000000), wk = 0.0021008 k( 76) = ( 0.2684042 0.5000024 -0.0000000), wk = 0.0021008 k( 77) = ( 0.2556231 0.5000024 -0.0000000), wk = 0.0021008 k( 78) = ( 0.2428419 0.5000024 -0.0000000), wk = 0.0021008 k( 79) = ( 0.2300608 0.5000024 -0.0000000), wk = 0.0021008 k( 80) = ( 0.2172796 0.5000024 -0.0000000), wk = 0.0021008 k( 81) = ( 0.2044985 0.5000024 -0.0000000), wk = 0.0021008 k( 82) = ( 0.1917173 0.5000024 -0.0000000), wk = 0.0021008 k( 83) = ( 0.1789362 0.5000024 -0.0000000), wk = 0.0021008 k( 84) = ( 0.1661550 0.5000024 -0.0000000), wk = 0.0021008 k( 85) = ( 0.1533739 0.5000024 -0.0000000), wk = 0.0021008 k( 86) = ( 0.1405927 0.5000024 -0.0000000), wk = 0.0021008 k( 87) = ( 0.1278115 0.5000024 -0.0000000), wk = 0.0021008 k( 88) = ( 0.1150304 0.5000024 -0.0000000), wk = 0.0021008 k( 89) = ( 0.1022492 0.5000024 -0.0000000), wk = 0.0021008 k( 90) = ( 0.0894681 0.5000024 -0.0000000), wk = 0.0021008 k( 91) = ( 0.0766869 0.5000024 -0.0000000), wk = 0.0021008 k( 92) = ( 0.0639058 0.5000024 -0.0000000), wk = 0.0021008 k( 93) = ( 0.0511246 0.5000024 -0.0000000), wk = 0.0021008 k( 94) = ( 0.0383435 0.5000024 -0.0000000), wk = 0.0021008 k( 95) = ( 0.0255623 0.5000024 -0.0000000), wk = 0.0021008 k( 96) = ( 0.0127811 0.5000024 -0.0000000), wk = 0.0021008 k( 97) = ( 0.0000000 0.5000024 -0.0000000), wk = 0.0021008 k( 98) = ( 0.0000000 0.5000024 -0.0000000), wk = 0.0021008 k( 99) = ( 0.0000000 0.5000024 0.0126076), wk = 0.0021008 k( 100) = ( 0.0000000 0.5000024 0.0252151), wk = 0.0021008 k( 101) = ( 0.0000000 0.5000024 0.0378227), wk = 0.0021008 k( 102) = ( 0.0000000 0.5000024 0.0504303), wk = 0.0021008 k( 103) = ( 0.0000000 0.5000024 0.0630379), wk = 0.0021008 k( 104) = ( 0.0000000 0.5000024 0.0756454), wk = 0.0021008 k( 105) = ( 0.0000000 0.5000024 0.0882530), wk = 0.0021008 k( 106) = ( 0.0000000 0.5000024 0.1008606), wk = 0.0021008 k( 107) = ( 0.0000000 0.5000024 0.1134682), wk = 0.0021008 k( 108) = ( 0.0000000 0.5000024 0.1260757), wk = 0.0021008 k( 109) = ( 0.0000000 0.5000024 0.1386833), wk = 0.0021008 k( 110) = ( 0.0000000 0.5000024 0.1512909), wk = 0.0021008 k( 111) = ( 0.0000000 0.5000024 0.1638984), wk = 0.0021008 k( 112) = ( 0.0000000 0.5000024 0.1765060), wk = 0.0021008 k( 113) = ( 0.0000000 0.5000024 0.1891136), wk = 0.0021008 k( 114) = ( 0.0000000 0.5000024 0.2017212), wk = 0.0021008 k( 115) = ( 0.0000000 0.5000024 0.2143287), wk = 0.0021008 k( 116) = ( 0.0000000 0.5000024 0.2269363), wk = 0.0021008 k( 117) = ( 0.0000000 0.5000024 0.2395439), wk = 0.0021008 k( 118) = ( 0.0000000 0.5000024 0.2521515), wk = 0.0021008 k( 119) = ( 0.0000000 0.5000024 0.2647590), wk = 0.0021008 k( 120) = ( 0.0000000 0.5000024 0.2773666), wk = 0.0021008 k( 121) = ( 0.0000000 0.5000024 0.2899742), wk = 0.0021008 k( 122) = ( 0.0000000 0.5000024 0.3025818), wk = 0.0021008 k( 123) = ( 0.0000000 0.5000024 0.3151893), wk = 0.0021008 k( 124) = ( 0.0000000 0.5000024 0.3277969), wk = 0.0021008 k( 125) = ( 0.0000000 0.5000024 0.3404045), wk = 0.0021008 k( 126) = ( 0.0000000 0.5000024 0.3530120), wk = 0.0021008 k( 127) = ( 0.0000000 0.5000024 0.3656196), wk = 0.0021008 k( 128) = ( 0.0000000 0.5000024 0.3782272), wk = 0.0021008 k( 129) = ( 0.0000000 0.5000024 0.3908348), wk = 0.0021008 k( 130) = ( 0.0000000 0.5000024 0.4034423), wk = 0.0021008 k( 131) = ( 0.0000000 0.5000024 0.4160499), wk = 0.0021008 k( 132) = ( 0.0000000 0.5000024 0.4286575), wk = 0.0021008 k( 133) = ( 0.0000000 0.5000024 0.4412651), wk = 0.0021008 k( 134) = ( 0.0000000 0.5000024 0.4538726), wk = 0.0021008 k( 135) = ( 0.0000000 0.5000024 0.4664802), wk = 0.0021008 k( 136) = ( 0.0000000 0.5000024 0.4790878), wk = 0.0021008 k( 137) = ( 0.0000000 0.5000024 0.4916953), wk = 0.0021008 k( 138) = ( 0.0000000 0.5000024 0.5043029), wk = 0.0021008 k( 139) = ( 0.0000000 0.5000024 0.5043029), wk = 0.0021008 k( 140) = ( 0.0127811 0.5000024 0.5043029), wk = 0.0021008 k( 141) = ( 0.0255623 0.5000024 0.5043029), wk = 0.0021008 k( 142) = ( 0.0383435 0.5000024 0.5043029), wk = 0.0021008 k( 143) = ( 0.0511246 0.5000024 0.5043029), wk = 0.0021008 k( 144) = ( 0.0639058 0.5000024 0.5043029), wk = 0.0021008 k( 145) = ( 0.0766869 0.5000024 0.5043029), wk = 0.0021008 k( 146) = ( 0.0894681 0.5000024 0.5043029), wk = 0.0021008 k( 147) = ( 0.1022492 0.5000024 0.5043029), wk = 0.0021008 k( 148) = ( 0.1150304 0.5000024 0.5043029), wk = 0.0021008 k( 149) = ( 0.1278115 0.5000024 0.5043029), wk = 0.0021008 k( 150) = ( 0.1405927 0.5000024 0.5043029), wk = 0.0021008 k( 151) = ( 0.1533739 0.5000024 0.5043029), wk = 0.0021008 k( 152) = ( 0.1661550 0.5000024 0.5043029), wk = 0.0021008 k( 153) = ( 0.1789362 0.5000024 0.5043029), wk = 0.0021008 k( 154) = ( 0.1917173 0.5000024 0.5043029), wk = 0.0021008 k( 155) = ( 0.2044985 0.5000024 0.5043029), wk = 0.0021008 k( 156) = ( 0.2172796 0.5000024 0.5043029), wk = 0.0021008 k( 157) = ( 0.2300608 0.5000024 0.5043029), wk = 0.0021008 k( 158) = ( 0.2428419 0.5000024 0.5043029), wk = 0.0021008 k( 159) = ( 0.2556231 0.5000024 0.5043029), wk = 0.0021008 k( 160) = ( 0.2684042 0.5000024 0.5043029), wk = 0.0021008 k( 161) = ( 0.2811854 0.5000024 0.5043029), wk = 0.0021008 k( 162) = ( 0.2939665 0.5000024 0.5043029), wk = 0.0021008 k( 163) = ( 0.3067477 0.5000024 0.5043029), wk = 0.0021008 k( 164) = ( 0.3195288 0.5000024 0.5043029), wk = 0.0021008 k( 165) = ( 0.3323100 0.5000024 0.5043029), wk = 0.0021008 k( 166) = ( 0.3450912 0.5000024 0.5043029), wk = 0.0021008 k( 167) = ( 0.3578723 0.5000024 0.5043029), wk = 0.0021008 k( 168) = ( 0.3706535 0.5000024 0.5043029), wk = 0.0021008 k( 169) = ( 0.3834346 0.5000024 0.5043029), wk = 0.0021008 k( 170) = ( 0.3962158 0.5000024 0.5043029), wk = 0.0021008 k( 171) = ( 0.4089969 0.5000024 0.5043029), wk = 0.0021008 k( 172) = ( 0.4217781 0.5000024 0.5043029), wk = 0.0021008 k( 173) = ( 0.4345592 0.5000024 0.5043029), wk = 0.0021008 k( 174) = ( 0.4473404 0.5000024 0.5043029), wk = 0.0021008 k( 175) = ( 0.4601215 0.5000024 0.5043029), wk = 0.0021008 k( 176) = ( 0.4729027 0.5000024 0.5043029), wk = 0.0021008 k( 177) = ( 0.4856839 0.5000024 0.5043029), wk = 0.0021008 k( 178) = ( 0.4984650 0.5000024 0.5043029), wk = 0.0021008 k( 179) = ( 0.4984650 0.5000024 0.5043029), wk = 0.0021008 k( 180) = ( 0.4895639 0.4910738 0.5043029), wk = 0.0021008 k( 181) = ( 0.4806627 0.4821451 0.5043029), wk = 0.0021008 k( 182) = ( 0.4717615 0.4732165 0.5043029), wk = 0.0021008 k( 183) = ( 0.4628604 0.4642879 0.5043029), wk = 0.0021008 k( 184) = ( 0.4539592 0.4553593 0.5043029), wk = 0.0021008 k( 185) = ( 0.4450580 0.4464307 0.5043029), wk = 0.0021008 k( 186) = ( 0.4361569 0.4375021 0.5043029), wk = 0.0021008 k( 187) = ( 0.4272557 0.4285735 0.5043029), wk = 0.0021008 k( 188) = ( 0.4183546 0.4196448 0.5043029), wk = 0.0021008 k( 189) = ( 0.4094534 0.4107162 0.5043029), wk = 0.0021008 k( 190) = ( 0.4005522 0.4017876 0.5043029), wk = 0.0021008 k( 191) = ( 0.3916511 0.3928590 0.5043029), wk = 0.0021008 k( 192) = ( 0.3827499 0.3839304 0.5043029), wk = 0.0021008 k( 193) = ( 0.3738488 0.3750018 0.5043029), wk = 0.0021008 k( 194) = ( 0.3649476 0.3660732 0.5043029), wk = 0.0021008 k( 195) = ( 0.3560464 0.3571446 0.5043029), wk = 0.0021008 k( 196) = ( 0.3471453 0.3482159 0.5043029), wk = 0.0021008 k( 197) = ( 0.3382441 0.3392873 0.5043029), wk = 0.0021008 k( 198) = ( 0.3293430 0.3303587 0.5043029), wk = 0.0021008 k( 199) = ( 0.3204418 0.3214301 0.5043029), wk = 0.0021008 k( 200) = ( 0.3115406 0.3125015 0.5043029), wk = 0.0021008 k( 201) = ( 0.3026395 0.3035729 0.5043029), wk = 0.0021008 k( 202) = ( 0.2937383 0.2946443 0.5043029), wk = 0.0021008 k( 203) = ( 0.2848371 0.2857156 0.5043029), wk = 0.0021008 k( 204) = ( 0.2759360 0.2767870 0.5043029), wk = 0.0021008 k( 205) = ( 0.2670348 0.2678584 0.5043029), wk = 0.0021008 k( 206) = ( 0.2581337 0.2589298 0.5043029), wk = 0.0021008 k( 207) = ( 0.2492325 0.2500012 0.5043029), wk = 0.0021008 k( 208) = ( 0.2403313 0.2410726 0.5043029), wk = 0.0021008 k( 209) = ( 0.2314302 0.2321440 0.5043029), wk = 0.0021008 k( 210) = ( 0.2225290 0.2232153 0.5043029), wk = 0.0021008 k( 211) = ( 0.2136279 0.2142867 0.5043029), wk = 0.0021008 k( 212) = ( 0.2047267 0.2053581 0.5043029), wk = 0.0021008 k( 213) = ( 0.1958255 0.1964295 0.5043029), wk = 0.0021008 k( 214) = ( 0.1869244 0.1875009 0.5043029), wk = 0.0021008 k( 215) = ( 0.1780232 0.1785723 0.5043029), wk = 0.0021008 k( 216) = ( 0.1691221 0.1696437 0.5043029), wk = 0.0021008 k( 217) = ( 0.1602209 0.1607151 0.5043029), wk = 0.0021008 k( 218) = ( 0.1513197 0.1517864 0.5043029), wk = 0.0021008 k( 219) = ( 0.1424186 0.1428578 0.5043029), wk = 0.0021008 k( 220) = ( 0.1335174 0.1339292 0.5043029), wk = 0.0021008 k( 221) = ( 0.1246162 0.1250006 0.5043029), wk = 0.0021008 k( 222) = ( 0.1157151 0.1160720 0.5043029), wk = 0.0021008 k( 223) = ( 0.1068139 0.1071434 0.5043029), wk = 0.0021008 k( 224) = ( 0.0979128 0.0982148 0.5043029), wk = 0.0021008 k( 225) = ( 0.0890116 0.0892861 0.5043029), wk = 0.0021008 k( 226) = ( 0.0801104 0.0803575 0.5043029), wk = 0.0021008 k( 227) = ( 0.0712093 0.0714289 0.5043029), wk = 0.0021008 k( 228) = ( 0.0623081 0.0625003 0.5043029), wk = 0.0021008 k( 229) = ( 0.0534070 0.0535717 0.5043029), wk = 0.0021008 k( 230) = ( 0.0445058 0.0446431 0.5043029), wk = 0.0021008 k( 231) = ( 0.0356046 0.0357145 0.5043029), wk = 0.0021008 k( 232) = ( 0.0267035 0.0267858 0.5043029), wk = 0.0021008 k( 233) = ( 0.0178023 0.0178572 0.5043029), wk = 0.0021008 k( 234) = ( 0.0089012 0.0089286 0.5043029), wk = 0.0021008 k( 235) = ( 0.0000000 0.0000000 0.5043029), wk = 0.0021008 k( 236) = ( 0.0000000 0.0000000 0.5043029), wk = 0.0021008 k( 237) = ( 0.0000000 0.0000000 0.4916953), wk = 0.0021008 k( 238) = ( 0.0000000 0.0000000 0.4790878), wk = 0.0021008 k( 239) = ( 0.0000000 0.0000000 0.4664802), wk = 0.0021008 k( 240) = ( 0.0000000 0.0000000 0.4538726), wk = 0.0021008 k( 241) = ( 0.0000000 0.0000000 0.4412651), wk = 0.0021008 k( 242) = ( 0.0000000 0.0000000 0.4286575), wk = 0.0021008 k( 243) = ( 0.0000000 0.0000000 0.4160499), wk = 0.0021008 k( 244) = ( 0.0000000 0.0000000 0.4034423), wk = 0.0021008 k( 245) = ( 0.0000000 0.0000000 0.3908348), wk = 0.0021008 k( 246) = ( 0.0000000 0.0000000 0.3782272), wk = 0.0021008 k( 247) = ( 0.0000000 0.0000000 0.3656196), wk = 0.0021008 k( 248) = ( 0.0000000 0.0000000 0.3530120), wk = 0.0021008 k( 249) = ( 0.0000000 0.0000000 0.3404045), wk = 0.0021008 k( 250) = ( 0.0000000 0.0000000 0.3277969), wk = 0.0021008 k( 251) = ( 0.0000000 0.0000000 0.3151893), wk = 0.0021008 k( 252) = ( 0.0000000 0.0000000 0.3025818), wk = 0.0021008 k( 253) = ( 0.0000000 0.0000000 0.2899742), wk = 0.0021008 k( 254) = ( 0.0000000 0.0000000 0.2773666), wk = 0.0021008 k( 255) = ( 0.0000000 0.0000000 0.2647590), wk = 0.0021008 k( 256) = ( 0.0000000 0.0000000 0.2521515), wk = 0.0021008 k( 257) = ( 0.0000000 0.0000000 0.2395439), wk = 0.0021008 k( 258) = ( 0.0000000 0.0000000 0.2269363), wk = 0.0021008 k( 259) = ( 0.0000000 0.0000000 0.2143287), wk = 0.0021008 k( 260) = ( 0.0000000 0.0000000 0.2017212), wk = 0.0021008 k( 261) = ( 0.0000000 0.0000000 0.1891136), wk = 0.0021008 k( 262) = ( 0.0000000 0.0000000 0.1765060), wk = 0.0021008 k( 263) = ( 0.0000000 0.0000000 0.1638984), wk = 0.0021008 k( 264) = ( 0.0000000 0.0000000 0.1512909), wk = 0.0021008 k( 265) = ( 0.0000000 0.0000000 0.1386833), wk = 0.0021008 k( 266) = ( 0.0000000 0.0000000 0.1260757), wk = 0.0021008 k( 267) = ( 0.0000000 0.0000000 0.1134682), wk = 0.0021008 k( 268) = ( 0.0000000 0.0000000 0.1008606), wk = 0.0021008 k( 269) = ( 0.0000000 0.0000000 0.0882530), wk = 0.0021008 k( 270) = ( 0.0000000 0.0000000 0.0756454), wk = 0.0021008 k( 271) = ( 0.0000000 0.0000000 0.0630379), wk = 0.0021008 k( 272) = ( 0.0000000 0.0000000 0.0504303), wk = 0.0021008 k( 273) = ( 0.0000000 0.0000000 0.0378227), wk = 0.0021008 k( 274) = ( 0.0000000 0.0000000 0.0252151), wk = 0.0021008 k( 275) = ( 0.0000000 0.0000000 0.0126076), wk = 0.0021008 k( 276) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 277) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 278) = ( -0.0089286 0.0089011 0.0000000), wk = 0.0021008 k( 279) = ( -0.0178571 0.0178022 0.0000000), wk = 0.0021008 k( 280) = ( -0.0267857 0.0267034 0.0000000), wk = 0.0021008 k( 281) = ( -0.0357143 0.0356045 0.0000000), wk = 0.0021008 k( 282) = ( -0.0446429 0.0445056 0.0000000), wk = 0.0021008 k( 283) = ( -0.0535714 0.0534067 0.0000000), wk = 0.0021008 k( 284) = ( -0.0625000 0.0623078 0.0000000), wk = 0.0021008 k( 285) = ( -0.0714286 0.0712089 0.0000000), wk = 0.0021008 k( 286) = ( -0.0803571 0.0801101 0.0000000), wk = 0.0021008 k( 287) = ( -0.0892857 0.0890112 0.0000000), wk = 0.0021008 k( 288) = ( -0.0982143 0.0979123 0.0000000), wk = 0.0021008 k( 289) = ( -0.1071429 0.1068134 0.0000000), wk = 0.0021008 k( 290) = ( -0.1160714 0.1157145 0.0000000), wk = 0.0021008 k( 291) = ( -0.1250000 0.1246157 0.0000000), wk = 0.0021008 k( 292) = ( -0.1339286 0.1335168 0.0000000), wk = 0.0021008 k( 293) = ( -0.1428571 0.1424179 0.0000000), wk = 0.0021008 k( 294) = ( -0.1517857 0.1513190 0.0000000), wk = 0.0021008 k( 295) = ( -0.1607143 0.1602201 0.0000000), wk = 0.0021008 k( 296) = ( -0.1696429 0.1691213 0.0000000), wk = 0.0021008 k( 297) = ( -0.1785714 0.1780224 0.0000000), wk = 0.0021008 k( 298) = ( -0.1875000 0.1869235 0.0000000), wk = 0.0021008 k( 299) = ( -0.1964286 0.1958246 0.0000000), wk = 0.0021008 k( 300) = ( -0.2053571 0.2047257 0.0000000), wk = 0.0021008 k( 301) = ( -0.2142857 0.2136268 0.0000000), wk = 0.0021008 k( 302) = ( -0.2232143 0.2225280 0.0000000), wk = 0.0021008 k( 303) = ( -0.2321429 0.2314291 0.0000000), wk = 0.0021008 k( 304) = ( -0.2410714 0.2403302 0.0000000), wk = 0.0021008 k( 305) = ( -0.2500000 0.2492313 0.0000000), wk = 0.0021008 k( 306) = ( -0.2589286 0.2581324 0.0000000), wk = 0.0021008 k( 307) = ( -0.2678571 0.2670336 0.0000000), wk = 0.0021008 k( 308) = ( -0.2767857 0.2759347 0.0000000), wk = 0.0021008 k( 309) = ( -0.2857143 0.2848358 0.0000000), wk = 0.0021008 k( 310) = ( -0.2946429 0.2937369 0.0000000), wk = 0.0021008 k( 311) = ( -0.3035714 0.3026380 0.0000000), wk = 0.0021008 k( 312) = ( -0.3125000 0.3115392 0.0000000), wk = 0.0021008 k( 313) = ( -0.3214286 0.3204403 0.0000000), wk = 0.0021008 k( 314) = ( -0.3303571 0.3293414 0.0000000), wk = 0.0021008 k( 315) = ( -0.3392857 0.3382425 0.0000000), wk = 0.0021008 k( 316) = ( -0.3482143 0.3471436 0.0000000), wk = 0.0021008 k( 317) = ( -0.3571429 0.3560448 0.0000000), wk = 0.0021008 k( 318) = ( -0.3660714 0.3649459 0.0000000), wk = 0.0021008 k( 319) = ( -0.3750000 0.3738470 0.0000000), wk = 0.0021008 k( 320) = ( -0.3839286 0.3827481 0.0000000), wk = 0.0021008 k( 321) = ( -0.3928571 0.3916492 0.0000000), wk = 0.0021008 k( 322) = ( -0.4017857 0.4005503 0.0000000), wk = 0.0021008 k( 323) = ( -0.4107143 0.4094515 0.0000000), wk = 0.0021008 k( 324) = ( -0.4196429 0.4183526 0.0000000), wk = 0.0021008 k( 325) = ( -0.4285714 0.4272537 0.0000000), wk = 0.0021008 k( 326) = ( -0.4375000 0.4361548 0.0000000), wk = 0.0021008 k( 327) = ( -0.4464286 0.4450559 0.0000000), wk = 0.0021008 k( 328) = ( -0.4553571 0.4539571 0.0000000), wk = 0.0021008 k( 329) = ( -0.4642857 0.4628582 0.0000000), wk = 0.0021008 k( 330) = ( -0.4732143 0.4717593 0.0000000), wk = 0.0021008 k( 331) = ( -0.4821429 0.4806604 0.0000000), wk = 0.0021008 k( 332) = ( -0.4910714 0.4895615 0.0000000), wk = 0.0021008 k( 333) = ( -0.5000000 0.4984626 0.0000000), wk = 0.0021008 k( 334) = ( -0.5000000 0.4984626 0.0000000), wk = 0.0021008 k( 335) = ( -0.4984650 0.5000024 -0.0000000), wk = 0.0021008 k( 336) = ( -0.4984650 0.5000024 -0.0000000), wk = 0.0021008 k( 337) = ( -0.4984650 0.5000024 0.0126076), wk = 0.0021008 k( 338) = ( -0.4984650 0.5000024 0.0252151), wk = 0.0021008 k( 339) = ( -0.4984650 0.5000024 0.0378227), wk = 0.0021008 k( 340) = ( -0.4984650 0.5000024 0.0504303), wk = 0.0021008 k( 341) = ( -0.4984650 0.5000024 0.0630379), wk = 0.0021008 k( 342) = ( -0.4984650 0.5000024 0.0756454), wk = 0.0021008 k( 343) = ( -0.4984650 0.5000024 0.0882530), wk = 0.0021008 k( 344) = ( -0.4984650 0.5000024 0.1008606), wk = 0.0021008 k( 345) = ( -0.4984650 0.5000024 0.1134682), wk = 0.0021008 k( 346) = ( -0.4984650 0.5000024 0.1260757), wk = 0.0021008 k( 347) = ( -0.4984650 0.5000024 0.1386833), wk = 0.0021008 k( 348) = ( -0.4984650 0.5000024 0.1512909), wk = 0.0021008 k( 349) = ( -0.4984650 0.5000024 0.1638984), wk = 0.0021008 k( 350) = ( -0.4984650 0.5000024 0.1765060), wk = 0.0021008 k( 351) = ( -0.4984650 0.5000024 0.1891136), wk = 0.0021008 k( 352) = ( -0.4984650 0.5000024 0.2017212), wk = 0.0021008 k( 353) = ( -0.4984650 0.5000024 0.2143287), wk = 0.0021008 k( 354) = ( -0.4984650 0.5000024 0.2269363), wk = 0.0021008 k( 355) = ( -0.4984650 0.5000024 0.2395439), wk = 0.0021008 k( 356) = ( -0.4984650 0.5000024 0.2521515), wk = 0.0021008 k( 357) = ( -0.4984650 0.5000024 0.2647590), wk = 0.0021008 k( 358) = ( -0.4984650 0.5000024 0.2773666), wk = 0.0021008 k( 359) = ( -0.4984650 0.5000024 0.2899742), wk = 0.0021008 k( 360) = ( -0.4984650 0.5000024 0.3025818), wk = 0.0021008 k( 361) = ( -0.4984650 0.5000024 0.3151893), wk = 0.0021008 k( 362) = ( -0.4984650 0.5000024 0.3277969), wk = 0.0021008 k( 363) = ( -0.4984650 0.5000024 0.3404045), wk = 0.0021008 k( 364) = ( -0.4984650 0.5000024 0.3530120), wk = 0.0021008 k( 365) = ( -0.4984650 0.5000024 0.3656196), wk = 0.0021008 k( 366) = ( -0.4984650 0.5000024 0.3782272), wk = 0.0021008 k( 367) = ( -0.4984650 0.5000024 0.3908348), wk = 0.0021008 k( 368) = ( -0.4984650 0.5000024 0.4034423), wk = 0.0021008 k( 369) = ( -0.4984650 0.5000024 0.4160499), wk = 0.0021008 k( 370) = ( -0.4984650 0.5000024 0.4286575), wk = 0.0021008 k( 371) = ( -0.4984650 0.5000024 0.4412651), wk = 0.0021008 k( 372) = ( -0.4984650 0.5000024 0.4538726), wk = 0.0021008 k( 373) = ( -0.4984650 0.5000024 0.4664802), wk = 0.0021008 k( 374) = ( -0.4984650 0.5000024 0.4790878), wk = 0.0021008 k( 375) = ( -0.4984650 0.5000024 0.4916953), wk = 0.0021008 k( 376) = ( -0.4984650 0.5000024 0.5043029), wk = 0.0021008 k( 377) = ( -0.4984650 0.5000024 0.5043029), wk = 0.0021008 k( 378) = ( -0.5000000 0.4984626 0.5043029), wk = 0.0021008 k( 379) = ( -0.5000000 0.4984626 0.5043029), wk = 0.0021008 k( 380) = ( -0.5000000 0.4984626 0.4916953), wk = 0.0021008 k( 381) = ( -0.5000000 0.4984626 0.4790878), wk = 0.0021008 k( 382) = ( -0.5000000 0.4984626 0.4664802), wk = 0.0021008 k( 383) = ( -0.5000000 0.4984626 0.4538726), wk = 0.0021008 k( 384) = ( -0.5000000 0.4984626 0.4412651), wk = 0.0021008 k( 385) = ( -0.5000000 0.4984626 0.4286575), wk = 0.0021008 k( 386) = ( -0.5000000 0.4984626 0.4160499), wk = 0.0021008 k( 387) = ( -0.5000000 0.4984626 0.4034423), wk = 0.0021008 k( 388) = ( -0.5000000 0.4984626 0.3908348), wk = 0.0021008 k( 389) = ( -0.5000000 0.4984626 0.3782272), wk = 0.0021008 k( 390) = ( -0.5000000 0.4984626 0.3656196), wk = 0.0021008 k( 391) = ( -0.5000000 0.4984626 0.3530120), wk = 0.0021008 k( 392) = ( -0.5000000 0.4984626 0.3404045), wk = 0.0021008 k( 393) = ( -0.5000000 0.4984626 0.3277969), wk = 0.0021008 k( 394) = ( -0.5000000 0.4984626 0.3151893), wk = 0.0021008 k( 395) = ( -0.5000000 0.4984626 0.3025818), wk = 0.0021008 k( 396) = ( -0.5000000 0.4984626 0.2899742), wk = 0.0021008 k( 397) = ( -0.5000000 0.4984626 0.2773666), wk = 0.0021008 k( 398) = ( -0.5000000 0.4984626 0.2647590), wk = 0.0021008 k( 399) = ( -0.5000000 0.4984626 0.2521515), wk = 0.0021008 k( 400) = ( -0.5000000 0.4984626 0.2395439), wk = 0.0021008 k( 401) = ( -0.5000000 0.4984626 0.2269363), wk = 0.0021008 k( 402) = ( -0.5000000 0.4984626 0.2143287), wk = 0.0021008 k( 403) = ( -0.5000000 0.4984626 0.2017212), wk = 0.0021008 k( 404) = ( -0.5000000 0.4984626 0.1891136), wk = 0.0021008 k( 405) = ( -0.5000000 0.4984626 0.1765060), wk = 0.0021008 k( 406) = ( -0.5000000 0.4984626 0.1638984), wk = 0.0021008 k( 407) = ( -0.5000000 0.4984626 0.1512909), wk = 0.0021008 k( 408) = ( -0.5000000 0.4984626 0.1386833), wk = 0.0021008 k( 409) = ( -0.5000000 0.4984626 0.1260757), wk = 0.0021008 k( 410) = ( -0.5000000 0.4984626 0.1134682), wk = 0.0021008 k( 411) = ( -0.5000000 0.4984626 0.1008606), wk = 0.0021008 k( 412) = ( -0.5000000 0.4984626 0.0882530), wk = 0.0021008 k( 413) = ( -0.5000000 0.4984626 0.0756454), wk = 0.0021008 k( 414) = ( -0.5000000 0.4984626 0.0630379), wk = 0.0021008 k( 415) = ( -0.5000000 0.4984626 0.0504303), wk = 0.0021008 k( 416) = ( -0.5000000 0.4984626 0.0378227), wk = 0.0021008 k( 417) = ( -0.5000000 0.4984626 0.0252151), wk = 0.0021008 k( 418) = ( -0.5000000 0.4984626 0.0126076), wk = 0.0021008 k( 419) = ( -0.5000000 0.4984626 0.0000000), wk = 0.0021008 k( 420) = ( 0.0000000 0.0000000 0.5043029), wk = 0.0021008 k( 421) = ( -0.0089286 0.0089011 0.5043029), wk = 0.0021008 k( 422) = ( -0.0178571 0.0178022 0.5043029), wk = 0.0021008 k( 423) = ( -0.0267857 0.0267034 0.5043029), wk = 0.0021008 k( 424) = ( -0.0357143 0.0356045 0.5043029), wk = 0.0021008 k( 425) = ( -0.0446429 0.0445056 0.5043029), wk = 0.0021008 k( 426) = ( -0.0535714 0.0534067 0.5043029), wk = 0.0021008 k( 427) = ( -0.0625000 0.0623078 0.5043029), wk = 0.0021008 k( 428) = ( -0.0714286 0.0712089 0.5043029), wk = 0.0021008 k( 429) = ( -0.0803571 0.0801101 0.5043029), wk = 0.0021008 k( 430) = ( -0.0892857 0.0890112 0.5043029), wk = 0.0021008 k( 431) = ( -0.0982143 0.0979123 0.5043029), wk = 0.0021008 k( 432) = ( -0.1071429 0.1068134 0.5043029), wk = 0.0021008 k( 433) = ( -0.1160714 0.1157145 0.5043029), wk = 0.0021008 k( 434) = ( -0.1250000 0.1246157 0.5043029), wk = 0.0021008 k( 435) = ( -0.1339286 0.1335168 0.5043029), wk = 0.0021008 k( 436) = ( -0.1428571 0.1424179 0.5043029), wk = 0.0021008 k( 437) = ( -0.1517857 0.1513190 0.5043029), wk = 0.0021008 k( 438) = ( -0.1607143 0.1602201 0.5043029), wk = 0.0021008 k( 439) = ( -0.1696429 0.1691213 0.5043029), wk = 0.0021008 k( 440) = ( -0.1785714 0.1780224 0.5043029), wk = 0.0021008 k( 441) = ( -0.1875000 0.1869235 0.5043029), wk = 0.0021008 k( 442) = ( -0.1964286 0.1958246 0.5043029), wk = 0.0021008 k( 443) = ( -0.2053571 0.2047257 0.5043029), wk = 0.0021008 k( 444) = ( -0.2142857 0.2136268 0.5043029), wk = 0.0021008 k( 445) = ( -0.2232143 0.2225280 0.5043029), wk = 0.0021008 k( 446) = ( -0.2321429 0.2314291 0.5043029), wk = 0.0021008 k( 447) = ( -0.2410714 0.2403302 0.5043029), wk = 0.0021008 k( 448) = ( -0.2500000 0.2492313 0.5043029), wk = 0.0021008 k( 449) = ( -0.2589286 0.2581324 0.5043029), wk = 0.0021008 k( 450) = ( -0.2678571 0.2670336 0.5043029), wk = 0.0021008 k( 451) = ( -0.2767857 0.2759347 0.5043029), wk = 0.0021008 k( 452) = ( -0.2857143 0.2848358 0.5043029), wk = 0.0021008 k( 453) = ( -0.2946429 0.2937369 0.5043029), wk = 0.0021008 k( 454) = ( -0.3035714 0.3026380 0.5043029), wk = 0.0021008 k( 455) = ( -0.3125000 0.3115392 0.5043029), wk = 0.0021008 k( 456) = ( -0.3214286 0.3204403 0.5043029), wk = 0.0021008 k( 457) = ( -0.3303571 0.3293414 0.5043029), wk = 0.0021008 k( 458) = ( -0.3392857 0.3382425 0.5043029), wk = 0.0021008 k( 459) = ( -0.3482143 0.3471436 0.5043029), wk = 0.0021008 k( 460) = ( -0.3571429 0.3560448 0.5043029), wk = 0.0021008 k( 461) = ( -0.3660714 0.3649459 0.5043029), wk = 0.0021008 k( 462) = ( -0.3750000 0.3738470 0.5043029), wk = 0.0021008 k( 463) = ( -0.3839286 0.3827481 0.5043029), wk = 0.0021008 k( 464) = ( -0.3928571 0.3916492 0.5043029), wk = 0.0021008 k( 465) = ( -0.4017857 0.4005503 0.5043029), wk = 0.0021008 k( 466) = ( -0.4107143 0.4094515 0.5043029), wk = 0.0021008 k( 467) = ( -0.4196429 0.4183526 0.5043029), wk = 0.0021008 k( 468) = ( -0.4285714 0.4272537 0.5043029), wk = 0.0021008 k( 469) = ( -0.4375000 0.4361548 0.5043029), wk = 0.0021008 k( 470) = ( -0.4464286 0.4450559 0.5043029), wk = 0.0021008 k( 471) = ( -0.4553571 0.4539571 0.5043029), wk = 0.0021008 k( 472) = ( -0.4642857 0.4628582 0.5043029), wk = 0.0021008 k( 473) = ( -0.4732143 0.4717593 0.5043029), wk = 0.0021008 k( 474) = ( -0.4821429 0.4806604 0.5043029), wk = 0.0021008 k( 475) = ( -0.4910714 0.4895615 0.5043029), wk = 0.0021008 k( 476) = ( -0.5000000 0.4984626 0.5043029), wk = 0.0021008 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 2) = ( 0.0089012 0.0089012 0.0000000), wk = 0.0021008 k( 3) = ( 0.0178023 0.0178023 0.0000000), wk = 0.0021008 k( 4) = ( 0.0267035 0.0267035 0.0000000), wk = 0.0021008 k( 5) = ( 0.0356046 0.0356046 0.0000000), wk = 0.0021008 k( 6) = ( 0.0445058 0.0445058 0.0000000), wk = 0.0021008 k( 7) = ( 0.0534070 0.0534070 0.0000000), wk = 0.0021008 k( 8) = ( 0.0623081 0.0623081 0.0000000), wk = 0.0021008 k( 9) = ( 0.0712093 0.0712093 0.0000000), wk = 0.0021008 k( 10) = ( 0.0801104 0.0801104 0.0000000), wk = 0.0021008 k( 11) = ( 0.0890116 0.0890116 0.0000000), wk = 0.0021008 k( 12) = ( 0.0979128 0.0979128 -0.0000000), wk = 0.0021008 k( 13) = ( 0.1068139 0.1068139 0.0000000), wk = 0.0021008 k( 14) = ( 0.1157151 0.1157151 0.0000000), wk = 0.0021008 k( 15) = ( 0.1246162 0.1246162 0.0000000), wk = 0.0021008 k( 16) = ( 0.1335174 0.1335174 0.0000000), wk = 0.0021008 k( 17) = ( 0.1424186 0.1424186 0.0000000), wk = 0.0021008 k( 18) = ( 0.1513197 0.1513197 -0.0000000), wk = 0.0021008 k( 19) = ( 0.1602209 0.1602209 0.0000000), wk = 0.0021008 k( 20) = ( 0.1691221 0.1691221 0.0000000), wk = 0.0021008 k( 21) = ( 0.1780232 0.1780232 0.0000000), wk = 0.0021008 k( 22) = ( 0.1869244 0.1869244 0.0000000), wk = 0.0021008 k( 23) = ( 0.1958255 0.1958255 -0.0000000), wk = 0.0021008 k( 24) = ( 0.2047267 0.2047267 0.0000000), wk = 0.0021008 k( 25) = ( 0.2136279 0.2136279 0.0000000), wk = 0.0021008 k( 26) = ( 0.2225290 0.2225290 0.0000000), wk = 0.0021008 k( 27) = ( 0.2314302 0.2314302 0.0000000), wk = 0.0021008 k( 28) = ( 0.2403313 0.2403313 0.0000000), wk = 0.0021008 k( 29) = ( 0.2492325 0.2492325 0.0000000), wk = 0.0021008 k( 30) = ( 0.2581337 0.2581337 0.0000000), wk = 0.0021008 k( 31) = ( 0.2670348 0.2670348 0.0000000), wk = 0.0021008 k( 32) = ( 0.2759360 0.2759360 0.0000000), wk = 0.0021008 k( 33) = ( 0.2848371 0.2848371 0.0000000), wk = 0.0021008 k( 34) = ( 0.2937383 0.2937383 0.0000000), wk = 0.0021008 k( 35) = ( 0.3026395 0.3026395 0.0000000), wk = 0.0021008 k( 36) = ( 0.3115406 0.3115406 0.0000000), wk = 0.0021008 k( 37) = ( 0.3204418 0.3204418 0.0000000), wk = 0.0021008 k( 38) = ( 0.3293430 0.3293430 0.0000000), wk = 0.0021008 k( 39) = ( 0.3382441 0.3382441 -0.0000000), wk = 0.0021008 k( 40) = ( 0.3471453 0.3471453 0.0000000), wk = 0.0021008 k( 41) = ( 0.3560464 0.3560464 0.0000000), wk = 0.0021008 k( 42) = ( 0.3649476 0.3649476 0.0000000), wk = 0.0021008 k( 43) = ( 0.3738488 0.3738488 0.0000000), wk = 0.0021008 k( 44) = ( 0.3827499 0.3827499 0.0000000), wk = 0.0021008 k( 45) = ( 0.3916511 0.3916511 -0.0000000), wk = 0.0021008 k( 46) = ( 0.4005522 0.4005522 -0.0000000), wk = 0.0021008 k( 47) = ( 0.4094534 0.4094534 0.0000000), wk = 0.0021008 k( 48) = ( 0.4183546 0.4183546 0.0000000), wk = 0.0021008 k( 49) = ( 0.4272557 0.4272557 0.0000000), wk = 0.0021008 k( 50) = ( 0.4361569 0.4361569 0.0000000), wk = 0.0021008 k( 51) = ( 0.4450580 0.4450580 0.0000000), wk = 0.0021008 k( 52) = ( 0.4539592 0.4539592 0.0000000), wk = 0.0021008 k( 53) = ( 0.4628604 0.4628604 -0.0000000), wk = 0.0021008 k( 54) = ( 0.4717615 0.4717615 0.0000000), wk = 0.0021008 k( 55) = ( 0.4806627 0.4806627 0.0000000), wk = 0.0021008 k( 56) = ( 0.4895639 0.4895638 0.0000000), wk = 0.0021008 k( 57) = ( 0.4984650 0.4984650 0.0000000), wk = 0.0021008 k( 58) = ( 0.4984650 0.4984650 0.0000000), wk = 0.0021008 k( 59) = ( 0.4856839 0.4985044 0.0000000), wk = 0.0021008 k( 60) = ( 0.4729027 0.4985437 0.0000000), wk = 0.0021008 k( 61) = ( 0.4601215 0.4985831 0.0000000), wk = 0.0021008 k( 62) = ( 0.4473404 0.4986225 0.0000000), wk = 0.0021008 k( 63) = ( 0.4345592 0.4986618 0.0000000), wk = 0.0021008 k( 64) = ( 0.4217781 0.4987012 0.0000000), wk = 0.0021008 k( 65) = ( 0.4089969 0.4987405 0.0000000), wk = 0.0021008 k( 66) = ( 0.3962158 0.4987799 0.0000000), wk = 0.0021008 k( 67) = ( 0.3834346 0.4988192 -0.0000000), wk = 0.0021008 k( 68) = ( 0.3706535 0.4988586 0.0000000), wk = 0.0021008 k( 69) = ( 0.3578723 0.4988980 0.0000000), wk = 0.0021008 k( 70) = ( 0.3450912 0.4989373 0.0000000), wk = 0.0021008 k( 71) = ( 0.3323100 0.4989767 0.0000000), wk = 0.0021008 k( 72) = ( 0.3195288 0.4990160 0.0000000), wk = 0.0021008 k( 73) = ( 0.3067477 0.4990554 0.0000000), wk = 0.0021008 k( 74) = ( 0.2939665 0.4990948 0.0000000), wk = 0.0021008 k( 75) = ( 0.2811854 0.4991341 0.0000000), wk = 0.0021008 k( 76) = ( 0.2684042 0.4991735 0.0000000), wk = 0.0021008 k( 77) = ( 0.2556231 0.4992128 0.0000000), wk = 0.0021008 k( 78) = ( 0.2428419 0.4992522 0.0000000), wk = 0.0021008 k( 79) = ( 0.2300608 0.4992915 0.0000000), wk = 0.0021008 k( 80) = ( 0.2172796 0.4993309 0.0000000), wk = 0.0021008 k( 81) = ( 0.2044985 0.4993703 0.0000000), wk = 0.0021008 k( 82) = ( 0.1917173 0.4994096 0.0000000), wk = 0.0021008 k( 83) = ( 0.1789362 0.4994490 0.0000000), wk = 0.0021008 k( 84) = ( 0.1661550 0.4994883 0.0000000), wk = 0.0021008 k( 85) = ( 0.1533739 0.4995277 -0.0000000), wk = 0.0021008 k( 86) = ( 0.1405927 0.4995671 0.0000000), wk = 0.0021008 k( 87) = ( 0.1278115 0.4996064 0.0000000), wk = 0.0021008 k( 88) = ( 0.1150304 0.4996458 -0.0000000), wk = 0.0021008 k( 89) = ( 0.1022492 0.4996851 0.0000000), wk = 0.0021008 k( 90) = ( 0.0894681 0.4997245 0.0000000), wk = 0.0021008 k( 91) = ( 0.0766869 0.4997639 0.0000000), wk = 0.0021008 k( 92) = ( 0.0639058 0.4998032 0.0000000), wk = 0.0021008 k( 93) = ( 0.0511246 0.4998426 0.0000000), wk = 0.0021008 k( 94) = ( 0.0383435 0.4998819 -0.0000000), wk = 0.0021008 k( 95) = ( 0.0255623 0.4999213 0.0000000), wk = 0.0021008 k( 96) = ( 0.0127811 0.4999606 0.0000000), wk = 0.0021008 k( 97) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021008 k( 98) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021008 k( 99) = ( 0.0000000 0.5000000 0.0125000), wk = 0.0021008 k( 100) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0021008 k( 101) = ( 0.0000000 0.5000000 0.0375000), wk = 0.0021008 k( 102) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0021008 k( 103) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0021008 k( 104) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0021008 k( 105) = ( 0.0000000 0.5000000 0.0875000), wk = 0.0021008 k( 106) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0021008 k( 107) = ( 0.0000000 0.5000000 0.1125000), wk = 0.0021008 k( 108) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0021008 k( 109) = ( 0.0000000 0.5000000 0.1375000), wk = 0.0021008 k( 110) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0021008 k( 111) = ( 0.0000000 0.5000000 0.1625000), wk = 0.0021008 k( 112) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0021008 k( 113) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0021008 k( 114) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0021008 k( 115) = ( 0.0000000 0.5000000 0.2125000), wk = 0.0021008 k( 116) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0021008 k( 117) = ( 0.0000000 0.5000000 0.2375000), wk = 0.0021008 k( 118) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0021008 k( 119) = ( 0.0000000 0.5000000 0.2625000), wk = 0.0021008 k( 120) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0021008 k( 121) = ( 0.0000000 0.5000000 0.2875000), wk = 0.0021008 k( 122) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0021008 k( 123) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0021008 k( 124) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0021008 k( 125) = ( 0.0000000 0.5000000 0.3375000), wk = 0.0021008 k( 126) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0021008 k( 127) = ( 0.0000000 0.5000000 0.3625000), wk = 0.0021008 k( 128) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0021008 k( 129) = ( 0.0000000 0.5000000 0.3875000), wk = 0.0021008 k( 130) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0021008 k( 131) = ( 0.0000000 0.5000000 0.4125000), wk = 0.0021008 k( 132) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0021008 k( 133) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0021008 k( 134) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0021008 k( 135) = ( 0.0000000 0.5000000 0.4625000), wk = 0.0021008 k( 136) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0021008 k( 137) = ( 0.0000000 0.5000000 0.4875000), wk = 0.0021008 k( 138) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021008 k( 139) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021008 k( 140) = ( 0.0127811 0.4999606 0.5000000), wk = 0.0021008 k( 141) = ( 0.0255623 0.4999213 0.5000000), wk = 0.0021008 k( 142) = ( 0.0383435 0.4998819 0.5000000), wk = 0.0021008 k( 143) = ( 0.0511246 0.4998426 0.5000000), wk = 0.0021008 k( 144) = ( 0.0639058 0.4998032 0.5000000), wk = 0.0021008 k( 145) = ( 0.0766869 0.4997639 0.5000000), wk = 0.0021008 k( 146) = ( 0.0894681 0.4997245 0.5000000), wk = 0.0021008 k( 147) = ( 0.1022492 0.4996851 0.5000000), wk = 0.0021008 k( 148) = ( 0.1150304 0.4996458 0.5000000), wk = 0.0021008 k( 149) = ( 0.1278115 0.4996064 0.5000000), wk = 0.0021008 k( 150) = ( 0.1405927 0.4995671 0.5000000), wk = 0.0021008 k( 151) = ( 0.1533739 0.4995277 0.5000000), wk = 0.0021008 k( 152) = ( 0.1661550 0.4994883 0.5000000), wk = 0.0021008 k( 153) = ( 0.1789362 0.4994490 0.5000000), wk = 0.0021008 k( 154) = ( 0.1917173 0.4994096 0.5000000), wk = 0.0021008 k( 155) = ( 0.2044985 0.4993703 0.5000000), wk = 0.0021008 k( 156) = ( 0.2172796 0.4993309 0.5000000), wk = 0.0021008 k( 157) = ( 0.2300608 0.4992915 0.5000000), wk = 0.0021008 k( 158) = ( 0.2428419 0.4992522 0.5000000), wk = 0.0021008 k( 159) = ( 0.2556231 0.4992128 0.5000000), wk = 0.0021008 k( 160) = ( 0.2684042 0.4991735 0.5000000), wk = 0.0021008 k( 161) = ( 0.2811854 0.4991341 0.5000000), wk = 0.0021008 k( 162) = ( 0.2939665 0.4990948 0.5000000), wk = 0.0021008 k( 163) = ( 0.3067477 0.4990554 0.5000000), wk = 0.0021008 k( 164) = ( 0.3195288 0.4990160 0.5000000), wk = 0.0021008 k( 165) = ( 0.3323100 0.4989767 0.5000000), wk = 0.0021008 k( 166) = ( 0.3450912 0.4989373 0.5000000), wk = 0.0021008 k( 167) = ( 0.3578723 0.4988980 0.5000000), wk = 0.0021008 k( 168) = ( 0.3706535 0.4988586 0.5000000), wk = 0.0021008 k( 169) = ( 0.3834346 0.4988192 0.5000000), wk = 0.0021008 k( 170) = ( 0.3962158 0.4987799 0.5000000), wk = 0.0021008 k( 171) = ( 0.4089969 0.4987405 0.5000000), wk = 0.0021008 k( 172) = ( 0.4217781 0.4987012 0.5000000), wk = 0.0021008 k( 173) = ( 0.4345592 0.4986618 0.5000000), wk = 0.0021008 k( 174) = ( 0.4473404 0.4986225 0.5000000), wk = 0.0021008 k( 175) = ( 0.4601215 0.4985831 0.5000000), wk = 0.0021008 k( 176) = ( 0.4729027 0.4985437 0.5000000), wk = 0.0021008 k( 177) = ( 0.4856839 0.4985044 0.5000000), wk = 0.0021008 k( 178) = ( 0.4984650 0.4984650 0.5000000), wk = 0.0021008 k( 179) = ( 0.4984650 0.4984650 0.5000000), wk = 0.0021008 k( 180) = ( 0.4895639 0.4895638 0.5000000), wk = 0.0021008 k( 181) = ( 0.4806627 0.4806627 0.5000000), wk = 0.0021008 k( 182) = ( 0.4717615 0.4717615 0.5000000), wk = 0.0021008 k( 183) = ( 0.4628604 0.4628604 0.5000000), wk = 0.0021008 k( 184) = ( 0.4539592 0.4539592 0.5000000), wk = 0.0021008 k( 185) = ( 0.4450580 0.4450580 0.5000000), wk = 0.0021008 k( 186) = ( 0.4361569 0.4361569 0.5000000), wk = 0.0021008 k( 187) = ( 0.4272557 0.4272557 0.5000000), wk = 0.0021008 k( 188) = ( 0.4183546 0.4183546 0.5000000), wk = 0.0021008 k( 189) = ( 0.4094534 0.4094534 0.5000000), wk = 0.0021008 k( 190) = ( 0.4005522 0.4005522 0.5000000), wk = 0.0021008 k( 191) = ( 0.3916511 0.3916511 0.5000000), wk = 0.0021008 k( 192) = ( 0.3827499 0.3827499 0.5000000), wk = 0.0021008 k( 193) = ( 0.3738488 0.3738488 0.5000000), wk = 0.0021008 k( 194) = ( 0.3649476 0.3649476 0.5000000), wk = 0.0021008 k( 195) = ( 0.3560464 0.3560464 0.5000000), wk = 0.0021008 k( 196) = ( 0.3471453 0.3471453 0.5000000), wk = 0.0021008 k( 197) = ( 0.3382441 0.3382441 0.5000000), wk = 0.0021008 k( 198) = ( 0.3293430 0.3293430 0.5000000), wk = 0.0021008 k( 199) = ( 0.3204418 0.3204418 0.5000000), wk = 0.0021008 k( 200) = ( 0.3115406 0.3115406 0.5000000), wk = 0.0021008 k( 201) = ( 0.3026395 0.3026395 0.5000000), wk = 0.0021008 k( 202) = ( 0.2937383 0.2937383 0.5000000), wk = 0.0021008 k( 203) = ( 0.2848371 0.2848371 0.5000000), wk = 0.0021008 k( 204) = ( 0.2759360 0.2759360 0.5000000), wk = 0.0021008 k( 205) = ( 0.2670348 0.2670348 0.5000000), wk = 0.0021008 k( 206) = ( 0.2581337 0.2581337 0.5000000), wk = 0.0021008 k( 207) = ( 0.2492325 0.2492325 0.5000000), wk = 0.0021008 k( 208) = ( 0.2403313 0.2403313 0.5000000), wk = 0.0021008 k( 209) = ( 0.2314302 0.2314302 0.5000000), wk = 0.0021008 k( 210) = ( 0.2225290 0.2225290 0.5000000), wk = 0.0021008 k( 211) = ( 0.2136279 0.2136279 0.5000000), wk = 0.0021008 k( 212) = ( 0.2047267 0.2047267 0.5000000), wk = 0.0021008 k( 213) = ( 0.1958255 0.1958255 0.5000000), wk = 0.0021008 k( 214) = ( 0.1869244 0.1869244 0.5000000), wk = 0.0021008 k( 215) = ( 0.1780232 0.1780232 0.5000000), wk = 0.0021008 k( 216) = ( 0.1691221 0.1691221 0.5000000), wk = 0.0021008 k( 217) = ( 0.1602209 0.1602209 0.5000000), wk = 0.0021008 k( 218) = ( 0.1513197 0.1513197 0.5000000), wk = 0.0021008 k( 219) = ( 0.1424186 0.1424186 0.5000000), wk = 0.0021008 k( 220) = ( 0.1335174 0.1335174 0.5000000), wk = 0.0021008 k( 221) = ( 0.1246162 0.1246162 0.5000000), wk = 0.0021008 k( 222) = ( 0.1157151 0.1157151 0.5000000), wk = 0.0021008 k( 223) = ( 0.1068139 0.1068139 0.5000000), wk = 0.0021008 k( 224) = ( 0.0979128 0.0979128 0.5000000), wk = 0.0021008 k( 225) = ( 0.0890116 0.0890116 0.5000000), wk = 0.0021008 k( 226) = ( 0.0801104 0.0801104 0.5000000), wk = 0.0021008 k( 227) = ( 0.0712093 0.0712093 0.5000000), wk = 0.0021008 k( 228) = ( 0.0623081 0.0623081 0.5000000), wk = 0.0021008 k( 229) = ( 0.0534070 0.0534070 0.5000000), wk = 0.0021008 k( 230) = ( 0.0445058 0.0445058 0.5000000), wk = 0.0021008 k( 231) = ( 0.0356046 0.0356046 0.5000000), wk = 0.0021008 k( 232) = ( 0.0267035 0.0267035 0.5000000), wk = 0.0021008 k( 233) = ( 0.0178023 0.0178023 0.5000000), wk = 0.0021008 k( 234) = ( 0.0089012 0.0089012 0.5000000), wk = 0.0021008 k( 235) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021008 k( 236) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021008 k( 237) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0021008 k( 238) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0021008 k( 239) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0021008 k( 240) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0021008 k( 241) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0021008 k( 242) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0021008 k( 243) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0021008 k( 244) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0021008 k( 245) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0021008 k( 246) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0021008 k( 247) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0021008 k( 248) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0021008 k( 249) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0021008 k( 250) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0021008 k( 251) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0021008 k( 252) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0021008 k( 253) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0021008 k( 254) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0021008 k( 255) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0021008 k( 256) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0021008 k( 257) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0021008 k( 258) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0021008 k( 259) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0021008 k( 260) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0021008 k( 261) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0021008 k( 262) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0021008 k( 263) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0021008 k( 264) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0021008 k( 265) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0021008 k( 266) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0021008 k( 267) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0021008 k( 268) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0021008 k( 269) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0021008 k( 270) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0021008 k( 271) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0021008 k( 272) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0021008 k( 273) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0021008 k( 274) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0021008 k( 275) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0021008 k( 276) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 277) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 278) = ( -0.0089286 0.0089286 -0.0000000), wk = 0.0021008 k( 279) = ( -0.0178571 0.0178571 -0.0000000), wk = 0.0021008 k( 280) = ( -0.0267857 0.0267857 0.0000000), wk = 0.0021008 k( 281) = ( -0.0357143 0.0357143 -0.0000000), wk = 0.0021008 k( 282) = ( -0.0446429 0.0446429 -0.0000000), wk = 0.0021008 k( 283) = ( -0.0535714 0.0535714 -0.0000000), wk = 0.0021008 k( 284) = ( -0.0625000 0.0625000 -0.0000000), wk = 0.0021008 k( 285) = ( -0.0714286 0.0714286 -0.0000000), wk = 0.0021008 k( 286) = ( -0.0803571 0.0803571 -0.0000000), wk = 0.0021008 k( 287) = ( -0.0892857 0.0892857 -0.0000000), wk = 0.0021008 k( 288) = ( -0.0982143 0.0982143 -0.0000000), wk = 0.0021008 k( 289) = ( -0.1071429 0.1071429 -0.0000000), wk = 0.0021008 k( 290) = ( -0.1160714 0.1160714 -0.0000000), wk = 0.0021008 k( 291) = ( -0.1250000 0.1250000 -0.0000000), wk = 0.0021008 k( 292) = ( -0.1339286 0.1339286 0.0000000), wk = 0.0021008 k( 293) = ( -0.1428571 0.1428571 -0.0000000), wk = 0.0021008 k( 294) = ( -0.1517857 0.1517857 -0.0000000), wk = 0.0021008 k( 295) = ( -0.1607143 0.1607143 -0.0000000), wk = 0.0021008 k( 296) = ( -0.1696429 0.1696429 -0.0000000), wk = 0.0021008 k( 297) = ( -0.1785714 0.1785714 -0.0000000), wk = 0.0021008 k( 298) = ( -0.1875000 0.1875000 -0.0000000), wk = 0.0021008 k( 299) = ( -0.1964286 0.1964286 -0.0000000), wk = 0.0021008 k( 300) = ( -0.2053571 0.2053571 -0.0000000), wk = 0.0021008 k( 301) = ( -0.2142857 0.2142857 -0.0000000), wk = 0.0021008 k( 302) = ( -0.2232143 0.2232143 -0.0000000), wk = 0.0021008 k( 303) = ( -0.2321429 0.2321429 -0.0000000), wk = 0.0021008 k( 304) = ( -0.2410714 0.2410714 -0.0000000), wk = 0.0021008 k( 305) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0021008 k( 306) = ( -0.2589286 0.2589286 -0.0000000), wk = 0.0021008 k( 307) = ( -0.2678571 0.2678571 0.0000000), wk = 0.0021008 k( 308) = ( -0.2767857 0.2767857 -0.0000000), wk = 0.0021008 k( 309) = ( -0.2857143 0.2857143 -0.0000000), wk = 0.0021008 k( 310) = ( -0.2946429 0.2946429 -0.0000000), wk = 0.0021008 k( 311) = ( -0.3035714 0.3035714 -0.0000000), wk = 0.0021008 k( 312) = ( -0.3125000 0.3125000 -0.0000000), wk = 0.0021008 k( 313) = ( -0.3214286 0.3214286 -0.0000000), wk = 0.0021008 k( 314) = ( -0.3303571 0.3303571 -0.0000000), wk = 0.0021008 k( 315) = ( -0.3392857 0.3392857 -0.0000000), wk = 0.0021008 k( 316) = ( -0.3482143 0.3482143 -0.0000000), wk = 0.0021008 k( 317) = ( -0.3571429 0.3571429 -0.0000000), wk = 0.0021008 k( 318) = ( -0.3660714 0.3660714 -0.0000000), wk = 0.0021008 k( 319) = ( -0.3750000 0.3750000 -0.0000000), wk = 0.0021008 k( 320) = ( -0.3839286 0.3839286 -0.0000000), wk = 0.0021008 k( 321) = ( -0.3928571 0.3928571 -0.0000000), wk = 0.0021008 k( 322) = ( -0.4017857 0.4017857 -0.0000000), wk = 0.0021008 k( 323) = ( -0.4107143 0.4107143 -0.0000000), wk = 0.0021008 k( 324) = ( -0.4196429 0.4196429 -0.0000000), wk = 0.0021008 k( 325) = ( -0.4285714 0.4285714 -0.0000000), wk = 0.0021008 k( 326) = ( -0.4375000 0.4375000 -0.0000000), wk = 0.0021008 k( 327) = ( -0.4464286 0.4464286 -0.0000000), wk = 0.0021008 k( 328) = ( -0.4553571 0.4553571 -0.0000000), wk = 0.0021008 k( 329) = ( -0.4642857 0.4642857 -0.0000000), wk = 0.0021008 k( 330) = ( -0.4732143 0.4732143 0.0000000), wk = 0.0021008 k( 331) = ( -0.4821429 0.4821429 -0.0000000), wk = 0.0021008 k( 332) = ( -0.4910714 0.4910714 -0.0000000), wk = 0.0021008 k( 333) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0021008 k( 334) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0021008 k( 335) = ( -0.4984650 0.5015350 0.0000000), wk = 0.0021008 k( 336) = ( -0.4984650 0.5015350 0.0000000), wk = 0.0021008 k( 337) = ( -0.4984650 0.5015350 0.0125000), wk = 0.0021008 k( 338) = ( -0.4984650 0.5015350 0.0250000), wk = 0.0021008 k( 339) = ( -0.4984650 0.5015350 0.0375000), wk = 0.0021008 k( 340) = ( -0.4984650 0.5015350 0.0500000), wk = 0.0021008 k( 341) = ( -0.4984650 0.5015350 0.0625000), wk = 0.0021008 k( 342) = ( -0.4984650 0.5015350 0.0750000), wk = 0.0021008 k( 343) = ( -0.4984650 0.5015350 0.0875000), wk = 0.0021008 k( 344) = ( -0.4984650 0.5015350 0.1000000), wk = 0.0021008 k( 345) = ( -0.4984650 0.5015350 0.1125000), wk = 0.0021008 k( 346) = ( -0.4984650 0.5015350 0.1250000), wk = 0.0021008 k( 347) = ( -0.4984650 0.5015350 0.1375000), wk = 0.0021008 k( 348) = ( -0.4984650 0.5015350 0.1500000), wk = 0.0021008 k( 349) = ( -0.4984650 0.5015350 0.1625000), wk = 0.0021008 k( 350) = ( -0.4984650 0.5015350 0.1750000), wk = 0.0021008 k( 351) = ( -0.4984650 0.5015350 0.1875000), wk = 0.0021008 k( 352) = ( -0.4984650 0.5015350 0.2000000), wk = 0.0021008 k( 353) = ( -0.4984650 0.5015350 0.2125000), wk = 0.0021008 k( 354) = ( -0.4984650 0.5015350 0.2250000), wk = 0.0021008 k( 355) = ( -0.4984650 0.5015350 0.2375000), wk = 0.0021008 k( 356) = ( -0.4984650 0.5015350 0.2500000), wk = 0.0021008 k( 357) = ( -0.4984650 0.5015350 0.2625000), wk = 0.0021008 k( 358) = ( -0.4984650 0.5015350 0.2750000), wk = 0.0021008 k( 359) = ( -0.4984650 0.5015350 0.2875000), wk = 0.0021008 k( 360) = ( -0.4984650 0.5015350 0.3000000), wk = 0.0021008 k( 361) = ( -0.4984650 0.5015350 0.3125000), wk = 0.0021008 k( 362) = ( -0.4984650 0.5015350 0.3250000), wk = 0.0021008 k( 363) = ( -0.4984650 0.5015350 0.3375000), wk = 0.0021008 k( 364) = ( -0.4984650 0.5015350 0.3500000), wk = 0.0021008 k( 365) = ( -0.4984650 0.5015350 0.3625000), wk = 0.0021008 k( 366) = ( -0.4984650 0.5015350 0.3750000), wk = 0.0021008 k( 367) = ( -0.4984650 0.5015350 0.3875000), wk = 0.0021008 k( 368) = ( -0.4984650 0.5015350 0.4000000), wk = 0.0021008 k( 369) = ( -0.4984650 0.5015350 0.4125000), wk = 0.0021008 k( 370) = ( -0.4984650 0.5015350 0.4250000), wk = 0.0021008 k( 371) = ( -0.4984650 0.5015350 0.4375000), wk = 0.0021008 k( 372) = ( -0.4984650 0.5015350 0.4500000), wk = 0.0021008 k( 373) = ( -0.4984650 0.5015350 0.4625000), wk = 0.0021008 k( 374) = ( -0.4984650 0.5015350 0.4750000), wk = 0.0021008 k( 375) = ( -0.4984650 0.5015350 0.4875000), wk = 0.0021008 k( 376) = ( -0.4984650 0.5015350 0.5000000), wk = 0.0021008 k( 377) = ( -0.4984650 0.5015350 0.5000000), wk = 0.0021008 k( 378) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021008 k( 379) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021008 k( 380) = ( -0.5000000 0.5000000 0.4875000), wk = 0.0021008 k( 381) = ( -0.5000000 0.5000000 0.4750000), wk = 0.0021008 k( 382) = ( -0.5000000 0.5000000 0.4625000), wk = 0.0021008 k( 383) = ( -0.5000000 0.5000000 0.4500000), wk = 0.0021008 k( 384) = ( -0.5000000 0.5000000 0.4375000), wk = 0.0021008 k( 385) = ( -0.5000000 0.5000000 0.4250000), wk = 0.0021008 k( 386) = ( -0.5000000 0.5000000 0.4125000), wk = 0.0021008 k( 387) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0021008 k( 388) = ( -0.5000000 0.5000000 0.3875000), wk = 0.0021008 k( 389) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0021008 k( 390) = ( -0.5000000 0.5000000 0.3625000), wk = 0.0021008 k( 391) = ( -0.5000000 0.5000000 0.3500000), wk = 0.0021008 k( 392) = ( -0.5000000 0.5000000 0.3375000), wk = 0.0021008 k( 393) = ( -0.5000000 0.5000000 0.3250000), wk = 0.0021008 k( 394) = ( -0.5000000 0.5000000 0.3125000), wk = 0.0021008 k( 395) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0021008 k( 396) = ( -0.5000000 0.5000000 0.2875000), wk = 0.0021008 k( 397) = ( -0.5000000 0.5000000 0.2750000), wk = 0.0021008 k( 398) = ( -0.5000000 0.5000000 0.2625000), wk = 0.0021008 k( 399) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0021008 k( 400) = ( -0.5000000 0.5000000 0.2375000), wk = 0.0021008 k( 401) = ( -0.5000000 0.5000000 0.2250000), wk = 0.0021008 k( 402) = ( -0.5000000 0.5000000 0.2125000), wk = 0.0021008 k( 403) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0021008 k( 404) = ( -0.5000000 0.5000000 0.1875000), wk = 0.0021008 k( 405) = ( -0.5000000 0.5000000 0.1750000), wk = 0.0021008 k( 406) = ( -0.5000000 0.5000000 0.1625000), wk = 0.0021008 k( 407) = ( -0.5000000 0.5000000 0.1500000), wk = 0.0021008 k( 408) = ( -0.5000000 0.5000000 0.1375000), wk = 0.0021008 k( 409) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0021008 k( 410) = ( -0.5000000 0.5000000 0.1125000), wk = 0.0021008 k( 411) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0021008 k( 412) = ( -0.5000000 0.5000000 0.0875000), wk = 0.0021008 k( 413) = ( -0.5000000 0.5000000 0.0750000), wk = 0.0021008 k( 414) = ( -0.5000000 0.5000000 0.0625000), wk = 0.0021008 k( 415) = ( -0.5000000 0.5000000 0.0500000), wk = 0.0021008 k( 416) = ( -0.5000000 0.5000000 0.0375000), wk = 0.0021008 k( 417) = ( -0.5000000 0.5000000 0.0250000), wk = 0.0021008 k( 418) = ( -0.5000000 0.5000000 0.0125000), wk = 0.0021008 k( 419) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0021008 k( 420) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021008 k( 421) = ( -0.0089286 0.0089286 0.5000000), wk = 0.0021008 k( 422) = ( -0.0178571 0.0178571 0.5000000), wk = 0.0021008 k( 423) = ( -0.0267857 0.0267857 0.5000000), wk = 0.0021008 k( 424) = ( -0.0357143 0.0357143 0.5000000), wk = 0.0021008 k( 425) = ( -0.0446429 0.0446429 0.5000000), wk = 0.0021008 k( 426) = ( -0.0535714 0.0535714 0.5000000), wk = 0.0021008 k( 427) = ( -0.0625000 0.0625000 0.5000000), wk = 0.0021008 k( 428) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0021008 k( 429) = ( -0.0803571 0.0803571 0.5000000), wk = 0.0021008 k( 430) = ( -0.0892857 0.0892857 0.5000000), wk = 0.0021008 k( 431) = ( -0.0982143 0.0982143 0.5000000), wk = 0.0021008 k( 432) = ( -0.1071429 0.1071429 0.5000000), wk = 0.0021008 k( 433) = ( -0.1160714 0.1160714 0.5000000), wk = 0.0021008 k( 434) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0021008 k( 435) = ( -0.1339286 0.1339286 0.5000000), wk = 0.0021008 k( 436) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0021008 k( 437) = ( -0.1517857 0.1517857 0.5000000), wk = 0.0021008 k( 438) = ( -0.1607143 0.1607143 0.5000000), wk = 0.0021008 k( 439) = ( -0.1696429 0.1696429 0.5000000), wk = 0.0021008 k( 440) = ( -0.1785714 0.1785714 0.5000000), wk = 0.0021008 k( 441) = ( -0.1875000 0.1875000 0.5000000), wk = 0.0021008 k( 442) = ( -0.1964286 0.1964286 0.5000000), wk = 0.0021008 k( 443) = ( -0.2053571 0.2053571 0.5000000), wk = 0.0021008 k( 444) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0021008 k( 445) = ( -0.2232143 0.2232143 0.5000000), wk = 0.0021008 k( 446) = ( -0.2321429 0.2321429 0.5000000), wk = 0.0021008 k( 447) = ( -0.2410714 0.2410714 0.5000000), wk = 0.0021008 k( 448) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0021008 k( 449) = ( -0.2589286 0.2589286 0.5000000), wk = 0.0021008 k( 450) = ( -0.2678571 0.2678571 0.5000000), wk = 0.0021008 k( 451) = ( -0.2767857 0.2767857 0.5000000), wk = 0.0021008 k( 452) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0021008 k( 453) = ( -0.2946429 0.2946429 0.5000000), wk = 0.0021008 k( 454) = ( -0.3035714 0.3035714 0.5000000), wk = 0.0021008 k( 455) = ( -0.3125000 0.3125000 0.5000000), wk = 0.0021008 k( 456) = ( -0.3214286 0.3214286 0.5000000), wk = 0.0021008 k( 457) = ( -0.3303571 0.3303571 0.5000000), wk = 0.0021008 k( 458) = ( -0.3392857 0.3392857 0.5000000), wk = 0.0021008 k( 459) = ( -0.3482143 0.3482143 0.5000000), wk = 0.0021008 k( 460) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0021008 k( 461) = ( -0.3660714 0.3660714 0.5000000), wk = 0.0021008 k( 462) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0021008 k( 463) = ( -0.3839286 0.3839286 0.5000000), wk = 0.0021008 k( 464) = ( -0.3928571 0.3928571 0.5000000), wk = 0.0021008 k( 465) = ( -0.4017857 0.4017857 0.5000000), wk = 0.0021008 k( 466) = ( -0.4107143 0.4107143 0.5000000), wk = 0.0021008 k( 467) = ( -0.4196429 0.4196429 0.5000000), wk = 0.0021008 k( 468) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0021008 k( 469) = ( -0.4375000 0.4375000 0.5000000), wk = 0.0021008 k( 470) = ( -0.4464286 0.4464286 0.5000000), wk = 0.0021008 k( 471) = ( -0.4553571 0.4553571 0.5000000), wk = 0.0021008 k( 472) = ( -0.4642857 0.4642857 0.5000000), wk = 0.0021008 k( 473) = ( -0.4732143 0.4732143 0.5000000), wk = 0.0021008 k( 474) = ( -0.4821429 0.4821429 0.5000000), wk = 0.0021008 k( 475) = ( -0.4910714 0.4910714 0.5000000), wk = 0.0021008 k( 476) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021008 Dense grid: 101241 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 22019 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 122, 48) NL pseudopotentials 0.10 Mb ( 61, 111) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2113) G-vector shells 0.01 Mb ( 1017) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.36 Mb ( 122, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.16 Mb ( 111, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./BaTiO3.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 45.9 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 49.3 secs Computing kpt #: 3 total cpu time spent up to now is 51.3 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 54.6 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 57.9 secs Computing kpt #: 6 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 61.3 secs Computing kpt #: 7 total cpu time spent up to now is 64.1 secs Computing kpt #: 8 total cpu time spent up to now is 66.3 secs Computing kpt #: 9 total cpu time spent up to now is 69.2 secs Computing kpt #: 10 total cpu time spent up to now is 71.2 secs Computing kpt #: 11 total cpu time spent up to now is 72.9 secs Computing kpt #: 12 total cpu time spent up to now is 74.6 secs Computing kpt #: 13 total cpu time spent up to now is 76.4 secs Computing kpt #: 14 total cpu time spent up to now is 77.7 secs Computing kpt #: 15 total cpu time spent up to now is 79.3 secs Computing kpt #: 16 total cpu time spent up to now is 81.2 secs Computing kpt #: 17 total cpu time spent up to now is 82.6 secs Computing kpt #: 18 total cpu time spent up to now is 84.1 secs Computing kpt #: 19 total cpu time spent up to now is 85.4 secs Computing kpt #: 20 total cpu time spent up to now is 86.6 secs Computing kpt #: 21 total cpu time spent up to now is 87.9 secs Computing kpt #: 22 total cpu time spent up to now is 89.2 secs Computing kpt #: 23 total cpu time spent up to now is 90.8 secs Computing kpt #: 24 total cpu time spent up to now is 92.1 secs Computing kpt #: 25 total cpu time spent up to now is 93.3 secs Computing kpt #: 26 total cpu time spent up to now is 94.6 secs Computing kpt #: 27 total cpu time spent up to now is 95.8 secs Computing kpt #: 28 total cpu time spent up to now is 97.0 secs Computing kpt #: 29 total cpu time spent up to now is 98.2 secs Computing kpt #: 30 total cpu time spent up to now is 99.7 secs Computing kpt #: 31 total cpu time spent up to now is 101.0 secs Computing kpt #: 32 total cpu time spent up to now is 102.2 secs Computing kpt #: 33 total cpu time spent up to now is 103.5 secs Computing kpt #: 34 total cpu time spent up to now is 104.6 secs Computing kpt #: 35 total cpu time spent up to now is 105.8 secs Computing kpt #: 36 total cpu time spent up to now is 107.1 secs Computing kpt #: 37 total cpu time spent up to now is 108.2 secs Computing kpt #: 38 total cpu time spent up to now is 109.4 secs Computing kpt #: 39 total cpu time spent up to now is 110.6 secs Computing kpt #: 40 total cpu time spent up to now is 111.7 secs Computing kpt #: 41 total cpu time spent up to now is 113.0 secs Computing kpt #: 42 total cpu time spent up to now is 114.3 secs Computing kpt #: 43 total cpu time spent up to now is 115.5 secs Computing kpt #: 44 total cpu time spent up to now is 116.7 secs Computing kpt #: 45 total cpu time spent up to now is 118.1 secs Computing kpt #: 46 total cpu time spent up to now is 119.4 secs Computing kpt #: 47 total cpu time spent up to now is 120.5 secs Computing kpt #: 48 total cpu time spent up to now is 121.6 secs Computing kpt #: 49 total cpu time spent up to now is 122.8 secs Computing kpt #: 50 total cpu time spent up to now is 123.8 secs Computing kpt #: 51 total cpu time spent up to now is 124.9 secs Computing kpt #: 52 total cpu time spent up to now is 126.0 secs Computing kpt #: 53 total cpu time spent up to now is 127.0 secs Computing kpt #: 54 total cpu time spent up to now is 128.0 secs Computing kpt #: 55 total cpu time spent up to now is 129.2 secs Computing kpt #: 56 total cpu time spent up to now is 130.4 secs Computing kpt #: 57 total cpu time spent up to now is 131.4 secs Computing kpt #: 58 total cpu time spent up to now is 132.5 secs Computing kpt #: 59 total cpu time spent up to now is 133.5 secs Computing kpt #: 60 total cpu time spent up to now is 134.6 secs Computing kpt #: 61 total cpu time spent up to now is 135.6 secs Computing kpt #: 62 total cpu time spent up to now is 136.6 secs Computing kpt #: 63 total cpu time spent up to now is 137.8 secs Computing kpt #: 64 total cpu time spent up to now is 138.7 secs Computing kpt #: 65 total cpu time spent up to now is 139.7 secs Computing kpt #: 66 total cpu time spent up to now is 140.9 secs Computing kpt #: 67 total cpu time spent up to now is 142.0 secs Computing kpt #: 68 total cpu time spent up to now is 143.1 secs Computing kpt #: 69 total cpu time spent up to now is 144.3 secs Computing kpt #: 70 total cpu time spent up to now is 145.4 secs Computing kpt #: 71 total cpu time spent up to now is 146.6 secs Computing kpt #: 72 total cpu time spent up to now is 147.8 secs Computing kpt #: 73 total cpu time spent up to now is 149.2 secs Computing kpt #: 74 total cpu time spent up to now is 150.3 secs Computing kpt #: 75 total cpu time spent up to now is 151.7 secs Computing kpt #: 76 total cpu time spent up to now is 152.8 secs Computing kpt #: 77 total cpu time spent up to now is 154.0 secs Computing kpt #: 78 total cpu time spent up to now is 155.2 secs Computing kpt #: 79 total cpu time spent up to now is 156.4 secs Computing kpt #: 80 total cpu time spent up to now is 157.6 secs Computing kpt #: 81 total cpu time spent up to now is 158.7 secs Computing kpt #: 82 total cpu time spent up to now is 160.1 secs Computing kpt #: 83 total cpu time spent up to now is 161.3 secs Computing kpt #: 84 total cpu time spent up to now is 162.5 secs Computing kpt #: 85 total cpu time spent up to now is 163.7 secs Computing kpt #: 86 total cpu time spent up to now is 164.9 secs Computing kpt #: 87 total cpu time spent up to now is 166.1 secs Computing kpt #: 88 total cpu time spent up to now is 167.4 secs Computing kpt #: 89 total cpu time spent up to now is 168.7 secs Computing kpt #: 90 total cpu time spent up to now is 169.9 secs Computing kpt #: 91 total cpu time spent up to now is 171.3 secs Computing kpt #: 92 total cpu time spent up to now is 172.6 secs Computing kpt #: 93 total cpu time spent up to now is 173.9 secs Computing kpt #: 94 total cpu time spent up to now is 175.0 secs Computing kpt #: 95 total cpu time spent up to now is 176.2 secs Computing kpt #: 96 total cpu time spent up to now is 177.5 secs Computing kpt #: 97 total cpu time spent up to now is 178.8 secs Computing kpt #: 98 total cpu time spent up to now is 180.1 secs Computing kpt #: 99 total cpu time spent up to now is 181.3 secs Computing kpt #: 100 total cpu time spent up to now is 182.6 secs Computing kpt #: 101 total cpu time spent up to now is 183.9 secs Computing kpt #: 102 total cpu time spent up to now is 185.2 secs Computing kpt #: 103 total cpu time spent up to now is 186.4 secs Computing kpt #: 104 total cpu time spent up to now is 187.7 secs Computing kpt #: 105 total cpu time spent up to now is 189.0 secs Computing kpt #: 106 total cpu time spent up to now is 190.2 secs Computing kpt #: 107 total cpu time spent up to now is 191.4 secs Computing kpt #: 108 total cpu time spent up to now is 192.6 secs Computing kpt #: 109 total cpu time spent up to now is 193.8 secs Computing kpt #: 110 total cpu time spent up to now is 195.0 secs Computing kpt #: 111 total cpu time spent up to now is 196.2 secs Computing kpt #: 112 total cpu time spent up to now is 197.4 secs Computing kpt #: 113 total cpu time spent up to now is 198.7 secs Computing kpt #: 114 total cpu time spent up to now is 200.0 secs Computing kpt #: 115 total cpu time spent up to now is 201.2 secs Computing kpt #: 116 total cpu time spent up to now is 202.4 secs Computing kpt #: 117 total cpu time spent up to now is 203.6 secs Computing kpt #: 118 total cpu time spent up to now is 204.8 secs Computing kpt #: 119 total cpu time spent up to now is 206.0 secs Computing kpt #: 120 total cpu time spent up to now is 207.1 secs Computing kpt #: 121 total cpu time spent up to now is 208.4 secs Computing kpt #: 122 total cpu time spent up to now is 209.6 secs Computing kpt #: 123 total cpu time spent up to now is 210.7 secs Computing kpt #: 124 total cpu time spent up to now is 211.9 secs Computing kpt #: 125 total cpu time spent up to now is 213.0 secs Computing kpt #: 126 total cpu time spent up to now is 214.2 secs Computing kpt #: 127 total cpu time spent up to now is 215.3 secs Computing kpt #: 128 total cpu time spent up to now is 216.4 secs Computing kpt #: 129 total cpu time spent up to now is 217.6 secs Computing kpt #: 130 total cpu time spent up to now is 218.7 secs Computing kpt #: 131 total cpu time spent up to now is 219.6 secs Computing kpt #: 132 total cpu time spent up to now is 220.6 secs Computing kpt #: 133 total cpu time spent up to now is 221.7 secs Computing kpt #: 134 total cpu time spent up to now is 222.7 secs Computing kpt #: 135 total cpu time spent up to now is 223.8 secs Computing kpt #: 136 total cpu time spent up to now is 224.8 secs Computing kpt #: 137 total cpu time spent up to now is 225.8 secs Computing kpt #: 138 total cpu time spent up to now is 226.9 secs Computing kpt #: 139 total cpu time spent up to now is 227.9 secs Computing kpt #: 140 total cpu time spent up to now is 229.0 secs Computing kpt #: 141 total cpu time spent up to now is 230.0 secs Computing kpt #: 142 total cpu time spent up to now is 231.0 secs Computing kpt #: 143 total cpu time spent up to now is 232.0 secs Computing kpt #: 144 total cpu time spent up to now is 233.1 secs Computing kpt #: 145 total cpu time spent up to now is 234.2 secs Computing kpt #: 146 total cpu time spent up to now is 235.3 secs Computing kpt #: 147 total cpu time spent up to now is 236.4 secs Computing kpt #: 148 total cpu time spent up to now is 237.6 secs Computing kpt #: 149 total cpu time spent up to now is 238.7 secs Computing kpt #: 150 total cpu time spent up to now is 239.9 secs Computing kpt #: 151 total cpu time spent up to now is 240.9 secs Computing kpt #: 152 total cpu time spent up to now is 242.2 secs Computing kpt #: 153 total cpu time spent up to now is 243.7 secs Computing kpt #: 154 total cpu time spent up to now is 245.2 secs Computing kpt #: 155 total cpu time spent up to now is 246.7 secs Computing kpt #: 156 total cpu time spent up to now is 248.2 secs Computing kpt #: 157 total cpu time spent up to now is 249.8 secs Computing kpt #: 158 total cpu time spent up to now is 251.3 secs Computing kpt #: 159 total cpu time spent up to now is 252.9 secs Computing kpt #: 160 total cpu time spent up to now is 254.6 secs Computing kpt #: 161 total cpu time spent up to now is 256.2 secs Computing kpt #: 162 total cpu time spent up to now is 258.0 secs Computing kpt #: 163 total cpu time spent up to now is 259.9 secs Computing kpt #: 164 total cpu time spent up to now is 261.8 secs Computing kpt #: 165 total cpu time spent up to now is 263.6 secs Computing kpt #: 166 total cpu time spent up to now is 265.6 secs Computing kpt #: 167 total cpu time spent up to now is 267.5 secs Computing kpt #: 168 total cpu time spent up to now is 269.4 secs Computing kpt #: 169 total cpu time spent up to now is 271.5 secs Computing kpt #: 170 total cpu time spent up to now is 273.6 secs Computing kpt #: 171 total cpu time spent up to now is 275.8 secs Computing kpt #: 172 total cpu time spent up to now is 277.9 secs Computing kpt #: 173 total cpu time spent up to now is 280.1 secs Computing kpt #: 174 total cpu time spent up to now is 282.6 secs Computing kpt #: 175 total cpu time spent up to now is 285.0 secs Computing kpt #: 176 total cpu time spent up to now is 287.5 secs Computing kpt #: 177 total cpu time spent up to now is 289.9 secs Computing kpt #: 178 total cpu time spent up to now is 292.4 secs Computing kpt #: 179 total cpu time spent up to now is 294.8 secs Computing kpt #: 180 total cpu time spent up to now is 297.7 secs Computing kpt #: 181 total cpu time spent up to now is 301.0 secs Computing kpt #: 182 total cpu time spent up to now is 304.1 secs Computing kpt #: 183 total cpu time spent up to now is 306.5 secs Computing kpt #: 184 total cpu time spent up to now is 309.0 secs Computing kpt #: 185 total cpu time spent up to now is 311.3 secs Computing kpt #: 186 total cpu time spent up to now is 313.7 secs Computing kpt #: 187 total cpu time spent up to now is 316.1 secs Computing kpt #: 188 total cpu time spent up to now is 318.5 secs Computing kpt #: 189 total cpu time spent up to now is 320.6 secs Computing kpt #: 190 total cpu time spent up to now is 323.0 secs Computing kpt #: 191 total cpu time spent up to now is 325.2 secs Computing kpt #: 192 total cpu time spent up to now is 327.4 secs Computing kpt #: 193 total cpu time spent up to now is 329.6 secs Computing kpt #: 194 total cpu time spent up to now is 332.0 secs Computing kpt #: 195 total cpu time spent up to now is 334.0 secs Computing kpt #: 196 total cpu time spent up to now is 335.9 secs Computing kpt #: 197 total cpu time spent up to now is 337.7 secs Computing kpt #: 198 total cpu time spent up to now is 339.7 secs Computing kpt #: 199 total cpu time spent up to now is 341.8 secs Computing kpt #: 200 total cpu time spent up to now is 343.5 secs Computing kpt #: 201 total cpu time spent up to now is 345.2 secs Computing kpt #: 202 total cpu time spent up to now is 346.9 secs Computing kpt #: 203 total cpu time spent up to now is 348.6 secs Computing kpt #: 204 total cpu time spent up to now is 350.2 secs Computing kpt #: 205 total cpu time spent up to now is 351.8 secs Computing kpt #: 206 total cpu time spent up to now is 353.4 secs Computing kpt #: 207 total cpu time spent up to now is 354.8 secs Computing kpt #: 208 total cpu time spent up to now is 356.3 secs Computing kpt #: 209 total cpu time spent up to now is 357.6 secs Computing kpt #: 210 total cpu time spent up to now is 359.0 secs Computing kpt #: 211 total cpu time spent up to now is 360.2 secs Computing kpt #: 212 total cpu time spent up to now is 361.5 secs Computing kpt #: 213 total cpu time spent up to now is 362.7 secs Computing kpt #: 214 total cpu time spent up to now is 364.0 secs Computing kpt #: 215 total cpu time spent up to now is 365.2 secs Computing kpt #: 216 total cpu time spent up to now is 366.4 secs Computing kpt #: 217 total cpu time spent up to now is 367.7 secs Computing kpt #: 218 total cpu time spent up to now is 368.9 secs Computing kpt #: 219 total cpu time spent up to now is 370.2 secs Computing kpt #: 220 total cpu time spent up to now is 371.4 secs Computing kpt #: 221 total cpu time spent up to now is 372.6 secs Computing kpt #: 222 total cpu time spent up to now is 373.8 secs Computing kpt #: 223 total cpu time spent up to now is 375.2 secs Computing kpt #: 224 total cpu time spent up to now is 376.6 secs Computing kpt #: 225 total cpu time spent up to now is 377.9 secs Computing kpt #: 226 total cpu time spent up to now is 379.1 secs Computing kpt #: 227 total cpu time spent up to now is 380.2 secs Computing kpt #: 228 total cpu time spent up to now is 381.6 secs Computing kpt #: 229 total cpu time spent up to now is 382.8 secs Computing kpt #: 230 total cpu time spent up to now is 384.0 secs Computing kpt #: 231 total cpu time spent up to now is 385.1 secs Computing kpt #: 232 total cpu time spent up to now is 386.4 secs Computing kpt #: 233 total cpu time spent up to now is 387.6 secs Computing kpt #: 234 total cpu time spent up to now is 388.8 secs Computing kpt #: 235 total cpu time spent up to now is 390.1 secs Computing kpt #: 236 total cpu time spent up to now is 391.3 secs Computing kpt #: 237 total cpu time spent up to now is 392.5 secs Computing kpt #: 238 total cpu time spent up to now is 393.7 secs Computing kpt #: 239 total cpu time spent up to now is 394.8 secs Computing kpt #: 240 total cpu time spent up to now is 396.1 secs Computing kpt #: 241 total cpu time spent up to now is 397.3 secs Computing kpt #: 242 total cpu time spent up to now is 398.5 secs Computing kpt #: 243 total cpu time spent up to now is 399.8 secs Computing kpt #: 244 total cpu time spent up to now is 401.1 secs Computing kpt #: 245 total cpu time spent up to now is 402.3 secs Computing kpt #: 246 total cpu time spent up to now is 403.5 secs Computing kpt #: 247 total cpu time spent up to now is 404.7 secs Computing kpt #: 248 total cpu time spent up to now is 405.9 secs Computing kpt #: 249 total cpu time spent up to now is 407.2 secs Computing kpt #: 250 total cpu time spent up to now is 408.4 secs Computing kpt #: 251 total cpu time spent up to now is 409.8 secs Computing kpt #: 252 total cpu time spent up to now is 411.1 secs Computing kpt #: 253 total cpu time spent up to now is 412.4 secs Computing kpt #: 254 total cpu time spent up to now is 413.7 secs Computing kpt #: 255 total cpu time spent up to now is 414.9 secs Computing kpt #: 256 total cpu time spent up to now is 416.4 secs Computing kpt #: 257 total cpu time spent up to now is 417.6 secs Computing kpt #: 258 total cpu time spent up to now is 418.9 secs Computing kpt #: 259 total cpu time spent up to now is 420.1 secs Computing kpt #: 260 total cpu time spent up to now is 421.4 secs Computing kpt #: 261 total cpu time spent up to now is 423.0 secs Computing kpt #: 262 total cpu time spent up to now is 424.3 secs Computing kpt #: 263 total cpu time spent up to now is 425.6 secs Computing kpt #: 264 total cpu time spent up to now is 426.9 secs Computing kpt #: 265 total cpu time spent up to now is 428.6 secs Computing kpt #: 266 total cpu time spent up to now is 429.9 secs Computing kpt #: 267 total cpu time spent up to now is 431.8 secs Computing kpt #: 268 total cpu time spent up to now is 433.6 secs Computing kpt #: 269 total cpu time spent up to now is 435.5 secs Computing kpt #: 270 total cpu time spent up to now is 437.4 secs Computing kpt #: 271 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 440.6 secs Computing kpt #: 272 total cpu time spent up to now is 442.7 secs Computing kpt #: 273 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 446.1 secs Computing kpt #: 274 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 449.5 secs Computing kpt #: 275 total cpu time spent up to now is 451.5 secs Computing kpt #: 276 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 454.6 secs Computing kpt #: 277 total cpu time spent up to now is 456.6 secs Computing kpt #: 278 total cpu time spent up to now is 458.6 secs Computing kpt #: 279 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 461.8 secs Computing kpt #: 280 total cpu time spent up to now is 463.9 secs Computing kpt #: 281 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 467.1 secs Computing kpt #: 282 total cpu time spent up to now is 469.0 secs Computing kpt #: 283 total cpu time spent up to now is 470.8 secs Computing kpt #: 284 total cpu time spent up to now is 472.6 secs Computing kpt #: 285 total cpu time spent up to now is 474.4 secs Computing kpt #: 286 total cpu time spent up to now is 477.0 secs Computing kpt #: 287 total cpu time spent up to now is 479.0 secs Computing kpt #: 288 total cpu time spent up to now is 480.6 secs Computing kpt #: 289 total cpu time spent up to now is 482.7 secs Computing kpt #: 290 total cpu time spent up to now is 484.5 secs Computing kpt #: 291 total cpu time spent up to now is 485.8 secs Computing kpt #: 292 total cpu time spent up to now is 487.2 secs Computing kpt #: 293 total cpu time spent up to now is 488.5 secs Computing kpt #: 294 total cpu time spent up to now is 489.7 secs Computing kpt #: 295 total cpu time spent up to now is 491.0 secs Computing kpt #: 296 total cpu time spent up to now is 492.3 secs Computing kpt #: 297 total cpu time spent up to now is 493.6 secs Computing kpt #: 298 total cpu time spent up to now is 494.8 secs Computing kpt #: 299 total cpu time spent up to now is 496.2 secs Computing kpt #: 300 total cpu time spent up to now is 497.4 secs Computing kpt #: 301 total cpu time spent up to now is 498.7 secs Computing kpt #: 302 total cpu time spent up to now is 499.9 secs Computing kpt #: 303 total cpu time spent up to now is 501.0 secs Computing kpt #: 304 total cpu time spent up to now is 502.3 secs Computing kpt #: 305 total cpu time spent up to now is 503.6 secs Computing kpt #: 306 total cpu time spent up to now is 504.8 secs Computing kpt #: 307 total cpu time spent up to now is 505.9 secs Computing kpt #: 308 total cpu time spent up to now is 507.1 secs Computing kpt #: 309 total cpu time spent up to now is 508.6 secs Computing kpt #: 310 total cpu time spent up to now is 509.8 secs Computing kpt #: 311 total cpu time spent up to now is 511.0 secs Computing kpt #: 312 total cpu time spent up to now is 512.1 secs Computing kpt #: 313 total cpu time spent up to now is 513.4 secs Computing kpt #: 314 total cpu time spent up to now is 514.7 secs Computing kpt #: 315 total cpu time spent up to now is 516.0 secs Computing kpt #: 316 total cpu time spent up to now is 517.2 secs Computing kpt #: 317 total cpu time spent up to now is 518.4 secs Computing kpt #: 318 total cpu time spent up to now is 519.5 secs Computing kpt #: 319 total cpu time spent up to now is 520.9 secs Computing kpt #: 320 total cpu time spent up to now is 522.1 secs Computing kpt #: 321 total cpu time spent up to now is 523.2 secs Computing kpt #: 322 total cpu time spent up to now is 524.2 secs Computing kpt #: 323 total cpu time spent up to now is 525.3 secs Computing kpt #: 324 total cpu time spent up to now is 526.4 secs Computing kpt #: 325 total cpu time spent up to now is 527.4 secs Computing kpt #: 326 total cpu time spent up to now is 528.5 secs Computing kpt #: 327 total cpu time spent up to now is 529.5 secs Computing kpt #: 328 total cpu time spent up to now is 530.5 secs Computing kpt #: 329 total cpu time spent up to now is 531.5 secs Computing kpt #: 330 total cpu time spent up to now is 532.6 secs Computing kpt #: 331 total cpu time spent up to now is 533.7 secs Computing kpt #: 332 total cpu time spent up to now is 534.6 secs Computing kpt #: 333 total cpu time spent up to now is 535.7 secs Computing kpt #: 334 total cpu time spent up to now is 536.7 secs Computing kpt #: 335 total cpu time spent up to now is 537.8 secs Computing kpt #: 336 total cpu time spent up to now is 538.9 secs Computing kpt #: 337 total cpu time spent up to now is 539.9 secs Computing kpt #: 338 total cpu time spent up to now is 540.9 secs Computing kpt #: 339 total cpu time spent up to now is 542.0 secs Computing kpt #: 340 total cpu time spent up to now is 543.0 secs Computing kpt #: 341 total cpu time spent up to now is 544.2 secs Computing kpt #: 342 total cpu time spent up to now is 545.3 secs Computing kpt #: 343 total cpu time spent up to now is 546.5 secs Computing kpt #: 344 total cpu time spent up to now is 547.5 secs Computing kpt #: 345 total cpu time spent up to now is 548.7 secs Computing kpt #: 346 total cpu time spent up to now is 550.1 secs Computing kpt #: 347 total cpu time spent up to now is 551.4 secs Computing kpt #: 348 total cpu time spent up to now is 552.7 secs Computing kpt #: 349 total cpu time spent up to now is 554.2 secs Computing kpt #: 350 total cpu time spent up to now is 555.7 secs Computing kpt #: 351 total cpu time spent up to now is 557.1 secs Computing kpt #: 352 total cpu time spent up to now is 558.5 secs Computing kpt #: 353 total cpu time spent up to now is 560.1 secs Computing kpt #: 354 total cpu time spent up to now is 561.5 secs Computing kpt #: 355 total cpu time spent up to now is 563.1 secs Computing kpt #: 356 total cpu time spent up to now is 564.8 secs Computing kpt #: 357 total cpu time spent up to now is 566.7 secs Computing kpt #: 358 total cpu time spent up to now is 568.7 secs Computing kpt #: 359 total cpu time spent up to now is 570.7 secs Computing kpt #: 360 total cpu time spent up to now is 572.7 secs Computing kpt #: 361 total cpu time spent up to now is 574.7 secs Computing kpt #: 362 total cpu time spent up to now is 576.8 secs Computing kpt #: 363 total cpu time spent up to now is 578.9 secs Computing kpt #: 364 total cpu time spent up to now is 581.3 secs Computing kpt #: 365 total cpu time spent up to now is 583.7 secs Computing kpt #: 366 total cpu time spent up to now is 586.3 secs Computing kpt #: 367 total cpu time spent up to now is 589.4 secs Computing kpt #: 368 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 592.5 secs Computing kpt #: 369 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 595.7 secs Computing kpt #: 370 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 599.4 secs Computing kpt #: 371 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 602.7 secs Computing kpt #: 372 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 605.8 secs Computing kpt #: 373 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 609.0 secs Computing kpt #: 374 total cpu time spent up to now is 612.1 secs Computing kpt #: 375 total cpu time spent up to now is 614.5 secs Computing kpt #: 376 total cpu time spent up to now is 616.7 secs Computing kpt #: 377 total cpu time spent up to now is 619.6 secs Computing kpt #: 378 total cpu time spent up to now is 621.8 secs Computing kpt #: 379 total cpu time spent up to now is 624.6 secs Computing kpt #: 380 total cpu time spent up to now is 627.5 secs Computing kpt #: 381 total cpu time spent up to now is 630.5 secs Computing kpt #: 382 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 633.7 secs Computing kpt #: 383 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 636.8 secs Computing kpt #: 384 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 640.0 secs Computing kpt #: 385 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 643.2 secs Computing kpt #: 386 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 646.3 secs Computing kpt #: 387 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 649.5 secs Computing kpt #: 388 total cpu time spent up to now is 652.5 secs Computing kpt #: 389 total cpu time spent up to now is 655.3 secs Computing kpt #: 390 total cpu time spent up to now is 657.7 secs Computing kpt #: 391 total cpu time spent up to now is 660.0 secs Computing kpt #: 392 total cpu time spent up to now is 662.2 secs Computing kpt #: 393 total cpu time spent up to now is 664.2 secs Computing kpt #: 394 total cpu time spent up to now is 666.3 secs Computing kpt #: 395 total cpu time spent up to now is 668.1 secs Computing kpt #: 396 total cpu time spent up to now is 670.1 secs Computing kpt #: 397 total cpu time spent up to now is 672.1 secs Computing kpt #: 398 total cpu time spent up to now is 673.8 secs Computing kpt #: 399 total cpu time spent up to now is 675.6 secs Computing kpt #: 400 total cpu time spent up to now is 677.1 secs Computing kpt #: 401 total cpu time spent up to now is 678.7 secs Computing kpt #: 402 total cpu time spent up to now is 680.1 secs Computing kpt #: 403 total cpu time spent up to now is 681.4 secs Computing kpt #: 404 total cpu time spent up to now is 682.6 secs Computing kpt #: 405 total cpu time spent up to now is 684.0 secs Computing kpt #: 406 total cpu time spent up to now is 685.3 secs Computing kpt #: 407 total cpu time spent up to now is 686.7 secs Computing kpt #: 408 total cpu time spent up to now is 687.9 secs Computing kpt #: 409 total cpu time spent up to now is 689.1 secs Computing kpt #: 410 total cpu time spent up to now is 690.3 secs Computing kpt #: 411 total cpu time spent up to now is 691.5 secs Computing kpt #: 412 total cpu time spent up to now is 692.6 secs Computing kpt #: 413 total cpu time spent up to now is 693.7 secs Computing kpt #: 414 total cpu time spent up to now is 694.8 secs Computing kpt #: 415 total cpu time spent up to now is 695.9 secs Computing kpt #: 416 total cpu time spent up to now is 697.0 secs Computing kpt #: 417 total cpu time spent up to now is 698.1 secs Computing kpt #: 418 total cpu time spent up to now is 699.1 secs Computing kpt #: 419 total cpu time spent up to now is 700.2 secs Computing kpt #: 420 total cpu time spent up to now is 701.3 secs Computing kpt #: 421 total cpu time spent up to now is 702.6 secs Computing kpt #: 422 total cpu time spent up to now is 703.7 secs Computing kpt #: 423 total cpu time spent up to now is 704.9 secs Computing kpt #: 424 total cpu time spent up to now is 706.1 secs Computing kpt #: 425 total cpu time spent up to now is 707.4 secs Computing kpt #: 426 total cpu time spent up to now is 708.6 secs Computing kpt #: 427 total cpu time spent up to now is 709.8 secs Computing kpt #: 428 total cpu time spent up to now is 710.9 secs Computing kpt #: 429 total cpu time spent up to now is 712.3 secs Computing kpt #: 430 total cpu time spent up to now is 713.5 secs Computing kpt #: 431 total cpu time spent up to now is 714.7 secs Computing kpt #: 432 total cpu time spent up to now is 715.9 secs Computing kpt #: 433 total cpu time spent up to now is 717.0 secs Computing kpt #: 434 total cpu time spent up to now is 718.5 secs Computing kpt #: 435 total cpu time spent up to now is 719.8 secs Computing kpt #: 436 total cpu time spent up to now is 721.0 secs Computing kpt #: 437 total cpu time spent up to now is 722.1 secs Computing kpt #: 438 total cpu time spent up to now is 723.3 secs Computing kpt #: 439 total cpu time spent up to now is 724.5 secs Computing kpt #: 440 total cpu time spent up to now is 725.7 secs Computing kpt #: 441 total cpu time spent up to now is 727.1 secs Computing kpt #: 442 total cpu time spent up to now is 728.2 secs Computing kpt #: 443 total cpu time spent up to now is 729.4 secs Computing kpt #: 444 total cpu time spent up to now is 730.6 secs Computing kpt #: 445 total cpu time spent up to now is 731.8 secs Computing kpt #: 446 total cpu time spent up to now is 733.1 secs Computing kpt #: 447 total cpu time spent up to now is 734.6 secs Computing kpt #: 448 total cpu time spent up to now is 735.8 secs Computing kpt #: 449 total cpu time spent up to now is 737.4 secs Computing kpt #: 450 total cpu time spent up to now is 738.6 secs Computing kpt #: 451 total cpu time spent up to now is 740.0 secs Computing kpt #: 452 total cpu time spent up to now is 741.3 secs Computing kpt #: 453 total cpu time spent up to now is 742.9 secs Computing kpt #: 454 total cpu time spent up to now is 744.4 secs Computing kpt #: 455 total cpu time spent up to now is 745.9 secs Computing kpt #: 456 total cpu time spent up to now is 747.6 secs Computing kpt #: 457 total cpu time spent up to now is 749.4 secs Computing kpt #: 458 total cpu time spent up to now is 751.1 secs Computing kpt #: 459 total cpu time spent up to now is 752.9 secs Computing kpt #: 460 total cpu time spent up to now is 754.7 secs Computing kpt #: 461 total cpu time spent up to now is 756.7 secs Computing kpt #: 462 total cpu time spent up to now is 758.8 secs Computing kpt #: 463 total cpu time spent up to now is 760.9 secs Computing kpt #: 464 total cpu time spent up to now is 763.0 secs Computing kpt #: 465 total cpu time spent up to now is 765.2 secs Computing kpt #: 466 total cpu time spent up to now is 767.4 secs Computing kpt #: 467 total cpu time spent up to now is 769.5 secs Computing kpt #: 468 total cpu time spent up to now is 771.6 secs Computing kpt #: 469 total cpu time spent up to now is 773.9 secs Computing kpt #: 470 total cpu time spent up to now is 776.6 secs Computing kpt #: 471 total cpu time spent up to now is 779.1 secs Computing kpt #: 472 total cpu time spent up to now is 781.5 secs Computing kpt #: 473 total cpu time spent up to now is 783.9 secs Computing kpt #: 474 total cpu time spent up to now is 786.5 secs Computing kpt #: 475 total cpu time spent up to now is 788.9 secs Computing kpt #: 476 total cpu time spent up to now is 791.6 secs ethr = 2.50E-11, avg # of iterations = 41.4 total cpu time spent up to now is 791.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2781 PWs) bands (ev): -46.0885 -46.0885 -22.7853 -22.7853 -22.1401 -22.1401 -22.1160 -22.1160 -14.4218 -14.4218 -6.5293 -6.5293 -5.8869 -5.8869 -5.8412 -5.8412 -0.9601 -0.9601 0.9506 0.9506 0.9599 0.9599 7.9276 7.9276 8.1367 8.1367 8.1562 8.1562 9.0368 9.0368 9.0607 9.0607 9.2087 9.2087 9.8907 9.8907 10.0019 10.0019 10.0549 10.0549 12.3903 12.3903 12.5036 12.5036 12.6061 12.6061 14.5531 14.5531 k = 0.0089 0.0089-0.0000 ( 2777 PWs) bands (ev): -46.0884 -46.0884 -22.7854 -22.7853 -22.1402 -22.1401 -22.1160 -22.1160 -14.4216 -14.4216 -6.5295 -6.5292 -5.8871 -5.8865 -5.8413 -5.8411 -0.9598 -0.9597 0.9506 0.9514 0.9601 0.9603 7.9243 7.9285 8.1320 8.1377 8.1545 8.1563 9.0345 9.0362 9.0585 9.0595 9.2056 9.2077 9.8794 9.8986 9.9965 10.0015 10.0477 10.0625 12.3908 12.3922 12.5047 12.5062 12.6065 12.6086 14.5542 14.5545 k = 0.0178 0.0179-0.0000 ( 2775 PWs) bands (ev): -46.0884 -46.0884 -22.7855 -22.7853 -22.1404 -22.1402 -22.1160 -22.1160 -14.4211 -14.4211 -6.5297 -6.5290 -5.8873 -5.8862 -5.8413 -5.8409 -0.9587 -0.9587 0.9515 0.9531 0.9611 0.9616 7.9187 7.9271 8.1238 8.1349 8.1514 8.1548 9.0289 9.0323 9.0531 9.0551 9.1987 9.2030 9.8648 9.9033 9.9838 9.9970 10.0422 10.0688 12.3938 12.3965 12.5096 12.5125 12.6099 12.6140 14.5577 14.5582 k = 0.0267 0.0268-0.0000 ( 2773 PWs) bands (ev): -46.0884 -46.0884 -22.7856 -22.7854 -22.1406 -22.1403 -22.1161 -22.1160 -14.4202 -14.4202 -6.5299 -6.5289 -5.8875 -5.8857 -5.8412 -5.8406 -0.9569 -0.9569 0.9530 0.9551 0.9634 0.9639 7.9105 7.9233 8.1119 8.1284 8.1470 8.1517 9.0197 9.0247 9.0444 9.0474 9.1889 9.1952 9.8467 9.9048 9.9644 9.9898 10.0379 10.0726 12.3992 12.4032 12.5181 12.5223 12.6163 12.6223 14.5636 14.5643 k = 0.0356 0.0357-0.0000 ( 2765 PWs) bands (ev): -46.0884 -46.0884 -22.7858 -22.7855 -22.1409 -22.1405 -22.1161 -22.1160 -14.4190 -14.4189 -6.5302 -6.5289 -5.8876 -5.8852 -5.8411 -5.8403 -0.9545 -0.9544 0.9547 0.9570 0.9674 0.9676 7.8997 7.9170 8.0966 8.1184 8.1414 8.1471 9.0059 9.0128 9.0325 9.0363 9.1774 9.1855 9.8252 9.9031 9.9396 9.9803 10.0334 10.0735 12.4072 12.4123 12.5302 12.5356 12.6257 12.6335 14.5718 14.5727 k = 0.0445 0.0446-0.0000 ( 2765 PWs) bands (ev): -46.0884 -46.0884 -22.7860 -22.7857 -22.1413 -22.1408 -22.1163 -22.1161 -14.4174 -14.4174 -6.5305 -6.5288 -5.8876 -5.8847 -5.8409 -5.8399 -0.9514 -0.9513 0.9563 0.9587 0.9728 0.9731 7.8860 7.9079 8.0781 8.1051 8.1344 8.1411 8.9870 8.9959 9.0176 9.0217 9.1659 9.1754 9.8002 9.8973 9.9114 9.9689 10.0278 10.0711 12.4177 12.4238 12.5457 12.5521 12.6382 12.6478 14.5822 14.5833 k = 0.0534 0.0536-0.0000 ( 2765 PWs) bands (ev): -46.0884 -46.0884 -22.7863 -22.7859 -22.1418 -22.1411 -22.1164 -22.1162 -14.4155 -14.4154 -6.5308 -6.5288 -5.8875 -5.8841 -5.8405 -5.8393 -0.9477 -0.9476 0.9580 0.9603 0.9795 0.9803 7.8691 7.8956 8.0568 8.0889 8.1262 8.1337 8.9623 8.9732 8.9998 9.0038 9.1557 9.1660 9.7719 9.8736 9.8944 9.9557 10.0203 10.0655 12.4308 12.4376 12.5645 12.5717 12.6538 12.6650 14.5947 14.5960 k = 0.0623 0.0625-0.0000 ( 2769 PWs) bands (ev): -46.0884 -46.0884 -22.7866 -22.7862 -22.1424 -22.1416 -22.1165 -22.1163 -14.4133 -14.4132 -6.5311 -6.5288 -5.8874 -5.8834 -5.8399 -5.8386 -0.9435 -0.9433 0.9597 0.9619 0.9875 0.9888 7.8489 7.8798 8.0331 8.0701 8.1168 8.1250 8.9318 8.9446 8.9792 8.9828 9.1475 9.1580 9.7404 9.8370 9.8842 9.9407 10.0108 10.0567 12.4464 12.4539 12.5863 12.5942 12.6726 12.6852 14.6092 14.6106 k = 0.0712 0.0714-0.0000 ( 2777 PWs) bands (ev): -46.0884 -46.0884 -22.7870 -22.7865 -22.1431 -22.1422 -22.1167 -22.1165 -14.4107 -14.4106 -6.5315 -6.5289 -5.8873 -5.8828 -5.8392 -5.8377 -0.9387 -0.9385 0.9616 0.9637 0.9967 0.9985 7.8250 7.8600 8.0075 8.0488 8.1063 8.1151 8.8960 8.9104 8.9560 8.9592 9.1414 9.1518 9.7060 9.7965 9.8723 9.9240 9.9991 10.0450 12.4645 12.4725 12.6109 12.6194 12.6945 12.7083 14.6254 14.6269 k = 0.0801 0.0804-0.0000 ( 2767 PWs) bands (ev): -46.0883 -46.0883 -22.7874 -22.7868 -22.1437 -22.1427 -22.1169 -22.1166 -14.4078 -14.4078 -6.5318 -6.5289 -5.8870 -5.8820 -5.8383 -5.8366 -0.9335 -0.9333 0.9635 0.9657 1.0070 1.0091 7.7975 7.8356 7.9805 8.0252 8.0950 8.1042 8.8556 8.8713 8.9304 8.9333 9.1374 9.1472 9.6688 9.7529 9.8584 9.9057 9.9854 10.0305 12.4850 12.4935 12.6382 12.6470 12.7194 12.7344 14.6432 14.6449 k = 0.0890 0.0893-0.0000 ( 2767 PWs) bands (ev): -46.0883 -46.0883 -22.7878 -22.7872 -22.1445 -22.1434 -22.1171 -22.1167 -14.4047 -14.4046 -6.5321 -6.5289 -5.8867 -5.8813 -5.8371 -5.8353 -0.9280 -0.9276 0.9656 0.9678 1.0182 1.0206 7.7662 7.8065 7.9525 7.9993 8.0829 8.0924 8.8114 8.8284 8.9026 8.9052 9.1349 9.1441 9.6293 9.7067 9.8425 9.8857 9.9699 10.0137 12.5079 12.5167 12.6678 12.6770 12.7473 12.7632 14.6625 14.6642 k = 0.0979 0.0982-0.0000 ( 2771 PWs) bands (ev): -46.0883 -46.0883 -22.7884 -22.7877 -22.1453 -22.1442 -22.1173 -22.1169 -14.4012 -14.4012 -6.5324 -6.5289 -5.8863 -5.8805 -5.8356 -5.8337 -0.9221 -0.9216 0.9679 0.9701 1.0301 1.0327 7.7313 7.7725 7.9235 7.9712 8.0702 8.0799 8.7643 8.7824 8.8727 8.8752 9.1337 9.1423 9.5875 9.6581 9.8248 9.8641 9.9527 9.9950 12.5331 12.5422 12.6997 12.7091 12.7780 12.7947 14.6831 14.6849 k = 0.1068 0.1071-0.0000 ( 2771 PWs) bands (ev): -46.0882 -46.0882 -22.7889 -22.7881 -22.1463 -22.1450 -22.1175 -22.1171 -14.3975 -14.3974 -6.5326 -6.5289 -5.8859 -5.8796 -5.8338 -5.8318 -0.9159 -0.9153 0.9703 0.9726 1.0427 1.0455 7.6929 7.7341 7.8934 7.9408 8.0571 8.0668 8.7148 8.7342 8.8410 8.8434 9.1336 9.1416 9.5440 9.6076 9.8055 9.8409 9.9344 9.9750 12.5605 12.5698 12.7335 12.7430 12.8113 12.8286 14.7047 14.7066 k = 0.1157 0.1161-0.0000 ( 2765 PWs) bands (ev): -46.0882 -46.0882 -22.7894 -22.7886 -22.1472 -22.1459 -22.1177 -22.1173 -14.3936 -14.3935 -6.5328 -6.5288 -5.8854 -5.8788 -5.8317 -5.8296 -0.9095 -0.9087 0.9729 0.9752 1.0557 1.0587 7.6514 7.6916 7.8619 7.9080 8.0437 8.0533 8.6636 8.6843 8.8078 8.8100 9.1342 9.1417 9.4990 9.5557 9.7847 9.8163 9.9152 9.9541 12.5900 12.5994 12.7690 12.7786 12.8472 12.8649 14.7273 14.7292 k = 0.1246 0.1250-0.0000 ( 2765 PWs) bands (ev): -46.0882 -46.0882 -22.7900 -22.7892 -22.1482 -22.1468 -22.1180 -22.1175 -14.3894 -14.3893 -6.5328 -6.5286 -5.8849 -5.8779 -5.8292 -5.8271 -0.9031 -0.9021 0.9757 0.9780 1.0691 1.0722 7.6070 7.6458 7.8286 7.8727 8.0300 8.0396 8.6111 8.6330 8.7731 8.7753 9.1355 9.1426 9.4531 9.5029 9.7625 9.7902 9.8956 9.9329 12.6214 12.6309 12.8060 12.8157 12.8853 12.9034 14.7507 14.7525 k = 0.1335 0.1339-0.0000 ( 2759 PWs) bands (ev): -46.0881 -46.0881 -22.7906 -22.7897 -22.1492 -22.1477 -22.1182 -22.1178 -14.3850 -14.3849 -6.5327 -6.5282 -5.8843 -5.8770 -5.8264 -5.8242 -0.8965 -0.8953 0.9786 0.9809 1.0826 1.0857 7.5602 7.5972 7.7932 7.8350 8.0163 8.0257 8.5576 8.5807 8.7371 8.7393 9.1371 9.1439 9.4066 9.4498 9.7390 9.7630 9.8762 9.9119 12.6547 12.6643 12.8444 12.8541 12.9254 12.9437 14.7746 14.7765 k = 0.1424 0.1429-0.0000 ( 2759 PWs) bands (ev): -46.0881 -46.0881 -22.7913 -22.7903 -22.1504 -22.1488 -22.1185 -22.1180 -14.3804 -14.3803 -6.5324 -6.5277 -5.8836 -5.8761 -5.8233 -5.8211 -0.8899 -0.8885 0.9816 0.9839 1.0961 1.0993 7.5114 7.5464 7.7555 7.7947 8.0023 8.0118 8.5034 8.5276 8.7002 8.7023 9.1386 9.1451 9.3604 9.3972 9.7142 9.7345 9.8573 9.8915 12.6898 12.6993 12.8839 12.8935 12.9674 12.9858 14.7990 14.8009 k = 0.1513 0.1518-0.0000 ( 2763 PWs) bands (ev): -46.0880 -46.0880 -22.7920 -22.7910 -22.1515 -22.1499 -22.1188 -22.1183 -14.3756 -14.3755 -6.5319 -6.5270 -5.8829 -5.8751 -5.8198 -5.8175 -0.8834 -0.8818 0.9847 0.9870 1.1094 1.1126 7.4609 7.4939 7.7155 7.7521 7.9883 7.9978 8.4486 8.4737 8.6625 8.6645 9.1393 9.1455 9.3158 9.3464 9.6881 9.7051 9.8395 9.8721 12.7264 12.7359 12.9244 12.9339 13.0110 13.0294 14.8238 14.8256 k = 0.1602 0.1607-0.0000 ( 2758 PWs) bands (ev): -46.0880 -46.0880 -22.7927 -22.7916 -22.1527 -22.1510 -22.1191 -22.1186 -14.3707 -14.3706 -6.5312 -6.5260 -5.8822 -5.8741 -5.8159 -5.8137 -0.8770 -0.8751 0.9879 0.9903 1.1224 1.1255 7.4092 7.4402 7.6732 7.7072 7.9741 7.9838 8.3933 8.4191 8.6240 8.6260 9.1377 9.1433 9.2750 9.2994 9.6608 9.6748 9.8232 9.8542 12.7645 12.7739 12.9655 12.9750 13.0560 13.0742 14.8486 14.8504 k = 0.1691 0.1696-0.0000 ( 2758 PWs) bands (ev): -46.0879 -46.0879 -22.7934 -22.7923 -22.1540 -22.1522 -22.1194 -22.1189 -14.3656 -14.3655 -6.5301 -6.5248 -5.8814 -5.8732 -5.8118 -5.8096 -0.8708 -0.8686 0.9912 0.9936 1.1350 1.1379 7.3566 7.3856 7.6288 7.6603 7.9597 7.9698 8.3376 8.3637 8.5851 8.5871 9.1306 9.1343 9.2424 9.2598 9.6323 9.6435 9.8086 9.8380 12.8039 12.8133 13.0073 13.0166 13.1022 13.1203 14.8735 14.8753 k = 0.1780 0.1786-0.0000 ( 2754 PWs) bands (ev): -46.0879 -46.0879 -22.7942 -22.7930 -22.1552 -22.1534 -22.1197 -22.1192 -14.3604 -14.3604 -6.5287 -6.5232 -5.8805 -5.8721 -5.8074 -5.8052 -0.8648 -0.8623 0.9946 0.9969 1.1469 1.1496 7.3035 7.3306 7.5824 7.6115 7.9452 7.9558 8.2815 8.3075 8.5458 8.5478 9.1134 9.1141 9.2232 9.2331 9.6026 9.6116 9.7962 9.8238 12.8445 12.8538 13.0495 13.0587 13.1494 13.1672 14.8984 14.9000 k = 0.1869 0.1875-0.0000 ( 2752 PWs) bands (ev): -46.0878 -46.0878 -22.7949 -22.7938 -22.1565 -22.1546 -22.1201 -22.1195 -14.3552 -14.3551 -6.5268 -6.5212 -5.8796 -5.8711 -5.8028 -5.8006 -0.8590 -0.8563 0.9980 1.0003 1.1580 1.1606 7.2501 7.2755 7.5343 7.5610 7.9303 7.9419 8.2250 8.2503 8.5064 8.5083 9.0838 9.0850 9.2168 9.2207 9.5717 9.5788 9.7861 9.8118 12.8862 12.8954 13.0920 13.1010 13.1974 13.2149 14.9231 14.9246 k = 0.1958 0.1964-0.0000 ( 2752 PWs) bands (ev): -46.0878 -46.0878 -22.7957 -22.7945 -22.1578 -22.1559 -22.1204 -22.1198 -14.3498 -14.3497 -6.5245 -6.5187 -5.8787 -5.8700 -5.7980 -5.7958 -0.8535 -0.8505 1.0014 1.0036 1.1682 1.1706 7.1968 7.2205 7.4847 7.5092 7.9151 7.9279 8.1682 8.1920 8.4669 8.4687 9.0491 9.0504 9.2179 9.2181 9.5399 9.5454 9.7783 9.8022 12.9288 12.9379 13.1346 13.1435 13.2461 13.2633 14.9474 14.9489 k = 0.2047 0.2054-0.0000 ( 2744 PWs) bands (ev): -46.0877 -46.0877 -22.7965 -22.7953 -22.1591 -22.1571 -22.1207 -22.1201 -14.3444 -14.3443 -6.5217 -6.5157 -5.8777 -5.8689 -5.7930 -5.7909 -0.8483 -0.8450 1.0047 1.0069 1.1775 1.1796 7.1437 7.1659 7.4338 7.4562 7.8991 7.9140 8.1111 8.1326 8.4274 8.4292 9.0143 9.0148 9.2208 9.2228 9.5071 9.5115 9.7731 9.7950 12.9722 12.9811 13.1771 13.1859 13.2952 13.3120 14.9714 14.9729 k = 0.2136 0.2143-0.0000 ( 2740 PWs) bands (ev): -46.0877 -46.0877 -22.7973 -22.7960 -22.1605 -22.1584 -22.1210 -22.1204 -14.3390 -14.3389 -6.5183 -6.5122 -5.8767 -5.8678 -5.7879 -5.7858 -0.8435 -0.8399 1.0080 1.0101 1.1857 1.1876 7.0911 7.1119 7.3819 7.4023 7.8820 7.9001 8.0543 8.0719 8.3882 8.3899 8.9812 8.9816 9.2261 9.2297 9.4736 9.4770 9.7703 9.7902 13.0163 13.0250 13.2195 13.2282 13.3448 13.3611 14.9950 14.9964 k = 0.2225 0.2232-0.0000 ( 2744 PWs) bands (ev): -46.0876 -46.0876 -22.7981 -22.7969 -22.1619 -22.1598 -22.1214 -22.1207 -14.3335 -14.3334 -6.5143 -6.5081 -5.8757 -5.8667 -5.7829 -5.7808 -0.8391 -0.8352 1.0111 1.0132 1.1928 1.1944 7.0392 7.0586 7.3293 7.3478 7.8627 7.8861 7.9989 8.0101 8.3492 8.3509 8.9510 8.9521 9.2328 9.2378 9.4395 9.4421 9.7700 9.7879 13.0608 13.0694 13.2617 13.2702 13.3945 13.4104 15.0180 15.0193 k = 0.2314 0.2321-0.0000 ( 2746 PWs) bands (ev): -46.0876 -46.0876 -22.7990 -22.7977 -22.1632 -22.1611 -22.1217 -22.1211 -14.3281 -14.3280 -6.5096 -6.5033 -5.8747 -5.8655 -5.7778 -5.7758 -0.8351 -0.8309 1.0141 1.0160 1.1988 1.2001 6.9881 7.0062 7.2761 7.2930 7.8386 7.8719 7.9473 7.9474 8.3106 8.3123 8.9251 8.9267 9.2404 9.2467 9.4050 9.4071 9.7720 9.7880 13.1058 13.1142 13.3034 13.3118 13.4442 13.4597 15.0404 15.0417 k = 0.2403 0.2411-0.0000 ( 2746 PWs) bands (ev): -46.0875 -46.0875 -22.7998 -22.7985 -22.1646 -22.1625 -22.1221 -22.1214 -14.3226 -14.3226 -6.5043 -6.4979 -5.8736 -5.8644 -5.7729 -5.7709 -0.8315 -0.8270 1.0168 1.0186 1.2036 1.2047 6.9379 6.9549 7.2228 7.2380 7.8054 7.8561 7.8853 7.9041 8.2726 8.2742 8.9041 8.9058 9.2482 9.2558 9.3706 9.3721 9.7763 9.7903 13.1509 13.1591 13.3447 13.3529 13.4939 13.5088 15.0622 15.0634 k = 0.2492 0.2500-0.0000 ( 2742 PWs) bands (ev): -46.0875 -46.0875 -22.8006 -22.7993 -22.1660 -22.1638 -22.1224 -22.1217 -14.3173 -14.3172 -6.4982 -6.4917 -5.8725 -5.8632 -5.7681 -5.7661 -0.8283 -0.8236 1.0192 1.0208 1.2074 1.2082 6.8888 6.9047 7.1694 7.1832 7.7600 7.8140 7.8486 7.8723 8.2352 8.2368 8.8883 8.8897 9.2554 9.2644 9.3369 9.3379 9.7828 9.7949 13.1962 13.2042 13.3854 13.3934 13.5433 13.5578 15.0833 15.0844 k = 0.2581 0.2589-0.0000 ( 2746 PWs) bands (ev): -46.0874 -46.0874 -22.8015 -22.8001 -22.1674 -22.1652 -22.1227 -22.1221 -14.3119 -14.3119 -6.4914 -6.4848 -5.8714 -5.8620 -5.7636 -5.7616 -0.8256 -0.8206 1.0212 1.0226 1.2101 1.2107 6.8407 6.8556 7.1162 7.1286 7.7055 7.7497 7.8335 7.8492 8.1984 8.2000 8.8777 8.8787 9.2593 9.2688 9.3068 9.3082 9.7912 9.8016 13.2414 13.2492 13.4254 13.4332 13.5924 13.6064 15.1037 15.1046 k = 0.2670 0.2679-0.0000 ( 2742 PWs) bands (ev): -46.0874 -46.0874 -22.8023 -22.8009 -22.1687 -22.1666 -22.1230 -22.1224 -14.3067 -14.3066 -6.4837 -6.4771 -5.8702 -5.8608 -5.7594 -5.7573 -0.8233 -0.8181 1.0227 1.0239 1.2120 1.2124 6.7939 6.8079 7.0635 7.0745 7.6463 7.6838 7.8198 7.8307 8.1624 8.1639 8.8724 8.8727 9.2479 9.2535 9.2921 9.2986 9.8016 9.8102 13.2864 13.2941 13.4647 13.4723 13.6411 13.6545 15.1233 15.1241 k = 0.2759 0.2768-0.0000 ( 2742 PWs) bands (ev): -46.0873 -46.0873 -22.8031 -22.8018 -22.1701 -22.1679 -22.1234 -22.1227 -14.3015 -14.3015 -6.4753 -6.4686 -5.8691 -5.8596 -5.7555 -5.7535 -0.8215 -0.8161 1.0236 1.0246 1.2131 1.2133 6.7483 6.7614 7.0113 7.0211 7.5847 7.6174 7.8065 7.8145 8.1272 8.1287 8.8717 8.8723 9.2192 9.2222 9.2950 9.3053 9.8136 9.8205 13.3312 13.3386 13.5031 13.5105 13.6891 13.7020 15.1420 15.1428 k = 0.2848 0.2857-0.0000 ( 2742 PWs) bands (ev): -46.0873 -46.0873 -22.8039 -22.8026 -22.1714 -22.1693 -22.1237 -22.1230 -14.2965 -14.2964 -6.4661 -6.4593 -5.8680 -5.8584 -5.7521 -5.7500 -0.8202 -0.8146 1.0238 1.0246 1.2135 1.2136 6.7041 6.7164 6.9599 6.9686 7.5222 7.5511 7.7935 7.7995 8.0929 8.0945 8.8756 8.8773 9.1861 9.1883 9.3026 9.3151 9.8271 9.8325 13.3755 13.3827 13.5405 13.5478 13.7364 13.7487 15.1600 15.1607 k = 0.2937 0.2946-0.0000 ( 2738 PWs) bands (ev): -46.0872 -46.0872 -22.8047 -22.8034 -22.1727 -22.1706 -22.1239 -22.1233 -14.2916 -14.2915 -6.4560 -6.4492 -5.8668 -5.8572 -5.7492 -5.7471 -0.8192 -0.8135 1.0233 1.0238 1.2136 1.2136 6.6612 6.6727 6.9096 6.9171 7.4594 7.4852 7.7807 7.7854 8.0596 8.0611 8.8842 8.8872 9.1523 9.1541 9.3114 9.3257 9.8420 9.8459 13.4192 13.4261 13.5770 13.5841 13.7828 13.7946 15.1771 15.1777 k = 0.3026 0.3036-0.0000 ( 2734 PWs) bands (ev): -46.0872 -46.0872 -22.8054 -22.8041 -22.1740 -22.1719 -22.1242 -22.1236 -14.2868 -14.2867 -6.4452 -6.4383 -5.8657 -5.8560 -5.7469 -5.7447 -0.8187 -0.8129 1.0219 1.0221 1.2132 1.2133 6.6196 6.6304 6.8603 6.8669 7.3968 7.4199 7.7682 7.7720 8.0273 8.0288 8.8973 8.9016 9.1187 9.1202 9.3206 9.3366 9.8580 9.8606 13.4622 13.4689 13.6124 13.6193 13.8283 13.8395 15.1933 15.1939 k = 0.3115 0.3125-0.0000 ( 2738 PWs) bands (ev): -46.0871 -46.0871 -22.8062 -22.8049 -22.1752 -22.1732 -22.1245 -22.1240 -14.2821 -14.2821 -6.4335 -6.4266 -5.8646 -5.8548 -5.7451 -5.7430 -0.8186 -0.8127 1.0194 1.0195 1.2129 1.2130 6.5795 6.5895 6.8124 6.8180 7.3349 7.3555 7.7560 7.7591 7.9961 7.9976 8.9145 8.9203 9.0855 9.0869 9.3299 9.3476 9.8750 9.8763 13.5043 13.5109 13.6467 13.6533 13.8726 13.8833 15.2086 15.2091 k = 0.3204 0.3214-0.0000 ( 2736 PWs) bands (ev): -46.0871 -46.0871 -22.8069 -22.8057 -22.1764 -22.1745 -22.1248 -22.1242 -14.2777 -14.2776 -6.4211 -6.4142 -5.8635 -5.8537 -5.7441 -5.7419 -0.8189 -0.8129 1.0158 1.0163 1.2126 1.2127 6.5408 6.5500 6.7660 6.7706 7.2739 7.2924 7.7441 7.7467 7.9660 7.9675 8.9353 8.9428 9.0530 9.0544 9.3392 9.3587 9.8928 9.8929 13.5455 13.5518 13.6798 13.6862 13.9158 13.9259 15.2231 15.2236 k = 0.3293 0.3304-0.0000 ( 2734 PWs) bands (ev): -46.0870 -46.0870 -22.8076 -22.8064 -22.1776 -22.1757 -22.1251 -22.1245 -14.2733 -14.2733 -6.4079 -6.4010 -5.8624 -5.8525 -5.7438 -5.7415 -0.8196 -0.8136 1.0113 1.0120 1.2125 1.2126 6.5035 6.5120 6.7213 6.7249 7.2142 7.2307 7.7325 7.7347 7.9370 7.9385 8.9593 8.9688 9.0214 9.0230 9.3484 9.3698 9.9102 9.9112 13.5857 13.5917 13.7117 13.7179 13.9575 13.9672 15.2367 15.2371 k = 0.3382 0.3393-0.0000 ( 2734 PWs) bands (ev): -46.0870 -46.0870 -22.8083 -22.8072 -22.1787 -22.1769 -22.1254 -22.1248 -14.2692 -14.2692 -6.3940 -6.3871 -5.8614 -5.8514 -5.7443 -5.7419 -0.8205 -0.8146 1.0058 1.0068 1.2127 1.2128 6.4676 6.4754 6.6784 6.6811 7.1560 7.1707 7.7213 7.7232 7.9092 7.9107 8.9812 8.9883 8.9975 9.0002 9.3575 9.3808 9.9280 9.9300 13.6246 13.6304 13.7422 13.7482 13.9978 14.0069 15.2494 15.2497 k = 0.3471 0.3482-0.0000 ( 2734 PWs) bands (ev): -46.0869 -46.0869 -22.8090 -22.8079 -22.1798 -22.1780 -22.1256 -22.1251 -14.2653 -14.2652 -6.3795 -6.3725 -5.8604 -5.8503 -5.7455 -5.7430 -0.8218 -0.8159 0.9995 1.0008 1.2132 1.2132 6.4333 6.4402 6.6375 6.6392 7.0996 7.1126 7.7105 7.7122 7.8827 7.8842 8.9602 8.9603 9.0184 9.0304 9.3664 9.3919 9.9461 9.9490 13.6622 13.6677 13.7714 13.7772 14.0365 14.0451 15.2613 15.2615 k = 0.3560 0.3571-0.0000 ( 2738 PWs) bands (ev): -46.0869 -46.0869 -22.8097 -22.8086 -22.1809 -22.1791 -22.1258 -22.1253 -14.2615 -14.2615 -6.3644 -6.3574 -5.8594 -5.8492 -5.7476 -5.7449 -0.8233 -0.8175 0.9926 0.9941 1.2140 1.2141 6.4004 6.4065 6.5987 6.5995 7.0451 7.0566 7.7001 7.7017 7.8574 7.8589 8.9319 8.9322 9.0495 9.0641 9.3752 9.4029 9.9644 9.9681 13.6983 13.7036 13.7993 13.8048 14.0735 14.0816 15.2722 15.2724 k = 0.3649 0.3661-0.0000 ( 2730 PWs) bands (ev): -46.0868 -46.0868 -22.8102 -22.8092 -22.1818 -22.1802 -22.1261 -22.1256 -14.2580 -14.2579 -6.3487 -6.3418 -5.8585 -5.8482 -5.7505 -5.7476 -0.8251 -0.8194 0.9851 0.9867 1.2152 1.2153 6.3689 6.3743 6.5620 6.5621 6.9928 7.0029 7.6902 7.6917 7.8333 7.8349 8.9046 8.9050 9.0823 9.0996 9.3838 9.4139 9.9826 9.9870 13.7329 13.7379 13.8257 13.8310 14.1087 14.1163 15.2824 15.2825 k = 0.3738 0.3750-0.0000 ( 2736 PWs) bands (ev): -46.0868 -46.0868 -22.8108 -22.8098 -22.1828 -22.1812 -22.1263 -22.1258 -14.2546 -14.2546 -6.3326 -6.3258 -5.8577 -5.8472 -5.7542 -5.7511 -0.8270 -0.8215 0.9771 0.9790 1.2166 1.2167 6.3390 6.3436 6.5270 6.5279 6.9429 6.9516 7.6809 7.6822 7.8106 7.8121 8.8787 8.8791 9.1159 9.1360 9.3922 9.4249 10.0007 10.0056 13.7658 13.7706 13.8507 13.8557 14.1420 14.1491 15.2917 15.2918 k = 0.3827 0.3839-0.0000 ( 2734 PWs) bands (ev): -46.0868 -46.0868 -22.8114 -22.8104 -22.1837 -22.1822 -22.1265 -22.1260 -14.2515 -14.2515 -6.3162 -6.3094 -5.8569 -5.8462 -5.7588 -5.7553 -0.8290 -0.8237 0.9690 0.9709 1.2182 1.2184 6.3106 6.3144 6.4944 6.4961 6.8954 6.9029 7.6721 7.6734 7.7892 7.7907 8.8543 8.8547 9.1498 9.1730 9.4004 9.4360 10.0184 10.0238 13.7970 13.8015 13.8741 13.8788 14.1734 14.1799 15.3002 15.3003 k = 0.3917 0.3929-0.0000 ( 2734 PWs) bands (ev): -46.0867 -46.0867 -22.8119 -22.8110 -22.1845 -22.1831 -22.1267 -22.1263 -14.2486 -14.2486 -6.2996 -6.2929 -5.8562 -5.8452 -5.7641 -5.7603 -0.8311 -0.8261 0.9608 0.9627 1.2200 1.2202 6.2837 6.2868 6.4645 6.4669 6.8506 6.8570 7.6639 7.6651 7.7691 7.7707 8.8313 8.8317 9.1832 9.2097 9.4086 9.4471 10.0356 10.0413 13.8262 13.8305 13.8961 13.9005 14.2026 14.2086 15.3079 15.3080 k = 0.4006 0.4018-0.0000 ( 2746 PWs) bands (ev): -46.0867 -46.0867 -22.8124 -22.8116 -22.1853 -22.1840 -22.1269 -22.1265 -14.2459 -14.2459 -6.2829 -6.2763 -5.8555 -5.8443 -5.7702 -5.7659 -0.8333 -0.8286 0.9526 0.9546 1.2220 1.2222 6.2585 6.2608 6.4372 6.4402 6.8087 6.8140 7.6563 7.6576 7.7504 7.7519 8.8099 8.8103 9.2156 9.2456 9.4168 9.4583 10.0521 10.0580 13.8536 13.8575 13.9164 13.9206 14.2297 14.2352 15.3149 15.3149 k = 0.4095 0.4107-0.0000 ( 2750 PWs) bands (ev): -46.0867 -46.0867 -22.8128 -22.8121 -22.1861 -22.1848 -22.1271 -22.1267 -14.2434 -14.2434 -6.2662 -6.2598 -5.8550 -5.8434 -5.7769 -5.7720 -0.8354 -0.8310 0.9447 0.9467 1.2239 1.2242 6.2349 6.2366 6.4126 6.4161 6.7696 6.7740 7.6495 7.6507 7.7330 7.7346 8.7902 8.7905 9.2464 9.2798 9.4253 9.4697 10.0678 10.0738 13.8788 13.8825 13.9352 13.9391 14.2546 14.2596 15.3211 15.3211 k = 0.4184 0.4196-0.0000 ( 2742 PWs) bands (ev): -46.0866 -46.0866 -22.8132 -22.8125 -22.1866 -22.1855 -22.1271 -22.1268 -14.2412 -14.2412 -6.2497 -6.2435 -5.8545 -5.8425 -5.7841 -5.7786 -0.8375 -0.8335 0.9372 0.9391 1.2259 1.2261 6.2130 6.2142 6.3907 6.3946 6.7337 6.7372 7.6434 7.6447 7.7169 7.7185 8.7721 8.7725 9.2750 9.3114 9.4344 9.4813 10.0826 10.0885 13.9020 13.9053 13.9524 13.9559 14.2773 14.2818 15.3266 15.3266 k = 0.4273 0.4286-0.0000 ( 2742 PWs) bands (ev): -46.0866 -46.0866 -22.8135 -22.8129 -22.1872 -22.1862 -22.1273 -22.1270 -14.2391 -14.2391 -6.2337 -6.2277 -5.8542 -5.8416 -5.7918 -5.7855 -0.8395 -0.8358 0.9302 0.9319 1.2278 1.2281 6.1930 6.1938 6.3715 6.3756 6.7010 6.7038 7.6381 7.6394 7.7022 7.7038 8.7558 8.7561 9.3009 9.3394 9.4447 9.4929 10.0963 10.1020 13.9229 13.9259 13.9680 13.9711 14.2976 14.3016 15.3314 15.3315 k = 0.4362 0.4375-0.0000 ( 2742 PWs) bands (ev): -46.0866 -46.0866 -22.8138 -22.8133 -22.1877 -22.1868 -22.1274 -22.1271 -14.2374 -14.2374 -6.2183 -6.2127 -5.8539 -5.8407 -5.7997 -5.7924 -0.8413 -0.8380 0.9237 0.9253 1.2297 1.2299 6.1749 6.1753 6.3550 6.3591 6.6716 6.6737 7.6337 7.6350 7.6888 7.6904 8.7413 8.7416 9.3239 9.3625 9.4569 9.5044 10.1088 10.1142 13.9415 13.9442 13.9819 13.9847 14.3157 14.3192 15.3356 15.3357 k = 0.4451 0.4464-0.0000 ( 2744 PWs) bands (ev): -46.0866 -46.0866 -22.8141 -22.8136 -22.1881 -22.1874 -22.1275 -22.1273 -14.2358 -14.2358 -6.2038 -6.1986 -5.8537 -5.8399 -5.8077 -5.7993 -0.8430 -0.8401 0.9180 0.9194 1.2313 1.2315 6.1589 6.1591 6.3409 6.3449 6.6457 6.6472 7.6301 7.6315 7.6768 7.6784 8.7286 8.7288 9.3437 9.3802 9.4711 9.5155 10.1200 10.1250 13.9578 13.9602 13.9941 13.9966 14.3314 14.3345 15.3392 15.3393 k = 0.4540 0.4554-0.0000 ( 2744 PWs) bands (ev): -46.0866 -46.0866 -22.8143 -22.8139 -22.1885 -22.1878 -22.1276 -22.1274 -14.2345 -14.2345 -6.1905 -6.1859 -5.8535 -5.8390 -5.8155 -5.8059 -0.8444 -0.8420 0.9130 0.9142 1.2328 1.2330 6.1451 6.1451 6.3294 6.3331 6.6234 6.6245 7.6276 7.6289 7.6660 7.6677 8.7178 8.7180 9.3604 9.3925 9.4869 9.5258 10.1298 10.1342 13.9717 13.9737 14.0046 14.0067 14.3449 14.3474 15.3422 15.3423 k = 0.4629 0.4643-0.0000 ( 2742 PWs) bands (ev): -46.0865 -46.0865 -22.8145 -22.8142 -22.1887 -22.1882 -22.1276 -22.1275 -14.2334 -14.2334 -6.1787 -6.1747 -5.8533 -5.8383 -5.8228 -5.8120 -0.8456 -0.8436 0.9088 0.9098 1.2341 1.2342 6.1334 6.1335 6.3202 6.3234 6.6048 6.6055 7.6259 7.6274 7.6566 7.6583 8.7088 8.7090 9.3742 9.4005 9.5027 9.5347 10.1381 10.1418 13.9832 13.9848 14.0135 14.0152 14.3559 14.3580 15.3447 15.3447 k = 0.4718 0.4732-0.0000 ( 2728 PWs) bands (ev): -46.0865 -46.0865 -22.8145 -22.8143 -22.1889 -22.1885 -22.1276 -22.1275 -14.2325 -14.2325 -6.1688 -6.1656 -5.8529 -5.8382 -5.8287 -5.8173 -0.8465 -0.8450 0.9055 0.9063 1.2351 1.2352 6.1241 6.1243 6.3132 6.3158 6.5900 6.5904 7.6254 7.6269 7.6485 7.6501 8.7018 8.7019 9.3853 9.4053 9.5172 9.5416 10.1449 10.1478 13.9923 13.9935 14.0205 14.0218 14.3647 14.3662 15.3466 15.3466 k = 0.4807 0.4821-0.0000 ( 2728 PWs) bands (ev): -46.0865 -46.0865 -22.8146 -22.8145 -22.1890 -22.1887 -22.1276 -22.1275 -14.2319 -14.2319 -6.1610 -6.1588 -5.8520 -5.8401 -5.8315 -5.8219 -0.8471 -0.8461 0.9031 0.9036 1.2359 1.2360 6.1174 6.1175 6.3083 6.3102 6.5791 6.5794 7.6259 7.6274 7.6417 7.6433 8.6966 8.6967 9.3939 9.4075 9.5294 9.5461 10.1500 10.1520 13.9989 13.9998 14.0257 14.0266 14.3711 14.3722 15.3479 15.3479 k = 0.4896 0.4911-0.0000 ( 2732 PWs) bands (ev): -46.0865 -46.0865 -22.8147 -22.8146 -22.1891 -22.1889 -22.1276 -22.1276 -14.2315 -14.2315 -6.1558 -6.1546 -5.8506 -5.8438 -5.8311 -5.8256 -0.8474 -0.8469 0.9016 0.9019 1.2364 1.2364 6.1131 6.1132 6.3055 6.3065 6.5723 6.5724 7.6275 7.6290 7.6362 7.6377 8.6934 8.6934 9.4003 9.4076 9.5387 9.5477 10.1534 10.1545 14.0032 14.0036 14.0291 14.0296 14.3752 14.3758 15.3488 15.3488 k = 0.4985 0.5000-0.0000 ( 2728 PWs) bands (ev): -46.0865 -46.0865 -22.8147 -22.8146 -22.1891 -22.1890 -22.1276 -22.1276 -14.2313 -14.2313 -6.1534 -6.1532 -5.8483 -5.8473 -5.8293 -5.8285 -0.8474 -0.8473 0.9011 0.9011 1.2366 1.2366 6.1114 6.1115 6.3047 6.3048 6.5696 6.5696 7.6300 7.6307 7.6329 7.6336 8.6921 8.6921 9.4047 9.4057 9.5448 9.5461 10.1550 10.1552 14.0050 14.0050 14.0306 14.0307 14.3770 14.3771 15.3491 15.3491 k = 0.4985 0.5000-0.0000 ( 2728 PWs) bands (ev): -46.0865 -46.0865 -22.8147 -22.8146 -22.1891 -22.1890 -22.1276 -22.1276 -14.2313 -14.2313 -6.1534 -6.1532 -5.8483 -5.8473 -5.8293 -5.8285 -0.8474 -0.8473 0.9011 0.9011 1.2366 1.2366 6.1114 6.1115 6.3047 6.3048 6.5696 6.5696 7.6300 7.6307 7.6329 7.6336 8.6921 8.6921 9.4047 9.4057 9.5448 9.5461 10.1550 10.1552 14.0050 14.0050 14.0306 14.0307 14.3770 14.3771 15.3491 15.3491 k = 0.4857 0.5000-0.0000 ( 2732 PWs) bands (ev): -46.0865 -46.0865 -22.8147 -22.8146 -22.1891 -22.1890 -22.1276 -22.1276 -14.2315 -14.2315 -6.1556 -6.1546 -5.8497 -5.8446 -5.8305 -5.8263 -0.8474 -0.8469 0.9016 0.9018 1.2364 1.2364 6.1132 6.1133 6.3059 6.3066 6.5718 6.5718 7.6284 7.6298 7.6352 7.6367 8.6933 8.6934 9.4010 9.4065 9.5402 9.5470 10.1536 10.1544 14.0034 14.0037 14.0292 14.0296 14.3754 14.3758 15.3488 15.3488 k = 0.4729 0.5000-0.0000 ( 2727 PWs) bands (ev): -46.0865 -46.0865 -22.8146 -22.8145 -22.1890 -22.1888 -22.1276 -22.1275 -14.2319 -14.2319 -6.1607 -6.1590 -5.8501 -5.8410 -5.8309 -5.8235 -0.8470 -0.8462 0.9031 0.9035 1.2359 1.2360 6.1178 6.1179 6.3096 6.3110 6.5773 6.5775 7.6274 7.6287 7.6402 7.6417 8.6966 8.6966 9.3949 9.4048 9.5327 9.5450 10.1503 10.1518 13.9989 13.9994 14.0264 14.0270 14.3714 14.3721 15.3481 15.3481 k = 0.4601 0.5000-0.0000 ( 2735 PWs) bands (ev): -46.0865 -46.0865 -22.8146 -22.8144 -22.1889 -22.1886 -22.1276 -22.1275 -14.2325 -14.2325 -6.1685 -6.1662 -5.8494 -5.8366 -5.8304 -5.8201 -0.8464 -0.8452 0.9055 0.9061 1.2351 1.2352 6.1251 6.1253 6.3159 6.3178 6.5864 6.5867 7.6268 7.6280 7.6473 7.6486 8.7017 8.7018 9.3864 9.4007 9.5225 9.5401 10.1452 10.1474 13.9904 13.9910 14.0235 14.0242 14.3651 14.3662 15.3469 15.3469 k = 0.4473 0.5000-0.0000 ( 2739 PWs) bands (ev): -46.0865 -46.0865 -22.8144 -22.8142 -22.1887 -22.1883 -22.1276 -22.1275 -14.2334 -14.2334 -6.1789 -6.1761 -5.8477 -5.8319 -5.8290 -5.8162 -0.8454 -0.8439 0.9089 0.9097 1.2340 1.2341 6.1349 6.1350 6.3248 6.3272 6.5991 6.5995 7.6263 7.6274 7.6566 7.6578 8.7089 8.7090 9.3755 9.3942 9.5095 9.5325 10.1383 10.1411 13.9771 13.9777 14.0212 14.0219 14.3566 14.3580 15.3452 15.3452 k = 0.4346 0.5000-0.0000 ( 2743 PWs) bands (ev): -46.0866 -46.0866 -22.8143 -22.8140 -22.1884 -22.1879 -22.1275 -22.1274 -14.2345 -14.2345 -6.1915 -6.1883 -5.8451 -5.8282 -5.8255 -5.8119 -0.8441 -0.8423 0.9132 0.9142 1.2327 1.2328 6.1467 6.1468 6.3364 6.3392 6.6155 6.6163 7.6260 7.6269 7.6681 7.6692 8.7180 8.7181 9.3623 9.3852 9.4941 9.5222 10.1295 10.1328 13.9590 13.9595 14.0197 14.0202 14.3460 14.3478 15.3429 15.3429 k = 0.4218 0.5000-0.0000 ( 2745 PWs) bands (ev): -46.0866 -46.0866 -22.8140 -22.8137 -22.1880 -22.1875 -22.1274 -22.1273 -14.2358 -14.2358 -6.2061 -6.2026 -5.8417 -5.8254 -5.8199 -5.8073 -0.8425 -0.8403 0.9184 0.9196 1.2311 1.2313 6.1600 6.1601 6.3509 6.3539 6.6359 6.6370 7.6256 7.6264 7.6818 7.6828 8.7289 8.7291 9.3468 9.3739 9.4764 9.5094 10.1188 10.1226 13.9365 13.9369 14.0185 14.0190 14.3336 14.3357 15.3400 15.3401 k = 0.4090 0.5000-0.0000 ( 2742 PWs) bands (ev): -46.0866 -46.0866 -22.8138 -22.8134 -22.1876 -22.1869 -22.1273 -22.1271 -14.2373 -14.2373 -6.2225 -6.2189 -5.8376 -5.8224 -5.8140 -5.8025 -0.8406 -0.8381 0.9246 0.9260 1.2293 1.2295 6.1742 6.1743 6.3684 6.3716 6.6604 6.6619 7.6253 7.6259 7.6978 7.6986 8.7418 8.7420 9.3292 9.3601 9.4568 9.4943 10.1060 10.1103 13.9099 13.9102 14.0175 14.0180 14.3194 14.3218 15.3365 15.3365 k = 0.3962 0.5000-0.0000 ( 2748 PWs) bands (ev): -46.0866 -46.0866 -22.8135 -22.8130 -22.1871 -22.1864 -22.1272 -22.1270 -14.2391 -14.2391 -6.2404 -6.2367 -5.8330 -5.8190 -5.8078 -5.7976 -0.8385 -0.8356 0.9316 0.9332 1.2273 1.2276 6.1887 6.1890 6.3893 6.3924 6.6891 6.6911 7.6249 7.6254 7.7158 7.7166 8.7566 8.7568 9.3095 9.3437 9.4355 9.4772 10.0912 10.0958 13.8795 13.8797 14.0167 14.0170 14.3038 14.3065 15.3322 15.3322 k = 0.3834 0.5000-0.0000 ( 2748 PWs) bands (ev): -46.0866 -46.0866 -22.8131 -22.8127 -22.1866 -22.1858 -22.1271 -22.1269 -14.2410 -14.2410 -6.2596 -6.2560 -5.8280 -5.8154 -5.8013 -5.7926 -0.8360 -0.8329 0.9394 0.9413 1.2252 1.2255 6.2029 6.2035 6.4138 6.4166 6.7219 6.7244 7.6245 7.6249 7.7359 7.7366 8.7731 8.7733 9.2877 9.3246 9.4132 9.4583 10.0743 10.0791 13.8454 13.8456 14.0158 14.0162 14.2869 14.2899 15.3270 15.3270 k = 0.3707 0.5000-0.0000 ( 2754 PWs) bands (ev): -46.0867 -46.0867 -22.8128 -22.8123 -22.1860 -22.1851 -22.1269 -22.1267 -14.2431 -14.2431 -6.2800 -6.2764 -5.8229 -5.8118 -5.7947 -5.7874 -0.8334 -0.8299 0.9480 0.9501 1.2230 1.2234 6.2164 6.2173 6.4421 6.4445 6.7587 6.7619 7.6240 7.6244 7.7579 7.7586 8.7914 8.7916 9.2640 9.3026 9.3905 9.4379 10.0551 10.0601 13.8080 13.8081 14.0150 14.0153 14.2690 14.2723 15.3208 15.3209 k = 0.3579 0.5000-0.0000 ( 2752 PWs) bands (ev): -46.0867 -46.0867 -22.8124 -22.8118 -22.1853 -22.1844 -22.1267 -22.1265 -14.2454 -14.2454 -6.3012 -6.2977 -5.8178 -5.8083 -5.7877 -5.7820 -0.8305 -0.8267 0.9574 0.9597 1.2207 1.2212 6.2289 6.2303 6.4742 6.4761 6.7994 6.8034 7.6235 7.6238 7.7817 7.7823 8.8113 8.8116 9.2384 9.2775 9.3679 9.4164 10.0336 10.0388 13.7674 13.7675 14.0142 14.0144 14.2504 14.2540 15.3135 15.3136 k = 0.3451 0.5000-0.0000 ( 2753 PWs) bands (ev): -46.0867 -46.0867 -22.8119 -22.8113 -22.1846 -22.1837 -22.1265 -22.1262 -14.2478 -14.2478 -6.3233 -6.3199 -5.8129 -5.8051 -5.7803 -5.7762 -0.8274 -0.8234 0.9674 0.9700 1.2185 1.2190 6.2404 6.2421 6.5101 6.5114 6.8438 6.8485 7.6230 7.6233 7.8072 7.8077 8.8329 8.8332 9.2110 9.2494 9.3460 9.3942 10.0097 10.0150 13.7240 13.7240 14.0133 14.0135 14.2313 14.2351 15.3050 15.3052 k = 0.3323 0.5000-0.0000 ( 2754 PWs) bands (ev): -46.0868 -46.0868 -22.8115 -22.8108 -22.1839 -22.1829 -22.1263 -22.1260 -14.2504 -14.2503 -6.3459 -6.3426 -5.8085 -5.8023 -5.7726 -5.7699 -0.8241 -0.8198 0.9781 0.9809 1.2162 1.2168 6.2507 6.2528 6.5497 6.5503 6.8913 6.8968 7.6224 7.6227 7.8342 7.8347 8.8561 8.8564 9.1819 9.2184 9.3251 9.3718 9.9834 9.9886 13.6778 13.6779 14.0124 14.0126 14.2120 14.2160 15.2951 15.2954 k = 0.3195 0.5000-0.0000 ( 2752 PWs) bands (ev): -46.0868 -46.0868 -22.8109 -22.8103 -22.1831 -22.1821 -22.1260 -22.1257 -14.2530 -14.2530 -6.3689 -6.3658 -5.8048 -5.8000 -5.7645 -5.7630 -0.8206 -0.8161 0.9894 0.9924 1.2142 1.2148 6.2600 6.2625 6.5926 6.5926 6.9416 6.9480 7.6219 7.6220 7.8626 7.8630 8.8807 8.8810 9.1511 9.1847 9.3055 9.3497 9.9545 9.9597 13.6293 13.6294 14.0115 14.0116 14.1927 14.1970 15.2836 15.2840 k = 0.3067 0.5000-0.0000 ( 2754 PWs) bands (ev): -46.0868 -46.0868 -22.8104 -22.8098 -22.1823 -22.1813 -22.1257 -22.1254 -14.2558 -14.2558 -6.3923 -6.3893 -5.8018 -5.7982 -5.7560 -5.7555 -0.8170 -0.8123 1.0011 1.0043 1.2123 1.2130 6.2685 6.2714 6.6381 6.6388 6.9942 7.0014 7.6213 7.6214 7.8922 7.8925 8.9067 8.9069 9.1189 9.1489 9.2874 9.3284 9.9230 9.9281 13.5787 13.5787 14.0106 14.0106 14.1737 14.1782 15.2705 15.2710 k = 0.2940 0.5000-0.0000 ( 2754 PWs) bands (ev): -46.0869 -46.0869 -22.8099 -22.8092 -22.1815 -22.1804 -22.1254 -22.1251 -14.2586 -14.2586 -6.4157 -6.4130 -5.7995 -5.7968 -5.7475 -5.7472 -0.8133 -0.8084 1.0131 1.0166 1.2106 1.2114 6.2763 6.2794 6.6866 6.6879 7.0484 7.0566 7.6207 7.6208 7.9228 7.9231 8.9339 8.9341 9.0852 9.1113 9.2711 9.3085 9.8889 9.8938 13.5262 13.5262 14.0096 14.0096 14.1551 14.1599 15.2555 15.2561 k = 0.2812 0.5000-0.0000 ( 2748 PWs) bands (ev): -46.0869 -46.0869 -22.8094 -22.8086 -22.1807 -22.1796 -22.1251 -22.1247 -14.2615 -14.2615 -6.4392 -6.4367 -5.7979 -5.7959 -5.7390 -5.7382 -0.8095 -0.8044 1.0254 1.0290 1.2093 1.2102 6.2834 6.2869 6.7379 6.7399 7.1037 7.1128 7.6200 7.6201 7.9544 7.9546 8.9623 8.9623 9.0504 9.0723 9.2568 9.2905 9.8521 9.8567 13.4722 13.4722 14.0085 14.0086 14.1373 14.1422 15.2385 15.2392 k = 0.2684 0.5000-0.0000 ( 2752 PWs) bands (ev): -46.0869 -46.0869 -22.8088 -22.8081 -22.1799 -22.1788 -22.1247 -22.1244 -14.2645 -14.2645 -6.4626 -6.4602 -5.7969 -5.7955 -5.7301 -5.7290 -0.8056 -0.8004 1.0378 1.0416 1.2084 1.2093 6.2901 6.2938 6.7917 6.7944 7.1594 7.1694 7.6194 7.6194 7.9866 7.9867 8.9899 8.9916 9.0161 9.0324 9.2450 9.2749 9.8126 9.8169 13.4169 13.4169 14.0074 14.0075 14.1203 14.1255 15.2192 15.2201 k = 0.2556 0.5000-0.0000 ( 2747 PWs) bands (ev): -46.0870 -46.0870 -22.8082 -22.8075 -22.1791 -22.1779 -22.1243 -22.1240 -14.2674 -14.2674 -6.4858 -6.4836 -5.7965 -5.7955 -5.7210 -5.7196 -0.8016 -0.7963 1.0502 1.0540 1.2081 1.2090 6.2964 6.3003 6.8478 6.8513 7.2148 7.2258 7.6188 7.6188 8.0193 8.0193 8.9751 8.9913 9.0223 9.0242 9.2361 9.2623 9.7704 9.7744 13.3606 13.3606 14.0063 14.0064 14.1043 14.1098 15.1976 15.1987 k = 0.2428 0.5000-0.0000 ( 2753 PWs) bands (ev): -46.0870 -46.0870 -22.8077 -22.8070 -22.1783 -22.1771 -22.1239 -22.1236 -14.2704 -14.2704 -6.5086 -6.5065 -5.7966 -5.7959 -5.7117 -5.7102 -0.7977 -0.7923 1.0623 1.0661 1.2085 1.2093 6.3024 6.3065 6.9061 6.9104 7.2691 7.2811 7.6181 7.6181 8.0522 8.0523 8.9381 8.9505 9.0531 9.0545 9.2304 9.2532 9.7256 9.7291 13.3037 13.3037 14.0051 14.0052 14.0896 14.0952 15.1734 15.1747 k = 0.2301 0.5000-0.0000 ( 2751 PWs) bands (ev): -46.0871 -46.0871 -22.8071 -22.8064 -22.1775 -22.1763 -22.1235 -22.1232 -14.2734 -14.2734 -6.5310 -6.5291 -5.7970 -5.7965 -5.7024 -5.7008 -0.7937 -0.7884 1.0739 1.0777 1.2097 1.2104 6.3082 6.3125 6.9664 6.9715 7.3218 7.3348 7.6175 7.6175 8.0852 8.0853 8.9002 8.9095 9.0846 9.0860 9.2285 9.2479 9.6781 9.6811 13.2465 13.2465 14.0039 14.0040 14.0761 14.0820 15.1465 15.1480 k = 0.2173 0.5000-0.0000 ( 2750 PWs) bands (ev): -46.0871 -46.0871 -22.8066 -22.8059 -22.1767 -22.1756 -22.1231 -22.1228 -14.2763 -14.2763 -6.5528 -6.5510 -5.7979 -5.7975 -5.6930 -5.6915 -0.7898 -0.7845 1.0848 1.0885 1.2118 1.2124 6.3137 6.3181 7.0283 7.0344 7.3721 7.3863 7.6168 7.6169 8.1180 8.1183 8.8621 8.8687 9.1163 9.1180 9.2306 9.2469 9.6282 9.6305 13.1893 13.1893 14.0026 14.0028 14.0640 14.0702 15.1169 15.1187 k = 0.2045 0.5000-0.0000 ( 2749 PWs) bands (ev): -46.0871 -46.0871 -22.8060 -22.8054 -22.1759 -22.1748 -22.1226 -22.1223 -14.2791 -14.2791 -6.5739 -6.5723 -5.7989 -5.7987 -5.6838 -5.6823 -0.7860 -0.7807 1.0949 1.0984 1.2151 1.2155 6.3191 6.3237 7.0915 7.0988 7.4196 7.4351 7.6162 7.6163 8.1504 8.1508 8.8240 8.8286 9.1481 9.1502 9.2372 9.2504 9.5758 9.5774 13.1324 13.1325 14.0012 14.0015 14.0534 14.0598 15.0845 15.0865 k = 0.1917 0.5000-0.0000 ( 2757 PWs) bands (ev): -46.0872 -46.0872 -22.8056 -22.8049 -22.1752 -22.1742 -22.1222 -22.1219 -14.2819 -14.2819 -6.5943 -6.5928 -5.8003 -5.8001 -5.6748 -5.6734 -0.7822 -0.7770 1.1039 1.1070 1.2195 1.2197 6.3244 6.3290 7.1557 7.1643 7.4640 7.4807 7.6156 7.6157 8.1823 8.1828 8.7865 8.7892 9.1797 9.1823 9.2483 9.2582 9.5215 9.5219 13.0763 13.0764 13.9998 14.0001 14.0443 14.0508 15.0494 15.0517 k = 0.1789 0.5000-0.0000 ( 2755 PWs) bands (ev): -46.0872 -46.0872 -22.8050 -22.8044 -22.1745 -22.1735 -22.1217 -22.1215 -14.2846 -14.2846 -6.6138 -6.6125 -5.8017 -5.8017 -5.6660 -5.6647 -0.7785 -0.7735 1.1116 1.1144 1.2250 1.2251 6.3295 6.3341 7.2202 7.2305 7.5051 7.5234 7.6150 7.6152 8.2134 8.2140 8.7497 8.7510 9.2107 9.2140 9.2638 9.2699 9.4646 9.4658 13.0213 13.0213 13.9983 13.9986 14.0367 14.0434 15.0117 15.0144 k = 0.1662 0.5000-0.0000 ( 2756 PWs) bands (ev): -46.0872 -46.0872 -22.8045 -22.8039 -22.1739 -22.1729 -22.1213 -22.1210 -14.2873 -14.2872 -6.6324 -6.6312 -5.8034 -5.8033 -5.6575 -5.6563 -0.7750 -0.7701 1.1181 1.1205 1.2313 1.2318 6.3345 6.3391 7.2844 7.2966 7.5432 7.5633 7.6145 7.6147 8.2435 8.2442 8.7140 8.7142 9.2407 9.2451 9.2826 9.2832 9.4065 9.4110 12.9676 12.9677 13.9968 13.9971 14.0305 14.0373 14.9717 14.9747 k = 0.1534 0.5000-0.0000 ( 2760 PWs) bands (ev): -46.0873 -46.0873 -22.8041 -22.8035 -22.1733 -22.1724 -22.1208 -22.1206 -14.2897 -14.2897 -6.6499 -6.6488 -5.8051 -5.8050 -5.6494 -5.6483 -0.7716 -0.7670 1.1235 1.1254 1.2386 1.2393 6.3393 6.3439 7.3470 7.3615 7.5793 7.6013 7.6141 7.6145 8.2723 8.2732 8.6790 8.6796 9.2687 9.2743 9.2880 9.2976 9.3554 9.3680 12.9158 12.9159 13.9954 13.9956 14.0257 14.0326 14.9299 14.9332 k = 0.1406 0.5000-0.0000 ( 2760 PWs) bands (ev): -46.0873 -46.0873 -22.8036 -22.8031 -22.1727 -22.1718 -22.1204 -22.1202 -14.2921 -14.2921 -6.6663 -6.6653 -5.8068 -5.8068 -5.6418 -5.6407 -0.7684 -0.7640 1.1277 1.1293 1.2464 1.2475 6.3440 6.3485 7.4063 7.4231 7.6112 7.6137 7.6179 7.6399 8.2997 8.3007 8.6457 8.6469 9.2524 9.2596 9.3037 9.3058 9.3508 9.3636 12.8662 12.8663 13.9940 13.9942 14.0222 14.0290 14.8866 14.8902 k = 0.1278 0.5000-0.0000 ( 2762 PWs) bands (ev): -46.0873 -46.0873 -22.8032 -22.8027 -22.1721 -22.1714 -22.1200 -22.1198 -14.2943 -14.2943 -6.6816 -6.6807 -5.8085 -5.8085 -5.6346 -5.6337 -0.7654 -0.7613 1.1311 1.1323 1.2546 1.2559 6.3485 6.3529 7.4597 7.4782 7.6126 7.6134 7.6553 7.6804 8.3254 8.3266 8.6145 8.6160 9.1949 9.2000 9.3306 9.3341 9.3757 9.3844 12.8192 12.8193 13.9929 13.9930 14.0198 14.0265 14.8426 14.8465 k = 0.1150 0.5000-0.0000 ( 2756 PWs) bands (ev): -46.0874 -46.0874 -22.8028 -22.8024 -22.1716 -22.1709 -22.1195 -22.1193 -14.2963 -14.2963 -6.6956 -6.6948 -5.8102 -5.8101 -5.6279 -5.6271 -0.7626 -0.7588 1.1338 1.1347 1.2629 1.2642 6.3528 6.3569 7.5047 7.5232 7.6123 7.6132 7.7014 7.7260 8.3494 8.3506 8.5856 8.5872 9.1305 9.1339 9.3581 9.3613 9.4051 9.4118 12.7751 12.7752 13.9920 13.9920 14.0183 14.0250 14.7986 14.8027 k = 0.1022 0.5000-0.0000 ( 2751 PWs) bands (ev): -46.0874 -46.0874 -22.8024 -22.8020 -22.1712 -22.1705 -22.1191 -22.1189 -14.2981 -14.2981 -6.7083 -6.7076 -5.8118 -5.8117 -5.6219 -5.6211 -0.7600 -0.7566 1.1359 1.1366 1.2709 1.2723 6.3569 6.3607 7.5396 7.5562 7.6120 7.6131 7.7563 7.7785 8.3712 8.3726 8.5592 8.5608 9.0634 9.0657 9.3843 9.3869 9.4358 9.4414 12.7344 12.7345 13.9913 13.9913 14.0176 14.0241 14.7555 14.7597 k = 0.0895 0.5000-0.0000 ( 2755 PWs) bands (ev): -46.0874 -46.0874 -22.8021 -22.8018 -22.1708 -22.1702 -22.1188 -22.1186 -14.2998 -14.2998 -6.7196 -6.7190 -5.8132 -5.8132 -5.6164 -5.6158 -0.7577 -0.7546 1.1375 1.1380 1.2785 1.2799 6.3606 6.3641 7.5650 7.5789 7.6119 7.6132 7.8184 7.8373 8.3909 8.3924 8.5355 8.5368 8.9950 8.9964 9.4085 9.4106 9.4663 9.4711 12.6974 12.6975 13.9908 13.9909 14.0176 14.0239 14.7142 14.7184 k = 0.0767 0.5000-0.0000 ( 2763 PWs) bands (ev): -46.0874 -46.0874 -22.8019 -22.8016 -22.1704 -22.1700 -22.1185 -22.1184 -14.3012 -14.3012 -6.7295 -6.7290 -5.8145 -5.8145 -5.6116 -5.6111 -0.7556 -0.7529 1.1388 1.1392 1.2855 1.2868 6.3640 6.3671 7.5826 7.5939 7.6121 7.6136 7.8849 7.9005 8.4081 8.4098 8.5145 8.5156 8.9262 8.9269 9.4302 9.4318 9.4957 9.4997 12.6645 12.6646 13.9905 13.9906 14.0182 14.0242 14.6757 14.6798 k = 0.0639 0.5000-0.0000 ( 2755 PWs) bands (ev): -46.0874 -46.0874 -22.8016 -22.8013 -22.1701 -22.1697 -22.1182 -22.1181 -14.3025 -14.3025 -6.7379 -6.7375 -5.8157 -5.8157 -5.6075 -5.6070 -0.7538 -0.7515 1.1399 1.1401 1.2917 1.2928 6.3670 6.3697 7.5942 7.6029 7.6132 7.6146 7.9531 7.9658 8.4228 8.4246 8.4965 8.4971 8.8581 8.8581 9.4492 9.4504 9.5227 9.5261 12.6360 12.6360 13.9904 13.9905 14.0194 14.0248 14.6410 14.6448 k = 0.0511 0.5000-0.0000 ( 2753 PWs) bands (ev): -46.0875 -46.0875 -22.8014 -22.8011 -22.1698 -22.1695 -22.1179 -22.1179 -14.3035 -14.3035 -6.7449 -6.7446 -5.8167 -5.8166 -5.6040 -5.6037 -0.7522 -0.7504 1.1406 1.1408 1.2970 1.2979 6.3696 6.3718 7.6010 7.6068 7.6160 7.6164 8.0205 8.0308 8.4348 8.4368 8.4814 8.4817 8.7915 8.7920 9.4651 9.4659 9.5464 9.5491 12.6122 12.6123 13.9903 13.9905 14.0209 14.0256 14.6110 14.6144 k = 0.0383 0.5000-0.0000 ( 2752 PWs) bands (ev): -46.0875 -46.0875 -22.8012 -22.8010 -22.1696 -22.1694 -22.1177 -22.1177 -14.3043 -14.3043 -6.7503 -6.7501 -5.8175 -5.8174 -5.6013 -5.6011 -0.7510 -0.7496 1.1412 1.1413 1.3012 1.3019 6.3717 6.3735 7.6045 7.6078 7.6188 7.6193 8.0844 8.0925 8.4438 8.4458 8.4693 8.4694 8.7295 8.7303 9.4777 9.4783 9.5660 9.5680 12.5934 12.5935 13.9903 13.9905 14.0225 14.0263 14.5867 14.5894 k = 0.0256 0.5000-0.0000 ( 2757 PWs) bands (ev): -46.0875 -46.0875 -22.8011 -22.8010 -22.1695 -22.1693 -22.1176 -22.1176 -14.3049 -14.3049 -6.7542 -6.7540 -5.8180 -5.8180 -5.5994 -5.5992 -0.7500 -0.7490 1.1416 1.1417 1.3043 1.3048 6.3734 6.3745 7.6062 7.6079 7.6210 7.6216 8.1406 8.1464 8.4492 8.4506 8.4609 8.4610 8.6764 8.6773 9.4868 9.4872 9.5805 9.5819 12.5799 12.5799 13.9904 13.9905 14.0242 14.0268 14.5689 14.5708 k = 0.0128 0.5000-0.0000 ( 2753 PWs) bands (ev): -46.0875 -46.0875 -22.8010 -22.8009 -22.1693 -22.1693 -22.1175 -22.1175 -14.3053 -14.3053 -6.7565 -6.7564 -5.8184 -5.8184 -5.5982 -5.5981 -0.7493 -0.7488 1.1418 1.1419 1.3063 1.3065 6.3745 6.3751 7.6071 7.6078 7.6224 7.6228 8.1820 8.1851 8.4489 8.4490 8.4582 8.4591 8.6390 8.6395 9.4924 9.4926 9.5897 9.5904 12.5716 12.5716 13.9904 13.9905 14.0255 14.0269 14.5581 14.5591 k = 0.0000 0.5000-0.0000 ( 2750 PWs) bands (ev): -46.0875 -46.0875 -22.8009 -22.8009 -22.1693 -22.1693 -22.1175 -22.1175 -14.3054 -14.3054 -6.7573 -6.7573 -5.8185 -5.8185 -5.5978 -5.5978 -0.7489 -0.7489 1.1419 1.1419 1.3070 1.3070 6.3751 6.3751 7.6075 7.6075 7.6231 7.6231 8.1987 8.1987 8.4472 8.4472 8.4589 8.4589 8.6253 8.6253 9.4943 9.4943 9.5930 9.5930 12.5689 12.5689 13.9905 13.9905 14.0265 14.0265 14.5548 14.5548 k = 0.0000 0.5000-0.0000 ( 2750 PWs) bands (ev): -46.0875 -46.0875 -22.8009 -22.8009 -22.1693 -22.1693 -22.1175 -22.1175 -14.3054 -14.3054 -6.7573 -6.7573 -5.8185 -5.8185 -5.5978 -5.5978 -0.7489 -0.7489 1.1419 1.1419 1.3070 1.3070 6.3751 6.3751 7.6075 7.6075 7.6231 7.6231 8.1987 8.1987 8.4472 8.4472 8.4589 8.4589 8.6253 8.6253 9.4943 9.4943 9.5930 9.5930 12.5689 12.5689 13.9905 13.9905 14.0265 14.0265 14.5548 14.5548 k = 0.0000 0.5000 0.0126 ( 2752 PWs) bands (ev): -46.0875 -46.0875 -22.8010 -22.8009 -22.1693 -22.1693 -22.1176 -22.1175 -14.3052 -14.3052 -6.7566 -6.7564 -5.8184 -5.8182 -5.5983 -5.5980 -0.7505 -0.7477 1.1395 1.1441 1.3057 1.3070 6.3745 6.3751 7.6032 7.6100 7.6205 7.6271 8.1908 8.2015 8.3787 8.3913 8.4982 8.5385 8.6105 8.6512 9.4777 9.4936 9.5888 9.6055 12.5698 12.5717 13.9889 13.9915 14.0253 14.0278 14.5580 14.5591 k = 0.0000 0.5000 0.0252 ( 2752 PWs) bands (ev): -46.0875 -46.0875 -22.8011 -22.8009 -22.1693 -22.1692 -22.1178 -22.1176 -14.3049 -14.3049 -6.7545 -6.7541 -5.8180 -5.8175 -5.5995 -5.5990 -0.7524 -0.7468 1.1369 1.1461 1.3030 1.3057 6.3733 6.3746 7.5981 7.6083 7.6216 7.6313 8.1724 8.1999 8.3019 8.3406 8.5344 8.5943 8.6247 8.6939 9.4506 9.4747 9.5940 9.6197 12.5744 12.5781 13.9870 13.9919 14.0243 14.0291 14.5685 14.5705 k = 0.0000 0.5000 0.0378 ( 2752 PWs) bands (ev): -46.0875 -46.0875 -22.8012 -22.8010 -22.1694 -22.1692 -22.1181 -22.1178 -14.3043 -14.3043 -6.7508 -6.7503 -5.8173 -5.8165 -5.6014 -5.6006 -0.7547 -0.7464 1.1341 1.1479 1.2991 1.3032 6.3715 6.3734 7.5926 7.6039 7.6246 7.6353 8.1360 8.1823 8.2406 8.3060 8.5559 8.5892 8.7020 8.7521 9.4172 9.4445 9.6019 9.6315 12.5829 12.5884 13.9849 13.9918 14.0236 14.0304 14.5858 14.5888 k = 0.0000 0.5000 0.0504 ( 2754 PWs) bands (ev): -46.0874 -46.0874 -22.8014 -22.8011 -22.1694 -22.1692 -22.1185 -22.1182 -14.3034 -14.3034 -6.7457 -6.7450 -5.8162 -5.8152 -5.6040 -5.6030 -0.7573 -0.7463 1.1311 1.1494 1.2940 1.2994 6.3693 6.3718 7.5864 7.5984 7.6278 7.6387 8.0816 8.1227 8.2215 8.2887 8.5690 8.5833 8.7813 8.8191 9.3797 9.4082 9.6079 9.6394 12.5953 12.6024 13.9828 13.9913 14.0232 14.0316 14.6093 14.6130 k = 0.0000 0.5000 0.0630 ( 2752 PWs) bands (ev): -46.0874 -46.0874 -22.8016 -22.8012 -22.1695 -22.1692 -22.1190 -22.1186 -14.3024 -14.3024 -6.7391 -6.7382 -5.8148 -5.8135 -5.6073 -5.6061 -0.7601 -0.7465 1.1280 1.1506 1.2878 1.2945 6.3666 6.3696 7.5792 7.5919 7.6305 7.6414 8.0167 8.0487 8.2175 8.2816 8.5785 8.5790 8.8600 8.8901 9.3394 9.3683 9.6103 9.6427 12.6118 12.6203 13.9810 13.9907 14.0231 14.0327 14.6381 14.6424 k = 0.0000 0.5000 0.0756 ( 2754 PWs) bands (ev): -46.0874 -46.0874 -22.8018 -22.8014 -22.1695 -22.1692 -22.1196 -22.1191 -14.3011 -14.3011 -6.7311 -6.7300 -5.8131 -5.8116 -5.6113 -5.6098 -0.7633 -0.7472 1.1247 1.1515 1.2806 1.2885 6.3634 6.3669 7.5703 7.5838 7.6322 7.6431 7.9475 7.9741 8.2150 8.2782 8.5769 8.5871 8.9378 8.9625 9.2973 9.3263 9.6084 9.6412 12.6323 12.6423 13.9796 13.9903 14.0233 14.0338 14.6712 14.6760 k = 0.0000 0.5000 0.0883 ( 2762 PWs) bands (ev): -46.0874 -46.0874 -22.8022 -22.8017 -22.1696 -22.1693 -22.1204 -22.1198 -14.2996 -14.2996 -6.7218 -6.7205 -5.8111 -5.8093 -5.6159 -5.6142 -0.7668 -0.7483 1.1211 1.1520 1.2725 1.2816 6.3599 6.3637 7.5587 7.5734 7.6331 7.6436 7.8773 7.9020 8.2117 8.2751 8.5778 8.5965 9.0143 9.0350 9.2544 9.2834 9.6020 9.6350 12.6571 12.6682 13.9788 13.9904 14.0236 14.0350 14.7076 14.7128 k = 0.0000 0.5000 0.1009 ( 2758 PWs) bands (ev): -46.0874 -46.0874 -22.8025 -22.8019 -22.1697 -22.1693 -22.1212 -22.1205 -14.2978 -14.2978 -6.7111 -6.7096 -5.8088 -5.8068 -5.6212 -5.6192 -0.7704 -0.7497 1.1174 1.1520 1.2637 1.2738 6.3560 6.3602 7.5424 7.5592 7.6329 7.6429 7.8089 7.8341 8.2064 8.2702 8.5826 8.6075 9.0891 9.1065 9.2117 9.2412 9.5914 9.6244 12.6860 12.6981 13.9788 13.9912 14.0241 14.0363 14.7462 14.7517 k = 0.0000 0.5000 0.1135 ( 2758 PWs) bands (ev): -46.0873 -46.0873 -22.8028 -22.8022 -22.1698 -22.1693 -22.1220 -22.1212 -14.2959 -14.2959 -6.6991 -6.6974 -5.8063 -5.8040 -5.6270 -5.6248 -0.7743 -0.7515 1.1133 1.1513 1.2546 1.2654 6.3518 6.3562 7.5192 7.5385 7.6319 7.6410 7.7448 7.7723 8.1986 8.2621 8.5919 8.6210 9.1582 9.1707 9.1737 9.2067 9.5770 9.6097 12.7190 12.7319 13.9796 13.9928 14.0246 14.0378 14.7860 14.7918 k = 0.0000 0.5000 0.1261 ( 2754 PWs) bands (ev): -46.0873 -46.0873 -22.8032 -22.8025 -22.1698 -22.1693 -22.1229 -22.1221 -14.2938 -14.2938 -6.6859 -6.6840 -5.8035 -5.8011 -5.6334 -5.6310 -0.7785 -0.7537 1.1090 1.1497 1.2453 1.2565 6.3473 6.3520 7.4866 7.5080 7.6303 7.6378 7.6888 7.7184 8.1879 8.2503 8.6058 8.6374 9.1293 9.1533 9.2363 9.2518 9.5591 9.5916 12.7558 12.7695 13.9813 13.9955 14.0253 14.0395 14.8262 14.8321 k = 0.0000 0.5000 0.1387 ( 2748 PWs) bands (ev): -46.0873 -46.0873 -22.8035 -22.8028 -22.1699 -22.1693 -22.1239 -22.1230 -14.2915 -14.2915 -6.6715 -6.6694 -5.8006 -5.7979 -5.6402 -5.6377 -0.7828 -0.7562 1.1043 1.1469 1.2363 1.2473 6.3427 6.3475 7.4436 7.4652 7.6274 7.6296 7.6473 7.6732 8.1743 8.2347 8.6243 8.6568 9.0921 9.1174 9.3056 9.3188 9.5383 9.5705 12.7964 12.8106 13.9839 13.9993 14.0260 14.0415 14.8659 14.8720 k = 0.0000 0.5000 0.1513 ( 2754 PWs) bands (ev): -46.0873 -46.0873 -22.8040 -22.8032 -22.1700 -22.1694 -22.1250 -22.1240 -14.2891 -14.2891 -6.6560 -6.6537 -5.7975 -5.7946 -5.6476 -5.6448 -0.7872 -0.7590 1.0990 1.1427 1.2281 1.2381 6.3378 6.3427 7.3915 7.4113 7.5983 7.6185 7.6353 7.6413 8.1576 8.2154 8.6468 8.6791 9.0580 9.0836 9.3731 9.3848 9.5153 9.5472 12.8404 12.8550 13.9873 14.0043 14.0268 14.0441 14.9044 14.9106 k = 0.0000 0.5000 0.1639 ( 2754 PWs) bands (ev): -46.0872 -46.0872 -22.8044 -22.8036 -22.1701 -22.1695 -22.1261 -22.1251 -14.2865 -14.2865 -6.6394 -6.6370 -5.7943 -5.7911 -5.6553 -5.6524 -0.7918 -0.7622 1.0932 1.1366 1.2210 1.2291 6.3328 6.3378 7.3331 7.3502 7.5634 7.5876 7.6306 7.6343 8.1382 8.1930 8.6728 8.7043 9.0276 9.0537 9.4378 9.4486 9.4907 9.5230 12.8874 12.9024 13.9914 14.0105 14.0277 14.0472 14.9411 14.9475 k = 0.0000 0.5000 0.1765 ( 2754 PWs) bands (ev): -46.0872 -46.0872 -22.8049 -22.8040 -22.1702 -22.1696 -22.1272 -22.1262 -14.2838 -14.2837 -6.6220 -6.6194 -5.7909 -5.7876 -5.6635 -5.6604 -0.7965 -0.7657 1.0866 1.1285 1.2154 1.2205 6.3277 6.3326 7.2713 7.2857 7.5274 7.5500 7.6290 7.6321 8.1163 8.1679 8.7015 8.7318 9.0013 9.0281 9.4640 9.4858 9.5070 9.5169 12.9372 12.9525 13.9961 14.0178 14.0291 14.0513 14.9757 14.9822 k = 0.0000 0.5000 0.1891 ( 2754 PWs) bands (ev): -46.0871 -46.0871 -22.8054 -22.8045 -22.1704 -22.1697 -22.1284 -22.1273 -14.2809 -14.2809 -6.6036 -6.6008 -5.7876 -5.7841 -5.6719 -5.6688 -0.8012 -0.7695 1.0792 1.1185 1.2111 1.2130 6.3224 6.3273 7.2079 7.2199 7.4888 7.5094 7.6285 7.6309 8.0923 8.1406 8.7321 8.7613 8.9789 9.0071 9.4384 9.4659 9.5649 9.5727 12.9894 13.0047 14.0010 14.0248 14.0322 14.0565 15.0079 15.0144 k = 0.0000 0.5000 0.2017 ( 2752 PWs) bands (ev): -46.0871 -46.0871 -22.8059 -22.8050 -22.1705 -22.1698 -22.1296 -22.1284 -14.2780 -14.2780 -6.5845 -6.5815 -5.7842 -5.7805 -5.6806 -5.6774 -0.8060 -0.7735 1.0709 1.1069 1.2052 1.2092 6.3170 6.3218 7.1441 7.1541 7.4469 7.4656 7.6285 7.6303 8.0664 8.1115 8.7635 8.7924 8.9605 8.9910 9.4129 9.4404 9.6227 9.6300 13.0435 13.0590 14.0060 14.0281 14.0405 14.0633 15.0373 15.0440 k = 0.0000 0.5000 0.2143 ( 2750 PWs) bands (ev): -46.0871 -46.0871 -22.8064 -22.8054 -22.1707 -22.1699 -22.1307 -22.1296 -14.2749 -14.2749 -6.5647 -6.5615 -5.7809 -5.7770 -5.6895 -5.6862 -0.8108 -0.7778 1.0617 1.0940 1.1993 1.2076 6.3115 6.3161 7.0807 7.0891 7.4013 7.4184 7.6289 7.6302 8.0391 8.0811 8.7943 8.8246 8.9457 8.9801 9.3887 9.4155 9.6783 9.6850 13.0992 13.1147 14.0106 14.0295 14.0521 14.0718 15.0640 15.0708 k = 0.0000 0.5000 0.2269 ( 2748 PWs) bands (ev): -46.0870 -46.0870 -22.8069 -22.8059 -22.1709 -22.1700 -22.1319 -22.1307 -14.2719 -14.2719 -6.5444 -6.5409 -5.7777 -5.7737 -5.6985 -5.6952 -0.8156 -0.7823 1.0516 1.0801 1.1944 1.2070 6.3058 6.3102 7.0184 7.0255 7.3525 7.3682 7.6295 7.6305 8.0108 8.0498 8.8224 8.8566 8.9348 8.9751 9.3664 9.3925 9.7312 9.7375 13.1561 13.1715 14.0148 14.0306 14.0656 14.0822 15.0880 15.0949 k = 0.0000 0.5000 0.2395 ( 2750 PWs) bands (ev): -46.0870 -46.0870 -22.8075 -22.8065 -22.1711 -22.1702 -22.1331 -22.1319 -14.2687 -14.2687 -6.5235 -6.5199 -5.7746 -5.7705 -5.7075 -5.7042 -0.8204 -0.7869 1.0407 1.0657 1.1906 1.2071 6.2999 6.3042 6.9575 6.9634 7.3009 7.3152 7.6304 7.6312 7.9816 8.0178 8.8448 8.8841 8.9312 8.9776 9.3470 9.3723 9.7815 9.7874 13.2138 13.2292 14.0183 14.0316 14.0805 14.0946 15.1093 15.1163 k = 0.0000 0.5000 0.2522 ( 2746 PWs) bands (ev): -46.0869 -46.0869 -22.8080 -22.8070 -22.1713 -22.1704 -22.1342 -22.1330 -14.2656 -14.2656 -6.5023 -6.4985 -5.7718 -5.7675 -5.7164 -5.7132 -0.8251 -0.7917 1.0292 1.0510 1.1878 1.2076 6.2938 6.2978 6.8982 6.9032 7.2471 7.2602 7.6315 7.6323 7.9520 7.9855 8.8586 8.8933 8.9473 8.9893 9.3311 9.3555 9.8289 9.8346 13.2719 13.2872 14.0214 14.0325 14.0968 14.1088 15.1279 15.1351 k = 0.0000 0.5000 0.2648 ( 2744 PWs) bands (ev): -46.0869 -46.0869 -22.8085 -22.8075 -22.1716 -22.1707 -22.1353 -22.1341 -14.2624 -14.2624 -6.4808 -6.4768 -5.7694 -5.7650 -5.7251 -5.7221 -0.8297 -0.7966 1.0172 1.0361 1.1860 1.2085 6.2874 6.2912 6.8410 6.8452 7.1919 7.2039 7.6327 7.6335 7.9223 7.9532 8.8631 8.8875 8.9786 9.0095 9.3192 9.3429 9.8736 9.8790 13.3301 13.3452 14.0240 14.0335 14.1143 14.1247 15.1442 15.1514 k = 0.0000 0.5000 0.2774 ( 2742 PWs) bands (ev): -46.0868 -46.0868 -22.8090 -22.8080 -22.1718 -22.1709 -22.1364 -22.1352 -14.2593 -14.2593 -6.4592 -6.4551 -5.7677 -5.7631 -5.7332 -5.7306 -0.8341 -0.8016 1.0049 1.0214 1.1851 1.2096 6.2805 6.2841 6.7859 6.7895 7.1360 7.1470 7.6340 7.6350 7.8926 7.9211 8.8604 8.8772 9.0132 9.0356 9.3117 9.3351 9.9155 9.9207 13.3881 13.4030 14.0262 14.0344 14.1329 14.1420 15.1581 15.1654 k = 0.0000 0.5000 0.2900 ( 2736 PWs) bands (ev): -46.0868 -46.0868 -22.8095 -22.8085 -22.1721 -22.1711 -22.1374 -22.1363 -14.2562 -14.2562 -6.4376 -6.4333 -5.7671 -5.7623 -5.7402 -5.7381 -0.8385 -0.8066 0.9926 1.0068 1.1849 1.2110 6.2732 6.2765 6.7332 6.7363 7.0802 7.0901 7.6354 7.6365 7.8632 7.8894 8.8526 8.8646 9.0476 9.0652 9.3085 9.3324 9.9546 9.9597 13.4454 13.4600 14.0282 14.0353 14.1525 14.1605 15.1699 15.1772 k = 0.0000 0.5000 0.3026 ( 2736 PWs) bands (ev): -46.0868 -46.0868 -22.8100 -22.8091 -22.1724 -22.1714 -22.1384 -22.1373 -14.2531 -14.2531 -6.4161 -6.4116 -5.7688 -5.7632 -5.7460 -5.7432 -0.8426 -0.8116 0.9802 0.9926 1.1854 1.2125 6.2653 6.2683 6.6831 6.6859 7.0252 7.0340 7.6367 7.6382 7.8345 7.8583 8.8414 8.8500 9.0806 9.0967 9.3094 9.3346 9.9910 9.9960 13.5017 13.5161 14.0300 14.0361 14.1728 14.1799 15.1797 15.1871 k = 0.0000 0.5000 0.3152 ( 2736 PWs) bands (ev): -46.0867 -46.0867 -22.8105 -22.8096 -22.1727 -22.1718 -22.1394 -22.1383 -14.2501 -14.2501 -6.3948 -6.3902 -5.7731 -5.7669 -5.7493 -5.7452 -0.8465 -0.8166 0.9681 0.9788 1.1865 1.2140 6.2566 6.2594 6.6357 6.6384 6.9716 6.9794 7.6381 7.6398 7.8067 7.8282 8.8276 8.8340 9.1116 9.1290 9.3140 9.3412 10.0246 10.0295 13.5568 13.5708 14.0315 14.0370 14.1937 14.2000 15.1878 15.1951 k = 0.0000 0.5000 0.3278 ( 2736 PWs) bands (ev): -46.0867 -46.0867 -22.8110 -22.8101 -22.1730 -22.1721 -22.1402 -22.1392 -14.2472 -14.2472 -6.3739 -6.3692 -5.7794 -5.7729 -5.7503 -5.7456 -0.8502 -0.8216 0.9563 0.9656 1.1880 1.2155 6.2471 6.2496 6.5912 6.5941 6.9200 6.9268 7.6392 7.6413 7.7800 7.7993 8.8120 8.8168 9.1407 9.1608 9.3221 9.3517 10.0557 10.0604 13.6102 13.6238 14.0330 14.0378 14.2149 14.2206 15.1942 15.2015 k = 0.0000 0.5000 0.3404 ( 2734 PWs) bands (ev): -46.0866 -46.0866 -22.8114 -22.8106 -22.1734 -22.1725 -22.1410 -22.1400 -14.2444 -14.2444 -6.3535 -6.3487 -5.7863 -5.7799 -5.7501 -5.7453 -0.8537 -0.8264 0.9449 0.9530 1.1899 1.2171 6.2364 6.2388 6.5500 6.5532 6.8709 6.8768 7.6401 7.6427 7.7547 7.7717 8.7954 8.7989 9.1682 9.1912 9.3330 9.3650 10.0841 10.0887 13.6617 13.6749 14.0343 14.0386 14.2363 14.2414 15.1992 15.2064 k = 0.0000 0.5000 0.3530 ( 2738 PWs) bands (ev): -46.0866 -46.0866 -22.8119 -22.8111 -22.1737 -22.1728 -22.1418 -22.1408 -14.2418 -14.2418 -6.3338 -6.3290 -5.7934 -5.7871 -5.7497 -5.7449 -0.8568 -0.8311 0.9341 0.9410 1.1921 1.2185 6.2246 6.2269 6.5122 6.5158 6.8249 6.8298 7.6403 7.6437 7.7313 7.7459 8.7781 8.7807 9.1940 9.2196 9.3464 9.3803 10.1100 10.1144 13.7110 13.7237 14.0355 14.0394 14.2575 14.2621 15.2030 15.2100 k = 0.0000 0.5000 0.3656 ( 2740 PWs) bands (ev): -46.0866 -46.0866 -22.8123 -22.8116 -22.1741 -22.1732 -22.1424 -22.1415 -14.2393 -14.2393 -6.3148 -6.3100 -5.8002 -5.7942 -5.7492 -5.7445 -0.8597 -0.8357 0.9239 0.9299 1.1945 1.2199 6.2116 6.2139 6.4779 6.4820 6.7823 6.7864 7.6394 7.6440 7.7105 7.7223 8.7608 8.7628 9.2182 9.2455 9.3619 9.3968 10.1334 10.1377 13.7577 13.7699 14.0366 14.0402 14.2783 14.2825 15.2056 15.2124 k = 0.0000 0.5000 0.3782 ( 2748 PWs) bands (ev): -46.0865 -46.0865 -22.8127 -22.8120 -22.1744 -22.1737 -22.1431 -22.1422 -14.2369 -14.2369 -6.2967 -6.2920 -5.8067 -5.8008 -5.7489 -5.7444 -0.8623 -0.8401 0.9143 0.9195 1.1971 1.2211 6.1975 6.1998 6.4474 6.4519 6.7434 6.7467 7.6365 7.6429 7.6932 7.7017 8.7439 8.7454 9.2408 9.2687 9.3787 9.4137 10.1545 10.1586 13.8017 13.8133 14.0376 14.0409 14.2984 14.3022 15.2074 15.2139 k = 0.0000 0.5000 0.3908 ( 2750 PWs) bands (ev): -46.0865 -46.0865 -22.8131 -22.8125 -22.1748 -22.1740 -22.1436 -22.1428 -14.2347 -14.2347 -6.2798 -6.2752 -5.8128 -5.8071 -5.7488 -5.7444 -0.8645 -0.8442 0.9056 0.9100 1.1998 1.2221 6.1825 6.1848 6.4207 6.4253 6.7085 6.7110 7.6303 7.6391 7.6806 7.6857 8.7276 8.7289 9.2617 9.2892 9.3964 9.4303 10.1734 10.1771 13.8425 13.8534 14.0385 14.0417 14.3177 14.3210 15.2083 15.2145 k = 0.0000 0.5000 0.4034 ( 2734 PWs) bands (ev): -46.0865 -46.0865 -22.8133 -22.8128 -22.1750 -22.1743 -22.1440 -22.1433 -14.2327 -14.2327 -6.2640 -6.2596 -5.8183 -5.8129 -5.7488 -5.7447 -0.8665 -0.8481 0.8976 0.9014 1.2025 1.2230 6.1670 6.1693 6.3975 6.4022 6.6776 6.6796 7.6207 7.6310 7.6731 7.6760 8.7125 8.7135 9.2809 9.3069 9.4143 9.4461 10.1900 10.1935 13.8799 13.8902 14.0393 14.0424 14.3357 14.3387 15.2087 15.2144 k = 0.0000 0.5000 0.4160 ( 2728 PWs) bands (ev): -46.0865 -46.0865 -22.8136 -22.8131 -22.1752 -22.1746 -22.1444 -22.1438 -14.2309 -14.2309 -6.2496 -6.2455 -5.8232 -5.8181 -5.7489 -5.7452 -0.8680 -0.8518 0.8906 0.8938 1.2053 1.2237 6.1517 6.1538 6.3777 6.3823 6.6509 6.6523 7.6093 7.6193 7.6694 7.6715 8.6986 8.6995 9.2982 9.3221 9.4317 9.4606 10.2045 10.2076 13.9136 13.9232 14.0400 14.0432 14.3523 14.3550 15.2086 15.2139 k = 0.0000 0.5000 0.4287 ( 2724 PWs) bands (ev): -46.0864 -46.0864 -22.8138 -22.8134 -22.1755 -22.1749 -22.1447 -22.1441 -14.2294 -14.2294 -6.2367 -6.2329 -5.8274 -5.8228 -5.7492 -5.7458 -0.8692 -0.8552 0.8844 0.8870 1.2079 1.2241 6.1370 6.1389 6.3610 6.3653 6.6281 6.6291 7.5977 7.6067 7.6680 7.6698 8.6861 8.6870 9.3138 9.3349 9.4481 9.4736 10.2169 10.2197 13.9434 13.9522 14.0407 14.0440 14.3673 14.3695 15.2083 15.2129 k = 0.0000 0.5000 0.4413 ( 2728 PWs) bands (ev): -46.0864 -46.0864 -22.8140 -22.8137 -22.1757 -22.1752 -22.1449 -22.1445 -14.2280 -14.2280 -6.2254 -6.2221 -5.8309 -5.8269 -5.7494 -5.7465 -0.8701 -0.8583 0.8791 0.8813 1.2105 1.2242 6.1235 6.1252 6.3472 6.3510 6.6093 6.6100 7.5872 7.5947 7.6678 7.6691 8.6754 8.6761 9.3273 9.3453 9.4629 9.4846 10.2274 10.2297 13.9690 13.9771 14.0413 14.0448 14.3803 14.3822 15.2078 15.2118 k = 0.0000 0.5000 0.4539 ( 2728 PWs) bands (ev): -46.0864 -46.0864 -22.8142 -22.8139 -22.1758 -22.1755 -22.1452 -22.1448 -14.2269 -14.2269 -6.2159 -6.2131 -5.8338 -5.8304 -5.7497 -5.7473 -0.8705 -0.8610 0.8748 0.8765 1.2130 1.2240 6.1117 6.1131 6.3362 6.3394 6.5943 6.5947 7.5783 7.5843 7.6680 7.6690 8.6665 8.6671 9.3389 9.3535 9.4759 9.4935 10.2359 10.2378 13.9901 13.9974 14.0420 14.0458 14.3914 14.3929 15.2072 15.2105 k = 0.0000 0.5000 0.4665 ( 2724 PWs) bands (ev): -46.0864 -46.0864 -22.8143 -22.8141 -22.1759 -22.1757 -22.1453 -22.1450 -14.2260 -14.2260 -6.2083 -6.2061 -5.8359 -5.8332 -5.7499 -5.7480 -0.8706 -0.8635 0.8715 0.8727 1.2152 1.2236 6.1021 6.1032 6.3278 6.3303 6.5828 6.5831 7.5713 7.5758 7.6683 7.6691 8.6594 8.6599 9.3484 9.3594 9.4867 9.5001 10.2425 10.2440 14.0064 14.0128 14.0430 14.0470 14.4001 14.4013 15.2068 15.2093 k = 0.0000 0.5000 0.4791 ( 2732 PWs) bands (ev): -46.0864 -46.0864 -22.8144 -22.8142 -22.1761 -22.1759 -22.1454 -22.1453 -14.2254 -14.2254 -6.2027 -6.2012 -5.8372 -5.8354 -5.7499 -5.7487 -0.8704 -0.8656 0.8692 0.8700 1.2173 1.2229 6.0951 6.0958 6.3219 6.3236 6.5748 6.5749 7.5664 7.5694 7.6687 7.6692 8.6544 8.6547 9.3557 9.3631 9.4952 9.5042 10.2473 10.2483 14.0178 14.0229 14.0446 14.0482 14.4066 14.4073 15.2066 15.2083 k = 0.0000 0.5000 0.4917 ( 2732 PWs) bands (ev): -46.0864 -46.0864 -22.8144 -22.8144 -22.1761 -22.1760 -22.1455 -22.1454 -14.2250 -14.2250 -6.1991 -6.1983 -5.8378 -5.8369 -5.7499 -5.7492 -0.8697 -0.8673 0.8679 0.8683 1.2191 1.2219 6.0908 6.0912 6.3186 6.3194 6.5700 6.5701 7.5637 7.5652 7.6690 7.6692 8.6514 8.6515 9.3609 9.3646 9.5013 9.5058 10.2503 10.2508 14.0248 14.0276 14.0469 14.0490 14.4105 14.4109 15.2065 15.2074 k = 0.0000 0.5000 0.5043 ( 2732 PWs) bands (ev): -46.0864 -46.0864 -22.8144 -22.8144 -22.1761 -22.1761 -22.1454 -22.1454 -14.2249 -14.2249 -6.1977 -6.1977 -5.8377 -5.8377 -5.7496 -5.7496 -0.8687 -0.8687 0.8675 0.8675 1.2206 1.2206 6.0895 6.0895 6.3178 6.3178 6.5685 6.5685 7.5633 7.5633 7.6691 7.6691 8.6504 8.6504 9.3639 9.3639 9.5048 9.5048 10.2514 10.2514 14.0280 14.0280 14.0487 14.0487 14.4120 14.4120 15.2068 15.2068 k = 0.0000 0.5000 0.5043 ( 2732 PWs) bands (ev): -46.0864 -46.0864 -22.8144 -22.8144 -22.1761 -22.1761 -22.1454 -22.1454 -14.2249 -14.2249 -6.1977 -6.1977 -5.8377 -5.8377 -5.7496 -5.7496 -0.8687 -0.8687 0.8675 0.8675 1.2206 1.2206 6.0895 6.0895 6.3178 6.3178 6.5685 6.5685 7.5633 7.5633 7.6691 7.6691 8.6504 8.6504 9.3639 9.3639 9.5048 9.5048 10.2514 10.2514 14.0280 14.0280 14.0487 14.0487 14.4120 14.4120 15.2068 15.2068 k = 0.0128 0.5000 0.5043 ( 2732 PWs) bands (ev): -46.0864 -46.0864 -22.8145 -22.8144 -22.1761 -22.1760 -22.1455 -22.1455 -14.2248 -14.2248 -6.1969 -6.1968 -5.8375 -5.8374 -5.7495 -5.7492 -0.8714 -0.8681 0.8662 0.8664 1.2162 1.2208 6.0895 6.0895 6.3203 6.3213 6.5685 6.5685 7.5642 7.5643 7.6694 7.6705 8.6456 8.6458 9.3647 9.3652 9.5054 9.5056 10.2515 10.2515 14.0283 14.0292 14.0491 14.0495 14.4124 14.4124 15.2118 15.2127 k = 0.0256 0.5000 0.5043 ( 2734 PWs) bands (ev): -46.0864 -46.0864 -22.8146 -22.8144 -22.1761 -22.1760 -22.1457 -22.1456 -14.2245 -14.2245 -6.1946 -6.1943 -5.8367 -5.8366 -5.7489 -5.7483 -0.8763 -0.8697 0.8623 0.8628 1.2075 1.2168 6.0895 6.0896 6.3289 6.3308 6.5685 6.5685 7.5669 7.5672 7.6714 7.6736 8.6313 8.6319 9.3678 9.3688 9.5072 9.5078 10.2518 10.2518 14.0301 14.0319 14.0507 14.0515 14.4135 14.4135 15.2275 15.2294 k = 0.0383 0.5000 0.5043 ( 2732 PWs) bands (ev): -46.0864 -46.0864 -22.8147 -22.8145 -22.1761 -22.1760 -22.1459 -22.1459 -14.2240 -14.2240 -6.1906 -6.1903 -5.8354 -5.8353 -5.7478 -5.7470 -0.8833 -0.8735 0.8559 0.8567 1.1947 1.2085 6.0895 6.0896 6.3435 6.3462 6.5686 6.5686 7.5714 7.5718 7.6751 7.6783 8.6080 8.6088 9.3730 9.3745 9.5104 9.5112 10.2523 10.2524 14.0334 14.0362 14.0538 14.0548 14.4153 14.4153 15.2538 15.2565 k = 0.0511 0.5000 0.5043 ( 2740 PWs) bands (ev): -46.0864 -46.0864 -22.8149 -22.8147 -22.1762 -22.1760 -22.1464 -22.1463 -14.2233 -14.2233 -6.1851 -6.1847 -5.8335 -5.8334 -5.7462 -5.7451 -0.8924 -0.8794 0.8472 0.8482 1.1780 1.1962 6.0896 6.0897 6.3638 6.3673 6.5687 6.5687 7.5774 7.5780 7.6805 7.6847 8.5760 8.5770 9.3804 9.3823 9.5150 9.5160 10.2531 10.2531 14.0382 14.0419 14.0583 14.0594 14.4179 14.4179 15.2901 15.2935 k = 0.0639 0.5000 0.5043 ( 2740 PWs) bands (ev): -46.0863 -46.0863 -22.8151 -22.8148 -22.1762 -22.1760 -22.1468 -22.1467 -14.2224 -14.2224 -6.1781 -6.1776 -5.8312 -5.8310 -5.7441 -5.7427 -0.9035 -0.8874 0.8361 0.8374 1.1575 1.1799 6.0896 6.0897 6.3898 6.3938 6.5688 6.5688 7.5847 7.5857 7.6876 7.6927 8.5359 8.5370 9.3900 9.3923 9.5209 9.5221 10.2540 10.2540 14.0443 14.0490 14.0644 14.0655 14.4212 14.4212 15.3358 15.3399 k = 0.0767 0.5000 0.5043 ( 2738 PWs) bands (ev): -46.0863 -46.0863 -22.8153 -22.8150 -22.1762 -22.1760 -22.1473 -22.1472 -14.2213 -14.2213 -6.1696 -6.1689 -5.8284 -5.8282 -5.7415 -5.7399 -0.9165 -0.8974 0.8228 0.8244 1.1335 1.1600 6.0896 6.0898 6.4211 6.4254 6.5689 6.5690 7.5931 7.5945 7.6964 7.7024 8.4883 8.4895 9.4016 9.4043 9.5283 9.5295 10.2551 10.2552 14.0520 14.0576 14.0721 14.0731 14.4252 14.4252 15.3902 15.3948 k = 0.0895 0.5000 0.5043 ( 2740 PWs) bands (ev): -46.0863 -46.0863 -22.8156 -22.8152 -22.1763 -22.1760 -22.1479 -22.1478 -14.2200 -14.2200 -6.1596 -6.1589 -5.8250 -5.8248 -5.7385 -5.7366 -0.9314 -0.9094 0.8073 0.8092 1.1062 1.1366 6.0896 6.0898 6.4573 6.4618 6.5691 6.5693 7.6022 7.6043 7.7069 7.7136 8.4339 8.4352 9.4153 9.4184 9.5371 9.5385 10.2564 10.2565 14.0610 14.0674 14.0814 14.0824 14.4299 14.4299 15.4525 15.4575 k = 0.1022 0.5000 0.5043 ( 2740 PWs) bands (ev): -46.0863 -46.0863 -22.8159 -22.8155 -22.1763 -22.1760 -22.1486 -22.1485 -14.2186 -14.2186 -6.1483 -6.1474 -5.8213 -5.8210 -5.7351 -5.7329 -0.9479 -0.9232 0.7898 0.7920 1.0761 1.1099 6.0895 6.0898 6.4981 6.5024 6.5693 6.5698 7.6117 7.6145 7.7190 7.7264 8.3736 8.3749 9.4311 9.4344 9.5474 9.5489 10.2579 10.2580 14.0715 14.0786 14.0924 14.0933 14.4352 14.4352 15.5219 15.5271 k = 0.1150 0.5000 0.5043 ( 2740 PWs) bands (ev): -46.0863 -46.0863 -22.8162 -22.8158 -22.1764 -22.1761 -22.1494 -22.1492 -14.2170 -14.2170 -6.1356 -6.1346 -5.8170 -5.8167 -5.7312 -5.7287 -0.9661 -0.9388 0.7704 0.7729 1.0433 1.0804 6.0894 6.0897 6.5432 6.5457 6.5695 6.5716 7.6212 7.6250 7.7326 7.7405 8.3082 8.3096 9.4488 9.4525 9.5593 9.5609 10.2596 10.2596 14.0835 14.0910 14.1049 14.1058 14.4412 14.4412 15.5972 15.6027 k = 0.1278 0.5000 0.5043 ( 2744 PWs) bands (ev): -46.0862 -46.0862 -22.8166 -22.8161 -22.1765 -22.1761 -22.1502 -22.1500 -14.2152 -14.2152 -6.1216 -6.1205 -5.8124 -5.8120 -5.7269 -5.7242 -0.9857 -0.9561 0.7494 0.7521 1.0082 1.0484 6.0893 6.0896 6.5674 6.5696 6.5922 6.5986 7.6303 7.6353 7.7473 7.7557 8.2389 8.2402 9.4686 9.4724 9.5729 9.5745 10.2614 10.2615 14.0970 14.1048 14.1190 14.1199 14.4477 14.4477 15.6777 15.6833 k = 0.1406 0.5000 0.5043 ( 2744 PWs) bands (ev): -46.0862 -46.0862 -22.8170 -22.8165 -22.1766 -22.1762 -22.1511 -22.1509 -14.2133 -14.2133 -6.1064 -6.1052 -5.8074 -5.8069 -5.7222 -5.7193 -1.0067 -0.9749 0.7267 0.7298 0.9711 1.0140 6.0890 6.0893 6.5689 6.5700 6.6443 6.6489 7.6387 7.6448 7.7629 7.7718 8.1669 8.1680 9.4902 9.4942 9.5883 9.5900 10.2634 10.2634 14.1119 14.1198 14.1344 14.1354 14.4548 14.4548 15.7624 15.7680 k = 0.1534 0.5000 0.5043 ( 2742 PWs) bands (ev): -46.0862 -46.0862 -22.8174 -22.8168 -22.1767 -22.1762 -22.1520 -22.1518 -14.2113 -14.2113 -6.0902 -6.0888 -5.8020 -5.8014 -5.7172 -5.7140 -1.0288 -0.9950 0.7027 0.7060 0.9324 0.9778 6.0886 6.0890 6.5695 6.5703 6.6992 6.7027 7.6456 7.6529 7.7785 7.7882 8.0939 8.0948 9.5137 9.5177 9.6055 9.6074 10.2656 10.2656 14.1282 14.1361 14.1512 14.1523 14.4623 14.4624 15.8502 15.8559 k = 0.1662 0.5000 0.5043 ( 2742 PWs) bands (ev): -46.0861 -46.0861 -22.8178 -22.8173 -22.1768 -22.1763 -22.1529 -22.1528 -14.2091 -14.2091 -6.0729 -6.0715 -5.7963 -5.7956 -5.7118 -5.7084 -1.0520 -1.0164 0.6775 0.6811 0.8924 0.9399 6.0881 6.0884 6.5700 6.5706 6.7566 6.7587 7.6499 7.6582 7.7928 7.8038 8.0228 8.0232 9.5390 9.5429 9.6247 9.6267 10.2678 10.2678 14.1459 14.1537 14.1691 14.1704 14.4704 14.4704 15.9402 15.9459 k = 0.1789 0.5000 0.5043 ( 2742 PWs) bands (ev): -46.0861 -46.0861 -22.8183 -22.8177 -22.1770 -22.1764 -22.1539 -22.1538 -14.2069 -14.2069 -6.0547 -6.0532 -5.7903 -5.7895 -5.7061 -5.7025 -1.0761 -1.0389 0.6512 0.6552 0.8515 0.9008 6.0873 6.0877 6.5704 6.5710 6.8157 6.8164 7.6492 7.6580 7.8027 7.8163 7.9588 7.9596 9.5658 9.5695 9.6460 9.6482 10.2702 10.2702 14.1648 14.1725 14.1881 14.1895 14.4788 14.4789 16.0315 16.0371 k = 0.1917 0.5000 0.5043 ( 2744 PWs) bands (ev): -46.0861 -46.0861 -22.8188 -22.8182 -22.1772 -22.1765 -22.1549 -22.1548 -14.2045 -14.2045 -6.0357 -6.0341 -5.7841 -5.7831 -5.7002 -5.6964 -1.1008 -1.0624 0.6241 0.6284 0.8099 0.8606 6.0863 6.0867 6.5708 6.5714 6.8751 6.8762 7.6388 7.6468 7.8010 7.8190 7.9139 7.9166 9.5941 9.5976 9.6693 9.6718 10.2726 10.2727 14.1849 14.1924 14.2080 14.2096 14.4877 14.4878 16.1229 16.1285 k = 0.2045 0.5000 0.5043 ( 2740 PWs) bands (ev): -46.0860 -46.0860 -22.8193 -22.8186 -22.1774 -22.1767 -22.1558 -22.1558 -14.2021 -14.2021 -6.0161 -6.0143 -5.7776 -5.7765 -5.6940 -5.6900 -1.1261 -1.0866 0.5963 0.6010 0.7679 0.8199 6.0850 6.0854 6.5713 6.5718 6.9344 6.9375 7.6105 7.6167 7.7860 7.8075 7.9016 7.9039 9.6237 9.6268 9.6949 9.6976 10.2752 10.2753 14.2060 14.2133 14.2288 14.2306 14.4968 14.4970 16.2135 16.2191 k = 0.2173 0.5000 0.5043 ( 2736 PWs) bands (ev): -46.0860 -46.0860 -22.8198 -22.8191 -22.1776 -22.1768 -22.1568 -22.1568 -14.1996 -14.1996 -5.9958 -5.9939 -5.7709 -5.7697 -5.6877 -5.6835 -1.1518 -1.1115 0.5681 0.5731 0.7259 0.7787 6.0833 6.0837 6.5717 6.5722 6.9936 6.9989 7.5608 7.5652 7.7734 7.7972 7.9095 7.9103 9.6544 9.6571 9.7225 9.7256 10.2778 10.2780 14.2280 14.2351 14.2504 14.2522 14.5062 14.5064 16.3022 16.3079 k = 0.2301 0.5000 0.5043 ( 2734 PWs) bands (ev): -46.0860 -46.0860 -22.8203 -22.8196 -22.1779 -22.1771 -22.1577 -22.1577 -14.1971 -14.1971 -5.9751 -5.9730 -5.7642 -5.7627 -5.6811 -5.6768 -1.1777 -1.1369 0.5396 0.5449 0.6841 0.7375 6.0811 6.0815 6.5722 6.5727 7.0523 7.0600 7.4957 7.4992 7.7696 7.7957 7.9234 7.9235 9.6861 9.6882 9.7522 9.7556 10.2804 10.2807 14.2508 14.2576 14.2725 14.2745 14.5159 14.5161 16.3880 16.3938 k = 0.2428 0.5000 0.5043 ( 2736 PWs) bands (ev): -46.0859 -46.0859 -22.8208 -22.8201 -22.1782 -22.1774 -22.1587 -22.1586 -14.1945 -14.1945 -5.9541 -5.9519 -5.7573 -5.7556 -5.6744 -5.6700 -1.2036 -1.1625 0.5110 0.5167 0.6427 0.6964 6.0784 6.0789 6.5727 6.5731 7.1096 7.1200 7.4235 7.4264 7.7719 7.8002 7.9385 7.9391 9.7185 9.7202 9.7839 9.7875 10.2831 10.2835 14.2743 14.2807 14.2951 14.2972 14.5257 14.5259 16.4696 16.4757 k = 0.2556 0.5000 0.5043 ( 2736 PWs) bands (ev): -46.0859 -46.0859 -22.8213 -22.8206 -22.1786 -22.1777 -22.1596 -22.1595 -14.1919 -14.1919 -5.9329 -5.9305 -5.7503 -5.7485 -5.6677 -5.6631 -1.2294 -1.1882 0.4825 0.4886 0.6020 0.6558 6.0752 6.0756 6.5732 6.5736 7.1646 7.1777 7.3495 7.3520 7.7778 7.8085 7.9541 7.9549 9.7516 9.7529 9.8173 9.8211 10.2858 10.2863 14.2982 14.3043 14.3181 14.3202 14.5356 14.5359 16.5461 16.5526 k = 0.2684 0.5000 0.5043 ( 2736 PWs) bands (ev): -46.0859 -46.0859 -22.8218 -22.8212 -22.1790 -22.1781 -22.1604 -22.1603 -14.1894 -14.1894 -5.9117 -5.9091 -5.7434 -5.7413 -5.6609 -5.6562 -1.2549 -1.2140 0.4542 0.4607 0.5623 0.6158 6.0713 6.0717 6.5737 6.5741 7.2121 7.2253 7.2829 7.2835 7.7860 7.8191 7.9694 7.9703 9.7853 9.7861 9.8520 9.8559 10.2885 10.2890 14.3224 14.3282 14.3413 14.3434 14.5456 14.5459 16.6164 16.6235 k = 0.2812 0.5000 0.5043 ( 2742 PWs) bands (ev): -46.0858 -46.0858 -22.8224 -22.8217 -22.1795 -22.1785 -22.1613 -22.1611 -14.1868 -14.1868 -5.8905 -5.8878 -5.7365 -5.7342 -5.6541 -5.6494 -1.2799 -1.2395 0.4264 0.4333 0.5237 0.5766 6.0665 6.0670 6.5742 6.5745 7.1905 7.1911 7.2813 7.2989 7.7961 7.8315 7.9840 7.9849 9.8193 9.8198 9.8878 9.8918 10.2912 10.2918 14.3468 14.3523 14.3645 14.3666 14.5556 14.5560 16.6795 16.6874 k = 0.2940 0.5000 0.5043 ( 2740 PWs) bands (ev): -46.0858 -46.0858 -22.8229 -22.8222 -22.1799 -22.1790 -22.1620 -22.1618 -14.1843 -14.1843 -5.8696 -5.8667 -5.7297 -5.7271 -5.6473 -5.6426 -1.3043 -1.2647 0.3992 0.4065 0.4863 0.5385 6.0610 6.0614 6.5747 6.5750 7.1219 7.1235 7.3255 7.3472 7.8079 7.8456 7.9977 7.9986 9.8535 9.8538 9.9243 9.9282 10.2938 10.2946 14.3712 14.3764 14.3876 14.3897 14.5656 14.5660 16.7347 16.7438 k = 0.3067 0.5000 0.5043 ( 2738 PWs) bands (ev): -46.0857 -46.0857 -22.8234 -22.8227 -22.1805 -22.1795 -22.1626 -22.1624 -14.1818 -14.1818 -5.8491 -5.8459 -5.7230 -5.7201 -5.6406 -5.6359 -1.3280 -1.2894 0.3728 0.3805 0.4505 0.5017 6.0545 6.0549 6.5752 6.5755 7.0543 7.0560 7.3694 7.3938 7.8217 7.8612 8.0105 8.0113 9.8878 9.8879 9.9611 9.9650 10.2964 10.2973 14.3954 14.4003 14.4105 14.4125 14.5755 14.5759 16.7816 16.7920 k = 0.3195 0.5000 0.5043 ( 2744 PWs) bands (ev): -46.0857 -46.0857 -22.8239 -22.8232 -22.1810 -22.1801 -22.1632 -22.1629 -14.1794 -14.1794 -5.8291 -5.8257 -5.7164 -5.7133 -5.6341 -5.6294 -1.3508 -1.3134 0.3473 0.3554 0.4164 0.4662 6.0470 6.0474 6.5757 6.5760 6.9900 6.9917 7.4099 7.4365 7.8375 7.8783 8.0222 8.0229 9.9218 9.9219 9.9978 10.0015 10.2990 10.3000 14.4193 14.4238 14.4329 14.4349 14.5853 14.5857 16.8201 16.8322 k = 0.3323 0.5000 0.5043 ( 2740 PWs) bands (ev): -46.0857 -46.0857 -22.8243 -22.8237 -22.1816 -22.1806 -22.1637 -22.1634 -14.1771 -14.1771 -5.8098 -5.8061 -5.7101 -5.7066 -5.6277 -5.6231 -1.3725 -1.3366 0.3229 0.3315 0.3840 0.4324 6.0385 6.0389 6.5762 6.5764 6.9298 6.9315 7.4464 7.4744 7.8555 7.8968 8.0328 8.0335 9.9554 9.9556 10.0341 10.0377 10.3014 10.3026 14.4426 14.4468 14.4548 14.4568 14.5950 14.5954 16.8507 16.8646 k = 0.3451 0.5000 0.5043 ( 2740 PWs) bands (ev): -46.0856 -46.0856 -22.8248 -22.8242 -22.1822 -22.1812 -22.1641 -22.1638 -14.1749 -14.1749 -5.7913 -5.7873 -5.7040 -5.7002 -5.6215 -5.6171 -1.3930 -1.3589 0.2997 0.3087 0.3536 0.4003 6.0290 6.0294 6.5766 6.5768 6.8742 6.8758 7.4787 7.5073 7.8755 7.9165 8.0424 8.0430 9.9883 9.9885 10.0695 10.0729 10.3037 10.3051 14.4651 14.4689 14.4760 14.4779 14.6046 14.6049 16.8740 16.8899 k = 0.3579 0.5000 0.5043 ( 2740 PWs) bands (ev): -46.0856 -46.0856 -22.8252 -22.8246 -22.1827 -22.1819 -22.1645 -22.1642 -14.1729 -14.1728 -5.7738 -5.7695 -5.6982 -5.6940 -5.6156 -5.6113 -1.4123 -1.3801 0.2779 0.2872 0.3253 0.3701 6.0186 6.0189 6.5770 6.5773 6.8235 6.8250 7.5068 7.5351 7.8975 7.9371 8.0510 8.0515 10.0201 10.0204 10.1037 10.1070 10.3059 10.3075 14.4866 14.4900 14.4963 14.4982 14.6139 14.6143 16.8910 16.9090 k = 0.3707 0.5000 0.5043 ( 2744 PWs) bands (ev): -46.0856 -46.0856 -22.8256 -22.8251 -22.1833 -22.1825 -22.1648 -22.1645 -14.1709 -14.1709 -5.7574 -5.7527 -5.6928 -5.6880 -5.6101 -5.6060 -1.4301 -1.4000 0.2576 0.2672 0.2993 0.3418 6.0073 6.0076 6.5775 6.5777 6.7779 6.7792 7.5309 7.5580 7.9207 7.9582 8.0586 8.0591 10.0507 10.0510 10.1363 10.1396 10.3080 10.3098 14.5068 14.5096 14.5158 14.5177 14.6231 14.6234 16.9028 16.9229 k = 0.3834 0.5000 0.5043 ( 2750 PWs) bands (ev): -46.0856 -46.0856 -22.8260 -22.8255 -22.1839 -22.1831 -22.1651 -22.1648 -14.1691 -14.1691 -5.7423 -5.7371 -5.6876 -5.6824 -5.6048 -5.6009 -1.4464 -1.4187 0.2388 0.2487 0.2755 0.3157 5.9955 5.9957 6.5778 6.5780 6.7374 6.7386 7.5513 7.5765 7.9446 7.9793 8.0653 8.0657 10.0796 10.0799 10.1670 10.1702 10.3099 10.3120 14.5253 14.5275 14.5342 14.5362 14.6321 14.6323 16.9104 16.9326 k = 0.3962 0.5000 0.5043 ( 2750 PWs) bands (ev): -46.0855 -46.0855 -22.8263 -22.8259 -22.1844 -22.1837 -22.1653 -22.1651 -14.1674 -14.1674 -5.7285 -5.7230 -5.6827 -5.6771 -5.5999 -5.5964 -1.4611 -1.4359 0.2217 0.2318 0.2543 0.2917 5.9833 5.9835 6.5782 6.5783 6.7021 6.7031 7.5684 7.5913 7.9684 7.9997 8.0711 8.0714 10.1065 10.1068 10.1954 10.1987 10.3117 10.3141 14.5418 14.5435 14.5516 14.5537 14.6407 14.6409 16.9150 16.9390 k = 0.4090 0.5000 0.5043 ( 2752 PWs) bands (ev): -46.0855 -46.0855 -22.8266 -22.8262 -22.1849 -22.1842 -22.1655 -22.1653 -14.1659 -14.1659 -5.7163 -5.7104 -5.6782 -5.6721 -5.5955 -5.5923 -1.4741 -1.4516 0.2065 0.2164 0.2358 0.2701 5.9712 5.9713 6.5785 6.5786 6.6717 6.6726 7.5825 7.6028 7.9914 8.0190 8.0761 8.0764 10.1311 10.1313 10.2212 10.2247 10.3133 10.3162 14.5562 14.5575 14.5678 14.5698 14.6491 14.6492 16.9175 16.9430 k = 0.4218 0.5000 0.5043 ( 2760 PWs) bands (ev): -46.0855 -46.0855 -22.8269 -22.8266 -22.1853 -22.1848 -22.1656 -22.1655 -14.1646 -14.1646 -5.7058 -5.6995 -5.6738 -5.6674 -5.5915 -5.5886 -1.4853 -1.4656 0.1931 0.2025 0.2202 0.2508 5.9594 5.9596 6.5788 6.5789 6.6460 6.6468 7.5942 7.6116 8.0127 8.0365 8.0804 8.0807 10.1531 10.1534 10.2441 10.2479 10.3148 10.3181 14.5685 14.5695 14.5825 14.5843 14.6570 14.6570 16.9186 16.9452 k = 0.4346 0.5000 0.5043 ( 2766 PWs) bands (ev): -46.0855 -46.0855 -22.8271 -22.8268 -22.1857 -22.1852 -22.1658 -22.1656 -14.1635 -14.1635 -5.6969 -5.6907 -5.6696 -5.6632 -5.5881 -5.5856 -1.4947 -1.4779 0.1818 0.1902 0.2074 0.2339 5.9486 5.9487 6.5790 6.5791 6.6249 6.6255 7.6037 7.6183 8.0320 8.0517 8.0839 8.0843 10.1723 10.1725 10.2637 10.2679 10.3162 10.3201 14.5787 14.5795 14.5954 14.5970 14.6642 14.6642 16.9191 16.9460 k = 0.4473 0.5000 0.5043 ( 2780 PWs) bands (ev): -46.0855 -46.0855 -22.8274 -22.8271 -22.1861 -22.1857 -22.1659 -22.1658 -14.1625 -14.1625 -5.6897 -5.6840 -5.6654 -5.6595 -5.5851 -5.5830 -1.5022 -1.4885 0.1724 0.1796 0.1976 0.2195 5.9390 5.9391 6.5792 6.5793 6.6081 6.6085 7.6113 7.6231 8.0486 8.0643 8.0869 8.0874 10.1885 10.1886 10.2798 10.2845 10.3176 10.3221 14.5870 14.5875 14.6064 14.6076 14.6705 14.6706 16.9198 16.9457 k = 0.4601 0.5000 0.5043 ( 2782 PWs) bands (ev): -46.0855 -46.0855 -22.8275 -22.8273 -22.1863 -22.1860 -22.1660 -22.1659 -14.1618 -14.1618 -5.6842 -5.6795 -5.6612 -5.6564 -5.5827 -5.5811 -1.5077 -1.4972 0.1653 0.1708 0.1907 0.2076 5.9310 5.9311 6.5794 6.5794 6.5952 6.5956 7.6173 7.6262 8.0622 8.0738 8.0894 8.0900 10.2013 10.2014 10.2921 10.2971 10.3193 10.3242 14.5933 14.5936 14.6152 14.6162 14.6758 14.6759 16.9211 16.9443 k = 0.4729 0.5000 0.5043 ( 2786 PWs) bands (ev): -46.0855 -46.0855 -22.8276 -22.8275 -22.1865 -22.1863 -22.1661 -22.1660 -14.1612 -14.1612 -5.6801 -5.6768 -5.6576 -5.6542 -5.5809 -5.5797 -1.5113 -1.5040 0.1602 0.1641 0.1865 0.1982 5.9250 5.9250 6.5793 6.5794 6.5863 6.5864 7.6219 7.6281 8.0725 8.0800 8.0914 8.0923 10.2107 10.2108 10.3006 10.3050 10.3219 10.3262 14.5978 14.5980 14.6217 14.6224 14.6798 14.6799 16.9235 16.9419 k = 0.4857 0.5000 0.5043 ( 2784 PWs) bands (ev): -46.0855 -46.0855 -22.8276 -22.8276 -22.1865 -22.1864 -22.1661 -22.1660 -14.1609 -14.1609 -5.6774 -5.6755 -5.6549 -5.6530 -5.5796 -5.5790 -1.5129 -1.5088 0.1574 0.1596 0.1849 0.1914 5.9212 5.9212 6.5787 6.5789 6.5813 6.5814 7.6252 7.6286 8.0793 8.0831 8.0929 8.0938 10.2166 10.2167 10.3058 10.3085 10.3250 10.3276 14.6005 14.6007 14.6258 14.6262 14.6824 14.6824 16.9271 16.9383 k = 0.4985 0.5000 0.5043 ( 2784 PWs) bands (ev): -46.0855 -46.0855 -22.8276 -22.8276 -22.1865 -22.1865 -22.1661 -22.1660 -14.1608 -14.1608 -5.6760 -5.6756 -5.6533 -5.6530 -5.5790 -5.5789 -1.5125 -1.5117 0.1569 0.1573 0.1859 0.1872 5.9197 5.9197 6.5776 6.5777 6.5804 6.5804 7.6273 7.6280 8.0828 8.0835 8.0938 8.0940 10.2189 10.2189 10.3083 10.3088 10.3272 10.3277 14.6016 14.6016 14.6275 14.6276 14.6834 14.6834 16.9318 16.9340 k = 0.4985 0.5000 0.5043 ( 2784 PWs) bands (ev): -46.0855 -46.0855 -22.8276 -22.8276 -22.1865 -22.1865 -22.1661 -22.1660 -14.1608 -14.1608 -5.6760 -5.6756 -5.6533 -5.6530 -5.5790 -5.5789 -1.5125 -1.5117 0.1569 0.1573 0.1859 0.1872 5.9197 5.9197 6.5776 6.5777 6.5804 6.5804 7.6273 7.6280 8.0828 8.0835 8.0938 8.0940 10.2189 10.2189 10.3083 10.3088 10.3272 10.3277 14.6016 14.6016 14.6275 14.6276 14.6834 14.6834 16.9318 16.9340 k = 0.4896 0.4911 0.5043 ( 2784 PWs) bands (ev): -46.0855 -46.0855 -22.8277 -22.8276 -22.1866 -22.1864 -22.1661 -22.1660 -14.1609 -14.1609 -5.6775 -5.6750 -5.6555 -5.6529 -5.5797 -5.5789 -1.5135 -1.5081 0.1572 0.1601 0.1839 0.1925 5.9212 5.9212 6.5792 6.5796 6.5808 6.5811 7.6246 7.6291 8.0779 8.0827 8.0935 8.0948 10.2166 10.2166 10.3055 10.3092 10.3241 10.3277 14.6005 14.6006 14.6257 14.6262 14.6824 14.6824 16.9240 16.9385 k = 0.4807 0.4821 0.5043 ( 2784 PWs) bands (ev): -46.0855 -46.0855 -22.8276 -22.8275 -22.1865 -22.1862 -22.1661 -22.1660 -14.1612 -14.1612 -5.6800 -5.6753 -5.6592 -5.6543 -5.5811 -5.5796 -1.5125 -1.5026 0.1598 0.1652 0.1841 0.2002 5.9249 5.9249 6.5818 6.5819 6.5841 6.5843 7.6207 7.6290 8.0693 8.0785 8.0929 8.0953 10.2109 10.2110 10.3009 10.3081 10.3187 10.3257 14.5977 14.5980 14.6214 14.6224 14.6797 14.6798 16.9163 16.9397 k = 0.4718 0.4732 0.5043 ( 2784 PWs) bands (ev): -46.0855 -46.0855 -22.8275 -22.8273 -22.1863 -22.1859 -22.1660 -22.1659 -14.1618 -14.1618 -5.6837 -5.6766 -5.6641 -5.6569 -5.5831 -5.5808 -1.5097 -1.4952 0.1644 0.1725 0.1870 0.2106 5.9307 5.9307 6.5839 6.5841 6.5909 6.5915 7.6154 7.6277 8.0575 8.0716 8.0919 8.0948 10.2020 10.2021 10.2941 10.3047 10.3116 10.3220 14.5932 14.5937 14.6148 14.6161 14.6756 14.6757 16.9101 16.9393 k = 0.4629 0.4643 0.5043 ( 2772 PWs) bands (ev): -46.0855 -46.0855 -22.8274 -22.8270 -22.1861 -22.1855 -22.1659 -22.1658 -14.1625 -14.1625 -5.6888 -5.6804 -5.6689 -5.6602 -5.5855 -5.5827 -1.5049 -1.4860 0.1710 0.1810 0.1932 0.2235 5.9386 5.9386 6.5867 6.5870 6.6005 6.6014 7.6088 7.6251 8.0428 8.0622 8.0902 8.0934 10.1898 10.1900 10.2849 10.2970 10.3051 10.3169 14.5871 14.5877 14.6057 14.6075 14.6700 14.6701 16.9063 16.9391 k = 0.4540 0.4554 0.5043 ( 2764 PWs) bands (ev): -46.0855 -46.0855 -22.8272 -22.8268 -22.1858 -22.1851 -22.1658 -22.1656 -14.1635 -14.1635 -5.6960 -5.6880 -5.6721 -5.6639 -5.5885 -5.5850 -1.4983 -1.4750 0.1793 0.1896 0.2039 0.2392 5.9485 5.9485 6.5904 6.5908 6.6128 6.6138 7.6006 7.6211 8.0254 8.0504 8.0880 8.0912 10.1744 10.1747 10.2733 10.2849 10.2996 10.3106 14.5794 14.5802 14.5945 14.5966 14.6629 14.6631 16.9054 16.9404 k = 0.4451 0.4464 0.5043 ( 2768 PWs) bands (ev): -46.0855 -46.0855 -22.8270 -22.8265 -22.1854 -22.1846 -22.1658 -22.1655 -14.1646 -14.1646 -5.7053 -5.6988 -5.6743 -5.6676 -5.5918 -5.5879 -1.4899 -1.4623 0.1894 0.1984 0.2189 0.2576 5.9602 5.9602 6.5951 6.5956 6.6276 6.6288 7.5908 7.6156 8.0056 8.0366 8.0853 8.0885 10.1560 10.1563 10.2593 10.2701 10.2934 10.3032 14.5696 14.5708 14.5812 14.5835 14.6544 14.6547 16.9074 16.9437 k = 0.4362 0.4375 0.5043 ( 2760 PWs) bands (ev): -46.0855 -46.0855 -22.8267 -22.8262 -22.1850 -22.1840 -22.1657 -22.1654 -14.1659 -14.1659 -5.7169 -5.7119 -5.6763 -5.6713 -5.5956 -5.5911 -1.4797 -1.4481 0.2010 0.2081 0.2373 0.2787 5.9735 5.9736 6.6009 6.6014 6.6450 6.6463 7.5792 7.6082 7.9840 8.0210 8.0822 8.0853 10.1347 10.1351 10.2431 10.2533 10.2861 10.2949 14.5572 14.5592 14.5668 14.5687 14.6445 14.6449 16.9122 16.9492 k = 0.4273 0.4286 0.5043 ( 2752 PWs) bands (ev): -46.0855 -46.0855 -22.8264 -22.8258 -22.1844 -22.1834 -22.1655 -22.1652 -14.1674 -14.1674 -5.7306 -5.7270 -5.6785 -5.6749 -5.5997 -5.5947 -1.4680 -1.4323 0.2142 0.2192 0.2586 0.3023 5.9883 5.9885 6.6078 6.6084 6.6648 6.6663 7.5654 7.5988 7.9611 8.0042 8.0787 8.0817 10.1106 10.1110 10.2249 10.2347 10.2777 10.2856 14.5407 14.5440 14.5527 14.5538 14.6334 14.6339 16.9195 16.9567 k = 0.4184 0.4196 0.5043 ( 2756 PWs) bands (ev): -46.0856 -46.0856 -22.8261 -22.8254 -22.1839 -22.1828 -22.1654 -22.1650 -14.1691 -14.1691 -5.7464 -5.7439 -5.6808 -5.6784 -5.6040 -5.5987 -1.4547 -1.4151 0.2288 0.2317 0.2826 0.3285 6.0043 6.0046 6.6161 6.6167 6.6871 6.6886 7.5494 7.5868 7.9375 7.9866 8.0749 8.0777 10.0840 10.0844 10.2050 10.2146 10.2681 10.2752 14.5203 14.5246 14.5386 14.5393 14.6211 14.6217 16.9288 16.9658 k = 0.4095 0.4107 0.5043 ( 2752 PWs) bands (ev): -46.0856 -46.0856 -22.8257 -22.8250 -22.1832 -22.1820 -22.1652 -22.1648 -14.1710 -14.1710 -5.7640 -5.7625 -5.6833 -5.6820 -5.6086 -5.6028 -1.4399 -1.3967 0.2448 0.2457 0.3090 0.3570 6.0213 6.0218 6.6258 6.6265 6.7117 6.7132 7.5310 7.5720 7.9142 7.9689 8.0709 8.0735 10.0550 10.0555 10.1837 10.1933 10.2572 10.2636 14.4970 14.5020 14.5239 14.5244 14.6076 14.6084 16.9395 16.9759 k = 0.4006 0.4018 0.5043 ( 2752 PWs) bands (ev): -46.0856 -46.0856 -22.8253 -22.8245 -22.1825 -22.1812 -22.1651 -22.1646 -14.1731 -14.1731 -5.7834 -5.7826 -5.6861 -5.6857 -5.6132 -5.6072 -1.4238 -1.3771 0.2611 0.2621 0.3376 0.3878 6.0390 6.0397 6.6372 6.6379 6.7384 6.7399 7.5099 7.5538 7.8920 7.9517 8.0668 8.0692 10.0239 10.0243 10.1612 10.1711 10.2450 10.2509 14.4712 14.4767 14.5083 14.5086 14.5931 14.5941 16.9508 16.9861 k = 0.3917 0.3929 0.5043 ( 2752 PWs) bands (ev): -46.0857 -46.0857 -22.8249 -22.8240 -22.1818 -22.1803 -22.1649 -22.1644 -14.1753 -14.1753 -5.8043 -5.8043 -5.6896 -5.6892 -5.6179 -5.6116 -1.4065 -1.3565 0.2780 0.2808 0.3684 0.4206 6.0572 6.0580 6.6504 6.6511 6.7673 6.7687 7.4862 7.5320 7.8716 7.9354 8.0627 8.0648 9.9908 9.9912 10.1378 10.1480 10.2316 10.2369 14.4428 14.4489 14.4917 14.4919 14.5776 14.5788 16.9615 16.9954 k = 0.3827 0.3839 0.5043 ( 2752 PWs) bands (ev): -46.0857 -46.0857 -22.8244 -22.8235 -22.1810 -22.1794 -22.1647 -22.1642 -14.1777 -14.1777 -5.8273 -5.8268 -5.6936 -5.6924 -5.6227 -5.6160 -1.3880 -1.3350 0.2961 0.3007 0.4011 0.4552 6.0755 6.0765 6.6657 6.6662 6.7982 6.7994 7.4598 7.5064 7.8536 7.9206 8.0587 8.0604 9.9561 9.9563 10.1137 10.1242 10.2168 10.2217 14.4122 14.4188 14.4742 14.4743 14.5613 14.5626 16.9705 17.0026 k = 0.3738 0.3750 0.5043 ( 2742 PWs) bands (ev): -46.0857 -46.0857 -22.8239 -22.8229 -22.1800 -22.1784 -22.1644 -22.1639 -14.1803 -14.1803 -5.8516 -5.8506 -5.6977 -5.6959 -5.6273 -5.6205 -1.3686 -1.3127 0.3156 0.3218 0.4355 0.4915 6.0937 6.0949 6.6831 6.6835 6.8308 6.8319 7.4310 7.4772 7.8385 7.9075 8.0550 8.0562 9.9199 9.9200 10.0889 10.1000 10.2006 10.2051 14.3793 14.3864 14.4558 14.4558 14.5442 14.5456 16.9763 17.0061 k = 0.3649 0.3661 0.5043 ( 2754 PWs) bands (ev): -46.0858 -46.0858 -22.8234 -22.8224 -22.1792 -22.1775 -22.1642 -22.1637 -14.1830 -14.1830 -5.8771 -5.8756 -5.7019 -5.6995 -5.6318 -5.6248 -1.3482 -1.2897 0.3363 0.3440 0.4714 0.5291 6.1114 6.1128 6.7029 6.7031 6.8650 6.8659 7.3999 7.4447 7.8265 7.8965 8.0516 8.0522 9.8825 9.8825 10.0638 10.0755 10.1830 10.1871 14.3441 14.3518 14.4366 14.4367 14.5263 14.5280 16.9773 17.0045 k = 0.3560 0.3571 0.5043 ( 2750 PWs) bands (ev): -46.0858 -46.0858 -22.8228 -22.8217 -22.1782 -22.1764 -22.1640 -22.1634 -14.1859 -14.1858 -5.9036 -5.9017 -5.7063 -5.7034 -5.6361 -5.6289 -1.3271 -1.2661 0.3581 0.3674 0.5086 0.5679 6.1285 6.1301 6.7251 6.7251 6.9006 6.9013 7.3672 7.4096 7.8173 7.8877 8.0487 8.0488 9.8440 9.8442 10.0383 10.0506 10.1640 10.1677 14.3067 14.3151 14.4167 14.4169 14.5079 14.5097 16.9720 16.9963 k = 0.3471 0.3482 0.5043 ( 2746 PWs) bands (ev): -46.0858 -46.0858 -22.8222 -22.8211 -22.1771 -22.1753 -22.1637 -22.1631 -14.1888 -14.1888 -5.9311 -5.9289 -5.7108 -5.7074 -5.6401 -5.6328 -1.3053 -1.2422 0.3811 0.3917 0.5468 0.6076 6.1447 6.1464 6.7495 6.7499 6.9374 6.9377 7.3333 7.3727 7.8110 7.8812 8.0458 8.0466 9.8049 9.8053 10.0126 10.0256 10.1436 10.1469 14.2673 14.2762 14.3963 14.3966 14.4889 14.4908 16.9591 16.9805 k = 0.3382 0.3393 0.5043 ( 2742 PWs) bands (ev): -46.0859 -46.0859 -22.8215 -22.8204 -22.1760 -22.1741 -22.1634 -22.1628 -14.1920 -14.1919 -5.9594 -5.9569 -5.7155 -5.7116 -5.6437 -5.6363 -1.2830 -1.2179 0.4051 0.4170 0.5858 0.6479 6.1599 6.1618 6.7763 6.7771 6.9748 6.9749 7.2989 7.3348 7.8072 7.8768 8.0437 8.0455 9.7653 9.7660 9.9868 10.0005 10.1216 10.1245 14.2258 14.2353 14.3754 14.3758 14.4695 14.4716 16.9376 16.9562 k = 0.3293 0.3304 0.5043 ( 2746 PWs) bands (ev): -46.0859 -46.0859 -22.8209 -22.8198 -22.1749 -22.1729 -22.1631 -22.1625 -14.1952 -14.1952 -5.9885 -5.9857 -5.7202 -5.7160 -5.6470 -5.6396 -1.2603 -1.1934 0.4300 0.4432 0.6253 0.6885 6.1739 6.1760 6.8055 6.8067 7.0122 7.0128 7.2648 7.2969 7.8056 7.8746 8.0426 8.0455 9.7257 9.7267 9.9608 9.9752 10.0982 10.1006 14.1823 14.1924 14.3542 14.3548 14.4497 14.4519 16.9072 16.9233 k = 0.3204 0.3214 0.5043 ( 2742 PWs) bands (ev): -46.0860 -46.0860 -22.8202 -22.8191 -22.1737 -22.1717 -22.1629 -22.1622 -14.1985 -14.1985 -6.0181 -6.0152 -5.7250 -5.7205 -5.6499 -5.6424 -1.2373 -1.1689 0.4557 0.4702 0.6650 0.7292 6.1869 6.1890 6.8370 6.8386 7.0491 7.0505 7.2321 7.2600 7.8060 7.8743 8.0430 8.0470 9.6862 9.6876 9.9348 9.9497 10.0732 10.0752 14.1369 14.1477 14.3328 14.3335 14.4298 14.4321 16.8682 16.8821 k = 0.3115 0.3125 0.5043 ( 2750 PWs) bands (ev): -46.0860 -46.0860 -22.8196 -22.8184 -22.1725 -22.1705 -22.1626 -22.1619 -14.2020 -14.2020 -6.0483 -6.0452 -5.7300 -5.7251 -5.6523 -5.6447 -1.2140 -1.1443 0.4823 0.4979 0.7047 0.7697 6.1987 6.2008 6.8704 6.8725 7.0840 7.0870 7.2027 7.2256 7.8081 7.8757 8.0452 8.0504 9.6473 9.6490 9.9086 9.9242 10.0467 10.0481 14.0898 14.1011 14.3114 14.3121 14.4096 14.4120 16.8210 16.8332 k = 0.3026 0.3036 0.5043 ( 2750 PWs) bands (ev): -46.0861 -46.0861 -22.8189 -22.8177 -22.1713 -22.1692 -22.1623 -22.1616 -14.2055 -14.2055 -6.0790 -6.0756 -5.7349 -5.7298 -5.6541 -5.6466 -1.1906 -1.1199 0.5095 0.5263 0.7440 0.8097 6.2094 6.2116 6.9056 6.9082 7.1107 7.1187 7.1830 7.1977 7.8115 7.8785 8.0496 8.0559 9.6091 9.6114 9.8823 9.8984 10.0187 10.0195 14.0409 14.0529 14.2900 14.2907 14.3895 14.3919 16.7667 16.7775 k = 0.2937 0.2946 0.5043 ( 2746 PWs) bands (ev): -46.0861 -46.0861 -22.8182 -22.8169 -22.1700 -22.1679 -22.1619 -22.1613 -14.2091 -14.2091 -6.1099 -6.1064 -5.7400 -5.7346 -5.6554 -5.6479 -1.1672 -1.0957 0.5374 0.5552 0.7828 0.8488 6.2192 6.2214 6.9421 6.9452 7.1127 7.1295 7.1899 7.1925 7.8161 7.8823 8.0568 8.0640 9.5721 9.5749 9.8559 9.8723 9.9893 9.9893 13.9903 14.0030 14.2687 14.2695 14.3693 14.3718 16.7061 16.7159 k = 0.2848 0.2857 0.5043 ( 2746 PWs) bands (ev): -46.0862 -46.0862 -22.8174 -22.8162 -22.1687 -22.1666 -22.1616 -22.1609 -14.2128 -14.2128 -6.1410 -6.1374 -5.7451 -5.7395 -5.6561 -5.6486 -1.1440 -1.0718 0.5658 0.5847 0.8207 0.8869 6.2280 6.2302 6.9796 6.9830 7.0961 7.1129 7.2173 7.2178 7.8215 7.8868 8.0671 8.0751 9.5366 9.5399 9.8293 9.8460 9.9575 9.9583 13.9383 13.9516 14.2477 14.2486 14.3493 14.3518 16.6402 16.6493 k = 0.2759 0.2768 0.5043 ( 2738 PWs) bands (ev): -46.0862 -46.0862 -22.8167 -22.8154 -22.1674 -22.1652 -22.1612 -22.1606 -14.2165 -14.2165 -6.1722 -6.1685 -5.7502 -5.7444 -5.6563 -5.6488 -1.1208 -1.0483 0.5946 0.6145 0.8576 0.9236 6.2361 6.2383 7.0171 7.0201 7.0783 7.0918 7.2498 7.2507 7.8273 7.8916 8.0812 8.0895 9.5029 9.5069 9.8025 9.8191 9.9241 9.9261 13.8849 13.8988 14.2271 14.2280 14.3295 14.3320 16.5698 16.5785 k = 0.2670 0.2679 0.5043 ( 2746 PWs) bands (ev): -46.0863 -46.0863 -22.8160 -22.8147 -22.1661 -22.1639 -22.1609 -22.1602 -14.2203 -14.2203 -6.2034 -6.1996 -5.7553 -5.7494 -5.6558 -5.6483 -1.0980 -1.0253 0.6237 0.6447 0.8931 0.9588 6.2435 6.2457 7.0448 7.0493 7.0752 7.0782 7.2831 7.2841 7.8334 7.8963 8.0992 8.1075 9.4715 9.4761 9.7753 9.7916 9.8892 9.8925 13.8303 13.8448 14.2069 14.2079 14.3100 14.3125 16.4957 16.5042 k = 0.2581 0.2589 0.5043 ( 2746 PWs) bands (ev): -46.0863 -46.0863 -22.8152 -22.8139 -22.1648 -22.1627 -22.1605 -22.1599 -14.2241 -14.2241 -6.2346 -6.2307 -5.7604 -5.7544 -5.6546 -5.6473 -1.0755 -1.0029 0.6530 0.6750 0.9270 0.9921 6.2504 6.2526 7.0388 7.0485 7.1011 7.1062 7.3158 7.3170 7.8395 7.9010 8.1211 8.1290 9.4425 9.4480 9.7478 9.7634 9.8527 9.8579 13.7746 13.7897 14.1873 14.1883 14.2909 14.2933 16.4186 16.4270 k = 0.2492 0.2500 0.5043 ( 2746 PWs) bands (ev): -46.0864 -46.0864 -22.8144 -22.8132 -22.1634 -22.1615 -22.1600 -22.1595 -14.2280 -14.2280 -6.2655 -6.2616 -5.7655 -5.7595 -5.6529 -5.6456 -1.0535 -0.9811 0.6824 0.7055 0.9593 1.0234 6.2569 6.2590 7.0302 7.0382 7.1375 7.1434 7.3476 7.3489 7.8456 7.9054 8.1470 8.1542 9.4164 9.4228 9.7198 9.7340 9.8149 9.8223 13.7179 13.7337 14.1684 14.1694 14.2722 14.2746 16.3391 16.3475 k = 0.2403 0.2411 0.5043 ( 2746 PWs) bands (ev): -46.0864 -46.0864 -22.8137 -22.8124 -22.1621 -22.1606 -22.1592 -22.1591 -14.2318 -14.2318 -6.2962 -6.2922 -5.7706 -5.7645 -5.6505 -5.6434 -1.0320 -0.9600 0.7119 0.7360 0.9896 1.0525 6.2630 6.2651 7.0253 7.0315 7.1740 7.1802 7.3784 7.3799 7.8515 7.9098 8.1765 8.1827 9.3936 9.4009 9.6911 9.7033 9.7757 9.7863 13.6606 13.6769 14.1502 14.1511 14.2540 14.2564 16.2577 16.2660 k = 0.2314 0.2321 0.5043 ( 2746 PWs) bands (ev): -46.0865 -46.0865 -22.8129 -22.8117 -22.1608 -22.1600 -22.1587 -22.1581 -14.2357 -14.2356 -6.3265 -6.3225 -5.7756 -5.7695 -5.6476 -5.6405 -1.0111 -0.9397 0.7412 0.7664 1.0179 1.0793 6.2690 6.2710 7.0251 7.0298 7.2094 7.2157 7.4082 7.4099 7.8575 7.9143 8.2091 8.2142 9.3743 9.3827 9.6617 9.6708 9.7354 9.7500 13.6027 13.6196 14.1327 14.1337 14.2365 14.2389 16.1747 16.1832 k = 0.2225 0.2232 0.5043 ( 2746 PWs) bands (ev): -46.0865 -46.0865 -22.8122 -22.8109 -22.1597 -22.1595 -22.1582 -22.1569 -14.2395 -14.2395 -6.3563 -6.3524 -5.7806 -5.7745 -5.6440 -5.6371 -0.9908 -0.9203 0.7703 0.7967 1.0442 1.1036 6.2748 6.2768 7.0299 7.0333 7.2429 7.2493 7.4371 7.4391 7.8635 7.9190 8.2446 8.2483 9.3589 9.3685 9.6312 9.6361 9.6941 9.7139 13.5445 13.5620 14.1161 14.1171 14.2196 14.2219 16.0907 16.0993 k = 0.2136 0.2143 0.5043 ( 2750 PWs) bands (ev): -46.0866 -46.0866 -22.8115 -22.8102 -22.1592 -22.1588 -22.1574 -22.1556 -14.2433 -14.2433 -6.3856 -6.3817 -5.7855 -5.7794 -5.6399 -5.6332 -0.9713 -0.9018 0.7991 0.8267 1.0683 1.1255 6.2805 6.2824 7.0400 7.0422 7.2742 7.2806 7.4652 7.4672 7.8698 7.9242 8.2823 8.2846 9.3475 9.3584 9.5989 9.5992 9.6524 9.6784 13.4863 13.5043 14.1004 14.1014 14.2034 14.2057 16.0059 16.0146 k = 0.2047 0.2054 0.5043 ( 2750 PWs) bands (ev): -46.0866 -46.0866 -22.8107 -22.8095 -22.1588 -22.1583 -22.1563 -22.1543 -14.2470 -14.2470 -6.4143 -6.4105 -5.7903 -5.7843 -5.6353 -5.6287 -0.9525 -0.8843 0.8275 0.8563 1.0903 1.1449 6.2861 6.2881 7.0553 7.0568 7.3031 7.3095 7.4922 7.4944 7.8764 7.9299 8.3219 8.3227 9.3403 9.3526 9.5592 9.5651 9.6109 9.6434 13.4283 13.4467 14.0856 14.0866 14.1880 14.1903 15.9208 15.9296 k = 0.1958 0.1964 0.5043 ( 2754 PWs) bands (ev): -46.0867 -46.0867 -22.8100 -22.8088 -22.1585 -22.1579 -22.1551 -22.1531 -14.2508 -14.2507 -6.4424 -6.4386 -5.7950 -5.7890 -5.6302 -5.6238 -0.9346 -0.8678 0.8552 0.8854 1.1101 1.1619 6.2919 6.2937 7.0759 7.0769 7.3295 7.3359 7.5180 7.5202 7.8836 7.9364 8.3623 8.3631 9.3374 9.3511 9.5171 9.5281 9.5704 9.6089 13.3707 13.3896 14.0718 14.0728 14.1735 14.1757 15.8355 15.8445 k = 0.1869 0.1875 0.5043 ( 2746 PWs) bands (ev): -46.0867 -46.0867 -22.8093 -22.8081 -22.1581 -22.1575 -22.1538 -22.1518 -14.2544 -14.2544 -6.4696 -6.4659 -5.7995 -5.7937 -5.6247 -5.6184 -0.9175 -0.8523 0.8823 0.9140 1.1280 1.1764 6.2976 6.2994 7.1018 7.1024 7.3536 7.3599 7.5424 7.5445 7.8914 7.9437 8.4031 8.4058 9.3386 9.3537 9.4730 9.4874 9.5316 9.5745 13.3139 13.3332 14.0589 14.0600 14.1597 14.1620 15.7505 15.7596 k = 0.1780 0.1786 0.5043 ( 2746 PWs) bands (ev): -46.0868 -46.0868 -22.8086 -22.8075 -22.1578 -22.1571 -22.1525 -22.1506 -14.2580 -14.2579 -6.4961 -6.4924 -5.8040 -5.7983 -5.6188 -5.6127 -0.9013 -0.8380 0.9086 0.9419 1.1440 1.1886 6.3034 6.3052 7.1328 7.1334 7.3756 7.3817 7.5649 7.5668 7.9000 7.9521 8.4451 8.4496 9.3436 9.3599 9.4274 9.4436 9.4942 9.5401 13.2581 13.2778 14.0469 14.0481 14.1469 14.1492 15.6660 15.6752 k = 0.1691 0.1696 0.5043 ( 2746 PWs) bands (ev): -46.0868 -46.0868 -22.8079 -22.8068 -22.1575 -22.1568 -22.1513 -22.1494 -14.2614 -14.2614 -6.5216 -6.5181 -5.8083 -5.8027 -5.6125 -5.6067 -0.8861 -0.8247 0.9339 0.9689 1.1582 1.1987 6.3093 6.3111 7.1687 7.1694 7.3955 7.4016 7.5853 7.5868 7.9095 7.9614 8.4881 8.4945 9.3521 9.3652 9.3849 9.3975 9.4575 9.5053 13.2037 13.2236 14.0360 14.0372 14.1350 14.1374 15.5822 15.5915 k = 0.1602 0.1607 0.5043 ( 2746 PWs) bands (ev): -46.0869 -46.0869 -22.8072 -22.8062 -22.1572 -22.1566 -22.1501 -22.1483 -14.2648 -14.2648 -6.5462 -6.5428 -5.8124 -5.8071 -5.6060 -5.6004 -0.8718 -0.8126 0.9581 0.9951 1.1708 1.2067 6.3153 6.3170 7.2092 7.2104 7.4137 7.4197 7.6032 7.6042 7.9200 7.9720 8.5321 8.5405 9.3286 9.3492 9.3638 9.3860 9.4209 9.4700 13.1509 13.1711 14.0259 14.0272 14.1241 14.1265 15.4996 15.5088 k = 0.1513 0.1518 0.5043 ( 2750 PWs) bands (ev): -46.0869 -46.0869 -22.8066 -22.8056 -22.1569 -22.1563 -22.1489 -22.1472 -14.2681 -14.2681 -6.5698 -6.5665 -5.8164 -5.8112 -5.5992 -5.5939 -0.8585 -0.8016 0.9810 1.0202 1.1822 1.2130 6.3213 6.3230 7.2541 7.2560 7.4304 7.4364 7.6184 7.6189 7.9316 7.9838 8.5772 8.5875 9.2798 9.3009 9.3720 9.3887 9.4000 9.4347 13.1001 13.1205 14.0168 14.0182 14.1141 14.1165 15.4182 15.4275 k = 0.1424 0.1429 0.5043 ( 2752 PWs) bands (ev): -46.0870 -46.0870 -22.8060 -22.8050 -22.1566 -22.1560 -22.1478 -22.1461 -14.2712 -14.2712 -6.5923 -6.5892 -5.8202 -5.8152 -5.5924 -5.5872 -0.8462 -0.7917 1.0026 1.0441 1.1924 1.2178 6.3274 6.3290 7.3029 7.3058 7.4457 7.4519 7.6309 7.6310 7.9443 7.9969 8.6234 8.6356 9.2298 9.2517 9.3418 9.3934 9.3959 9.4211 13.0517 13.0721 14.0085 14.0100 14.1051 14.1076 15.3386 15.3478 k = 0.1335 0.1339 0.5043 ( 2752 PWs) bands (ev): -46.0870 -46.0870 -22.8054 -22.8045 -22.1563 -22.1558 -22.1467 -22.1451 -14.2742 -14.2742 -6.6137 -6.6107 -5.8238 -5.8191 -5.5854 -5.5805 -0.8348 -0.7830 1.0226 1.0666 1.2017 1.2213 6.3335 6.3350 7.3554 7.3595 7.4600 7.4663 7.6401 7.6408 7.9582 8.0113 8.6705 8.6845 9.1793 9.2021 9.3025 9.3566 9.4120 9.4377 13.0058 13.0262 14.0011 14.0027 14.0971 14.0996 15.2609 15.2699 k = 0.1246 0.1250 0.5043 ( 2752 PWs) bands (ev): -46.0871 -46.0871 -22.8049 -22.8040 -22.1560 -22.1555 -22.1457 -22.1442 -14.2771 -14.2771 -6.6340 -6.6311 -5.8272 -5.8227 -5.5784 -5.5738 -0.8243 -0.7753 1.0409 1.0876 1.2104 1.2239 6.3395 6.3409 7.4107 7.4166 7.4735 7.4800 7.6468 7.6481 7.9734 8.0272 8.7186 8.7344 9.1285 9.1526 9.2615 9.3173 9.4287 9.4556 12.9629 12.9830 13.9944 13.9962 14.0899 14.0925 15.1854 15.1944 k = 0.1157 0.1161 0.5043 ( 2756 PWs) bands (ev): -46.0871 -46.0871 -22.8043 -22.8035 -22.1558 -22.1553 -22.1447 -22.1433 -14.2798 -14.2798 -6.6530 -6.6503 -5.8304 -5.8262 -5.5715 -5.5672 -0.8148 -0.7687 1.0575 1.1067 1.2187 1.2259 6.3454 6.3468 7.4671 7.4743 7.4885 7.4946 7.6512 7.6530 7.9898 8.0444 8.7675 8.7848 9.0775 9.1033 9.2189 9.2767 9.4449 9.4730 12.9231 12.9429 13.9885 13.9904 14.0837 14.0864 15.1126 15.1213 k = 0.1068 0.1071 0.5043 ( 2754 PWs) bands (ev): -46.0871 -46.0871 -22.8038 -22.8031 -22.1555 -22.1551 -22.1438 -22.1425 -14.2824 -14.2824 -6.6708 -6.6683 -5.8334 -5.8294 -5.5648 -5.5607 -0.8061 -0.7630 1.0722 1.1237 1.2267 1.2279 6.3513 6.3526 7.4959 7.5004 7.5337 7.5415 7.6537 7.6558 8.0075 8.0631 8.8169 8.8358 9.0268 9.0545 9.1750 9.2348 9.4597 9.4889 12.8866 12.9059 13.9834 13.9853 14.0784 14.0811 15.0427 15.0512 k = 0.0979 0.0982 0.5043 ( 2756 PWs) bands (ev): -46.0872 -46.0872 -22.8034 -22.8027 -22.1553 -22.1549 -22.1429 -22.1417 -14.2848 -14.2848 -6.6873 -6.6850 -5.8361 -5.8325 -5.5582 -5.5545 -0.7983 -0.7584 1.0850 1.1380 1.2303 1.2345 6.3569 6.3581 7.5072 7.5130 7.5938 7.6062 7.6550 7.6568 8.0264 8.0831 8.8666 8.8869 8.9764 9.0065 9.1296 9.1916 9.4725 9.5026 12.8537 12.8724 13.9789 13.9808 14.0739 14.0766 14.9762 14.9844 k = 0.0890 0.0893 0.5043 ( 2756 PWs) bands (ev): -46.0872 -46.0872 -22.8029 -22.8023 -22.1551 -22.1547 -22.1421 -22.1410 -14.2870 -14.2870 -6.7025 -6.7003 -5.8387 -5.8353 -5.5519 -5.5485 -0.7912 -0.7546 1.0961 1.1493 1.2338 1.2423 6.3623 6.3634 7.5175 7.5238 7.6435 7.6558 7.6676 7.6731 8.0465 8.1044 8.9149 8.9280 8.9377 8.9596 9.0829 9.1474 9.4827 9.5135 12.8243 12.8422 13.9750 13.9770 14.0702 14.0728 14.9135 14.9212 k = 0.0801 0.0804 0.5043 ( 2752 PWs) bands (ev): -46.0872 -46.0872 -22.8025 -22.8019 -22.1549 -22.1545 -22.1413 -22.1403 -14.2890 -14.2890 -6.7163 -6.7143 -5.8410 -5.8379 -5.5460 -5.5429 -0.7849 -0.7516 1.1055 1.1573 1.2386 1.2499 6.3674 6.3685 7.5272 7.5338 7.6474 7.6541 7.7257 7.7406 8.0676 8.1268 8.8769 8.9141 8.9665 8.9868 9.0364 9.1022 9.4898 9.5212 12.7987 12.8156 13.9716 13.9736 14.0672 14.0697 14.8548 14.8621 k = 0.0712 0.0714 0.5043 ( 2756 PWs) bands (ev): -46.0872 -46.0872 -22.8021 -22.8016 -22.1547 -22.1544 -22.1407 -22.1398 -14.2908 -14.2908 -6.7287 -6.7270 -5.8430 -5.8402 -5.5405 -5.5377 -0.7792 -0.7494 1.1135 1.1621 1.2448 1.2572 6.3722 6.3731 7.5364 7.5432 7.6446 7.6511 7.7894 7.8088 8.0896 8.1502 8.8289 8.8704 8.9821 9.0151 9.0418 9.0564 9.4933 9.5251 12.7767 12.7923 13.9688 13.9708 14.0648 14.0673 14.8008 14.8075 k = 0.0623 0.0625 0.5043 ( 2752 PWs) bands (ev): -46.0873 -46.0873 -22.8018 -22.8013 -22.1545 -22.1542 -22.1400 -22.1392 -14.2925 -14.2925 -6.7397 -6.7382 -5.8448 -5.8424 -5.5354 -5.5330 -0.7741 -0.7479 1.1203 1.1643 1.2519 1.2640 6.3765 6.3774 7.5450 7.5522 7.6406 7.6472 7.8529 7.8766 8.1123 8.1741 8.7824 8.8289 8.9333 9.0089 9.0642 9.0896 9.4930 9.5250 12.7582 12.7724 13.9665 13.9683 14.0630 14.0653 14.7518 14.7579 k = 0.0534 0.0536 0.5043 ( 2762 PWs) bands (ev): -46.0873 -46.0873 -22.8015 -22.8012 -22.1544 -22.1542 -22.1395 -22.1388 -14.2939 -14.2939 -6.7493 -6.7480 -5.8463 -5.8442 -5.5309 -5.5288 -0.7696 -0.7470 1.1260 1.1645 1.2592 1.2703 6.3804 6.3812 7.5532 7.5606 7.6358 7.6428 7.9149 7.9431 8.1355 8.1981 8.7378 8.7901 8.8834 8.9625 9.1108 9.1370 9.4887 9.5206 12.7430 12.7557 13.9646 13.9663 14.0617 14.0637 14.7082 14.7137 k = 0.0445 0.0446 0.5043 ( 2766 PWs) bands (ev): -46.0873 -46.0873 -22.8013 -22.8010 -22.1543 -22.1541 -22.1391 -22.1385 -14.2951 -14.2951 -6.7574 -6.7563 -5.8476 -5.8459 -5.5270 -5.5252 -0.7656 -0.7467 1.1310 1.1634 1.2663 1.2758 6.3838 6.3844 7.5610 7.5685 7.6306 7.6378 7.9743 8.0069 8.1587 8.2213 8.6959 8.7543 8.8345 8.9165 9.1559 9.1825 9.4806 9.5121 12.7310 12.7419 13.9631 13.9646 14.0608 14.0626 14.6706 14.6753 k = 0.0356 0.0357 0.5043 ( 2766 PWs) bands (ev): -46.0873 -46.0873 -22.8011 -22.8008 -22.1542 -22.1540 -22.1387 -22.1382 -14.2961 -14.2961 -6.7640 -6.7631 -5.8486 -5.8472 -5.5237 -5.5222 -0.7621 -0.7469 1.1353 1.1614 1.2726 1.2803 6.3867 6.3872 7.5684 7.5760 7.6252 7.6325 8.0297 8.0660 8.1818 8.2426 8.6579 8.7209 8.7897 8.8720 9.1988 9.2254 9.4688 9.4996 12.7219 12.7309 13.9620 13.9632 14.0602 14.0617 14.6393 14.6431 k = 0.0267 0.0268 0.5043 ( 2758 PWs) bands (ev): -46.0873 -46.0873 -22.8009 -22.8007 -22.1541 -22.1540 -22.1383 -22.1380 -14.2969 -14.2969 -6.7692 -6.7685 -5.8494 -5.8483 -5.5210 -5.5199 -0.7589 -0.7475 1.1393 1.1589 1.2780 1.2838 6.3889 6.3893 7.5755 7.5829 7.6197 7.6270 8.0795 8.1168 8.2050 8.2602 8.6259 8.6877 8.7543 8.8302 9.2387 9.2647 9.4543 9.4834 12.7155 12.7223 13.9612 13.9621 14.0599 14.0610 14.6146 14.6175 k = 0.0178 0.0179 0.5043 ( 2758 PWs) bands (ev): -46.0873 -46.0873 -22.8007 -22.8006 -22.1540 -22.1539 -22.1380 -22.1378 -14.2974 -14.2974 -6.7728 -6.7724 -5.8499 -5.8492 -5.5190 -5.5183 -0.7562 -0.7485 1.1430 1.1561 1.2822 1.2860 6.3906 6.3908 7.5821 7.5889 7.6147 7.6214 8.1215 8.1534 8.2290 8.2722 8.6030 8.6531 8.7341 8.7928 9.2747 9.2981 9.4389 9.4644 12.7114 12.7160 13.9607 13.9613 14.0597 14.0605 14.5969 14.5988 k = 0.0089 0.0089 0.5043 ( 2758 PWs) bands (ev): -46.0873 -46.0873 -22.8006 -22.8006 -22.1540 -22.1539 -22.1379 -22.1378 -14.2978 -14.2978 -6.7750 -6.7748 -5.8501 -5.8497 -5.5177 -5.5174 -0.7537 -0.7499 1.1465 1.1530 1.2851 1.2871 6.3916 6.3918 7.5879 7.5927 7.6114 7.6161 8.1527 8.1712 8.2525 8.2760 8.5931 8.6213 8.7301 8.7620 9.3043 9.3203 9.4277 9.4447 12.7095 12.7118 13.9605 13.9608 14.0597 14.0601 14.5863 14.5873 k = 0.0000 0.0000 0.5043 ( 2762 PWs) bands (ev): -46.0873 -46.0873 -22.8006 -22.8006 -22.1540 -22.1540 -22.1378 -22.1378 -14.2979 -14.2979 -6.7756 -6.7756 -5.8501 -5.8501 -5.5172 -5.5172 -0.7517 -0.7517 1.1498 1.1498 1.2868 1.2868 6.3920 6.3920 7.5922 7.5922 7.6121 7.6121 8.1702 8.1702 8.2695 8.2695 8.5995 8.5995 8.7402 8.7402 9.3225 9.3225 9.4296 9.4296 12.7097 12.7097 13.9605 13.9605 14.0599 14.0599 14.5831 14.5831 k = 0.0000 0.0000 0.5043 ( 2762 PWs) bands (ev): -46.0873 -46.0873 -22.8006 -22.8006 -22.1540 -22.1540 -22.1378 -22.1378 -14.2979 -14.2979 -6.7756 -6.7756 -5.8501 -5.8501 -5.5172 -5.5172 -0.7517 -0.7517 1.1498 1.1498 1.2868 1.2868 6.3920 6.3920 7.5922 7.5922 7.6121 7.6121 8.1702 8.1702 8.2695 8.2695 8.5995 8.5995 8.7402 8.7402 9.3225 9.3225 9.4296 9.4296 12.7097 12.7097 13.9605 13.9605 14.0599 14.0599 14.5831 14.5831 k = 0.0000 0.0000 0.4917 ( 2758 PWs) bands (ev): -46.0873 -46.0873 -22.8006 -22.8005 -22.1539 -22.1538 -22.1378 -22.1378 -14.2981 -14.2981 -6.7752 -6.7750 -5.8501 -5.8501 -5.5181 -5.5178 -0.7520 -0.7519 1.1494 1.1495 1.2859 1.2866 6.3943 6.3947 7.5931 7.5931 7.6130 7.6133 8.1690 8.1742 8.2701 8.2708 8.5993 8.6011 8.7397 8.7416 9.3231 9.3238 9.4302 9.4305 12.7093 12.7096 13.9577 13.9585 14.0569 14.0579 14.5830 14.5838 k = 0.0000 0.0000 0.4791 ( 2758 PWs) bands (ev): -46.0873 -46.0873 -22.8006 -22.8004 -22.1538 -22.1536 -22.1378 -22.1378 -14.2987 -14.2987 -6.7737 -6.7732 -5.8503 -5.8503 -5.5206 -5.5199 -0.7530 -0.7528 1.1484 1.1485 1.2839 1.2854 6.4015 6.4022 7.5957 7.5959 7.6159 7.6165 8.1705 8.1808 8.2725 8.2739 8.6006 8.6040 8.7401 8.7440 9.3257 9.3273 9.4324 9.4329 12.7086 12.7090 13.9500 13.9516 14.0490 14.0511 14.5832 14.5848 k = 0.0000 0.0000 0.4665 ( 2750 PWs) bands (ev): -46.0873 -46.0873 -22.8004 -22.8002 -22.1535 -22.1533 -22.1378 -22.1378 -14.2996 -14.2996 -6.7710 -6.7703 -5.8506 -5.8506 -5.5246 -5.5235 -0.7545 -0.7543 1.1468 1.1469 1.2810 1.2832 6.4136 6.4147 7.6002 7.6005 7.6210 7.6218 8.1745 8.1900 8.2767 8.2788 8.6032 8.6082 8.7416 8.7474 9.3304 9.3327 9.4361 9.4368 12.7074 12.7081 13.9376 13.9400 14.0363 14.0394 14.5840 14.5863 k = 0.0000 0.0000 0.4539 ( 2752 PWs) bands (ev): -46.0874 -46.0874 -22.8003 -22.8000 -22.1531 -22.1528 -22.1378 -22.1378 -14.3010 -14.3010 -6.7673 -6.7663 -5.8510 -5.8510 -5.5300 -5.5286 -0.7567 -0.7564 1.1445 1.1446 1.2771 1.2800 6.4305 6.4319 7.6063 7.6068 7.6282 7.6290 8.1812 8.2018 8.2826 8.2855 8.6074 8.6138 8.7441 8.7518 9.3369 9.3402 9.4412 9.4423 12.7058 12.7067 13.9206 13.9237 14.0190 14.0230 14.5851 14.5880 k = 0.0000 0.0000 0.4413 ( 2750 PWs) bands (ev): -46.0874 -46.0874 -22.8001 -22.7998 -22.1527 -22.1523 -22.1379 -22.1378 -14.3027 -14.3027 -6.7626 -6.7613 -5.8515 -5.8515 -5.5368 -5.5351 -0.7594 -0.7590 1.1416 1.1418 1.2722 1.2758 6.4521 6.4539 7.6141 7.6148 7.6374 7.6382 8.1903 8.2160 8.2903 8.2941 8.6130 8.6207 8.7479 8.7574 9.3453 9.3497 9.4479 9.4493 12.7038 12.7049 13.8989 13.9028 13.9972 14.0020 14.5865 14.5900 k = 0.0000 0.0000 0.4287 ( 2756 PWs) bands (ev): -46.0874 -46.0874 -22.7999 -22.7995 -22.1521 -22.1517 -22.1379 -22.1379 -14.3048 -14.3048 -6.7568 -6.7553 -5.8521 -5.8521 -5.5450 -5.5429 -0.7627 -0.7623 1.1381 1.1383 1.2664 1.2706 6.4783 6.4805 7.6234 7.6244 7.6486 7.6493 8.2017 8.2325 8.2998 8.3044 8.6202 8.6289 8.7529 8.7643 9.3556 9.3612 9.4561 9.4577 12.7014 12.7027 13.8729 13.8775 13.9711 13.9765 14.5881 14.5921 k = 0.0000 0.0000 0.4160 ( 2762 PWs) bands (ev): -46.0874 -46.0874 -22.7997 -22.7992 -22.1515 -22.1510 -22.1380 -22.1380 -14.3073 -14.3072 -6.7501 -6.7484 -5.8528 -5.8528 -5.5544 -5.5520 -0.7666 -0.7661 1.1340 1.1343 1.2597 1.2645 6.5090 6.5116 7.6342 7.6354 7.6617 7.6622 8.2153 8.2510 8.3109 8.3164 8.6289 8.6385 8.7595 8.7725 9.3675 9.3745 9.4656 9.4677 12.6986 12.7002 13.8426 13.8479 13.9408 13.9468 14.5900 14.5943 k = 0.0000 0.0000 0.4034 ( 2766 PWs) bands (ev): -46.0874 -46.0874 -22.7994 -22.7988 -22.1508 -22.1502 -22.1381 -22.1380 -14.3101 -14.3100 -6.7426 -6.7406 -5.8536 -5.8536 -5.5650 -5.5623 -0.7710 -0.7704 1.1294 1.1297 1.2521 1.2575 6.5439 6.5469 7.6464 7.6478 7.6766 7.6768 8.2309 8.2713 8.3237 8.3300 8.6393 8.6493 8.7678 8.7824 9.3812 9.3898 9.4767 9.4792 12.6955 12.6973 13.8082 13.8142 13.9066 13.9131 14.5919 14.5965 k = 0.0000 0.0000 0.3908 ( 2762 PWs) bands (ev): -46.0875 -46.0875 -22.7990 -22.7984 -22.1499 -22.1492 -22.1381 -22.1381 -14.3131 -14.3131 -6.7342 -6.7320 -5.8545 -5.8545 -5.5766 -5.5736 -0.7759 -0.7753 1.1243 1.1246 1.2437 1.2496 6.5830 6.5864 7.6598 7.6614 7.6930 7.6933 8.2485 8.2931 8.3382 8.3452 8.6514 8.6615 8.7781 8.7941 9.3964 9.4069 9.4891 9.4921 12.6920 12.6940 13.7701 13.7766 13.8687 13.8756 14.5939 14.5987 k = 0.0000 0.0000 0.3782 ( 2758 PWs) bands (ev): -46.0875 -46.0875 -22.7986 -22.7979 -22.1489 -22.1482 -22.1382 -22.1381 -14.3165 -14.3165 -6.7250 -6.7226 -5.8555 -5.8555 -5.5892 -5.5859 -0.7812 -0.7806 1.1187 1.1190 1.2346 1.2409 6.6259 6.6298 7.6744 7.6760 7.7108 7.7115 8.2678 8.3159 8.3546 8.3620 8.6651 8.6749 8.7906 8.8078 9.4131 9.4258 9.5029 9.5064 12.6882 12.6905 13.7283 13.7354 13.8273 13.8345 14.5958 14.6008 k = 0.0000 0.0000 0.3656 ( 2758 PWs) bands (ev): -46.0875 -46.0875 -22.7981 -22.7974 -22.1478 -22.1471 -22.1382 -22.1381 -14.3202 -14.3201 -6.7152 -6.7126 -5.8566 -5.8565 -5.6025 -5.5990 -0.7870 -0.7865 1.1127 1.1130 1.2248 1.2315 6.6725 6.6769 7.6900 7.6916 7.7300 7.7311 8.2887 8.3391 8.3728 8.3801 8.6804 8.6896 8.8058 8.8236 9.4313 9.4463 9.5181 9.5222 12.6841 12.6867 13.6833 13.6908 13.7827 13.7901 14.5977 14.6028 k = 0.0000 0.0000 0.3530 ( 2765 PWs) bands (ev): -46.0876 -46.0876 -22.7977 -22.7969 -22.1468 -22.1460 -22.1383 -22.1382 -14.3241 -14.3240 -6.7049 -6.7020 -5.8577 -5.8577 -5.6166 -5.6129 -0.7932 -0.7927 1.1063 1.1066 1.2144 1.2214 6.7225 6.7274 7.7065 7.7078 7.7503 7.7518 8.3111 8.3624 8.3932 8.3995 8.6974 8.7055 8.8238 8.8418 9.4507 9.4684 9.5347 9.5394 12.6798 12.6826 13.6352 13.6432 13.7350 13.7426 14.5996 14.6046 k = 0.0000 0.0000 0.3404 ( 2761 PWs) bands (ev): -46.0876 -46.0876 -22.7972 -22.7964 -22.1456 -22.1448 -22.1383 -22.1382 -14.3282 -14.3281 -6.6940 -6.6910 -5.8589 -5.8589 -5.6312 -5.6272 -0.7998 -0.7993 1.0995 1.0999 1.2035 1.2107 6.7756 6.7810 7.7236 7.7247 7.7717 7.7737 8.3348 8.3855 8.4155 8.4200 8.7158 8.7227 8.8451 8.8625 9.4713 9.4919 9.5526 9.5579 12.6752 12.6783 13.5844 13.5927 13.6845 13.6923 14.6013 14.6064 k = 0.0000 0.0000 0.3278 ( 2761 PWs) bands (ev): -46.0876 -46.0876 -22.7966 -22.7958 -22.1443 -22.1435 -22.1384 -22.1383 -14.3325 -14.3324 -6.6828 -6.6796 -5.8602 -5.8602 -5.6462 -5.6420 -0.8068 -0.8063 1.0925 1.0929 1.1920 1.1995 6.8314 6.8374 7.7413 7.7419 7.7940 7.7963 8.3597 8.4084 8.4395 8.4417 8.7357 8.7411 8.8698 8.8857 9.4929 9.5168 9.5718 9.5779 12.6704 12.6739 13.5311 13.5399 13.6314 13.6393 14.6030 14.6079 k = 0.0000 0.0000 0.3152 ( 2757 PWs) bands (ev): -46.0877 -46.0877 -22.7961 -22.7952 -22.1430 -22.1422 -22.1385 -22.1383 -14.3370 -14.3369 -6.6714 -6.6680 -5.8615 -5.8615 -5.6614 -5.6570 -0.8140 -0.8136 1.0852 1.0856 1.1802 1.1878 6.8897 6.8964 7.7594 7.7594 7.8168 7.8195 8.3858 8.4314 8.4643 8.4645 8.7569 8.7609 8.8982 8.9116 9.5155 9.5427 9.5925 9.5991 12.6654 12.6692 13.4758 13.4848 13.5761 13.5840 14.6045 14.6094 k = 0.0000 0.0000 0.3026 ( 2765 PWs) bands (ev): -46.0877 -46.0877 -22.7956 -22.7947 -22.1416 -22.1410 -22.1386 -22.1383 -14.3416 -14.3415 -6.6598 -6.6563 -5.8629 -5.8628 -5.6767 -5.6721 -0.8215 -0.8211 1.0777 1.0781 1.1680 1.1757 6.9501 6.9575 7.7770 7.7777 7.8400 7.8430 8.4130 8.4550 8.4878 8.4902 8.7794 8.7818 8.9302 8.9400 9.5389 9.5695 9.6148 9.6217 12.6602 12.6644 13.4188 13.4280 13.5186 13.5266 14.6060 14.6107 k = 0.0000 0.0000 0.2900 ( 2769 PWs) bands (ev): -46.0878 -46.0878 -22.7950 -22.7941 -22.1402 -22.1400 -22.1387 -22.1380 -14.3463 -14.3462 -6.6482 -6.6445 -5.8643 -5.8642 -5.6919 -5.6872 -0.8292 -0.8289 1.0700 1.0704 1.1555 1.1633 7.0122 7.0204 7.7944 7.7961 7.8634 7.8666 8.4412 8.4792 8.5121 8.5162 8.8029 8.8039 8.9658 8.9709 9.5630 9.5967 9.6389 9.6455 12.6549 12.6595 13.3604 13.3698 13.4595 13.4675 14.6073 14.6119 k = 0.0000 0.0000 0.2774 ( 2769 PWs) bands (ev): -46.0878 -46.0878 -22.7944 -22.7935 -22.1394 -22.1389 -22.1388 -22.1372 -14.3511 -14.3510 -6.6368 -6.6329 -5.8657 -5.8657 -5.7069 -5.7021 -0.8371 -0.8369 1.0623 1.0626 1.1429 1.1506 7.0756 7.0848 7.8117 7.8144 7.8867 7.8901 8.4704 8.5042 8.5372 8.5424 8.8271 8.8274 9.0041 9.0048 9.5876 9.6239 9.6649 9.6705 12.6494 12.6545 13.3011 13.3106 13.3988 13.4068 14.6085 14.6129 k = 0.0000 0.0000 0.2648 ( 2777 PWs) bands (ev): -46.0879 -46.0879 -22.7938 -22.7929 -22.1393 -22.1390 -22.1373 -22.1360 -14.3559 -14.3558 -6.6255 -6.6216 -5.8672 -5.8671 -5.7215 -5.7166 -0.8451 -0.8450 1.0545 1.0548 1.1301 1.1378 7.1399 7.1502 7.8286 7.8325 7.9096 7.9132 8.5006 8.5302 8.5631 8.5689 8.8513 8.8527 9.0395 9.0468 9.6127 9.6507 9.6932 9.6967 12.6437 12.6494 13.2413 13.2507 13.3369 13.3449 14.6096 14.6139 k = 0.0000 0.0000 0.2522 ( 2773 PWs) bands (ev): -46.0879 -46.0879 -22.7932 -22.7923 -22.1392 -22.1390 -22.1358 -22.1346 -14.3608 -14.3607 -6.6146 -6.6106 -5.8686 -5.8685 -5.7355 -5.7306 -0.8532 -0.8532 1.0466 1.0470 1.1174 1.1249 7.2048 7.2163 7.8450 7.8503 7.9320 7.9357 8.5317 8.5572 8.5898 8.5957 8.8763 8.8788 9.0769 9.0914 9.6381 9.6771 9.7235 9.7239 12.6379 12.6442 13.1814 13.1907 13.2741 13.2822 14.6106 14.6147 k = 0.0000 0.0000 0.2395 ( 2769 PWs) bands (ev): -46.0879 -46.0879 -22.7926 -22.7917 -22.1393 -22.1391 -22.1343 -22.1331 -14.3657 -14.3655 -6.6041 -6.6001 -5.8701 -5.8700 -5.7490 -5.7441 -0.8614 -0.8613 1.0389 1.0392 1.1047 1.1120 7.2696 7.2825 7.8610 7.8677 7.9537 7.9574 8.5637 8.5851 8.6174 8.6228 8.9020 8.9053 9.1160 9.1383 9.6636 9.7029 9.7520 9.7555 12.6320 12.6391 13.1218 13.1310 13.2108 13.2188 14.6116 14.6154 k = 0.0000 0.0000 0.2269 ( 2769 PWs) bands (ev): -46.0880 -46.0880 -22.7920 -22.7911 -22.1393 -22.1392 -22.1328 -22.1317 -14.3705 -14.3704 -6.5942 -6.5901 -5.8715 -5.8714 -5.7616 -5.7567 -0.8696 -0.8694 1.0312 1.0315 1.0921 1.0993 7.3340 7.3485 7.8763 7.8847 7.9743 7.9780 8.5963 8.6140 8.6457 8.6503 8.9280 8.9322 9.1567 9.1869 9.6891 9.7284 9.7808 9.7887 12.6258 12.6338 13.0632 13.0720 13.1471 13.1553 14.6124 14.6161 k = 0.0000 0.0000 0.2143 ( 2769 PWs) bands (ev): -46.0880 -46.0880 -22.7914 -22.7905 -22.1394 -22.1393 -22.1313 -22.1302 -14.3752 -14.3751 -6.5849 -6.5809 -5.8729 -5.8728 -5.7734 -5.7686 -0.8777 -0.8775 1.0236 1.0239 1.0797 1.0866 7.3975 7.4137 7.8910 7.9013 7.9939 7.9976 8.6296 8.6437 8.6749 8.6783 8.9542 8.9591 9.1985 9.2368 9.7145 9.7537 9.8102 9.8227 12.6194 12.6285 13.0060 13.0142 13.0836 13.0918 14.6131 14.6166 k = 0.0000 0.0000 0.2017 ( 2761 PWs) bands (ev): -46.0881 -46.0881 -22.7908 -22.7899 -22.1394 -22.1393 -22.1298 -22.1287 -14.3798 -14.3797 -6.5764 -6.5724 -5.8743 -5.8742 -5.7843 -5.7795 -0.8857 -0.8854 1.0162 1.0165 1.0676 1.0742 7.4594 7.4777 7.9052 7.9176 8.0122 8.0158 8.6633 8.6742 8.7048 8.7068 8.9803 8.9859 9.2413 9.2876 9.7397 9.7787 9.8398 9.8570 12.6127 12.6231 12.9507 12.9582 13.0205 13.0290 14.6138 14.6171 k = 0.0000 0.0000 0.1891 ( 2761 PWs) bands (ev): -46.0881 -46.0881 -22.7902 -22.7894 -22.1395 -22.1394 -22.1284 -22.1273 -14.3844 -14.3843 -6.5686 -6.5646 -5.8757 -5.8756 -5.7941 -5.7895 -0.8935 -0.8932 1.0091 1.0093 1.0558 1.0622 7.5194 7.5398 7.9189 7.9336 8.0291 8.0328 8.6972 8.7053 8.7352 8.7356 9.0060 9.0121 9.2849 9.3389 9.7645 9.8034 9.8693 9.8910 12.6055 12.6176 12.8979 12.9046 12.9582 12.9670 14.6144 14.6175 k = 0.0000 0.0000 0.1765 ( 2765 PWs) bands (ev): -46.0881 -46.0881 -22.7897 -22.7889 -22.1396 -22.1395 -22.1270 -22.1260 -14.3887 -14.3886 -6.5616 -6.5578 -5.8770 -5.8769 -5.8029 -5.7984 -0.9011 -0.9007 1.0022 1.0024 1.0444 1.0505 7.5767 7.5996 7.9322 7.9495 8.0448 8.0483 8.7313 8.7369 8.7647 8.7660 9.0310 9.0377 9.3291 9.3903 9.7888 9.8277 9.8983 9.9242 12.5978 12.6118 12.8482 12.8538 12.8970 12.9066 14.6150 14.6179 k = 0.0000 0.0000 0.1639 ( 2765 PWs) bands (ev): -46.0882 -46.0882 -22.7892 -22.7884 -22.1396 -22.1396 -22.1257 -22.1247 -14.3929 -14.3928 -6.5555 -6.5518 -5.8782 -5.8781 -5.8106 -5.8063 -0.9085 -0.9080 0.9956 0.9958 1.0336 1.0393 7.6308 7.6564 7.9455 7.9655 8.0590 8.0624 8.7652 8.7688 8.7938 8.7969 9.0551 9.0622 9.3736 9.4416 9.8123 9.8517 9.9263 9.9559 12.5892 12.6058 12.8018 12.8066 12.8375 12.8485 14.6155 14.6182 k = 0.0000 0.0000 0.1513 ( 2765 PWs) bands (ev): -46.0882 -46.0882 -22.7886 -22.7879 -22.1397 -22.1396 -22.1244 -22.1235 -14.3969 -14.3968 -6.5501 -6.5466 -5.8794 -5.8793 -5.8172 -5.8132 -0.9155 -0.9150 0.9893 0.9895 1.0233 1.0286 7.6811 7.7093 7.9591 7.9819 8.0718 8.0752 8.7987 8.8007 8.8227 8.8275 9.0780 9.0855 9.4184 9.4924 9.8349 9.8750 9.9529 9.9857 12.5796 12.5992 12.7582 12.7636 12.7800 12.7945 14.6159 14.6184 k = 0.0000 0.0000 0.1387 ( 2761 PWs) bands (ev): -46.0882 -46.0882 -22.7881 -22.7875 -22.1397 -22.1397 -22.1231 -22.1223 -14.4006 -14.4006 -6.5456 -6.5423 -5.8806 -5.8805 -5.8228 -5.8190 -0.9221 -0.9216 0.9834 0.9836 1.0135 1.0185 7.7268 7.7576 7.9735 7.9988 8.0834 8.0867 8.8317 8.8324 8.8510 8.8575 9.0994 9.1073 9.4631 9.5426 9.8564 9.8976 9.9775 10.0127 12.5689 12.5917 12.7148 12.7249 12.7255 12.7480 14.6163 14.6186 k = 0.0000 0.0000 0.1261 ( 2745 PWs) bands (ev): -46.0883 -46.0883 -22.7876 -22.7870 -22.1397 -22.1397 -22.1219 -22.1211 -14.4041 -14.4041 -6.5418 -6.5387 -5.8816 -5.8815 -5.8275 -5.8240 -0.9284 -0.9278 0.9780 0.9781 1.0045 1.0090 7.7675 7.8001 7.9895 8.0166 8.0936 8.0969 8.8636 8.8637 8.8786 8.8866 9.1192 9.1273 9.5078 9.5920 9.8765 9.9194 9.9996 10.0364 12.5570 12.5829 12.6688 12.6729 12.6930 12.7128 14.6167 14.6188 k = 0.0000 0.0000 0.1135 ( 2749 PWs) bands (ev): -46.0883 -46.0883 -22.7872 -22.7866 -22.1398 -22.1398 -22.1208 -22.1201 -14.4074 -14.4073 -6.5387 -6.5359 -5.8826 -5.8825 -5.8313 -5.8281 -0.9341 -0.9336 0.9729 0.9731 0.9962 1.0002 7.8027 7.8358 8.0075 8.0351 8.1026 8.1060 8.8938 8.8944 8.9050 8.9144 9.1371 9.1453 9.5522 9.6404 9.8948 9.9401 10.0186 10.0561 12.5443 12.5720 12.6224 12.6247 12.6668 12.6867 14.6170 14.6189 k = 0.0000 0.0000 0.1009 ( 2749 PWs) bands (ev): -46.0883 -46.0883 -22.7868 -22.7863 -22.1398 -22.1398 -22.1199 -22.1192 -14.4103 -14.4102 -6.5362 -6.5337 -5.8834 -5.8834 -5.8343 -5.8314 -0.9394 -0.9389 0.9683 0.9685 0.9886 0.9922 7.8324 7.8644 8.0278 8.0544 8.1104 8.1140 8.9227 8.9234 8.9300 8.9407 9.1529 9.1612 9.5962 9.6877 9.9109 9.9596 10.0343 10.0712 12.5316 12.5572 12.5785 12.5828 12.6468 12.6672 14.6173 14.6189 k = 0.0000 0.0000 0.0883 ( 2749 PWs) bands (ev): -46.0884 -46.0884 -22.7865 -22.7860 -22.1399 -22.1399 -22.1190 -22.1184 -14.4129 -14.4129 -6.5343 -6.5320 -5.8842 -5.8842 -5.8366 -5.8341 -0.9442 -0.9437 0.9642 0.9643 0.9818 0.9850 7.8567 7.8861 8.0500 8.0736 8.1172 8.1210 8.9497 8.9500 8.9535 8.9652 9.1666 9.1748 9.6394 9.7337 9.9245 9.9776 10.0463 10.0814 12.5185 12.5299 12.5395 12.5568 12.6323 12.6522 14.6176 14.6190 k = 0.0000 0.0000 0.0756 ( 2755 PWs) bands (ev): -46.0884 -46.0884 -22.7862 -22.7858 -22.1399 -22.1399 -22.1182 -22.1177 -14.4152 -14.4152 -6.5328 -6.5309 -5.8849 -5.8849 -5.8384 -5.8362 -0.9483 -0.9479 0.9607 0.9607 0.9759 0.9787 7.8763 7.9018 8.0726 8.0920 8.1229 8.1272 8.9725 8.9735 8.9769 8.9879 9.1781 9.1860 9.6817 9.7783 9.9348 9.9942 10.0548 10.0861 12.4957 12.4959 12.5160 12.5427 12.6221 12.6405 14.6178 14.6190 k = 0.0000 0.0000 0.0630 ( 2761 PWs) bands (ev): -46.0884 -46.0884 -22.7860 -22.7856 -22.1400 -22.1400 -22.1176 -22.1172 -14.4172 -14.4172 -6.5317 -6.5301 -5.8855 -5.8855 -5.8396 -5.8378 -0.9519 -0.9515 0.9576 0.9577 0.9709 0.9732 7.8918 7.9129 8.0943 8.1084 8.1276 8.1332 8.9912 8.9935 8.9995 9.0086 9.1875 9.1948 9.7227 9.8213 9.9411 10.0089 10.0599 10.0853 12.4646 12.4659 12.5071 12.5318 12.6149 12.6312 14.6180 14.6190 k = 0.0000 0.0000 0.0504 ( 2769 PWs) bands (ev): -46.0884 -46.0884 -22.7858 -22.7855 -22.1400 -22.1400 -22.1171 -22.1167 -14.4189 -14.4188 -6.5309 -6.5295 -5.8860 -5.8860 -5.8405 -5.8390 -0.9549 -0.9546 0.9551 0.9551 0.9668 0.9686 7.9038 7.9205 8.1136 8.1211 8.1316 8.1394 9.0069 9.0097 9.0194 9.0268 9.1949 9.2014 9.7620 9.8624 9.9427 10.0219 10.0623 10.0790 12.4383 12.4396 12.5023 12.5232 12.6098 12.6236 14.6182 14.6189 k = 0.0000 0.0000 0.0378 ( 2769 PWs) bands (ev): -46.0884 -46.0884 -22.7856 -22.7854 -22.1401 -22.1401 -22.1166 -22.1163 -14.4201 -14.4201 -6.5303 -6.5293 -5.8864 -5.8864 -5.8410 -5.8399 -0.9572 -0.9569 0.9531 0.9531 0.9636 0.9650 7.9131 7.9253 8.1288 8.1292 8.1355 8.1465 9.0194 9.0220 9.0361 9.0418 9.2004 9.2058 9.7991 9.9012 9.9389 10.0329 10.0626 10.0672 12.4174 12.4184 12.5001 12.5165 12.6066 12.6174 14.5973 14.5995 k = 0.0000 0.0000 0.0252 ( 2773 PWs) bands (ev): -46.0884 -46.0884 -22.7855 -22.7853 -22.1401 -22.1401 -22.1163 -22.1161 -14.4211 -14.4210 -6.5298 -6.5292 -5.8867 -5.8866 -5.8413 -5.8405 -0.9588 -0.9587 0.9517 0.9517 0.9614 0.9623 7.9199 7.9280 8.1336 8.1349 8.1440 8.1527 9.0286 9.0306 9.0488 9.0528 9.2044 9.2083 9.8334 9.9271 9.9395 10.0415 10.0506 10.0614 12.4023 12.4030 12.4998 12.5112 12.6050 12.6125 14.5727 14.5743 k = 0.0000 0.0000 0.0126 ( 2773 PWs) bands (ev): -46.0884 -46.0884 -22.7854 -22.7853 -22.1401 -22.1401 -22.1160 -22.1160 -14.4216 -14.4216 -6.5295 -6.5292 -5.8868 -5.8868 -5.8413 -5.8409 -0.9598 -0.9597 0.9508 0.9508 0.9601 0.9606 7.9247 7.9287 8.1358 8.1365 8.1520 8.1563 9.0345 9.0356 9.0572 9.0592 9.2071 9.2091 9.8642 9.9122 9.9719 10.0280 10.0495 10.0588 12.3932 12.3936 12.5012 12.5070 12.6048 12.6087 14.5579 14.5586 k = 0.0000 0.0000 0.0000 ( 2781 PWs) bands (ev): -46.0885 -46.0885 -22.7853 -22.7853 -22.1401 -22.1401 -22.1160 -22.1160 -14.4218 -14.4218 -6.5293 -6.5293 -5.8869 -5.8869 -5.8412 -5.8412 -0.9601 -0.9601 0.9506 0.9506 0.9599 0.9599 7.9276 7.9276 8.1367 8.1367 8.1562 8.1562 9.0368 9.0368 9.0607 9.0607 9.2087 9.2087 9.8907 9.8907 10.0019 10.0019 10.0549 10.0549 12.3903 12.3903 12.5036 12.5036 12.6061 12.6061 14.5531 14.5531 k = 0.0000 0.0000 0.0000 ( 2781 PWs) bands (ev): -46.0885 -46.0885 -22.7853 -22.7853 -22.1401 -22.1401 -22.1160 -22.1160 -14.4218 -14.4218 -6.5293 -6.5293 -5.8869 -5.8869 -5.8412 -5.8412 -0.9601 -0.9601 0.9506 0.9506 0.9599 0.9599 7.9276 7.9276 8.1367 8.1367 8.1562 8.1562 9.0368 9.0368 9.0607 9.0607 9.2087 9.2087 9.8907 9.8907 10.0019 10.0019 10.0549 10.0549 12.3903 12.3903 12.5036 12.5036 12.6061 12.6061 14.5531 14.5531 k =-0.0089 0.0089 0.0000 ( 2779 PWs) bands (ev): -46.0884 -46.0884 -22.7854 -22.7854 -22.1402 -22.1402 -22.1160 -22.1160 -14.4216 -14.4216 -6.5293 -6.5293 -5.8868 -5.8868 -5.8412 -5.8412 -0.9598 -0.9598 0.9510 0.9510 0.9602 0.9602 7.9265 7.9265 8.1351 8.1351 8.1553 8.1553 9.0336 9.0336 9.0589 9.0589 9.2087 9.2087 9.8888 9.8888 9.9999 9.9999 10.0535 10.0535 12.3923 12.3923 12.5049 12.5049 12.6082 12.6082 14.5544 14.5544 k =-0.0179 0.0178 0.0000 ( 2771 PWs) bands (ev): -46.0884 -46.0884 -22.7854 -22.7854 -22.1403 -22.1403 -22.1160 -22.1160 -14.4211 -14.4211 -6.5293 -6.5293 -5.8867 -5.8867 -5.8411 -5.8411 -0.9587 -0.9587 0.9523 0.9523 0.9614 0.9614 7.9234 7.9234 8.1302 8.1302 8.1528 8.1528 9.0240 9.0240 9.0535 9.0535 9.2088 9.2088 9.8828 9.8828 9.9940 9.9940 10.0493 10.0493 12.3981 12.3981 12.5088 12.5088 12.6143 12.6143 14.5582 14.5582 k =-0.0268 0.0267 0.0000 ( 2771 PWs) bands (ev): -46.0884 -46.0884 -22.7855 -22.7855 -22.1405 -22.1405 -22.1160 -22.1160 -14.4202 -14.4202 -6.5294 -6.5294 -5.8866 -5.8866 -5.8409 -5.8409 -0.9570 -0.9570 0.9540 0.9540 0.9636 0.9636 7.9180 7.9180 8.1218 8.1218 8.1490 8.1490 9.0080 9.0080 9.0448 9.0448 9.2088 9.2088 9.8727 9.8727 9.9844 9.9844 10.0426 10.0426 12.4076 12.4076 12.5153 12.5153 12.6245 12.6245 14.5644 14.5644 k =-0.0357 0.0356 0.0000 ( 2765 PWs) bands (ev): -46.0884 -46.0884 -22.7856 -22.7856 -22.1407 -22.1407 -22.1161 -22.1161 -14.4190 -14.4190 -6.5294 -6.5294 -5.8864 -5.8864 -5.8407 -5.8407 -0.9546 -0.9546 0.9558 0.9558 0.9673 0.9673 7.9103 7.9103 8.1100 8.1100 8.1441 8.1441 8.9860 8.9860 9.0327 9.0327 9.2090 9.2090 9.8581 9.8581 9.9715 9.9715 10.0336 10.0336 12.4209 12.4209 12.5243 12.5243 12.6386 12.6386 14.5731 14.5731 k =-0.0446 0.0445 0.0000 ( 2769 PWs) bands (ev): -46.0884 -46.0884 -22.7859 -22.7859 -22.1411 -22.1411 -22.1162 -22.1162 -14.4174 -14.4174 -6.5294 -6.5294 -5.8861 -5.8861 -5.8403 -5.8403 -0.9515 -0.9515 0.9575 0.9575 0.9726 0.9726 7.8999 7.8999 8.0950 8.0950 8.1381 8.1381 8.9584 8.9584 9.0175 9.0175 9.2092 9.2092 9.8385 9.8385 9.9558 9.9558 10.0224 10.0224 12.4378 12.4378 12.5357 12.5357 12.6564 12.6564 14.5840 14.5840 k =-0.0536 0.0534 0.0000 ( 2769 PWs) bands (ev): -46.0884 -46.0884 -22.7861 -22.7861 -22.1415 -22.1415 -22.1163 -22.1163 -14.4155 -14.4155 -6.5295 -6.5295 -5.8858 -5.8858 -5.8399 -5.8399 -0.9479 -0.9479 0.9592 0.9592 0.9793 0.9793 7.8865 7.8865 8.0773 8.0773 8.1311 8.1311 8.9255 8.9255 8.9992 8.9992 9.2097 9.2097 9.8136 9.8136 9.9382 9.9382 10.0094 10.0094 12.4581 12.4581 12.5496 12.5496 12.6778 12.6778 14.5971 14.5971 k =-0.0625 0.0623 0.0000 ( 2773 PWs) bands (ev): -46.0884 -46.0884 -22.7864 -22.7864 -22.1420 -22.1420 -22.1164 -22.1164 -14.4133 -14.4133 -6.5295 -6.5295 -5.8854 -5.8854 -5.8392 -5.8392 -0.9437 -0.9437 0.9610 0.9610 0.9873 0.9873 7.8698 7.8698 8.0573 8.0573 8.1231 8.1231 8.8879 8.8879 8.9781 8.9781 9.2103 9.2103 9.7832 9.7832 9.9190 9.9190 9.9947 9.9947 12.4816 12.4816 12.5659 12.5659 12.7025 12.7025 14.6122 14.6122 k =-0.0714 0.0712 0.0000 ( 2777 PWs) bands (ev): -46.0883 -46.0883 -22.7868 -22.7868 -22.1426 -22.1426 -22.1166 -22.1166 -14.4107 -14.4107 -6.5295 -6.5295 -5.8849 -5.8849 -5.8384 -5.8384 -0.9391 -0.9391 0.9629 0.9629 0.9964 0.9964 7.8492 7.8492 8.0357 8.0357 8.1141 8.1141 8.8461 8.8461 8.9543 8.9543 9.2112 9.2112 9.7473 9.7473 9.8988 9.8988 9.9786 9.9786 12.5082 12.5082 12.5845 12.5845 12.7301 12.7301 14.6292 14.6292 k =-0.0804 0.0801 0.0000 ( 2781 PWs) bands (ev): -46.0883 -46.0883 -22.7872 -22.7872 -22.1433 -22.1433 -22.1168 -22.1168 -14.4079 -14.4079 -6.5296 -6.5296 -5.8844 -5.8844 -5.8374 -5.8374 -0.9339 -0.9339 0.9649 0.9649 1.0065 1.0065 7.8245 7.8245 8.0130 8.0130 8.1041 8.1041 8.8006 8.8006 8.9280 8.9280 9.2124 9.2124 9.7063 9.7063 9.8778 9.8778 9.9614 9.9614 12.5375 12.5375 12.6054 12.6054 12.7606 12.7606 14.6478 14.6478 k =-0.0893 0.0890 0.0000 ( 2777 PWs) bands (ev): -46.0883 -46.0883 -22.7876 -22.7876 -22.1440 -22.1440 -22.1170 -22.1170 -14.4047 -14.4047 -6.5296 -6.5296 -5.8838 -5.8838 -5.8362 -5.8362 -0.9284 -0.9284 0.9671 0.9671 1.0174 1.0174 7.7953 7.7953 7.9895 7.9895 8.0933 8.0933 8.7519 8.7519 8.8994 8.8994 9.2140 9.2140 9.6607 9.6607 9.8560 9.8560 9.9433 9.9433 12.5694 12.5694 12.6284 12.6284 12.7935 12.7935 14.6679 14.6679 k =-0.0982 0.0979 0.0000 ( 2771 PWs) bands (ev): -46.0883 -46.0883 -22.7880 -22.7880 -22.1448 -22.1448 -22.1171 -22.1171 -14.4013 -14.4013 -6.5295 -6.5295 -5.8831 -5.8831 -5.8346 -5.8346 -0.9226 -0.9226 0.9694 0.9694 1.0291 1.0291 7.7618 7.7618 7.9654 7.9654 8.0817 8.0817 8.7003 8.7003 8.8688 8.8688 9.2160 9.2160 9.6113 9.6113 9.8336 9.8336 9.9245 9.9245 12.6036 12.6036 12.6535 12.6535 12.8287 12.8287 14.6893 14.6893 k =-0.1071 0.1068 0.0000 ( 2763 PWs) bands (ev): -46.0882 -46.0882 -22.7885 -22.7885 -22.1456 -22.1456 -22.1173 -22.1173 -14.3976 -14.3976 -6.5294 -6.5294 -5.8824 -5.8824 -5.8328 -5.8328 -0.9164 -0.9164 0.9720 0.9720 1.0413 1.0413 7.7241 7.7241 7.9406 7.9406 8.0694 8.0694 8.6463 8.6463 8.8363 8.8363 9.2185 9.2185 9.5587 9.5587 9.8104 9.8104 9.9052 9.9052 12.6398 12.6398 12.6807 12.6807 12.8658 12.8658 14.7118 14.7118 k =-0.1161 0.1157 0.0000 ( 2759 PWs) bands (ev): -46.0882 -46.0882 -22.7890 -22.7890 -22.1465 -22.1465 -22.1175 -22.1175 -14.3937 -14.3937 -6.5293 -6.5293 -5.8817 -5.8817 -5.8307 -5.8307 -0.9101 -0.9101 0.9747 0.9747 1.0540 1.0540 7.6827 7.6827 7.9150 7.9150 8.0566 8.0566 8.5902 8.5902 8.8022 8.8022 9.2215 9.2215 9.5037 9.5037 9.7866 9.7866 9.8859 9.8859 12.6776 12.6776 12.7100 12.7100 12.9046 12.9046 14.7352 14.7352 k =-0.1250 0.1246 0.0000 ( 2755 PWs) bands (ev): -46.0882 -46.0882 -22.7896 -22.7896 -22.1475 -22.1475 -22.1178 -22.1178 -14.3895 -14.3895 -6.5290 -6.5290 -5.8809 -5.8809 -5.8283 -5.8283 -0.9037 -0.9037 0.9775 0.9775 1.0670 1.0670 7.6380 7.6380 7.8883 7.8883 8.0434 8.0434 8.5321 8.5321 8.7666 8.7666 9.2251 9.2251 9.4470 9.4470 9.7619 9.7619 9.8669 9.8669 12.7167 12.7167 12.7415 12.7415 12.9450 12.9450 14.7594 14.7594 k =-0.1339 0.1335 0.0000 ( 2757 PWs) bands (ev): -46.0881 -46.0881 -22.7902 -22.7902 -22.1485 -22.1485 -22.1180 -22.1180 -14.3851 -14.3851 -6.5285 -6.5285 -5.8800 -5.8800 -5.8256 -5.8256 -0.8971 -0.8971 0.9805 0.9805 1.0800 1.0800 7.5906 7.5906 7.8603 7.8603 8.0298 8.0298 8.4724 8.4724 8.7298 8.7298 9.2292 9.2292 9.3895 9.3895 9.7364 9.7364 9.8485 9.8485 12.7561 12.7561 12.7756 12.7756 12.9866 12.9866 14.7842 14.7842 k =-0.1429 0.1424 0.0000 ( 2759 PWs) bands (ev): -46.0881 -46.0881 -22.7908 -22.7908 -22.1496 -22.1496 -22.1183 -22.1183 -14.3805 -14.3805 -6.5279 -6.5279 -5.8791 -5.8791 -5.8225 -5.8225 -0.8906 -0.8906 0.9836 0.9836 1.0930 1.0930 7.5411 7.5411 7.8307 7.8307 8.0160 8.0160 8.4110 8.4110 8.6919 8.6919 9.2339 9.2339 9.3318 9.3318 9.7100 9.7100 9.8310 9.8310 12.7950 12.7950 12.8130 12.8130 13.0294 13.0294 14.8094 14.8094 k =-0.1518 0.1513 0.0000 ( 2759 PWs) bands (ev): -46.0880 -46.0880 -22.7915 -22.7915 -22.1507 -22.1507 -22.1186 -22.1186 -14.3758 -14.3758 -6.5271 -6.5271 -5.8781 -5.8781 -5.8191 -5.8191 -0.8841 -0.8841 0.9868 0.9868 1.1058 1.1058 7.4898 7.4898 7.7994 7.7994 8.0020 8.0020 8.3482 8.3482 8.6533 8.6533 9.2389 9.2389 9.2750 9.2750 9.6826 9.6826 9.8149 9.8149 12.8330 12.8330 12.8538 12.8538 13.0731 13.0731 14.8349 14.8349 k =-0.1607 0.1602 0.0000 ( 2759 PWs) bands (ev): -46.0880 -46.0880 -22.7922 -22.7922 -22.1519 -22.1519 -22.1189 -22.1189 -14.3709 -14.3709 -6.5260 -6.5260 -5.8770 -5.8770 -5.8155 -5.8155 -0.8777 -0.8777 0.9901 0.9901 1.1183 1.1183 7.4374 7.4374 7.7664 7.7664 7.9877 7.9877 8.2841 8.2841 8.6139 8.6139 9.2180 9.2180 9.2462 9.2462 9.6541 9.6541 9.8004 9.8004 12.8707 12.8707 12.8968 12.8968 13.1176 13.1176 14.8605 14.8605 k =-0.1696 0.1691 0.0000 ( 2753 PWs) bands (ev): -46.0879 -46.0879 -22.7929 -22.7929 -22.1531 -22.1531 -22.1192 -22.1192 -14.3658 -14.3658 -6.5246 -6.5246 -5.8760 -5.8760 -5.8115 -5.8115 -0.8714 -0.8714 0.9935 0.9935 1.1302 1.1302 7.3842 7.3842 7.7316 7.7316 7.9732 7.9732 8.2187 8.2187 8.5741 8.5741 9.1646 9.1646 9.2522 9.2522 9.6246 9.6246 9.7879 9.7879 12.9089 12.9089 12.9412 12.9412 13.1628 13.1628 14.8862 14.8862 k =-0.1786 0.1780 0.0000 ( 2744 PWs) bands (ev): -46.0879 -46.0879 -22.7936 -22.7936 -22.1542 -22.1542 -22.1195 -22.1195 -14.3606 -14.3606 -6.5229 -6.5229 -5.8748 -5.8748 -5.8073 -5.8073 -0.8653 -0.8653 0.9969 0.9969 1.1415 1.1415 7.3306 7.3306 7.6952 7.6952 7.9583 7.9583 8.1523 8.1523 8.5339 8.5339 9.1135 9.1135 9.2591 9.2591 9.5941 9.5941 9.7774 9.7774 12.9478 12.9478 12.9863 12.9863 13.2085 13.2085 14.9117 14.9117 k =-0.1875 0.1869 0.0000 ( 2740 PWs) bands (ev): -46.0878 -46.0878 -22.7943 -22.7943 -22.1555 -22.1555 -22.1198 -22.1198 -14.3554 -14.3554 -6.5208 -6.5208 -5.8736 -5.8736 -5.8029 -5.8029 -0.8595 -0.8595 1.0003 1.0003 1.1521 1.1521 7.2768 7.2768 7.6571 7.6571 7.9423 7.9423 8.0856 8.0856 8.4935 8.4935 9.0656 9.0656 9.2665 9.2665 9.5625 9.5625 9.7691 9.7691 12.9875 12.9875 13.0318 13.0318 13.2547 13.2547 14.9370 14.9370 k =-0.1964 0.1958 0.0000 ( 2732 PWs) bands (ev): -46.0878 -46.0878 -22.7951 -22.7951 -22.1568 -22.1568 -22.1200 -22.1200 -14.3500 -14.3500 -6.5182 -6.5182 -5.8724 -5.8724 -5.7983 -5.7983 -0.8539 -0.8539 1.0037 1.0037 1.1617 1.1617 7.2233 7.2233 7.6175 7.6175 7.9235 7.9235 8.0203 8.0203 8.4531 8.4531 9.0214 9.0214 9.2743 9.2743 9.5302 9.5302 9.7631 9.7631 13.0278 13.0278 13.0776 13.0776 13.3012 13.3012 14.9620 14.9620 k =-0.2054 0.2047 0.0000 ( 2732 PWs) bands (ev): -46.0877 -46.0877 -22.7959 -22.7959 -22.1581 -22.1581 -22.1204 -22.1204 -14.3446 -14.3446 -6.5151 -6.5151 -5.8712 -5.8712 -5.7935 -5.7935 -0.8487 -0.8487 1.0070 1.0070 1.1704 1.1704 7.1702 7.1702 7.5767 7.5767 7.8952 7.8952 7.9633 7.9633 8.4128 8.4128 8.9814 8.9814 9.2824 9.2824 9.4971 9.4971 9.7595 9.7595 13.0688 13.0688 13.1233 13.1233 13.3480 13.3480 14.9866 14.9866 k =-0.2143 0.2136 0.0000 ( 2742 PWs) bands (ev): -46.0877 -46.0877 -22.7967 -22.7967 -22.1595 -22.1595 -22.1208 -22.1208 -14.3392 -14.3392 -6.5115 -6.5115 -5.8699 -5.8699 -5.7887 -5.7887 -0.8438 -0.8438 1.0102 1.0102 1.1781 1.1781 7.1177 7.1177 7.5347 7.5347 7.8448 7.8448 7.9273 7.9273 8.3727 8.3727 8.9460 8.9460 9.2906 9.2906 9.4634 9.4634 9.7582 9.7582 13.1102 13.1102 13.1688 13.1688 13.3949 13.3949 15.0106 15.0106 k =-0.2232 0.2225 0.0000 ( 2742 PWs) bands (ev): -46.0876 -46.0876 -22.7975 -22.7975 -22.1609 -22.1609 -22.1211 -22.1211 -14.3337 -14.3337 -6.5073 -6.5073 -5.8686 -5.8686 -5.7839 -5.7839 -0.8393 -0.8393 1.0133 1.0133 1.1848 1.1848 7.0661 7.0661 7.4918 7.4918 7.7787 7.7787 7.9061 7.9061 8.3329 8.3329 8.9155 8.9155 9.2988 9.2988 9.4295 9.4295 9.7591 9.7591 13.1520 13.1520 13.2140 13.2140 13.4418 13.4418 15.0341 15.0341 k =-0.2321 0.2314 0.0000 ( 2742 PWs) bands (ev): -46.0876 -46.0876 -22.7983 -22.7983 -22.1622 -22.1622 -22.1214 -22.1214 -14.3283 -14.3283 -6.5024 -6.5024 -5.8672 -5.8672 -5.7791 -5.7791 -0.8352 -0.8352 1.0161 1.0161 1.1904 1.1904 7.0153 7.0153 7.4481 7.4481 7.7072 7.7072 7.8897 7.8897 8.2935 8.2935 8.8901 8.8901 9.3065 9.3065 9.3957 9.3957 9.7624 9.7624 13.1941 13.1941 13.2588 13.2588 13.4888 13.4888 15.0569 15.0569 k =-0.2411 0.2403 0.0000 ( 2746 PWs) bands (ev): -46.0875 -46.0875 -22.7992 -22.7992 -22.1636 -22.1636 -22.1218 -22.1218 -14.3229 -14.3229 -6.4969 -6.4969 -5.8658 -5.8658 -5.7745 -5.7745 -0.8316 -0.8316 1.0187 1.0187 1.1949 1.1949 6.9656 6.9656 7.4039 7.4039 7.6337 7.6337 7.8748 7.8748 8.2547 8.2547 8.8699 8.8699 9.3122 9.3122 9.3638 9.3638 9.7678 9.7678 13.2363 13.2363 13.3029 13.3029 13.5356 13.5356 15.0790 15.0790 k =-0.2500 0.2492 0.0000 ( 2746 PWs) bands (ev): -46.0875 -46.0875 -22.8000 -22.8000 -22.1650 -22.1650 -22.1221 -22.1221 -14.3175 -14.3175 -6.4907 -6.4907 -5.8644 -5.8644 -5.7700 -5.7700 -0.8283 -0.8283 1.0208 1.0208 1.1985 1.1985 6.9170 6.9170 7.3593 7.3593 7.5593 7.5593 7.8608 7.8608 8.2165 8.2165 8.8550 8.8550 9.3068 9.3068 9.3428 9.3428 9.7753 9.7753 13.2786 13.2786 13.3464 13.3464 13.5822 13.5822 15.1004 15.1004 k =-0.2589 0.2581 0.0000 ( 2742 PWs) bands (ev): -46.0874 -46.0874 -22.8008 -22.8008 -22.1664 -22.1664 -22.1224 -22.1224 -14.3121 -14.3121 -6.4837 -6.4837 -5.8630 -5.8630 -5.7657 -5.7657 -0.8255 -0.8255 1.0226 1.0226 1.2011 1.2011 6.8696 6.8696 7.3146 7.3146 7.4845 7.4845 7.8472 7.8472 8.1791 8.1791 8.8454 8.8454 9.2804 9.2804 9.3428 9.3428 9.7847 9.7847 13.3208 13.3208 13.3891 13.3891 13.6284 13.6284 15.1209 15.1209 k =-0.2679 0.2670 0.0000 ( 2732 PWs) bands (ev): -46.0874 -46.0874 -22.8016 -22.8016 -22.1677 -22.1677 -22.1227 -22.1227 -14.3069 -14.3069 -6.4759 -6.4759 -5.8616 -5.8616 -5.7617 -5.7617 -0.8232 -0.8232 1.0237 1.0237 1.2030 1.2030 6.8234 6.8234 7.2699 7.2699 7.4099 7.4099 7.8340 7.8340 8.1424 8.1424 8.8410 8.8410 9.2474 9.2474 9.3495 9.3495 9.7959 9.7959 13.3627 13.3627 13.4308 13.4308 13.6743 13.6743 15.1406 15.1406 k =-0.2768 0.2759 0.0000 ( 2736 PWs) bands (ev): -46.0873 -46.0873 -22.8025 -22.8025 -22.1690 -22.1690 -22.1231 -22.1231 -14.3017 -14.3017 -6.4674 -6.4674 -5.8602 -5.8602 -5.7582 -5.7582 -0.8213 -0.8213 1.0242 1.0242 1.2043 1.2043 6.7783 6.7783 7.2253 7.2253 7.3357 7.3357 7.8210 7.8210 8.1066 8.1066 8.8417 8.8417 9.2132 9.2132 9.3575 9.3575 9.8088 9.8088 13.4043 13.4043 13.4716 13.4716 13.7196 13.7196 15.1594 15.1594 k =-0.2857 0.2848 0.0000 ( 2740 PWs) bands (ev): -46.0873 -46.0873 -22.8033 -22.8033 -22.1704 -22.1704 -22.1234 -22.1234 -14.2966 -14.2966 -6.4581 -6.4581 -5.8588 -5.8588 -5.7550 -5.7550 -0.8198 -0.8198 1.0240 1.0240 1.2050 1.2050 6.7346 6.7346 7.1810 7.1810 7.2624 7.2624 7.8084 7.8084 8.0717 8.0717 8.8472 8.8472 9.1788 9.1788 9.3659 9.3659 9.8231 9.8231 13.4454 13.4454 13.5113 13.5113 13.7643 13.7643 15.1772 15.1772 k =-0.2946 0.2937 0.0000 ( 2742 PWs) bands (ev): -46.0872 -46.0872 -22.8041 -22.8041 -22.1718 -22.1718 -22.1237 -22.1237 -14.2917 -14.2917 -6.4480 -6.4480 -5.8574 -5.8574 -5.7524 -5.7524 -0.8188 -0.8188 1.0229 1.0229 1.2055 1.2055 6.6921 6.6921 7.1371 7.1371 7.1905 7.1905 7.7960 7.7960 8.0379 8.0379 8.8575 8.8575 9.1448 9.1448 9.3744 9.3744 9.8387 9.8387 13.4860 13.4860 13.5499 13.5499 13.8083 13.8083 15.1941 15.1941 k =-0.3036 0.3026 0.0000 ( 2738 PWs) bands (ev): -46.0872 -46.0872 -22.8049 -22.8049 -22.1730 -22.1730 -22.1240 -22.1240 -14.2869 -14.2869 -6.4372 -6.4372 -5.8560 -5.8560 -5.7504 -5.7504 -0.8182 -0.8182 1.0210 1.0210 1.2058 1.2058 6.6508 6.6508 7.0928 7.0928 7.1210 7.1210 7.7839 7.7839 8.0051 8.0051 8.8721 8.8721 9.1112 9.1112 9.3829 9.3829 9.8555 9.8555 13.5258 13.5258 13.5872 13.5872 13.8514 13.8514 15.2101 15.2101 k =-0.3125 0.3115 0.0000 ( 2744 PWs) bands (ev): -46.0871 -46.0871 -22.8057 -22.8057 -22.1744 -22.1744 -22.1243 -22.1243 -14.2822 -14.2822 -6.4255 -6.4255 -5.8546 -5.8546 -5.7489 -5.7489 -0.8181 -0.8181 1.0181 1.0181 1.2060 1.2060 6.6108 6.6108 7.0423 7.0423 7.0603 7.0603 7.7722 7.7722 7.9734 7.9734 8.8909 8.8909 9.0782 9.0782 9.3914 9.3914 9.8731 9.8731 13.5649 13.5649 13.6233 13.6233 13.8936 13.8936 15.2251 15.2251 k =-0.3214 0.3204 0.0000 ( 2744 PWs) bands (ev): -46.0871 -46.0871 -22.8064 -22.8064 -22.1756 -22.1756 -22.1246 -22.1246 -14.2777 -14.2777 -6.4131 -6.4131 -5.8532 -5.8532 -5.7482 -5.7482 -0.8183 -0.8183 1.0142 1.0142 1.2064 1.2064 6.5721 6.5721 6.9791 6.9791 7.0153 7.0153 7.7607 7.7607 7.9429 7.9429 8.9133 8.9133 9.0460 9.0460 9.3998 9.3998 9.8914 9.8914 13.6029 13.6029 13.6580 13.6580 13.9347 13.9347 15.2391 15.2391 k =-0.3304 0.3293 0.0000 ( 2740 PWs) bands (ev): -46.0870 -46.0870 -22.8071 -22.8071 -22.1768 -22.1768 -22.1249 -22.1249 -14.2734 -14.2734 -6.4000 -6.4000 -5.8519 -5.8519 -5.7481 -5.7481 -0.8189 -0.8189 1.0094 1.0094 1.2070 1.2070 6.5346 6.5346 6.9148 6.9148 6.9747 6.9747 7.7496 7.7496 7.9136 7.9136 8.9389 8.9389 9.0149 9.0149 9.4082 9.4082 9.9103 9.9103 13.6399 13.6399 13.6914 13.6914 13.9745 13.9745 15.2521 15.2521 k =-0.3393 0.3382 0.0000 ( 2738 PWs) bands (ev): -46.0870 -46.0870 -22.8078 -22.8078 -22.1779 -22.1779 -22.1251 -22.1251 -14.2692 -14.2692 -6.3862 -6.3862 -5.8506 -5.8506 -5.7488 -5.7488 -0.8198 -0.8198 1.0038 1.0038 1.2079 1.2079 6.4984 6.4984 6.8524 6.8524 6.9360 6.9360 7.7388 7.7388 7.8855 7.8855 8.9656 8.9656 8.9865 8.9865 9.4164 9.4164 9.9294 9.9294 13.6758 13.6758 13.7233 13.7233 14.0131 14.0131 15.2642 15.2642 k =-0.3482 0.3471 0.0000 ( 2738 PWs) bands (ev): -46.0869 -46.0869 -22.8085 -22.8085 -22.1791 -22.1791 -22.1254 -22.1254 -14.2653 -14.2653 -6.3717 -6.3717 -5.8493 -5.8493 -5.7503 -5.7503 -0.8210 -0.8210 0.9974 0.9974 1.2091 1.2091 6.4633 6.4633 6.7925 6.7925 6.8989 6.8989 7.7284 7.7284 7.8588 7.8588 8.9535 8.9535 9.0005 9.0005 9.4246 9.4246 9.9488 9.9488 13.7103 13.7103 13.7538 13.7538 14.0502 14.0502 15.2753 15.2753 k =-0.3571 0.3560 0.0000 ( 2744 PWs) bands (ev): -46.0869 -46.0869 -22.8092 -22.8092 -22.1802 -22.1802 -22.1257 -22.1257 -14.2615 -14.2615 -6.3567 -6.3567 -5.8481 -5.8481 -5.7526 -5.7526 -0.8225 -0.8225 0.9903 0.9903 1.2106 1.2106 6.4295 6.4295 6.7355 6.7355 6.8633 6.8633 7.7184 7.7184 7.8334 7.8334 8.9259 8.9259 9.0330 9.0330 9.4327 9.4327 9.9681 9.9681 13.7434 13.7434 13.7828 13.7828 14.0858 14.0858 15.2855 15.2855 k =-0.3661 0.3649 0.0000 ( 2744 PWs) bands (ev): -46.0868 -46.0868 -22.8098 -22.8098 -22.1812 -22.1812 -22.1259 -22.1259 -14.2579 -14.2579 -6.3412 -6.3412 -5.8470 -5.8470 -5.7556 -5.7556 -0.8242 -0.8242 0.9828 0.9828 1.2123 1.2123 6.3970 6.3970 6.6816 6.6816 6.8295 6.8295 7.7088 7.7088 7.8094 7.8094 8.8992 8.8992 9.0674 9.0674 9.4408 9.4408 9.9872 9.9872 13.7750 13.7750 13.8103 13.8103 14.1197 14.1197 15.2947 15.2947 k =-0.3750 0.3738 0.0000 ( 2738 PWs) bands (ev): -46.0868 -46.0868 -22.8104 -22.8104 -22.1821 -22.1821 -22.1261 -22.1261 -14.2546 -14.2546 -6.3253 -6.3253 -5.8459 -5.8459 -5.7595 -5.7595 -0.8261 -0.8261 0.9749 0.9749 1.2143 1.2143 6.3656 6.3656 6.6310 6.6310 6.7974 6.7974 7.6997 7.6997 7.7868 7.7868 8.8738 8.8738 9.1028 9.1028 9.4487 9.4487 10.0059 10.0059 13.8049 13.8049 13.8363 13.8363 14.1518 14.1518 15.3030 15.3030 k =-0.3839 0.3827 0.0000 ( 2736 PWs) bands (ev): -46.0868 -46.0868 -22.8110 -22.8110 -22.1830 -22.1830 -22.1263 -22.1263 -14.2514 -14.2514 -6.3090 -6.3090 -5.8449 -5.8449 -5.7641 -5.7641 -0.8281 -0.8281 0.9668 0.9668 1.2164 1.2164 6.3355 6.3355 6.5840 6.5840 6.7672 6.7672 7.6910 7.6910 7.7657 7.7657 8.8497 8.8497 9.1385 9.1385 9.4566 9.4566 10.0241 10.0241 13.8331 13.8331 13.8607 13.8607 14.1821 14.1821 15.3105 15.3105 k =-0.3929 0.3916 0.0000 ( 2738 PWs) bands (ev): -46.0867 -46.0867 -22.8115 -22.8115 -22.1839 -22.1839 -22.1265 -22.1265 -14.2485 -14.2485 -6.2926 -6.2926 -5.8440 -5.8440 -5.7694 -5.7694 -0.8302 -0.8302 0.9588 0.9588 1.2186 1.2186 6.3066 6.3066 6.5406 6.5406 6.7388 6.7388 7.6829 7.6829 7.7460 7.7460 8.8272 8.8272 9.1740 9.1740 9.4645 9.4645 10.0416 10.0416 13.8593 13.8593 13.8837 13.8837 14.2104 14.2104 15.3172 15.3172 k =-0.4018 0.4006 0.0000 ( 2738 PWs) bands (ev): -46.0867 -46.0867 -22.8120 -22.8120 -22.1847 -22.1847 -22.1267 -22.1267 -14.2458 -14.2458 -6.2761 -6.2761 -5.8431 -5.8431 -5.7754 -5.7754 -0.8323 -0.8323 0.9508 0.9508 1.2209 1.2209 6.2790 6.2790 6.5010 6.5010 6.7125 6.7125 7.6752 7.6752 7.7278 7.7278 8.8062 8.8062 9.2086 9.2086 9.4724 9.4724 10.0582 10.0582 13.8835 13.8835 13.9052 13.9052 14.2366 14.2366 15.3230 15.3230 k =-0.4107 0.4095 0.0000 ( 2744 PWs) bands (ev): -46.0867 -46.0867 -22.8125 -22.8125 -22.1855 -22.1855 -22.1269 -22.1269 -14.2433 -14.2433 -6.2597 -6.2597 -5.8424 -5.8424 -5.7819 -5.7819 -0.8345 -0.8345 0.9431 0.9431 1.2232 1.2232 6.2529 6.2529 6.4653 6.4653 6.6882 6.6882 7.6682 7.6682 7.7111 7.7111 8.7868 8.7868 9.2418 9.2418 9.4803 9.4803 10.0739 10.0739 13.9054 13.9054 13.9253 13.9253 14.2608 14.2608 15.3282 15.3282 k =-0.4196 0.4184 0.0000 ( 2744 PWs) bands (ev): -46.0866 -46.0866 -22.8129 -22.8129 -22.1862 -22.1862 -22.1270 -22.1270 -14.2410 -14.2410 -6.2435 -6.2435 -5.8418 -5.8418 -5.7888 -5.7888 -0.8366 -0.8366 0.9358 0.9358 1.2254 1.2254 6.2283 6.2283 6.4334 6.4334 6.6660 6.6660 7.6616 7.6616 7.6959 7.6959 8.7691 8.7691 9.2729 9.2729 9.4883 9.4883 10.0885 10.0885 13.9251 13.9251 13.9440 13.9440 14.2827 14.2827 15.3326 15.3326 k =-0.4286 0.4273 0.0000 ( 2746 PWs) bands (ev): -46.0866 -46.0866 -22.8133 -22.8133 -22.1868 -22.1868 -22.1272 -22.1272 -14.2390 -14.2390 -6.2278 -6.2278 -5.8413 -5.8413 -5.7960 -5.7960 -0.8386 -0.8386 0.9290 0.9290 1.2275 1.2275 6.2055 6.2055 6.4053 6.4053 6.6460 6.6460 7.6557 7.6557 7.6823 7.6823 8.7532 8.7532 9.3013 9.3013 9.4965 9.4965 10.1019 10.1019 13.9424 13.9424 13.9613 13.9613 14.3024 14.3024 15.3364 15.3364 k =-0.4375 0.4362 0.0000 ( 2742 PWs) bands (ev): -46.0866 -46.0866 -22.8136 -22.8136 -22.1873 -22.1873 -22.1273 -22.1273 -14.2372 -14.2372 -6.2129 -6.2129 -5.8411 -5.8411 -5.8032 -5.8032 -0.8405 -0.8405 0.9228 0.9228 1.2295 1.2295 6.1847 6.1847 6.3810 6.3810 6.6283 6.6283 7.6505 7.6505 7.6703 7.6703 8.7390 8.7390 9.3267 9.3267 9.5048 9.5048 10.1140 10.1140 13.9574 13.9574 13.9769 13.9769 14.3199 14.3199 15.3396 15.3396 k =-0.4464 0.4451 0.0000 ( 2736 PWs) bands (ev): -46.0866 -46.0866 -22.8139 -22.8139 -22.1878 -22.1878 -22.1274 -22.1274 -14.2357 -14.2357 -6.1988 -6.1988 -5.8412 -5.8412 -5.8101 -5.8101 -0.8422 -0.8422 0.9172 0.9172 1.2313 1.2313 6.1660 6.1660 6.3603 6.3603 6.6128 6.6128 7.6458 7.6458 7.6598 7.6598 8.7266 8.7266 9.3485 9.3485 9.5132 9.5132 10.1247 10.1247 13.9702 13.9702 13.9908 13.9908 14.3351 14.3351 15.3423 15.3423 k =-0.4554 0.4540 0.0000 ( 2736 PWs) bands (ev): -46.0866 -46.0866 -22.8141 -22.8141 -22.1882 -22.1882 -22.1274 -22.1274 -14.2343 -14.2343 -6.1861 -6.1861 -5.8416 -5.8416 -5.8163 -5.8163 -0.8437 -0.8437 0.9124 0.9124 1.2329 1.2329 6.1498 6.1498 6.3430 6.3430 6.5997 6.5997 7.6419 7.6419 7.6510 7.6510 8.7161 8.7161 9.3667 9.3667 9.5214 9.5214 10.1338 10.1338 13.9810 13.9810 14.0027 14.0027 14.3479 14.3479 15.3445 15.3445 k =-0.4643 0.4629 0.0000 ( 2732 PWs) bands (ev): -46.0865 -46.0865 -22.8143 -22.8143 -22.1885 -22.1885 -22.1275 -22.1275 -14.2333 -14.2333 -6.1750 -6.1750 -5.8426 -5.8426 -5.8214 -5.8214 -0.8450 -0.8450 0.9084 0.9084 1.2342 1.2342 6.1363 6.1363 6.3290 6.3290 6.5889 6.5889 7.6386 7.6386 7.6438 7.6438 8.7075 8.7075 9.3811 9.3811 9.5291 9.5291 10.1414 10.1414 13.9897 13.9897 14.0127 14.0127 14.3584 14.3584 15.3462 15.3462 k =-0.4732 0.4718 0.0000 ( 2726 PWs) bands (ev): -46.0865 -46.0865 -22.8144 -22.8144 -22.1887 -22.1887 -22.1276 -22.1276 -14.2324 -14.2324 -6.1658 -6.1658 -5.8441 -5.8441 -5.8251 -5.8251 -0.8460 -0.8460 0.9052 0.9052 1.2352 1.2352 6.1255 6.1255 6.3183 6.3183 6.5804 6.5804 7.6358 7.6358 7.6383 7.6383 8.7008 8.7008 9.3919 9.3919 9.5358 9.5358 10.1474 10.1474 13.9964 13.9964 14.0205 14.0205 14.3666 14.3666 15.3475 15.3475 k =-0.4821 0.4807 0.0000 ( 2730 PWs) bands (ev): -46.0865 -46.0865 -22.8146 -22.8146 -22.1889 -22.1889 -22.1276 -22.1276 -14.2318 -14.2318 -6.1589 -6.1589 -5.8459 -5.8459 -5.8274 -5.8274 -0.8468 -0.8468 0.9029 0.9029 1.2360 1.2360 6.1177 6.1177 6.3107 6.3107 6.5744 6.5744 7.6333 7.6333 7.6349 7.6349 8.6960 8.6960 9.3994 9.3994 9.5410 9.5410 10.1517 10.1517 14.0012 14.0012 14.0261 14.0261 14.3724 14.3724 15.3484 15.3484 k =-0.4911 0.4896 0.0000 ( 2724 PWs) bands (ev): -46.0865 -46.0865 -22.8146 -22.8146 -22.1890 -22.1890 -22.1276 -22.1276 -14.2315 -14.2315 -6.1547 -6.1547 -5.8473 -5.8473 -5.8285 -5.8285 -0.8472 -0.8472 0.9016 0.9016 1.2365 1.2365 6.1130 6.1130 6.3062 6.3062 6.5708 6.5708 7.6312 7.6312 7.6335 7.6335 8.6931 8.6931 9.4038 9.4038 9.5444 9.5444 10.1543 10.1543 14.0041 14.0041 14.0295 14.0295 14.3759 14.3759 15.3489 15.3489 k =-0.5000 0.4985 0.0000 ( 2728 PWs) bands (ev): -46.0865 -46.0865 -22.8147 -22.8147 -22.1891 -22.1891 -22.1276 -22.1276 -14.2313 -14.2313 -6.1532 -6.1532 -5.8478 -5.8478 -5.8289 -5.8289 -0.8474 -0.8474 0.9011 0.9011 1.2366 1.2366 6.1114 6.1114 6.3047 6.3047 6.5695 6.5695 7.6304 7.6304 7.6331 7.6331 8.6921 8.6921 9.4052 9.4052 9.5455 9.5455 10.1551 10.1551 14.0050 14.0050 14.0307 14.0307 14.3771 14.3771 15.3491 15.3491 k =-0.5000 0.4985 0.0000 ( 2728 PWs) bands (ev): -46.0865 -46.0865 -22.8147 -22.8147 -22.1891 -22.1891 -22.1276 -22.1276 -14.2313 -14.2313 -6.1532 -6.1532 -5.8478 -5.8478 -5.8289 -5.8289 -0.8474 -0.8474 0.9011 0.9011 1.2366 1.2366 6.1114 6.1114 6.3047 6.3047 6.5695 6.5695 7.6304 7.6304 7.6331 7.6331 8.6921 8.6921 9.4052 9.4052 9.5455 9.5455 10.1551 10.1551 14.0050 14.0050 14.0307 14.0307 14.3771 14.3771 15.3491 15.3491 k =-0.4985 0.5000-0.0000 ( 2728 PWs) bands (ev): -46.0865 -46.0865 -22.8147 -22.8146 -22.1891 -22.1890 -22.1276 -22.1276 -14.2313 -14.2313 -6.1534 -6.1532 -5.8483 -5.8473 -5.8293 -5.8285 -0.8474 -0.8473 0.9011 0.9011 1.2366 1.2366 6.1114 6.1115 6.3047 6.3048 6.5696 6.5696 7.6300 7.6307 7.6329 7.6336 8.6921 8.6921 9.4047 9.4057 9.5448 9.5461 10.1550 10.1552 14.0050 14.0050 14.0306 14.0307 14.3770 14.3771 15.3491 15.3491 k =-0.4985 0.5000-0.0000 ( 2728 PWs) bands (ev): -46.0865 -46.0865 -22.8147 -22.8146 -22.1891 -22.1890 -22.1276 -22.1276 -14.2313 -14.2313 -6.1534 -6.1532 -5.8483 -5.8473 -5.8293 -5.8285 -0.8474 -0.8473 0.9011 0.9011 1.2366 1.2366 6.1114 6.1115 6.3047 6.3048 6.5696 6.5696 7.6300 7.6307 7.6329 7.6336 8.6921 8.6921 9.4047 9.4057 9.5448 9.5461 10.1550 10.1552 14.0050 14.0050 14.0306 14.0307 14.3770 14.3771 15.3491 15.3491 k =-0.4985 0.5000 0.0126 ( 2730 PWs) bands (ev): -46.0865 -46.0865 -22.8147 -22.8146 -22.1891 -22.1890 -22.1277 -22.1276 -14.2312 -14.2312 -6.1526 -6.1523 -5.8481 -5.8470 -5.8291 -5.8282 -0.8508 -0.8461 0.8998 0.8999 1.2314 1.2376 6.1112 6.1118 6.3073 6.3081 6.5696 6.5696 7.6303 7.6315 7.6337 7.6347 8.6874 8.6878 9.4058 9.4070 9.5455 9.5468 10.1551 10.1553 14.0054 14.0062 14.0307 14.0312 14.3774 14.3775 15.3539 15.3551 k =-0.4985 0.5000 0.0252 ( 2732 PWs) bands (ev): -46.0865 -46.0865 -22.8148 -22.8147 -22.1891 -22.1890 -22.1280 -22.1278 -14.2309 -14.2309 -6.1502 -6.1498 -5.8474 -5.8460 -5.8284 -5.8275 -0.8564 -0.8469 0.8961 0.8963 1.2220 1.2344 6.1110 6.1122 6.3156 6.3172 6.5696 6.5696 7.6310 7.6337 7.6367 7.6379 8.6737 8.6744 9.4091 9.4107 9.5475 9.5489 10.1554 10.1556 14.0073 14.0090 14.0315 14.0323 14.3785 14.3788 15.3694 15.3716 k =-0.4985 0.5000 0.0378 ( 2736 PWs) bands (ev): -46.0865 -46.0865 -22.8150 -22.8147 -22.1890 -22.1890 -22.1284 -22.1281 -14.2304 -14.2304 -6.1462 -6.1457 -5.8461 -5.8445 -5.8272 -5.8264 -0.8641 -0.8499 0.8900 0.8902 1.2085 1.2269 6.1108 6.1126 6.3297 6.3321 6.5696 6.5696 7.6323 7.6368 7.6421 7.6433 8.6512 8.6523 9.4148 9.4168 9.5508 9.5524 10.1559 10.1561 14.0105 14.0134 14.0333 14.0341 14.3804 14.3808 15.3952 15.3984 k =-0.4985 0.5000 0.0504 ( 2736 PWs) bands (ev): -46.0865 -46.0865 -22.8151 -22.8148 -22.1890 -22.1890 -22.1288 -22.1285 -14.2297 -14.2296 -6.1406 -6.1400 -5.8444 -5.8424 -5.8256 -5.8248 -0.8738 -0.8551 0.8815 0.8818 1.1911 1.2154 6.1108 6.1129 6.3495 6.3525 6.5696 6.5697 7.6342 7.6406 7.6495 7.6508 8.6205 8.6219 9.4226 9.4252 9.5556 9.5573 10.1566 10.1567 14.0149 14.0192 14.0366 14.0370 14.3830 14.3836 15.4308 15.4350 k =-0.4985 0.5000 0.0630 ( 2736 PWs) bands (ev): -46.0865 -46.0865 -22.8153 -22.8150 -22.1890 -22.1890 -22.1294 -22.1290 -14.2287 -14.2287 -6.1335 -6.1327 -5.8422 -5.8397 -5.8236 -5.8227 -0.8854 -0.8623 0.8706 0.8710 1.1700 1.2000 6.1108 6.1131 6.3746 6.3783 6.5697 6.5697 7.6367 7.6450 7.6588 7.6603 8.5822 8.5837 9.4326 9.4357 9.5617 9.5635 10.1574 10.1576 14.0202 14.0262 14.0411 14.0418 14.3864 14.3871 15.4757 15.4807 k =-0.4985 0.5000 0.0756 ( 2736 PWs) bands (ev): -46.0865 -46.0865 -22.8156 -22.8151 -22.1889 -22.1889 -22.1301 -22.1296 -14.2276 -14.2276 -6.1248 -6.1238 -5.8394 -5.8366 -5.8211 -5.8202 -0.8990 -0.8715 0.8576 0.8581 1.1455 1.1808 6.1108 6.1133 6.4050 6.4092 6.5697 6.5698 7.6397 7.6500 7.6699 7.6716 8.5368 8.5384 9.4447 9.4483 9.5691 9.5711 10.1585 10.1586 14.0261 14.0339 14.0474 14.0491 14.3906 14.3913 15.5291 15.5348 k =-0.4985 0.5000 0.0883 ( 2740 PWs) bands (ev): -46.0864 -46.0864 -22.8159 -22.8153 -22.1889 -22.1889 -22.1309 -22.1303 -14.2262 -14.2262 -6.1147 -6.1135 -5.8361 -5.8329 -5.8182 -5.8173 -0.9144 -0.8827 0.8424 0.8430 1.1177 1.1581 6.1108 6.1134 6.4402 6.4447 6.5698 6.5700 7.6430 7.6553 7.6825 7.6844 8.4852 8.4868 9.4588 9.4630 9.5780 9.5800 10.1597 10.1599 14.0327 14.0417 14.0565 14.0587 14.3954 14.3963 15.5902 15.5963 k =-0.4985 0.5000 0.1009 ( 2744 PWs) bands (ev): -46.0864 -46.0864 -22.8162 -22.8156 -22.1888 -22.1888 -22.1318 -22.1311 -14.2247 -14.2247 -6.1031 -6.1018 -5.8324 -5.8287 -5.8150 -5.8140 -0.9314 -0.8958 0.8253 0.8260 1.0871 1.1321 6.1108 6.1133 6.4801 6.4844 6.5699 6.5704 7.6465 7.6608 7.6962 7.6985 8.4282 8.4297 9.4749 9.4797 9.5883 9.5904 10.1611 10.1612 14.0403 14.0499 14.0681 14.0705 14.4009 14.4018 15.6580 15.6645 k =-0.4985 0.5000 0.1135 ( 2756 PWs) bands (ev): -46.0864 -46.0864 -22.8165 -22.8159 -22.1888 -22.1888 -22.1329 -22.1321 -14.2230 -14.2230 -6.0901 -6.0887 -5.8281 -5.8241 -5.8113 -5.8103 -0.9500 -0.9107 0.8062 0.8071 1.0539 1.1032 6.1107 6.1132 6.5240 6.5273 6.5701 6.5716 7.6499 7.6663 7.7108 7.7136 8.3668 8.3681 9.4931 9.4983 9.6001 9.6021 10.1626 10.1628 14.0492 14.0588 14.0820 14.0842 14.4070 14.4081 15.7316 15.7384 k =-0.4985 0.5000 0.1261 ( 2755 PWs) bands (ev): -46.0864 -46.0864 -22.8169 -22.8162 -22.1887 -22.1887 -22.1339 -22.1331 -14.2212 -14.2212 -6.0759 -6.0742 -5.8235 -5.8190 -5.8072 -5.8062 -0.9701 -0.9273 0.7854 0.7865 1.0185 1.0717 6.1105 6.1129 6.5628 6.5673 6.5749 6.5835 7.6529 7.6714 7.7259 7.7293 8.3022 8.3031 9.5131 9.5188 9.6133 9.6154 10.1643 10.1645 14.0595 14.0691 14.0976 14.0996 14.4138 14.4149 15.8102 15.8172 k =-0.4985 0.5000 0.1387 ( 2752 PWs) bands (ev): -46.0863 -46.0863 -22.8172 -22.8165 -22.1886 -22.1886 -22.1351 -22.1342 -14.2191 -14.2191 -6.0604 -6.0586 -5.8184 -5.8135 -5.8028 -5.8017 -0.9914 -0.9455 0.7631 0.7643 0.9812 1.0378 6.1101 6.1126 6.5680 6.5698 6.6237 6.6290 7.6550 7.6756 7.7409 7.7450 8.2357 8.2361 9.5351 9.5412 9.6282 9.6302 10.1662 10.1664 14.0713 14.0807 14.1148 14.1166 14.4211 14.4222 15.8927 15.8998 k =-0.4985 0.5000 0.1513 ( 2742 PWs) bands (ev): -46.0863 -46.0863 -22.8176 -22.8168 -22.1885 -22.1885 -22.1363 -22.1353 -14.2170 -14.2170 -6.0438 -6.0418 -5.8129 -5.8077 -5.7980 -5.7969 -1.0140 -0.9651 0.7393 0.7407 0.9423 1.0018 6.1097 6.1120 6.5689 6.5700 6.6776 6.6813 7.6555 7.6779 7.7551 7.7601 8.1686 8.1698 9.5590 9.5654 9.6446 9.6465 10.1682 10.1684 14.0848 14.0939 14.1334 14.1350 14.4289 14.4301 15.9783 15.9855 k =-0.4985 0.5000 0.1639 ( 2744 PWs) bands (ev): -46.0863 -46.0863 -22.8180 -22.8172 -22.1885 -22.1884 -22.1376 -22.1365 -14.2147 -14.2147 -6.0261 -6.0239 -5.8071 -5.8014 -5.7930 -5.7918 -1.0375 -0.9860 0.7142 0.7158 0.9022 0.9642 6.1091 6.1113 6.5694 6.5703 6.7341 6.7362 7.6529 7.6767 7.7677 7.7736 8.1037 8.1066 9.5847 9.5913 9.6627 9.6646 10.1704 10.1705 14.0998 14.1087 14.1533 14.1547 14.4372 14.4384 16.0661 16.0733 k =-0.4985 0.5000 0.1765 ( 2746 PWs) bands (ev): -46.0862 -46.0862 -22.8185 -22.8176 -22.1884 -22.1883 -22.1389 -22.1378 -14.2123 -14.2123 -6.0075 -6.0051 -5.8009 -5.7949 -5.7876 -5.7865 -1.0619 -1.0081 0.6880 0.6899 0.8612 0.9252 6.1082 6.1103 6.5697 6.5705 6.7926 6.7928 7.6454 7.6692 7.7778 7.7843 8.0450 8.0506 9.6122 9.6190 9.6825 9.6842 10.1726 10.1727 14.1163 14.1249 14.1743 14.1756 14.4459 14.4471 16.1551 16.1623 k =-0.4985 0.5000 0.1891 ( 2742 PWs) bands (ev): -46.0862 -46.0862 -22.8189 -22.8180 -22.1883 -22.1882 -22.1403 -22.1392 -14.2098 -14.2098 -5.9880 -5.9854 -5.7945 -5.7880 -5.7820 -5.7808 -1.0870 -1.0312 0.6610 0.6631 0.8196 0.8851 6.1071 6.1091 6.5700 6.5707 6.8505 6.8525 7.6294 7.6511 7.7847 7.7905 7.9980 8.0068 9.6413 9.6482 9.7039 9.7056 10.1750 10.1751 14.1343 14.1425 14.1964 14.1975 14.4550 14.4562 16.2443 16.2515 k =-0.4985 0.5000 0.2017 ( 2740 PWs) bands (ev): -46.0861 -46.0861 -22.8194 -22.8184 -22.1881 -22.1881 -22.1417 -22.1406 -14.2072 -14.2072 -5.9678 -5.9650 -5.7878 -5.7810 -5.7761 -5.7749 -1.1127 -1.0552 0.6331 0.6357 0.7776 0.8442 6.1057 6.1076 6.5703 6.5710 6.9088 6.9133 7.6010 7.6184 7.7880 7.7928 7.9678 7.9792 9.6720 9.6789 9.7270 9.7287 10.1774 10.1776 14.1536 14.1615 14.2194 14.2204 14.4643 14.4656 16.3328 16.3401 k =-0.4985 0.5000 0.2143 ( 2738 PWs) bands (ev): -46.0861 -46.0861 -22.8199 -22.8189 -22.1880 -22.1880 -22.1432 -22.1420 -14.2046 -14.2046 -5.9470 -5.9439 -5.7810 -5.7737 -5.7700 -5.7689 -1.1387 -1.0800 0.6047 0.6076 0.7357 0.8028 6.1040 6.1058 6.5707 6.5713 6.9671 6.9745 7.5580 7.5704 7.7868 7.7960 7.9549 7.9670 9.7041 9.7110 9.7518 9.7534 10.1799 10.1802 14.1741 14.1816 14.2432 14.2441 14.4739 14.4753 16.4196 16.4271 k =-0.4985 0.5000 0.2269 ( 2732 PWs) bands (ev): -46.0861 -46.0861 -22.8203 -22.8193 -22.1879 -22.1879 -22.1447 -22.1435 -14.2019 -14.2018 -5.9257 -5.9224 -5.7740 -5.7662 -5.7637 -5.7626 -1.1649 -1.1053 0.5759 0.5793 0.6940 0.7612 6.1018 6.1035 6.5710 6.5716 7.0248 7.0356 7.5022 7.5108 7.7850 7.8011 7.9543 7.9658 9.7375 9.7443 9.7781 9.7797 10.1825 10.1829 14.1957 14.2029 14.2677 14.2685 14.4837 14.4851 16.5036 16.5115 k =-0.4985 0.5000 0.2395 ( 2736 PWs) bands (ev): -46.0860 -46.0860 -22.8208 -22.8198 -22.1878 -22.1877 -22.1462 -22.1450 -14.1991 -14.1991 -5.9041 -5.9004 -5.7669 -5.7587 -5.7572 -5.7561 -1.1912 -1.1310 0.5469 0.5507 0.6529 0.7196 6.0990 6.1006 6.5714 6.5719 7.0813 7.0959 7.4379 7.4442 7.7852 7.8079 7.9606 7.9711 9.7719 9.7786 9.8058 9.8075 10.1851 10.1856 14.2182 14.2251 14.2927 14.2935 14.4936 14.4950 16.5837 16.5921 k =-0.4985 0.5000 0.2522 ( 2732 PWs) bands (ev): -46.0860 -46.0860 -22.8213 -22.8203 -22.1877 -22.1876 -22.1477 -22.1464 -14.1963 -14.1963 -5.8823 -5.8783 -5.7599 -5.7512 -5.7505 -5.7493 -1.2173 -1.1570 0.5177 0.5222 0.6125 0.6783 6.0958 6.0972 6.5718 6.5723 7.1353 7.1544 7.3696 7.3750 7.7878 7.8162 7.9702 7.9798 9.8072 9.8137 9.8349 9.8367 10.1878 10.1884 14.2415 14.2481 14.3182 14.3189 14.5036 14.5051 16.6587 16.6679 k =-0.4985 0.5000 0.2648 ( 2734 PWs) bands (ev): -46.0859 -46.0859 -22.8218 -22.8208 -22.1876 -22.1875 -22.1491 -22.1479 -14.1936 -14.1936 -5.8605 -5.8560 -5.7529 -5.7439 -5.7436 -5.7422 -1.2432 -1.1831 0.4887 0.4938 0.5732 0.6375 6.0918 6.0931 6.5721 6.5727 7.1831 7.2077 7.3029 7.3090 7.7924 7.8258 7.9812 7.9900 9.8432 9.8495 9.8652 9.8671 10.1905 10.1913 14.2654 14.2717 14.3440 14.3447 14.5135 14.5151 16.7275 16.7378 k =-0.4985 0.5000 0.2774 ( 2738 PWs) bands (ev): -46.0859 -46.0859 -22.8224 -22.8213 -22.1875 -22.1875 -22.1506 -22.1494 -14.1908 -14.1908 -5.8388 -5.8338 -5.7460 -5.7370 -5.7365 -5.7346 -1.2687 -1.2091 0.4598 0.4658 0.5351 0.5974 6.0870 6.0883 6.5725 6.5730 7.1963 7.2118 7.2755 7.2834 7.7989 7.8368 7.9927 8.0008 9.8796 9.8856 9.8965 9.8987 10.1931 10.1941 14.2898 14.2958 14.3699 14.3706 14.5234 14.5250 16.7889 16.8007 k =-0.4985 0.5000 0.2900 ( 2740 PWs) bands (ev): -46.0858 -46.0858 -22.8229 -22.8219 -22.1874 -22.1874 -22.1521 -22.1509 -14.1881 -14.1881 -5.8175 -5.8118 -5.7393 -5.7301 -5.7292 -5.7269 -1.2935 -1.2349 0.4313 0.4383 0.4984 0.5583 6.0814 6.0826 6.5730 6.5734 7.1443 7.1494 7.3061 7.3286 7.8072 7.8490 8.0039 8.0116 9.9160 9.9218 9.9286 9.9311 10.1958 10.1970 14.3144 14.3202 14.3959 14.3965 14.5332 14.5348 16.8419 16.8557 k =-0.4985 0.5000 0.3026 ( 2740 PWs) bands (ev): -46.0858 -46.0858 -22.8233 -22.8224 -22.1873 -22.1873 -22.1535 -22.1523 -14.1854 -14.1854 -5.7968 -5.7901 -5.7328 -5.7231 -5.7219 -5.7192 -1.3177 -1.2603 0.4034 0.4114 0.4634 0.5203 6.0749 6.0759 6.5734 6.5738 7.0802 7.0832 7.3481 7.3766 7.8175 7.8626 8.0147 8.0219 9.9522 9.9576 9.9615 9.9642 10.1984 10.1999 14.3392 14.3448 14.4217 14.4223 14.5427 14.5445 16.8860 16.9021 k =-0.4985 0.5000 0.3152 ( 2740 PWs) bands (ev): -46.0858 -46.0858 -22.8238 -22.8229 -22.1872 -22.1872 -22.1549 -22.1537 -14.1828 -14.1828 -5.7770 -5.7691 -5.7265 -5.7160 -5.7144 -5.7113 -1.3409 -1.2852 0.3761 0.3854 0.4302 0.4835 6.0673 6.0682 6.5738 6.5742 7.0170 7.0193 7.3887 7.4213 7.8299 7.8776 8.0248 8.0317 9.9877 9.9919 9.9958 9.9979 10.2010 10.2029 14.3639 14.3693 14.4472 14.4478 14.5521 14.5539 16.9211 16.9399 k =-0.4985 0.5000 0.3278 ( 2750 PWs) bands (ev): -46.0857 -46.0857 -22.8243 -22.8234 -22.1871 -22.1871 -22.1563 -22.1552 -14.1803 -14.1802 -5.7586 -5.7490 -5.7204 -5.7088 -5.7068 -5.7031 -1.3632 -1.3094 0.3495 0.3602 0.3989 0.4483 6.0586 6.0594 6.5742 6.5746 6.9568 6.9587 7.4262 7.4616 7.8447 7.8939 8.0341 8.0408 10.0223 10.0248 10.0306 10.0319 10.2036 10.2059 14.3884 14.3936 14.4723 14.4728 14.5611 14.5630 16.9477 16.9693 k =-0.4985 0.5000 0.3404 ( 2752 PWs) bands (ev): -46.0857 -46.0857 -22.8247 -22.8239 -22.1871 -22.1870 -22.1575 -22.1565 -14.1778 -14.1778 -5.7422 -5.7303 -5.7145 -5.7015 -5.6986 -5.6942 -1.3843 -1.3328 0.3240 0.3362 0.3697 0.4147 6.0489 6.0496 6.5746 6.5750 6.9006 6.9022 7.4598 7.4970 7.8619 7.9115 8.0426 8.0492 10.0559 10.0569 10.0648 10.0656 10.2061 10.2090 14.4124 14.4175 14.4968 14.4973 14.5697 14.5718 16.9667 16.9912 k =-0.4985 0.5000 0.3530 ( 2758 PWs) bands (ev): -46.0857 -46.0857 -22.8252 -22.8243 -22.1870 -22.1870 -22.1588 -22.1578 -14.1755 -14.1755 -5.7283 -5.7144 -5.7082 -5.6946 -5.6893 -5.6839 -1.4041 -1.3553 0.2996 0.3133 0.3426 0.3829 6.0380 6.0386 6.5750 6.5753 6.8488 6.8503 7.4895 7.5271 7.8815 7.9302 8.0502 8.0567 10.0880 10.0883 10.0979 10.0986 10.2087 10.2122 14.4358 14.4408 14.5205 14.5209 14.5779 14.5801 16.9793 17.0067 k =-0.4985 0.5000 0.3656 ( 2760 PWs) bands (ev): -46.0856 -46.0856 -22.8256 -22.8248 -22.1869 -22.1869 -22.1599 -22.1590 -14.1733 -14.1733 -5.7172 -5.7053 -5.6989 -5.6881 -5.6778 -5.6720 -1.4226 -1.3767 0.2765 0.2917 0.3176 0.3530 6.0262 6.0267 6.5754 6.5757 6.8018 6.8031 7.5153 7.5521 7.9031 7.9496 8.0570 8.0635 10.1179 10.1193 10.1294 10.1303 10.2113 10.2159 14.4583 14.4633 14.5432 14.5436 14.5857 14.5881 16.9870 17.0170 k =-0.4985 0.5000 0.3782 ( 2754 PWs) bands (ev): -46.0856 -46.0856 -22.8259 -22.8252 -22.1868 -22.1868 -22.1609 -22.1600 -14.1712 -14.1712 -5.7084 -5.7000 -5.6897 -5.6820 -5.6642 -5.6590 -1.4396 -1.3969 0.2550 0.2715 0.2948 0.3251 6.0136 6.0139 6.5757 6.5760 6.7597 6.7609 7.5374 7.5724 7.9262 7.9692 8.0629 8.0696 10.1457 10.1488 10.1588 10.1599 10.2143 10.2205 14.4799 14.4848 14.5647 14.5651 14.5931 14.5956 16.9912 17.0233 k =-0.4985 0.5000 0.3908 ( 2746 PWs) bands (ev): -46.0856 -46.0856 -22.8262 -22.8255 -22.1867 -22.1867 -22.1618 -22.1610 -14.1693 -14.1693 -5.7015 -5.6954 -5.6825 -5.6765 -5.6499 -5.6457 -1.4550 -1.4158 0.2353 0.2528 0.2742 0.2995 6.0004 6.0006 6.5761 6.5763 6.7226 6.7236 7.5561 7.5884 7.9500 7.9886 8.0681 8.0750 10.1703 10.1766 10.1857 10.1862 10.2187 10.2270 14.5003 14.5051 14.5845 14.5849 14.6002 14.6029 16.9932 17.0267 k =-0.4985 0.5000 0.4034 ( 2756 PWs) bands (ev): -46.0856 -46.0856 -22.8265 -22.8259 -22.1867 -22.1867 -22.1627 -22.1620 -14.1676 -14.1676 -5.6958 -5.6913 -5.6764 -5.6715 -5.6362 -5.6329 -1.4687 -1.4333 0.2175 0.2355 0.2557 0.2763 5.9869 5.9871 6.5764 6.5766 6.6904 6.6912 7.5718 7.6009 7.9736 8.0072 8.0726 8.0798 10.1896 10.2013 10.2054 10.2096 10.2287 10.2376 14.5193 14.5241 14.6005 14.6015 14.6091 14.6114 16.9939 17.0276 k =-0.4985 0.5000 0.4160 ( 2756 PWs) bands (ev): -46.0855 -46.0855 -22.8268 -22.8262 -22.1866 -22.1866 -22.1635 -22.1628 -14.1660 -14.1660 -5.6910 -5.6876 -5.6712 -5.6671 -5.6235 -5.6209 -1.4808 -1.4492 0.2018 0.2198 0.2393 0.2555 5.9737 5.9738 6.5767 6.5769 6.6628 6.6635 7.5848 7.6104 7.9964 8.0245 8.0764 8.0840 10.2015 10.2111 10.2264 10.2311 10.2469 10.2530 14.5367 14.5414 14.6087 14.6110 14.6235 14.6245 16.9943 17.0256 k =-0.4985 0.5000 0.4287 ( 2758 PWs) bands (ev): -46.0855 -46.0855 -22.8270 -22.8265 -22.1866 -22.1866 -22.1642 -22.1636 -14.1647 -14.1647 -5.6870 -5.6844 -5.6666 -5.6632 -5.6121 -5.6101 -1.4910 -1.4636 0.1882 0.2057 0.2251 0.2374 5.9611 5.9611 6.5769 6.5771 6.6398 6.6403 7.5957 7.6175 8.0176 8.0400 8.0795 8.0878 10.2081 10.2143 10.2472 10.2506 10.2666 10.2704 14.5523 14.5570 14.6138 14.6166 14.6384 14.6390 16.9953 17.0178 k =-0.4985 0.5000 0.4413 ( 2764 PWs) bands (ev): -46.0855 -46.0855 -22.8272 -22.8268 -22.1866 -22.1865 -22.1648 -22.1643 -14.1635 -14.1635 -5.6836 -5.6817 -5.6628 -5.6600 -5.6023 -5.6008 -1.4993 -1.4762 0.1770 0.1931 0.2130 0.2220 5.9495 5.9495 6.5771 6.5773 6.6208 6.6213 7.6045 7.6226 8.0368 8.0532 8.0820 8.0910 10.2120 10.2162 10.2653 10.2678 10.2844 10.2869 14.5661 14.5706 14.6178 14.6208 14.6516 14.6521 16.9975 17.0015 k =-0.4985 0.5000 0.4539 ( 2768 PWs) bands (ev): -46.0855 -46.0855 -22.8274 -22.8271 -22.1866 -22.1865 -22.1652 -22.1649 -14.1625 -14.1625 -5.6809 -5.6794 -5.6596 -5.6573 -5.5941 -5.5929 -1.5058 -1.4871 0.1682 0.1822 0.2032 0.2095 5.9393 5.9393 6.5773 6.5774 6.6058 6.6062 7.6117 7.6261 8.0536 8.0639 8.0839 8.0938 10.2146 10.2175 10.2805 10.2823 10.2994 10.3012 14.5778 14.5820 14.6210 14.6240 14.6628 14.6632 16.9790 16.9912 k =-0.4985 0.5000 0.4665 ( 2776 PWs) bands (ev): -46.0855 -46.0855 -22.8275 -22.8273 -22.1865 -22.1865 -22.1656 -22.1654 -14.1617 -14.1617 -5.6788 -5.6777 -5.6570 -5.6553 -5.5876 -5.5868 -1.5103 -1.4962 0.1618 0.1729 0.1955 0.1997 5.9310 5.9310 6.5775 6.5776 6.5945 6.5947 7.6175 7.6282 8.0675 8.0720 8.0853 8.0959 10.2164 10.2183 10.2925 10.2938 10.3114 10.3126 14.5874 14.5910 14.6234 14.6262 14.6717 14.6719 16.9589 16.9666 k =-0.4985 0.5000 0.4791 ( 2784 PWs) bands (ev): -46.0855 -46.0855 -22.8276 -22.8275 -22.1865 -22.1865 -22.1659 -22.1657 -14.1612 -14.1612 -5.6772 -5.6765 -5.6551 -5.6539 -5.5829 -5.5823 -1.5129 -1.5034 0.1578 0.1656 0.1901 0.1928 5.9248 5.9248 6.5776 6.5776 6.5866 6.5867 7.6220 7.6291 8.0773 8.0783 8.0865 8.0970 10.2176 10.2188 10.3012 10.3021 10.3201 10.3210 14.5946 14.5974 14.6253 14.6275 14.6781 14.6783 16.9439 16.9487 k =-0.4985 0.5000 0.4917 ( 2790 PWs) bands (ev): -46.0855 -46.0855 -22.8277 -22.8276 -22.1865 -22.1865 -22.1661 -22.1660 -14.1609 -14.1609 -5.6763 -5.6758 -5.6538 -5.6531 -5.5800 -5.5797 -1.5135 -1.5087 0.1562 0.1602 0.1870 0.1886 5.9210 5.9210 6.5776 6.5777 6.5819 6.5820 7.6253 7.6289 8.0811 8.0833 8.0895 8.0965 10.2184 10.2190 10.3065 10.3071 10.3254 10.3260 14.5994 14.6010 14.6266 14.6279 14.6821 14.6822 16.9347 16.9378 k =-0.4985 0.5000 0.5043 ( 2784 PWs) bands (ev): -46.0855 -46.0855 -22.8276 -22.8276 -22.1865 -22.1865 -22.1661 -22.1660 -14.1608 -14.1608 -5.6760 -5.6756 -5.6533 -5.6530 -5.5790 -5.5789 -1.5125 -1.5117 0.1569 0.1573 0.1859 0.1872 5.9197 5.9197 6.5776 6.5777 6.5804 6.5804 7.6273 7.6280 8.0828 8.0835 8.0938 8.0940 10.2189 10.2189 10.3083 10.3088 10.3272 10.3277 14.6016 14.6016 14.6275 14.6276 14.6834 14.6834 16.9318 16.9340 k =-0.4985 0.5000 0.5043 ( 2784 PWs) bands (ev): -46.0855 -46.0855 -22.8276 -22.8276 -22.1865 -22.1865 -22.1661 -22.1660 -14.1608 -14.1608 -5.6760 -5.6756 -5.6533 -5.6530 -5.5790 -5.5789 -1.5125 -1.5117 0.1569 0.1573 0.1859 0.1872 5.9197 5.9197 6.5776 6.5777 6.5804 6.5804 7.6273 7.6280 8.0828 8.0835 8.0938 8.0940 10.2189 10.2189 10.3083 10.3088 10.3272 10.3277 14.6016 14.6016 14.6275 14.6276 14.6834 14.6834 16.9318 16.9340 k =-0.5000 0.4985 0.5043 ( 2784 PWs) bands (ev): -46.0855 -46.0855 -22.8276 -22.8276 -22.1865 -22.1865 -22.1661 -22.1661 -14.1608 -14.1608 -5.6758 -5.6758 -5.6531 -5.6531 -5.5789 -5.5789 -1.5121 -1.5121 0.1571 0.1571 0.1865 0.1865 5.9197 5.9197 6.5776 6.5776 6.5804 6.5804 7.6277 7.6277 8.0832 8.0832 8.0939 8.0939 10.2189 10.2189 10.3086 10.3086 10.3275 10.3275 14.6017 14.6017 14.6276 14.6276 14.6834 14.6834 16.9329 16.9329 k =-0.5000 0.4985 0.5043 ( 2784 PWs) bands (ev): -46.0855 -46.0855 -22.8276 -22.8276 -22.1865 -22.1865 -22.1661 -22.1661 -14.1608 -14.1608 -5.6758 -5.6758 -5.6531 -5.6531 -5.5789 -5.5789 -1.5121 -1.5121 0.1571 0.1571 0.1865 0.1865 5.9197 5.9197 6.5776 6.5776 6.5804 6.5804 7.6277 7.6277 8.0832 8.0832 8.0939 8.0939 10.2189 10.2189 10.3086 10.3086 10.3275 10.3275 14.6017 14.6017 14.6276 14.6276 14.6834 14.6834 16.9329 16.9329 k =-0.5000 0.4985 0.4917 ( 2788 PWs) bands (ev): -46.0855 -46.0855 -22.8277 -22.8276 -22.1865 -22.1865 -22.1661 -22.1660 -14.1609 -14.1609 -5.6762 -5.6759 -5.6537 -5.6532 -5.5800 -5.5797 -1.5135 -1.5088 0.1562 0.1602 0.1872 0.1883 5.9210 5.9210 6.5776 6.5776 6.5819 6.5819 7.6254 7.6289 8.0812 8.0833 8.0894 8.0965 10.2185 10.2191 10.3066 10.3070 10.3256 10.3259 14.5995 14.6010 14.6267 14.6279 14.6821 14.6822 16.9353 16.9373 k =-0.5000 0.4985 0.4791 ( 2784 PWs) bands (ev): -46.0855 -46.0855 -22.8276 -22.8275 -22.1865 -22.1865 -22.1659 -22.1657 -14.1612 -14.1612 -5.6772 -5.6766 -5.6550 -5.6539 -5.5829 -5.5823 -1.5129 -1.5035 0.1578 0.1655 0.1903 0.1926 5.9248 5.9248 6.5775 6.5776 6.5865 6.5867 7.6220 7.6291 8.0776 8.0782 8.0864 8.0970 10.2177 10.2189 10.3013 10.3020 10.3202 10.3209 14.5946 14.5974 14.6253 14.6275 14.6781 14.6783 16.9442 16.9485 k =-0.5000 0.4985 0.4665 ( 2776 PWs) bands (ev): -46.0855 -46.0855 -22.8275 -22.8273 -22.1865 -22.1865 -22.1656 -22.1654 -14.1617 -14.1617 -5.6787 -5.6777 -5.6569 -5.6553 -5.5876 -5.5868 -1.5104 -1.4963 0.1618 0.1729 0.1956 0.1996 5.9310 5.9310 6.5774 6.5775 6.5945 6.5947 7.6175 7.6282 8.0676 8.0720 8.0853 8.0960 10.2164 10.2184 10.2926 10.2937 10.3115 10.3126 14.5874 14.5910 14.6235 14.6262 14.6717 14.6720 16.9592 16.9664 k =-0.5000 0.4985 0.4539 ( 2768 PWs) bands (ev): -46.0855 -46.0855 -22.8274 -22.8271 -22.1865 -22.1865 -22.1652 -22.1649 -14.1625 -14.1625 -5.6809 -5.6795 -5.6595 -5.6573 -5.5941 -5.5929 -1.5058 -1.4872 0.1682 0.1821 0.2033 0.2093 5.9393 5.9393 6.5773 6.5774 6.6058 6.6062 7.6118 7.6261 8.0537 8.0639 8.0839 8.0938 10.2147 10.2175 10.2806 10.2823 10.2995 10.3012 14.5778 14.5820 14.6210 14.6240 14.6628 14.6632 16.9791 16.9915 k =-0.5000 0.4985 0.4413 ( 2764 PWs) bands (ev): -46.0855 -46.0855 -22.8272 -22.8268 -22.1866 -22.1866 -22.1648 -22.1643 -14.1635 -14.1635 -5.6836 -5.6817 -5.6627 -5.6600 -5.6023 -5.6008 -1.4994 -1.4763 0.1770 0.1931 0.2131 0.2219 5.9494 5.9495 6.5771 6.5772 6.6208 6.6213 7.6045 7.6226 8.0369 8.0533 8.0820 8.0910 10.2121 10.2163 10.2654 10.2678 10.2844 10.2869 14.5661 14.5706 14.6179 14.6208 14.6516 14.6521 16.9976 17.0014 k =-0.5000 0.4985 0.4287 ( 2760 PWs) bands (ev): -46.0855 -46.0855 -22.8270 -22.8266 -22.1866 -22.1866 -22.1642 -22.1636 -14.1647 -14.1647 -5.6869 -5.6844 -5.6666 -5.6632 -5.6121 -5.6101 -1.4910 -1.4636 0.1882 0.2056 0.2251 0.2373 5.9610 5.9611 6.5769 6.5770 6.6397 6.6403 7.5957 7.6175 8.0177 8.0400 8.0795 8.0878 10.2082 10.2144 10.2473 10.2506 10.2666 10.2704 14.5524 14.5570 14.6138 14.6166 14.6384 14.6390 16.9953 17.0177 k =-0.5000 0.4985 0.4160 ( 2756 PWs) bands (ev): -46.0855 -46.0855 -22.8268 -22.8262 -22.1866 -22.1866 -22.1635 -22.1628 -14.1660 -14.1660 -5.6909 -5.6876 -5.6711 -5.6671 -5.6235 -5.6209 -1.4808 -1.4492 0.2018 0.2198 0.2393 0.2554 5.9737 5.9738 6.5766 6.5768 6.6628 6.6635 7.5849 7.6104 7.9964 8.0246 8.0764 8.0840 10.2016 10.2112 10.2264 10.2311 10.2470 10.2530 14.5367 14.5414 14.6087 14.6110 14.6235 14.6245 16.9942 17.0255 k =-0.5000 0.4985 0.4034 ( 2756 PWs) bands (ev): -46.0856 -46.0856 -22.8265 -22.8259 -22.1867 -22.1867 -22.1627 -22.1620 -14.1676 -14.1676 -5.6957 -5.6913 -5.6763 -5.6715 -5.6362 -5.6329 -1.4688 -1.4333 0.2175 0.2354 0.2557 0.2762 5.9869 5.9871 6.5763 6.5766 6.6904 6.6912 7.5718 7.6009 7.9736 8.0073 8.0726 8.0798 10.1896 10.2013 10.2054 10.2096 10.2287 10.2376 14.5193 14.5241 14.6006 14.6015 14.6091 14.6114 16.9938 17.0275 k =-0.5000 0.4985 0.3908 ( 2744 PWs) bands (ev): -46.0856 -46.0856 -22.8262 -22.8255 -22.1867 -22.1867 -22.1618 -22.1610 -14.1693 -14.1693 -5.7014 -5.6954 -5.6823 -5.6765 -5.6500 -5.6458 -1.4550 -1.4158 0.2353 0.2527 0.2742 0.2995 6.0003 6.0006 6.5760 6.5763 6.7226 6.7236 7.5561 7.5884 7.9500 7.9887 8.0681 8.0750 10.1704 10.1766 10.1857 10.1862 10.2187 10.2270 14.5003 14.5052 14.5846 14.5849 14.6003 14.6030 16.9931 17.0266 k =-0.5000 0.4985 0.3782 ( 2756 PWs) bands (ev): -46.0856 -46.0856 -22.8259 -22.8252 -22.1868 -22.1868 -22.1609 -22.1600 -14.1712 -14.1712 -5.7084 -5.7000 -5.6896 -5.6820 -5.6642 -5.6591 -1.4396 -1.3969 0.2551 0.2714 0.2948 0.3251 6.0135 6.0139 6.5757 6.5760 6.7597 6.7609 7.5374 7.5724 7.9262 7.9692 8.0629 8.0696 10.1457 10.1489 10.1589 10.1599 10.2143 10.2205 14.4799 14.4848 14.5647 14.5651 14.5931 14.5957 16.9912 17.0232 k =-0.5000 0.4985 0.3656 ( 2760 PWs) bands (ev): -46.0856 -46.0856 -22.8256 -22.8248 -22.1869 -22.1869 -22.1599 -22.1590 -14.1733 -14.1733 -5.7171 -5.7053 -5.6988 -5.6881 -5.6778 -5.6721 -1.4226 -1.3767 0.2766 0.2916 0.3176 0.3529 6.0261 6.0266 6.5753 6.5756 6.8018 6.8031 7.5153 7.5522 7.9032 7.9496 8.0570 8.0635 10.1179 10.1193 10.1294 10.1303 10.2113 10.2159 14.4584 14.4633 14.5432 14.5437 14.5857 14.5881 16.9870 17.0169 k =-0.5000 0.4985 0.3530 ( 2760 PWs) bands (ev): -46.0857 -46.0857 -22.8252 -22.8244 -22.1870 -22.1870 -22.1588 -22.1578 -14.1755 -14.1755 -5.7282 -5.7143 -5.7081 -5.6946 -5.6892 -5.6841 -1.4041 -1.3553 0.2996 0.3132 0.3426 0.3828 6.0380 6.0386 6.5749 6.5753 6.8488 6.8503 7.4896 7.5272 7.8815 7.9302 8.0502 8.0567 10.0881 10.0882 10.0979 10.0986 10.2087 10.2123 14.4358 14.4408 14.5205 14.5210 14.5780 14.5802 16.9792 17.0066 k =-0.5000 0.4985 0.3404 ( 2752 PWs) bands (ev): -46.0857 -46.0857 -22.8247 -22.8239 -22.1871 -22.1870 -22.1575 -22.1565 -14.1778 -14.1778 -5.7421 -5.7302 -5.7145 -5.7016 -5.6984 -5.6944 -1.3843 -1.3329 0.3240 0.3361 0.3697 0.4146 6.0488 6.0495 6.5746 6.5749 6.9006 6.9022 7.4599 7.4970 7.8619 7.9115 8.0426 8.0491 10.0559 10.0570 10.0649 10.0656 10.2062 10.2090 14.4124 14.4175 14.4968 14.4973 14.5697 14.5718 16.9666 16.9911 k =-0.5000 0.4985 0.3278 ( 2752 PWs) bands (ev): -46.0857 -46.0857 -22.8243 -22.8234 -22.1872 -22.1871 -22.1563 -22.1552 -14.1803 -14.1802 -5.7585 -5.7489 -5.7204 -5.7089 -5.7066 -5.7034 -1.3632 -1.3095 0.3496 0.3601 0.3989 0.4482 6.0586 6.0594 6.5742 6.5745 6.9568 6.9587 7.4262 7.4616 7.8447 7.8939 8.0341 8.0408 10.0223 10.0248 10.0306 10.0319 10.2036 10.2059 14.3884 14.3936 14.4723 14.4728 14.5611 14.5630 16.9476 16.9693 k =-0.5000 0.4985 0.3152 ( 2740 PWs) bands (ev): -46.0858 -46.0858 -22.8238 -22.8229 -22.1872 -22.1872 -22.1549 -22.1537 -14.1828 -14.1828 -5.7769 -5.7690 -5.7265 -5.7161 -5.7142 -5.7115 -1.3409 -1.2852 0.3761 0.3853 0.4302 0.4835 6.0673 6.0682 6.5737 6.5742 7.0170 7.0193 7.3887 7.4213 7.8299 7.8776 8.0248 8.0317 9.9877 9.9919 9.9958 9.9980 10.2011 10.2029 14.3639 14.3693 14.4472 14.4478 14.5521 14.5539 16.9211 16.9398 k =-0.5000 0.4985 0.3026 ( 2740 PWs) bands (ev): -46.0858 -46.0858 -22.8233 -22.8224 -22.1873 -22.1873 -22.1535 -22.1523 -14.1854 -14.1854 -5.7967 -5.7901 -5.7328 -5.7232 -5.7217 -5.7194 -1.3177 -1.2603 0.4034 0.4113 0.4634 0.5202 6.0749 6.0759 6.5733 6.5738 7.0802 7.0832 7.3481 7.3766 7.8175 7.8626 8.0147 8.0219 9.9522 9.9576 9.9616 9.9643 10.1985 10.2000 14.3392 14.3448 14.4217 14.4223 14.5428 14.5445 16.8860 16.9021 k =-0.5000 0.4985 0.2900 ( 2740 PWs) bands (ev): -46.0858 -46.0858 -22.8229 -22.8219 -22.1874 -22.1874 -22.1521 -22.1509 -14.1881 -14.1881 -5.8174 -5.8117 -5.7393 -5.7301 -5.7291 -5.7272 -1.2936 -1.2349 0.4314 0.4382 0.4984 0.5582 6.0814 6.0825 6.5729 6.5734 7.1443 7.1494 7.3062 7.3287 7.8072 7.8490 8.0040 8.0115 9.9160 9.9219 9.9286 9.9311 10.1958 10.1971 14.3145 14.3203 14.3959 14.3965 14.5332 14.5349 16.8419 16.8556 k =-0.5000 0.4985 0.2774 ( 2736 PWs) bands (ev): -46.0859 -46.0859 -22.8224 -22.8213 -22.1875 -22.1875 -22.1506 -22.1494 -14.1908 -14.1908 -5.8387 -5.8337 -5.7460 -5.7370 -5.7363 -5.7349 -1.2687 -1.2091 0.4599 0.4657 0.5351 0.5974 6.0870 6.0883 6.5725 6.5730 7.1964 7.2117 7.2755 7.2834 7.7989 7.8367 7.9927 8.0007 9.8796 9.8857 9.8965 9.8987 10.1932 10.1942 14.2898 14.2958 14.3699 14.3706 14.5234 14.5250 16.7889 16.8007 k =-0.5000 0.4985 0.2648 ( 2728 PWs) bands (ev): -46.0859 -46.0859 -22.8218 -22.8208 -22.1876 -22.1875 -22.1491 -22.1479 -14.1936 -14.1936 -5.8604 -5.8559 -5.7529 -5.7439 -5.7434 -5.7425 -1.2432 -1.1831 0.4887 0.4938 0.5732 0.6374 6.0917 6.0931 6.5721 6.5726 7.1831 7.2077 7.3030 7.3090 7.7924 7.8258 7.9813 7.9899 9.8432 9.8495 9.8653 9.8672 10.1905 10.1913 14.2654 14.2717 14.3440 14.3447 14.5136 14.5151 16.7275 16.7378 k =-0.5000 0.4985 0.2522 ( 2732 PWs) bands (ev): -46.0860 -46.0860 -22.8213 -22.8203 -22.1877 -22.1876 -22.1477 -22.1464 -14.1963 -14.1963 -5.8822 -5.8782 -5.7599 -5.7512 -5.7503 -5.7496 -1.2174 -1.1570 0.5178 0.5221 0.6125 0.6782 6.0957 6.0972 6.5717 6.5722 7.1353 7.1544 7.3697 7.3750 7.7878 7.8161 7.9703 7.9797 9.8073 9.8138 9.8350 9.8367 10.1878 10.1885 14.2415 14.2481 14.3182 14.3190 14.5036 14.5051 16.6587 16.6679 k =-0.5000 0.4985 0.2395 ( 2736 PWs) bands (ev): -46.0860 -46.0860 -22.8208 -22.8198 -22.1878 -22.1878 -22.1462 -22.1450 -14.1991 -14.1991 -5.9040 -5.9004 -5.7669 -5.7587 -5.7570 -5.7563 -1.1912 -1.1310 0.5469 0.5507 0.6529 0.7195 6.0990 6.1006 6.5713 6.5719 7.0813 7.0959 7.4380 7.4442 7.7853 7.8078 7.9606 7.9710 9.7719 9.7786 9.8059 9.8075 10.1852 10.1857 14.2182 14.2251 14.2928 14.2936 14.4936 14.4951 16.5837 16.5921 k =-0.5000 0.4985 0.2269 ( 2736 PWs) bands (ev): -46.0861 -46.0861 -22.8204 -22.8194 -22.1879 -22.1879 -22.1447 -22.1435 -14.2019 -14.2018 -5.9257 -5.9223 -5.7740 -5.7662 -5.7636 -5.7628 -1.1649 -1.1053 0.5760 0.5792 0.6940 0.7611 6.1017 6.1034 6.5710 6.5716 7.0248 7.0356 7.5022 7.5107 7.7851 7.8009 7.9544 7.9657 9.7375 9.7443 9.7781 9.7797 10.1825 10.1829 14.1957 14.2029 14.2677 14.2686 14.4837 14.4851 16.5036 16.5114 k =-0.5000 0.4985 0.2143 ( 2736 PWs) bands (ev): -46.0861 -46.0861 -22.8199 -22.8189 -22.1880 -22.1880 -22.1432 -22.1420 -14.2046 -14.2046 -5.9469 -5.9439 -5.7809 -5.7737 -5.7699 -5.7690 -1.1387 -1.0800 0.6048 0.6076 0.7357 0.8028 6.1039 6.1057 6.5706 6.5713 6.9671 6.9745 7.5581 7.5704 7.7872 7.7954 7.9550 7.9668 9.7041 9.7110 9.7519 9.7534 10.1800 10.1803 14.1741 14.1817 14.2432 14.2442 14.4740 14.4753 16.4196 16.4271 k =-0.5000 0.4985 0.2017 ( 2740 PWs) bands (ev): -46.0861 -46.0861 -22.8194 -22.8184 -22.1881 -22.1881 -22.1417 -22.1406 -14.2072 -14.2072 -5.9678 -5.9649 -5.7878 -5.7810 -5.7760 -5.7751 -1.1127 -1.0553 0.6332 0.6356 0.7776 0.8441 6.1057 6.1076 6.5703 6.5710 6.9088 6.9133 7.6011 7.6184 7.7898 7.7909 7.9679 7.9790 9.6720 9.6790 9.7271 9.7287 10.1775 10.1777 14.1536 14.1615 14.2194 14.2205 14.4644 14.4657 16.3328 16.3401 k =-0.5000 0.4985 0.1891 ( 2740 PWs) bands (ev): -46.0862 -46.0862 -22.8189 -22.8180 -22.1882 -22.1882 -22.1403 -22.1392 -14.2098 -14.2098 -5.9880 -5.9854 -5.7945 -5.7881 -5.7819 -5.7810 -1.0870 -1.0312 0.6610 0.6631 0.8195 0.8850 6.1071 6.1091 6.5700 6.5707 6.8505 6.8525 7.6295 7.6511 7.7859 7.7893 7.9981 8.0066 9.6414 9.6482 9.7040 9.7056 10.1750 10.1752 14.1343 14.1425 14.1964 14.1976 14.4550 14.4563 16.2443 16.2515 k =-0.5000 0.4985 0.1765 ( 2744 PWs) bands (ev): -46.0862 -46.0862 -22.8185 -22.8176 -22.1884 -22.1883 -22.1389 -22.1378 -14.2123 -14.2123 -6.0074 -6.0051 -5.8009 -5.7949 -5.7875 -5.7866 -1.0619 -1.0081 0.6881 0.6899 0.8612 0.9252 6.1082 6.1103 6.5697 6.5705 6.7925 6.7927 7.6455 7.6691 7.7786 7.7835 8.0450 8.0504 9.6122 9.6190 9.6826 9.6842 10.1727 10.1727 14.1164 14.1249 14.1743 14.1756 14.4459 14.4472 16.1551 16.1623 k =-0.5000 0.4985 0.1639 ( 2740 PWs) bands (ev): -46.0863 -46.0863 -22.8180 -22.8172 -22.1884 -22.1884 -22.1376 -22.1365 -14.2147 -14.2147 -6.0260 -6.0239 -5.8070 -5.8015 -5.7928 -5.7920 -1.0375 -0.9860 0.7142 0.7158 0.9022 0.9642 6.1090 6.1113 6.5694 6.5702 6.7341 6.7362 7.6530 7.6766 7.7683 7.7731 8.1037 8.1065 9.5848 9.5913 9.6629 9.6645 10.1705 10.1705 14.0998 14.1087 14.1533 14.1547 14.4372 14.4384 16.0661 16.0733 k =-0.5000 0.4985 0.1513 ( 2744 PWs) bands (ev): -46.0863 -46.0863 -22.8176 -22.8168 -22.1885 -22.1885 -22.1363 -22.1353 -14.2170 -14.2170 -6.0437 -6.0417 -5.8129 -5.8077 -5.7979 -5.7971 -1.0140 -0.9651 0.7393 0.7406 0.9423 1.0018 6.1097 6.1120 6.5689 6.5700 6.6776 6.6813 7.6555 7.6778 7.7555 7.7596 8.1686 8.1697 9.5591 9.5654 9.6448 9.6464 10.1683 10.1683 14.0848 14.0940 14.1334 14.1350 14.4290 14.4301 15.9783 15.9855 k =-0.5000 0.4985 0.1387 ( 2752 PWs) bands (ev): -46.0863 -46.0863 -22.8172 -22.8165 -22.1886 -22.1886 -22.1351 -22.1342 -14.2191 -14.2191 -6.0603 -6.0585 -5.8183 -5.8136 -5.8026 -5.8019 -0.9914 -0.9455 0.7631 0.7642 0.9812 1.0377 6.1101 6.1125 6.5681 6.5698 6.6236 6.6289 7.6551 7.6755 7.7413 7.7446 8.2358 8.2359 9.5352 9.5412 9.6284 9.6300 10.1663 10.1664 14.0714 14.0808 14.1148 14.1166 14.4211 14.4223 15.8927 15.8998 k =-0.5000 0.4985 0.1261 ( 2754 PWs) bands (ev): -46.0864 -46.0864 -22.8169 -22.8162 -22.1887 -22.1887 -22.1339 -22.1331 -14.2212 -14.2212 -6.0758 -6.0742 -5.8234 -5.8191 -5.8070 -5.8063 -0.9701 -0.9273 0.7854 0.7864 1.0185 1.0716 6.1104 6.1129 6.5632 6.5676 6.5745 6.5832 7.6530 7.6714 7.7262 7.7289 8.3022 8.3030 9.5132 9.5188 9.6136 9.6152 10.1644 10.1645 14.0595 14.0691 14.0976 14.0996 14.4138 14.4149 15.8102 15.8172 k =-0.5000 0.4985 0.1135 ( 2756 PWs) bands (ev): -46.0864 -46.0864 -22.8165 -22.8159 -22.1888 -22.1888 -22.1329 -22.1321 -14.2230 -14.2230 -6.0901 -6.0886 -5.8281 -5.8242 -5.8111 -5.8105 -0.9500 -0.9107 0.8062 0.8071 1.0539 1.1032 6.1106 6.1132 6.5241 6.5274 6.5700 6.5714 7.6500 7.6663 7.7112 7.7133 8.3668 8.3680 9.4931 9.4983 9.6003 9.6019 10.1627 10.1628 14.0492 14.0589 14.0820 14.0842 14.4071 14.4081 15.7316 15.7384 k =-0.5000 0.4985 0.1009 ( 2746 PWs) bands (ev): -46.0864 -46.0864 -22.8162 -22.8156 -22.1889 -22.1888 -22.1318 -22.1311 -14.2247 -14.2247 -6.1030 -6.1018 -5.8323 -5.8288 -5.8148 -5.8142 -0.9314 -0.8958 0.8253 0.8260 1.0871 1.1321 6.1107 6.1133 6.4801 6.4844 6.5698 6.5703 7.6466 7.6608 7.6966 7.6982 8.4282 8.4297 9.4750 9.4796 9.5886 9.5902 10.1611 10.1612 14.0403 14.0499 14.0682 14.0705 14.4009 14.4019 15.6580 15.6645 k =-0.5000 0.4985 0.0883 ( 2740 PWs) bands (ev): -46.0864 -46.0864 -22.8159 -22.8153 -22.1889 -22.1889 -22.1309 -22.1303 -14.2262 -14.2262 -6.1146 -6.1135 -5.8361 -5.8330 -5.8180 -5.8175 -0.9144 -0.8827 0.8424 0.8430 1.1177 1.1581 6.1108 6.1133 6.4402 6.4447 6.5697 6.5699 7.6431 7.6552 7.6828 7.6840 8.4852 8.4868 9.4589 9.4630 9.5783 9.5798 10.1597 10.1599 14.0327 14.0417 14.0565 14.0588 14.3954 14.3963 15.5902 15.5963 k =-0.5000 0.4985 0.0756 ( 2736 PWs) bands (ev): -46.0865 -46.0865 -22.8156 -22.8151 -22.1889 -22.1889 -22.1301 -22.1296 -14.2276 -14.2276 -6.1248 -6.1238 -5.8393 -5.8367 -5.8209 -5.8205 -0.8990 -0.8715 0.8576 0.8581 1.1455 1.1808 6.1108 6.1133 6.4050 6.4092 6.5696 6.5698 7.6397 7.6499 7.6703 7.6711 8.5368 8.5384 9.4448 9.4483 9.5695 9.5709 10.1585 10.1586 14.0261 14.0339 14.0475 14.0491 14.3906 14.3914 15.5291 15.5348 k =-0.5000 0.4985 0.0630 ( 2736 PWs) bands (ev): -46.0865 -46.0865 -22.8153 -22.8150 -22.1890 -22.1890 -22.1294 -22.1290 -14.2287 -14.2287 -6.1334 -6.1326 -5.8421 -5.8398 -5.8234 -5.8230 -0.8854 -0.8623 0.8706 0.8710 1.1700 1.2000 6.1108 6.1131 6.3746 6.3783 6.5696 6.5697 7.6367 7.6450 7.6593 7.6598 8.5822 8.5837 9.4327 9.4356 9.5620 9.5633 10.1575 10.1576 14.0202 14.0263 14.0412 14.0418 14.3865 14.3871 15.4758 15.4807 k =-0.5000 0.4985 0.0504 ( 2736 PWs) bands (ev): -46.0865 -46.0865 -22.8151 -22.8148 -22.1890 -22.1890 -22.1288 -22.1285 -14.2296 -14.2296 -6.1406 -6.1399 -5.8443 -5.8425 -5.8254 -5.8251 -0.8738 -0.8551 0.8814 0.8818 1.1911 1.2154 6.1108 6.1129 6.3494 6.3525 6.5696 6.5696 7.6342 7.6405 7.6500 7.6502 8.6205 8.6219 9.4227 9.4251 9.5559 9.5570 10.1566 10.1567 14.0150 14.0193 14.0366 14.0370 14.3830 14.3836 15.4308 15.4350 k =-0.5000 0.4985 0.0378 ( 2736 PWs) bands (ev): -46.0865 -46.0865 -22.8150 -22.8147 -22.1890 -22.1890 -22.1284 -22.1281 -14.2304 -14.2304 -6.1461 -6.1457 -5.8460 -5.8447 -5.8269 -5.8267 -0.8641 -0.8499 0.8900 0.8902 1.2085 1.2269 6.1108 6.1125 6.3297 6.3320 6.5696 6.5696 7.6323 7.6367 7.6425 7.6427 8.6512 8.6523 9.4149 9.4167 9.5513 9.5521 10.1560 10.1561 14.0106 14.0134 14.0334 14.0342 14.3804 14.3808 15.3952 15.3984 k =-0.5000 0.4985 0.0252 ( 2732 PWs) bands (ev): -46.0865 -46.0865 -22.8148 -22.8147 -22.1890 -22.1890 -22.1280 -22.1278 -14.2309 -14.2309 -6.1501 -6.1498 -5.8471 -5.8463 -5.8280 -5.8279 -0.8564 -0.8469 0.8961 0.8963 1.2220 1.2344 6.1109 6.1122 6.3156 6.3172 6.5695 6.5696 7.6311 7.6336 7.6370 7.6376 8.6736 8.6744 9.4094 9.4105 9.5480 9.5486 10.1555 10.1556 14.0073 14.0090 14.0315 14.0323 14.3785 14.3788 15.3694 15.3716 k =-0.5000 0.4985 0.0126 ( 2728 PWs) bands (ev): -46.0865 -46.0865 -22.8147 -22.8146 -22.1891 -22.1890 -22.1277 -22.1276 -14.2312 -14.2312 -6.1525 -6.1523 -5.8478 -5.8473 -5.8287 -5.8286 -0.8508 -0.8461 0.8998 0.8999 1.2314 1.2376 6.1111 6.1118 6.3073 6.3080 6.5695 6.5695 7.6305 7.6314 7.6338 7.6345 8.6874 8.6878 9.4061 9.4067 9.5460 9.5463 10.1552 10.1553 14.0054 14.0062 14.0307 14.0312 14.3774 14.3776 15.3539 15.3551 k =-0.5000 0.4985 0.0000 ( 2728 PWs) bands (ev): -46.0865 -46.0865 -22.8147 -22.8147 -22.1891 -22.1891 -22.1276 -22.1276 -14.2313 -14.2313 -6.1532 -6.1532 -5.8478 -5.8478 -5.8289 -5.8289 -0.8474 -0.8474 0.9011 0.9011 1.2366 1.2366 6.1114 6.1114 6.3047 6.3047 6.5695 6.5695 7.6304 7.6304 7.6331 7.6331 8.6921 8.6921 9.4052 9.4052 9.5455 9.5455 10.1551 10.1551 14.0050 14.0050 14.0307 14.0307 14.3771 14.3771 15.3491 15.3491 k = 0.0000 0.0000 0.5043 ( 2762 PWs) bands (ev): -46.0873 -46.0873 -22.8006 -22.8006 -22.1540 -22.1540 -22.1378 -22.1378 -14.2979 -14.2979 -6.7756 -6.7756 -5.8501 -5.8501 -5.5172 -5.5172 -0.7517 -0.7517 1.1498 1.1498 1.2868 1.2868 6.3920 6.3920 7.5922 7.5922 7.6121 7.6121 8.1702 8.1702 8.2695 8.2695 8.5995 8.5995 8.7402 8.7402 9.3225 9.3225 9.4296 9.4296 12.7097 12.7097 13.9605 13.9605 14.0599 14.0599 14.5831 14.5831 k =-0.0089 0.0089 0.5043 ( 2766 PWs) bands (ev): -46.0873 -46.0873 -22.8006 -22.8006 -22.1540 -22.1540 -22.1379 -22.1379 -14.2978 -14.2978 -6.7749 -6.7749 -5.8499 -5.8499 -5.5176 -5.5176 -0.7518 -0.7518 1.1497 1.1497 1.2861 1.2861 6.3917 6.3917 7.5925 7.5925 7.6118 7.6118 8.1611 8.1611 8.2653 8.2653 8.6055 8.6055 8.7476 8.7476 9.3196 9.3196 9.4280 9.4280 12.7119 12.7119 13.9606 13.9606 14.0599 14.0599 14.5864 14.5864 k =-0.0179 0.0178 0.5043 ( 2758 PWs) bands (ev): -46.0873 -46.0873 -22.8007 -22.8007 -22.1540 -22.1540 -22.1379 -22.1379 -14.2974 -14.2974 -6.7726 -6.7726 -5.8495 -5.8495 -5.5186 -5.5186 -0.7524 -0.7524 1.1493 1.1493 1.2843 1.2843 6.3907 6.3907 7.5932 7.5932 7.6108 7.6108 8.1350 8.1350 8.2534 8.2534 8.6227 8.6227 8.7687 8.7687 9.3112 9.3112 9.4232 9.4232 12.7184 12.7184 13.9610 13.9610 14.0602 14.0602 14.5960 14.5960 k =-0.0268 0.0267 0.5043 ( 2758 PWs) bands (ev): -46.0873 -46.0873 -22.8008 -22.8008 -22.1540 -22.1540 -22.1381 -22.1381 -14.2969 -14.2969 -6.7689 -6.7689 -5.8488 -5.8488 -5.5204 -5.5204 -0.7533 -0.7533 1.1485 1.1485 1.2813 1.2813 6.3891 6.3891 7.5944 7.5944 7.6093 7.6093 8.0957 8.0957 8.2357 8.2357 8.6486 8.6486 8.8002 8.8002 9.2973 9.2973 9.4153 9.4153 12.7293 12.7293 13.9616 13.9616 14.0605 14.0605 14.6121 14.6121 k =-0.0357 0.0356 0.5043 ( 2762 PWs) bands (ev): -46.0873 -46.0873 -22.8009 -22.8009 -22.1541 -22.1541 -22.1384 -22.1384 -14.2961 -14.2961 -6.7637 -6.7637 -5.8478 -5.8478 -5.5228 -5.5228 -0.7547 -0.7547 1.1474 1.1474 1.2772 1.2772 6.3869 6.3869 7.5957 7.5957 7.6075 7.6075 8.0467 8.0467 8.2143 8.2143 8.6812 8.6812 8.8389 8.8389 9.2780 9.2780 9.4046 9.4046 12.7444 12.7444 13.9625 13.9625 14.0611 14.0611 14.6343 14.6343 k =-0.0446 0.0445 0.5043 ( 2758 PWs) bands (ev): -46.0873 -46.0873 -22.8011 -22.8011 -22.1542 -22.1542 -22.1387 -22.1387 -14.2951 -14.2951 -6.7570 -6.7570 -5.8466 -5.8466 -5.5258 -5.5258 -0.7565 -0.7565 1.1456 1.1456 1.2722 1.2722 6.3840 6.3840 7.5965 7.5965 7.6059 7.6059 7.9910 7.9910 8.1907 8.1907 8.7185 8.7185 8.8821 8.8821 9.2534 9.2534 9.3913 9.3913 12.7636 12.7636 13.9638 13.9638 14.0619 14.0619 14.6627 14.6627 k =-0.0536 0.0534 0.5043 ( 2754 PWs) bands (ev): -46.0873 -46.0873 -22.8013 -22.8013 -22.1543 -22.1543 -22.1391 -22.1391 -14.2939 -14.2939 -6.7488 -6.7488 -5.8450 -5.8450 -5.5295 -5.5295 -0.7588 -0.7588 1.1430 1.1430 1.2664 1.2664 6.3807 6.3807 7.5953 7.5953 7.6059 7.6059 7.9310 7.9310 8.1662 8.1662 8.7594 8.7594 8.9277 8.9277 9.2239 9.2239 9.3756 9.3756 12.7868 12.7868 13.9654 13.9654 14.0629 14.0629 14.6969 14.6969 k =-0.0625 0.0623 0.5043 ( 2762 PWs) bands (ev): -46.0873 -46.0873 -22.8016 -22.8016 -22.1544 -22.1544 -22.1397 -22.1397 -14.2924 -14.2924 -6.7392 -6.7392 -5.8432 -5.8432 -5.5337 -5.5337 -0.7617 -0.7617 1.1393 1.1393 1.2601 1.2601 6.3768 6.3768 7.5918 7.5918 7.6074 7.6074 7.8682 7.8682 8.1416 8.1416 8.8030 8.8030 8.9744 8.9744 9.1896 9.1896 9.3580 9.3580 12.8136 12.8136 13.9675 13.9675 14.0642 14.0642 14.7367 14.7367 k =-0.0714 0.0712 0.5043 ( 2758 PWs) bands (ev): -46.0872 -46.0872 -22.8019 -22.8019 -22.1546 -22.1546 -22.1402 -22.1402 -14.2908 -14.2908 -6.7282 -6.7282 -5.8412 -5.8412 -5.5385 -5.5385 -0.7651 -0.7651 1.1343 1.1343 1.2535 1.2535 6.3725 6.3725 7.5869 7.5869 7.6096 7.6096 7.8039 7.8039 8.1174 8.1174 8.8486 8.8486 9.0212 9.0212 9.1510 9.1510 9.3389 9.3389 12.8439 12.8439 13.9702 13.9702 14.0659 14.0659 14.7820 14.7820 k =-0.0804 0.0801 0.5043 ( 2752 PWs) bands (ev): -46.0872 -46.0872 -22.8022 -22.8022 -22.1547 -22.1547 -22.1408 -22.1408 -14.2890 -14.2890 -6.7158 -6.7158 -5.8389 -5.8389 -5.5437 -5.5437 -0.7693 -0.7693 1.1276 1.1276 1.2468 1.2468 6.3678 6.3678 7.5808 7.5808 7.6117 7.6117 7.7390 7.7390 8.0939 8.0939 8.8958 8.8958 9.0671 9.0671 9.1089 9.1089 9.3187 9.3187 12.8776 12.8776 13.9734 13.9734 14.0680 14.0680 14.8322 14.8322 k =-0.0893 0.0890 0.5043 ( 2752 PWs) bands (ev): -46.0872 -46.0872 -22.8026 -22.8026 -22.1549 -22.1549 -22.1415 -22.1415 -14.2870 -14.2870 -6.7019 -6.7019 -5.8363 -5.8363 -5.5493 -5.5493 -0.7741 -0.7741 1.1189 1.1189 1.2403 1.2403 6.3627 6.3627 7.5737 7.5737 7.6134 7.6134 7.6744 7.6744 8.0715 8.0715 8.9441 8.9441 9.0613 9.0613 9.1142 9.1142 9.2980 9.2980 12.9143 12.9143 13.9773 13.9773 14.0705 14.0705 14.8873 14.8873 k =-0.0982 0.0979 0.5043 ( 2754 PWs) bands (ev): -46.0872 -46.0872 -22.8030 -22.8030 -22.1551 -22.1551 -22.1423 -22.1423 -14.2847 -14.2847 -6.6868 -6.6868 -5.8335 -5.8335 -5.5552 -5.5552 -0.7797 -0.7797 1.1080 1.1080 1.2340 1.2340 6.3574 6.3574 7.5648 7.5649 7.6101 7.6101 7.6159 7.6159 8.0501 8.0501 8.9906 8.9906 9.0150 9.0150 9.1584 9.1584 9.2772 9.2772 12.9537 12.9537 13.9819 13.9819 14.0736 14.0736 14.9467 14.9467 k =-0.1071 0.1068 0.5043 ( 2758 PWs) bands (ev): -46.0871 -46.0871 -22.8035 -22.8035 -22.1553 -22.1553 -22.1432 -22.1432 -14.2824 -14.2824 -6.6703 -6.6703 -5.8304 -5.8304 -5.5615 -5.5615 -0.7862 -0.7862 1.0949 1.0949 1.2279 1.2279 6.3518 6.3518 7.5406 7.5406 7.5644 7.5644 7.6146 7.6146 8.0301 8.0301 8.9575 8.9575 9.0458 9.0458 9.2014 9.2014 9.2572 9.2572 12.9957 12.9957 13.9872 13.9872 14.0772 14.0772 15.0103 15.0103 k =-0.1161 0.1157 0.5043 ( 2760 PWs) bands (ev): -46.0871 -46.0871 -22.8040 -22.8040 -22.1556 -22.1556 -22.1441 -22.1441 -14.2798 -14.2798 -6.6526 -6.6526 -5.8272 -5.8272 -5.5679 -5.5679 -0.7936 -0.7936 1.0796 1.0796 1.2219 1.2219 6.3461 6.3461 7.4840 7.4840 7.5510 7.5510 7.6132 7.6132 8.0113 8.0113 8.9028 8.9028 9.0962 9.0962 9.2331 9.2331 9.2484 9.2484 13.0400 13.0400 13.9934 13.9934 14.0816 14.0816 15.0776 15.0776 k =-0.1250 0.1246 0.5043 ( 2752 PWs) bands (ev): -46.0870 -46.0870 -22.8044 -22.8044 -22.1558 -22.1558 -22.1450 -22.1450 -14.2771 -14.2771 -6.6336 -6.6336 -5.8237 -5.8237 -5.5745 -5.5745 -0.8019 -0.8019 1.0623 1.0623 1.2158 1.2158 6.3403 6.3403 7.4263 7.4263 7.5400 7.5400 7.6102 7.6102 7.9938 7.9938 8.8457 8.8457 9.1473 9.1473 9.2185 9.2185 9.2860 9.2860 13.0862 13.0862 14.0004 14.0004 14.0866 14.0866 15.1484 15.1484 k =-0.1339 0.1335 0.5043 ( 2748 PWs) bands (ev): -46.0870 -46.0870 -22.8050 -22.8050 -22.1560 -22.1560 -22.1459 -22.1459 -14.2742 -14.2742 -6.6134 -6.6134 -5.8199 -5.8199 -5.5811 -5.5811 -0.8111 -0.8111 1.0431 1.0431 1.2092 1.2092 6.3344 6.3344 7.3712 7.3712 7.5285 7.5285 7.6052 7.6052 7.9777 7.9777 8.7870 8.7870 9.1985 9.1985 9.2032 9.2032 9.3253 9.3253 13.1343 13.1343 14.0083 14.0083 14.0924 14.0924 15.2223 15.2223 k =-0.1429 0.1424 0.5043 ( 2748 PWs) bands (ev): -46.0870 -46.0870 -22.8055 -22.8055 -22.1563 -22.1563 -22.1470 -22.1470 -14.2712 -14.2712 -6.5921 -6.5921 -5.8160 -5.8160 -5.5877 -5.5877 -0.8214 -0.8214 1.0222 1.0222 1.2019 1.2019 6.3285 6.3285 7.3194 7.3194 7.5159 7.5159 7.5979 7.5979 7.9628 7.9628 8.7272 8.7272 9.1900 9.1900 9.2500 9.2500 9.3635 9.3635 13.1838 13.1838 14.0171 14.0171 14.0991 14.0991 15.2989 15.2989 k =-0.1518 0.1513 0.5043 ( 2756 PWs) bands (ev): -46.0869 -46.0869 -22.8062 -22.8062 -22.1566 -22.1566 -22.1482 -22.1482 -14.2680 -14.2680 -6.5697 -6.5697 -5.8119 -5.8119 -5.5943 -5.5943 -0.8327 -0.8327 0.9998 0.9998 1.1935 1.1935 6.3227 6.3227 7.2713 7.2713 7.5022 7.5022 7.5882 7.5882 7.9491 7.9491 8.6669 8.6669 9.1799 9.1799 9.3011 9.3011 9.4005 9.4005 13.2346 13.2346 14.0268 14.0268 14.1067 14.1067 15.3779 15.3779 k =-0.1607 0.1602 0.5043 ( 2756 PWs) bands (ev): -46.0869 -46.0869 -22.8068 -22.8068 -22.1569 -22.1569 -22.1493 -22.1493 -14.2647 -14.2647 -6.5462 -6.5462 -5.8076 -5.8076 -5.6007 -5.6007 -0.8450 -0.8450 0.9761 0.9761 1.1839 1.1839 6.3169 6.3169 7.2273 7.2273 7.4873 7.4873 7.5757 7.5757 7.9366 7.9366 8.6066 8.6066 9.1732 9.1732 9.3518 9.3518 9.4364 9.4364 13.2864 13.2864 14.0375 14.0375 14.1151 14.1151 15.4590 15.4590 k =-0.1696 0.1691 0.5043 ( 2754 PWs) bands (ev): -46.0868 -46.0868 -22.8074 -22.8074 -22.1572 -22.1572 -22.1505 -22.1505 -14.2613 -14.2613 -6.5217 -6.5217 -5.8032 -5.8032 -5.6070 -5.6070 -0.8584 -0.8584 0.9511 0.9511 1.1727 1.1727 6.3113 6.3113 7.1878 7.1878 7.4708 7.4708 7.5604 7.5604 7.9252 7.9252 8.5468 8.5468 9.1703 9.1703 9.4019 9.4019 9.4713 9.4713 13.3391 13.3391 14.0491 14.0491 14.1246 14.1246 15.5419 15.5419 k =-0.1786 0.1780 0.5043 ( 2754 PWs) bands (ev): -46.0868 -46.0868 -22.8081 -22.8081 -22.1575 -22.1575 -22.1517 -22.1517 -14.2579 -14.2579 -6.4962 -6.4962 -5.7986 -5.7986 -5.6130 -5.6130 -0.8728 -0.8728 0.9251 0.9251 1.1598 1.1598 6.3057 6.3057 7.1531 7.1531 7.4527 7.4527 7.5421 7.5421 7.9147 7.9147 8.4882 8.4882 9.1712 9.1712 9.4511 9.4511 9.5053 9.5053 13.3923 13.3923 14.0615 14.0615 14.1350 14.1350 15.6262 15.6262 k =-0.1875 0.1869 0.5043 ( 2754 PWs) bands (ev): -46.0867 -46.0867 -22.8088 -22.8088 -22.1578 -22.1578 -22.1530 -22.1530 -14.2543 -14.2543 -6.4699 -6.4699 -5.7938 -5.7938 -5.6186 -5.6186 -0.8882 -0.8882 0.8982 0.8982 1.1450 1.1450 6.3003 6.3003 7.1233 7.1233 7.4327 7.4327 7.5210 7.5210 7.9051 7.9051 8.4314 8.4314 9.1763 9.1763 9.4990 9.4990 9.5388 9.5388 13.4459 13.4459 14.0749 14.0749 14.1465 14.1465 15.7116 15.7116 k =-0.1964 0.1958 0.5043 ( 2754 PWs) bands (ev): -46.0867 -46.0867 -22.8095 -22.8095 -22.1581 -22.1581 -22.1542 -22.1542 -14.2506 -14.2506 -6.4428 -6.4428 -5.7889 -5.7889 -5.6239 -5.6239 -0.9046 -0.9046 0.8706 0.8706 1.1281 1.1281 6.2950 6.2950 7.0988 7.0988 7.4107 7.4107 7.4970 7.4970 7.8963 7.8963 8.3769 8.3769 9.1855 9.1855 9.5447 9.5447 9.5726 9.5726 13.4996 13.4996 14.0892 14.0892 14.1590 14.1590 15.7979 15.7979 k =-0.2054 0.2047 0.5043 ( 2754 PWs) bands (ev): -46.0866 -46.0866 -22.8102 -22.8102 -22.1585 -22.1585 -22.1555 -22.1555 -14.2469 -14.2469 -6.4149 -6.4149 -5.7839 -5.7839 -5.6288 -5.6288 -0.9219 -0.9219 0.8422 0.8422 1.1091 1.1091 6.2898 6.2898 7.0796 7.0796 7.3864 7.3864 7.4703 7.4703 7.8881 7.8881 8.3255 8.3255 9.1987 9.1987 9.5859 9.5859 9.6090 9.6090 13.5534 13.5534 14.1043 14.1043 14.1725 14.1725 15.8846 15.8846 k =-0.2143 0.2136 0.5043 ( 2750 PWs) bands (ev): -46.0866 -46.0866 -22.8109 -22.8109 -22.1588 -22.1588 -22.1568 -22.1568 -14.2431 -14.2431 -6.3864 -6.3864 -5.7788 -5.7788 -5.6332 -5.6332 -0.9402 -0.9402 0.8133 0.8133 1.0878 1.0878 6.2846 6.2846 7.0657 7.0657 7.3597 7.3597 7.4411 7.4411 7.8803 7.8803 8.2777 8.2777 9.2159 9.2159 9.6210 9.6210 9.6496 9.6496 13.6070 13.6070 14.1201 14.1201 14.1870 14.1870 15.9715 15.9715 k =-0.2232 0.2225 0.5043 ( 2746 PWs) bands (ev): -46.0865 -46.0865 -22.8116 -22.8116 -22.1592 -22.1592 -22.1580 -22.1580 -14.2393 -14.2393 -6.3572 -6.3572 -5.7737 -5.7737 -5.6371 -5.6371 -0.9593 -0.9593 0.7840 0.7840 1.0642 1.0642 6.2796 6.2796 7.0572 7.0572 7.3304 7.3304 7.4096 7.4096 7.8729 7.8729 8.2340 8.2340 9.2369 9.2369 9.6522 9.6522 9.6921 9.6921 13.6602 13.6602 14.1368 14.1368 14.2025 14.2025 16.0583 16.0583 k =-0.2321 0.2314 0.5043 ( 2750 PWs) bands (ev): -46.0865 -46.0865 -22.8124 -22.8124 -22.1599 -22.1599 -22.1590 -22.1590 -14.2355 -14.2355 -6.3275 -6.3275 -5.7684 -5.7684 -5.6404 -5.6404 -0.9793 -0.9793 0.7544 0.7544 1.0385 1.0385 6.2745 6.2745 7.0540 7.0540 7.2986 7.2986 7.3762 7.3762 7.8658 7.8658 8.1949 8.1949 9.2614 9.2614 9.6816 9.6816 9.7344 9.7344 13.7129 13.7129 14.1541 14.1541 14.2189 14.2189 16.1445 16.1445 k =-0.2411 0.2403 0.5043 ( 2748 PWs) bands (ev): -46.0864 -46.0864 -22.8131 -22.8131 -22.1611 -22.1611 -22.1596 -22.1596 -14.2316 -14.2316 -6.2974 -6.2974 -5.7631 -5.7631 -5.6433 -5.6433 -0.9999 -0.9999 0.7245 0.7245 1.0105 1.0105 6.2693 6.2693 7.0560 7.0560 7.2642 7.2642 7.3411 7.3411 7.8588 7.8588 8.1606 8.1606 9.2892 9.2892 9.7100 9.7100 9.7758 9.7758 13.7650 13.7650 14.1720 14.1720 14.2362 14.2362 16.2298 16.2298 k =-0.2500 0.2492 0.5043 ( 2744 PWs) bands (ev): -46.0864 -46.0864 -22.8139 -22.8139 -22.1624 -22.1624 -22.1600 -22.1600 -14.2278 -14.2278 -6.2669 -6.2669 -5.7578 -5.7578 -5.6455 -5.6455 -1.0213 -1.0213 0.6946 0.6946 0.9804 0.9804 6.2639 6.2639 7.0627 7.0627 7.2277 7.2277 7.3046 7.3046 7.8520 7.8520 8.1313 8.1313 9.3201 9.3201 9.7377 9.7377 9.8158 9.8158 13.8163 13.8163 14.1906 14.1906 14.2543 14.2543 16.3139 16.3139 k =-0.2589 0.2581 0.5043 ( 2744 PWs) bands (ev): -46.0863 -46.0863 -22.8146 -22.8146 -22.1637 -22.1637 -22.1603 -22.1603 -14.2239 -14.2239 -6.2362 -6.2362 -5.7524 -5.7524 -5.6471 -5.6471 -1.0433 -1.0433 0.6646 0.6646 0.9484 0.9484 6.2583 6.2583 7.0735 7.0735 7.1898 7.1898 7.2670 7.2670 7.8455 7.8455 8.1069 8.1069 9.3536 9.3536 9.7648 9.7648 9.8545 9.8545 13.8667 13.8667 14.2096 14.2096 14.2732 14.2732 16.3964 16.3964 k =-0.2679 0.2670 0.5043 ( 2748 PWs) bands (ev): -46.0863 -46.0863 -22.8154 -22.8154 -22.1651 -22.1651 -22.1607 -22.1607 -14.2201 -14.2201 -6.2053 -6.2053 -5.7471 -5.7471 -5.6482 -5.6482 -1.0658 -1.0658 0.6348 0.6348 0.9146 0.9146 6.2524 6.2524 7.0862 7.0862 7.1528 7.1528 7.2286 7.2286 7.8393 7.8393 8.0871 8.0871 9.3895 9.3895 9.7915 9.7915 9.8916 9.8916 13.9161 13.9161 14.2291 14.2291 14.2928 14.2928 16.4768 16.4768 k =-0.2768 0.2759 0.5043 ( 2742 PWs) bands (ev): -46.0862 -46.0862 -22.8161 -22.8161 -22.1664 -22.1664 -22.1610 -22.1610 -14.2163 -14.2163 -6.1743 -6.1743 -5.7418 -5.7418 -5.6486 -5.6486 -1.0888 -1.0888 0.6051 0.6051 0.8792 0.8792 6.2459 6.2459 7.0854 7.0854 7.1323 7.1323 7.1897 7.1897 7.8337 7.8337 8.0714 8.0714 9.4275 9.4275 9.8178 9.8178 9.9271 9.9271 13.9644 13.9644 14.2489 14.2489 14.3129 14.3129 16.5547 16.5547 k =-0.2857 0.2848 0.5043 ( 2738 PWs) bands (ev): -46.0862 -46.0862 -22.8168 -22.8168 -22.1677 -22.1677 -22.1613 -22.1613 -14.2126 -14.2126 -6.1433 -6.1433 -5.7365 -5.7365 -5.6485 -5.6485 -1.1121 -1.1121 0.5758 0.5758 0.8424 0.8424 6.2389 6.2389 7.0530 7.0530 7.1462 7.1462 7.1507 7.1507 7.8290 7.8290 8.0595 8.0595 9.4673 9.4673 9.8438 9.8438 9.9610 9.9610 14.0115 14.0115 14.2690 14.2690 14.3335 14.3335 16.6295 16.6295 k =-0.2946 0.2937 0.5043 ( 2738 PWs) bands (ev): -46.0861 -46.0861 -22.8176 -22.8176 -22.1690 -22.1690 -22.1616 -22.1616 -14.2089 -14.2089 -6.1124 -6.1124 -5.7312 -5.7312 -5.6478 -5.6478 -1.1357 -1.1357 0.5468 0.5468 0.8044 0.8044 6.2311 6.2311 7.0123 7.0123 7.1115 7.1115 7.1718 7.1718 7.8252 7.8252 8.0508 8.0508 9.5085 9.5085 9.8697 9.8697 9.9933 9.9933 14.0574 14.0574 14.2893 14.2893 14.3545 14.3545 16.7007 16.7007 k =-0.3036 0.3026 0.5043 ( 2742 PWs) bands (ev): -46.0861 -46.0861 -22.8183 -22.8183 -22.1703 -22.1703 -22.1620 -22.1620 -14.2053 -14.2053 -6.0817 -6.0817 -5.7260 -5.7260 -5.6465 -5.6465 -1.1595 -1.1595 0.5183 0.5183 0.7656 0.7656 6.2223 6.2223 6.9705 6.9705 7.0727 7.0727 7.2016 7.2016 7.8228 7.8228 8.0447 8.0447 9.5509 9.5509 9.8953 9.8953 10.0238 10.0238 14.1019 14.1019 14.3097 14.3097 14.3757 14.3757 16.7676 16.7676 k =-0.3125 0.3115 0.5043 ( 2746 PWs) bands (ev): -46.0860 -46.0860 -22.8190 -22.8190 -22.1716 -22.1716 -22.1623 -22.1623 -14.2017 -14.2017 -6.0514 -6.0514 -5.7209 -5.7209 -5.6447 -5.6447 -1.1834 -1.1834 0.4904 0.4904 0.7261 0.7261 6.2125 6.2125 6.9292 6.9292 7.0344 7.0344 7.2342 7.2342 7.8218 7.8218 8.0409 8.0409 9.5941 9.5941 9.9208 9.9208 10.0528 10.0528 14.1449 14.1449 14.3301 14.3301 14.3971 14.3971 16.8295 16.8295 k =-0.3214 0.3204 0.5043 ( 2738 PWs) bands (ev): -46.0860 -46.0860 -22.8197 -22.8197 -22.1728 -22.1728 -22.1626 -22.1626 -14.1983 -14.1983 -6.0214 -6.0214 -5.7159 -5.7159 -5.6424 -5.6424 -1.2073 -1.2073 0.4632 0.4632 0.6863 0.6863 6.2015 6.2015 6.8893 6.8893 6.9967 6.9967 7.2685 7.2685 7.8226 7.8226 8.0388 8.0388 9.6380 9.6380 9.9462 9.9462 10.0801 10.0801 14.1865 14.1865 14.3505 14.3505 14.4185 14.4185 16.8858 16.8858 k =-0.3304 0.3293 0.5043 ( 2738 PWs) bands (ev): -46.0859 -46.0859 -22.8204 -22.8204 -22.1740 -22.1740 -22.1628 -22.1628 -14.1949 -14.1949 -5.9920 -5.9920 -5.7110 -5.7110 -5.6397 -5.6397 -1.2311 -1.2311 0.4367 0.4367 0.6463 0.6463 6.1892 6.1892 6.8513 6.8513 6.9599 6.9599 7.3039 7.3039 7.8252 7.8252 8.0382 8.0382 9.6820 9.6820 9.9715 9.9715 10.1058 10.1058 14.2265 14.2265 14.3707 14.3707 14.4398 14.4398 16.9355 16.9355 k =-0.3393 0.3382 0.5043 ( 2738 PWs) bands (ev): -46.0859 -46.0859 -22.8210 -22.8210 -22.1751 -22.1751 -22.1631 -22.1631 -14.1917 -14.1917 -5.9632 -5.9632 -5.7062 -5.7062 -5.6366 -5.6366 -1.2546 -1.2546 0.4110 0.4110 0.6066 0.6066 6.1756 6.1756 6.8156 6.8156 6.9241 6.9241 7.3396 7.3396 7.8299 7.8299 8.0388 8.0388 9.7261 9.7261 9.9967 9.9967 10.1298 10.1298 14.2650 14.2650 14.3906 14.3906 14.4609 14.4609 16.9779 16.9779 k =-0.3482 0.3471 0.5043 ( 2742 PWs) bands (ev): -46.0858 -46.0858 -22.8217 -22.8217 -22.1763 -22.1763 -22.1634 -22.1634 -14.1886 -14.1886 -5.9352 -5.9352 -5.7015 -5.7015 -5.6331 -5.6331 -1.2778 -1.2778 0.3862 0.3862 0.5674 0.5674 6.1605 6.1605 6.7826 6.7826 6.8895 6.8895 7.3749 7.3749 7.8369 7.8369 8.0404 8.0404 9.7698 9.7698 10.0218 10.0218 10.1523 10.1523 14.3018 14.3018 14.4102 14.4102 14.4816 14.4816 17.0124 17.0124 k =-0.3571 0.3560 0.5043 ( 2744 PWs) bands (ev): -46.0858 -46.0858 -22.8223 -22.8223 -22.1773 -22.1773 -22.1637 -22.1637 -14.1856 -14.1856 -5.9081 -5.9081 -5.6970 -5.6970 -5.6293 -5.6293 -1.3006 -1.3006 0.3624 0.3624 0.5289 0.5289 6.1441 6.1441 6.7525 6.7525 6.8562 6.8562 7.4090 7.4090 7.8462 7.8462 8.0426 8.0426 9.8129 9.8129 10.0467 10.0467 10.1733 10.1733 14.3368 14.3368 14.4293 14.4293 14.5019 14.5019 17.0386 17.0386 k =-0.3661 0.3649 0.5043 ( 2748 PWs) bands (ev): -46.0858 -46.0858 -22.8229 -22.8229 -22.1784 -22.1784 -22.1640 -22.1640 -14.1827 -14.1827 -5.8819 -5.8819 -5.6927 -5.6927 -5.6252 -5.6252 -1.3228 -1.3228 0.3397 0.3397 0.4915 0.4915 6.1265 6.1265 6.7254 6.7254 6.8244 6.8244 7.4413 7.4413 7.8580 7.8580 8.0455 8.0455 9.8552 9.8552 10.0713 10.0713 10.1927 10.1927 14.3701 14.3701 14.4479 14.4479 14.5216 14.5216 17.0564 17.0564 k =-0.3750 0.3738 0.5043 ( 2748 PWs) bands (ev): -46.0857 -46.0857 -22.8235 -22.8235 -22.1794 -22.1794 -22.1642 -22.1642 -14.1800 -14.1800 -5.8569 -5.8569 -5.6886 -5.6886 -5.6210 -5.6210 -1.3444 -1.3444 0.3181 0.3181 0.4552 0.4552 6.1079 6.1079 6.7013 6.7013 6.7941 6.7941 7.4712 7.4712 7.8724 7.8724 8.0487 8.0487 9.8963 9.8963 10.0957 10.0957 10.2106 10.2106 14.4017 14.4017 14.4658 14.4658 14.5405 14.5405 17.0662 17.0662 k =-0.3839 0.3827 0.5043 ( 2744 PWs) bands (ev): -46.0857 -46.0857 -22.8240 -22.8240 -22.1803 -22.1803 -22.1644 -22.1644 -14.1775 -14.1775 -5.8330 -5.8330 -5.6846 -5.6846 -5.6167 -5.6167 -1.3651 -1.3651 0.2976 0.2976 0.4205 0.4205 6.0886 6.0886 6.6801 6.6801 6.7655 6.7655 7.4982 7.4982 7.8892 7.8892 8.0522 8.0522 9.9360 9.9360 10.1197 10.1197 10.2272 10.2272 14.4313 14.4313 14.4831 14.4831 14.5587 14.5587 17.0687 17.0687 k =-0.3929 0.3916 0.5043 ( 2744 PWs) bands (ev): -46.0856 -46.0856 -22.8245 -22.8245 -22.1811 -22.1811 -22.1646 -22.1646 -14.1751 -14.1751 -5.8104 -5.8104 -5.6808 -5.6808 -5.6123 -5.6123 -1.3849 -1.3849 0.2784 0.2784 0.3875 0.3875 6.0689 6.0689 6.6617 6.6617 6.7387 6.7387 7.5222 7.5222 7.9081 7.9081 8.0559 8.0559 9.9741 9.9741 10.1431 10.1431 10.2423 10.2423 14.4590 14.4590 14.4996 14.4996 14.5759 14.5759 17.0650 17.0650 k =-0.4018 0.4006 0.5043 ( 2744 PWs) bands (ev): -46.0856 -46.0856 -22.8249 -22.8249 -22.1819 -22.1819 -22.1648 -22.1648 -14.1728 -14.1728 -5.7893 -5.7893 -5.6773 -5.6773 -5.6080 -5.6080 -1.4037 -1.4037 0.2604 0.2604 0.3565 0.3565 6.0492 6.0492 6.6459 6.6459 6.7137 6.7137 7.5429 7.5429 7.9287 7.9287 8.0597 8.0597 10.0102 10.0102 10.1658 10.1658 10.2561 10.2561 14.4847 14.4847 14.5152 14.5152 14.5922 14.5922 17.0564 17.0564 k =-0.4107 0.4095 0.5043 ( 2744 PWs) bands (ev): -46.0856 -46.0856 -22.8254 -22.8254 -22.1827 -22.1827 -22.1650 -22.1650 -14.1708 -14.1708 -5.7697 -5.7696 -5.6740 -5.6740 -5.6037 -5.6037 -1.4213 -1.4213 0.2437 0.2437 0.3276 0.3276 6.0299 6.0299 6.6323 6.6323 6.6906 6.6906 7.5607 7.5607 7.9503 7.9503 8.0634 8.0634 10.0441 10.0441 10.1876 10.1876 10.2685 10.2685 14.5083 14.5083 14.5299 14.5299 14.6073 14.6073 17.0442 17.0442 k =-0.4196 0.4184 0.5043 ( 2748 PWs) bands (ev): -46.0856 -46.0856 -22.8258 -22.8258 -22.1834 -22.1834 -22.1652 -22.1652 -14.1689 -14.1689 -5.7517 -5.7517 -5.6708 -5.6708 -5.5996 -5.5996 -1.4377 -1.4377 0.2284 0.2284 0.3010 0.3010 6.0112 6.0112 6.6209 6.6209 6.6696 6.6696 7.5756 7.5756 7.9723 7.9723 8.0670 8.0670 10.0756 10.0756 10.2084 10.2084 10.2797 10.2797 14.5295 14.5295 14.5439 14.5439 14.6212 14.6212 17.0296 17.0296 k =-0.4286 0.4273 0.5043 ( 2752 PWs) bands (ev): -46.0855 -46.0855 -22.8261 -22.8261 -22.1840 -22.1840 -22.1654 -22.1654 -14.1672 -14.1672 -5.7354 -5.7354 -5.6679 -5.6679 -5.5957 -5.5957 -1.4527 -1.4527 0.2145 0.2145 0.2769 0.2769 5.9936 5.9936 6.6113 6.6113 6.6505 6.6505 7.5881 7.5881 7.9940 7.9940 8.0704 8.0704 10.1044 10.1044 10.2278 10.2278 10.2896 10.2896 14.5477 14.5477 14.5575 14.5575 14.6339 14.6339 17.0139 17.0139 k =-0.4375 0.4362 0.5043 ( 2756 PWs) bands (ev): -46.0855 -46.0855 -22.8265 -22.8265 -22.1846 -22.1846 -22.1655 -22.1655 -14.1657 -14.1657 -5.7210 -5.7210 -5.6652 -5.6652 -5.5920 -5.5920 -1.4662 -1.4662 0.2019 0.2019 0.2555 0.2555 5.9773 5.9773 6.6033 6.6033 6.6337 6.6337 7.5984 7.5984 8.0146 8.0146 8.0737 8.0737 10.1304 10.1304 10.2456 10.2456 10.2984 10.2984 14.5621 14.5621 14.5716 14.5716 14.6453 14.6453 16.9979 16.9979 k =-0.4464 0.4451 0.5043 ( 2772 PWs) bands (ev): -46.0855 -46.0855 -22.8268 -22.8268 -22.1851 -22.1851 -22.1657 -22.1657 -14.1644 -14.1644 -5.7085 -5.7085 -5.6627 -5.6627 -5.5888 -5.5888 -1.4781 -1.4781 0.1907 0.1907 0.2369 0.2369 5.9627 5.9627 6.5967 6.5967 6.6189 6.6189 7.6068 7.6068 8.0336 8.0336 8.0766 8.0766 10.1533 10.1533 10.2616 10.2616 10.3059 10.3059 14.5731 14.5731 14.5856 14.5856 14.6552 14.6552 16.9826 16.9826 k =-0.4554 0.4540 0.5043 ( 2788 PWs) bands (ev): -46.0855 -46.0855 -22.8271 -22.8271 -22.1856 -22.1856 -22.1658 -22.1658 -14.1633 -14.1633 -5.6980 -5.6980 -5.6604 -5.6604 -5.5859 -5.5859 -1.4883 -1.4883 0.1810 0.1810 0.2212 0.2212 5.9500 5.9500 6.5914 6.5914 6.6064 6.6064 7.6135 7.6135 8.0505 8.0505 8.0793 8.0793 10.1731 10.1731 10.2756 10.2756 10.3123 10.3123 14.5819 14.5819 14.5981 14.5981 14.6638 14.6638 16.9685 16.9685 k =-0.4643 0.4629 0.5043 ( 2788 PWs) bands (ev): -46.0855 -46.0855 -22.8273 -22.8273 -22.1859 -22.1859 -22.1659 -22.1659 -14.1624 -14.1624 -5.6896 -5.6896 -5.6582 -5.6582 -5.5834 -5.5834 -1.4968 -1.4968 0.1727 0.1727 0.2085 0.2085 5.9393 5.9393 6.5873 6.5873 6.5961 6.5961 7.6188 7.6188 8.0646 8.0646 8.0818 8.0818 10.1894 10.1894 10.2873 10.2873 10.3176 10.3176 14.5890 14.5890 14.6086 14.6086 14.6708 14.6708 16.9563 16.9563 k =-0.4732 0.4718 0.5043 ( 2792 PWs) bands (ev): -46.0855 -46.0855 -22.8275 -22.8275 -22.1862 -22.1862 -22.1660 -22.1660 -14.1617 -14.1617 -5.6833 -5.6833 -5.6563 -5.6563 -5.5815 -5.5815 -1.5035 -1.5035 0.1661 0.1661 0.1987 0.1987 5.9308 5.9308 6.5842 6.5842 6.5880 6.5880 7.6227 7.6227 8.0751 8.0751 8.0845 8.0845 10.2022 10.2022 10.2966 10.2966 10.3218 10.3218 14.5945 14.5945 14.6169 14.6169 14.6763 14.6763 16.9463 16.9463 k =-0.4821 0.4807 0.5043 ( 2788 PWs) bands (ev): -46.0855 -46.0855 -22.8276 -22.8276 -22.1864 -22.1864 -22.1660 -22.1660 -14.1612 -14.1612 -5.6790 -5.6790 -5.6546 -5.6546 -5.5801 -5.5801 -1.5083 -1.5083 0.1611 0.1611 0.1919 0.1919 5.9247 5.9247 6.5819 6.5819 6.5824 6.5824 7.6255 7.6255 8.0808 8.0808 8.0885 8.0885 10.2115 10.2115 10.3033 10.3033 10.3249 10.3249 14.5985 14.5985 14.6228 14.6228 14.6803 14.6803 16.9390 16.9390 k =-0.4911 0.4896 0.5043 ( 2784 PWs) bands (ev): -46.0855 -46.0855 -22.8276 -22.8276 -22.1865 -22.1865 -22.1660 -22.1660 -14.1609 -14.1609 -5.6766 -5.6766 -5.6535 -5.6535 -5.5792 -5.5792 -1.5112 -1.5112 0.1581 0.1581 0.1879 0.1879 5.9209 5.9209 6.5788 6.5788 6.5808 6.5808 7.6271 7.6271 8.0827 8.0827 8.0924 8.0924 10.2171 10.2171 10.3072 10.3072 10.3268 10.3268 14.6009 14.6009 14.6264 14.6264 14.6826 14.6826 16.9344 16.9344 k =-0.5000 0.4985 0.5043 ( 2784 PWs) bands (ev): -46.0855 -46.0855 -22.8276 -22.8276 -22.1865 -22.1865 -22.1661 -22.1661 -14.1608 -14.1608 -5.6758 -5.6758 -5.6531 -5.6531 -5.5789 -5.5789 -1.5121 -1.5121 0.1571 0.1571 0.1865 0.1865 5.9197 5.9197 6.5776 6.5776 6.5804 6.5804 7.6277 7.6277 8.0832 8.0832 8.0939 8.0939 10.2189 10.2189 10.3086 10.3086 10.3275 10.3275 14.6017 14.6017 14.6276 14.6276 14.6834 14.6834 16.9329 16.9329 Writing output data file BaTiO3.save init_run : 2.46s CPU 13.52s WALL ( 1 calls) electrons : 742.75s CPU 751.80s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.41s CPU 1.50s WALL ( 1 calls) Called by electrons: c_bands : 742.72s CPU 751.58s WALL ( 1 calls) v_of_rho : 0.09s CPU 0.87s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.07s CPU 0.60s WALL ( 1 calls) newd : 0.43s CPU 0.67s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.20s WALL ( 476 calls) cegterg : 711.71s CPU 717.75s WALL ( 1262 calls) Called by sum_band: Called by *egterg: h_psi : 265.64s CPU 277.34s WALL ( 21423 calls) s_psi : 31.00s CPU 31.58s WALL ( 21423 calls) g_psi : 0.65s CPU 0.72s WALL ( 19685 calls) cdiaghg : 308.63s CPU 303.76s WALL ( 20161 calls) cegterg:over : 61.81s CPU 58.42s WALL ( 19685 calls) cegterg:upda : 8.13s CPU 12.24s WALL ( 19685 calls) cegterg:last : 8.27s CPU 9.50s WALL ( 3175 calls) Called by h_psi: h_psi:vloc : 204.82s CPU 215.23s WALL ( 21423 calls) h_psi:vnl : 60.57s CPU 61.34s WALL ( 21423 calls) add_vuspsi : 18.73s CPU 23.07s WALL ( 21423 calls) General routines calbec : 41.77s CPU 38.09s WALL ( 21423 calls) fft : 0.25s CPU 1.13s WALL ( 19 calls) ffts : 0.07s CPU 0.09s WALL ( 4 calls) fftw : 189.71s CPU 196.88s WALL ( 1769672 calls) interpolate : 0.15s CPU 0.21s WALL ( 4 calls) davcio : 0.03s CPU 1.20s WALL ( 952 calls) Parallel routines fft_scatter : 134.81s CPU 139.24s WALL ( 1769695 calls) PWSCF : 13m24.37s CPU 15m17.82s WALL This run was terminated on: 16:17:56 11Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=