Program PWSCF v.5.1.1 starts on 9Oct2015 at 20:39:30 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 2084 447 74 Max 55 20 7 2088 466 80 Sum 2593 945 293 100129 21791 3703 bravais-lattice index = 14 lattice parameter (alat) = 7.5230 a.u. unit-cell volume = 428.8068 (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)= 7.523029 celldm(2)= 1.000000 celldm(3)= 1.007130 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.003055 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.003055 0.999995 0.000000 ) a(3) = ( 0.000000 0.000000 1.007130 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.003055 -0.000000 ) b(2) = ( 0.000000 1.000005 -0.000000 ) b(3) = ( 0.000000 0.000000 0.992921 ) 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= 478 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 2) = ( 0.0089014 0.0089286 -0.0000000), wk = 0.0020921 k( 3) = ( 0.0178027 0.0178572 -0.0000000), wk = 0.0020921 k( 4) = ( 0.0267041 0.0267858 -0.0000000), wk = 0.0020921 k( 5) = ( 0.0356055 0.0357145 -0.0000000), wk = 0.0020921 k( 6) = ( 0.0445069 0.0446431 -0.0000000), wk = 0.0020921 k( 7) = ( 0.0534083 0.0535717 -0.0000000), wk = 0.0020921 k( 8) = ( 0.0623096 0.0625003 -0.0000000), wk = 0.0020921 k( 9) = ( 0.0712110 0.0714289 -0.0000000), wk = 0.0020921 k( 10) = ( 0.0801124 0.0803575 -0.0000000), wk = 0.0020921 k( 11) = ( 0.0890138 0.0892861 -0.0000000), wk = 0.0020921 k( 12) = ( 0.0979152 0.0982147 -0.0000000), wk = 0.0020921 k( 13) = ( 0.1068165 0.1071434 -0.0000000), wk = 0.0020921 k( 14) = ( 0.1157179 0.1160720 -0.0000000), wk = 0.0020921 k( 15) = ( 0.1246193 0.1250006 -0.0000000), wk = 0.0020921 k( 16) = ( 0.1335207 0.1339292 -0.0000000), wk = 0.0020921 k( 17) = ( 0.1424220 0.1428578 -0.0000000), wk = 0.0020921 k( 18) = ( 0.1513234 0.1517864 -0.0000000), wk = 0.0020921 k( 19) = ( 0.1602248 0.1607150 -0.0000000), wk = 0.0020921 k( 20) = ( 0.1691262 0.1696437 -0.0000000), wk = 0.0020921 k( 21) = ( 0.1780275 0.1785723 -0.0000000), wk = 0.0020921 k( 22) = ( 0.1869289 0.1875009 -0.0000000), wk = 0.0020921 k( 23) = ( 0.1958303 0.1964295 -0.0000000), wk = 0.0020921 k( 24) = ( 0.2047317 0.2053581 -0.0000000), wk = 0.0020921 k( 25) = ( 0.2136330 0.2142867 -0.0000000), wk = 0.0020921 k( 26) = ( 0.2225344 0.2232153 -0.0000000), wk = 0.0020921 k( 27) = ( 0.2314358 0.2321439 -0.0000000), wk = 0.0020921 k( 28) = ( 0.2403372 0.2410726 -0.0000000), wk = 0.0020921 k( 29) = ( 0.2492386 0.2500012 -0.0000000), wk = 0.0020921 k( 30) = ( 0.2581399 0.2589298 -0.0000000), wk = 0.0020921 k( 31) = ( 0.2670413 0.2678584 -0.0000000), wk = 0.0020921 k( 32) = ( 0.2759427 0.2767870 -0.0000000), wk = 0.0020921 k( 33) = ( 0.2848441 0.2857156 -0.0000000), wk = 0.0020921 k( 34) = ( 0.2937455 0.2946442 -0.0000000), wk = 0.0020921 k( 35) = ( 0.3026468 0.3035728 -0.0000000), wk = 0.0020921 k( 36) = ( 0.3115482 0.3125015 -0.0000000), wk = 0.0020921 k( 37) = ( 0.3204496 0.3214301 -0.0000000), wk = 0.0020921 k( 38) = ( 0.3293510 0.3303587 -0.0000000), wk = 0.0020921 k( 39) = ( 0.3382523 0.3392873 -0.0000000), wk = 0.0020921 k( 40) = ( 0.3471537 0.3482159 -0.0000000), wk = 0.0020921 k( 41) = ( 0.3560551 0.3571445 -0.0000000), wk = 0.0020921 k( 42) = ( 0.3649565 0.3660731 -0.0000000), wk = 0.0020921 k( 43) = ( 0.3738578 0.3750017 -0.0000000), wk = 0.0020921 k( 44) = ( 0.3827592 0.3839304 -0.0000000), wk = 0.0020921 k( 45) = ( 0.3916606 0.3928590 -0.0000000), wk = 0.0020921 k( 46) = ( 0.4005620 0.4017876 -0.0000000), wk = 0.0020921 k( 47) = ( 0.4094634 0.4107162 -0.0000000), wk = 0.0020921 k( 48) = ( 0.4183647 0.4196448 -0.0000000), wk = 0.0020921 k( 49) = ( 0.4272661 0.4285734 -0.0000000), wk = 0.0020921 k( 50) = ( 0.4361675 0.4375020 -0.0000000), wk = 0.0020921 k( 51) = ( 0.4450689 0.4464307 -0.0000000), wk = 0.0020921 k( 52) = ( 0.4539702 0.4553593 -0.0000000), wk = 0.0020921 k( 53) = ( 0.4628716 0.4642879 -0.0000000), wk = 0.0020921 k( 54) = ( 0.4717730 0.4732165 -0.0000000), wk = 0.0020921 k( 55) = ( 0.4806744 0.4821451 -0.0000000), wk = 0.0020921 k( 56) = ( 0.4895757 0.4910737 -0.0000000), wk = 0.0020921 k( 57) = ( 0.4984771 0.5000023 -0.0000000), wk = 0.0020921 k( 58) = ( 0.4984771 0.5000023 -0.0000000), wk = 0.0020921 k( 59) = ( 0.4860152 0.5000023 -0.0000000), wk = 0.0020921 k( 60) = ( 0.4735533 0.5000023 -0.0000000), wk = 0.0020921 k( 61) = ( 0.4610913 0.5000023 -0.0000000), wk = 0.0020921 k( 62) = ( 0.4486294 0.5000023 -0.0000000), wk = 0.0020921 k( 63) = ( 0.4361675 0.5000023 -0.0000000), wk = 0.0020921 k( 64) = ( 0.4237056 0.5000023 -0.0000000), wk = 0.0020921 k( 65) = ( 0.4112436 0.5000023 -0.0000000), wk = 0.0020921 k( 66) = ( 0.3987817 0.5000023 -0.0000000), wk = 0.0020921 k( 67) = ( 0.3863198 0.5000023 -0.0000000), wk = 0.0020921 k( 68) = ( 0.3738578 0.5000023 -0.0000000), wk = 0.0020921 k( 69) = ( 0.3613959 0.5000023 -0.0000000), wk = 0.0020921 k( 70) = ( 0.3489340 0.5000023 -0.0000000), wk = 0.0020921 k( 71) = ( 0.3364721 0.5000023 -0.0000000), wk = 0.0020921 k( 72) = ( 0.3240101 0.5000023 -0.0000000), wk = 0.0020921 k( 73) = ( 0.3115482 0.5000023 -0.0000000), wk = 0.0020921 k( 74) = ( 0.2990863 0.5000023 -0.0000000), wk = 0.0020921 k( 75) = ( 0.2866244 0.5000023 -0.0000000), wk = 0.0020921 k( 76) = ( 0.2741624 0.5000023 -0.0000000), wk = 0.0020921 k( 77) = ( 0.2617005 0.5000023 -0.0000000), wk = 0.0020921 k( 78) = ( 0.2492386 0.5000023 -0.0000000), wk = 0.0020921 k( 79) = ( 0.2367766 0.5000023 -0.0000000), wk = 0.0020921 k( 80) = ( 0.2243147 0.5000023 -0.0000000), wk = 0.0020921 k( 81) = ( 0.2118528 0.5000023 -0.0000000), wk = 0.0020921 k( 82) = ( 0.1993909 0.5000023 -0.0000000), wk = 0.0020921 k( 83) = ( 0.1869289 0.5000023 -0.0000000), wk = 0.0020921 k( 84) = ( 0.1744670 0.5000023 -0.0000000), wk = 0.0020921 k( 85) = ( 0.1620051 0.5000023 -0.0000000), wk = 0.0020921 k( 86) = ( 0.1495431 0.5000023 -0.0000000), wk = 0.0020921 k( 87) = ( 0.1370812 0.5000023 -0.0000000), wk = 0.0020921 k( 88) = ( 0.1246193 0.5000023 -0.0000000), wk = 0.0020921 k( 89) = ( 0.1121574 0.5000023 -0.0000000), wk = 0.0020921 k( 90) = ( 0.0996954 0.5000023 -0.0000000), wk = 0.0020921 k( 91) = ( 0.0872335 0.5000023 -0.0000000), wk = 0.0020921 k( 92) = ( 0.0747716 0.5000023 -0.0000000), wk = 0.0020921 k( 93) = ( 0.0623096 0.5000023 -0.0000000), wk = 0.0020921 k( 94) = ( 0.0498477 0.5000023 -0.0000000), wk = 0.0020921 k( 95) = ( 0.0373858 0.5000023 -0.0000000), wk = 0.0020921 k( 96) = ( 0.0249239 0.5000023 -0.0000000), wk = 0.0020921 k( 97) = ( 0.0124619 0.5000023 -0.0000000), wk = 0.0020921 k( 98) = ( 0.0000000 0.5000023 -0.0000000), wk = 0.0020921 k( 99) = ( 0.0000000 0.5000023 -0.0000000), wk = 0.0020921 k( 100) = ( 0.0000000 0.5000023 0.0124115), wk = 0.0020921 k( 101) = ( 0.0000000 0.5000023 0.0248230), wk = 0.0020921 k( 102) = ( 0.0000000 0.5000023 0.0372345), wk = 0.0020921 k( 103) = ( 0.0000000 0.5000023 0.0496460), wk = 0.0020921 k( 104) = ( 0.0000000 0.5000023 0.0620575), wk = 0.0020921 k( 105) = ( 0.0000000 0.5000023 0.0744690), wk = 0.0020921 k( 106) = ( 0.0000000 0.5000023 0.0868806), wk = 0.0020921 k( 107) = ( 0.0000000 0.5000023 0.0992921), wk = 0.0020921 k( 108) = ( 0.0000000 0.5000023 0.1117036), wk = 0.0020921 k( 109) = ( 0.0000000 0.5000023 0.1241151), wk = 0.0020921 k( 110) = ( 0.0000000 0.5000023 0.1365266), wk = 0.0020921 k( 111) = ( 0.0000000 0.5000023 0.1489381), wk = 0.0020921 k( 112) = ( 0.0000000 0.5000023 0.1613496), wk = 0.0020921 k( 113) = ( 0.0000000 0.5000023 0.1737611), wk = 0.0020921 k( 114) = ( 0.0000000 0.5000023 0.1861726), wk = 0.0020921 k( 115) = ( 0.0000000 0.5000023 0.1985841), wk = 0.0020921 k( 116) = ( 0.0000000 0.5000023 0.2109956), wk = 0.0020921 k( 117) = ( 0.0000000 0.5000023 0.2234071), wk = 0.0020921 k( 118) = ( 0.0000000 0.5000023 0.2358186), wk = 0.0020921 k( 119) = ( 0.0000000 0.5000023 0.2482301), wk = 0.0020921 k( 120) = ( 0.0000000 0.5000023 0.2606417), wk = 0.0020921 k( 121) = ( 0.0000000 0.5000023 0.2730532), wk = 0.0020921 k( 122) = ( 0.0000000 0.5000023 0.2854647), wk = 0.0020921 k( 123) = ( 0.0000000 0.5000023 0.2978762), wk = 0.0020921 k( 124) = ( 0.0000000 0.5000023 0.3102877), wk = 0.0020921 k( 125) = ( 0.0000000 0.5000023 0.3226992), wk = 0.0020921 k( 126) = ( 0.0000000 0.5000023 0.3351107), wk = 0.0020921 k( 127) = ( 0.0000000 0.5000023 0.3475222), wk = 0.0020921 k( 128) = ( 0.0000000 0.5000023 0.3599337), wk = 0.0020921 k( 129) = ( 0.0000000 0.5000023 0.3723452), wk = 0.0020921 k( 130) = ( 0.0000000 0.5000023 0.3847567), wk = 0.0020921 k( 131) = ( 0.0000000 0.5000023 0.3971682), wk = 0.0020921 k( 132) = ( 0.0000000 0.5000023 0.4095797), wk = 0.0020921 k( 133) = ( 0.0000000 0.5000023 0.4219913), wk = 0.0020921 k( 134) = ( 0.0000000 0.5000023 0.4344028), wk = 0.0020921 k( 135) = ( 0.0000000 0.5000023 0.4468143), wk = 0.0020921 k( 136) = ( 0.0000000 0.5000023 0.4592258), wk = 0.0020921 k( 137) = ( 0.0000000 0.5000023 0.4716373), wk = 0.0020921 k( 138) = ( 0.0000000 0.5000023 0.4840488), wk = 0.0020921 k( 139) = ( 0.0000000 0.5000023 0.4964603), wk = 0.0020921 k( 140) = ( 0.0000000 0.5000023 0.4964603), wk = 0.0020921 k( 141) = ( 0.0124619 0.5000023 0.4964603), wk = 0.0020921 k( 142) = ( 0.0249239 0.5000023 0.4964603), wk = 0.0020921 k( 143) = ( 0.0373858 0.5000023 0.4964603), wk = 0.0020921 k( 144) = ( 0.0498477 0.5000023 0.4964603), wk = 0.0020921 k( 145) = ( 0.0623096 0.5000023 0.4964603), wk = 0.0020921 k( 146) = ( 0.0747716 0.5000023 0.4964603), wk = 0.0020921 k( 147) = ( 0.0872335 0.5000023 0.4964603), wk = 0.0020921 k( 148) = ( 0.0996954 0.5000023 0.4964603), wk = 0.0020921 k( 149) = ( 0.1121574 0.5000023 0.4964603), wk = 0.0020921 k( 150) = ( 0.1246193 0.5000023 0.4964603), wk = 0.0020921 k( 151) = ( 0.1370812 0.5000023 0.4964603), wk = 0.0020921 k( 152) = ( 0.1495431 0.5000023 0.4964603), wk = 0.0020921 k( 153) = ( 0.1620051 0.5000023 0.4964603), wk = 0.0020921 k( 154) = ( 0.1744670 0.5000023 0.4964603), wk = 0.0020921 k( 155) = ( 0.1869289 0.5000023 0.4964603), wk = 0.0020921 k( 156) = ( 0.1993909 0.5000023 0.4964603), wk = 0.0020921 k( 157) = ( 0.2118528 0.5000023 0.4964603), wk = 0.0020921 k( 158) = ( 0.2243147 0.5000023 0.4964603), wk = 0.0020921 k( 159) = ( 0.2367766 0.5000023 0.4964603), wk = 0.0020921 k( 160) = ( 0.2492386 0.5000023 0.4964603), wk = 0.0020921 k( 161) = ( 0.2617005 0.5000023 0.4964603), wk = 0.0020921 k( 162) = ( 0.2741624 0.5000023 0.4964603), wk = 0.0020921 k( 163) = ( 0.2866244 0.5000023 0.4964603), wk = 0.0020921 k( 164) = ( 0.2990863 0.5000023 0.4964603), wk = 0.0020921 k( 165) = ( 0.3115482 0.5000023 0.4964603), wk = 0.0020921 k( 166) = ( 0.3240101 0.5000023 0.4964603), wk = 0.0020921 k( 167) = ( 0.3364721 0.5000023 0.4964603), wk = 0.0020921 k( 168) = ( 0.3489340 0.5000023 0.4964603), wk = 0.0020921 k( 169) = ( 0.3613959 0.5000023 0.4964603), wk = 0.0020921 k( 170) = ( 0.3738578 0.5000023 0.4964603), wk = 0.0020921 k( 171) = ( 0.3863198 0.5000023 0.4964603), wk = 0.0020921 k( 172) = ( 0.3987817 0.5000023 0.4964603), wk = 0.0020921 k( 173) = ( 0.4112436 0.5000023 0.4964603), wk = 0.0020921 k( 174) = ( 0.4237056 0.5000023 0.4964603), wk = 0.0020921 k( 175) = ( 0.4361675 0.5000023 0.4964603), wk = 0.0020921 k( 176) = ( 0.4486294 0.5000023 0.4964603), wk = 0.0020921 k( 177) = ( 0.4610913 0.5000023 0.4964603), wk = 0.0020921 k( 178) = ( 0.4735533 0.5000023 0.4964603), wk = 0.0020921 k( 179) = ( 0.4860152 0.5000023 0.4964603), wk = 0.0020921 k( 180) = ( 0.4984771 0.5000023 0.4964603), wk = 0.0020921 k( 181) = ( 0.4984771 0.5000023 0.4964603), wk = 0.0020921 k( 182) = ( 0.4895757 0.4910737 0.4964603), wk = 0.0020921 k( 183) = ( 0.4806744 0.4821451 0.4964603), wk = 0.0020921 k( 184) = ( 0.4717730 0.4732165 0.4964603), wk = 0.0020921 k( 185) = ( 0.4628716 0.4642879 0.4964603), wk = 0.0020921 k( 186) = ( 0.4539702 0.4553593 0.4964603), wk = 0.0020921 k( 187) = ( 0.4450689 0.4464307 0.4964603), wk = 0.0020921 k( 188) = ( 0.4361675 0.4375020 0.4964603), wk = 0.0020921 k( 189) = ( 0.4272661 0.4285734 0.4964603), wk = 0.0020921 k( 190) = ( 0.4183647 0.4196448 0.4964603), wk = 0.0020921 k( 191) = ( 0.4094634 0.4107162 0.4964603), wk = 0.0020921 k( 192) = ( 0.4005620 0.4017876 0.4964603), wk = 0.0020921 k( 193) = ( 0.3916606 0.3928590 0.4964603), wk = 0.0020921 k( 194) = ( 0.3827592 0.3839304 0.4964603), wk = 0.0020921 k( 195) = ( 0.3738578 0.3750017 0.4964603), wk = 0.0020921 k( 196) = ( 0.3649565 0.3660731 0.4964603), wk = 0.0020921 k( 197) = ( 0.3560551 0.3571445 0.4964603), wk = 0.0020921 k( 198) = ( 0.3471537 0.3482159 0.4964603), wk = 0.0020921 k( 199) = ( 0.3382523 0.3392873 0.4964603), wk = 0.0020921 k( 200) = ( 0.3293510 0.3303587 0.4964603), wk = 0.0020921 k( 201) = ( 0.3204496 0.3214301 0.4964603), wk = 0.0020921 k( 202) = ( 0.3115482 0.3125015 0.4964603), wk = 0.0020921 k( 203) = ( 0.3026468 0.3035728 0.4964603), wk = 0.0020921 k( 204) = ( 0.2937455 0.2946442 0.4964603), wk = 0.0020921 k( 205) = ( 0.2848441 0.2857156 0.4964603), wk = 0.0020921 k( 206) = ( 0.2759427 0.2767870 0.4964603), wk = 0.0020921 k( 207) = ( 0.2670413 0.2678584 0.4964603), wk = 0.0020921 k( 208) = ( 0.2581399 0.2589298 0.4964603), wk = 0.0020921 k( 209) = ( 0.2492386 0.2500012 0.4964603), wk = 0.0020921 k( 210) = ( 0.2403372 0.2410726 0.4964603), wk = 0.0020921 k( 211) = ( 0.2314358 0.2321439 0.4964603), wk = 0.0020921 k( 212) = ( 0.2225344 0.2232153 0.4964603), wk = 0.0020921 k( 213) = ( 0.2136330 0.2142867 0.4964603), wk = 0.0020921 k( 214) = ( 0.2047317 0.2053581 0.4964603), wk = 0.0020921 k( 215) = ( 0.1958303 0.1964295 0.4964603), wk = 0.0020921 k( 216) = ( 0.1869289 0.1875009 0.4964603), wk = 0.0020921 k( 217) = ( 0.1780275 0.1785723 0.4964603), wk = 0.0020921 k( 218) = ( 0.1691262 0.1696437 0.4964603), wk = 0.0020921 k( 219) = ( 0.1602248 0.1607150 0.4964603), wk = 0.0020921 k( 220) = ( 0.1513234 0.1517864 0.4964603), wk = 0.0020921 k( 221) = ( 0.1424220 0.1428578 0.4964603), wk = 0.0020921 k( 222) = ( 0.1335207 0.1339292 0.4964603), wk = 0.0020921 k( 223) = ( 0.1246193 0.1250006 0.4964603), wk = 0.0020921 k( 224) = ( 0.1157179 0.1160720 0.4964603), wk = 0.0020921 k( 225) = ( 0.1068165 0.1071434 0.4964603), wk = 0.0020921 k( 226) = ( 0.0979152 0.0982147 0.4964603), wk = 0.0020921 k( 227) = ( 0.0890138 0.0892861 0.4964603), wk = 0.0020921 k( 228) = ( 0.0801124 0.0803575 0.4964603), wk = 0.0020921 k( 229) = ( 0.0712110 0.0714289 0.4964603), wk = 0.0020921 k( 230) = ( 0.0623096 0.0625003 0.4964603), wk = 0.0020921 k( 231) = ( 0.0534083 0.0535717 0.4964603), wk = 0.0020921 k( 232) = ( 0.0445069 0.0446431 0.4964603), wk = 0.0020921 k( 233) = ( 0.0356055 0.0357145 0.4964603), wk = 0.0020921 k( 234) = ( 0.0267041 0.0267858 0.4964603), wk = 0.0020921 k( 235) = ( 0.0178027 0.0178572 0.4964603), wk = 0.0020921 k( 236) = ( 0.0089014 0.0089286 0.4964603), wk = 0.0020921 k( 237) = ( 0.0000000 0.0000000 0.4964603), wk = 0.0020921 k( 238) = ( 0.0000000 0.0000000 0.4964603), wk = 0.0020921 k( 239) = ( 0.0000000 0.0000000 0.4840488), wk = 0.0020921 k( 240) = ( 0.0000000 0.0000000 0.4716373), wk = 0.0020921 k( 241) = ( 0.0000000 0.0000000 0.4592258), wk = 0.0020921 k( 242) = ( 0.0000000 0.0000000 0.4468143), wk = 0.0020921 k( 243) = ( 0.0000000 0.0000000 0.4344028), wk = 0.0020921 k( 244) = ( 0.0000000 0.0000000 0.4219913), wk = 0.0020921 k( 245) = ( 0.0000000 0.0000000 0.4095797), wk = 0.0020921 k( 246) = ( 0.0000000 0.0000000 0.3971682), wk = 0.0020921 k( 247) = ( 0.0000000 0.0000000 0.3847567), wk = 0.0020921 k( 248) = ( 0.0000000 0.0000000 0.3723452), wk = 0.0020921 k( 249) = ( 0.0000000 0.0000000 0.3599337), wk = 0.0020921 k( 250) = ( 0.0000000 0.0000000 0.3475222), wk = 0.0020921 k( 251) = ( 0.0000000 0.0000000 0.3351107), wk = 0.0020921 k( 252) = ( 0.0000000 0.0000000 0.3226992), wk = 0.0020921 k( 253) = ( 0.0000000 0.0000000 0.3102877), wk = 0.0020921 k( 254) = ( 0.0000000 0.0000000 0.2978762), wk = 0.0020921 k( 255) = ( 0.0000000 0.0000000 0.2854647), wk = 0.0020921 k( 256) = ( 0.0000000 0.0000000 0.2730532), wk = 0.0020921 k( 257) = ( 0.0000000 0.0000000 0.2606417), wk = 0.0020921 k( 258) = ( 0.0000000 0.0000000 0.2482301), wk = 0.0020921 k( 259) = ( 0.0000000 0.0000000 0.2358186), wk = 0.0020921 k( 260) = ( 0.0000000 0.0000000 0.2234071), wk = 0.0020921 k( 261) = ( 0.0000000 0.0000000 0.2109956), wk = 0.0020921 k( 262) = ( 0.0000000 0.0000000 0.1985841), wk = 0.0020921 k( 263) = ( 0.0000000 0.0000000 0.1861726), wk = 0.0020921 k( 264) = ( 0.0000000 0.0000000 0.1737611), wk = 0.0020921 k( 265) = ( 0.0000000 0.0000000 0.1613496), wk = 0.0020921 k( 266) = ( 0.0000000 0.0000000 0.1489381), wk = 0.0020921 k( 267) = ( 0.0000000 0.0000000 0.1365266), wk = 0.0020921 k( 268) = ( 0.0000000 0.0000000 0.1241151), wk = 0.0020921 k( 269) = ( 0.0000000 0.0000000 0.1117036), wk = 0.0020921 k( 270) = ( 0.0000000 0.0000000 0.0992921), wk = 0.0020921 k( 271) = ( 0.0000000 0.0000000 0.0868806), wk = 0.0020921 k( 272) = ( 0.0000000 0.0000000 0.0744690), wk = 0.0020921 k( 273) = ( 0.0000000 0.0000000 0.0620575), wk = 0.0020921 k( 274) = ( 0.0000000 0.0000000 0.0496460), wk = 0.0020921 k( 275) = ( 0.0000000 0.0000000 0.0372345), wk = 0.0020921 k( 276) = ( 0.0000000 0.0000000 0.0248230), wk = 0.0020921 k( 277) = ( 0.0000000 0.0000000 0.0124115), wk = 0.0020921 k( 278) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 279) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 280) = ( -0.0089286 0.0089013 0.0000000), wk = 0.0020921 k( 281) = ( -0.0178571 0.0178027 0.0000000), wk = 0.0020921 k( 282) = ( -0.0267857 0.0267040 0.0000000), wk = 0.0020921 k( 283) = ( -0.0357143 0.0356053 0.0000000), wk = 0.0020921 k( 284) = ( -0.0446429 0.0445067 0.0000000), wk = 0.0020921 k( 285) = ( -0.0535714 0.0534080 0.0000000), wk = 0.0020921 k( 286) = ( -0.0625000 0.0623093 0.0000000), wk = 0.0020921 k( 287) = ( -0.0714286 0.0712107 0.0000000), wk = 0.0020921 k( 288) = ( -0.0803571 0.0801120 0.0000000), wk = 0.0020921 k( 289) = ( -0.0892857 0.0890134 0.0000000), wk = 0.0020921 k( 290) = ( -0.0982143 0.0979147 0.0000000), wk = 0.0020921 k( 291) = ( -0.1071429 0.1068160 0.0000000), wk = 0.0020921 k( 292) = ( -0.1160714 0.1157174 0.0000000), wk = 0.0020921 k( 293) = ( -0.1250000 0.1246187 0.0000000), wk = 0.0020921 k( 294) = ( -0.1339286 0.1335200 0.0000000), wk = 0.0020921 k( 295) = ( -0.1428571 0.1424214 0.0000000), wk = 0.0020921 k( 296) = ( -0.1517857 0.1513227 0.0000000), wk = 0.0020921 k( 297) = ( -0.1607143 0.1602240 0.0000000), wk = 0.0020921 k( 298) = ( -0.1696429 0.1691254 0.0000000), wk = 0.0020921 k( 299) = ( -0.1785714 0.1780267 0.0000000), wk = 0.0020921 k( 300) = ( -0.1875000 0.1869280 0.0000000), wk = 0.0020921 k( 301) = ( -0.1964286 0.1958294 0.0000000), wk = 0.0020921 k( 302) = ( -0.2053571 0.2047307 0.0000000), wk = 0.0020921 k( 303) = ( -0.2142857 0.2136321 0.0000000), wk = 0.0020921 k( 304) = ( -0.2232143 0.2225334 0.0000000), wk = 0.0020921 k( 305) = ( -0.2321429 0.2314347 0.0000000), wk = 0.0020921 k( 306) = ( -0.2410714 0.2403361 0.0000000), wk = 0.0020921 k( 307) = ( -0.2500000 0.2492374 0.0000000), wk = 0.0020921 k( 308) = ( -0.2589286 0.2581387 0.0000000), wk = 0.0020921 k( 309) = ( -0.2678571 0.2670401 0.0000000), wk = 0.0020921 k( 310) = ( -0.2767857 0.2759414 0.0000000), wk = 0.0020921 k( 311) = ( -0.2857143 0.2848427 0.0000000), wk = 0.0020921 k( 312) = ( -0.2946429 0.2937441 0.0000000), wk = 0.0020921 k( 313) = ( -0.3035714 0.3026454 0.0000000), wk = 0.0020921 k( 314) = ( -0.3125000 0.3115467 0.0000000), wk = 0.0020921 k( 315) = ( -0.3214286 0.3204481 0.0000000), wk = 0.0020921 k( 316) = ( -0.3303571 0.3293494 0.0000000), wk = 0.0020921 k( 317) = ( -0.3392857 0.3382508 0.0000000), wk = 0.0020921 k( 318) = ( -0.3482143 0.3471521 0.0000000), wk = 0.0020921 k( 319) = ( -0.3571429 0.3560534 0.0000000), wk = 0.0020921 k( 320) = ( -0.3660714 0.3649548 0.0000000), wk = 0.0020921 k( 321) = ( -0.3750000 0.3738561 0.0000000), wk = 0.0020921 k( 322) = ( -0.3839286 0.3827574 0.0000000), wk = 0.0020921 k( 323) = ( -0.3928571 0.3916588 0.0000000), wk = 0.0020921 k( 324) = ( -0.4017857 0.4005601 0.0000000), wk = 0.0020921 k( 325) = ( -0.4107143 0.4094614 0.0000000), wk = 0.0020921 k( 326) = ( -0.4196429 0.4183628 0.0000000), wk = 0.0020921 k( 327) = ( -0.4285714 0.4272641 0.0000000), wk = 0.0020921 k( 328) = ( -0.4375000 0.4361654 0.0000000), wk = 0.0020921 k( 329) = ( -0.4464286 0.4450668 0.0000000), wk = 0.0020921 k( 330) = ( -0.4553571 0.4539681 0.0000000), wk = 0.0020921 k( 331) = ( -0.4642857 0.4628695 0.0000000), wk = 0.0020921 k( 332) = ( -0.4732143 0.4717708 0.0000000), wk = 0.0020921 k( 333) = ( -0.4821429 0.4806721 0.0000000), wk = 0.0020921 k( 334) = ( -0.4910714 0.4895735 0.0000000), wk = 0.0020921 k( 335) = ( -0.5000000 0.4984748 0.0000000), wk = 0.0020921 k( 336) = ( -0.5000000 0.4984748 0.0000000), wk = 0.0020921 k( 337) = ( -0.4984771 0.5000023 -0.0000000), wk = 0.0020921 k( 338) = ( -0.4984771 0.5000023 -0.0000000), wk = 0.0020921 k( 339) = ( -0.4984771 0.5000023 0.0124115), wk = 0.0020921 k( 340) = ( -0.4984771 0.5000023 0.0248230), wk = 0.0020921 k( 341) = ( -0.4984771 0.5000023 0.0372345), wk = 0.0020921 k( 342) = ( -0.4984771 0.5000023 0.0496460), wk = 0.0020921 k( 343) = ( -0.4984771 0.5000023 0.0620575), wk = 0.0020921 k( 344) = ( -0.4984771 0.5000023 0.0744690), wk = 0.0020921 k( 345) = ( -0.4984771 0.5000023 0.0868806), wk = 0.0020921 k( 346) = ( -0.4984771 0.5000023 0.0992921), wk = 0.0020921 k( 347) = ( -0.4984771 0.5000023 0.1117036), wk = 0.0020921 k( 348) = ( -0.4984771 0.5000023 0.1241151), wk = 0.0020921 k( 349) = ( -0.4984771 0.5000023 0.1365266), wk = 0.0020921 k( 350) = ( -0.4984771 0.5000023 0.1489381), wk = 0.0020921 k( 351) = ( -0.4984771 0.5000023 0.1613496), wk = 0.0020921 k( 352) = ( -0.4984771 0.5000023 0.1737611), wk = 0.0020921 k( 353) = ( -0.4984771 0.5000023 0.1861726), wk = 0.0020921 k( 354) = ( -0.4984771 0.5000023 0.1985841), wk = 0.0020921 k( 355) = ( -0.4984771 0.5000023 0.2109956), wk = 0.0020921 k( 356) = ( -0.4984771 0.5000023 0.2234071), wk = 0.0020921 k( 357) = ( -0.4984771 0.5000023 0.2358186), wk = 0.0020921 k( 358) = ( -0.4984771 0.5000023 0.2482301), wk = 0.0020921 k( 359) = ( -0.4984771 0.5000023 0.2606417), wk = 0.0020921 k( 360) = ( -0.4984771 0.5000023 0.2730532), wk = 0.0020921 k( 361) = ( -0.4984771 0.5000023 0.2854647), wk = 0.0020921 k( 362) = ( -0.4984771 0.5000023 0.2978762), wk = 0.0020921 k( 363) = ( -0.4984771 0.5000023 0.3102877), wk = 0.0020921 k( 364) = ( -0.4984771 0.5000023 0.3226992), wk = 0.0020921 k( 365) = ( -0.4984771 0.5000023 0.3351107), wk = 0.0020921 k( 366) = ( -0.4984771 0.5000023 0.3475222), wk = 0.0020921 k( 367) = ( -0.4984771 0.5000023 0.3599337), wk = 0.0020921 k( 368) = ( -0.4984771 0.5000023 0.3723452), wk = 0.0020921 k( 369) = ( -0.4984771 0.5000023 0.3847567), wk = 0.0020921 k( 370) = ( -0.4984771 0.5000023 0.3971682), wk = 0.0020921 k( 371) = ( -0.4984771 0.5000023 0.4095797), wk = 0.0020921 k( 372) = ( -0.4984771 0.5000023 0.4219913), wk = 0.0020921 k( 373) = ( -0.4984771 0.5000023 0.4344028), wk = 0.0020921 k( 374) = ( -0.4984771 0.5000023 0.4468143), wk = 0.0020921 k( 375) = ( -0.4984771 0.5000023 0.4592258), wk = 0.0020921 k( 376) = ( -0.4984771 0.5000023 0.4716373), wk = 0.0020921 k( 377) = ( -0.4984771 0.5000023 0.4840488), wk = 0.0020921 k( 378) = ( -0.4984771 0.5000023 0.4964603), wk = 0.0020921 k( 379) = ( -0.4984771 0.5000023 0.4964603), wk = 0.0020921 k( 380) = ( -0.5000000 0.4984748 0.4964603), wk = 0.0020921 k( 381) = ( -0.5000000 0.4984748 0.4964603), wk = 0.0020921 k( 382) = ( -0.5000000 0.4984748 0.4840488), wk = 0.0020921 k( 383) = ( -0.5000000 0.4984748 0.4716373), wk = 0.0020921 k( 384) = ( -0.5000000 0.4984748 0.4592258), wk = 0.0020921 k( 385) = ( -0.5000000 0.4984748 0.4468143), wk = 0.0020921 k( 386) = ( -0.5000000 0.4984748 0.4344028), wk = 0.0020921 k( 387) = ( -0.5000000 0.4984748 0.4219913), wk = 0.0020921 k( 388) = ( -0.5000000 0.4984748 0.4095797), wk = 0.0020921 k( 389) = ( -0.5000000 0.4984748 0.3971682), wk = 0.0020921 k( 390) = ( -0.5000000 0.4984748 0.3847567), wk = 0.0020921 k( 391) = ( -0.5000000 0.4984748 0.3723452), wk = 0.0020921 k( 392) = ( -0.5000000 0.4984748 0.3599337), wk = 0.0020921 k( 393) = ( -0.5000000 0.4984748 0.3475222), wk = 0.0020921 k( 394) = ( -0.5000000 0.4984748 0.3351107), wk = 0.0020921 k( 395) = ( -0.5000000 0.4984748 0.3226992), wk = 0.0020921 k( 396) = ( -0.5000000 0.4984748 0.3102877), wk = 0.0020921 k( 397) = ( -0.5000000 0.4984748 0.2978762), wk = 0.0020921 k( 398) = ( -0.5000000 0.4984748 0.2854647), wk = 0.0020921 k( 399) = ( -0.5000000 0.4984748 0.2730532), wk = 0.0020921 k( 400) = ( -0.5000000 0.4984748 0.2606417), wk = 0.0020921 k( 401) = ( -0.5000000 0.4984748 0.2482301), wk = 0.0020921 k( 402) = ( -0.5000000 0.4984748 0.2358186), wk = 0.0020921 k( 403) = ( -0.5000000 0.4984748 0.2234071), wk = 0.0020921 k( 404) = ( -0.5000000 0.4984748 0.2109956), wk = 0.0020921 k( 405) = ( -0.5000000 0.4984748 0.1985841), wk = 0.0020921 k( 406) = ( -0.5000000 0.4984748 0.1861726), wk = 0.0020921 k( 407) = ( -0.5000000 0.4984748 0.1737611), wk = 0.0020921 k( 408) = ( -0.5000000 0.4984748 0.1613496), wk = 0.0020921 k( 409) = ( -0.5000000 0.4984748 0.1489381), wk = 0.0020921 k( 410) = ( -0.5000000 0.4984748 0.1365266), wk = 0.0020921 k( 411) = ( -0.5000000 0.4984748 0.1241151), wk = 0.0020921 k( 412) = ( -0.5000000 0.4984748 0.1117036), wk = 0.0020921 k( 413) = ( -0.5000000 0.4984748 0.0992921), wk = 0.0020921 k( 414) = ( -0.5000000 0.4984748 0.0868806), wk = 0.0020921 k( 415) = ( -0.5000000 0.4984748 0.0744690), wk = 0.0020921 k( 416) = ( -0.5000000 0.4984748 0.0620575), wk = 0.0020921 k( 417) = ( -0.5000000 0.4984748 0.0496460), wk = 0.0020921 k( 418) = ( -0.5000000 0.4984748 0.0372345), wk = 0.0020921 k( 419) = ( -0.5000000 0.4984748 0.0248230), wk = 0.0020921 k( 420) = ( -0.5000000 0.4984748 0.0124115), wk = 0.0020921 k( 421) = ( -0.5000000 0.4984748 0.0000000), wk = 0.0020921 k( 422) = ( 0.0000000 0.0000000 0.4964603), wk = 0.0020921 k( 423) = ( -0.0089286 0.0089013 0.4964603), wk = 0.0020921 k( 424) = ( -0.0178571 0.0178027 0.4964603), wk = 0.0020921 k( 425) = ( -0.0267857 0.0267040 0.4964603), wk = 0.0020921 k( 426) = ( -0.0357143 0.0356053 0.4964603), wk = 0.0020921 k( 427) = ( -0.0446429 0.0445067 0.4964603), wk = 0.0020921 k( 428) = ( -0.0535714 0.0534080 0.4964603), wk = 0.0020921 k( 429) = ( -0.0625000 0.0623093 0.4964603), wk = 0.0020921 k( 430) = ( -0.0714286 0.0712107 0.4964603), wk = 0.0020921 k( 431) = ( -0.0803571 0.0801120 0.4964603), wk = 0.0020921 k( 432) = ( -0.0892857 0.0890134 0.4964603), wk = 0.0020921 k( 433) = ( -0.0982143 0.0979147 0.4964603), wk = 0.0020921 k( 434) = ( -0.1071429 0.1068160 0.4964603), wk = 0.0020921 k( 435) = ( -0.1160714 0.1157174 0.4964603), wk = 0.0020921 k( 436) = ( -0.1250000 0.1246187 0.4964603), wk = 0.0020921 k( 437) = ( -0.1339286 0.1335200 0.4964603), wk = 0.0020921 k( 438) = ( -0.1428571 0.1424214 0.4964603), wk = 0.0020921 k( 439) = ( -0.1517857 0.1513227 0.4964603), wk = 0.0020921 k( 440) = ( -0.1607143 0.1602240 0.4964603), wk = 0.0020921 k( 441) = ( -0.1696429 0.1691254 0.4964603), wk = 0.0020921 k( 442) = ( -0.1785714 0.1780267 0.4964603), wk = 0.0020921 k( 443) = ( -0.1875000 0.1869280 0.4964603), wk = 0.0020921 k( 444) = ( -0.1964286 0.1958294 0.4964603), wk = 0.0020921 k( 445) = ( -0.2053571 0.2047307 0.4964603), wk = 0.0020921 k( 446) = ( -0.2142857 0.2136321 0.4964603), wk = 0.0020921 k( 447) = ( -0.2232143 0.2225334 0.4964603), wk = 0.0020921 k( 448) = ( -0.2321429 0.2314347 0.4964603), wk = 0.0020921 k( 449) = ( -0.2410714 0.2403361 0.4964603), wk = 0.0020921 k( 450) = ( -0.2500000 0.2492374 0.4964603), wk = 0.0020921 k( 451) = ( -0.2589286 0.2581387 0.4964603), wk = 0.0020921 k( 452) = ( -0.2678571 0.2670401 0.4964603), wk = 0.0020921 k( 453) = ( -0.2767857 0.2759414 0.4964603), wk = 0.0020921 k( 454) = ( -0.2857143 0.2848427 0.4964603), wk = 0.0020921 k( 455) = ( -0.2946429 0.2937441 0.4964603), wk = 0.0020921 k( 456) = ( -0.3035714 0.3026454 0.4964603), wk = 0.0020921 k( 457) = ( -0.3125000 0.3115467 0.4964603), wk = 0.0020921 k( 458) = ( -0.3214286 0.3204481 0.4964603), wk = 0.0020921 k( 459) = ( -0.3303571 0.3293494 0.4964603), wk = 0.0020921 k( 460) = ( -0.3392857 0.3382508 0.4964603), wk = 0.0020921 k( 461) = ( -0.3482143 0.3471521 0.4964603), wk = 0.0020921 k( 462) = ( -0.3571429 0.3560534 0.4964603), wk = 0.0020921 k( 463) = ( -0.3660714 0.3649548 0.4964603), wk = 0.0020921 k( 464) = ( -0.3750000 0.3738561 0.4964603), wk = 0.0020921 k( 465) = ( -0.3839286 0.3827574 0.4964603), wk = 0.0020921 k( 466) = ( -0.3928571 0.3916588 0.4964603), wk = 0.0020921 k( 467) = ( -0.4017857 0.4005601 0.4964603), wk = 0.0020921 k( 468) = ( -0.4107143 0.4094614 0.4964603), wk = 0.0020921 k( 469) = ( -0.4196429 0.4183628 0.4964603), wk = 0.0020921 k( 470) = ( -0.4285714 0.4272641 0.4964603), wk = 0.0020921 k( 471) = ( -0.4375000 0.4361654 0.4964603), wk = 0.0020921 k( 472) = ( -0.4464286 0.4450668 0.4964603), wk = 0.0020921 k( 473) = ( -0.4553571 0.4539681 0.4964603), wk = 0.0020921 k( 474) = ( -0.4642857 0.4628695 0.4964603), wk = 0.0020921 k( 475) = ( -0.4732143 0.4717708 0.4964603), wk = 0.0020921 k( 476) = ( -0.4821429 0.4806721 0.4964603), wk = 0.0020921 k( 477) = ( -0.4910714 0.4895735 0.4964603), wk = 0.0020921 k( 478) = ( -0.5000000 0.4984748 0.4964603), wk = 0.0020921 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 2) = ( 0.0089014 0.0089014 -0.0000000), wk = 0.0020921 k( 3) = ( 0.0178027 0.0178027 0.0000000), wk = 0.0020921 k( 4) = ( 0.0267041 0.0267041 0.0000000), wk = 0.0020921 k( 5) = ( 0.0356055 0.0356055 0.0000000), wk = 0.0020921 k( 6) = ( 0.0445069 0.0445069 0.0000000), wk = 0.0020921 k( 7) = ( 0.0534083 0.0534083 0.0000000), wk = 0.0020921 k( 8) = ( 0.0623096 0.0623096 0.0000000), wk = 0.0020921 k( 9) = ( 0.0712110 0.0712110 0.0000000), wk = 0.0020921 k( 10) = ( 0.0801124 0.0801124 0.0000000), wk = 0.0020921 k( 11) = ( 0.0890138 0.0890138 0.0000000), wk = 0.0020921 k( 12) = ( 0.0979152 0.0979152 0.0000000), wk = 0.0020921 k( 13) = ( 0.1068165 0.1068165 0.0000000), wk = 0.0020921 k( 14) = ( 0.1157179 0.1157179 0.0000000), wk = 0.0020921 k( 15) = ( 0.1246193 0.1246193 0.0000000), wk = 0.0020921 k( 16) = ( 0.1335207 0.1335207 0.0000000), wk = 0.0020921 k( 17) = ( 0.1424220 0.1424220 0.0000000), wk = 0.0020921 k( 18) = ( 0.1513234 0.1513234 0.0000000), wk = 0.0020921 k( 19) = ( 0.1602248 0.1602248 0.0000000), wk = 0.0020921 k( 20) = ( 0.1691262 0.1691262 0.0000000), wk = 0.0020921 k( 21) = ( 0.1780275 0.1780275 0.0000000), wk = 0.0020921 k( 22) = ( 0.1869289 0.1869289 0.0000000), wk = 0.0020921 k( 23) = ( 0.1958303 0.1958303 0.0000000), wk = 0.0020921 k( 24) = ( 0.2047317 0.2047317 0.0000000), wk = 0.0020921 k( 25) = ( 0.2136330 0.2136330 0.0000000), wk = 0.0020921 k( 26) = ( 0.2225344 0.2225344 0.0000000), wk = 0.0020921 k( 27) = ( 0.2314358 0.2314358 0.0000000), wk = 0.0020921 k( 28) = ( 0.2403372 0.2403372 0.0000000), wk = 0.0020921 k( 29) = ( 0.2492386 0.2492386 0.0000000), wk = 0.0020921 k( 30) = ( 0.2581399 0.2581399 0.0000000), wk = 0.0020921 k( 31) = ( 0.2670413 0.2670413 0.0000000), wk = 0.0020921 k( 32) = ( 0.2759427 0.2759427 0.0000000), wk = 0.0020921 k( 33) = ( 0.2848441 0.2848441 0.0000000), wk = 0.0020921 k( 34) = ( 0.2937455 0.2937455 0.0000000), wk = 0.0020921 k( 35) = ( 0.3026468 0.3026468 0.0000000), wk = 0.0020921 k( 36) = ( 0.3115482 0.3115482 0.0000000), wk = 0.0020921 k( 37) = ( 0.3204496 0.3204496 0.0000000), wk = 0.0020921 k( 38) = ( 0.3293510 0.3293510 0.0000000), wk = 0.0020921 k( 39) = ( 0.3382523 0.3382523 0.0000000), wk = 0.0020921 k( 40) = ( 0.3471537 0.3471537 0.0000000), wk = 0.0020921 k( 41) = ( 0.3560551 0.3560551 0.0000000), wk = 0.0020921 k( 42) = ( 0.3649565 0.3649565 0.0000000), wk = 0.0020921 k( 43) = ( 0.3738578 0.3738578 0.0000000), wk = 0.0020921 k( 44) = ( 0.3827592 0.3827592 0.0000000), wk = 0.0020921 k( 45) = ( 0.3916606 0.3916606 0.0000000), wk = 0.0020921 k( 46) = ( 0.4005620 0.4005620 0.0000000), wk = 0.0020921 k( 47) = ( 0.4094634 0.4094633 0.0000000), wk = 0.0020921 k( 48) = ( 0.4183647 0.4183647 0.0000000), wk = 0.0020921 k( 49) = ( 0.4272661 0.4272661 0.0000000), wk = 0.0020921 k( 50) = ( 0.4361675 0.4361675 0.0000000), wk = 0.0020921 k( 51) = ( 0.4450689 0.4450689 0.0000000), wk = 0.0020921 k( 52) = ( 0.4539702 0.4539702 0.0000000), wk = 0.0020921 k( 53) = ( 0.4628716 0.4628716 0.0000000), wk = 0.0020921 k( 54) = ( 0.4717730 0.4717730 0.0000000), wk = 0.0020921 k( 55) = ( 0.4806744 0.4806744 0.0000000), wk = 0.0020921 k( 56) = ( 0.4895757 0.4895757 0.0000000), wk = 0.0020921 k( 57) = ( 0.4984771 0.4984771 0.0000000), wk = 0.0020921 k( 58) = ( 0.4984771 0.4984771 0.0000000), wk = 0.0020921 k( 59) = ( 0.4860152 0.4985152 0.0000000), wk = 0.0020921 k( 60) = ( 0.4735533 0.4985533 0.0000000), wk = 0.0020921 k( 61) = ( 0.4610913 0.4985913 0.0000000), wk = 0.0020921 k( 62) = ( 0.4486294 0.4986294 0.0000000), wk = 0.0020921 k( 63) = ( 0.4361675 0.4986675 0.0000000), wk = 0.0020921 k( 64) = ( 0.4237056 0.4987056 0.0000000), wk = 0.0020921 k( 65) = ( 0.4112436 0.4987436 0.0000000), wk = 0.0020921 k( 66) = ( 0.3987817 0.4987817 0.0000000), wk = 0.0020921 k( 67) = ( 0.3863198 0.4988198 0.0000000), wk = 0.0020921 k( 68) = ( 0.3738578 0.4988578 0.0000000), wk = 0.0020921 k( 69) = ( 0.3613959 0.4988959 0.0000000), wk = 0.0020921 k( 70) = ( 0.3489340 0.4989340 0.0000000), wk = 0.0020921 k( 71) = ( 0.3364721 0.4989721 0.0000000), wk = 0.0020921 k( 72) = ( 0.3240101 0.4990101 0.0000000), wk = 0.0020921 k( 73) = ( 0.3115482 0.4990482 0.0000000), wk = 0.0020921 k( 74) = ( 0.2990863 0.4990863 0.0000000), wk = 0.0020921 k( 75) = ( 0.2866244 0.4991243 0.0000000), wk = 0.0020921 k( 76) = ( 0.2741624 0.4991624 0.0000000), wk = 0.0020921 k( 77) = ( 0.2617005 0.4992005 0.0000000), wk = 0.0020921 k( 78) = ( 0.2492386 0.4992386 0.0000000), wk = 0.0020921 k( 79) = ( 0.2367766 0.4992766 0.0000000), wk = 0.0020921 k( 80) = ( 0.2243147 0.4993147 0.0000000), wk = 0.0020921 k( 81) = ( 0.2118528 0.4993528 0.0000000), wk = 0.0020921 k( 82) = ( 0.1993909 0.4993908 0.0000000), wk = 0.0020921 k( 83) = ( 0.1869289 0.4994289 0.0000000), wk = 0.0020921 k( 84) = ( 0.1744670 0.4994670 0.0000000), wk = 0.0020921 k( 85) = ( 0.1620051 0.4995051 0.0000000), wk = 0.0020921 k( 86) = ( 0.1495431 0.4995431 0.0000000), wk = 0.0020921 k( 87) = ( 0.1370812 0.4995812 0.0000000), wk = 0.0020921 k( 88) = ( 0.1246193 0.4996193 0.0000000), wk = 0.0020921 k( 89) = ( 0.1121574 0.4996573 0.0000000), wk = 0.0020921 k( 90) = ( 0.0996954 0.4996954 0.0000000), wk = 0.0020921 k( 91) = ( 0.0872335 0.4997335 0.0000000), wk = 0.0020921 k( 92) = ( 0.0747716 0.4997716 -0.0000000), wk = 0.0020921 k( 93) = ( 0.0623096 0.4998096 0.0000000), wk = 0.0020921 k( 94) = ( 0.0498477 0.4998477 0.0000000), wk = 0.0020921 k( 95) = ( 0.0373858 0.4998858 0.0000000), wk = 0.0020921 k( 96) = ( 0.0249239 0.4999239 0.0000000), wk = 0.0020921 k( 97) = ( 0.0124619 0.4999619 0.0000000), wk = 0.0020921 k( 98) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020921 k( 99) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020921 k( 100) = ( 0.0000000 0.5000000 0.0125000), wk = 0.0020921 k( 101) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0020921 k( 102) = ( 0.0000000 0.5000000 0.0375000), wk = 0.0020921 k( 103) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0020921 k( 104) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0020921 k( 105) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0020921 k( 106) = ( 0.0000000 0.5000000 0.0875000), wk = 0.0020921 k( 107) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0020921 k( 108) = ( 0.0000000 0.5000000 0.1125000), wk = 0.0020921 k( 109) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0020921 k( 110) = ( 0.0000000 0.5000000 0.1375000), wk = 0.0020921 k( 111) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0020921 k( 112) = ( 0.0000000 0.5000000 0.1625000), wk = 0.0020921 k( 113) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0020921 k( 114) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0020921 k( 115) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0020921 k( 116) = ( 0.0000000 0.5000000 0.2125000), wk = 0.0020921 k( 117) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0020921 k( 118) = ( 0.0000000 0.5000000 0.2375000), wk = 0.0020921 k( 119) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0020921 k( 120) = ( 0.0000000 0.5000000 0.2625000), wk = 0.0020921 k( 121) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0020921 k( 122) = ( 0.0000000 0.5000000 0.2875000), wk = 0.0020921 k( 123) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0020921 k( 124) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0020921 k( 125) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0020921 k( 126) = ( 0.0000000 0.5000000 0.3375000), wk = 0.0020921 k( 127) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0020921 k( 128) = ( 0.0000000 0.5000000 0.3625000), wk = 0.0020921 k( 129) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0020921 k( 130) = ( 0.0000000 0.5000000 0.3875000), wk = 0.0020921 k( 131) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0020921 k( 132) = ( 0.0000000 0.5000000 0.4125000), wk = 0.0020921 k( 133) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0020921 k( 134) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0020921 k( 135) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0020921 k( 136) = ( 0.0000000 0.5000000 0.4625000), wk = 0.0020921 k( 137) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0020921 k( 138) = ( 0.0000000 0.5000000 0.4875000), wk = 0.0020921 k( 139) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020921 k( 140) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020921 k( 141) = ( 0.0124619 0.4999619 0.5000000), wk = 0.0020921 k( 142) = ( 0.0249239 0.4999239 0.5000000), wk = 0.0020921 k( 143) = ( 0.0373858 0.4998858 0.5000000), wk = 0.0020921 k( 144) = ( 0.0498477 0.4998477 0.5000000), wk = 0.0020921 k( 145) = ( 0.0623096 0.4998096 0.5000000), wk = 0.0020921 k( 146) = ( 0.0747716 0.4997716 0.5000000), wk = 0.0020921 k( 147) = ( 0.0872335 0.4997335 0.5000000), wk = 0.0020921 k( 148) = ( 0.0996954 0.4996954 0.5000000), wk = 0.0020921 k( 149) = ( 0.1121574 0.4996573 0.5000000), wk = 0.0020921 k( 150) = ( 0.1246193 0.4996193 0.5000000), wk = 0.0020921 k( 151) = ( 0.1370812 0.4995812 0.5000000), wk = 0.0020921 k( 152) = ( 0.1495431 0.4995431 0.5000000), wk = 0.0020921 k( 153) = ( 0.1620051 0.4995051 0.5000000), wk = 0.0020921 k( 154) = ( 0.1744670 0.4994670 0.5000000), wk = 0.0020921 k( 155) = ( 0.1869289 0.4994289 0.5000000), wk = 0.0020921 k( 156) = ( 0.1993909 0.4993908 0.5000000), wk = 0.0020921 k( 157) = ( 0.2118528 0.4993528 0.5000000), wk = 0.0020921 k( 158) = ( 0.2243147 0.4993147 0.5000000), wk = 0.0020921 k( 159) = ( 0.2367766 0.4992766 0.5000000), wk = 0.0020921 k( 160) = ( 0.2492386 0.4992386 0.5000000), wk = 0.0020921 k( 161) = ( 0.2617005 0.4992005 0.5000000), wk = 0.0020921 k( 162) = ( 0.2741624 0.4991624 0.5000000), wk = 0.0020921 k( 163) = ( 0.2866244 0.4991243 0.5000000), wk = 0.0020921 k( 164) = ( 0.2990863 0.4990863 0.5000000), wk = 0.0020921 k( 165) = ( 0.3115482 0.4990482 0.5000000), wk = 0.0020921 k( 166) = ( 0.3240101 0.4990101 0.5000000), wk = 0.0020921 k( 167) = ( 0.3364721 0.4989721 0.5000000), wk = 0.0020921 k( 168) = ( 0.3489340 0.4989340 0.5000000), wk = 0.0020921 k( 169) = ( 0.3613959 0.4988959 0.5000000), wk = 0.0020921 k( 170) = ( 0.3738578 0.4988578 0.5000000), wk = 0.0020921 k( 171) = ( 0.3863198 0.4988198 0.5000000), wk = 0.0020921 k( 172) = ( 0.3987817 0.4987817 0.5000000), wk = 0.0020921 k( 173) = ( 0.4112436 0.4987436 0.5000000), wk = 0.0020921 k( 174) = ( 0.4237056 0.4987056 0.5000000), wk = 0.0020921 k( 175) = ( 0.4361675 0.4986675 0.5000000), wk = 0.0020921 k( 176) = ( 0.4486294 0.4986294 0.5000000), wk = 0.0020921 k( 177) = ( 0.4610913 0.4985913 0.5000000), wk = 0.0020921 k( 178) = ( 0.4735533 0.4985533 0.5000000), wk = 0.0020921 k( 179) = ( 0.4860152 0.4985152 0.5000000), wk = 0.0020921 k( 180) = ( 0.4984771 0.4984771 0.5000000), wk = 0.0020921 k( 181) = ( 0.4984771 0.4984771 0.5000000), wk = 0.0020921 k( 182) = ( 0.4895757 0.4895757 0.5000000), wk = 0.0020921 k( 183) = ( 0.4806744 0.4806744 0.5000000), wk = 0.0020921 k( 184) = ( 0.4717730 0.4717730 0.5000000), wk = 0.0020921 k( 185) = ( 0.4628716 0.4628716 0.5000000), wk = 0.0020921 k( 186) = ( 0.4539702 0.4539702 0.5000000), wk = 0.0020921 k( 187) = ( 0.4450689 0.4450689 0.5000000), wk = 0.0020921 k( 188) = ( 0.4361675 0.4361675 0.5000000), wk = 0.0020921 k( 189) = ( 0.4272661 0.4272661 0.5000000), wk = 0.0020921 k( 190) = ( 0.4183647 0.4183647 0.5000000), wk = 0.0020921 k( 191) = ( 0.4094634 0.4094633 0.5000000), wk = 0.0020921 k( 192) = ( 0.4005620 0.4005620 0.5000000), wk = 0.0020921 k( 193) = ( 0.3916606 0.3916606 0.5000000), wk = 0.0020921 k( 194) = ( 0.3827592 0.3827592 0.5000000), wk = 0.0020921 k( 195) = ( 0.3738578 0.3738578 0.5000000), wk = 0.0020921 k( 196) = ( 0.3649565 0.3649565 0.5000000), wk = 0.0020921 k( 197) = ( 0.3560551 0.3560551 0.5000000), wk = 0.0020921 k( 198) = ( 0.3471537 0.3471537 0.5000000), wk = 0.0020921 k( 199) = ( 0.3382523 0.3382523 0.5000000), wk = 0.0020921 k( 200) = ( 0.3293510 0.3293510 0.5000000), wk = 0.0020921 k( 201) = ( 0.3204496 0.3204496 0.5000000), wk = 0.0020921 k( 202) = ( 0.3115482 0.3115482 0.5000000), wk = 0.0020921 k( 203) = ( 0.3026468 0.3026468 0.5000000), wk = 0.0020921 k( 204) = ( 0.2937455 0.2937455 0.5000000), wk = 0.0020921 k( 205) = ( 0.2848441 0.2848441 0.5000000), wk = 0.0020921 k( 206) = ( 0.2759427 0.2759427 0.5000000), wk = 0.0020921 k( 207) = ( 0.2670413 0.2670413 0.5000000), wk = 0.0020921 k( 208) = ( 0.2581399 0.2581399 0.5000000), wk = 0.0020921 k( 209) = ( 0.2492386 0.2492386 0.5000000), wk = 0.0020921 k( 210) = ( 0.2403372 0.2403372 0.5000000), wk = 0.0020921 k( 211) = ( 0.2314358 0.2314358 0.5000000), wk = 0.0020921 k( 212) = ( 0.2225344 0.2225344 0.5000000), wk = 0.0020921 k( 213) = ( 0.2136330 0.2136330 0.5000000), wk = 0.0020921 k( 214) = ( 0.2047317 0.2047317 0.5000000), wk = 0.0020921 k( 215) = ( 0.1958303 0.1958303 0.5000000), wk = 0.0020921 k( 216) = ( 0.1869289 0.1869289 0.5000000), wk = 0.0020921 k( 217) = ( 0.1780275 0.1780275 0.5000000), wk = 0.0020921 k( 218) = ( 0.1691262 0.1691262 0.5000000), wk = 0.0020921 k( 219) = ( 0.1602248 0.1602248 0.5000000), wk = 0.0020921 k( 220) = ( 0.1513234 0.1513234 0.5000000), wk = 0.0020921 k( 221) = ( 0.1424220 0.1424220 0.5000000), wk = 0.0020921 k( 222) = ( 0.1335207 0.1335207 0.5000000), wk = 0.0020921 k( 223) = ( 0.1246193 0.1246193 0.5000000), wk = 0.0020921 k( 224) = ( 0.1157179 0.1157179 0.5000000), wk = 0.0020921 k( 225) = ( 0.1068165 0.1068165 0.5000000), wk = 0.0020921 k( 226) = ( 0.0979152 0.0979152 0.5000000), wk = 0.0020921 k( 227) = ( 0.0890138 0.0890138 0.5000000), wk = 0.0020921 k( 228) = ( 0.0801124 0.0801124 0.5000000), wk = 0.0020921 k( 229) = ( 0.0712110 0.0712110 0.5000000), wk = 0.0020921 k( 230) = ( 0.0623096 0.0623096 0.5000000), wk = 0.0020921 k( 231) = ( 0.0534083 0.0534083 0.5000000), wk = 0.0020921 k( 232) = ( 0.0445069 0.0445069 0.5000000), wk = 0.0020921 k( 233) = ( 0.0356055 0.0356055 0.5000000), wk = 0.0020921 k( 234) = ( 0.0267041 0.0267041 0.5000000), wk = 0.0020921 k( 235) = ( 0.0178027 0.0178027 0.5000000), wk = 0.0020921 k( 236) = ( 0.0089014 0.0089014 0.5000000), wk = 0.0020921 k( 237) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020921 k( 238) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020921 k( 239) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0020921 k( 240) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0020921 k( 241) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0020921 k( 242) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0020921 k( 243) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0020921 k( 244) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0020921 k( 245) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0020921 k( 246) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0020921 k( 247) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0020921 k( 248) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0020921 k( 249) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0020921 k( 250) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0020921 k( 251) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0020921 k( 252) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0020921 k( 253) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0020921 k( 254) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0020921 k( 255) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0020921 k( 256) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0020921 k( 257) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0020921 k( 258) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0020921 k( 259) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0020921 k( 260) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0020921 k( 261) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0020921 k( 262) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0020921 k( 263) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0020921 k( 264) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0020921 k( 265) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0020921 k( 266) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0020921 k( 267) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0020921 k( 268) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0020921 k( 269) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0020921 k( 270) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0020921 k( 271) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0020921 k( 272) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0020921 k( 273) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0020921 k( 274) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0020921 k( 275) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0020921 k( 276) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0020921 k( 277) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0020921 k( 278) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 279) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 280) = ( -0.0089286 0.0089286 0.0000000), wk = 0.0020921 k( 281) = ( -0.0178571 0.0178571 0.0000000), wk = 0.0020921 k( 282) = ( -0.0267857 0.0267857 -0.0000000), wk = 0.0020921 k( 283) = ( -0.0357143 0.0357143 -0.0000000), wk = 0.0020921 k( 284) = ( -0.0446429 0.0446429 0.0000000), wk = 0.0020921 k( 285) = ( -0.0535714 0.0535714 -0.0000000), wk = 0.0020921 k( 286) = ( -0.0625000 0.0625000 -0.0000000), wk = 0.0020921 k( 287) = ( -0.0714286 0.0714286 -0.0000000), wk = 0.0020921 k( 288) = ( -0.0803571 0.0803571 0.0000000), wk = 0.0020921 k( 289) = ( -0.0892857 0.0892857 -0.0000000), wk = 0.0020921 k( 290) = ( -0.0982143 0.0982143 -0.0000000), wk = 0.0020921 k( 291) = ( -0.1071429 0.1071429 -0.0000000), wk = 0.0020921 k( 292) = ( -0.1160714 0.1160714 -0.0000000), wk = 0.0020921 k( 293) = ( -0.1250000 0.1250000 -0.0000000), wk = 0.0020921 k( 294) = ( -0.1339286 0.1339286 -0.0000000), wk = 0.0020921 k( 295) = ( -0.1428571 0.1428571 -0.0000000), wk = 0.0020921 k( 296) = ( -0.1517857 0.1517857 -0.0000000), wk = 0.0020921 k( 297) = ( -0.1607143 0.1607143 0.0000000), wk = 0.0020921 k( 298) = ( -0.1696429 0.1696429 -0.0000000), wk = 0.0020921 k( 299) = ( -0.1785714 0.1785714 -0.0000000), wk = 0.0020921 k( 300) = ( -0.1875000 0.1875000 -0.0000000), wk = 0.0020921 k( 301) = ( -0.1964286 0.1964286 -0.0000000), wk = 0.0020921 k( 302) = ( -0.2053571 0.2053571 -0.0000000), wk = 0.0020921 k( 303) = ( -0.2142857 0.2142857 -0.0000000), wk = 0.0020921 k( 304) = ( -0.2232143 0.2232143 0.0000000), wk = 0.0020921 k( 305) = ( -0.2321429 0.2321429 -0.0000000), wk = 0.0020921 k( 306) = ( -0.2410714 0.2410714 -0.0000000), wk = 0.0020921 k( 307) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0020921 k( 308) = ( -0.2589286 0.2589286 -0.0000000), wk = 0.0020921 k( 309) = ( -0.2678571 0.2678571 -0.0000000), wk = 0.0020921 k( 310) = ( -0.2767857 0.2767857 0.0000000), wk = 0.0020921 k( 311) = ( -0.2857143 0.2857143 -0.0000000), wk = 0.0020921 k( 312) = ( -0.2946429 0.2946429 -0.0000000), wk = 0.0020921 k( 313) = ( -0.3035714 0.3035714 -0.0000000), wk = 0.0020921 k( 314) = ( -0.3125000 0.3125000 0.0000000), wk = 0.0020921 k( 315) = ( -0.3214286 0.3214286 -0.0000000), wk = 0.0020921 k( 316) = ( -0.3303571 0.3303571 -0.0000000), wk = 0.0020921 k( 317) = ( -0.3392857 0.3392857 -0.0000000), wk = 0.0020921 k( 318) = ( -0.3482143 0.3482143 -0.0000000), wk = 0.0020921 k( 319) = ( -0.3571429 0.3571429 -0.0000000), wk = 0.0020921 k( 320) = ( -0.3660714 0.3660714 -0.0000000), wk = 0.0020921 k( 321) = ( -0.3750000 0.3750000 -0.0000000), wk = 0.0020921 k( 322) = ( -0.3839286 0.3839286 -0.0000000), wk = 0.0020921 k( 323) = ( -0.3928571 0.3928571 -0.0000000), wk = 0.0020921 k( 324) = ( -0.4017857 0.4017857 -0.0000000), wk = 0.0020921 k( 325) = ( -0.4107143 0.4107143 -0.0000000), wk = 0.0020921 k( 326) = ( -0.4196429 0.4196429 -0.0000000), wk = 0.0020921 k( 327) = ( -0.4285714 0.4285714 -0.0000000), wk = 0.0020921 k( 328) = ( -0.4375000 0.4375000 -0.0000000), wk = 0.0020921 k( 329) = ( -0.4464286 0.4464286 -0.0000000), wk = 0.0020921 k( 330) = ( -0.4553571 0.4553571 -0.0000000), wk = 0.0020921 k( 331) = ( -0.4642857 0.4642857 -0.0000000), wk = 0.0020921 k( 332) = ( -0.4732143 0.4732143 -0.0000000), wk = 0.0020921 k( 333) = ( -0.4821429 0.4821429 -0.0000000), wk = 0.0020921 k( 334) = ( -0.4910714 0.4910714 0.0000000), wk = 0.0020921 k( 335) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0020921 k( 336) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0020921 k( 337) = ( -0.4984771 0.5015229 -0.0000000), wk = 0.0020921 k( 338) = ( -0.4984771 0.5015229 -0.0000000), wk = 0.0020921 k( 339) = ( -0.4984771 0.5015229 0.0125000), wk = 0.0020921 k( 340) = ( -0.4984771 0.5015229 0.0250000), wk = 0.0020921 k( 341) = ( -0.4984771 0.5015229 0.0375000), wk = 0.0020921 k( 342) = ( -0.4984771 0.5015229 0.0500000), wk = 0.0020921 k( 343) = ( -0.4984771 0.5015229 0.0625000), wk = 0.0020921 k( 344) = ( -0.4984771 0.5015229 0.0750000), wk = 0.0020921 k( 345) = ( -0.4984771 0.5015229 0.0875000), wk = 0.0020921 k( 346) = ( -0.4984771 0.5015229 0.1000000), wk = 0.0020921 k( 347) = ( -0.4984771 0.5015229 0.1125000), wk = 0.0020921 k( 348) = ( -0.4984771 0.5015229 0.1250000), wk = 0.0020921 k( 349) = ( -0.4984771 0.5015229 0.1375000), wk = 0.0020921 k( 350) = ( -0.4984771 0.5015229 0.1500000), wk = 0.0020921 k( 351) = ( -0.4984771 0.5015229 0.1625000), wk = 0.0020921 k( 352) = ( -0.4984771 0.5015229 0.1750000), wk = 0.0020921 k( 353) = ( -0.4984771 0.5015229 0.1875000), wk = 0.0020921 k( 354) = ( -0.4984771 0.5015229 0.2000000), wk = 0.0020921 k( 355) = ( -0.4984771 0.5015229 0.2125000), wk = 0.0020921 k( 356) = ( -0.4984771 0.5015229 0.2250000), wk = 0.0020921 k( 357) = ( -0.4984771 0.5015229 0.2375000), wk = 0.0020921 k( 358) = ( -0.4984771 0.5015229 0.2500000), wk = 0.0020921 k( 359) = ( -0.4984771 0.5015229 0.2625000), wk = 0.0020921 k( 360) = ( -0.4984771 0.5015229 0.2750000), wk = 0.0020921 k( 361) = ( -0.4984771 0.5015229 0.2875000), wk = 0.0020921 k( 362) = ( -0.4984771 0.5015229 0.3000000), wk = 0.0020921 k( 363) = ( -0.4984771 0.5015229 0.3125000), wk = 0.0020921 k( 364) = ( -0.4984771 0.5015229 0.3250000), wk = 0.0020921 k( 365) = ( -0.4984771 0.5015229 0.3375000), wk = 0.0020921 k( 366) = ( -0.4984771 0.5015229 0.3500000), wk = 0.0020921 k( 367) = ( -0.4984771 0.5015229 0.3625000), wk = 0.0020921 k( 368) = ( -0.4984771 0.5015229 0.3750000), wk = 0.0020921 k( 369) = ( -0.4984771 0.5015229 0.3875000), wk = 0.0020921 k( 370) = ( -0.4984771 0.5015229 0.4000000), wk = 0.0020921 k( 371) = ( -0.4984771 0.5015229 0.4125000), wk = 0.0020921 k( 372) = ( -0.4984771 0.5015229 0.4250000), wk = 0.0020921 k( 373) = ( -0.4984771 0.5015229 0.4375000), wk = 0.0020921 k( 374) = ( -0.4984771 0.5015229 0.4500000), wk = 0.0020921 k( 375) = ( -0.4984771 0.5015229 0.4625000), wk = 0.0020921 k( 376) = ( -0.4984771 0.5015229 0.4750000), wk = 0.0020921 k( 377) = ( -0.4984771 0.5015229 0.4875000), wk = 0.0020921 k( 378) = ( -0.4984771 0.5015229 0.5000000), wk = 0.0020921 k( 379) = ( -0.4984771 0.5015229 0.5000000), wk = 0.0020921 k( 380) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0020921 k( 381) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0020921 k( 382) = ( -0.5000000 0.5000000 0.4875000), wk = 0.0020921 k( 383) = ( -0.5000000 0.5000000 0.4750000), wk = 0.0020921 k( 384) = ( -0.5000000 0.5000000 0.4625000), wk = 0.0020921 k( 385) = ( -0.5000000 0.5000000 0.4500000), wk = 0.0020921 k( 386) = ( -0.5000000 0.5000000 0.4375000), wk = 0.0020921 k( 387) = ( -0.5000000 0.5000000 0.4250000), wk = 0.0020921 k( 388) = ( -0.5000000 0.5000000 0.4125000), wk = 0.0020921 k( 389) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0020921 k( 390) = ( -0.5000000 0.5000000 0.3875000), wk = 0.0020921 k( 391) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0020921 k( 392) = ( -0.5000000 0.5000000 0.3625000), wk = 0.0020921 k( 393) = ( -0.5000000 0.5000000 0.3500000), wk = 0.0020921 k( 394) = ( -0.5000000 0.5000000 0.3375000), wk = 0.0020921 k( 395) = ( -0.5000000 0.5000000 0.3250000), wk = 0.0020921 k( 396) = ( -0.5000000 0.5000000 0.3125000), wk = 0.0020921 k( 397) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0020921 k( 398) = ( -0.5000000 0.5000000 0.2875000), wk = 0.0020921 k( 399) = ( -0.5000000 0.5000000 0.2750000), wk = 0.0020921 k( 400) = ( -0.5000000 0.5000000 0.2625000), wk = 0.0020921 k( 401) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0020921 k( 402) = ( -0.5000000 0.5000000 0.2375000), wk = 0.0020921 k( 403) = ( -0.5000000 0.5000000 0.2250000), wk = 0.0020921 k( 404) = ( -0.5000000 0.5000000 0.2125000), wk = 0.0020921 k( 405) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0020921 k( 406) = ( -0.5000000 0.5000000 0.1875000), wk = 0.0020921 k( 407) = ( -0.5000000 0.5000000 0.1750000), wk = 0.0020921 k( 408) = ( -0.5000000 0.5000000 0.1625000), wk = 0.0020921 k( 409) = ( -0.5000000 0.5000000 0.1500000), wk = 0.0020921 k( 410) = ( -0.5000000 0.5000000 0.1375000), wk = 0.0020921 k( 411) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0020921 k( 412) = ( -0.5000000 0.5000000 0.1125000), wk = 0.0020921 k( 413) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0020921 k( 414) = ( -0.5000000 0.5000000 0.0875000), wk = 0.0020921 k( 415) = ( -0.5000000 0.5000000 0.0750000), wk = 0.0020921 k( 416) = ( -0.5000000 0.5000000 0.0625000), wk = 0.0020921 k( 417) = ( -0.5000000 0.5000000 0.0500000), wk = 0.0020921 k( 418) = ( -0.5000000 0.5000000 0.0375000), wk = 0.0020921 k( 419) = ( -0.5000000 0.5000000 0.0250000), wk = 0.0020921 k( 420) = ( -0.5000000 0.5000000 0.0125000), wk = 0.0020921 k( 421) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0020921 k( 422) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020921 k( 423) = ( -0.0089286 0.0089286 0.5000000), wk = 0.0020921 k( 424) = ( -0.0178571 0.0178571 0.5000000), wk = 0.0020921 k( 425) = ( -0.0267857 0.0267857 0.5000000), wk = 0.0020921 k( 426) = ( -0.0357143 0.0357143 0.5000000), wk = 0.0020921 k( 427) = ( -0.0446429 0.0446429 0.5000000), wk = 0.0020921 k( 428) = ( -0.0535714 0.0535714 0.5000000), wk = 0.0020921 k( 429) = ( -0.0625000 0.0625000 0.5000000), wk = 0.0020921 k( 430) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0020921 k( 431) = ( -0.0803571 0.0803571 0.5000000), wk = 0.0020921 k( 432) = ( -0.0892857 0.0892857 0.5000000), wk = 0.0020921 k( 433) = ( -0.0982143 0.0982143 0.5000000), wk = 0.0020921 k( 434) = ( -0.1071429 0.1071429 0.5000000), wk = 0.0020921 k( 435) = ( -0.1160714 0.1160714 0.5000000), wk = 0.0020921 k( 436) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0020921 k( 437) = ( -0.1339286 0.1339286 0.5000000), wk = 0.0020921 k( 438) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0020921 k( 439) = ( -0.1517857 0.1517857 0.5000000), wk = 0.0020921 k( 440) = ( -0.1607143 0.1607143 0.5000000), wk = 0.0020921 k( 441) = ( -0.1696429 0.1696429 0.5000000), wk = 0.0020921 k( 442) = ( -0.1785714 0.1785714 0.5000000), wk = 0.0020921 k( 443) = ( -0.1875000 0.1875000 0.5000000), wk = 0.0020921 k( 444) = ( -0.1964286 0.1964286 0.5000000), wk = 0.0020921 k( 445) = ( -0.2053571 0.2053571 0.5000000), wk = 0.0020921 k( 446) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0020921 k( 447) = ( -0.2232143 0.2232143 0.5000000), wk = 0.0020921 k( 448) = ( -0.2321429 0.2321429 0.5000000), wk = 0.0020921 k( 449) = ( -0.2410714 0.2410714 0.5000000), wk = 0.0020921 k( 450) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0020921 k( 451) = ( -0.2589286 0.2589286 0.5000000), wk = 0.0020921 k( 452) = ( -0.2678571 0.2678571 0.5000000), wk = 0.0020921 k( 453) = ( -0.2767857 0.2767857 0.5000000), wk = 0.0020921 k( 454) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0020921 k( 455) = ( -0.2946429 0.2946429 0.5000000), wk = 0.0020921 k( 456) = ( -0.3035714 0.3035714 0.5000000), wk = 0.0020921 k( 457) = ( -0.3125000 0.3125000 0.5000000), wk = 0.0020921 k( 458) = ( -0.3214286 0.3214286 0.5000000), wk = 0.0020921 k( 459) = ( -0.3303571 0.3303571 0.5000000), wk = 0.0020921 k( 460) = ( -0.3392857 0.3392857 0.5000000), wk = 0.0020921 k( 461) = ( -0.3482143 0.3482143 0.5000000), wk = 0.0020921 k( 462) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0020921 k( 463) = ( -0.3660714 0.3660714 0.5000000), wk = 0.0020921 k( 464) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0020921 k( 465) = ( -0.3839286 0.3839286 0.5000000), wk = 0.0020921 k( 466) = ( -0.3928571 0.3928571 0.5000000), wk = 0.0020921 k( 467) = ( -0.4017857 0.4017857 0.5000000), wk = 0.0020921 k( 468) = ( -0.4107143 0.4107143 0.5000000), wk = 0.0020921 k( 469) = ( -0.4196429 0.4196429 0.5000000), wk = 0.0020921 k( 470) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0020921 k( 471) = ( -0.4375000 0.4375000 0.5000000), wk = 0.0020921 k( 472) = ( -0.4464286 0.4464286 0.5000000), wk = 0.0020921 k( 473) = ( -0.4553571 0.4553571 0.5000000), wk = 0.0020921 k( 474) = ( -0.4642857 0.4642857 0.5000000), wk = 0.0020921 k( 475) = ( -0.4732143 0.4732143 0.5000000), wk = 0.0020921 k( 476) = ( -0.4821429 0.4821429 0.5000000), wk = 0.0020921 k( 477) = ( -0.4910714 0.4910714 0.5000000), wk = 0.0020921 k( 478) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0020921 Dense grid: 100129 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 21791 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 124, 48) NL pseudopotentials 0.11 Mb ( 62, 111) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2086) G-vector shells 0.01 Mb ( 1042) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.36 Mb ( 124, 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 total cpu time spent up to now is 43.4 secs Computing kpt #: 2 total cpu time spent up to now is 45.0 secs Computing kpt #: 3 total cpu time spent up to now is 46.2 secs Computing kpt #: 4 total cpu time spent up to now is 47.5 secs Computing kpt #: 5 total cpu time spent up to now is 48.8 secs Computing kpt #: 6 total cpu time spent up to now is 50.1 secs Computing kpt #: 7 total cpu time spent up to now is 51.4 secs Computing kpt #: 8 total cpu time spent up to now is 52.7 secs Computing kpt #: 9 total cpu time spent up to now is 54.0 secs Computing kpt #: 10 total cpu time spent up to now is 55.3 secs Computing kpt #: 11 total cpu time spent up to now is 56.5 secs Computing kpt #: 12 total cpu time spent up to now is 57.8 secs Computing kpt #: 13 total cpu time spent up to now is 59.1 secs Computing kpt #: 14 total cpu time spent up to now is 60.3 secs Computing kpt #: 15 total cpu time spent up to now is 61.5 secs Computing kpt #: 16 total cpu time spent up to now is 62.8 secs Computing kpt #: 17 total cpu time spent up to now is 64.0 secs Computing kpt #: 18 total cpu time spent up to now is 65.3 secs Computing kpt #: 19 total cpu time spent up to now is 66.6 secs Computing kpt #: 20 total cpu time spent up to now is 67.8 secs Computing kpt #: 21 total cpu time spent up to now is 69.1 secs Computing kpt #: 22 total cpu time spent up to now is 70.3 secs Computing kpt #: 23 total cpu time spent up to now is 71.6 secs Computing kpt #: 24 total cpu time spent up to now is 72.8 secs Computing kpt #: 25 total cpu time spent up to now is 74.3 secs Computing kpt #: 26 total cpu time spent up to now is 76.3 secs Computing kpt #: 27 total cpu time spent up to now is 78.2 secs Computing kpt #: 28 total cpu time spent up to now is 80.0 secs Computing kpt #: 29 total cpu time spent up to now is 81.4 secs Computing kpt #: 30 total cpu time spent up to now is 82.6 secs Computing kpt #: 31 total cpu time spent up to now is 83.9 secs Computing kpt #: 32 total cpu time spent up to now is 85.1 secs Computing kpt #: 33 total cpu time spent up to now is 86.4 secs Computing kpt #: 34 total cpu time spent up to now is 87.7 secs Computing kpt #: 35 total cpu time spent up to now is 88.9 secs Computing kpt #: 36 total cpu time spent up to now is 90.1 secs Computing kpt #: 37 total cpu time spent up to now is 91.3 secs Computing kpt #: 38 total cpu time spent up to now is 92.6 secs Computing kpt #: 39 total cpu time spent up to now is 93.8 secs Computing kpt #: 40 total cpu time spent up to now is 95.0 secs Computing kpt #: 41 total cpu time spent up to now is 96.1 secs Computing kpt #: 42 total cpu time spent up to now is 97.4 secs Computing kpt #: 43 total cpu time spent up to now is 98.6 secs Computing kpt #: 44 total cpu time spent up to now is 99.9 secs Computing kpt #: 45 total cpu time spent up to now is 101.5 secs Computing kpt #: 46 total cpu time spent up to now is 102.7 secs Computing kpt #: 47 total cpu time spent up to now is 104.0 secs Computing kpt #: 48 total cpu time spent up to now is 105.5 secs Computing kpt #: 49 total cpu time spent up to now is 106.7 secs Computing kpt #: 50 total cpu time spent up to now is 108.0 secs Computing kpt #: 51 total cpu time spent up to now is 109.3 secs Computing kpt #: 52 total cpu time spent up to now is 110.4 secs Computing kpt #: 53 total cpu time spent up to now is 111.4 secs Computing kpt #: 54 total cpu time spent up to now is 112.5 secs Computing kpt #: 55 total cpu time spent up to now is 113.8 secs Computing kpt #: 56 total cpu time spent up to now is 114.9 secs Computing kpt #: 57 total cpu time spent up to now is 115.9 secs Computing kpt #: 58 total cpu time spent up to now is 116.8 secs Computing kpt #: 59 total cpu time spent up to now is 117.8 secs Computing kpt #: 60 total cpu time spent up to now is 119.0 secs Computing kpt #: 61 total cpu time spent up to now is 120.0 secs Computing kpt #: 62 total cpu time spent up to now is 121.0 secs Computing kpt #: 63 total cpu time spent up to now is 122.1 secs Computing kpt #: 64 total cpu time spent up to now is 123.3 secs Computing kpt #: 65 total cpu time spent up to now is 124.5 secs Computing kpt #: 66 total cpu time spent up to now is 125.6 secs Computing kpt #: 67 total cpu time spent up to now is 126.7 secs Computing kpt #: 68 total cpu time spent up to now is 127.9 secs Computing kpt #: 69 total cpu time spent up to now is 128.9 secs Computing kpt #: 70 total cpu time spent up to now is 130.0 secs Computing kpt #: 71 total cpu time spent up to now is 131.3 secs Computing kpt #: 72 total cpu time spent up to now is 132.4 secs Computing kpt #: 73 total cpu time spent up to now is 133.6 secs Computing kpt #: 74 total cpu time spent up to now is 134.7 secs Computing kpt #: 75 total cpu time spent up to now is 135.8 secs Computing kpt #: 76 total cpu time spent up to now is 137.0 secs Computing kpt #: 77 total cpu time spent up to now is 138.1 secs Computing kpt #: 78 total cpu time spent up to now is 139.2 secs Computing kpt #: 79 total cpu time spent up to now is 140.4 secs Computing kpt #: 80 total cpu time spent up to now is 141.5 secs Computing kpt #: 81 total cpu time spent up to now is 142.8 secs Computing kpt #: 82 total cpu time spent up to now is 144.1 secs Computing kpt #: 83 total cpu time spent up to now is 145.7 secs Computing kpt #: 84 total cpu time spent up to now is 147.0 secs Computing kpt #: 85 total cpu time spent up to now is 148.3 secs Computing kpt #: 86 total cpu time spent up to now is 149.6 secs Computing kpt #: 87 total cpu time spent up to now is 150.9 secs Computing kpt #: 88 total cpu time spent up to now is 152.1 secs Computing kpt #: 89 total cpu time spent up to now is 153.5 secs Computing kpt #: 90 total cpu time spent up to now is 154.9 secs Computing kpt #: 91 total cpu time spent up to now is 156.1 secs Computing kpt #: 92 total cpu time spent up to now is 157.4 secs Computing kpt #: 93 total cpu time spent up to now is 158.6 secs Computing kpt #: 94 total cpu time spent up to now is 159.9 secs Computing kpt #: 95 total cpu time spent up to now is 161.2 secs Computing kpt #: 96 total cpu time spent up to now is 162.5 secs Computing kpt #: 97 total cpu time spent up to now is 163.7 secs Computing kpt #: 98 total cpu time spent up to now is 164.9 secs Computing kpt #: 99 total cpu time spent up to now is 166.2 secs Computing kpt #: 100 total cpu time spent up to now is 167.5 secs Computing kpt #: 101 total cpu time spent up to now is 168.8 secs Computing kpt #: 102 total cpu time spent up to now is 170.0 secs Computing kpt #: 103 total cpu time spent up to now is 171.3 secs Computing kpt #: 104 total cpu time spent up to now is 172.5 secs Computing kpt #: 105 total cpu time spent up to now is 173.8 secs Computing kpt #: 106 total cpu time spent up to now is 175.0 secs Computing kpt #: 107 total cpu time spent up to now is 176.2 secs Computing kpt #: 108 total cpu time spent up to now is 177.5 secs Computing kpt #: 109 total cpu time spent up to now is 178.7 secs Computing kpt #: 110 total cpu time spent up to now is 180.1 secs Computing kpt #: 111 total cpu time spent up to now is 181.4 secs Computing kpt #: 112 total cpu time spent up to now is 182.6 secs Computing kpt #: 113 total cpu time spent up to now is 183.8 secs Computing kpt #: 114 total cpu time spent up to now is 185.0 secs Computing kpt #: 115 total cpu time spent up to now is 186.2 secs Computing kpt #: 116 total cpu time spent up to now is 187.4 secs Computing kpt #: 117 total cpu time spent up to now is 188.7 secs Computing kpt #: 118 total cpu time spent up to now is 189.9 secs Computing kpt #: 119 total cpu time spent up to now is 191.2 secs Computing kpt #: 120 total cpu time spent up to now is 192.4 secs Computing kpt #: 121 total cpu time spent up to now is 193.6 secs Computing kpt #: 122 total cpu time spent up to now is 194.8 secs Computing kpt #: 123 total cpu time spent up to now is 196.0 secs Computing kpt #: 124 total cpu time spent up to now is 197.3 secs Computing kpt #: 125 total cpu time spent up to now is 198.5 secs Computing kpt #: 126 total cpu time spent up to now is 199.7 secs Computing kpt #: 127 total cpu time spent up to now is 200.8 secs Computing kpt #: 128 total cpu time spent up to now is 202.2 secs Computing kpt #: 129 total cpu time spent up to now is 203.6 secs Computing kpt #: 130 total cpu time spent up to now is 204.8 secs Computing kpt #: 131 total cpu time spent up to now is 205.9 secs Computing kpt #: 132 total cpu time spent up to now is 207.1 secs Computing kpt #: 133 total cpu time spent up to now is 208.4 secs Computing kpt #: 134 total cpu time spent up to now is 209.7 secs Computing kpt #: 135 total cpu time spent up to now is 210.8 secs Computing kpt #: 136 total cpu time spent up to now is 212.2 secs Computing kpt #: 137 total cpu time spent up to now is 213.4 secs Computing kpt #: 138 total cpu time spent up to now is 214.6 secs Computing kpt #: 139 total cpu time spent up to now is 215.8 secs Computing kpt #: 140 total cpu time spent up to now is 217.0 secs Computing kpt #: 141 total cpu time spent up to now is 218.2 secs Computing kpt #: 142 total cpu time spent up to now is 219.5 secs Computing kpt #: 143 total cpu time spent up to now is 220.8 secs Computing kpt #: 144 total cpu time spent up to now is 222.1 secs Computing kpt #: 145 total cpu time spent up to now is 223.2 secs Computing kpt #: 146 total cpu time spent up to now is 224.4 secs Computing kpt #: 147 total cpu time spent up to now is 225.7 secs Computing kpt #: 148 total cpu time spent up to now is 227.1 secs Computing kpt #: 149 total cpu time spent up to now is 228.5 secs Computing kpt #: 150 total cpu time spent up to now is 229.9 secs Computing kpt #: 151 total cpu time spent up to now is 231.1 secs Computing kpt #: 152 total cpu time spent up to now is 232.5 secs Computing kpt #: 153 total cpu time spent up to now is 234.0 secs Computing kpt #: 154 total cpu time spent up to now is 235.4 secs Computing kpt #: 155 total cpu time spent up to now is 236.8 secs Computing kpt #: 156 total cpu time spent up to now is 238.0 secs Computing kpt #: 157 total cpu time spent up to now is 239.4 secs Computing kpt #: 158 total cpu time spent up to now is 241.2 secs Computing kpt #: 159 total cpu time spent up to now is 242.8 secs Computing kpt #: 160 total cpu time spent up to now is 244.7 secs Computing kpt #: 161 total cpu time spent up to now is 246.1 secs Computing kpt #: 162 total cpu time spent up to now is 247.6 secs Computing kpt #: 163 total cpu time spent up to now is 249.0 secs Computing kpt #: 164 total cpu time spent up to now is 250.5 secs Computing kpt #: 165 total cpu time spent up to now is 251.9 secs Computing kpt #: 166 total cpu time spent up to now is 253.2 secs Computing kpt #: 167 total cpu time spent up to now is 254.6 secs Computing kpt #: 168 total cpu time spent up to now is 255.8 secs Computing kpt #: 169 total cpu time spent up to now is 257.2 secs Computing kpt #: 170 total cpu time spent up to now is 258.6 secs Computing kpt #: 171 total cpu time spent up to now is 259.9 secs Computing kpt #: 172 total cpu time spent up to now is 261.1 secs Computing kpt #: 173 total cpu time spent up to now is 262.3 secs Computing kpt #: 174 total cpu time spent up to now is 263.7 secs Computing kpt #: 175 total cpu time spent up to now is 264.8 secs Computing kpt #: 176 total cpu time spent up to now is 266.1 secs Computing kpt #: 177 total cpu time spent up to now is 267.2 secs Computing kpt #: 178 total cpu time spent up to now is 268.6 secs Computing kpt #: 179 total cpu time spent up to now is 269.7 secs Computing kpt #: 180 total cpu time spent up to now is 271.0 secs Computing kpt #: 181 total cpu time spent up to now is 272.1 secs Computing kpt #: 182 total cpu time spent up to now is 273.2 secs Computing kpt #: 183 total cpu time spent up to now is 274.4 secs Computing kpt #: 184 total cpu time spent up to now is 275.8 secs Computing kpt #: 185 total cpu time spent up to now is 277.1 secs Computing kpt #: 186 total cpu time spent up to now is 278.4 secs Computing kpt #: 187 total cpu time spent up to now is 279.9 secs Computing kpt #: 188 total cpu time spent up to now is 280.8 secs Computing kpt #: 189 total cpu time spent up to now is 281.8 secs Computing kpt #: 190 total cpu time spent up to now is 283.1 secs Computing kpt #: 191 total cpu time spent up to now is 284.1 secs Computing kpt #: 192 total cpu time spent up to now is 285.5 secs Computing kpt #: 193 total cpu time spent up to now is 286.9 secs Computing kpt #: 194 total cpu time spent up to now is 288.3 secs Computing kpt #: 195 total cpu time spent up to now is 289.7 secs Computing kpt #: 196 total cpu time spent up to now is 291.3 secs Computing kpt #: 197 total cpu time spent up to now is 292.9 secs Computing kpt #: 198 total cpu time spent up to now is 295.6 secs Computing kpt #: 199 total cpu time spent up to now is 298.3 secs Computing kpt #: 200 total cpu time spent up to now is 300.9 secs Computing kpt #: 201 total cpu time spent up to now is 302.1 secs Computing kpt #: 202 total cpu time spent up to now is 303.7 secs Computing kpt #: 203 total cpu time spent up to now is 305.2 secs Computing kpt #: 204 total cpu time spent up to now is 306.7 secs Computing kpt #: 205 total cpu time spent up to now is 307.9 secs Computing kpt #: 206 total cpu time spent up to now is 309.3 secs Computing kpt #: 207 total cpu time spent up to now is 310.6 secs Computing kpt #: 208 total cpu time spent up to now is 311.8 secs Computing kpt #: 209 total cpu time spent up to now is 313.2 secs Computing kpt #: 210 total cpu time spent up to now is 314.5 secs Computing kpt #: 211 total cpu time spent up to now is 315.8 secs Computing kpt #: 212 total cpu time spent up to now is 317.1 secs Computing kpt #: 213 total cpu time spent up to now is 318.3 secs Computing kpt #: 214 total cpu time spent up to now is 319.6 secs Computing kpt #: 215 total cpu time spent up to now is 320.8 secs Computing kpt #: 216 total cpu time spent up to now is 322.1 secs Computing kpt #: 217 total cpu time spent up to now is 323.3 secs Computing kpt #: 218 total cpu time spent up to now is 324.6 secs Computing kpt #: 219 total cpu time spent up to now is 325.8 secs Computing kpt #: 220 total cpu time spent up to now is 327.1 secs Computing kpt #: 221 total cpu time spent up to now is 328.7 secs Computing kpt #: 222 total cpu time spent up to now is 329.9 secs Computing kpt #: 223 total cpu time spent up to now is 331.2 secs Computing kpt #: 224 total cpu time spent up to now is 332.4 secs Computing kpt #: 225 total cpu time spent up to now is 333.6 secs Computing kpt #: 226 total cpu time spent up to now is 334.9 secs Computing kpt #: 227 total cpu time spent up to now is 336.2 secs Computing kpt #: 228 total cpu time spent up to now is 337.4 secs Computing kpt #: 229 total cpu time spent up to now is 338.7 secs Computing kpt #: 230 total cpu time spent up to now is 339.9 secs Computing kpt #: 231 total cpu time spent up to now is 341.3 secs Computing kpt #: 232 total cpu time spent up to now is 342.8 secs Computing kpt #: 233 total cpu time spent up to now is 344.2 secs Computing kpt #: 234 total cpu time spent up to now is 345.4 secs Computing kpt #: 235 total cpu time spent up to now is 346.6 secs Computing kpt #: 236 total cpu time spent up to now is 347.9 secs Computing kpt #: 237 total cpu time spent up to now is 349.2 secs Computing kpt #: 238 total cpu time spent up to now is 350.4 secs Computing kpt #: 239 total cpu time spent up to now is 351.8 secs Computing kpt #: 240 total cpu time spent up to now is 353.2 secs Computing kpt #: 241 total cpu time spent up to now is 354.4 secs Computing kpt #: 242 total cpu time spent up to now is 355.7 secs Computing kpt #: 243 total cpu time spent up to now is 357.0 secs Computing kpt #: 244 total cpu time spent up to now is 358.2 secs Computing kpt #: 245 total cpu time spent up to now is 359.5 secs Computing kpt #: 246 total cpu time spent up to now is 360.8 secs Computing kpt #: 247 total cpu time spent up to now is 362.0 secs Computing kpt #: 248 total cpu time spent up to now is 363.3 secs Computing kpt #: 249 total cpu time spent up to now is 364.5 secs Computing kpt #: 250 total cpu time spent up to now is 365.9 secs Computing kpt #: 251 total cpu time spent up to now is 367.1 secs Computing kpt #: 252 total cpu time spent up to now is 368.4 secs Computing kpt #: 253 total cpu time spent up to now is 369.8 secs Computing kpt #: 254 total cpu time spent up to now is 371.1 secs Computing kpt #: 255 total cpu time spent up to now is 372.4 secs Computing kpt #: 256 total cpu time spent up to now is 373.8 secs Computing kpt #: 257 total cpu time spent up to now is 375.8 secs Computing kpt #: 258 total cpu time spent up to now is 377.8 secs Computing kpt #: 259 total cpu time spent up to now is 379.7 secs Computing kpt #: 260 total cpu time spent up to now is 381.2 secs Computing kpt #: 261 total cpu time spent up to now is 382.5 secs Computing kpt #: 262 total cpu time spent up to now is 383.7 secs Computing kpt #: 263 total cpu time spent up to now is 385.0 secs Computing kpt #: 264 total cpu time spent up to now is 386.3 secs Computing kpt #: 265 total cpu time spent up to now is 387.7 secs Computing kpt #: 266 total cpu time spent up to now is 389.0 secs Computing kpt #: 267 total cpu time spent up to now is 390.3 secs Computing kpt #: 268 total cpu time spent up to now is 391.6 secs Computing kpt #: 269 total cpu time spent up to now is 392.8 secs Computing kpt #: 270 total cpu time spent up to now is 394.1 secs Computing kpt #: 271 total cpu time spent up to now is 395.4 secs Computing kpt #: 272 total cpu time spent up to now is 396.7 secs Computing kpt #: 273 total cpu time spent up to now is 398.0 secs Computing kpt #: 274 total cpu time spent up to now is 399.2 secs Computing kpt #: 275 total cpu time spent up to now is 400.5 secs Computing kpt #: 276 total cpu time spent up to now is 401.8 secs Computing kpt #: 277 total cpu time spent up to now is 403.0 secs Computing kpt #: 278 total cpu time spent up to now is 404.3 secs Computing kpt #: 279 total cpu time spent up to now is 405.7 secs Computing kpt #: 280 total cpu time spent up to now is 406.9 secs Computing kpt #: 281 total cpu time spent up to now is 408.2 secs Computing kpt #: 282 total cpu time spent up to now is 409.4 secs Computing kpt #: 283 total cpu time spent up to now is 410.7 secs Computing kpt #: 284 total cpu time spent up to now is 412.0 secs Computing kpt #: 285 total cpu time spent up to now is 413.3 secs Computing kpt #: 286 total cpu time spent up to now is 414.5 secs Computing kpt #: 287 total cpu time spent up to now is 415.8 secs Computing kpt #: 288 total cpu time spent up to now is 417.0 secs Computing kpt #: 289 total cpu time spent up to now is 418.3 secs Computing kpt #: 290 total cpu time spent up to now is 419.6 secs Computing kpt #: 291 total cpu time spent up to now is 420.8 secs Computing kpt #: 292 total cpu time spent up to now is 422.1 secs Computing kpt #: 293 total cpu time spent up to now is 423.3 secs Computing kpt #: 294 total cpu time spent up to now is 424.6 secs Computing kpt #: 295 total cpu time spent up to now is 425.9 secs Computing kpt #: 296 total cpu time spent up to now is 427.1 secs Computing kpt #: 297 total cpu time spent up to now is 428.4 secs Computing kpt #: 298 total cpu time spent up to now is 429.5 secs Computing kpt #: 299 total cpu time spent up to now is 430.7 secs Computing kpt #: 300 total cpu time spent up to now is 431.9 secs Computing kpt #: 301 total cpu time spent up to now is 433.1 secs Computing kpt #: 302 total cpu time spent up to now is 434.3 secs Computing kpt #: 303 total cpu time spent up to now is 435.5 secs Computing kpt #: 304 total cpu time spent up to now is 436.8 secs Computing kpt #: 305 total cpu time spent up to now is 437.9 secs Computing kpt #: 306 total cpu time spent up to now is 439.1 secs Computing kpt #: 307 total cpu time spent up to now is 440.2 secs Computing kpt #: 308 total cpu time spent up to now is 441.5 secs Computing kpt #: 309 total cpu time spent up to now is 442.8 secs Computing kpt #: 310 total cpu time spent up to now is 443.9 secs Computing kpt #: 311 total cpu time spent up to now is 445.0 secs Computing kpt #: 312 total cpu time spent up to now is 446.1 secs Computing kpt #: 313 total cpu time spent up to now is 447.4 secs Computing kpt #: 314 total cpu time spent up to now is 448.6 secs Computing kpt #: 315 total cpu time spent up to now is 449.7 secs Computing kpt #: 316 total cpu time spent up to now is 450.9 secs Computing kpt #: 317 total cpu time spent up to now is 452.0 secs Computing kpt #: 318 total cpu time spent up to now is 453.2 secs Computing kpt #: 319 total cpu time spent up to now is 454.4 secs Computing kpt #: 320 total cpu time spent up to now is 455.5 secs Computing kpt #: 321 total cpu time spent up to now is 456.6 secs Computing kpt #: 322 total cpu time spent up to now is 457.8 secs Computing kpt #: 323 total cpu time spent up to now is 459.2 secs Computing kpt #: 324 total cpu time spent up to now is 460.2 secs Computing kpt #: 325 total cpu time spent up to now is 461.3 secs Computing kpt #: 326 total cpu time spent up to now is 462.5 secs Computing kpt #: 327 total cpu time spent up to now is 463.7 secs Computing kpt #: 328 total cpu time spent up to now is 464.9 secs Computing kpt #: 329 total cpu time spent up to now is 466.0 secs Computing kpt #: 330 total cpu time spent up to now is 467.4 secs Computing kpt #: 331 total cpu time spent up to now is 468.6 secs Computing kpt #: 332 total cpu time spent up to now is 469.7 secs Computing kpt #: 333 total cpu time spent up to now is 471.0 secs Computing kpt #: 334 total cpu time spent up to now is 472.0 secs Computing kpt #: 335 total cpu time spent up to now is 473.1 secs Computing kpt #: 336 total cpu time spent up to now is 474.1 secs Computing kpt #: 337 total cpu time spent up to now is 475.2 secs Computing kpt #: 338 total cpu time spent up to now is 476.2 secs Computing kpt #: 339 total cpu time spent up to now is 477.2 secs Computing kpt #: 340 total cpu time spent up to now is 478.3 secs Computing kpt #: 341 total cpu time spent up to now is 479.6 secs Computing kpt #: 342 total cpu time spent up to now is 480.8 secs Computing kpt #: 343 total cpu time spent up to now is 481.9 secs Computing kpt #: 344 total cpu time spent up to now is 482.9 secs Computing kpt #: 345 total cpu time spent up to now is 484.1 secs Computing kpt #: 346 total cpu time spent up to now is 485.2 secs Computing kpt #: 347 total cpu time spent up to now is 486.4 secs Computing kpt #: 348 total cpu time spent up to now is 487.6 secs Computing kpt #: 349 total cpu time spent up to now is 488.7 secs Computing kpt #: 350 total cpu time spent up to now is 489.9 secs Computing kpt #: 351 total cpu time spent up to now is 491.0 secs Computing kpt #: 352 total cpu time spent up to now is 492.3 secs Computing kpt #: 353 total cpu time spent up to now is 493.7 secs Computing kpt #: 354 total cpu time spent up to now is 494.9 secs Computing kpt #: 355 total cpu time spent up to now is 496.1 secs Computing kpt #: 356 total cpu time spent up to now is 497.5 secs Computing kpt #: 357 total cpu time spent up to now is 498.7 secs Computing kpt #: 358 total cpu time spent up to now is 500.3 secs Computing kpt #: 359 total cpu time spent up to now is 501.7 secs Computing kpt #: 360 total cpu time spent up to now is 503.2 secs Computing kpt #: 361 total cpu time spent up to now is 504.8 secs Computing kpt #: 362 total cpu time spent up to now is 507.9 secs Computing kpt #: 363 total cpu time spent up to now is 509.6 secs Computing kpt #: 364 total cpu time spent up to now is 511.3 secs Computing kpt #: 365 total cpu time spent up to now is 513.1 secs Computing kpt #: 366 total cpu time spent up to now is 514.5 secs Computing kpt #: 367 total cpu time spent up to now is 515.9 secs Computing kpt #: 368 total cpu time spent up to now is 517.3 secs Computing kpt #: 369 total cpu time spent up to now is 518.7 secs Computing kpt #: 370 total cpu time spent up to now is 520.1 secs Computing kpt #: 371 total cpu time spent up to now is 521.2 secs Computing kpt #: 372 total cpu time spent up to now is 522.2 secs Computing kpt #: 373 total cpu time spent up to now is 523.2 secs Computing kpt #: 374 total cpu time spent up to now is 524.2 secs Computing kpt #: 375 total cpu time spent up to now is 525.3 secs Computing kpt #: 376 total cpu time spent up to now is 526.3 secs Computing kpt #: 377 total cpu time spent up to now is 527.3 secs Computing kpt #: 378 total cpu time spent up to now is 528.6 secs Computing kpt #: 379 total cpu time spent up to now is 529.8 secs Computing kpt #: 380 total cpu time spent up to now is 530.9 secs Computing kpt #: 381 total cpu time spent up to now is 532.1 secs Computing kpt #: 382 total cpu time spent up to now is 533.5 secs Computing kpt #: 383 total cpu time spent up to now is 534.5 secs Computing kpt #: 384 total cpu time spent up to now is 535.6 secs Computing kpt #: 385 total cpu time spent up to now is 536.8 secs Computing kpt #: 386 total cpu time spent up to now is 537.7 secs Computing kpt #: 387 total cpu time spent up to now is 539.1 secs Computing kpt #: 388 total cpu time spent up to now is 540.4 secs Computing kpt #: 389 total cpu time spent up to now is 541.6 secs Computing kpt #: 390 total cpu time spent up to now is 543.0 secs Computing kpt #: 391 total cpu time spent up to now is 544.7 secs Computing kpt #: 392 total cpu time spent up to now is 546.1 secs Computing kpt #: 393 total cpu time spent up to now is 547.6 secs Computing kpt #: 394 total cpu time spent up to now is 549.2 secs Computing kpt #: 395 total cpu time spent up to now is 551.0 secs Computing kpt #: 396 total cpu time spent up to now is 552.9 secs Computing kpt #: 397 total cpu time spent up to now is 554.6 secs Computing kpt #: 398 total cpu time spent up to now is 556.2 secs Computing kpt #: 399 total cpu time spent up to now is 557.8 secs Computing kpt #: 400 total cpu time spent up to now is 559.1 secs Computing kpt #: 401 total cpu time spent up to now is 560.3 secs Computing kpt #: 402 total cpu time spent up to now is 561.6 secs Computing kpt #: 403 total cpu time spent up to now is 563.0 secs Computing kpt #: 404 total cpu time spent up to now is 564.2 secs Computing kpt #: 405 total cpu time spent up to now is 565.4 secs Computing kpt #: 406 total cpu time spent up to now is 566.6 secs Computing kpt #: 407 total cpu time spent up to now is 567.9 secs Computing kpt #: 408 total cpu time spent up to now is 569.1 secs Computing kpt #: 409 total cpu time spent up to now is 570.2 secs Computing kpt #: 410 total cpu time spent up to now is 571.6 secs Computing kpt #: 411 total cpu time spent up to now is 572.8 secs Computing kpt #: 412 total cpu time spent up to now is 573.8 secs Computing kpt #: 413 total cpu time spent up to now is 574.9 secs Computing kpt #: 414 total cpu time spent up to now is 576.1 secs Computing kpt #: 415 total cpu time spent up to now is 577.3 secs Computing kpt #: 416 total cpu time spent up to now is 578.3 secs Computing kpt #: 417 total cpu time spent up to now is 579.3 secs Computing kpt #: 418 total cpu time spent up to now is 580.3 secs Computing kpt #: 419 total cpu time spent up to now is 581.3 secs Computing kpt #: 420 total cpu time spent up to now is 582.3 secs Computing kpt #: 421 total cpu time spent up to now is 583.6 secs Computing kpt #: 422 total cpu time spent up to now is 585.0 secs Computing kpt #: 423 total cpu time spent up to now is 586.3 secs Computing kpt #: 424 total cpu time spent up to now is 587.5 secs Computing kpt #: 425 total cpu time spent up to now is 588.9 secs Computing kpt #: 426 total cpu time spent up to now is 590.1 secs Computing kpt #: 427 total cpu time spent up to now is 591.6 secs Computing kpt #: 428 total cpu time spent up to now is 592.9 secs Computing kpt #: 429 total cpu time spent up to now is 594.1 secs Computing kpt #: 430 total cpu time spent up to now is 595.4 secs Computing kpt #: 431 total cpu time spent up to now is 596.7 secs Computing kpt #: 432 total cpu time spent up to now is 597.9 secs Computing kpt #: 433 total cpu time spent up to now is 599.1 secs Computing kpt #: 434 total cpu time spent up to now is 600.4 secs Computing kpt #: 435 total cpu time spent up to now is 601.7 secs Computing kpt #: 436 total cpu time spent up to now is 602.8 secs Computing kpt #: 437 total cpu time spent up to now is 604.0 secs Computing kpt #: 438 total cpu time spent up to now is 605.2 secs Computing kpt #: 439 total cpu time spent up to now is 606.7 secs Computing kpt #: 440 total cpu time spent up to now is 608.0 secs Computing kpt #: 441 total cpu time spent up to now is 609.3 secs Computing kpt #: 442 total cpu time spent up to now is 610.6 secs Computing kpt #: 443 total cpu time spent up to now is 611.9 secs Computing kpt #: 444 total cpu time spent up to now is 613.1 secs Computing kpt #: 445 total cpu time spent up to now is 614.4 secs Computing kpt #: 446 total cpu time spent up to now is 615.6 secs Computing kpt #: 447 total cpu time spent up to now is 616.8 secs Computing kpt #: 448 total cpu time spent up to now is 618.0 secs Computing kpt #: 449 total cpu time spent up to now is 619.2 secs Computing kpt #: 450 total cpu time spent up to now is 620.4 secs Computing kpt #: 451 total cpu time spent up to now is 621.7 secs Computing kpt #: 452 total cpu time spent up to now is 623.3 secs Computing kpt #: 453 total cpu time spent up to now is 624.8 secs Computing kpt #: 454 total cpu time spent up to now is 626.0 secs Computing kpt #: 455 total cpu time spent up to now is 627.5 secs Computing kpt #: 456 total cpu time spent up to now is 629.4 secs Computing kpt #: 457 total cpu time spent up to now is 631.0 secs Computing kpt #: 458 total cpu time spent up to now is 632.8 secs Computing kpt #: 459 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 636.0 secs Computing kpt #: 460 total cpu time spent up to now is 638.1 secs Computing kpt #: 461 total cpu time spent up to now is 639.9 secs Computing kpt #: 462 total cpu time spent up to now is 641.5 secs Computing kpt #: 463 total cpu time spent up to now is 643.1 secs Computing kpt #: 464 total cpu time spent up to now is 644.6 secs Computing kpt #: 465 total cpu time spent up to now is 646.0 secs Computing kpt #: 466 total cpu time spent up to now is 647.4 secs Computing kpt #: 467 total cpu time spent up to now is 648.7 secs Computing kpt #: 468 total cpu time spent up to now is 650.0 secs Computing kpt #: 469 total cpu time spent up to now is 651.5 secs Computing kpt #: 470 total cpu time spent up to now is 652.5 secs Computing kpt #: 471 total cpu time spent up to now is 653.9 secs Computing kpt #: 472 total cpu time spent up to now is 655.3 secs Computing kpt #: 473 total cpu time spent up to now is 656.6 secs Computing kpt #: 474 total cpu time spent up to now is 657.9 secs Computing kpt #: 475 total cpu time spent up to now is 659.2 secs Computing kpt #: 476 total cpu time spent up to now is 660.6 secs Computing kpt #: 477 total cpu time spent up to now is 662.0 secs Computing kpt #: 478 total cpu time spent up to now is 663.4 secs ethr = 2.50E-11, avg # of iterations = 25.4 total cpu time spent up to now is 663.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2741 PWs) bands (ev): -44.8910 -44.8910 -21.6634 -21.6634 -21.0880 -21.0880 -20.8567 -20.8567 -14.5088 -14.5088 -7.7831 -7.7831 -6.3325 -6.3325 -4.0841 -4.0841 -2.1320 -2.1320 0.2744 0.2744 1.1459 1.1459 5.7581 5.7581 6.0979 6.0979 8.6670 8.6670 8.7603 8.7603 8.7716 8.7716 8.8405 8.8405 11.0738 11.0738 12.9473 12.9473 13.1331 13.1331 13.1984 13.1984 13.9498 13.9498 14.0502 14.0502 14.2714 14.2714 k = 0.0089 0.0089-0.0000 ( 2745 PWs) bands (ev): -44.8910 -44.8910 -21.6635 -21.6634 -21.0881 -21.0881 -20.8567 -20.8567 -14.5086 -14.5086 -7.7825 -7.7824 -6.3327 -6.3324 -4.0857 -4.0852 -2.1319 -2.1317 0.2746 0.2750 1.1464 1.1466 5.7567 5.7609 6.0966 6.0999 8.6660 8.6661 8.7490 8.7612 8.7691 8.7722 8.8327 8.8482 11.0756 11.0761 12.9479 12.9491 13.1306 13.1368 13.1978 13.2037 13.9470 13.9484 14.0476 14.0493 14.2714 14.2716 k = 0.0178 0.0179-0.0000 ( 2745 PWs) bands (ev): -44.8909 -44.8909 -21.6636 -21.6636 -21.0883 -21.0883 -20.8567 -20.8567 -14.5080 -14.5079 -7.7807 -7.7805 -6.3331 -6.3324 -4.0901 -4.0890 -2.1315 -2.1310 0.2756 0.2766 1.1481 1.1483 5.7568 5.7652 6.0959 6.1026 8.6632 8.6632 8.7298 8.7524 8.7644 8.7678 8.8269 8.8534 11.0815 11.0826 12.9510 12.9534 13.1298 13.1412 13.2022 13.2131 13.9402 13.9430 14.0415 14.0449 14.2715 14.2718 k = 0.0267 0.0268-0.0000 ( 2737 PWs) bands (ev): -44.8909 -44.8909 -21.6638 -21.6637 -21.0886 -21.0885 -20.8568 -20.8568 -14.5069 -14.5068 -7.7776 -7.7773 -6.3337 -6.3325 -4.0971 -4.0955 -2.1308 -2.1300 0.2776 0.2789 1.1508 1.1512 5.7584 5.7709 6.0961 6.1060 8.6584 8.6585 8.7047 8.7339 8.7570 8.7595 8.8224 8.8549 11.0915 11.0931 12.9565 12.9600 13.1311 13.1464 13.2117 13.2263 13.9293 13.9335 14.0321 14.0370 14.2716 14.2722 k = 0.0356 0.0357-0.0000 ( 2729 PWs) bands (ev): -44.8909 -44.8909 -21.6641 -21.6640 -21.0890 -21.0889 -20.8568 -20.8568 -14.5054 -14.5053 -7.7733 -7.7729 -6.3343 -6.3328 -4.1068 -4.1046 -2.1296 -2.1286 0.2803 0.2821 1.1546 1.1552 5.7614 5.7781 6.0969 6.1102 8.6518 8.6520 8.6746 8.7070 8.7467 8.7487 8.8166 8.8519 11.1054 11.1076 12.9643 12.9689 13.1347 13.1527 13.2259 13.2429 13.9144 13.9200 14.0193 14.0260 14.2719 14.2726 k = 0.0445 0.0446-0.0000 ( 2729 PWs) bands (ev): -44.8909 -44.8909 -21.6645 -21.6644 -21.0896 -21.0894 -20.8569 -20.8568 -14.5034 -14.5033 -7.7678 -7.7672 -6.3351 -6.3332 -4.1191 -4.1164 -2.1282 -2.1269 0.2839 0.2860 1.1594 1.1603 5.7659 5.7867 6.0986 6.1152 8.6398 8.6434 8.6438 8.6738 8.7337 8.7353 8.8076 8.8443 11.1232 11.1260 12.9743 12.9799 13.1409 13.1605 13.2441 13.2625 13.8954 13.9025 14.0036 14.0119 14.2723 14.2732 k = 0.0534 0.0536-0.0000 ( 2725 PWs) bands (ev): -44.8909 -44.8909 -21.6649 -21.6648 -21.0902 -21.0900 -20.8569 -20.8569 -14.5011 -14.5009 -7.7610 -7.7603 -6.3361 -6.3338 -4.1338 -4.1307 -2.1264 -2.1249 0.2883 0.2907 1.1652 1.1664 5.7719 5.7968 6.1012 6.1210 8.6013 8.6329 8.6334 8.6358 8.7181 8.7195 8.7947 8.8319 11.1447 11.1480 12.9862 12.9927 13.1496 13.1703 13.2659 13.2851 13.8726 13.8810 13.9851 13.9950 14.2728 14.2739 k = 0.0623 0.0625-0.0000 ( 2727 PWs) bands (ev): -44.8908 -44.8908 -21.6655 -21.6653 -21.0910 -21.0908 -20.8570 -20.8570 -14.4983 -14.4982 -7.7529 -7.7521 -6.3371 -6.3344 -4.1511 -4.1475 -2.1242 -2.1225 0.2935 0.2960 1.1719 1.1736 5.7795 5.8084 6.1048 6.1278 8.5588 8.5930 8.6210 8.6213 8.6998 8.7012 8.7775 8.8148 11.1696 11.1734 12.9998 13.0071 13.1609 13.1821 13.2908 13.3105 13.8459 13.8558 13.9642 13.9756 14.2735 14.2748 k = 0.0712 0.0714-0.0000 ( 2723 PWs) bands (ev): -44.8908 -44.8908 -21.6661 -21.6659 -21.0919 -21.0916 -20.8571 -20.8571 -14.4952 -14.4950 -7.7437 -7.7428 -6.3382 -6.3352 -4.1707 -4.1667 -2.1217 -2.1199 0.2994 0.3020 1.1795 1.1817 5.7886 5.8216 6.1094 6.1356 8.5128 8.5467 8.6071 8.6075 8.6792 8.6804 8.7559 8.7930 11.1977 11.2021 13.0146 13.0226 13.1747 13.1963 13.3186 13.3383 13.8156 13.8267 13.9413 13.9543 14.2742 14.2757 k = 0.0801 0.0804-0.0000 ( 2723 PWs) bands (ev): -44.8908 -44.8908 -21.6669 -21.6666 -21.0929 -21.0926 -20.8573 -20.8572 -14.4917 -14.4915 -7.7332 -7.7322 -6.3395 -6.3361 -4.1926 -4.1881 -2.1189 -2.1169 0.3060 0.3086 1.1879 1.1907 5.7992 5.8363 6.1152 6.1446 8.4635 8.4969 8.5915 8.5919 8.6562 8.6575 8.7301 8.7667 11.2287 11.2337 13.0299 13.0386 13.1911 13.2127 13.3490 13.3686 13.7818 13.7941 13.9171 13.9315 14.2751 14.2768 k = 0.0890 0.0893-0.0000 ( 2719 PWs) bands (ev): -44.8907 -44.8907 -21.6677 -21.6674 -21.0940 -21.0937 -20.8574 -20.8573 -14.4878 -14.4876 -7.7215 -7.7204 -6.3408 -6.3372 -4.2166 -4.2118 -2.1158 -2.1137 0.3132 0.3156 1.1971 1.2005 5.8115 5.8525 6.1223 6.1547 8.4113 8.4439 8.5742 8.5746 8.6312 8.6324 8.7001 8.7361 11.2624 11.2678 13.0451 13.0541 13.2100 13.2315 13.3817 13.4011 13.7448 13.7582 13.8923 13.9079 14.2761 14.2781 k = 0.0979 0.0982-0.0000 ( 2718 PWs) bands (ev): -44.8907 -44.8907 -21.6685 -21.6682 -21.0951 -21.0948 -20.8575 -20.8575 -14.4836 -14.4833 -7.7086 -7.7074 -6.3423 -6.3383 -4.2427 -4.2376 -2.1124 -2.1102 0.3209 0.3232 1.2069 1.2111 5.8254 5.8704 6.1308 6.1662 8.3563 8.3880 8.5552 8.5557 8.6042 8.6053 8.6663 8.7014 11.2982 11.3042 13.0588 13.0682 13.2313 13.2525 13.4166 13.4357 13.7048 13.7191 13.8677 13.8845 14.2773 14.2795 k = 0.1068 0.1071-0.0000 ( 2714 PWs) bands (ev): -44.8906 -44.8906 -21.6694 -21.6691 -21.0964 -21.0961 -20.8577 -20.8576 -14.4791 -14.4788 -7.6945 -7.6932 -6.3438 -6.3395 -4.2708 -4.2654 -2.1087 -2.1064 0.3292 0.3312 1.2173 1.2224 5.8410 5.8897 6.1408 6.1790 8.2987 8.3295 8.5346 8.5352 8.5754 8.5765 8.6288 8.6630 11.3359 11.3424 13.0698 13.0794 13.2549 13.2757 13.4534 13.4721 13.6620 13.6770 13.8449 13.8625 14.2785 14.2810 k = 0.1157 0.1161-0.0000 ( 2722 PWs) bands (ev): -44.8906 -44.8906 -21.6705 -21.6701 -21.0978 -21.0974 -20.8579 -20.8578 -14.4742 -14.4739 -7.6793 -7.6779 -6.3454 -6.3408 -4.3007 -4.2951 -2.1048 -2.1024 0.3379 0.3395 1.2282 1.2342 5.8583 5.9107 6.1525 6.1934 8.2389 8.2686 8.5123 8.5131 8.5451 8.5461 8.5881 8.6211 11.3750 11.3820 13.0762 13.0858 13.2808 13.3012 13.4920 13.5102 13.6168 13.6321 13.8254 13.8436 14.2799 14.2827 k = 0.1246 0.1250-0.0000 ( 2726 PWs) bands (ev): -44.8906 -44.8906 -21.6716 -21.6712 -21.0993 -21.0989 -20.8581 -20.8580 -14.4691 -14.4688 -7.6628 -7.6613 -6.3471 -6.3422 -4.3323 -4.3265 -2.1005 -2.0982 0.3471 0.3481 1.2395 1.2466 5.8772 5.9333 6.1659 6.2094 8.1771 8.2056 8.4883 8.4893 8.5134 8.5142 8.5445 8.5762 11.4150 11.4225 13.0760 13.0856 13.3088 13.3287 13.5320 13.5497 13.5693 13.5846 13.8112 13.8297 14.2815 14.2845 k = 0.1335 0.1339-0.0000 ( 2726 PWs) bands (ev): -44.8905 -44.8905 -21.6727 -21.6723 -21.1009 -21.1004 -20.8583 -20.8582 -14.4637 -14.4634 -7.6452 -7.6437 -6.3488 -6.3436 -4.3655 -4.3595 -2.0961 -2.0937 0.3565 0.3569 1.2512 1.2595 5.8980 5.9574 6.1811 6.2270 8.1134 8.1408 8.4624 8.4639 8.4808 8.4808 8.4991 8.5285 11.4554 11.4634 13.0673 13.0766 13.3390 13.3583 13.5194 13.5343 13.5735 13.5907 13.8043 13.8226 14.2832 14.2865 k = 0.1424 0.1429-0.0000 ( 2718 PWs) bands (ev): -44.8904 -44.8904 -21.6738 -21.6734 -21.1024 -21.1019 -20.8584 -20.8584 -14.4581 -14.4577 -7.6265 -7.6248 -6.3505 -6.3451 -4.4002 -4.3940 -2.0914 -2.0890 0.3659 0.3662 1.2631 1.2727 5.9205 5.9831 6.1984 6.2464 8.0481 8.0742 8.4329 8.4361 8.4447 8.4479 8.4551 8.4786 11.4957 11.5042 13.0485 13.0573 13.3710 13.3899 13.4675 13.4815 13.6159 13.6326 13.8063 13.8241 14.2850 14.2887 k = 0.1513 0.1518-0.0000 ( 2718 PWs) bands (ev): -44.8904 -44.8904 -21.6751 -21.6746 -21.1041 -21.1036 -20.8586 -20.8586 -14.4523 -14.4519 -7.6066 -7.6049 -6.3523 -6.3466 -4.4362 -4.4300 -2.0864 -2.0841 0.3750 0.3761 1.2753 1.2861 5.9447 6.0103 6.2177 6.2676 7.9815 8.0063 8.3920 8.4045 8.4078 8.4162 8.4194 8.4272 11.5354 11.5444 13.0188 13.0270 13.4032 13.4147 13.4221 13.4272 13.6594 13.6755 13.8180 13.8352 14.2871 14.2910 k = 0.1602 0.1607-0.0000 ( 2722 PWs) bands (ev): -44.8903 -44.8903 -21.6764 -21.6759 -21.1059 -21.1053 -20.8589 -20.8588 -14.4463 -14.4459 -7.5856 -7.5838 -6.3541 -6.3482 -4.4735 -4.4672 -2.0813 -2.0791 0.3842 0.3862 1.2876 1.2998 5.9707 6.0389 6.2391 6.2907 7.9137 7.9371 8.3415 8.3668 8.3727 8.3768 8.3862 8.3878 11.5739 11.5833 12.9785 12.9859 13.3552 13.3670 13.4414 13.4590 13.7035 13.7192 13.8395 13.8558 14.2893 14.2936 k = 0.1691 0.1696-0.0000 ( 2720 PWs) bands (ev): -44.8902 -44.8902 -21.6777 -21.6772 -21.1077 -21.1071 -20.8591 -20.8590 -14.4401 -14.4397 -7.5636 -7.5617 -6.3559 -6.3498 -4.5119 -4.5055 -2.0760 -2.0739 0.3934 0.3963 1.3000 1.3136 5.9984 6.0690 6.2627 6.3155 7.8450 7.8671 8.2886 8.3163 8.3366 8.3366 8.3558 8.3569 11.6107 11.6205 12.9283 12.9350 13.2952 13.3054 13.4788 13.4961 13.7481 13.7634 13.8700 13.8853 14.2916 14.2964 k = 0.1780 0.1786-0.0000 ( 2714 PWs) bands (ev): -44.8902 -44.8902 -21.6790 -21.6785 -21.1095 -21.1089 -20.8593 -20.8592 -14.4338 -14.4334 -7.5404 -7.5385 -6.3577 -6.3515 -4.5513 -4.5449 -2.0706 -2.0685 0.4026 0.4065 1.3123 1.3274 6.0279 6.1005 6.2885 6.3422 7.7757 7.7963 8.2345 8.2616 8.2991 8.2997 8.3249 8.3257 11.6452 11.6554 12.8695 12.8753 13.2320 13.2407 13.5179 13.5349 13.7930 13.8080 13.9084 13.9226 14.2943 14.2995 k = 0.1869 0.1875-0.0000 ( 2718 PWs) bands (ev): -44.8901 -44.8901 -21.6804 -21.6798 -21.1114 -21.1107 -20.8595 -20.8594 -14.4273 -14.4270 -7.5162 -7.5142 -6.3595 -6.3531 -4.5916 -4.5853 -2.0649 -2.0629 0.4117 0.4166 1.3247 1.3411 6.0589 6.1333 6.3165 6.3706 7.7060 7.7252 8.1801 8.2063 8.2615 8.2622 8.2933 8.2939 11.6769 11.6875 12.8033 12.8082 13.1657 13.1730 13.5586 13.5752 13.8380 13.8526 13.9534 13.9666 14.2972 14.3030 k = 0.1958 0.1964-0.0000 ( 2722 PWs) bands (ev): -44.8900 -44.8900 -21.6818 -21.6812 -21.1134 -21.1127 -20.8598 -20.8597 -14.4208 -14.4204 -7.4910 -7.4890 -6.3613 -6.3548 -4.6327 -4.6264 -2.0592 -2.0573 0.4207 0.4267 1.3369 1.3548 6.0915 6.1672 6.3465 6.4007 7.6361 7.6541 8.1258 8.1513 8.2238 8.2246 8.2609 8.2615 11.7052 11.7162 12.7307 12.7348 13.0963 13.1023 13.6006 13.6169 13.8829 13.8972 14.0040 14.0159 14.3005 14.3070 k = 0.2047 0.2054-0.0000 ( 2714 PWs) bands (ev): -44.8900 -44.8900 -21.6832 -21.6826 -21.1153 -21.1145 -20.8600 -20.8599 -14.4143 -14.4139 -7.4648 -7.4627 -6.3630 -6.3565 -4.6746 -4.6683 -2.0533 -2.0515 0.4296 0.4366 1.3489 1.3683 6.1255 6.2021 6.3785 6.4323 7.5665 7.5832 8.0722 8.0970 8.1860 8.1868 8.2278 8.2284 11.7298 11.7411 12.6528 12.6561 13.0238 13.0287 13.6438 13.6598 13.9275 13.9414 14.0590 14.0696 14.3043 14.3117 k = 0.2136 0.2143-0.0000 ( 2718 PWs) bands (ev): -44.8899 -44.8899 -21.6847 -21.6841 -21.1173 -21.1165 -20.8602 -20.8601 -14.4077 -14.4073 -7.4376 -7.4355 -6.3647 -6.3581 -4.7171 -4.7109 -2.0473 -2.0456 0.4384 0.4464 1.3608 1.3816 6.1607 6.2379 6.4121 6.4653 7.4975 7.5131 8.0197 8.0440 8.1482 8.1490 8.1942 8.1948 11.7502 11.7618 12.5703 12.5730 12.9484 12.9523 13.6882 13.7038 13.9715 13.9849 14.1174 14.1264 14.3089 14.3176 k = 0.2225 0.2232-0.0000 ( 2714 PWs) bands (ev): -44.8898 -44.8898 -21.6861 -21.6855 -21.1192 -21.1184 -20.8605 -20.8603 -14.4010 -14.4007 -7.4094 -7.4073 -6.3664 -6.3597 -4.7601 -4.7540 -2.0412 -2.0397 0.4469 0.4560 1.3724 1.3946 6.1968 6.2743 6.4472 6.4992 7.4297 7.4442 7.9689 7.9931 8.1106 8.1114 8.1601 8.1607 11.7661 11.7778 12.4839 12.4860 12.8702 12.8731 13.7334 13.7488 14.0147 14.0274 14.1782 14.1851 14.3147 14.3255 k = 0.2314 0.2321-0.0000 ( 2714 PWs) bands (ev): -44.8898 -44.8898 -21.6876 -21.6869 -21.1212 -21.1204 -20.8607 -20.8606 -14.3944 -14.3940 -7.3804 -7.3782 -6.3681 -6.3613 -4.8035 -4.7975 -2.0350 -2.0336 0.4553 0.4654 1.3837 1.4072 6.2335 6.3108 6.4831 6.5338 7.3635 7.3772 7.9205 7.9447 8.0733 8.0740 8.1256 8.1262 11.7771 11.7891 12.3943 12.3957 12.7891 12.7912 13.7795 13.7946 14.0566 14.0684 14.2396 14.2427 14.3232 14.3378 k = 0.2403 0.2411-0.0000 ( 2720 PWs) bands (ev): -44.8897 -44.8897 -21.6891 -21.6884 -21.1233 -21.1224 -20.8609 -20.8608 -14.3878 -14.3875 -7.3504 -7.3483 -6.3697 -6.3629 -4.8473 -4.8415 -2.0288 -2.0276 0.4634 0.4745 1.3948 1.4195 6.2700 6.3469 6.5195 6.5686 7.2998 7.3131 7.8751 7.8996 8.0363 8.0370 8.0909 8.0916 11.7831 11.7951 12.3020 12.3027 12.7055 12.7067 13.8262 13.8410 14.0967 14.1074 14.2919 14.2942 14.3415 14.3619 k = 0.2492 0.2500-0.0000 ( 2712 PWs) bands (ev): -44.8896 -44.8896 -21.6905 -21.6898 -21.1252 -21.1243 -20.8611 -20.8610 -14.3813 -14.3810 -7.3196 -7.3174 -6.3712 -6.3645 -4.8915 -4.8857 -2.0226 -2.0214 0.4713 0.4833 1.4055 1.4314 6.3057 6.3818 6.5556 6.6028 7.2396 7.2528 7.8336 7.8588 7.9998 8.0005 8.0560 8.0568 11.7837 11.7958 12.2076 12.2077 12.6193 12.6198 13.8733 13.8878 14.1345 14.1436 14.3227 14.3229 14.3888 14.4077 k = 0.2581 0.2589-0.0000 ( 2708 PWs) bands (ev): -44.8895 -44.8895 -21.6920 -21.6912 -21.1272 -21.1263 -20.8613 -20.8612 -14.3749 -14.3745 -7.2879 -7.2858 -6.3727 -6.3660 -4.9358 -4.9302 -2.0163 -2.0153 0.4789 0.4919 1.4159 1.4428 6.3393 6.4140 6.5906 6.6359 7.1842 7.1981 7.7968 7.8230 7.9639 7.9646 8.0211 8.0219 11.7786 11.7905 12.1113 12.1119 12.5304 12.5307 13.9207 13.9347 14.1690 14.1763 14.3392 14.3435 14.4518 14.4672 k = 0.2670 0.2679-0.0000 ( 2704 PWs) bands (ev): -44.8894 -44.8894 -21.6934 -21.6927 -21.1291 -21.1282 -20.8615 -20.8614 -14.3685 -14.3682 -7.2555 -7.2534 -6.3741 -6.3675 -4.9803 -4.9749 -2.0100 -2.0091 0.4863 0.5001 1.4259 1.4538 6.3692 6.4417 6.6236 6.6667 7.1355 7.1509 7.7659 7.7934 7.9287 7.9293 7.9862 7.9872 11.7669 11.7783 12.0149 12.0165 12.4387 12.4397 13.9679 13.9815 14.1995 14.2045 14.3563 14.3641 14.5179 14.5311 k = 0.2759 0.2768-0.0000 ( 2704 PWs) bands (ev): -44.8894 -44.8894 -21.6948 -21.6941 -21.1311 -21.1301 -20.8618 -20.8616 -14.3623 -14.3620 -7.2223 -7.2202 -6.3754 -6.3689 -5.0250 -5.0197 -2.0037 -2.0030 0.4934 0.5079 1.4356 1.4643 6.3933 6.4622 6.6539 6.6942 7.0958 7.1138 7.7419 7.7711 7.8942 7.8947 7.9515 7.9527 11.7462 11.7563 11.9212 11.9248 12.3449 12.3466 14.0146 14.0276 14.2254 14.2280 14.3770 14.3875 14.5843 14.5962 k = 0.2848 0.2857-0.0000 ( 2710 PWs) bands (ev): -44.8893 -44.8893 -21.6963 -21.6955 -21.1330 -21.1321 -20.8620 -20.8618 -14.3562 -14.3559 -7.1884 -7.1864 -6.3766 -6.3703 -5.0697 -5.0646 -1.9975 -1.9969 0.5003 0.5154 1.4449 1.4743 6.4090 6.4725 6.6809 6.7173 7.0681 7.0894 7.7261 7.7572 7.8605 7.8610 7.9172 7.9186 11.7091 11.7159 11.8383 11.8456 12.2490 12.2515 14.0602 14.0724 14.2473 14.2476 14.4018 14.4142 14.6503 14.6611 k = 0.2937 0.2946-0.0000 ( 2710 PWs) bands (ev): -44.8892 -44.8892 -21.6977 -21.6969 -21.1349 -21.1340 -20.8622 -20.8620 -14.3503 -14.3499 -7.1539 -7.1518 -6.3778 -6.3716 -5.1144 -5.1095 -1.9914 -1.9908 0.5069 0.5226 1.4538 1.4838 6.4140 6.4703 6.7039 6.7350 7.0548 7.0797 7.7195 7.7526 7.8277 7.8281 7.8833 7.8852 11.6436 11.6466 11.7786 11.7903 12.1511 12.1545 14.1040 14.1149 14.2649 14.2669 14.4298 14.4436 14.7153 14.7252 k = 0.3026 0.3036-0.0000 ( 2706 PWs) bands (ev): -44.8892 -44.8892 -21.6990 -21.6983 -21.1367 -21.1358 -20.8624 -20.8622 -14.3445 -14.3442 -7.1187 -7.1167 -6.3789 -6.3729 -5.1591 -5.1544 -1.9853 -1.9849 0.5132 0.5294 1.4624 1.4928 6.4070 6.4550 6.7224 6.7465 7.0575 7.0851 7.7229 7.7579 7.7959 7.7962 7.8504 7.8529 11.5541 11.5558 11.7381 11.7520 12.0513 12.0559 14.1444 14.1534 14.2821 14.2866 14.4600 14.4746 14.7788 14.7880 k = 0.3115 0.3125-0.0000 ( 2702 PWs) bands (ev): -44.8891 -44.8891 -21.7003 -21.6996 -21.1385 -21.1376 -20.8626 -20.8624 -14.3389 -14.3386 -7.0829 -7.0810 -6.3799 -6.3741 -5.2037 -5.1992 -1.9792 -1.9789 0.5193 0.5358 1.4706 1.5012 6.3883 6.4281 6.7352 6.7519 7.0754 7.1047 7.7354 7.7644 7.7653 7.7731 7.8197 7.8230 11.4543 11.4557 11.7037 11.7190 11.9499 11.9560 14.1793 14.1857 14.3023 14.3097 14.4913 14.5065 14.8405 14.8491 k = 0.3204 0.3214-0.0000 ( 2692 PWs) bands (ev): -44.8890 -44.8890 -21.7016 -21.7008 -21.1402 -21.1393 -20.8627 -20.8625 -14.3335 -14.3332 -7.0465 -7.0447 -6.3809 -6.3752 -5.2482 -5.2439 -1.9733 -1.9731 0.5251 0.5419 1.4784 1.5091 6.3598 6.3925 6.7417 6.7515 7.1066 7.1366 7.7351 7.7354 7.7503 7.7763 7.8028 7.8110 11.3502 11.3517 11.6692 11.6863 11.8472 11.8555 14.2065 14.2102 14.3280 14.3384 14.5229 14.5384 14.9003 14.9083 k = 0.3294 0.3304-0.0000 ( 2696 PWs) bands (ev): -44.8889 -44.8889 -21.7028 -21.7021 -21.1419 -21.1410 -20.8629 -20.8627 -14.3283 -14.3280 -7.0097 -7.0080 -6.3817 -6.3764 -5.2925 -5.2885 -1.9676 -1.9675 0.5306 0.5476 1.4859 1.5165 6.3241 6.3509 6.7417 6.7458 7.1486 7.1784 7.7065 7.7067 7.7412 7.7495 7.8179 7.8438 11.2440 11.2459 11.6312 11.6518 11.7442 11.7565 14.2256 14.2272 14.3599 14.3726 14.5543 14.5700 14.9578 14.9652 k = 0.3383 0.3393-0.0000 ( 2696 PWs) bands (ev): -44.8889 -44.8889 -21.7040 -21.7033 -21.1435 -21.1426 -20.8631 -20.8629 -14.3233 -14.3230 -6.9725 -6.9709 -6.3825 -6.3774 -5.3366 -5.3329 -1.9620 -1.9619 0.5359 0.5529 1.4930 1.5234 6.2835 6.3058 6.7356 6.7359 7.1990 7.2282 7.6791 7.6792 7.7158 7.7199 7.8602 7.8899 11.1369 11.1390 11.5818 11.6070 11.6490 11.6668 14.2384 14.2389 14.3964 14.4105 14.5849 14.6008 15.0129 15.0198 k = 0.3472 0.3482-0.0000 ( 2700 PWs) bands (ev): -44.8888 -44.8888 -21.7052 -21.7045 -21.1451 -21.1442 -20.8632 -20.8631 -14.3185 -14.3183 -6.9348 -6.9334 -6.3832 -6.3784 -5.3806 -5.3770 -1.9566 -1.9565 0.5410 0.5578 1.4998 1.5297 6.2402 6.2589 6.7218 6.7251 7.2559 7.2843 7.6529 7.6530 7.6881 7.6908 7.9147 7.9449 11.0292 11.0316 11.5047 11.5187 11.5953 11.6026 14.2470 14.2472 14.4352 14.4501 14.6146 14.6307 15.0654 15.0718 k = 0.3561 0.3571-0.0000 ( 2708 PWs) bands (ev): -44.8888 -44.8888 -21.7064 -21.7057 -21.1466 -21.1458 -20.8634 -20.8633 -14.3140 -14.3138 -6.8969 -6.8956 -6.3839 -6.3794 -5.4242 -5.4209 -1.9514 -1.9513 0.5458 0.5624 1.5062 1.5356 6.1957 6.2115 6.7051 6.7106 7.3178 7.3453 7.6279 7.6280 7.6606 7.6627 7.9780 8.0076 10.9214 10.9241 11.4061 11.4124 11.5580 11.5583 14.2530 14.2535 14.4748 14.4901 14.6432 14.6594 15.1152 15.1212 k = 0.3650 0.3661-0.0000 ( 2704 PWs) bands (ev): -44.8887 -44.8887 -21.7074 -21.7068 -21.1481 -21.1472 -20.8635 -20.8634 -14.3097 -14.3095 -6.8587 -6.8576 -6.3844 -6.3803 -5.4675 -5.4645 -1.9464 -1.9463 0.5504 0.5666 1.5123 1.5409 6.1510 6.1645 6.6865 6.6934 7.3836 7.4102 7.6043 7.6043 7.6341 7.6359 8.0484 8.0770 10.8139 10.8169 11.3001 11.3029 11.5202 11.5226 14.2576 14.2582 14.5141 14.5298 14.6704 14.6868 15.1622 15.1678 k = 0.3739 0.3750-0.0000 ( 2706 PWs) bands (ev): -44.8887 -44.8887 -21.7084 -21.7078 -21.1494 -21.1486 -20.8637 -20.8635 -14.3057 -14.3055 -6.8203 -6.8194 -6.3848 -6.3812 -5.5105 -5.5077 -1.9416 -1.9414 0.5547 0.5705 1.5181 1.5457 6.1070 6.1186 6.6667 6.6744 7.4520 7.4777 7.5821 7.5822 7.6089 7.6110 8.1248 8.1521 10.7069 10.7102 11.1910 11.1918 11.4845 11.4881 14.2612 14.2619 14.5525 14.5685 14.6962 14.7128 15.2064 15.2116 k = 0.3828 0.3839-0.0000 ( 2702 PWs) bands (ev): -44.8886 -44.8886 -21.7093 -21.7087 -21.1507 -21.1499 -20.8638 -20.8637 -14.3019 -14.3018 -6.7818 -6.7811 -6.3852 -6.3820 -5.5531 -5.5505 -1.9371 -1.9369 0.5588 0.5740 1.5236 1.5501 6.0644 6.0744 6.6464 6.6545 7.5197 7.5428 7.5614 7.5640 7.5874 7.5903 8.2064 8.2323 10.6007 10.6044 11.0796 11.0801 11.4503 11.4544 14.2642 14.2648 14.5895 14.6058 14.7205 14.7373 15.2477 15.2525 k = 0.3917 0.3929-0.0000 ( 2704 PWs) bands (ev): -44.8886 -44.8886 -21.7102 -21.7097 -21.1519 -21.1511 -20.8639 -20.8638 -14.2984 -14.2983 -6.7434 -6.7429 -6.3855 -6.3828 -5.5951 -5.5928 -1.9328 -1.9325 0.5626 0.5772 1.5288 1.5540 6.0235 6.0323 6.6262 6.6343 7.5399 7.5409 7.5522 7.5587 7.6094 7.6257 8.2925 8.3169 10.4958 10.4997 10.9664 10.9680 11.4176 11.4218 14.2666 14.2673 14.6249 14.6415 14.7432 14.7603 15.2861 15.2905 k = 0.4006 0.4018-0.0000 ( 2700 PWs) bands (ev): -44.8885 -44.8885 -21.7110 -21.7105 -21.1529 -21.1523 -20.8640 -20.8639 -14.2952 -14.2951 -6.7050 -6.7048 -6.3857 -6.3835 -5.6366 -5.6345 -1.9288 -1.9285 0.5662 0.5800 1.5336 1.5574 5.9849 5.9925 6.6063 6.6144 7.5221 7.5232 7.5359 7.5385 7.6789 7.6979 8.3825 8.4055 10.3924 10.3966 10.8525 10.8550 11.3864 11.3906 14.2687 14.2693 14.6584 14.6754 14.7642 14.7816 15.3215 15.3255 k = 0.4095 0.4107-0.0000 ( 2700 PWs) bands (ev): -44.8885 -44.8885 -21.7118 -21.7113 -21.1539 -21.1533 -20.8641 -20.8640 -14.2922 -14.2921 -6.6671 -6.6669 -6.3859 -6.3842 -5.6774 -5.6756 -1.9250 -1.9248 0.5696 0.5825 1.5382 1.5604 5.9488 5.9554 6.5873 6.5950 7.5054 7.5067 7.5170 7.5190 7.7534 7.7719 8.4759 8.4975 10.2911 10.2956 10.7380 10.7412 11.3571 11.3611 14.2705 14.2710 14.6898 14.7071 14.7835 14.8012 15.3540 15.3576 k = 0.4184 0.4196-0.0000 ( 2694 PWs) bands (ev): -44.8884 -44.8884 -21.7124 -21.7120 -21.1548 -21.1542 -20.8642 -20.8641 -14.2895 -14.2894 -6.6298 -6.6293 -6.3859 -6.3849 -5.7173 -5.7158 -1.9216 -1.9213 0.5727 0.5847 1.5424 1.5629 5.9155 5.9212 6.5695 6.5767 7.4900 7.4915 7.4991 7.5012 7.8288 7.8463 8.5724 8.5925 10.1924 10.1971 10.6231 10.6270 11.3297 11.3335 14.2720 14.2725 14.7189 14.7366 14.8009 14.8190 15.3834 15.3867 k = 0.4273 0.4286-0.0000 ( 2696 PWs) bands (ev): -44.8884 -44.8884 -21.7131 -21.7126 -21.1557 -21.1551 -20.8643 -20.8642 -14.2871 -14.2870 -6.5933 -6.5924 -6.3859 -6.3855 -5.7562 -5.7549 -1.9185 -1.9182 0.5756 0.5865 1.5464 1.5650 5.8851 5.8900 6.5530 6.5596 7.4759 7.4779 7.4828 7.4851 7.9036 7.9198 8.6715 8.6903 10.0971 10.1020 10.5078 10.5125 11.3045 11.3080 14.2732 14.2737 14.7455 14.7636 14.8165 14.8349 15.4099 15.4127 k = 0.4362 0.4375-0.0000 ( 2704 PWs) bands (ev): -44.8884 -44.8884 -21.7136 -21.7133 -21.1564 -21.1560 -20.8644 -20.8643 -14.2850 -14.2849 -6.5579 -6.5564 -6.3861 -6.3857 -5.7938 -5.7928 -1.9157 -1.9154 0.5783 0.5881 1.5501 1.5667 5.8579 5.8621 6.5381 6.5441 7.4631 7.4655 7.4684 7.4710 7.9768 7.9917 8.7729 8.7904 10.0060 10.0110 10.3925 10.3977 11.2818 11.2850 14.2743 14.2747 14.7696 14.7880 14.8303 14.8490 15.4333 15.4358 k = 0.4451 0.4464-0.0000 ( 2704 PWs) bands (ev): -44.8883 -44.8883 -21.7141 -21.7138 -21.1571 -21.1567 -20.8644 -20.8644 -14.2831 -14.2830 -6.5240 -6.5219 -6.3867 -6.3854 -5.8296 -5.8289 -1.9132 -1.9130 0.5807 0.5893 1.5534 1.5679 5.8340 5.8375 6.5249 6.5301 7.4516 7.4540 7.4565 7.4590 8.0472 8.0607 8.8764 8.8926 9.9203 9.9253 10.2772 10.2831 11.2617 11.2645 14.2753 14.2756 14.7910 14.8097 14.8421 14.8611 15.4537 15.4558 k = 0.4540 0.4554-0.0000 ( 2696 PWs) bands (ev): -44.8883 -44.8883 -21.7145 -21.7142 -21.1576 -21.1572 -20.8644 -20.8644 -14.2815 -14.2814 -6.4923 -6.4893 -6.3873 -6.3849 -5.8632 -5.8626 -1.9111 -1.9109 0.5829 0.5902 1.5565 1.5688 5.8135 5.8164 6.5135 6.5180 7.4415 7.4433 7.4471 7.4490 8.1134 8.1252 8.9816 8.9966 9.8414 9.8462 10.1622 10.1688 11.2444 11.2468 14.2760 14.2763 14.8097 14.8285 14.8521 14.8711 15.4710 15.4728 k = 0.4629 0.4643-0.0000 ( 2692 PWs) bands (ev): -44.8883 -44.8883 -21.7148 -21.7146 -21.1580 -21.1577 -20.8645 -20.8644 -14.2802 -14.2801 -6.4635 -6.4594 -6.3878 -6.3841 -5.8937 -5.8934 -1.9093 -1.9092 0.5849 0.5908 1.5592 1.5692 5.7965 5.7988 6.5041 6.5078 7.4329 7.4342 7.4396 7.4409 8.1735 8.1834 9.0881 9.1019 9.7710 9.7756 10.0479 10.0552 11.2300 11.2319 14.2767 14.2769 14.8256 14.8441 14.8604 14.8790 15.4854 15.4868 k = 0.4718 0.4732-0.0000 ( 2696 PWs) bands (ev): -44.8883 -44.8883 -21.7151 -21.7149 -21.1584 -21.1581 -20.8645 -20.8645 -14.2791 -14.2791 -6.4390 -6.4336 -6.3882 -6.3829 -5.9202 -5.9200 -1.9079 -1.9078 0.5865 0.5911 1.5616 1.5693 5.7832 5.7849 6.4967 6.4996 7.4261 7.4269 7.4337 7.4347 8.2252 8.2332 9.1954 9.2080 9.7113 9.7153 9.9349 9.9429 11.2186 11.2200 14.2772 14.2773 14.8388 14.8555 14.8678 14.8847 15.4967 15.4978 k = 0.4807 0.4821-0.0000 ( 2696 PWs) bands (ev): -44.8883 -44.8883 -21.7152 -21.7151 -21.1586 -21.1585 -20.8645 -20.8645 -14.2784 -14.2783 -6.4201 -6.4134 -6.3879 -6.3813 -5.9413 -5.9412 -1.9069 -1.9068 0.5880 0.5911 1.5638 1.5691 5.7735 5.7746 6.4915 6.4934 7.4210 7.4216 7.4295 7.4301 8.2662 8.2718 9.3023 9.3136 9.6641 9.6674 9.8251 9.8336 11.2103 11.2113 14.2775 14.2776 14.8492 14.8620 14.8751 14.8880 15.5049 15.5057 k = 0.4896 0.4911-0.0000 ( 2700 PWs) bands (ev): -44.8883 -44.8883 -21.7154 -21.7153 -21.1588 -21.1587 -20.8645 -20.8645 -14.2779 -14.2779 -6.4078 -6.4021 -6.3854 -6.3798 -5.9555 -5.9555 -1.9063 -1.9062 0.5892 0.5908 1.5655 1.5684 5.7675 5.7681 6.4883 6.4894 7.4179 7.4182 7.4269 7.4272 8.2938 8.2970 9.4053 9.4146 9.6293 9.6313 9.7256 9.7336 11.2051 11.2057 14.2778 14.2778 14.8569 14.8641 14.8817 14.8890 15.5102 15.5106 k = 0.4985 0.5000-0.0000 ( 2700 PWs) bands (ev): -44.8883 -44.8883 -21.7154 -21.7154 -21.1588 -21.1588 -20.8645 -20.8645 -14.2777 -14.2777 -6.4016 -6.4006 -6.3811 -6.3802 -5.9615 -5.9615 -1.9060 -1.9060 0.5901 0.5903 1.5670 1.5674 5.7652 5.7653 6.4873 6.4875 7.4167 7.4167 7.4260 7.4260 8.3061 8.3066 9.4822 9.4847 9.6003 9.6006 9.6714 9.6730 11.2032 11.2033 14.2779 14.2779 14.8618 14.8629 14.8864 14.8875 15.5124 15.5124 k = 0.4985 0.5000-0.0000 ( 2700 PWs) bands (ev): -44.8883 -44.8883 -21.7154 -21.7154 -21.1588 -21.1588 -20.8645 -20.8645 -14.2777 -14.2777 -6.4016 -6.4006 -6.3811 -6.3802 -5.9615 -5.9615 -1.9060 -1.9060 0.5901 0.5903 1.5670 1.5674 5.7652 5.7653 6.4873 6.4875 7.4167 7.4167 7.4260 7.4260 8.3061 8.3066 9.4822 9.4847 9.6003 9.6006 9.6714 9.6730 11.2032 11.2033 14.2779 14.2779 14.8618 14.8629 14.8864 14.8875 15.5124 15.5124 k = 0.4860 0.5000-0.0000 ( 2699 PWs) bands (ev): -44.8883 -44.8883 -21.7154 -21.7153 -21.1588 -21.1587 -20.8645 -20.8645 -14.2779 -14.2779 -6.4071 -6.4030 -6.3840 -6.3799 -5.9560 -5.9560 -1.9062 -1.9062 0.5894 0.5906 1.5659 1.5681 5.7673 5.7678 6.4883 6.4891 7.4177 7.4179 7.4270 7.4272 8.2952 8.2975 9.4128 9.4199 9.6246 9.6260 9.7239 9.7299 11.2050 11.2054 14.2777 14.2778 14.8579 14.8632 14.8830 14.8883 15.5105 15.5108 k = 0.4736 0.5000-0.0000 ( 2699 PWs) bands (ev): -44.8883 -44.8883 -21.7153 -21.7152 -21.1586 -21.1585 -20.8645 -20.8645 -14.2783 -14.2783 -6.4181 -6.4128 -6.3875 -6.3822 -5.9423 -5.9423 -1.9068 -1.9068 0.5884 0.5907 1.5645 1.5684 5.7731 5.7739 6.4914 6.4928 7.4204 7.4208 7.4298 7.4302 8.2682 8.2723 9.3246 9.3332 9.6330 9.6343 9.8359 9.8413 11.2099 11.2106 14.2774 14.2775 14.8507 14.8591 14.8791 14.8875 15.5057 15.5062 k = 0.4611 0.5000-0.0000 ( 2701 PWs) bands (ev): -44.8883 -44.8883 -21.7151 -21.7150 -21.1584 -21.1582 -20.8645 -20.8645 -14.2791 -14.2790 -6.4338 -6.4285 -6.3920 -6.3869 -5.9214 -5.9213 -1.9078 -1.9077 0.5872 0.5905 1.5628 1.5683 5.7824 5.7836 6.4967 6.4987 7.4246 7.4251 7.4346 7.4352 8.2252 8.2307 9.2450 9.2546 9.6370 9.6380 9.9645 9.9690 11.2179 11.2189 14.2770 14.2771 14.8393 14.8483 14.8770 14.8860 15.4981 15.4989 k = 0.4486 0.5000-0.0000 ( 2706 PWs) bands (ev): -44.8883 -44.8883 -21.7149 -21.7147 -21.1581 -21.1579 -20.8645 -20.8645 -14.2800 -14.2800 -6.4531 -6.4483 -6.3982 -6.3937 -5.8944 -5.8943 -1.9092 -1.9090 0.5857 0.5900 1.5607 1.5679 5.7949 5.7966 6.5043 6.5068 7.4301 7.4307 7.4416 7.4422 8.1667 8.1732 9.1785 9.1886 9.6405 9.6414 10.1000 10.1038 11.2289 11.2303 14.2763 14.2765 14.8231 14.8313 14.8763 14.8846 15.4877 15.4888 k = 0.4362 0.5000-0.0000 ( 2702 PWs) bands (ev): -44.8883 -44.8883 -21.7145 -21.7143 -21.1576 -21.1574 -20.8645 -20.8644 -14.2813 -14.2813 -6.4750 -6.4708 -6.4062 -6.4023 -5.8626 -5.8624 -1.9108 -1.9107 0.5839 0.5892 1.5582 1.5671 5.8105 5.8126 6.5144 6.5175 7.4369 7.4374 7.4508 7.4515 8.0940 8.1012 9.1258 9.1362 9.6444 9.6453 10.2399 10.2429 11.2430 11.2446 14.2755 14.2757 14.8021 14.8092 14.8762 14.8835 15.4747 15.4760 k = 0.4237 0.5000-0.0000 ( 2704 PWs) bands (ev): -44.8883 -44.8883 -21.7141 -21.7139 -21.1571 -21.1568 -20.8644 -20.8644 -14.2828 -14.2828 -6.4989 -6.4951 -6.4160 -6.4126 -5.8269 -5.8266 -1.9129 -1.9127 0.5819 0.5880 1.5554 1.5658 5.8287 5.8313 6.5274 6.5310 7.4447 7.4452 7.4622 7.4628 8.0094 8.0169 9.0859 9.0963 9.6490 9.6498 10.3824 10.3849 11.2600 11.2619 14.2745 14.2747 14.7763 14.7825 14.8764 14.8827 15.4591 15.4606 k = 0.4112 0.5000-0.0000 ( 2706 PWs) bands (ev): -44.8884 -44.8884 -21.7137 -21.7134 -21.1565 -21.1562 -20.8644 -20.8643 -14.2846 -14.2845 -6.5238 -6.5204 -6.4275 -6.4246 -5.7880 -5.7877 -1.9153 -1.9151 0.5794 0.5865 1.5522 1.5642 5.8490 5.8522 6.5435 6.5475 7.4537 7.4542 7.4757 7.4762 7.9153 7.9228 9.0571 9.0672 9.6542 9.6551 10.5267 10.5286 11.2799 11.2820 14.2733 14.2736 14.7462 14.7515 14.8766 14.8821 15.4411 15.4428 k = 0.3988 0.5000-0.0000 ( 2702 PWs) bands (ev): -44.8884 -44.8884 -21.7131 -21.7129 -21.1558 -21.1554 -20.8643 -20.8642 -14.2865 -14.2865 -6.5494 -6.5464 -6.4405 -6.4380 -5.7466 -5.7462 -1.9179 -1.9177 0.5767 0.5847 1.5485 1.5620 5.8710 5.8748 6.5631 6.5675 7.4639 7.4642 7.4910 7.4915 7.8146 7.8218 9.0375 9.0472 9.6601 9.6610 10.6719 10.6733 11.3025 11.3049 14.2720 14.2723 14.7120 14.7166 14.8769 14.8817 15.4208 15.4227 k = 0.3863 0.5000-0.0000 ( 2704 PWs) bands (ev): -44.8884 -44.8884 -21.7126 -21.7123 -21.1550 -21.1546 -20.8642 -20.8642 -14.2888 -14.2887 -6.5752 -6.5725 -6.4550 -6.4529 -5.7031 -5.7026 -1.9209 -1.9207 0.5736 0.5824 1.5444 1.5594 5.8940 5.8984 6.5866 6.5912 7.4751 7.4754 7.5078 7.5084 7.7097 7.7164 9.0251 9.0344 9.6668 9.6678 10.8173 10.8183 11.3279 11.3304 14.2705 14.2708 14.6741 14.6781 14.8771 14.8815 15.3983 15.4005 k = 0.3739 0.5000-0.0000 ( 2699 PWs) bands (ev): -44.8885 -44.8885 -21.7119 -21.7116 -21.1541 -21.1537 -20.8641 -20.8640 -14.2912 -14.2911 -6.6010 -6.5985 -6.4709 -6.4691 -5.6578 -5.6572 -1.9242 -1.9240 0.5701 0.5798 1.5399 1.5562 5.9174 5.9226 6.6143 6.6192 7.4874 7.4876 7.5244 7.5255 7.6044 7.6100 9.0185 9.0272 9.6742 9.6752 10.9625 10.9630 11.3559 11.3584 14.2688 14.2691 14.6328 14.6363 14.8774 14.8813 15.3739 15.3763 k = 0.3614 0.5000-0.0000 ( 2698 PWs) bands (ev): -44.8885 -44.8885 -21.7113 -21.7109 -21.1532 -21.1527 -20.8640 -20.8639 -14.2938 -14.2937 -6.6265 -6.6243 -6.4880 -6.4865 -5.6109 -5.6103 -1.9278 -1.9275 0.5662 0.5767 1.5347 1.5524 5.9406 5.9466 6.6467 6.6518 7.4844 7.4912 7.5018 7.5025 7.5546 7.5546 9.0164 9.0247 9.6823 9.6834 11.1066 11.1070 11.3866 11.3889 14.2669 14.2672 14.5886 14.5917 14.8777 14.8811 15.3478 15.3504 k = 0.3489 0.5000-0.0000 ( 2699 PWs) bands (ev): -44.8885 -44.8885 -21.7105 -21.7102 -21.1522 -21.1517 -20.8639 -20.8638 -14.2965 -14.2964 -6.6517 -6.6497 -6.5062 -6.5050 -5.5628 -5.5621 -1.9316 -1.9313 0.5619 0.5732 1.5291 1.5480 5.9631 5.9699 6.6840 6.6892 7.3803 7.3860 7.5153 7.5157 7.5736 7.5736 9.0179 9.0257 9.6912 9.6922 11.2484 11.2501 11.4202 11.4216 14.2647 14.2651 14.5418 14.5444 14.8779 14.8811 15.3201 15.3230 k = 0.3365 0.5000-0.0000 ( 2704 PWs) bands (ev): -44.8886 -44.8886 -21.7098 -21.7094 -21.1511 -21.1506 -20.8638 -20.8638 -14.2994 -14.2994 -6.6763 -6.6745 -6.5253 -6.5244 -5.5137 -5.5129 -1.9356 -1.9353 0.5572 0.5691 1.5229 1.5429 5.9844 5.9921 6.7263 6.7317 7.2736 7.2784 7.5306 7.5309 7.5967 7.5968 9.0223 9.0297 9.7007 9.7018 11.3849 11.3913 11.4569 11.4597 14.2622 14.2625 14.4929 14.4952 14.8781 14.8810 15.2912 15.2942 k = 0.3240 0.5000-0.0000 ( 2705 PWs) bands (ev): -44.8886 -44.8886 -21.7090 -21.7086 -21.1500 -21.1494 -20.8637 -20.8636 -14.3025 -14.3024 -6.7004 -6.6988 -6.5453 -6.5445 -5.4637 -5.4629 -1.9399 -1.9395 0.5520 0.5646 1.5160 1.5370 6.0041 6.0127 6.7737 6.7794 7.1687 7.1725 7.5468 7.5470 7.6215 7.6217 9.0291 9.0361 9.7108 9.7119 11.4777 11.4914 11.5331 11.5428 14.2591 14.2593 14.4426 14.4445 14.8783 14.8809 15.2613 15.2645 k = 0.3115 0.5000-0.0000 ( 2711 PWs) bands (ev): -44.8887 -44.8887 -21.7082 -21.7078 -21.1488 -21.1483 -20.8636 -20.8635 -14.3057 -14.3056 -6.7238 -6.7224 -6.5660 -6.5654 -5.4129 -5.4121 -1.9443 -1.9439 0.5464 0.5596 1.5085 1.5304 6.0219 6.0316 6.8256 6.8321 7.0670 7.0692 7.5638 7.5640 7.6477 7.6478 9.0378 9.0445 9.7215 9.7226 11.5223 11.5308 11.6693 11.6734 14.2547 14.2547 14.3919 14.3933 14.8785 14.8809 15.2306 15.2340 k = 0.2991 0.5000-0.0000 ( 2711 PWs) bands (ev): -44.8887 -44.8887 -21.7074 -21.7069 -21.1476 -21.1470 -20.8635 -20.8634 -14.3089 -14.3088 -6.7465 -6.7452 -6.5871 -6.5867 -5.3617 -5.3608 -1.9489 -1.9485 0.5404 0.5540 1.5003 1.5231 6.0379 6.0485 6.8787 6.8894 6.9693 6.9722 7.5814 7.5816 7.6749 7.6750 9.0481 9.0545 9.7326 9.7339 11.5637 11.5711 11.8034 11.8062 14.2467 14.2472 14.3433 14.3438 14.8787 14.8808 15.1994 15.2030 k = 0.2866 0.5000-0.0000 ( 2717 PWs) bands (ev): -44.8888 -44.8888 -21.7066 -21.7061 -21.1464 -21.1458 -20.8633 -20.8632 -14.3123 -14.3122 -6.7686 -6.7674 -6.6087 -6.6085 -5.3100 -5.3092 -1.9536 -1.9532 0.5339 0.5480 1.4914 1.5149 6.0518 6.0635 6.8612 6.8711 6.9531 6.9561 7.5997 7.5999 7.7029 7.7030 9.0598 9.0658 9.7443 9.7456 11.6056 11.6127 11.9345 11.9366 14.2290 14.2306 14.3027 14.3033 14.8788 14.8807 15.1681 15.1718 k = 0.2742 0.5000-0.0000 ( 2711 PWs) bands (ev): -44.8888 -44.8888 -21.7057 -21.7052 -21.1451 -21.1445 -20.8631 -20.8630 -14.3157 -14.3156 -6.7898 -6.7888 -6.6305 -6.6304 -5.2582 -5.2574 -1.9584 -1.9580 0.5269 0.5414 1.4819 1.5059 6.0639 6.0766 6.7739 6.7787 7.0180 7.0191 7.6186 7.6187 7.7317 7.7318 9.0724 9.0781 9.7563 9.7576 11.6486 11.6556 12.0620 12.0637 14.1931 14.1953 14.2795 14.2810 14.8788 14.8806 15.1368 15.1408 k = 0.2617 0.5000-0.0000 ( 2714 PWs) bands (ev): -44.8889 -44.8889 -21.7048 -21.7044 -21.1438 -21.1432 -20.8630 -20.8629 -14.3191 -14.3190 -6.8103 -6.8094 -6.6524 -6.6524 -5.2064 -5.2055 -1.9634 -1.9629 0.5196 0.5343 1.4716 1.4960 6.0741 6.0878 6.6873 6.6902 7.0872 7.0891 7.6379 7.6380 7.7611 7.7612 9.0860 9.0914 9.7686 9.7699 11.6925 11.6994 12.1855 12.1869 14.1444 14.1464 14.2695 14.2712 14.8788 14.8805 15.1061 15.1102 k = 0.2492 0.5000-0.0000 ( 2716 PWs) bands (ev): -44.8889 -44.8889 -21.7040 -21.7035 -21.1425 -21.1419 -20.8628 -20.8627 -14.3226 -14.3225 -6.8300 -6.8293 -6.6744 -6.6742 -5.1547 -5.1539 -1.9683 -1.9679 0.5118 0.5267 1.4607 1.4854 6.0826 6.0975 6.6048 6.6061 7.1601 7.1623 7.6575 7.6576 7.7908 7.7909 9.1002 9.1053 9.7811 9.7824 11.7372 11.7441 12.3047 12.3059 14.0911 14.0929 14.2644 14.2660 14.8788 14.8802 15.0760 15.0803 k = 0.2368 0.5000-0.0000 ( 2714 PWs) bands (ev): -44.8890 -44.8890 -21.7031 -21.7026 -21.1411 -21.1405 -20.8626 -20.8625 -14.3260 -14.3259 -6.8490 -6.8483 -6.6961 -6.6959 -5.1034 -5.1026 -1.9733 -1.9729 0.5036 0.5187 1.4492 1.4740 6.0894 6.1056 6.5267 6.5270 7.2357 7.2380 7.6773 7.6774 7.8207 7.8208 9.1148 9.1198 9.7936 9.7950 11.7825 11.7894 12.4191 12.4203 14.0364 14.0380 14.2611 14.2627 14.8786 14.8799 15.0471 15.0515 k = 0.2243 0.5000-0.0000 ( 2716 PWs) bands (ev): -44.8890 -44.8890 -21.7022 -21.7018 -21.1398 -21.1392 -20.8625 -20.8624 -14.3294 -14.3293 -6.8671 -6.8665 -6.7175 -6.7172 -5.0527 -5.0519 -1.9783 -1.9779 0.4951 0.5102 1.4371 1.4619 6.0945 6.1122 6.4522 6.4542 7.3133 7.3156 7.6972 7.6973 7.8507 7.8507 9.1298 9.1345 9.8062 9.8075 11.8281 11.8351 12.5285 12.5295 13.9816 13.9831 14.2586 14.2602 14.8783 14.8795 15.0196 15.0241 k = 0.2119 0.5000-0.0000 ( 2716 PWs) bands (ev): -44.8891 -44.8891 -21.7014 -21.7009 -21.1385 -21.1379 -20.8623 -20.8622 -14.3328 -14.3327 -6.8844 -6.8840 -6.7384 -6.7380 -5.0028 -5.0020 -1.9833 -1.9829 0.4862 0.5012 1.4245 1.4491 6.0978 6.1174 6.3827 6.3871 7.3922 7.3945 7.7170 7.7171 7.8804 7.8805 9.1450 9.1495 9.8187 9.8200 11.8739 11.8809 12.6325 12.6334 13.9274 13.9287 14.2566 14.2582 14.8779 14.8790 14.9939 14.9985 k = 0.1994 0.5000-0.0000 ( 2718 PWs) bands (ev): -44.8891 -44.8891 -21.7006 -21.7001 -21.1372 -21.1366 -20.8621 -20.8620 -14.3360 -14.3359 -6.9009 -6.9006 -6.7587 -6.7582 -4.9538 -4.9530 -1.9882 -1.9878 0.4771 0.4919 1.4116 1.4358 6.0989 6.1210 6.3187 6.3260 7.4718 7.4741 7.7368 7.7369 7.9098 7.9098 9.1602 9.1645 9.8309 9.8322 11.9196 11.9265 12.7306 12.7315 13.8743 13.8755 14.2549 14.2565 14.8773 14.8782 14.9703 14.9750 k = 0.1869 0.5000-0.0000 ( 2720 PWs) bands (ev): -44.8892 -44.8892 -21.6998 -21.6994 -21.1359 -21.1354 -20.8619 -20.8618 -14.3392 -14.3391 -6.9166 -6.9163 -6.7782 -6.7777 -4.9061 -4.9053 -1.9930 -1.9926 0.4678 0.4823 1.3984 1.4221 6.0969 6.1226 6.2606 6.2721 7.5515 7.5537 7.7562 7.7563 7.9386 7.9387 9.1753 9.1793 9.8428 9.8441 11.9649 11.9718 12.8227 12.8236 13.8226 13.8236 14.2535 14.2551 14.8763 14.8771 14.9492 14.9541 k = 0.1745 0.5000-0.0000 ( 2718 PWs) bands (ev): -44.8892 -44.8892 -21.6990 -21.6986 -21.1347 -21.1341 -20.8617 -20.8616 -14.3423 -14.3422 -6.9314 -6.9313 -6.7969 -6.7963 -4.8598 -4.8590 -1.9977 -1.9973 0.4583 0.4725 1.3851 1.4081 6.0899 6.1203 6.2106 6.2271 7.6306 7.6327 7.7753 7.7753 7.9667 7.9668 9.1901 9.1939 9.8543 9.8556 12.0095 12.0163 12.9085 12.9093 13.7726 13.7735 14.2523 14.2540 14.8748 14.8754 14.9311 14.9360 k = 0.1620 0.5000-0.0000 ( 2720 PWs) bands (ev): -44.8893 -44.8893 -21.6983 -21.6979 -21.1335 -21.1330 -20.8616 -20.8615 -14.3453 -14.3452 -6.9455 -6.9454 -6.8147 -6.8140 -4.8152 -4.8145 -2.0023 -2.0019 0.4488 0.4625 1.3718 1.3939 6.0755 6.1082 6.1744 6.1939 7.7083 7.7104 7.7938 7.7939 7.9939 7.9939 9.2045 9.2081 9.8653 9.8665 12.0531 12.0598 12.9876 12.9884 13.7247 13.7255 14.2514 14.2530 14.8725 14.8731 14.9165 14.9212 k = 0.1495 0.5000-0.0000 ( 2718 PWs) bands (ev): -44.8893 -44.8893 -21.6976 -21.6972 -21.1323 -21.1319 -20.8614 -20.8613 -14.3481 -14.3480 -6.9586 -6.9586 -6.8313 -6.8307 -4.7725 -4.7719 -2.0067 -2.0062 0.4393 0.4524 1.3587 1.3798 6.0525 6.0804 6.1580 6.1733 7.7839 7.7860 7.8117 7.8119 8.0199 8.0199 9.2184 9.2218 9.8757 9.8769 12.0954 12.1020 13.0600 13.0608 13.6791 13.6799 14.2506 14.2523 14.8691 14.8698 14.9056 14.9101 k = 0.1371 0.5000-0.0000 ( 2720 PWs) bands (ev): -44.8894 -44.8894 -21.6969 -21.6966 -21.1313 -21.1308 -20.8612 -20.8611 -14.3507 -14.3507 -6.9710 -6.9709 -6.8469 -6.8462 -4.7320 -4.7314 -2.0108 -2.0104 0.4300 0.4424 1.3460 1.3659 6.0241 6.0453 6.1528 6.1623 7.8282 7.8283 7.8580 7.8596 8.0447 8.0447 9.2316 9.2348 9.8854 9.8865 12.1361 12.1425 13.1256 13.1264 13.6362 13.6368 14.2501 14.2517 14.8648 14.8658 14.8985 14.9025 k = 0.1246 0.5000-0.0000 ( 2722 PWs) bands (ev): -44.8894 -44.8894 -21.6963 -21.6960 -21.1303 -21.1298 -20.8611 -20.8610 -14.3532 -14.3531 -6.9824 -6.9824 -6.8612 -6.8606 -4.6940 -4.6934 -2.0147 -2.0144 0.4209 0.4325 1.3337 1.3524 5.9945 6.0107 6.1513 6.1566 7.8444 7.8445 7.9277 7.9294 8.0680 8.0680 9.2441 9.2470 9.8943 9.8954 12.1749 12.1810 13.1843 13.1851 13.5961 13.5967 14.2497 14.2513 14.8604 14.8617 14.8943 14.8978 k = 0.1122 0.5000-0.0000 ( 2723 PWs) bands (ev): -44.8894 -44.8894 -21.6958 -21.6955 -21.1293 -21.1289 -20.8609 -20.8608 -14.3555 -14.3554 -6.9930 -6.9929 -6.8743 -6.8736 -4.6587 -4.6582 -2.0184 -2.0181 0.4122 0.4229 1.3222 1.3394 5.9661 5.9788 6.1508 6.1535 7.8595 7.8595 7.9937 7.9953 8.0896 8.0896 9.2557 9.2584 9.9025 9.9035 12.2114 12.2171 13.2362 13.2370 13.5591 13.5596 14.2494 14.2510 14.8567 14.8582 14.8920 14.8950 k = 0.0997 0.5000-0.0000 ( 2721 PWs) bands (ev): -44.8895 -44.8895 -21.6953 -21.6950 -21.1285 -21.1281 -20.8607 -20.8607 -14.3576 -14.3575 -7.0025 -7.0024 -6.8860 -6.8854 -4.6263 -4.6258 -2.0218 -2.0215 0.4040 0.4138 1.3115 1.3271 5.9402 5.9504 6.1506 6.1518 7.8732 7.8733 8.0551 8.0566 8.1094 8.1095 9.2663 9.2688 9.9098 9.9107 12.2453 12.2506 13.2814 13.2822 13.5254 13.5258 14.2493 14.2508 14.8544 14.8560 14.8907 14.8934 k = 0.0872 0.5000-0.0000 ( 2724 PWs) bands (ev): -44.8895 -44.8895 -21.6948 -21.6946 -21.1277 -21.1274 -20.8606 -20.8606 -14.3594 -14.3594 -7.0111 -7.0110 -6.8964 -6.8959 -4.5970 -4.5966 -2.0248 -2.0245 0.3965 0.4052 1.3018 1.3157 5.9173 5.9255 6.1506 6.1508 7.8857 7.8857 8.1111 8.1125 8.1275 8.1275 9.2759 9.2781 9.9162 9.9171 12.2762 12.2810 13.3203 13.3211 13.4952 13.4956 14.2494 14.2508 14.8535 14.8550 14.8902 14.8925 k = 0.0748 0.5000-0.0000 ( 2730 PWs) bands (ev): -44.8895 -44.8895 -21.6944 -21.6942 -21.1270 -21.1268 -20.8605 -20.8605 -14.3611 -14.3610 -7.0186 -7.0185 -6.9055 -6.9049 -4.5712 -4.5708 -2.0275 -2.0273 0.3897 0.3973 1.2933 1.3054 5.8976 5.9041 6.1502 6.1505 7.8967 7.8967 8.1428 8.1428 8.1618 8.1630 9.2843 9.2863 9.9218 9.9225 12.3038 12.3081 13.3530 13.3537 13.4687 13.4690 14.2495 14.2508 14.8539 14.8552 14.8901 14.8922 k = 0.0623 0.5000-0.0000 ( 2730 PWs) bands (ev): -44.8896 -44.8896 -21.6941 -21.6939 -21.1264 -21.1262 -20.8604 -20.8604 -14.3625 -14.3624 -7.0251 -7.0250 -6.9131 -6.9127 -4.5489 -4.5486 -2.0298 -2.0296 0.3838 0.3902 1.2860 1.2963 5.8810 5.8862 6.1499 6.1505 7.9063 7.9063 8.1565 8.1565 8.2054 8.2064 9.2916 9.2932 9.9264 9.9271 12.3279 12.3316 13.3797 13.3804 13.4461 13.4464 14.2497 14.2509 14.8551 14.8562 14.8904 14.8922 k = 0.0498 0.5000-0.0000 ( 2732 PWs) bands (ev): -44.8896 -44.8896 -21.6938 -21.6937 -21.1259 -21.1258 -20.8604 -20.8603 -14.3636 -14.3636 -7.0304 -7.0303 -6.9193 -6.9190 -4.5304 -4.5302 -2.0318 -2.0316 0.3789 0.3841 1.2801 1.2884 5.8677 5.8717 6.1497 6.1504 7.9142 7.9142 8.1678 8.1678 8.2420 8.2429 9.2976 9.2989 9.9302 9.9308 12.3481 12.3511 13.4005 13.4011 13.4281 13.4284 14.2500 14.2509 14.8569 14.8577 14.8909 14.8925 k = 0.0374 0.5000-0.0000 ( 2738 PWs) bands (ev): -44.8896 -44.8896 -21.6936 -21.6935 -21.1256 -21.1254 -20.8603 -20.8603 -14.3645 -14.3645 -7.0346 -7.0345 -6.9242 -6.9239 -4.5159 -4.5157 -2.0333 -2.0332 0.3751 0.3791 1.2757 1.2819 5.8575 5.8604 6.1497 6.1503 7.9204 7.9204 8.1766 8.1766 8.2711 8.2717 9.3024 9.3034 9.9332 9.9336 12.3641 12.3665 13.4086 13.4087 13.4218 13.4220 14.2503 14.2510 14.8587 14.8593 14.8917 14.8930 k = 0.0249 0.5000-0.0000 ( 2738 PWs) bands (ev): -44.8896 -44.8896 -21.6934 -21.6934 -21.1253 -21.1252 -20.8603 -20.8603 -14.3652 -14.3652 -7.0376 -7.0375 -6.9276 -6.9274 -4.5054 -4.5053 -2.0344 -2.0343 0.3726 0.3752 1.2728 1.2770 5.8503 5.8523 6.1497 6.1502 7.9249 7.9249 8.1830 8.1830 8.2922 8.2926 9.3058 9.3065 9.9353 9.9356 12.3759 12.3774 13.4004 13.4004 13.4309 13.4312 14.2505 14.2510 14.8602 14.8606 14.8924 14.8934 k = 0.0125 0.5000-0.0000 ( 2738 PWs) bands (ev): -44.8896 -44.8896 -21.6933 -21.6933 -21.1251 -21.1251 -20.8603 -20.8602 -14.3656 -14.3656 -7.0394 -7.0394 -6.9297 -6.9296 -4.4991 -4.4990 -2.0350 -2.0350 0.3713 0.3726 1.2714 1.2735 5.8463 5.8472 6.1498 6.1500 7.9276 7.9276 8.1868 8.1868 8.3050 8.3052 9.3080 9.3083 9.9366 9.9367 12.3831 12.3839 13.3943 13.3944 13.4374 13.4376 14.2507 14.2510 14.8612 14.8614 14.8931 14.8936 k = 0.0000 0.5000-0.0000 ( 2738 PWs) bands (ev): -44.8896 -44.8896 -21.6933 -21.6933 -21.1250 -21.1250 -20.8602 -20.8602 -14.3657 -14.3657 -7.0400 -7.0400 -6.9303 -6.9303 -4.4969 -4.4969 -2.0352 -2.0352 0.3713 0.3713 1.2717 1.2717 5.8452 5.8452 6.1499 6.1499 7.9285 7.9285 8.1881 8.1881 8.3094 8.3094 9.3088 9.3088 9.9370 9.9370 12.3859 12.3859 13.3923 13.3923 13.4397 13.4397 14.2509 14.2509 14.8617 14.8617 14.8935 14.8935 k = 0.0000 0.5000-0.0000 ( 2738 PWs) bands (ev): -44.8896 -44.8896 -21.6933 -21.6933 -21.1250 -21.1250 -20.8602 -20.8602 -14.3657 -14.3657 -7.0400 -7.0400 -6.9303 -6.9303 -4.4969 -4.4969 -2.0352 -2.0352 0.3713 0.3713 1.2717 1.2717 5.8452 5.8452 6.1499 6.1499 7.9285 7.9285 8.1881 8.1881 8.3094 8.3094 9.3088 9.3088 9.9370 9.9370 12.3859 12.3859 13.3923 13.3923 13.4397 13.4397 14.2509 14.2509 14.8617 14.8617 14.8935 14.8935 k = 0.0000 0.5000 0.0124 ( 2738 PWs) bands (ev): -44.8896 -44.8896 -21.6933 -21.6933 -21.1250 -21.1250 -20.8603 -20.8602 -14.3649 -14.3649 -7.0447 -7.0410 -6.9333 -6.9298 -4.5019 -4.5001 -2.0290 -2.0209 0.3686 0.3758 1.2715 1.2719 5.8429 5.8434 6.1491 6.1491 7.9298 7.9302 8.1866 8.1871 8.3095 8.3096 9.3089 9.3089 9.9371 9.9372 12.3864 12.3876 13.3903 13.3912 13.4392 13.4401 14.2418 14.2434 14.8596 14.8631 14.8909 14.8952 k = 0.0000 0.5000 0.0248 ( 2736 PWs) bands (ev): -44.8896 -44.8896 -21.6933 -21.6933 -21.1250 -21.1250 -20.8603 -20.8603 -14.3627 -14.3627 -7.0554 -7.0483 -6.9380 -6.9315 -4.5148 -4.5112 -2.0024 -1.9862 0.3678 0.3822 1.2713 1.2721 5.8364 5.8373 6.1469 6.1469 7.9342 7.9349 8.1825 8.1835 8.3100 8.3101 9.3091 9.3092 9.9373 9.9376 12.3893 12.3916 13.3853 13.3871 13.4388 13.4403 14.2162 14.2194 14.8570 14.8638 14.8876 14.8959 k = 0.0000 0.5000 0.0372 ( 2738 PWs) bands (ev): -44.8896 -44.8896 -21.6933 -21.6933 -21.1250 -21.1250 -20.8604 -20.8603 -14.3589 -14.3589 -7.0728 -7.0632 -6.9432 -6.9343 -4.5346 -4.5294 -1.9567 -1.9324 0.3689 0.3907 1.2712 1.2723 5.8258 5.8271 6.1432 6.1433 7.9415 7.9425 8.1760 8.1774 8.3108 8.3110 9.3095 9.3097 9.9376 9.9382 12.3944 12.3980 13.3775 13.3799 13.4384 13.4403 14.1744 14.1792 14.8538 14.8638 14.8837 14.8958 k = 0.0000 0.5000 0.0496 ( 2734 PWs) bands (ev): -44.8896 -44.8896 -21.6933 -21.6932 -21.1250 -21.1250 -20.8605 -20.8604 -14.3537 -14.3536 -7.0980 -7.0869 -6.9474 -6.9373 -4.5600 -4.5536 -1.8933 -1.8610 0.3719 0.4013 1.2712 1.2726 5.8111 5.8127 6.1382 6.1384 7.9517 7.9530 8.1669 8.1689 8.3119 8.3122 9.3101 9.3103 9.9381 9.9388 12.4018 12.4067 13.3669 13.3697 13.4379 13.4401 14.1166 14.1231 14.8501 14.8629 14.8796 14.8950 k = 0.0000 0.5000 0.0621 ( 2734 PWs) bands (ev): -44.8896 -44.8896 -21.6933 -21.6932 -21.1249 -21.1249 -20.8606 -20.8605 -14.3469 -14.3469 -7.1314 -7.1198 -6.9499 -6.9395 -4.5896 -4.5823 -1.8142 -1.7738 0.3770 0.4144 1.2715 1.2730 5.7923 5.7943 6.1321 6.1322 7.9647 7.9662 8.1556 8.1580 8.3134 8.3138 9.3108 9.3111 9.9387 9.9396 12.4116 12.4177 13.3538 13.3568 13.4374 13.4397 14.0434 14.0517 14.8459 14.8606 14.8759 14.8937 k = 0.0000 0.5000 0.0745 ( 2724 PWs) bands (ev): -44.8896 -44.8896 -21.6932 -21.6932 -21.1249 -21.1248 -20.8607 -20.8606 -14.3388 -14.3387 -7.1731 -7.1616 -6.9508 -6.9408 -4.6220 -4.6140 -1.7216 -1.6729 0.3844 0.4303 1.2720 1.2736 5.7695 5.7719 6.1248 6.1250 7.9803 7.9820 8.1420 8.1449 8.3152 8.3156 9.3118 9.3121 9.9392 9.9403 12.4236 12.4311 13.3381 13.3413 13.4368 13.4390 13.9554 13.9655 14.8413 14.8569 14.8731 14.8920 k = 0.0000 0.5000 0.0869 ( 2724 PWs) bands (ev): -44.8896 -44.8896 -21.6932 -21.6932 -21.1248 -21.1248 -20.8608 -20.8608 -14.3291 -14.3290 -7.2226 -7.2116 -6.9504 -6.9410 -4.6559 -4.6474 -1.6178 -1.5606 0.3945 0.4492 1.2731 1.2744 5.7428 5.7456 6.1167 6.1169 7.9985 8.0001 8.1264 8.1297 8.3173 8.3178 9.3128 9.3132 9.9396 9.9409 12.4378 12.4469 13.3201 13.3234 13.4359 13.4380 13.8534 13.8653 14.8363 14.8518 14.8710 14.8900 k = 0.0000 0.5000 0.0993 ( 2722 PWs) bands (ev): -44.8896 -44.8896 -21.6932 -21.6931 -21.1248 -21.1247 -20.8610 -20.8610 -14.3181 -14.3180 -7.2793 -7.2690 -6.9489 -6.9402 -4.6901 -4.6813 -1.5050 -1.4389 0.4077 0.4719 1.2747 1.2756 5.7125 5.7155 6.1078 6.1080 8.0188 8.0200 8.1090 8.1129 8.3197 8.3204 9.3140 9.3144 9.9398 9.9413 12.4542 12.4650 13.3000 13.3033 13.4346 13.4367 13.7384 13.7520 14.8310 14.8460 14.8693 14.8878 k = 0.0000 0.5000 0.1117 ( 2724 PWs) bands (ev): -44.8895 -44.8895 -21.6932 -21.6931 -21.1247 -21.1247 -20.8613 -20.8612 -14.3057 -14.3056 -7.3427 -7.3330 -6.9466 -6.9387 -4.7237 -4.7149 -1.3856 -1.3100 0.4247 0.4989 1.2770 1.2773 5.6785 5.6818 6.0984 6.0985 8.0403 8.0411 8.0905 8.0959 8.3224 8.3232 9.3154 9.3158 9.9396 9.9414 12.4726 12.4855 13.2778 13.2812 13.4318 13.4344 13.6124 13.6272 14.8255 14.8396 14.8678 14.8855 k = 0.0000 0.5000 0.1241 ( 2724 PWs) bands (ev): -44.8895 -44.8895 -21.6932 -21.6931 -21.1246 -21.1246 -20.8615 -20.8615 -14.2920 -14.2919 -7.4119 -7.4028 -6.9437 -6.9364 -4.7560 -4.7473 -1.2619 -1.1763 0.4464 0.5313 1.2794 1.2805 5.6412 5.6447 6.0885 6.0886 8.0520 8.0595 8.0762 8.0873 8.3255 8.3265 9.3169 9.3173 9.9389 9.9410 12.4926 12.5081 13.2536 13.2573 13.4169 13.4267 13.4866 13.4970 14.8197 14.8330 14.8663 14.8832 k = 0.0000 0.5000 0.1365 ( 2730 PWs) bands (ev): -44.8895 -44.8895 -21.6932 -21.6931 -21.1246 -21.1246 -20.8618 -20.8617 -14.2770 -14.2769 -7.4863 -7.4777 -6.9403 -6.9336 -4.7867 -4.7782 -1.1363 -1.0403 0.4741 0.5700 1.2823 1.2851 5.6008 5.6044 6.0782 6.0783 8.0390 8.0448 8.0953 8.1039 8.3289 8.3300 9.3185 9.3189 9.9376 9.9400 12.5135 12.5325 13.2268 13.2318 13.3099 13.3339 13.4409 13.4450 14.8138 14.8263 14.8649 14.8808 k = 0.0000 0.5000 0.1489 ( 2724 PWs) bands (ev): -44.8895 -44.8895 -21.6932 -21.6931 -21.1245 -21.1245 -20.8621 -20.8619 -14.2608 -14.2607 -7.5650 -7.5570 -6.9364 -6.9303 -4.8154 -4.8071 -1.0113 -0.9047 0.5095 0.6164 1.2860 1.2913 5.5574 5.5612 6.0678 6.0679 8.0167 8.0218 8.1229 8.1301 8.3326 8.3339 9.3202 9.3206 9.9355 9.9383 12.5336 12.5577 13.1490 13.1819 13.2063 13.2065 13.4368 13.4397 14.8078 14.8195 14.8634 14.8784 k = 0.0000 0.5000 0.1613 ( 2724 PWs) bands (ev): -44.8895 -44.8895 -21.6932 -21.6931 -21.1245 -21.1244 -20.8624 -20.8622 -14.2435 -14.2433 -7.6474 -7.6399 -6.9322 -6.9266 -4.8420 -4.8340 -0.8896 -0.7726 0.5548 0.6720 1.2905 1.2996 5.5114 5.5152 6.0572 6.0573 7.9920 7.9970 8.1523 8.1592 8.3367 8.3383 9.3220 9.3224 9.9326 9.9358 12.5479 12.5808 12.9894 13.0282 13.1759 13.1777 13.4351 13.4375 14.8017 14.8126 14.8619 14.8760 k = 0.0000 0.5000 0.1738 ( 2722 PWs) bands (ev): -44.8895 -44.8895 -21.6932 -21.6931 -21.1244 -21.1243 -20.8627 -20.8625 -14.2250 -14.2248 -7.7328 -7.7257 -6.9277 -6.9225 -4.8665 -4.8587 -0.7738 -0.6477 0.6126 0.7383 1.2961 1.3107 5.4630 5.4667 6.0467 6.0467 7.9659 7.9709 8.1830 8.1899 8.3412 8.3432 9.3238 9.3243 9.9286 9.9323 12.5413 12.5884 12.8367 12.8874 13.1468 13.1490 13.4340 13.4360 14.7955 14.8057 14.8605 14.8736 k = 0.0000 0.5000 0.1862 ( 2720 PWs) bands (ev): -44.8895 -44.8895 -21.6932 -21.6931 -21.1243 -21.1243 -20.8630 -20.8629 -14.2055 -14.2053 -7.8204 -7.8138 -6.9229 -6.9181 -4.8887 -4.8814 -0.6664 -0.5335 0.6853 0.8164 1.3028 1.3255 5.4126 5.4161 6.0362 6.0363 7.9389 7.9440 8.2145 8.2216 8.3464 8.3489 9.3258 9.3262 9.9234 9.9276 12.4751 12.5233 12.7512 12.8000 13.1174 13.1196 13.4330 13.4348 14.7893 14.7988 14.8590 14.8714 k = 0.0000 0.5000 0.1986 ( 2718 PWs) bands (ev): -44.8894 -44.8894 -21.6931 -21.6931 -21.1242 -21.1242 -20.8633 -20.8632 -14.1850 -14.1848 -7.9097 -7.9035 -6.9179 -6.9135 -4.9090 -4.9019 -0.5695 -0.4330 0.7747 0.9066 1.3107 1.3460 5.3603 5.3636 6.0259 6.0260 7.9112 7.9163 8.2463 8.2535 8.3526 8.3558 9.3277 9.3281 9.9169 9.9218 12.3321 12.3647 12.7551 12.7840 13.0875 13.0898 13.4321 13.4338 14.7831 14.7919 14.8576 14.8691 k = 0.0000 0.5000 0.2110 ( 2720 PWs) bands (ev): -44.8894 -44.8894 -21.6932 -21.6931 -21.1241 -21.1241 -20.8637 -20.8635 -14.1637 -14.1635 -8.0000 -7.9941 -6.9127 -6.9087 -4.9272 -4.9206 -0.4843 -0.3481 0.8803 1.0078 1.3201 1.3760 5.3066 5.3095 6.0158 6.0159 7.8830 7.8881 8.2772 8.2845 8.3606 8.3650 9.3297 9.3301 9.9090 9.9147 12.1481 12.1738 12.7876 12.8046 13.0575 13.0598 13.4314 13.4329 14.7768 14.7850 14.8563 14.8670 k = 0.0000 0.5000 0.2234 ( 2720 PWs) bands (ev): -44.8894 -44.8894 -21.6931 -21.6930 -21.1240 -21.1240 -20.8640 -20.8639 -14.1416 -14.1414 -8.0907 -8.0852 -6.9074 -6.9036 -4.9437 -4.9374 -0.4114 -0.2791 0.9967 1.1175 1.3314 1.4227 5.2517 5.2541 6.0060 6.0062 7.8545 7.8596 8.3050 8.3121 8.3726 8.3786 9.3317 9.3322 9.8995 9.9062 11.9462 11.9701 12.8295 12.8400 13.0276 13.0298 13.4307 13.4320 14.7706 14.7782 14.8550 14.8650 k = 0.0000 0.5000 0.2358 ( 2714 PWs) bands (ev): -44.8894 -44.8894 -21.6931 -21.6930 -21.1239 -21.1239 -20.8643 -20.8642 -14.1188 -14.1186 -8.1813 -8.1762 -6.9020 -6.8985 -4.9585 -4.9525 -0.3502 -0.2247 1.1079 1.2359 1.3472 1.4972 5.1959 5.1978 5.9965 5.9967 7.8258 7.8309 8.3267 8.3328 8.3922 8.3996 9.3337 9.3342 9.8883 9.8961 11.7341 11.7582 12.8763 12.8828 12.9980 13.0003 13.4300 13.4313 14.7644 14.7714 14.8537 14.8630 k = 0.0000 0.5000 0.2482 ( 2718 PWs) bands (ev): -44.8894 -44.8894 -21.6931 -21.6930 -21.1239 -21.1238 -20.8647 -20.8646 -14.0955 -14.0953 -8.2713 -8.2665 -6.8965 -6.8933 -4.9717 -4.9661 -0.2999 -0.1830 1.1912 1.3340 1.4068 1.6077 5.1394 5.1409 5.9873 5.9877 7.7971 7.8023 8.3413 8.3460 8.4200 8.4284 9.3356 9.3362 9.8754 9.8846 11.5152 11.5403 12.9254 12.9286 12.9705 12.9733 13.4294 13.4306 14.7582 14.7648 14.8526 14.8612 k = 0.0000 0.5000 0.2606 ( 2716 PWs) bands (ev): -44.8893 -44.8893 -21.6931 -21.6930 -21.1238 -21.1237 -20.8650 -20.8649 -14.0718 -14.0716 -8.3601 -8.3557 -6.8910 -6.8880 -4.9835 -4.9782 -0.2591 -0.1516 1.2458 1.3594 1.5631 1.7504 5.0824 5.0840 5.9786 5.9791 7.7686 7.7737 8.3512 8.3548 8.4530 8.4621 9.3375 9.3381 9.8604 9.8716 11.2910 11.3175 12.9344 12.9363 12.9861 12.9896 13.4289 13.4300 14.7521 14.7582 14.8514 14.8594 k = 0.0000 0.5000 0.2731 ( 2716 PWs) bands (ev): -44.8893 -44.8893 -21.6931 -21.6930 -21.1237 -21.1237 -20.8654 -20.8653 -14.0478 -14.0476 -8.4474 -8.4433 -6.8855 -6.8827 -4.9941 -4.9891 -0.2264 -0.1284 1.2841 1.3761 1.7450 1.9158 5.0251 5.0277 5.9703 5.9709 7.7403 7.7454 8.3588 8.3616 8.4886 8.4985 9.3392 9.3401 9.8433 9.8569 11.0628 11.0910 12.9077 12.9095 13.0418 13.0435 13.4284 13.4294 14.7460 14.7517 14.8504 14.8578 k = 0.0000 0.5000 0.2855 ( 2714 PWs) bands (ev): -44.8893 -44.8893 -21.6931 -21.6930 -21.1236 -21.1236 -20.8657 -20.8656 -14.0236 -14.0234 -8.5328 -8.5289 -6.8800 -6.8775 -5.0035 -4.9988 -0.2004 -0.1116 1.3145 1.3924 1.9390 2.0967 4.9679 4.9720 5.9625 5.9631 7.7124 7.7174 8.3651 8.3674 8.5256 8.5363 9.3409 9.3419 9.8235 9.8407 10.8314 10.8619 12.8802 12.8819 13.1015 13.1022 13.4280 13.4289 14.7401 14.7454 14.8495 14.8563 k = 0.0000 0.5000 0.2979 ( 2714 PWs) bands (ev): -44.8893 -44.8893 -21.6931 -21.6930 -21.1235 -21.1235 -20.8661 -20.8659 -13.9994 -13.9992 -8.6157 -8.6121 -6.8746 -6.8723 -5.0118 -5.0075 -0.1799 -0.0999 1.3409 1.4091 2.1413 2.2888 4.9112 4.9173 5.9551 5.9559 7.6848 7.6898 8.3708 8.3726 8.5631 8.5749 9.3424 9.3436 9.8005 9.8230 10.5979 10.6318 12.8533 12.8549 13.1636 13.1640 13.4276 13.4285 14.7343 14.7393 14.8486 14.8549 k = 0.0000 0.5000 0.3103 ( 2720 PWs) bands (ev): -44.8893 -44.8893 -21.6931 -21.6930 -21.1234 -21.1234 -20.8665 -20.8663 -13.9754 -13.9752 -8.6958 -8.6925 -6.8693 -6.8672 -5.0192 -5.0152 -0.1640 -0.0920 1.3654 1.4262 2.3498 2.4891 4.8554 4.8639 5.9483 5.9491 7.6577 7.6627 8.3759 8.3774 8.6009 8.6141 9.3438 9.3451 9.7724 9.8038 10.3631 10.4030 12.8273 12.8289 13.2277 13.2284 13.4273 13.4281 14.7287 14.7333 14.8478 14.8536 k = 0.0000 0.5000 0.3227 ( 2720 PWs) bands (ev): -44.8893 -44.8893 -21.6931 -21.6930 -21.1234 -21.1233 -20.8668 -20.8666 -13.9517 -13.9515 -8.7727 -8.7697 -6.8642 -6.8623 -5.0257 -5.0220 -0.1518 -0.0873 1.3887 1.4437 2.5629 2.6958 4.8008 4.8125 5.9419 5.9428 7.6310 7.6360 8.3807 8.3820 8.6383 8.6534 9.3449 9.3464 9.7345 9.7832 10.1282 10.1811 12.8024 12.8039 13.2936 13.2947 13.4271 13.4277 14.7232 14.7276 14.8471 14.8524 k = 0.0000 0.5000 0.3351 ( 2718 PWs) bands (ev): -44.8892 -44.8892 -21.6931 -21.6930 -21.1233 -21.1233 -20.8671 -20.8669 -13.9284 -13.9282 -8.8462 -8.8434 -6.8593 -6.8575 -5.0315 -5.0281 -0.1425 -0.0848 1.4113 1.4615 2.7792 2.9074 4.7478 4.7633 5.9360 5.9370 7.6048 7.6097 8.3851 8.3863 8.6749 8.6928 9.3456 9.3474 9.6716 9.7613 9.8943 9.9826 12.7787 12.7801 13.3610 13.3623 13.4269 13.4275 14.7179 14.7221 14.8465 14.8513 k = 0.0000 0.5000 0.3475 ( 2714 PWs) bands (ev): -44.8892 -44.8892 -21.6931 -21.6930 -21.1232 -21.1232 -20.8673 -20.8672 -13.9059 -13.9057 -8.9158 -8.9133 -6.8546 -6.8530 -5.0366 -5.0334 -0.1356 -0.0842 1.4334 1.4792 2.9974 3.1226 4.6967 4.7172 5.9306 5.9318 7.5787 7.5836 8.3893 8.3903 8.7096 8.7317 9.3453 9.3478 9.5486 9.6631 9.7384 9.8447 12.7564 12.7576 13.4251 13.4263 13.4306 13.4323 14.7129 14.7168 14.8459 14.8503 k = 0.0000 0.5000 0.3599 ( 2708 PWs) bands (ev): -44.8892 -44.8892 -21.6930 -21.6929 -21.1231 -21.1231 -20.8675 -20.8674 -13.8842 -13.8840 -8.9812 -8.9789 -6.8501 -6.8486 -5.0410 -5.0381 -0.1306 -0.0850 1.4549 1.4967 3.2162 3.3402 4.6479 4.6748 5.9257 5.9270 7.5526 7.5575 8.3932 8.3941 8.7399 8.7696 9.3304 9.3450 9.3765 9.4398 9.7144 9.7725 12.7355 12.7366 13.4263 13.4269 13.4986 13.5003 14.7081 14.7119 14.8454 14.8494 k = 0.0000 0.5000 0.3723 ( 2710 PWs) bands (ev): -44.8892 -44.8892 -21.6930 -21.6929 -21.1231 -21.1230 -20.8678 -20.8677 -13.8635 -13.8634 -9.0421 -9.0400 -6.8459 -6.8446 -5.0449 -5.0423 -0.1270 -0.0867 1.4757 1.5137 3.4336 3.5590 4.6018 4.6374 5.9213 5.9228 7.5259 7.5307 8.3969 8.3976 8.7587 8.8041 9.1479 9.2178 9.3506 9.3534 9.6896 9.7281 12.7161 12.7171 13.4263 13.4268 13.5675 13.5691 14.7035 14.7072 14.8450 14.8486 k = 0.0000 0.5000 0.3848 ( 2718 PWs) bands (ev): -44.8892 -44.8892 -21.6930 -21.6930 -21.1230 -21.1230 -20.8681 -20.8680 -13.8441 -13.8440 -9.0982 -9.0964 -6.8420 -6.8408 -5.0482 -5.0459 -0.1245 -0.0892 1.4957 1.5300 3.6470 3.7776 4.5590 4.6070 5.9175 5.9191 7.4979 7.5027 8.4002 8.4009 8.7393 8.8170 8.9585 9.0466 9.3489 9.3512 9.6645 9.6930 12.6983 12.6992 13.4262 13.4266 13.6355 13.6371 14.6992 14.7028 14.8446 14.8478 k = 0.0000 0.5000 0.3972 ( 2714 PWs) bands (ev): -44.8892 -44.8892 -21.6930 -21.6930 -21.1229 -21.1229 -20.8683 -20.8682 -13.8261 -13.8260 -9.1492 -9.1476 -6.8384 -6.8374 -5.0511 -5.0490 -0.1228 -0.0922 1.5146 1.5452 3.8514 3.9940 4.5202 4.5875 5.9142 5.9160 7.4673 7.4720 8.4032 8.4038 8.6270 8.6889 8.9128 8.9729 9.3474 9.3499 9.6392 9.6619 12.6822 12.6830 13.4261 13.4265 13.7018 13.7033 14.6952 14.6987 14.8444 14.8471 k = 0.0000 0.5000 0.4096 ( 2710 PWs) bands (ev): -44.8892 -44.8892 -21.6930 -21.6929 -21.1229 -21.1229 -20.8685 -20.8684 -13.8098 -13.8096 -9.1950 -9.1936 -6.8352 -6.8343 -5.0535 -5.0517 -0.1216 -0.0954 1.5323 1.5592 4.0371 4.2041 4.4881 4.5875 5.9115 5.9135 7.4321 7.4367 8.4056 8.4064 8.4527 8.4947 8.9401 8.9728 9.3454 9.3481 9.6143 9.6330 12.6678 12.6685 13.4261 13.4264 13.7653 13.7667 14.6916 14.6949 14.8441 14.8465 k = 0.0000 0.5000 0.4220 ( 2710 PWs) bands (ev): -44.8891 -44.8891 -21.6930 -21.6929 -21.1228 -21.1228 -20.8686 -20.8686 -13.7951 -13.7950 -9.2351 -9.2339 -6.8324 -6.8316 -5.0555 -5.0540 -0.1208 -0.0988 1.5484 1.5717 4.1836 4.3791 4.4890 4.6254 5.9094 5.9115 7.3890 7.3938 8.2729 8.3070 8.4086 8.4089 8.9732 8.9941 9.3427 9.3453 9.5904 9.6061 12.6552 12.6559 13.4260 13.4263 13.8250 13.8261 14.6883 14.6914 14.8439 14.8460 k = 0.0000 0.5000 0.4344 ( 2710 PWs) bands (ev): -44.8891 -44.8891 -21.6930 -21.6929 -21.1228 -21.1228 -20.8688 -20.8687 -13.7825 -13.7824 -9.2694 -9.2685 -6.8299 -6.8293 -5.0571 -5.0559 -0.1202 -0.1021 1.5629 1.5824 4.2692 4.4014 4.6373 4.7200 5.9080 5.9103 7.3340 7.3397 8.1118 8.1397 8.4106 8.4109 9.0061 9.0207 9.3388 9.3414 9.5683 9.5814 12.6445 12.6451 13.4260 13.4262 13.8794 13.8803 14.6854 14.6883 14.8438 14.8455 k = 0.0000 0.5000 0.4468 ( 2706 PWs) bands (ev): -44.8891 -44.8891 -21.6930 -21.6929 -21.1227 -21.1227 -20.8689 -20.8689 -13.7719 -13.7718 -9.2978 -9.2970 -6.8279 -6.8274 -5.0584 -5.0574 -0.1195 -0.1052 1.5754 1.5912 4.3042 4.3824 4.8166 4.8566 5.9075 5.9099 7.2641 7.2714 7.9805 8.0020 8.4123 8.4125 9.0371 9.0477 9.3340 9.3362 9.5487 9.5594 12.6357 12.6361 13.4260 13.4262 13.9270 13.9277 14.6830 14.6856 14.8438 14.8451 k = 0.0000 0.5000 0.4592 ( 2706 PWs) bands (ev): -44.8891 -44.8891 -21.6930 -21.6929 -21.1227 -21.1227 -20.8690 -20.8690 -13.7636 -13.7635 -9.3200 -9.3195 -6.8263 -6.8259 -5.0594 -5.0586 -0.1187 -0.1081 1.5859 1.5977 4.3158 4.3635 4.9782 5.0005 5.9080 5.9103 7.1823 7.1910 7.8847 7.8998 8.4136 8.4138 9.0647 9.0723 9.3283 9.3301 9.5327 9.5410 12.6288 12.6292 13.4260 13.4261 13.9662 13.9667 14.6811 14.6832 14.8438 14.8448 k = 0.0000 0.5000 0.4716 ( 2704 PWs) bands (ev): -44.8891 -44.8891 -21.6929 -21.6929 -21.1227 -21.1227 -20.8690 -20.8690 -13.7575 -13.7575 -9.3360 -9.3356 -6.8251 -6.8249 -5.0600 -5.0595 -0.1178 -0.1107 1.5940 1.6019 4.3199 4.3478 5.1100 5.1243 5.9094 5.9114 7.1016 7.1099 7.8232 7.8324 8.4146 8.4147 9.0873 9.0923 9.3225 9.3237 9.5211 9.5268 12.6239 12.6241 13.4260 13.4261 13.9957 13.9960 14.6798 14.6813 14.8438 14.8445 k = 0.0000 0.5000 0.4840 ( 2704 PWs) bands (ev): -44.8891 -44.8891 -21.6929 -21.6929 -21.1227 -21.1227 -20.8691 -20.8691 -13.7538 -13.7538 -9.3455 -9.3453 -6.8244 -6.8243 -5.0603 -5.0601 -0.1165 -0.1130 1.5997 1.6037 4.3230 4.3360 5.1994 5.2070 5.9113 5.9125 7.0419 7.0470 7.7903 7.7947 8.4152 8.4152 9.1027 9.1053 9.3180 9.3185 9.5146 9.5174 12.6210 12.6211 13.4260 13.4261 14.0139 14.0141 14.6792 14.6800 14.8439 14.8442 k = 0.0000 0.5000 0.4965 ( 2708 PWs) bands (ev): -44.8891 -44.8891 -21.6929 -21.6929 -21.1227 -21.1227 -20.8691 -20.8691 -13.7526 -13.7526 -9.3487 -9.3487 -6.8241 -6.8241 -5.0604 -5.0604 -0.1149 -0.1149 1.6030 1.6030 4.3279 4.3279 5.2338 5.2338 5.9126 5.9126 7.0214 7.0214 7.7813 7.7813 8.4154 8.4154 9.1090 9.1090 9.3164 9.3164 9.5133 9.5133 12.6200 12.6200 13.4261 13.4261 14.0202 14.0202 14.6792 14.6792 14.8440 14.8440 k = 0.0000 0.5000 0.4965 ( 2708 PWs) bands (ev): -44.8891 -44.8891 -21.6929 -21.6929 -21.1227 -21.1227 -20.8691 -20.8691 -13.7526 -13.7526 -9.3487 -9.3487 -6.8241 -6.8241 -5.0604 -5.0604 -0.1149 -0.1149 1.6030 1.6030 4.3279 4.3279 5.2338 5.2338 5.9126 5.9126 7.0214 7.0214 7.7813 7.7813 8.4154 8.4154 9.1090 9.1090 9.3164 9.3164 9.5133 9.5133 12.6200 12.6200 13.4261 13.4261 14.0202 14.0202 14.6792 14.6792 14.8440 14.8440 k = 0.0125 0.5000 0.4965 ( 2708 PWs) bands (ev): -44.8891 -44.8891 -21.6930 -21.6929 -21.1228 -21.1227 -20.8691 -20.8691 -13.7525 -13.7525 -9.3481 -9.3481 -6.8233 -6.8232 -5.0622 -5.0622 -0.1152 -0.1150 1.6013 1.6016 4.3315 4.3315 5.2338 5.2340 5.9130 5.9130 7.0226 7.0230 7.7823 7.7826 8.4109 8.4112 9.1081 9.1082 9.3154 9.3157 9.5127 9.5128 12.6210 12.6211 13.4234 13.4236 14.0207 14.0207 14.6793 14.6794 14.8436 14.8440 k = 0.0249 0.5000 0.4965 ( 2710 PWs) bands (ev): -44.8891 -44.8891 -21.6931 -21.6930 -21.1230 -21.1228 -20.8692 -20.8692 -13.7522 -13.7522 -9.3464 -9.3463 -6.8208 -6.8207 -5.0677 -5.0676 -0.1158 -0.1155 1.5965 1.5972 4.3424 4.3424 5.2340 5.2343 5.9142 5.9142 7.0266 7.0275 7.7856 7.7863 8.3978 8.3983 9.1053 9.1055 9.3129 9.3134 9.5111 9.5113 12.6239 12.6240 13.4158 13.4161 14.0223 14.0224 14.6794 14.6796 14.8428 14.8436 k = 0.0374 0.5000 0.4965 ( 2704 PWs) bands (ev): -44.8891 -44.8891 -21.6933 -21.6931 -21.1233 -21.1231 -20.8692 -20.8691 -13.7517 -13.7517 -9.3435 -9.3434 -6.8167 -6.8165 -5.0767 -5.0766 -0.1168 -0.1164 1.5887 1.5897 4.3604 4.3604 5.2344 5.2348 5.9161 5.9161 7.0333 7.0346 7.7913 7.7922 8.3763 8.3770 9.1007 9.1010 9.3088 9.3095 9.5084 9.5086 12.6286 12.6288 13.4029 13.4034 14.0250 14.0251 14.6797 14.6800 14.8418 14.8429 k = 0.0498 0.5000 0.4965 ( 2710 PWs) bands (ev): -44.8891 -44.8891 -21.6935 -21.6934 -21.1237 -21.1235 -20.8693 -20.8692 -13.7510 -13.7510 -9.3395 -9.3394 -6.8109 -6.8107 -5.0893 -5.0892 -0.1182 -0.1177 1.5780 1.5794 4.3855 4.3855 5.2351 5.2356 5.9189 5.9189 7.0426 7.0443 7.7993 7.8005 8.3466 8.3475 9.0944 9.0949 9.3032 9.3041 9.5045 9.5048 12.6351 12.6354 13.3846 13.3853 14.0287 14.0288 14.6801 14.6805 14.8408 14.8423 k = 0.0623 0.5000 0.4965 ( 2714 PWs) bands (ev): -44.8891 -44.8891 -21.6939 -21.6937 -21.1242 -21.1239 -20.8694 -20.8693 -13.7501 -13.7501 -9.3344 -9.3342 -6.8035 -6.8032 -5.1053 -5.1052 -0.1200 -0.1193 1.5646 1.5662 4.4175 4.4175 5.2361 5.2367 5.9224 5.9224 7.0542 7.0563 7.8096 7.8111 8.3092 8.3104 9.0865 9.0870 9.2960 9.2972 9.4995 9.4998 12.6433 12.6436 13.3606 13.3614 14.0333 14.0334 14.6806 14.6811 14.8402 14.8420 k = 0.0748 0.5000 0.4965 ( 2716 PWs) bands (ev): -44.8891 -44.8891 -21.6942 -21.6940 -21.1248 -21.1245 -20.8695 -20.8694 -13.7490 -13.7490 -9.3281 -9.3279 -6.7946 -6.7942 -5.1246 -5.1245 -0.1222 -0.1213 1.5485 1.5505 4.4562 4.4562 5.2375 5.2383 5.9266 5.9266 7.0680 7.0705 7.8222 7.8241 8.2646 8.2659 9.0770 9.0776 9.2874 9.2888 9.4932 9.4935 12.6529 12.6533 13.3306 13.3315 14.0386 14.0388 14.6812 14.6818 14.8404 14.8425 k = 0.0872 0.5000 0.4965 ( 2718 PWs) bands (ev): -44.8890 -44.8890 -21.6947 -21.6944 -21.1256 -21.1252 -20.8696 -20.8695 -13.7478 -13.7478 -9.3208 -9.3205 -6.7841 -6.7837 -5.1471 -5.1470 -0.1247 -0.1238 1.5300 1.5323 4.5014 4.5014 5.2396 5.2405 5.9316 5.9316 7.0835 7.0863 7.8373 7.8394 8.2133 8.2148 9.0660 9.0668 9.2774 9.2790 9.4857 9.4859 12.6637 12.6641 13.2942 13.2952 14.0447 14.0449 14.6820 14.6827 14.8418 14.8443 k = 0.0997 0.5000 0.4965 ( 2712 PWs) bands (ev): -44.8890 -44.8890 -21.6951 -21.6948 -21.1263 -21.1259 -20.8697 -20.8696 -13.7464 -13.7463 -9.3123 -9.3121 -6.7721 -6.7717 -5.1726 -5.1725 -0.1277 -0.1267 1.5093 1.5118 4.5526 4.5526 5.2426 5.2435 5.9373 5.9373 7.1006 7.1037 7.8547 7.8571 8.1560 8.1576 9.0536 9.0546 9.2661 9.2680 9.4768 9.4770 12.6755 12.6759 13.2512 13.2522 14.0514 14.0516 14.6829 14.6837 14.8448 14.8476 k = 0.1122 0.5000 0.4965 ( 2716 PWs) bands (ev): -44.8890 -44.8890 -21.6957 -21.6953 -21.1272 -21.1267 -20.8698 -20.8697 -13.7448 -13.7447 -9.3029 -9.3025 -6.7587 -6.7582 -5.2010 -5.2008 -0.1312 -0.1300 1.4867 1.4894 4.6094 4.6095 5.2467 5.2477 5.9436 5.9436 7.1188 7.1223 7.8743 7.8770 8.0932 8.0950 9.0400 9.0412 9.2536 9.2556 9.4666 9.4668 12.6880 12.6883 13.2013 13.2023 14.0586 14.0589 14.6839 14.6848 14.8498 14.8529 k = 0.1246 0.5000 0.4965 ( 2716 PWs) bands (ev): -44.8889 -44.8889 -21.6962 -21.6958 -21.1282 -21.1276 -20.8700 -20.8699 -13.7430 -13.7430 -9.2924 -9.2920 -6.7440 -6.7435 -5.2321 -5.2319 -0.1350 -0.1337 1.4623 1.4653 4.6712 4.6712 5.2525 5.2536 5.9506 5.9507 7.1380 7.1416 7.8963 7.8992 8.0257 8.0275 9.0254 9.0267 9.2399 9.2422 9.4552 9.4552 12.7008 12.7011 13.1442 13.1452 14.0663 14.0665 14.6850 14.6860 14.8571 14.8605 k = 0.1371 0.5000 0.4965 ( 2714 PWs) bands (ev): -44.8889 -44.8889 -21.6969 -21.6964 -21.1292 -21.1286 -20.8701 -20.8700 -13.7411 -13.7411 -9.2809 -9.2805 -6.7281 -6.7275 -5.2656 -5.2654 -0.1393 -0.1379 1.4365 1.4397 4.7369 4.7370 5.2607 5.2618 5.9583 5.9583 7.1577 7.1615 7.9203 7.9234 7.9541 7.9560 9.0097 9.0113 9.2252 9.2277 9.4424 9.4424 12.7137 12.7139 13.0798 13.0808 14.0742 14.0745 14.6862 14.6873 14.8670 14.8706 k = 0.1495 0.5000 0.4965 ( 2714 PWs) bands (ev): -44.8889 -44.8889 -21.6975 -21.6971 -21.1303 -21.1297 -20.8703 -20.8702 -13.7391 -13.7391 -9.2684 -9.2680 -6.7109 -6.7103 -5.3014 -5.3011 -0.1441 -0.1426 1.4095 1.4129 4.8053 4.8054 5.2725 5.2735 5.9665 5.9666 7.1777 7.1817 7.8787 7.8806 7.9466 7.9499 8.9933 8.9951 9.2096 9.2122 9.4284 9.4285 12.7263 12.7264 13.0081 13.0091 14.0825 14.0827 14.6875 14.6888 14.8795 14.8834 k = 0.1620 0.5000 0.4965 ( 2712 PWs) bands (ev): -44.8888 -44.8888 -21.6982 -21.6978 -21.1314 -21.1308 -20.8705 -20.8704 -13.7369 -13.7369 -9.2551 -9.2546 -6.6927 -6.6920 -5.3392 -5.3389 -0.1494 -0.1478 1.3816 1.3852 4.8741 4.8743 5.2898 5.2907 5.9752 5.9754 7.1978 7.2019 7.8007 7.8027 7.9746 7.9781 8.9762 8.9783 9.1931 9.1960 9.4132 9.4135 12.7382 12.7382 12.9292 12.9301 14.0909 14.0911 14.6888 14.6903 14.8947 14.8988 k = 0.1745 0.5000 0.4965 ( 2710 PWs) bands (ev): -44.8888 -44.8888 -21.6990 -21.6985 -21.1326 -21.1320 -20.8706 -20.8705 -13.7347 -13.7346 -9.2408 -9.2404 -6.6734 -6.6727 -5.3788 -5.3785 -0.1551 -0.1534 1.3530 1.3567 4.9402 4.9405 5.3155 5.3163 5.9845 5.9847 7.2177 7.2220 7.7205 7.7225 8.0042 8.0079 8.9587 8.9610 9.1758 9.1790 9.3970 9.3974 12.7488 12.7490 12.8434 12.8442 14.0994 14.0997 14.6902 14.6918 14.9125 14.9169 k = 0.1869 0.5000 0.4965 ( 2712 PWs) bands (ev): -44.8887 -44.8887 -21.6998 -21.6992 -21.1339 -21.1332 -20.8708 -20.8707 -13.7323 -13.7323 -9.2258 -9.2254 -6.6533 -6.6526 -5.4200 -5.4197 -0.1613 -0.1595 1.3241 1.3279 4.9993 4.9997 5.3536 5.3542 5.9942 5.9946 7.2374 7.2417 7.6386 7.6407 8.0353 8.0392 8.9407 8.9433 9.1580 9.1613 9.3798 9.3804 12.7457 12.7461 12.7633 12.7633 14.1080 14.1082 14.6915 14.6934 14.9329 14.9375 k = 0.1994 0.5000 0.4965 ( 2708 PWs) bands (ev): -44.8887 -44.8887 -21.7006 -21.7000 -21.1352 -21.1344 -20.8710 -20.8709 -13.7299 -13.7298 -9.2100 -9.2096 -6.6324 -6.6317 -5.4625 -5.4622 -0.1680 -0.1661 1.2950 1.2989 5.0474 5.0481 5.4077 5.4079 6.0045 6.0050 7.2566 7.2609 7.5558 7.5579 8.0675 8.0716 8.9226 8.9255 9.1396 9.1432 9.3618 9.3626 12.6494 12.6502 12.7673 12.7678 14.1166 14.1168 14.6929 14.6951 14.9554 14.9604 k = 0.2119 0.5000 0.4965 ( 2704 PWs) bands (ev): -44.8886 -44.8886 -21.7014 -21.7008 -21.1365 -21.1357 -20.8711 -20.8710 -13.7273 -13.7273 -9.1936 -9.1931 -6.6108 -6.6101 -5.5061 -5.5057 -0.1751 -0.1732 1.2659 1.2699 5.0833 5.0842 5.4784 5.4786 6.0154 6.0161 7.2753 7.2795 7.4727 7.4748 8.1006 8.1049 8.9044 8.9077 9.1209 9.1247 9.3431 9.3441 12.5435 12.5443 12.7730 12.7738 14.1252 14.1254 14.6943 14.6968 14.9791 14.9851 k = 0.2243 0.5000 0.4965 ( 2706 PWs) bands (ev): -44.8886 -44.8886 -21.7023 -21.7017 -21.1378 -21.1370 -20.8713 -20.8712 -13.7248 -13.7248 -9.1765 -9.1760 -6.5888 -6.5880 -5.5505 -5.5501 -0.1827 -0.1808 1.2372 1.2412 5.1087 5.1097 5.5634 5.5639 6.0272 6.0281 7.2933 7.2975 7.3897 7.3919 8.1342 8.1388 8.8862 8.8900 9.1018 9.1058 9.3238 9.3250 12.4314 12.4321 12.7768 12.7778 14.1336 14.1338 14.6955 14.6984 14.9771 14.9785 k = 0.2368 0.5000 0.4965 ( 2702 PWs) bands (ev): -44.8885 -44.8885 -21.7031 -21.7025 -21.1391 -21.1384 -20.8715 -20.8714 -13.7222 -13.7222 -9.1589 -9.1584 -6.5663 -6.5655 -5.5955 -5.5951 -0.1907 -0.1887 1.2091 1.2131 5.1265 5.1276 5.6588 5.6598 6.0404 6.0417 7.3069 7.3094 7.3114 7.3151 8.1681 8.1729 8.8683 8.8725 9.0825 9.0868 9.3042 9.3056 12.3135 12.3143 12.7783 12.7796 14.1420 14.1422 14.6967 14.7001 14.9348 14.9387 k = 0.2492 0.5000 0.4965 ( 2704 PWs) bands (ev): -44.8885 -44.8885 -21.7040 -21.7034 -21.1405 -21.1397 -20.8717 -20.8716 -13.7196 -13.7196 -9.1408 -9.1403 -6.5435 -6.5428 -5.6408 -5.6404 -0.1991 -0.1971 1.1816 1.1856 5.1393 5.1404 5.7598 5.7616 6.0567 6.0587 7.2268 7.2289 7.3275 7.3314 8.2019 8.2070 8.8507 8.8554 9.0632 9.0678 9.2842 9.2858 12.1904 12.1911 12.7774 12.7789 14.1502 14.1504 14.6977 14.7017 14.8972 14.9019 k = 0.2617 0.5000 0.4965 ( 2702 PWs) bands (ev): -44.8884 -44.8884 -21.7049 -21.7043 -21.1418 -21.1410 -20.8719 -20.8718 -13.7170 -13.7169 -9.1223 -9.1218 -6.5206 -6.5199 -5.6861 -5.6857 -0.2078 -0.2059 1.1550 1.1589 5.1489 5.1500 5.8593 5.8622 6.0809 6.0840 7.1480 7.1502 7.3434 7.3473 8.2353 8.2407 8.8337 8.8389 9.0439 9.0487 9.2640 9.2659 12.0623 12.0630 12.7741 12.7758 14.1583 14.1584 14.6986 14.7032 14.8645 14.8698 k = 0.2742 0.5000 0.4965 ( 2700 PWs) bands (ev): -44.8884 -44.8884 -21.7057 -21.7052 -21.1431 -21.1423 -20.8720 -20.8719 -13.7144 -13.7143 -9.1036 -9.1031 -6.4978 -6.4970 -5.7313 -5.7309 -0.2169 -0.2149 1.1294 1.1333 5.1563 5.1574 5.9426 5.9467 6.1263 6.1307 7.0718 7.0740 7.3587 7.3624 8.2680 8.2738 8.8172 8.8230 9.0247 9.0299 9.2439 9.2461 11.9297 11.9304 12.7684 12.7704 14.1661 14.1662 14.6993 14.7047 14.8367 14.8426 k = 0.2866 0.5000 0.4965 ( 2698 PWs) bands (ev): -44.8883 -44.8883 -21.7066 -21.7060 -21.1444 -21.1436 -20.8722 -20.8721 -13.7118 -13.7118 -9.0847 -9.0842 -6.4750 -6.4743 -5.7761 -5.7757 -0.2262 -0.2243 1.1049 1.1087 5.1622 5.1633 5.9936 5.9976 6.2092 6.2135 6.9988 7.0009 7.3732 7.3768 8.2996 8.3059 8.8015 8.8079 9.0057 9.0113 9.2239 9.2264 11.7930 11.7937 12.7605 12.7627 14.1737 14.1738 14.6998 14.7060 14.8136 14.8202 k = 0.2991 0.5000 0.4965 ( 2702 PWs) bands (ev): -44.8883 -44.8883 -21.7075 -21.7069 -21.1457 -21.1449 -20.8724 -20.8722 -13.7092 -13.7092 -9.0658 -9.0653 -6.4526 -6.4519 -5.8202 -5.8197 -0.2357 -0.2338 1.0817 1.0854 5.1672 5.1682 6.0189 6.0221 6.3212 6.3248 6.9297 6.9318 7.3870 7.3904 8.3300 8.3368 8.7867 8.7938 8.9871 8.9930 9.2041 9.2070 11.6525 11.6533 12.7506 12.7530 14.1810 14.1811 14.7002 14.7074 14.7949 14.8023 k = 0.3115 0.5000 0.4965 ( 2704 PWs) bands (ev): -44.8882 -44.8882 -21.7083 -21.7078 -21.1469 -21.1462 -20.8725 -20.8724 -13.7068 -13.7068 -9.0469 -9.0464 -6.4306 -6.4299 -5.8633 -5.8629 -0.2452 -0.2434 1.0597 1.0633 5.1713 5.1724 6.0319 6.0346 6.4467 6.4498 6.8655 6.8676 7.4001 7.4033 8.3588 8.3661 8.7730 8.7807 8.9689 8.9753 9.1847 9.1879 11.5087 11.5096 12.7389 12.7415 14.1880 14.1881 14.7006 14.7087 14.7803 14.7885 k = 0.3240 0.5000 0.4965 ( 2708 PWs) bands (ev): -44.8882 -44.8882 -21.7092 -21.7087 -21.1482 -21.1475 -20.8727 -20.8725 -13.7044 -13.7044 -9.0283 -9.0278 -6.4091 -6.4085 -5.9052 -5.9048 -0.2548 -0.2530 1.0392 1.0426 5.1749 5.1759 6.0388 6.0410 6.5772 6.5800 6.8084 6.8104 7.4124 7.4154 8.3857 8.3936 8.7604 8.7689 8.9513 8.9581 9.1659 9.1695 11.3621 11.3629 12.7259 12.7285 14.1947 14.1948 14.7011 14.7100 14.7692 14.7781 k = 0.3365 0.5000 0.4965 ( 2712 PWs) bands (ev): -44.8881 -44.8881 -21.7100 -21.7095 -21.1493 -21.1487 -20.8728 -20.8727 -13.7021 -13.7021 -9.0100 -9.0095 -6.3884 -6.3878 -5.9457 -5.9453 -0.2643 -0.2626 1.0201 1.0234 5.1781 5.1790 6.0414 6.0433 6.6908 6.6934 6.7782 6.7802 7.4239 7.4268 8.4106 8.4191 8.7492 8.7584 8.9343 8.9417 9.1476 9.1517 11.2130 11.2138 12.7117 12.7144 14.2011 14.2012 14.7019 14.7116 14.7611 14.7706 k = 0.3489 0.5000 0.4965 ( 2710 PWs) bands (ev): -44.8881 -44.8881 -21.7108 -21.7103 -21.1504 -21.1498 -20.8729 -20.8728 -13.6999 -13.6998 -8.9921 -8.9917 -6.3686 -6.3680 -5.9845 -5.9841 -0.2736 -0.2720 1.0025 1.0056 5.1809 5.1818 6.0405 6.0422 6.6851 6.6870 6.8764 6.8788 7.4347 7.4374 8.4331 8.4422 8.7396 8.7494 8.9182 8.9262 9.1301 9.1346 11.0619 11.0628 12.6968 12.6995 14.2072 14.2072 14.7032 14.7135 14.7553 14.7653 k = 0.3614 0.5000 0.4965 ( 2714 PWs) bands (ev): -44.8880 -44.8880 -21.7115 -21.7111 -21.1514 -21.1508 -20.8730 -20.8729 -13.6978 -13.6978 -8.9749 -8.9745 -6.3497 -6.3493 -6.0214 -6.0209 -0.2827 -0.2812 0.9863 0.9892 5.1834 5.1842 6.0365 6.0379 6.6463 6.6481 7.0160 7.0185 7.4448 7.4472 8.4531 8.4627 8.7317 8.7420 8.9030 8.9117 9.1133 9.1184 10.9093 10.9102 12.6815 12.6842 14.2128 14.2129 14.7051 14.7158 14.7514 14.7617 k = 0.3739 0.5000 0.4965 ( 2708 PWs) bands (ev): -44.8880 -44.8880 -21.7121 -21.7117 -21.1523 -21.1518 -20.8731 -20.8730 -13.6958 -13.6958 -8.9584 -8.9580 -6.3320 -6.3316 -6.0560 -6.0556 -0.2913 -0.2899 0.9716 0.9743 5.1857 5.1864 6.0296 6.0308 6.6104 6.6120 7.1606 7.1631 7.4540 7.4562 8.4705 8.4804 8.7255 8.7362 8.8889 8.8984 9.0974 9.1032 10.7558 10.7567 12.6663 12.6689 14.2181 14.2181 14.7077 14.7186 14.7489 14.7594 k = 0.3863 0.5000 0.4965 ( 2708 PWs) bands (ev): -44.8880 -44.8880 -21.7128 -21.7124 -21.1532 -21.1527 -20.8732 -20.8731 -13.6940 -13.6940 -8.9429 -8.9425 -6.3156 -6.3153 -6.0883 -6.0878 -0.2996 -0.2983 0.9584 0.9609 5.1877 5.1883 6.0202 6.0213 6.5797 6.5812 7.3067 7.3095 7.4625 7.4645 8.4853 8.4953 8.7213 8.7321 8.8761 8.8866 9.0823 9.0888 10.6020 10.6030 12.6514 12.6539 14.2229 14.2229 14.7107 14.7219 14.7472 14.7580 k = 0.3988 0.5000 0.4965 ( 2716 PWs) bands (ev): -44.8879 -44.8879 -21.7134 -21.7130 -21.1540 -21.1536 -20.8733 -20.8732 -13.6924 -13.6923 -8.9285 -8.9281 -6.3006 -6.3003 -6.1178 -6.1173 -0.3072 -0.3060 0.9467 0.9489 5.1894 5.1900 6.0088 6.0097 6.5545 6.5558 7.4527 7.4557 7.4706 7.4722 8.4974 8.5072 8.7190 8.7296 8.8648 8.8763 9.0680 9.0754 10.4488 10.4498 12.6371 12.6395 14.2273 14.2273 14.7141 14.7255 14.7462 14.7571 k = 0.4112 0.5000 0.4965 ( 2720 PWs) bands (ev): -44.8879 -44.8879 -21.7139 -21.7136 -21.1548 -21.1543 -20.8734 -20.8733 -13.6909 -13.6909 -8.9153 -8.9150 -6.2871 -6.2869 -6.1445 -6.1440 -0.3142 -0.3132 0.9364 0.9383 5.1910 5.1915 5.9962 5.9970 6.5343 6.5354 7.4767 7.4784 7.5987 7.6018 8.5071 8.5163 8.7184 8.7284 8.8552 8.8681 9.0544 9.0629 10.2972 10.2982 12.6239 12.6260 14.2312 14.2312 14.7178 14.7293 14.7456 14.7567 k = 0.4237 0.5000 0.4965 ( 2718 PWs) bands (ev): -44.8879 -44.8879 -21.7144 -21.7141 -21.1554 -21.1550 -20.8734 -20.8734 -13.6896 -13.6895 -8.9035 -8.9032 -6.2752 -6.2752 -6.1680 -6.1674 -0.3205 -0.3196 0.9275 0.9292 5.1923 5.1928 5.9832 5.9838 6.5186 6.5195 7.4827 7.4841 7.7414 7.7449 8.5146 8.5230 8.7191 8.7283 8.8479 8.8624 9.0414 9.0511 10.1487 10.1497 12.6118 12.6138 14.2346 14.2347 14.7215 14.7330 14.7454 14.7564 k = 0.4362 0.5000 0.4965 ( 2722 PWs) bands (ev): -44.8879 -44.8879 -21.7148 -21.7145 -21.1559 -21.1556 -20.8735 -20.8735 -13.6884 -13.6884 -8.8932 -8.8929 -6.2654 -6.2652 -6.1880 -6.1874 -0.3259 -0.3251 0.9200 0.9215 5.1935 5.1939 5.9705 5.9710 6.5066 6.5074 7.4879 7.4890 7.8793 7.8831 8.5202 8.5276 8.7209 8.7290 8.8433 8.8597 9.0284 9.0397 10.0053 10.0063 12.6012 12.6029 14.2376 14.2376 14.7251 14.7364 14.7454 14.7563 k = 0.4486 0.5000 0.4965 ( 2724 PWs) bands (ev): -44.8879 -44.8879 -21.7151 -21.7149 -21.1563 -21.1561 -20.8736 -20.8735 -13.6875 -13.6875 -8.8845 -8.8843 -6.2576 -6.2573 -6.2044 -6.2037 -0.3305 -0.3298 0.9140 0.9151 5.1945 5.1948 5.9590 5.9594 6.4978 6.4984 7.4921 7.4930 8.0090 8.0131 8.5243 8.5304 8.7233 8.7300 8.8424 8.8609 9.0149 9.0281 9.8703 9.8711 12.5923 12.5937 14.2400 14.2400 14.7285 14.7391 14.7459 14.7562 k = 0.4611 0.5000 0.4965 ( 2728 PWs) bands (ev): -44.8878 -44.8878 -21.7153 -21.7152 -21.1567 -21.1565 -20.8736 -20.8736 -13.6867 -13.6867 -8.8776 -8.8774 -6.2524 -6.2519 -6.2165 -6.2157 -0.3341 -0.3336 0.9093 0.9102 5.1952 5.1954 5.9493 5.9495 6.4915 6.4920 7.4954 7.4962 8.1255 8.1298 8.5273 8.5320 8.7258 8.7310 8.8466 8.8673 8.9999 9.0154 9.7485 9.7491 12.5851 12.5862 14.2420 14.2420 14.7315 14.7404 14.7473 14.7559 k = 0.4736 0.5000 0.4965 ( 2728 PWs) bands (ev): -44.8878 -44.8878 -21.7155 -21.7154 -21.1569 -21.1567 -20.8737 -20.8737 -13.6862 -13.6862 -8.8725 -8.8724 -6.2499 -6.2495 -6.2238 -6.2231 -0.3367 -0.3364 0.9059 0.9065 5.1958 5.1959 5.9418 5.9420 6.4874 6.4877 7.4979 7.4984 8.2217 8.2257 8.5295 8.5327 8.7281 8.7318 8.8571 8.8793 8.9828 9.0003 9.6473 9.6477 12.5799 12.5807 14.2434 14.2434 14.7341 14.7405 14.7492 14.7554 k = 0.4860 0.5000 0.4965 ( 2726 PWs) bands (ev): -44.8878 -44.8878 -21.7156 -21.7155 -21.1570 -21.1569 -20.8737 -20.8737 -13.6859 -13.6859 -8.8693 -8.8692 -6.2498 -6.2495 -6.2268 -6.2263 -0.3383 -0.3382 0.9039 0.9042 5.1961 5.1962 5.9371 5.9372 6.4850 6.4851 7.4995 7.4998 8.2883 8.2911 8.5309 8.5327 8.7300 8.7321 8.8741 8.8941 8.9655 8.9824 9.5768 9.5769 12.5767 12.5771 14.2442 14.2442 14.7363 14.7399 14.7512 14.7546 k = 0.4985 0.5000 0.4965 ( 2728 PWs) bands (ev): -44.8878 -44.8878 -21.7156 -21.7156 -21.1571 -21.1570 -20.8737 -20.8737 -13.6857 -13.6857 -8.8681 -8.8680 -6.2501 -6.2500 -6.2274 -6.2273 -0.3389 -0.3389 0.9032 0.9033 5.1963 5.1963 5.9353 5.9353 6.4841 6.4841 7.5002 7.5002 8.3164 8.3170 8.5319 8.5323 8.7313 8.7317 8.8906 8.8959 8.9623 8.9670 9.5476 9.5476 12.5756 12.5757 14.2446 14.2446 14.7381 14.7388 14.7528 14.7534 k = 0.4985 0.5000 0.4965 ( 2728 PWs) bands (ev): -44.8878 -44.8878 -21.7156 -21.7156 -21.1571 -21.1570 -20.8737 -20.8737 -13.6857 -13.6857 -8.8681 -8.8680 -6.2501 -6.2500 -6.2274 -6.2273 -0.3389 -0.3389 0.9032 0.9033 5.1963 5.1963 5.9353 5.9353 6.4841 6.4841 7.5002 7.5002 8.3164 8.3170 8.5319 8.5323 8.7313 8.7317 8.8906 8.8959 8.9623 8.9670 9.5476 9.5476 12.5756 12.5757 14.2446 14.2446 14.7381 14.7388 14.7528 14.7534 k = 0.4896 0.4911 0.4965 ( 2736 PWs) bands (ev): -44.8878 -44.8878 -21.7156 -21.7156 -21.1571 -21.1570 -20.8737 -20.8737 -13.6859 -13.6859 -8.8694 -8.8694 -6.2499 -6.2495 -6.2267 -6.2261 -0.3383 -0.3381 0.9039 0.9044 5.1961 5.1962 5.9372 5.9373 6.4851 6.4854 7.4994 7.4997 8.2855 8.2894 8.5304 8.5328 8.7296 8.7324 8.8681 8.8931 8.9669 8.9877 9.5796 9.5798 12.5768 12.5774 14.2442 14.2442 14.7354 14.7400 14.7510 14.7555 k = 0.4807 0.4821 0.4965 ( 2748 PWs) bands (ev): -44.8878 -44.8878 -21.7156 -21.7155 -21.1570 -21.1569 -20.8737 -20.8737 -13.6862 -13.6862 -8.8728 -8.8726 -6.2494 -6.2488 -6.2243 -6.2234 -0.3366 -0.3362 0.9060 0.9068 5.1957 5.1959 5.9420 5.9422 6.4879 6.4883 7.4977 7.4984 8.2214 8.2271 8.5282 8.5327 8.7272 8.7323 8.8123 8.8315 9.0306 9.0433 9.6488 9.6493 12.5802 12.5812 14.2433 14.2433 14.7316 14.7383 14.7513 14.7578 k = 0.4718 0.4732 0.4965 ( 2736 PWs) bands (ev): -44.8878 -44.8878 -21.7154 -21.7152 -21.1568 -21.1565 -20.8736 -20.8736 -13.6868 -13.6868 -8.8781 -8.8779 -6.2486 -6.2480 -6.2200 -6.2191 -0.3339 -0.3332 0.9094 0.9106 5.1951 5.1954 5.9496 5.9499 6.4924 6.4930 7.4951 7.4961 8.1379 8.1445 8.5252 8.5318 8.7236 8.7268 8.7349 8.7452 9.1210 9.1277 9.7402 9.7411 12.5857 12.5873 14.2418 14.2418 14.7262 14.7330 14.7545 14.7609 k = 0.4629 0.4643 0.4965 ( 2728 PWs) bands (ev): -44.8879 -44.8879 -21.7151 -21.7148 -21.1564 -21.1560 -20.8736 -20.8735 -13.6876 -13.6876 -8.8853 -8.8850 -6.2479 -6.2476 -6.2135 -6.2127 -0.3301 -0.3292 0.9141 0.9158 5.1943 5.1947 5.9600 5.9604 6.4983 6.4991 7.4916 7.4929 8.0443 8.0513 8.5205 8.5291 8.6355 8.6478 8.7207 8.7305 9.2242 9.2277 9.8441 9.8453 12.5933 12.5953 14.2398 14.2398 14.7188 14.7250 14.7596 14.7652 k = 0.4540 0.4554 0.4965 ( 2724 PWs) bands (ev): -44.8879 -44.8879 -21.7148 -21.7145 -21.1559 -21.1555 -20.8735 -20.8734 -13.6885 -13.6885 -8.8945 -8.8941 -6.2476 -6.2474 -6.2048 -6.2042 -0.3252 -0.3241 0.9202 0.9223 5.1933 5.1938 5.9730 5.9735 6.5057 6.5067 7.4872 7.4888 7.9459 7.9529 8.5040 8.5132 8.5465 8.5590 8.7161 8.7283 9.3350 9.3365 9.9550 9.9565 12.6029 12.6054 14.2374 14.2374 14.7092 14.7146 14.7661 14.7709 k = 0.4451 0.4464 0.4965 ( 2720 PWs) bands (ev): -44.8879 -44.8879 -21.7144 -21.7140 -21.1554 -21.1549 -20.8734 -20.8733 -13.6897 -13.6897 -8.9055 -8.9050 -6.2480 -6.2473 -6.1939 -6.1937 -0.3194 -0.3180 0.9276 0.9301 5.1921 5.1927 5.9885 5.9890 6.5144 6.5155 7.4819 7.4838 7.8453 7.8523 8.4201 8.4290 8.5218 8.5358 8.7108 8.7254 9.4503 9.4507 10.0700 10.0718 12.6144 12.6174 14.2344 14.2344 14.6974 14.7022 14.7741 14.7781 k = 0.4362 0.4375 0.4965 ( 2720 PWs) bands (ev): -44.8879 -44.8879 -21.7139 -21.7135 -21.1548 -21.1542 -20.8734 -20.8733 -13.6911 -13.6911 -8.9183 -8.9178 -6.2486 -6.2474 -6.1810 -6.1809 -0.3125 -0.3109 0.9363 0.9392 5.1906 5.1914 6.0061 6.0067 6.5239 6.5252 7.4758 7.4780 7.7445 7.7513 8.3171 8.3256 8.5153 8.5312 8.7049 8.7218 9.5683 9.5688 10.1875 10.1895 12.6276 12.6312 14.2310 14.2310 14.6834 14.6877 14.7835 14.7867 k = 0.4273 0.4286 0.4965 ( 2716 PWs) bands (ev): -44.8879 -44.8879 -21.7133 -21.7128 -21.1540 -21.1533 -20.8733 -20.8732 -13.6927 -13.6927 -8.9328 -8.9322 -6.2494 -6.2478 -6.1664 -6.1659 -0.3045 -0.3027 0.9463 0.9497 5.1889 5.1898 6.0256 6.0261 6.5341 6.5355 7.4689 7.4714 7.6444 7.6511 8.2137 8.2218 8.5098 8.5278 8.6983 8.7176 9.6884 9.6894 10.3065 10.3086 12.6426 12.6467 14.2272 14.2272 14.6673 14.6711 14.7943 14.7969 k = 0.4184 0.4196 0.4965 ( 2714 PWs) bands (ev): -44.8880 -44.8880 -21.7127 -21.7121 -21.1532 -21.1524 -20.8732 -20.8731 -13.6944 -13.6944 -8.9490 -8.9484 -6.2504 -6.2483 -6.1498 -6.1491 -0.2957 -0.2936 0.9575 0.9614 5.1871 5.1880 6.0464 6.0469 6.5444 6.5460 7.4612 7.4640 7.5460 7.5525 8.1122 8.1200 8.5042 8.5242 8.6910 8.7126 9.8101 9.8115 10.4263 10.4285 12.6590 12.6636 14.2230 14.2231 14.6492 14.6525 14.8065 14.8085 k = 0.4095 0.4107 0.4965 ( 2714 PWs) bands (ev): -44.8880 -44.8880 -21.7120 -21.7114 -21.1522 -21.1514 -20.8731 -20.8730 -13.6964 -13.6964 -8.9669 -8.9661 -6.2515 -6.2491 -6.1315 -6.1304 -0.2858 -0.2835 0.9700 0.9743 5.1849 5.1860 6.0681 6.0685 6.5544 6.5561 7.4500 7.4529 7.4546 7.4575 8.0140 8.0216 8.4983 8.5203 8.6830 8.7069 9.9329 9.9347 10.5464 10.5487 12.6768 12.6820 14.2185 14.2186 14.6289 14.6319 14.8203 14.8217 k = 0.4006 0.4018 0.4965 ( 2710 PWs) bands (ev): -44.8881 -44.8881 -21.7113 -21.7106 -21.1512 -21.1503 -20.8730 -20.8729 -13.6985 -13.6985 -8.9862 -8.9854 -6.2528 -6.2499 -6.1113 -6.1101 -0.2750 -0.2724 0.9837 0.9885 5.1826 5.1838 6.0898 6.0901 6.5632 6.5651 7.3575 7.3634 7.4437 7.4470 7.9204 7.9278 8.4919 8.5159 8.6743 8.7005 10.0566 10.0585 10.6665 10.6688 12.6958 12.7015 14.2138 14.2138 14.6067 14.6094 14.8355 14.8365 k = 0.3917 0.3929 0.4965 ( 2714 PWs) bands (ev): -44.8881 -44.8881 -21.7105 -21.7098 -21.1501 -21.1492 -20.8729 -20.8728 -13.7008 -13.7008 -9.0070 -9.0061 -6.2542 -6.2510 -6.0895 -6.0880 -0.2633 -0.2604 0.9986 1.0039 5.1799 5.1813 6.1106 6.1107 6.5700 6.5720 7.2692 7.2747 7.4339 7.4374 7.8327 7.8400 8.4850 8.5110 8.6650 8.6934 10.1807 10.1828 10.7862 10.7886 12.7159 12.7221 14.2088 14.2088 14.5826 14.5850 14.8523 14.8527 k = 0.3828 0.3839 0.4965 ( 2710 PWs) bands (ev): -44.8882 -44.8882 -21.7096 -21.7088 -21.1489 -21.1479 -20.8728 -20.8727 -13.7032 -13.7032 -9.0291 -9.0282 -6.2556 -6.2521 -6.0661 -6.0644 -0.2507 -0.2476 1.0147 1.0204 5.1771 5.1785 6.1290 6.1292 6.5737 6.5758 7.1864 7.1916 7.4235 7.4272 7.7524 7.7596 8.4775 8.5055 8.6549 8.6856 10.3050 10.3072 10.9055 10.9078 12.7368 12.7436 14.2036 14.2037 14.5566 14.5587 14.8705 14.8706 k = 0.3739 0.3750 0.4965 ( 2714 PWs) bands (ev): -44.8882 -44.8882 -21.7087 -21.7079 -21.1477 -21.1466 -20.8727 -20.8725 -13.7058 -13.7058 -9.0525 -9.0515 -6.2572 -6.2533 -6.0411 -6.0393 -0.2372 -0.2338 1.0319 1.0381 5.1739 5.1754 6.1432 6.1438 6.5727 6.5748 7.1109 7.1156 7.4125 7.4164 7.6813 7.6883 8.4695 8.4994 8.6442 8.6771 10.4294 10.4317 11.0239 11.0263 12.7583 12.7657 14.1983 14.1984 14.5288 14.5307 14.8898 14.8904 k = 0.3650 0.3661 0.4965 ( 2714 PWs) bands (ev): -44.8883 -44.8883 -21.7077 -21.7068 -21.1463 -21.1452 -20.8726 -20.8724 -13.7085 -13.7085 -9.0771 -9.0760 -6.2588 -6.2546 -6.0147 -6.0128 -0.2229 -0.2192 1.0502 1.0569 5.1704 5.1721 6.1513 6.1524 6.5652 6.5673 7.0450 7.0493 7.4010 7.4051 7.6208 7.6279 8.4610 8.4927 8.6328 8.6679 10.5536 10.5559 11.1415 11.1438 12.7803 12.7883 14.1929 14.1930 14.4993 14.5009 14.9105 14.9117 k = 0.3561 0.3571 0.4965 ( 2718 PWs) bands (ev): -44.8883 -44.8883 -21.7066 -21.7058 -21.1449 -21.1438 -20.8725 -20.8723 -13.7114 -13.7114 -9.1027 -9.1015 -6.2604 -6.2560 -5.9869 -5.9849 -0.2078 -0.2039 1.0695 1.0768 5.1666 5.1684 6.1513 6.1530 6.5489 6.5506 6.9918 6.9958 7.3891 7.3933 7.5725 7.5796 8.4519 8.4853 8.6208 8.6580 10.6774 10.6798 11.2579 11.2603 12.8027 12.8112 14.1874 14.1875 14.4681 14.4695 14.9326 14.9343 k = 0.3472 0.3482 0.4965 ( 2726 PWs) bands (ev): -44.8884 -44.8884 -21.7056 -21.7047 -21.1434 -21.1423 -20.8724 -20.8722 -13.7144 -13.7144 -9.1294 -9.1281 -6.2621 -6.2575 -5.9579 -5.9557 -0.1920 -0.1877 1.0899 1.0977 5.1624 5.1643 6.1413 6.1437 6.5213 6.5225 6.9546 6.9585 7.3767 7.3811 7.5374 7.5445 8.4421 8.4772 8.6081 8.6474 10.8007 10.8030 11.3731 11.3754 12.8251 12.8342 14.1819 14.1820 14.4353 14.4365 14.9558 14.9582 k = 0.3383 0.3393 0.4965 ( 2722 PWs) bands (ev): -44.8884 -44.8884 -21.7044 -21.7035 -21.1419 -21.1406 -20.8722 -20.8720 -13.7175 -13.7175 -9.1568 -9.1555 -6.2639 -6.2590 -5.9276 -5.9253 -0.1754 -0.1709 1.1112 1.1196 5.1578 5.1599 6.1202 6.1234 6.4812 6.4816 6.9354 6.9396 7.3640 7.3685 7.5157 7.5230 8.4318 8.4685 8.5949 8.6361 10.9233 10.9256 11.4870 11.4892 12.8475 12.8572 14.1763 14.1765 14.4010 14.4020 14.9789 14.9827 k = 0.3294 0.3304 0.4965 ( 2718 PWs) bands (ev): -44.8885 -44.8885 -21.7032 -21.7022 -21.1402 -21.1389 -20.8721 -20.8719 -13.7207 -13.7206 -9.1851 -9.1836 -6.2656 -6.2606 -5.8962 -5.8938 -0.1582 -0.1534 1.1335 1.1424 5.1527 5.1550 6.0883 6.0923 6.4287 6.4293 6.9340 6.9385 7.3510 7.3555 7.5069 7.5144 8.4208 8.4589 8.5810 8.6241 11.0450 11.0473 11.5993 11.6015 12.8697 12.8800 14.1708 14.1711 14.3654 14.3662 14.9693 14.9780 k = 0.3204 0.3214 0.4965 ( 2718 PWs) bands (ev): -44.8886 -44.8886 -21.7019 -21.7010 -21.1385 -21.1372 -20.8719 -20.8717 -13.7240 -13.7239 -9.2140 -9.2125 -6.2674 -6.2622 -5.8637 -5.8613 -0.1404 -0.1352 1.1566 1.1661 5.1472 5.1495 6.0467 6.0514 6.3662 6.3677 6.9480 6.9531 7.3377 7.3423 7.5099 7.5177 8.4092 8.4486 8.5667 8.6115 11.1658 11.1679 11.7100 11.7121 12.8916 12.9025 14.1653 14.1656 14.3286 14.3292 14.9182 14.9265 k = 0.3115 0.3125 0.4965 ( 2722 PWs) bands (ev): -44.8886 -44.8886 -21.7007 -21.6997 -21.1368 -21.1355 -20.8717 -20.8715 -13.7273 -13.7273 -9.2434 -9.2419 -6.2692 -6.2639 -5.8303 -5.8279 -0.1219 -0.1165 1.1806 1.1906 5.1410 5.1435 5.9973 6.0027 6.2967 6.2990 6.9744 6.9801 7.3241 7.3288 7.5232 7.5314 8.3969 8.4375 8.5518 8.5981 11.2853 11.2874 11.8189 11.8209 12.9131 12.9245 14.1598 14.1602 14.2908 14.2911 14.8639 14.8724 k = 0.3026 0.3036 0.4965 ( 2714 PWs) bands (ev): -44.8887 -44.8887 -21.6993 -21.6983 -21.1350 -21.1337 -20.8715 -20.8713 -13.7308 -13.7307 -9.2734 -9.2718 -6.2710 -6.2656 -5.7961 -5.7936 -0.1029 -0.0972 1.2053 1.2159 5.1341 5.1367 5.9423 5.9481 6.2225 6.2255 7.0103 7.0168 7.3104 7.3151 7.5453 7.5541 8.3839 8.4255 8.5365 8.5842 11.4034 11.4054 11.9260 11.9278 12.9339 12.9460 14.1539 14.1545 14.2522 14.2522 14.8079 14.8167 k = 0.2937 0.2946 0.4965 ( 2714 PWs) bands (ev): -44.8888 -44.8888 -21.6980 -21.6970 -21.1332 -21.1318 -20.8713 -20.8711 -13.7342 -13.7342 -9.3037 -9.3020 -6.2728 -6.2673 -5.7611 -5.7586 -0.0835 -0.0774 1.2308 1.2420 5.1263 5.1291 5.8834 5.8895 6.1456 6.1490 7.0536 7.0609 7.2966 7.3013 7.5748 7.5844 8.3703 8.4126 8.5208 8.5696 11.5201 11.5220 12.0310 12.0327 12.9541 12.9668 14.1473 14.1482 14.2132 14.2136 14.7507 14.7598 k = 0.2848 0.2857 0.4965 ( 2712 PWs) bands (ev): -44.8888 -44.8888 -21.6966 -21.6956 -21.1313 -21.1299 -20.8712 -20.8709 -13.7378 -13.7377 -9.3343 -9.3326 -6.2746 -6.2690 -5.7254 -5.7230 -0.0636 -0.0572 1.2569 1.2686 5.1175 5.1205 5.8221 5.8285 6.0671 6.0709 7.1026 7.1107 7.2827 7.2874 7.6105 7.6209 8.3560 8.3987 8.5048 8.5544 11.6351 11.6368 12.1340 12.1355 12.9735 12.9868 14.1370 14.1386 14.1768 14.1780 14.6926 14.7019 k = 0.2759 0.2768 0.4965 ( 2714 PWs) bands (ev): -44.8889 -44.8889 -21.6952 -21.6942 -21.1294 -21.1281 -20.8710 -20.8708 -13.7413 -13.7413 -9.3651 -9.3633 -6.2763 -6.2706 -5.6892 -5.6867 -0.0433 -0.0367 1.2836 1.2959 5.1075 5.1108 5.7599 5.7662 5.9883 5.9923 7.1560 7.1651 7.2687 7.2735 7.6513 7.6626 8.3411 8.3839 8.4886 8.5387 11.7482 11.7498 12.2347 12.2360 12.9922 13.0060 14.1136 14.1155 14.1534 14.1549 14.6336 14.6433 k = 0.2670 0.2679 0.4965 ( 2714 PWs) bands (ev): -44.8890 -44.8890 -21.6938 -21.6928 -21.1275 -21.1261 -20.8708 -20.8706 -13.7449 -13.7449 -9.3959 -9.3941 -6.2781 -6.2723 -5.6525 -5.6501 -0.0227 -0.0158 1.3109 1.3236 5.0960 5.0995 5.6975 5.7037 5.9100 5.9141 7.2128 7.2230 7.2547 7.2595 7.6964 7.7087 8.3255 8.3682 8.4721 8.5224 11.8594 11.8607 12.3330 12.3341 13.0099 13.0244 14.0766 14.0779 14.1441 14.1451 14.5742 14.5842 k = 0.2581 0.2589 0.4965 ( 2722 PWs) bands (ev): -44.8891 -44.8891 -21.6924 -21.6914 -21.1256 -21.1242 -20.8707 -20.8704 -13.7485 -13.7485 -9.4267 -9.4249 -6.2798 -6.2740 -5.6155 -5.6131 -0.0018 0.0054 1.3386 1.3518 5.0827 5.0866 5.6358 5.6415 5.8333 5.8371 7.2405 7.2456 7.2727 7.2839 7.7450 7.7584 8.3093 8.3514 8.4556 8.5057 11.9683 11.9694 12.4289 12.4297 13.0268 13.0419 14.0354 14.0364 14.1385 14.1391 14.5146 14.5249 k = 0.2492 0.2500 0.4965 ( 2718 PWs) bands (ev): -44.8891 -44.8891 -21.6910 -21.6900 -21.1236 -21.1223 -20.8705 -20.8702 -13.7521 -13.7521 -9.4574 -9.4555 -6.2814 -6.2757 -5.5782 -5.5758 0.0193 0.0267 1.3666 1.3803 5.0673 5.0715 5.5752 5.5801 5.7590 5.7623 7.2268 7.2317 7.3345 7.3469 7.7965 7.8111 8.2924 8.3337 8.4389 8.4885 12.0748 12.0756 12.5223 12.5228 13.0428 13.0585 13.9928 13.9937 14.1339 14.1344 14.4551 14.4656 k = 0.2403 0.2411 0.4965 ( 2710 PWs) bands (ev): -44.8892 -44.8892 -21.6895 -21.6885 -21.1216 -21.1203 -20.8702 -20.8700 -13.7557 -13.7556 -9.4879 -9.4860 -6.2830 -6.2773 -5.5407 -5.5384 0.0405 0.0481 1.3950 1.4092 5.0494 5.0540 5.5158 5.5195 5.6882 5.6908 7.2130 7.2180 7.3980 7.4117 7.8504 7.8662 8.2750 8.3151 8.4223 8.4710 12.1788 12.1792 12.6129 12.6131 13.0579 13.0742 13.9496 13.9505 14.1299 14.1303 14.3959 14.4067 k = 0.2314 0.2321 0.4965 ( 2714 PWs) bands (ev): -44.8893 -44.8893 -21.6881 -21.6871 -21.1196 -21.1183 -20.8700 -20.8698 -13.7592 -13.7592 -9.5181 -9.5162 -6.2846 -6.2789 -5.5033 -5.5010 0.0618 0.0696 1.4236 1.4382 5.0285 5.0336 5.4575 5.4595 5.6221 5.6236 7.1994 7.2044 7.4629 7.4778 7.9061 7.9232 8.2570 8.2957 8.4057 8.4531 12.2799 12.2800 12.7005 12.7008 13.0720 13.0890 13.9062 13.9072 14.1262 14.1266 14.3375 14.3486 k = 0.2225 0.2232 0.4965 ( 2714 PWs) bands (ev): -44.8894 -44.8894 -21.6866 -21.6857 -21.1176 -21.1164 -20.8699 -20.8696 -13.7627 -13.7627 -9.5479 -9.5460 -6.2861 -6.2805 -5.4659 -5.4637 0.0831 0.0911 1.4524 1.4673 5.0045 5.0102 5.3996 5.3996 5.5622 5.5622 7.1860 7.1910 7.5288 7.5450 7.9633 7.9817 8.2386 8.2755 8.3891 8.4350 12.3776 12.3779 12.7849 12.7857 13.0853 13.1029 13.8628 13.8639 14.1228 14.1230 14.2801 14.2915 k = 0.2136 0.2143 0.4965 ( 2712 PWs) bands (ev): -44.8894 -44.8894 -21.6852 -21.6843 -21.1157 -21.1144 -20.8697 -20.8695 -13.7662 -13.7662 -9.5773 -9.5754 -6.2876 -6.2820 -5.4287 -5.4266 0.1044 0.1126 1.4812 1.4964 4.9772 4.9835 5.3393 5.3414 5.5078 5.5095 7.1728 7.1778 7.5955 7.6129 8.0215 8.0412 8.2196 8.2546 8.3725 8.4167 12.4719 12.4727 12.8663 12.8676 13.0977 13.1159 13.8196 13.8210 14.1195 14.1196 14.2244 14.2359 k = 0.2047 0.2054 0.4965 ( 2720 PWs) bands (ev): -44.8895 -44.8895 -21.6838 -21.6829 -21.1138 -21.1126 -20.8695 -20.8693 -13.7696 -13.7696 -9.6061 -9.6042 -6.2889 -6.2835 -5.3919 -5.3898 0.1256 0.1338 1.5099 1.5254 4.9466 4.9536 5.2782 5.2825 5.4614 5.4644 7.1598 7.1648 7.6625 7.6812 8.0804 8.1014 8.2003 8.2331 8.3561 8.3982 12.5624 12.5638 12.9444 12.9464 13.1093 13.1282 13.7767 13.7785 14.1162 14.1162 14.1707 14.1824 k = 0.1958 0.1964 0.4965 ( 2724 PWs) bands (ev): -44.8896 -44.8896 -21.6824 -21.6816 -21.1119 -21.1107 -20.8693 -20.8691 -13.7730 -13.7730 -9.6343 -9.6324 -6.2903 -6.2849 -5.3554 -5.3534 0.1465 0.1549 1.5386 1.5543 4.9131 4.9208 5.2168 5.2228 5.4227 5.4268 7.1471 7.1521 7.7298 7.7498 8.1394 8.1618 8.1808 8.2113 8.3398 8.3797 12.6488 12.6508 13.0192 13.0219 13.1200 13.1397 13.7344 13.7367 14.1096 14.1123 14.1229 14.1321 k = 0.1869 0.1875 0.4965 ( 2724 PWs) bands (ev): -44.8896 -44.8896 -21.6811 -21.6802 -21.1100 -21.1089 -20.8691 -20.8689 -13.7763 -13.7762 -9.6618 -9.6600 -6.2915 -6.2863 -5.3195 -5.3176 0.1673 0.1757 1.5670 1.5828 4.8773 4.8856 5.1555 5.1628 5.3912 5.3958 7.1347 7.1397 7.7970 7.8183 8.1607 8.1890 8.1987 8.2221 8.3238 8.3612 12.7306 12.7334 13.0904 13.0938 13.1300 13.1506 13.6928 13.6957 14.0693 14.0819 14.1116 14.1120 k = 0.1780 0.1786 0.4965 ( 2720 PWs) bands (ev): -44.8897 -44.8897 -21.6797 -21.6789 -21.1081 -21.1070 -20.8689 -20.8687 -13.7795 -13.7794 -9.6885 -9.6867 -6.2927 -6.2876 -5.2842 -5.2824 0.1877 0.1961 1.5951 1.6110 4.8398 4.8487 5.0950 5.1033 5.3655 5.3705 7.1227 7.1277 7.8641 7.8866 8.1408 8.1667 8.2572 8.2809 8.3088 8.3428 12.8072 12.8109 13.1391 13.1563 13.1582 13.1669 13.6520 13.6557 14.0251 14.0380 14.1083 14.1088 k = 0.1691 0.1696 0.4965 ( 2720 PWs) bands (ev): -44.8898 -44.8898 -21.6784 -21.6776 -21.1063 -21.1053 -20.8688 -20.8686 -13.7826 -13.7825 -9.7144 -9.7126 -6.2938 -6.2889 -5.2498 -5.2480 0.2077 0.2160 1.6228 1.6387 4.8012 4.8107 5.0359 5.0448 5.3446 5.3498 7.1110 7.1159 7.9307 7.9543 8.1209 8.1444 8.2907 8.3148 8.3247 8.3422 12.8780 12.8825 13.1476 13.1689 13.2223 13.2288 13.6123 13.6168 13.9852 13.9984 14.1055 14.1059 k = 0.1602 0.1607 0.4965 ( 2722 PWs) bands (ev): -44.8898 -44.8898 -21.6772 -21.6764 -21.1045 -21.1035 -20.8686 -20.8684 -13.7856 -13.7855 -9.7393 -9.7376 -6.2949 -6.2901 -5.2162 -5.2145 0.2272 0.2355 1.6500 1.6658 4.7623 4.7723 4.9785 4.9880 5.3276 5.3328 7.0996 7.1046 7.9966 8.0213 8.1010 8.1221 8.2756 8.3067 8.3714 8.3995 12.9420 12.9475 13.1554 13.1778 13.2828 13.2904 13.5737 13.5792 13.9506 13.9641 14.1027 14.1032 k = 0.1513 0.1518 0.4965 ( 2722 PWs) bands (ev): -44.8899 -44.8899 -21.6759 -21.6752 -21.1028 -21.1019 -20.8684 -20.8683 -13.7884 -13.7884 -9.7633 -9.7617 -6.2958 -6.2913 -5.1836 -5.1821 0.2462 0.2544 1.6765 1.6922 4.7237 4.7340 4.9232 4.9330 5.3137 5.3187 7.0887 7.0936 8.0617 8.0791 8.0896 8.1002 8.2605 8.2891 8.4264 8.4556 12.9983 13.0048 13.1625 13.1860 13.3399 13.3488 13.5364 13.5431 13.9222 13.9361 14.1000 14.1005 k = 0.1424 0.1429 0.4965 ( 2722 PWs) bands (ev): -44.8900 -44.8900 -21.6747 -21.6741 -21.1012 -21.1003 -20.8683 -20.8681 -13.7912 -13.7912 -9.7863 -9.7847 -6.2967 -6.2924 -5.1522 -5.1507 0.2646 0.2726 1.7023 1.7178 4.6858 4.6964 4.8702 4.8803 5.3022 5.3071 7.0783 7.0830 8.0613 8.0786 8.1257 8.1530 8.2456 8.2720 8.4795 8.5098 13.0459 13.0532 13.1689 13.1935 13.3939 13.4036 13.5010 13.5087 13.9010 13.9152 14.0974 14.0978 k = 0.1335 0.1339 0.4965 ( 2726 PWs) bands (ev): -44.8900 -44.8900 -21.6736 -21.6730 -21.0996 -21.0988 -20.8681 -20.8680 -13.7938 -13.7938 -9.8081 -9.8066 -6.2976 -6.2934 -5.1220 -5.1206 0.2823 0.2901 1.7273 1.7424 4.6490 4.6598 4.8197 4.8301 5.2926 5.2974 7.0683 7.0729 8.0423 8.0575 8.1884 8.2160 8.2313 8.2560 8.5303 8.5617 13.0839 13.0919 13.1747 13.2006 13.4446 13.4501 13.4727 13.4767 13.8874 13.9019 14.0947 14.0952 k = 0.1246 0.1250 0.4965 ( 2726 PWs) bands (ev): -44.8901 -44.8901 -21.6725 -21.6719 -21.0981 -21.0973 -20.8679 -20.8678 -13.7963 -13.7963 -9.8288 -9.8274 -6.2983 -6.2944 -5.0931 -5.0918 0.2993 0.3069 1.7514 1.7660 4.6137 4.6246 4.7720 4.7825 5.2847 5.2892 7.0587 7.0633 8.0238 8.0371 8.2168 8.2376 8.2502 8.2805 8.5786 8.6109 13.1120 13.1204 13.1797 13.2071 13.4309 13.4443 13.4956 13.5092 13.8815 13.8962 14.0921 14.0927 k = 0.1157 0.1161 0.4965 ( 2730 PWs) bands (ev): -44.8901 -44.8901 -21.6715 -21.6710 -21.0967 -21.0960 -20.8678 -20.8677 -13.7987 -13.7987 -9.8483 -9.8470 -6.2990 -6.2953 -5.0657 -5.0645 0.3155 0.3228 1.7744 1.7885 4.5802 4.5911 4.7270 4.7376 5.2780 5.2823 7.0497 7.0541 8.0059 8.0175 8.2036 8.2228 8.3096 8.3404 8.6239 8.6572 13.1305 13.1391 13.1839 13.2131 13.4005 13.4160 13.5427 13.5565 13.8828 13.8976 14.0896 14.0902 k = 0.1068 0.1071 0.4965 ( 2730 PWs) bands (ev): -44.8902 -44.8902 -21.6705 -21.6700 -21.0954 -21.0947 -20.8677 -20.8676 -13.8009 -13.8009 -9.8666 -9.8653 -6.2996 -6.2962 -5.0399 -5.0387 0.3308 0.3377 1.7963 1.8098 4.5486 4.5595 4.6851 4.6955 5.2724 5.2765 7.0413 7.0455 7.9887 7.9987 8.1908 8.2082 8.3673 8.3988 8.6660 8.7002 13.1406 13.1493 13.1868 13.2185 13.3714 13.3897 13.5884 13.6022 13.8900 13.9048 14.0871 14.0878 k = 0.0979 0.0982 0.4965 ( 2730 PWs) bands (ev): -44.8902 -44.8902 -21.6696 -21.6692 -21.0941 -21.0935 -20.8676 -20.8674 -13.8030 -13.8029 -9.8835 -9.8823 -6.3001 -6.2969 -5.0157 -5.0147 0.3452 0.3517 1.8169 1.8297 4.5191 4.5299 4.6461 4.6565 5.2677 5.2715 7.0334 7.0374 7.9724 7.9811 8.1788 8.1943 8.4228 8.4551 8.7046 8.7395 13.1436 13.1525 13.1887 13.2234 13.3441 13.3657 13.6325 13.6460 13.9017 13.9163 14.0847 14.0855 k = 0.0890 0.0893 0.4965 ( 2726 PWs) bands (ev): -44.8903 -44.8903 -21.6688 -21.6683 -21.0929 -21.0923 -20.8674 -20.8673 -13.8048 -13.8048 -9.8991 -9.8980 -6.3006 -6.2977 -4.9932 -4.9923 0.3586 0.3646 1.8362 1.8482 4.4920 4.5026 4.6103 4.6204 5.2637 5.2673 7.0261 7.0298 7.9572 7.9645 8.1675 8.1812 8.4760 8.5090 8.7394 8.7750 13.1413 13.1502 13.1895 13.2277 13.3188 13.3444 13.6745 13.6877 13.9161 13.9304 14.0826 14.0835 k = 0.0801 0.0804 0.4965 ( 2730 PWs) bands (ev): -44.8903 -44.8903 -21.6680 -21.6676 -21.0919 -21.0914 -20.8673 -20.8672 -13.8066 -13.8066 -9.9134 -9.9124 -6.3010 -6.2984 -4.9727 -4.9718 0.3709 0.3765 1.8541 1.8651 4.4673 4.4775 4.5777 4.5874 5.2604 5.2637 7.0194 7.0229 7.9430 7.9492 8.1571 8.1691 8.5265 8.5601 8.7702 8.8063 13.1354 13.1439 13.1896 13.2315 13.2957 13.3257 13.7142 13.7269 13.9317 13.9456 14.0808 14.0818 k = 0.0712 0.0714 0.4965 ( 2722 PWs) bands (ev): -44.8903 -44.8903 -21.6673 -21.6669 -21.0908 -21.0904 -20.8672 -20.8671 -13.8081 -13.8081 -9.9262 -9.9253 -6.3014 -6.2990 -4.9540 -4.9532 0.3821 0.3872 1.8704 1.8805 4.4451 4.4548 4.5483 4.5576 5.2577 5.2607 7.0133 7.0166 7.9301 7.9352 8.1476 8.1580 8.5741 8.6082 8.7968 8.8332 13.1273 13.1352 13.1888 13.2347 13.2750 13.3099 13.7513 13.7633 13.9471 13.9605 14.0796 14.0806 k = 0.0623 0.0625 0.4965 ( 2722 PWs) bands (ev): -44.8904 -44.8904 -21.6666 -21.6663 -21.0900 -21.0896 -20.8671 -20.8670 -13.8095 -13.8095 -9.9376 -9.9368 -6.3017 -6.2996 -4.9373 -4.9367 0.3922 0.3967 1.8851 1.8941 4.4256 4.4346 4.5224 4.5311 5.2555 5.2581 7.0080 7.0109 7.9184 7.9227 8.1391 8.1480 8.6186 8.6531 8.8190 8.8556 13.1182 13.1253 13.1872 13.2363 13.2575 13.2969 13.7855 13.7968 13.9611 13.9738 14.0791 14.0802 k = 0.0534 0.0536 0.4965 ( 2726 PWs) bands (ev): -44.8904 -44.8904 -21.6661 -21.6659 -21.0892 -21.0889 -20.8670 -20.8669 -13.8107 -13.8107 -9.9475 -9.9468 -6.3019 -6.3001 -4.9227 -4.9222 0.4010 0.4050 1.8981 1.9060 4.4087 4.4169 4.4998 4.5078 5.2536 5.2560 7.0033 7.0058 7.9082 7.9116 8.1317 8.1392 8.6596 8.6943 8.8368 8.8734 13.1090 13.1152 13.1849 13.2318 13.2482 13.2865 13.8165 13.8271 13.9726 13.9845 14.0797 14.0807 k = 0.0445 0.0446 0.4965 ( 2728 PWs) bands (ev): -44.8904 -44.8904 -21.6656 -21.6654 -21.0886 -21.0883 -20.8670 -20.8669 -13.8117 -13.8117 -9.9559 -9.9553 -6.3020 -6.3005 -4.9103 -4.9098 0.4087 0.4120 1.9094 1.9160 4.3945 4.4017 4.4808 4.4878 5.2522 5.2542 6.9993 7.0015 7.8994 7.9021 8.1254 8.1315 8.6970 8.7314 8.8503 8.8863 13.1004 13.1057 13.1823 13.2200 13.2480 13.2785 13.8442 13.8540 13.9812 13.9920 14.0815 14.0823 k = 0.0356 0.0357 0.4965 ( 2728 PWs) bands (ev): -44.8904 -44.8904 -21.6653 -21.6651 -21.0880 -21.0878 -20.8669 -20.8669 -13.8126 -13.8126 -9.9628 -9.9624 -6.3021 -6.3009 -4.9000 -4.8996 0.4150 0.4177 1.9188 1.9242 4.3830 4.3891 4.4653 4.4712 5.2511 5.2527 6.9961 6.9979 7.8922 7.8942 8.1202 8.1251 8.7304 8.7639 8.8597 8.8945 13.0928 13.0971 13.1798 13.2082 13.2499 13.2724 13.8683 13.8771 13.9865 13.9961 14.0842 14.0847 k = 0.0267 0.0268 0.4965 ( 2724 PWs) bands (ev): -44.8904 -44.8904 -21.6649 -21.6648 -21.0876 -21.0874 -20.8668 -20.8668 -13.8132 -13.8132 -9.9682 -9.9678 -6.3022 -6.3013 -4.8919 -4.8917 0.4201 0.4221 1.9263 1.9304 4.3743 4.3790 4.4534 4.4580 5.2504 5.2516 6.9937 6.9950 7.8865 7.8880 8.1163 8.1199 8.7595 8.7907 8.8658 8.8980 13.0868 13.0901 13.1780 13.1981 13.2520 13.2677 13.8887 13.8962 13.9890 13.9971 14.0873 14.0876 k = 0.0178 0.0179 0.4965 ( 2720 PWs) bands (ev): -44.8905 -44.8905 -21.6647 -21.6646 -21.0872 -21.0871 -20.8668 -20.8668 -13.8137 -13.8137 -9.9720 -9.9718 -6.3022 -6.3015 -4.8861 -4.8860 0.4238 0.4252 1.9320 1.9347 4.3683 4.3716 4.4452 4.4483 5.2499 5.2507 6.9920 6.9928 7.8825 7.8835 8.1137 8.1161 8.7838 8.8098 8.8704 8.8971 13.0825 13.0847 13.1771 13.1900 13.2542 13.2641 13.9048 13.9106 13.9897 13.9958 14.0902 14.0903 k = 0.0089 0.0089 0.4965 ( 2724 PWs) bands (ev): -44.8905 -44.8905 -21.6646 -21.6645 -21.0870 -21.0870 -20.8668 -20.8668 -13.8140 -13.8140 -9.9743 -9.9742 -6.3021 -6.3018 -4.8826 -4.8826 0.4262 0.4269 1.9356 1.9370 4.3651 4.3668 4.4405 4.4421 5.2497 5.2501 6.9910 6.9915 7.8802 7.8807 8.1123 8.1135 8.8027 8.8181 8.8764 8.8922 13.0800 13.0811 13.1777 13.1840 13.2564 13.2612 13.9159 13.9192 13.9900 13.9933 14.0922 14.0922 k = 0.0000 0.0000 0.4965 ( 2730 PWs) bands (ev): -44.8905 -44.8905 -21.6645 -21.6645 -21.0870 -21.0870 -20.8668 -20.8668 -13.8141 -13.8141 -9.9750 -9.9750 -6.3020 -6.3020 -4.8815 -4.8815 0.4272 0.4272 1.9373 1.9373 4.3646 4.3646 4.4395 4.4395 5.2498 5.2498 6.9909 6.9909 7.8796 7.8796 8.1122 8.1122 8.8150 8.8150 8.8845 8.8845 13.0796 13.0796 13.1799 13.1799 13.2587 13.2587 13.9210 13.9210 13.9911 13.9911 14.0929 14.0929 k = 0.0000 0.0000 0.4965 ( 2730 PWs) bands (ev): -44.8905 -44.8905 -21.6645 -21.6645 -21.0870 -21.0870 -20.8668 -20.8668 -13.8141 -13.8141 -9.9750 -9.9750 -6.3020 -6.3020 -4.8815 -4.8815 0.4272 0.4272 1.9373 1.9373 4.3646 4.3646 4.4395 4.4395 5.2498 5.2498 6.9909 6.9909 7.8796 7.8796 8.1122 8.1122 8.8150 8.8150 8.8845 8.8845 13.0796 13.0796 13.1799 13.1799 13.2587 13.2587 13.9210 13.9210 13.9911 13.9911 14.0929 14.0929 k = 0.0000 0.0000 0.4840 ( 2730 PWs) bands (ev): -44.8905 -44.8905 -21.6645 -21.6645 -21.0870 -21.0870 -20.8668 -20.8667 -13.8155 -13.8155 -9.9718 -9.9717 -6.3020 -6.3020 -4.8813 -4.8810 0.4225 0.4292 1.9354 1.9354 4.3565 4.3737 4.4414 4.4428 5.2165 5.2183 7.0162 7.0265 7.8848 7.8864 8.1131 8.1132 8.8149 8.8149 8.8844 8.8844 13.0783 13.0799 13.1797 13.1803 13.2582 13.2592 13.9211 13.9211 13.9852 13.9873 14.0868 14.0883 k = 0.0000 0.0000 0.4716 ( 2734 PWs) bands (ev): -44.8905 -44.8905 -21.6646 -21.6645 -21.0870 -21.0870 -20.8667 -20.8667 -13.8199 -13.8199 -9.9621 -9.9619 -6.3022 -6.3022 -4.8807 -4.8800 0.4153 0.4287 1.9298 1.9298 4.3471 4.3844 4.4480 4.4514 5.1277 5.1284 7.0956 7.1138 7.9030 7.9066 8.1158 8.1159 8.8146 8.8147 8.8842 8.8842 13.0760 13.0792 13.1797 13.1811 13.2578 13.2597 13.9212 13.9214 13.9668 13.9718 14.0740 14.0760 k = 0.0000 0.0000 0.4592 ( 2736 PWs) bands (ev): -44.8905 -44.8905 -21.6646 -21.6645 -21.0870 -21.0870 -20.8667 -20.8666 -13.8271 -13.8270 -9.9459 -9.9456 -6.3024 -6.3024 -4.8794 -4.8784 0.4054 0.4255 1.9205 1.9205 4.3320 4.3959 4.4590 4.4655 4.9941 5.0055 7.2103 7.2324 7.9381 7.9448 8.1203 8.1204 8.8142 8.8143 8.8838 8.8838 13.0728 13.0776 13.1797 13.1820 13.2573 13.2603 13.9203 13.9217 13.9321 13.9400 14.0619 14.0633 k = 0.0000 0.0000 0.4468 ( 2740 PWs) bands (ev): -44.8905 -44.8905 -21.6646 -21.6645 -21.0871 -21.0870 -20.8666 -20.8666 -13.8369 -13.8369 -9.9234 -9.9229 -6.3027 -6.3027 -4.8776 -4.8762 0.3929 0.4198 1.9077 1.9077 4.3016 4.4043 4.4732 4.4849 4.8376 4.8721 7.3374 7.3594 7.9973 8.0089 8.1266 8.1267 8.8137 8.8138 8.8833 8.8833 13.0686 13.0750 13.1796 13.1832 13.2568 13.2609 13.8764 13.8899 13.9227 13.9229 14.0540 14.0547 k = 0.0000 0.0000 0.4344 ( 2738 PWs) bands (ev): -44.8905 -44.8905 -21.6645 -21.6645 -21.0871 -21.0870 -20.8665 -20.8664 -13.8494 -13.8494 -9.8947 -9.8942 -6.3031 -6.3031 -4.8752 -4.8734 0.3778 0.4116 1.8917 1.8917 4.2386 4.3911 4.4889 4.5094 4.6896 4.7561 7.4555 7.4740 8.0901 8.1082 8.1354 8.1358 8.8130 8.8131 8.8826 8.8827 13.0637 13.0715 13.1791 13.1842 13.2562 13.2614 13.8093 13.8263 13.9234 13.9234 14.0495 14.0498 k = 0.0000 0.0000 0.4220 ( 2740 PWs) bands (ev): -44.8905 -44.8905 -21.6645 -21.6645 -21.0871 -21.0871 -20.8664 -20.8663 -13.8643 -13.8643 -9.8601 -9.8594 -6.3036 -6.3036 -4.8721 -4.8700 0.3602 0.4009 1.8726 1.8727 4.1257 4.3015 4.5063 4.5384 4.6120 4.6822 7.5504 7.5637 8.1432 8.1438 8.2260 8.2513 8.8122 8.8123 8.8819 8.8820 13.0578 13.0671 13.1778 13.1850 13.2553 13.2618 13.7329 13.7533 13.9243 13.9243 14.0470 14.0470 k = 0.0000 0.0000 0.4096 ( 2732 PWs) bands (ev): -44.8905 -44.8905 -21.6645 -21.6644 -21.0871 -21.0870 -20.8661 -20.8660 -13.8815 -13.8814 -9.8197 -9.8190 -6.3042 -6.3042 -4.8683 -4.8659 0.3400 0.3878 1.8509 1.8509 3.9659 4.1301 4.5292 4.5708 4.6109 4.6525 7.6206 7.6295 8.1549 8.1553 8.3969 8.4282 8.8112 8.8114 8.8810 8.8811 13.0508 13.0618 13.1750 13.1851 13.2539 13.2620 13.6508 13.6751 13.9253 13.9254 14.0455 14.0456 k = 0.0000 0.0000 0.3972 ( 2732 PWs) bands (ev): -44.8905 -44.8905 -21.6645 -21.6644 -21.0871 -21.0871 -20.8660 -20.8658 -13.9007 -13.9006 -9.7740 -9.7731 -6.3049 -6.3049 -4.8639 -4.8611 0.3174 0.3723 1.8268 1.8268 3.7767 3.9278 4.5579 4.6040 4.6380 4.6549 7.6727 7.6787 8.1679 8.1683 8.5950 8.6304 8.8102 8.8104 8.8800 8.8801 13.0426 13.0555 13.1698 13.1836 13.2517 13.2618 13.5664 13.5952 13.9265 13.9266 14.0447 14.0448 k = 0.0000 0.0000 0.3848 ( 2740 PWs) bands (ev): -44.8905 -44.8905 -21.6645 -21.6644 -21.0871 -21.0871 -20.8658 -20.8656 -13.9217 -13.9216 -9.7230 -9.7221 -6.3057 -6.3056 -4.8587 -4.8555 0.2922 0.3545 1.8005 1.8006 3.5720 3.7149 4.5909 4.6346 4.6761 4.6804 7.7142 7.7182 8.1824 8.1828 8.8036 8.8085 8.8163 8.8491 8.8789 8.8791 13.0323 13.0477 13.1606 13.1789 13.2482 13.2612 13.4838 13.5174 13.9278 13.9279 14.0443 14.0445 k = 0.0000 0.0000 0.3723 ( 2740 PWs) bands (ev): -44.8905 -44.8905 -21.6644 -21.6643 -21.0871 -21.0871 -20.8655 -20.8654 -13.9442 -13.9442 -9.6673 -9.6663 -6.3065 -6.3065 -4.8527 -4.8492 0.2644 0.3343 1.7725 1.7726 3.3595 3.4983 4.6273 4.6640 4.7204 4.7208 7.7498 7.7526 8.1984 8.1988 8.8075 8.8075 8.8776 8.8777 9.0376 9.0771 13.0185 13.0374 13.1451 13.1671 13.2431 13.2598 13.4094 13.4470 13.9292 13.9294 14.0443 14.0444 k = 0.0000 0.0000 0.3599 ( 2736 PWs) bands (ev): -44.8906 -44.8906 -21.6644 -21.6643 -21.0872 -21.0871 -20.8652 -20.8650 -13.9682 -13.9681 -9.6071 -9.6059 -6.3074 -6.3073 -4.8459 -4.8420 0.2340 0.3118 1.7428 1.7432 3.1434 3.2808 4.6666 4.6961 4.7687 4.7693 7.7825 7.7845 8.2158 8.2162 8.8061 8.8062 8.8763 8.8764 9.2708 9.3115 12.9976 13.0217 13.1218 13.1419 13.2370 13.2577 13.3526 13.3900 13.9307 13.9309 14.0444 14.0446 k = 0.0000 0.0000 0.3475 ( 2728 PWs) bands (ev): -44.8906 -44.8906 -21.6643 -21.6642 -21.0872 -21.0872 -20.8648 -20.8646 -13.9932 -13.9931 -9.5427 -9.5414 -6.3083 -6.3083 -4.8381 -4.8338 0.2009 0.2868 1.7119 1.7125 2.9265 3.0643 4.7084 4.7317 4.8210 4.8217 7.8139 7.8153 8.2345 8.2350 8.8045 8.8047 8.8748 8.8750 9.5080 9.5495 12.9629 12.9924 13.0941 13.1048 13.2318 13.2550 13.3186 13.3503 13.9323 13.9325 14.0447 14.0449 k = 0.0000 0.0000 0.3351 ( 2728 PWs) bands (ev): -44.8906 -44.8906 -21.6643 -21.6642 -21.0872 -21.0872 -20.8645 -20.8643 -14.0192 -14.0191 -9.4745 -9.4732 -6.3093 -6.3093 -4.8294 -4.8246 0.1648 0.2592 1.6799 1.6808 2.7104 2.8501 4.7524 4.7706 4.8763 4.8771 7.8450 7.8460 8.2545 8.2550 8.8029 8.8031 8.8733 8.8735 9.7472 9.7894 12.9082 12.9376 13.0699 13.0736 13.2286 13.2521 13.3012 13.3261 13.9339 13.9342 14.0450 14.0453 k = 0.0000 0.0000 0.3227 ( 2724 PWs) bands (ev): -44.8906 -44.8906 -21.6642 -21.6641 -21.0872 -21.0872 -20.8642 -20.8639 -14.0458 -14.0457 -9.4029 -9.4015 -6.3103 -6.3103 -4.8195 -4.8144 0.1256 0.2288 1.6469 1.6482 2.4970 2.6395 4.7984 4.8123 4.9341 4.9348 7.8764 7.8771 8.2756 8.2761 8.8012 8.8014 8.8718 8.8720 9.9872 10.0299 12.8359 12.8602 13.0524 13.0549 13.2269 13.2494 13.2920 13.3121 13.9356 13.9359 14.0455 14.0457 k = 0.0000 0.0000 0.3103 ( 2714 PWs) bands (ev): -44.8906 -44.8906 -21.6641 -21.6640 -21.0872 -21.0872 -20.8638 -20.8635 -14.0729 -14.0728 -9.3283 -9.3268 -6.3114 -6.3114 -4.8085 -4.8030 0.0827 0.1952 1.6127 1.6150 2.2876 2.4337 4.8460 4.8563 4.9938 4.9944 7.9083 7.9088 8.2978 8.2983 8.7995 8.7997 8.8702 8.8704 10.2268 10.2699 12.7528 12.7716 13.0396 13.0427 13.2261 13.2472 13.2864 13.3038 13.9373 13.9376 14.0461 14.0463 k = 0.0000 0.0000 0.2979 ( 2717 PWs) bands (ev): -44.8906 -44.8906 -21.6641 -21.6640 -21.0873 -21.0873 -20.8634 -20.8631 -14.1003 -14.1002 -9.2510 -9.2494 -6.3125 -6.3125 -4.7962 -4.7902 0.0359 0.1580 1.5767 1.5808 2.0845 2.2340 4.8949 4.9023 5.0549 5.0554 7.9411 7.9413 8.3208 8.3214 8.7977 8.7979 8.8685 8.8687 10.4650 10.5085 12.6642 12.6786 13.0293 13.0332 13.2255 13.2455 13.2825 13.2984 13.9389 13.9392 14.0467 14.0469 k = 0.0000 0.0000 0.2855 ( 2713 PWs) bands (ev): -44.8906 -44.8906 -21.6641 -21.6639 -21.0873 -21.0873 -20.8630 -20.8627 -14.1278 -14.1277 -9.1715 -9.1698 -6.3137 -6.3137 -4.7826 -4.7761 -0.0155 0.1163 1.5372 1.5454 1.8909 2.0421 4.9450 4.9499 5.1171 5.1176 7.9747 7.9748 8.3447 8.3453 8.7958 8.7961 8.8668 8.8671 10.7007 10.7447 12.5731 12.5843 13.0206 13.0252 13.2250 13.2441 13.2793 13.2944 13.9406 13.9409 14.0473 14.0475 k = 0.0000 0.0000 0.2731 ( 2713 PWs) bands (ev): -44.8907 -44.8907 -21.6640 -21.6639 -21.0874 -21.0873 -20.8626 -20.8623 -14.1552 -14.1551 -9.0901 -9.0883 -6.3149 -6.3149 -4.7674 -4.7605 -0.0723 0.0693 1.4873 1.5073 1.7154 1.8610 4.9958 4.9986 5.1800 5.1804 8.0092 8.0093 8.3693 8.3699 8.7939 8.7942 8.8650 8.8654 10.9329 10.9773 12.4818 12.4905 13.0129 13.0180 13.2244 13.2429 13.2765 13.2911 13.9421 13.9425 14.0479 14.0482 k = 0.0000 0.0000 0.2606 ( 2713 PWs) bands (ev): -44.8907 -44.8907 -21.6640 -21.6638 -21.0874 -21.0874 -20.8622 -20.8619 -14.1823 -14.1822 -9.0073 -9.0054 -6.3161 -6.3161 -4.7507 -4.7433 -0.1352 0.0157 1.4044 1.4618 1.5824 1.6967 5.0472 5.0483 5.2432 5.2436 8.0446 8.0447 8.3944 8.3951 8.7920 8.7923 8.8633 8.8636 11.1600 11.2050 12.3922 12.3991 13.0058 13.0113 13.2235 13.2418 13.2737 13.2882 13.9436 13.9440 14.0485 14.0488 k = 0.0000 0.0000 0.2482 ( 2717 PWs) bands (ev): -44.8907 -44.8907 -21.6639 -21.6638 -21.0874 -21.0874 -20.8618 -20.8615 -14.2090 -14.2089 -8.9234 -8.9215 -6.3173 -6.3173 -4.7322 -4.7243 -0.2053 -0.0462 1.2737 1.3939 1.5091 1.5657 5.0984 5.0988 5.3064 5.3067 8.0808 8.0810 8.4200 8.4206 8.7901 8.7904 8.8615 8.8619 11.3795 11.4249 12.3068 12.3126 12.9994 13.0051 13.2223 13.2407 13.2709 13.2855 13.9450 13.9454 14.0491 14.0494 k = 0.0000 0.0000 0.2358 ( 2717 PWs) bands (ev): -44.8907 -44.8907 -21.6639 -21.6637 -21.0875 -21.0875 -20.8614 -20.8611 -14.2351 -14.2350 -8.8390 -8.8370 -6.3185 -6.3184 -4.7118 -4.7034 -0.2834 -0.1180 1.1284 1.2868 1.4645 1.4863 5.1488 5.1504 5.3692 5.3695 8.1178 8.1181 8.4457 8.4464 8.7881 8.7885 8.8598 8.8602 11.5856 11.6305 12.2310 12.2373 12.9934 12.9993 13.2208 13.2397 13.2680 13.2828 13.9463 13.9467 14.0497 14.0500 k = 0.0000 0.0000 0.2234 ( 2713 PWs) bands (ev): -44.8907 -44.8907 -21.6638 -21.6637 -21.0875 -21.0875 -20.8610 -20.8607 -14.2606 -14.2605 -8.7545 -8.7524 -6.3196 -6.3196 -4.6894 -4.6805 -0.3702 -0.2014 0.9902 1.1613 1.4293 1.4391 5.1990 5.2016 5.4314 5.4317 8.1555 8.1558 8.4716 8.4723 8.7862 8.7867 8.8581 8.8585 11.7604 11.8001 12.1825 12.1947 12.9880 12.9939 13.2189 13.2388 13.2651 13.2805 13.9475 13.9478 14.0502 14.0505 k = 0.0000 0.0000 0.2110 ( 2717 PWs) bands (ev): -44.8908 -44.8908 -21.6638 -21.6636 -21.0876 -21.0875 -20.8606 -20.8604 -14.2853 -14.2852 -8.6703 -8.6682 -6.3208 -6.3208 -4.6648 -4.6554 -0.4663 -0.2976 0.8660 1.0388 1.3981 1.4035 5.2488 5.2522 5.4925 5.4928 8.1937 8.1940 8.4975 8.4982 8.7843 8.7848 8.8564 8.8569 11.8512 11.8736 12.2132 12.2443 12.9831 12.9888 13.2168 13.2379 13.2623 13.2786 13.9485 13.9488 14.0507 14.0510 k = 0.0000 0.0000 0.1986 ( 2709 PWs) bands (ev): -44.8908 -44.8908 -21.6637 -21.6636 -21.0876 -21.0875 -20.8602 -20.8599 -14.3091 -14.3090 -8.5870 -8.5849 -6.3220 -6.3220 -4.6380 -4.6280 -0.5714 -0.4068 0.7582 0.9266 1.3695 1.3729 5.2979 5.3018 5.5523 5.5526 8.2323 8.2326 8.5231 8.5238 8.7825 8.7830 8.8547 8.8552 11.8357 11.8454 12.3441 12.3908 12.9789 12.9843 13.2145 13.2371 13.2598 13.2779 13.9493 13.9497 14.0511 14.0514 k = 0.0000 0.0000 0.1862 ( 2709 PWs) bands (ev): -44.8908 -44.8908 -21.6637 -21.6635 -21.0876 -21.0876 -20.8598 -20.8595 -14.3318 -14.3317 -8.5051 -8.5030 -6.3231 -6.3231 -4.6088 -4.5983 -0.6850 -0.5280 0.6668 0.8265 1.3429 1.3451 5.3458 5.3503 5.6105 5.6108 8.2710 8.2713 8.5483 8.5490 8.7806 8.7812 8.8531 8.8537 11.7766 11.7817 12.5108 12.5670 12.9756 12.9805 13.2121 13.2363 13.2581 13.2797 13.9500 13.9504 14.0514 14.0517 k = 0.0000 0.0000 0.1738 ( 2705 PWs) bands (ev): -44.8908 -44.8908 -21.6636 -21.6635 -21.0876 -21.0876 -20.8594 -20.8592 -14.3535 -14.3534 -8.4250 -8.4229 -6.3242 -6.3242 -4.5772 -4.5661 -0.8058 -0.6589 0.5904 0.7386 1.3180 1.3196 5.3925 5.3972 5.6667 5.6670 8.3097 8.3100 8.5730 8.5736 8.7789 8.7795 8.8516 8.8522 11.7062 11.7092 12.6773 12.7433 12.9739 12.9781 13.2100 13.2353 13.2584 13.2869 13.9505 13.9509 14.0517 14.0520 k = 0.0000 0.0000 0.1613 ( 2713 PWs) bands (ev): -44.8908 -44.8908 -21.6636 -21.6635 -21.0877 -21.0877 -20.8591 -20.8589 -14.3740 -14.3739 -8.3474 -8.3453 -6.3252 -6.3252 -4.5430 -4.5314 -0.9321 -0.7968 0.5271 0.6621 1.2947 1.2959 5.4375 5.4423 5.7207 5.7210 8.3482 8.3484 8.5969 8.5975 8.7771 8.7778 8.8501 8.8507 11.6335 11.6354 12.8256 12.9012 12.9770 12.9836 13.2089 13.2336 13.2646 13.3054 13.9509 13.9513 14.0519 14.0521 k = 0.0000 0.0000 0.1489 ( 2713 PWs) bands (ev): -44.8908 -44.8908 -21.6635 -21.6634 -21.0877 -21.0877 -20.8588 -20.8586 -14.3932 -14.3932 -8.2727 -8.2707 -6.3262 -6.3262 -4.5064 -4.4943 -1.0621 -0.9389 0.4748 0.5960 1.2731 1.2740 5.4805 5.4854 5.7721 5.7724 8.3860 8.3862 8.6199 8.6205 8.7755 8.7762 8.8487 8.8494 11.5618 11.5630 12.9220 12.9579 13.0041 13.0616 13.2096 13.2312 13.2908 13.3462 13.9512 13.9515 14.0521 14.0522 k = 0.0000 0.0000 0.1365 ( 2717 PWs) bands (ev): -44.8909 -44.8909 -21.6635 -21.6634 -21.0878 -21.0878 -20.8584 -20.8583 -14.4111 -14.4111 -8.2014 -8.1995 -6.3271 -6.3271 -4.4674 -4.4549 -1.1935 -1.0825 0.4314 0.5391 1.2531 1.2538 5.5213 5.5262 5.8206 5.8209 8.4231 8.4232 8.6418 8.6423 8.7739 8.7746 8.8474 8.8481 11.4925 11.4932 12.9441 12.9597 13.0638 13.1324 13.2116 13.2281 13.3693 13.4212 13.9513 13.9516 14.0521 14.0522 k = 0.0000 0.0000 0.1241 ( 2717 PWs) bands (ev): -44.8909 -44.8909 -21.6635 -21.6634 -21.0878 -21.0878 -20.8581 -20.8580 -14.4277 -14.4276 -8.1342 -8.1324 -6.3280 -6.3280 -4.4262 -4.4134 -1.3245 -1.2251 0.3955 0.4901 1.2347 1.2353 5.5596 5.5643 5.8661 5.8663 8.4589 8.4590 8.6625 8.6630 8.7723 8.7731 8.8462 8.8469 11.4266 11.4269 12.9472 12.9583 13.1034 13.1536 13.2124 13.2244 13.4922 13.5262 13.9513 13.9517 14.0522 14.0522 k = 0.0000 0.0000 0.1117 ( 2721 PWs) bands (ev): -44.8909 -44.8909 -21.6635 -21.6634 -21.0878 -21.0878 -20.8579 -20.8577 -14.4428 -14.4428 -8.0716 -8.0699 -6.3288 -6.3288 -4.3833 -4.3702 -1.4528 -1.3645 0.3656 0.4480 1.2181 1.2185 5.5952 5.5997 5.9081 5.9084 8.4932 8.4933 8.6817 8.6821 8.7708 8.7717 8.8451 8.8458 11.3648 11.3648 12.9474 12.9566 13.1229 13.1574 13.2115 13.2206 13.6240 13.6441 13.9512 13.9516 14.0521 14.0522 k = 0.0000 0.0000 0.0993 ( 2721 PWs) bands (ev): -44.8909 -44.8909 -21.6634 -21.6634 -21.0879 -21.0879 -20.8576 -20.8574 -14.4565 -14.4564 -8.0140 -8.0124 -6.3296 -6.3296 -4.3390 -4.3259 -1.5766 -1.4986 0.3409 0.4119 1.2030 1.2034 5.6277 5.6319 5.9465 5.9467 8.5256 8.5257 8.6994 8.6998 8.7694 8.7704 8.8441 8.8448 11.3075 11.3076 12.9470 12.9549 13.1318 13.1560 13.2096 13.2168 13.7504 13.7618 13.9511 13.9514 14.0520 14.0523 k = 0.0000 0.0000 0.0869 ( 2737 PWs) bands (ev): -44.8909 -44.8909 -21.6635 -21.6634 -21.0880 -21.0879 -20.8575 -20.8574 -14.4686 -14.4686 -7.9619 -7.9605 -6.3302 -6.3302 -4.2943 -4.2814 -1.6936 -1.6256 0.3206 0.3810 1.1897 1.1900 5.6571 5.6609 5.9809 5.9812 8.5556 8.5558 8.7153 8.7157 8.7681 8.7691 8.8432 8.8439 11.2553 11.2556 12.9465 12.9534 13.1354 13.1528 13.2074 13.2131 13.8665 13.8723 13.9509 13.9513 14.0519 14.0526 k = 0.0000 0.0000 0.0745 ( 2745 PWs) bands (ev): -44.8909 -44.8909 -21.6635 -21.6634 -21.0880 -21.0880 -20.8573 -20.8572 -14.4792 -14.4792 -7.9158 -7.9146 -6.3308 -6.3308 -4.2500 -4.2376 -1.8017 -1.7433 0.3043 0.3547 1.1782 1.1784 5.6830 5.6864 6.0113 6.0115 8.5829 8.5832 8.7294 8.7297 8.7668 8.7679 8.8424 8.8431 11.2089 11.2092 12.9461 12.9521 13.1364 13.1490 13.2051 13.2096 13.9500 13.9504 13.9703 13.9725 14.0519 14.0538 k = 0.0000 0.0000 0.0621 ( 2741 PWs) bands (ev): -44.8909 -44.8909 -21.6635 -21.6634 -21.0880 -21.0880 -20.8571 -20.8570 -14.4882 -14.4882 -7.8761 -7.8750 -6.3313 -6.3313 -4.2076 -4.1961 -1.8987 -1.8497 0.2916 0.3327 1.1683 1.1685 5.7053 5.7082 6.0374 6.0375 8.6071 8.6074 8.7414 8.7416 8.7657 8.7668 8.8417 8.8424 11.1687 11.1690 12.9459 12.9509 13.1360 13.1451 13.2030 13.2065 13.9504 13.9504 14.0418 14.0479 14.0637 14.0715 k = 0.0000 0.0000 0.0496 ( 2741 PWs) bands (ev): -44.8909 -44.8909 -21.6634 -21.6634 -21.0880 -21.0880 -20.8570 -20.8569 -14.4956 -14.4956 -7.8431 -7.8422 -6.3317 -6.3317 -4.1686 -4.1585 -1.9820 -1.9424 0.2821 0.3144 1.1603 1.1604 5.7239 5.7263 6.0589 6.0591 8.6277 8.6281 8.7511 8.7513 8.7649 8.7660 8.8412 8.8418 11.1351 11.1354 12.9459 12.9500 13.1350 13.1415 13.2012 13.2039 13.9502 13.9503 14.0489 14.0505 14.1357 14.1379 k = 0.0000 0.0000 0.0372 ( 2741 PWs) bands (ev): -44.8909 -44.8909 -21.6634 -21.6634 -21.0881 -21.0881 -20.8568 -20.8568 -14.5014 -14.5013 -7.8171 -7.8164 -6.3321 -6.3321 -4.1349 -4.1267 -2.0492 -2.0191 0.2757 0.2996 1.1540 1.1541 5.7385 5.7404 6.0759 6.0760 8.6444 8.6448 8.7577 8.7579 8.7651 8.7661 8.8408 8.8413 11.1085 11.1087 12.9461 12.9492 13.1339 13.1384 13.1998 13.2017 13.9500 13.9501 14.0497 14.0505 14.1945 14.1954 k = 0.0000 0.0000 0.0248 ( 2739 PWs) bands (ev): -44.8909 -44.8909 -21.6634 -21.6634 -21.0881 -21.0881 -20.8567 -20.8567 -14.5055 -14.5055 -7.7983 -7.7979 -6.3323 -6.3323 -4.1085 -4.1026 -2.0978 -2.0776 0.2724 0.2881 1.1495 1.1496 5.7492 5.7504 6.0880 6.0881 8.6567 8.6570 8.7601 8.7603 8.7678 8.7683 8.8406 8.8410 11.0893 11.0894 12.9464 12.9485 13.1331 13.1359 13.1988 13.2001 13.9499 13.9499 14.0500 14.0504 14.2371 14.2374 k = 0.0000 0.0000 0.0124 ( 2743 PWs) bands (ev): -44.8910 -44.8910 -21.6634 -21.6634 -21.0881 -21.0881 -20.8567 -20.8567 -14.5080 -14.5080 -7.7869 -7.7867 -6.3324 -6.3324 -4.0911 -4.0880 -2.1259 -2.1157 0.2719 0.2798 1.1468 1.1469 5.7557 5.7563 6.0954 6.0954 8.6643 8.6645 8.7603 8.7605 8.7706 8.7707 8.8405 8.8407 11.0776 11.0777 12.9468 12.9478 13.1328 13.1341 13.1983 13.1990 13.9498 13.9498 14.0501 14.0503 14.2628 14.2629 k = 0.0000 0.0000 0.0000 ( 2741 PWs) bands (ev): -44.8910 -44.8910 -21.6634 -21.6634 -21.0880 -21.0880 -20.8567 -20.8567 -14.5088 -14.5088 -7.7831 -7.7831 -6.3325 -6.3325 -4.0841 -4.0841 -2.1320 -2.1320 0.2744 0.2744 1.1459 1.1459 5.7581 5.7581 6.0979 6.0979 8.6670 8.6670 8.7603 8.7603 8.7716 8.7716 8.8405 8.8405 11.0738 11.0738 12.9473 12.9473 13.1331 13.1331 13.1984 13.1984 13.9498 13.9498 14.0502 14.0502 14.2714 14.2714 k = 0.0000 0.0000 0.0000 ( 2741 PWs) bands (ev): -44.8910 -44.8910 -21.6634 -21.6634 -21.0880 -21.0880 -20.8567 -20.8567 -14.5088 -14.5088 -7.7831 -7.7831 -6.3325 -6.3325 -4.0841 -4.0841 -2.1320 -2.1320 0.2744 0.2744 1.1459 1.1459 5.7581 5.7581 6.0979 6.0979 8.6670 8.6670 8.7603 8.7603 8.7716 8.7716 8.8405 8.8405 11.0738 11.0738 12.9473 12.9473 13.1331 13.1331 13.1984 13.1984 13.9498 13.9498 14.0502 14.0502 14.2714 14.2714 k =-0.0089 0.0089 0.0000 ( 2743 PWs) bands (ev): -44.8909 -44.8909 -21.6634 -21.6634 -21.0881 -21.0881 -20.8567 -20.8567 -14.5086 -14.5086 -7.7824 -7.7824 -6.3325 -6.3325 -4.0855 -4.0855 -2.1318 -2.1318 0.2748 0.2748 1.1465 1.1465 5.7588 5.7588 6.0983 6.0983 8.6660 8.6660 8.7576 8.7576 8.7700 8.7700 8.8383 8.8383 11.0758 11.0758 12.9487 12.9487 13.1342 13.1342 13.2002 13.2002 13.9479 13.9479 14.0486 14.0486 14.2715 14.2715 k =-0.0179 0.0178 0.0000 ( 2751 PWs) bands (ev): -44.8909 -44.8909 -21.6636 -21.6636 -21.0884 -21.0884 -20.8568 -20.8568 -14.5079 -14.5079 -7.7806 -7.7806 -6.3327 -6.3327 -4.0895 -4.0895 -2.1313 -2.1313 0.2761 0.2761 1.1482 1.1482 5.7610 5.7610 6.0994 6.0994 8.6632 8.6632 8.7495 8.7495 8.7652 8.7652 8.8317 8.8317 11.0818 11.0818 12.9529 12.9529 13.1377 13.1377 13.2057 13.2057 13.9425 13.9425 14.0438 14.0438 14.2717 14.2717 k =-0.0268 0.0267 0.0000 ( 2743 PWs) bands (ev): -44.8909 -44.8909 -21.6638 -21.6638 -21.0886 -21.0886 -20.8567 -20.8567 -14.5068 -14.5068 -7.7775 -7.7775 -6.3331 -6.3331 -4.0963 -4.0963 -2.1304 -2.1304 0.2782 0.2782 1.1510 1.1510 5.7646 5.7646 6.1014 6.1014 8.6585 8.6585 8.7359 8.7359 8.7573 8.7573 8.8207 8.8207 11.0918 11.0918 12.9598 12.9598 13.1434 13.1434 13.2148 13.2148 13.9334 13.9334 14.0358 14.0358 14.2720 14.2720 k =-0.0357 0.0356 0.0000 ( 2737 PWs) bands (ev): -44.8909 -44.8909 -21.6641 -21.6641 -21.0890 -21.0890 -20.8568 -20.8568 -14.5053 -14.5053 -7.7731 -7.7731 -6.3335 -6.3335 -4.1057 -4.1057 -2.1291 -2.1291 0.2812 0.2812 1.1549 1.1549 5.7697 5.7697 6.1042 6.1042 8.6519 8.6519 8.7167 8.7167 8.7467 8.7467 8.8054 8.8054 11.1057 11.1057 12.9692 12.9692 13.1514 13.1514 13.2275 13.2275 13.9207 13.9207 14.0249 14.0249 14.2725 14.2725 k =-0.0446 0.0445 0.0000 ( 2721 PWs) bands (ev): -44.8909 -44.8909 -21.6644 -21.6644 -21.0895 -21.0895 -20.8568 -20.8568 -14.5034 -14.5034 -7.7675 -7.7675 -6.3340 -6.3340 -4.1176 -4.1176 -2.1275 -2.1275 0.2849 0.2849 1.1599 1.1599 5.7763 5.7763 6.1078 6.1078 8.6434 8.6434 8.6921 8.6921 8.7332 8.7332 8.7861 8.7861 11.1233 11.1233 12.9808 12.9808 13.1616 13.1616 13.2436 13.2436 13.9043 13.9043 14.0113 14.0113 14.2731 14.2731 k =-0.0536 0.0534 0.0000 ( 2719 PWs) bands (ev): -44.8909 -44.8909 -21.6648 -21.6648 -21.0901 -21.0901 -20.8569 -20.8569 -14.5010 -14.5010 -7.7607 -7.7607 -6.3347 -6.3347 -4.1322 -4.1322 -2.1256 -2.1256 0.2894 0.2894 1.1658 1.1658 5.7844 5.7844 6.1125 6.1125 8.6331 8.6331 8.6624 8.6624 8.7171 8.7171 8.7629 8.7629 11.1445 11.1445 12.9941 12.9941 13.1741 13.1741 13.2632 13.2632 13.8844 13.8844 13.9953 13.9953 14.2738 14.2738 k =-0.0625 0.0623 0.0000 ( 2723 PWs) bands (ev): -44.8908 -44.8908 -21.6654 -21.6654 -21.0909 -21.0909 -20.8570 -20.8570 -14.4983 -14.4983 -7.7526 -7.7526 -6.3355 -6.3355 -4.1492 -4.1492 -2.1233 -2.1233 0.2947 0.2947 1.1728 1.1728 5.7940 5.7940 6.1181 6.1181 8.6207 8.6207 8.6278 8.6278 8.6982 8.6982 8.7359 8.7359 11.1690 11.1690 13.0088 13.0088 13.1887 13.1887 13.2859 13.2859 13.8609 13.8609 13.9774 13.9774 14.2747 14.2747 k =-0.0714 0.0712 0.0000 ( 2719 PWs) bands (ev): -44.8908 -44.8908 -21.6660 -21.6660 -21.0917 -21.0917 -20.8571 -20.8571 -14.4951 -14.4951 -7.7433 -7.7433 -6.3364 -6.3364 -4.1685 -4.1685 -2.1207 -2.1207 0.3006 0.3006 1.1806 1.1806 5.8052 5.8052 6.1248 6.1248 8.5876 8.5876 8.6073 8.6073 8.6769 8.6769 8.7056 8.7056 11.1967 11.1967 13.0240 13.0240 13.2054 13.2054 13.3117 13.3117 13.8338 13.8338 13.9582 13.9582 14.2758 14.2758 k =-0.0804 0.0801 0.0000 ( 2709 PWs) bands (ev): -44.8908 -44.8908 -21.6666 -21.6666 -21.0927 -21.0927 -20.8572 -20.8572 -14.4916 -14.4916 -7.7328 -7.7328 -6.3374 -6.3374 -4.1902 -4.1902 -2.1178 -2.1178 0.3071 0.3071 1.1893 1.1893 5.8179 5.8179 6.1328 6.1328 8.5434 8.5434 8.5917 8.5917 8.6530 8.6530 8.6723 8.6723 11.2273 11.2273 13.0390 13.0390 13.2242 13.2242 13.3404 13.3404 13.8032 13.8032 13.9384 13.9384 14.2770 14.2770 k =-0.0893 0.0890 0.0000 ( 2705 PWs) bands (ev): -44.8907 -44.8907 -21.6674 -21.6674 -21.0937 -21.0937 -20.8574 -20.8574 -14.4878 -14.4878 -7.7210 -7.7210 -6.3385 -6.3385 -4.2140 -4.2140 -2.1146 -2.1146 0.3142 0.3142 1.1988 1.1988 5.8322 5.8322 6.1420 6.1420 8.4948 8.4948 8.5743 8.5743 8.6258 8.6258 8.6371 8.6371 11.2605 11.2605 13.0526 13.0526 13.2450 13.2450 13.3718 13.3718 13.7691 13.7691 13.9190 13.9190 14.2783 14.2783 k =-0.0982 0.0979 0.0000 ( 2705 PWs) bands (ev): -44.8907 -44.8907 -21.6682 -21.6682 -21.0949 -21.0949 -20.8575 -20.8575 -14.4835 -14.4835 -7.7081 -7.7081 -6.3397 -6.3397 -4.2400 -4.2400 -2.1111 -2.1111 0.3219 0.3219 1.2090 1.2090 5.8481 5.8481 6.1526 6.1526 8.4422 8.4422 8.5553 8.5553 8.5921 8.5921 8.6038 8.6038 11.2958 11.2958 13.0636 13.0636 13.2678 13.2678 13.4057 13.4057 13.7315 13.7315 13.9012 13.9012 14.2799 14.2799 k =-0.1071 0.1068 0.0000 ( 2713 PWs) bands (ev): -44.8906 -44.8906 -21.6692 -21.6692 -21.0962 -21.0962 -20.8577 -20.8577 -14.4790 -14.4790 -7.6940 -7.6940 -6.3409 -6.3409 -4.2679 -4.2679 -2.1074 -2.1074 0.3299 0.3299 1.2198 1.2198 5.8657 5.8657 6.1647 6.1647 8.3859 8.3859 8.5343 8.5343 8.5520 8.5520 8.5729 8.5729 11.3330 11.3330 13.0706 13.0706 13.2926 13.2926 13.4418 13.4418 13.6905 13.6905 13.8865 13.8865 14.2815 14.2815 k =-0.1161 0.1157 0.0000 ( 2716 PWs) bands (ev): -44.8906 -44.8906 -21.6702 -21.6702 -21.0976 -21.0976 -20.8579 -20.8579 -14.4742 -14.4742 -7.6787 -7.6787 -6.3422 -6.3422 -4.2976 -4.2976 -2.1034 -2.1034 0.3384 0.3384 1.2312 1.2312 5.8850 5.8850 6.1783 6.1783 8.3261 8.3261 8.5051 8.5051 8.5153 8.5153 8.5414 8.5414 11.3715 11.3715 13.0717 13.0717 13.3193 13.3193 13.4801 13.4801 13.6462 13.6462 13.8765 13.8765 14.2834 14.2834 k =-0.1250 0.1246 0.0000 ( 2712 PWs) bands (ev): -44.8905 -44.8905 -21.6712 -21.6712 -21.0991 -21.0991 -20.8580 -20.8580 -14.4690 -14.4690 -7.6622 -7.6622 -6.3436 -6.3436 -4.3291 -4.3291 -2.0991 -2.0991 0.3473 0.3473 1.2430 1.2430 5.9060 5.9060 6.1936 6.1936 8.2632 8.2632 8.4606 8.4606 8.4904 8.4904 8.5088 8.5088 11.4110 11.4110 13.0656 13.0656 13.3477 13.3477 13.5202 13.5202 13.5984 13.5984 13.8725 13.8725 14.2854 14.2854 k =-0.1339 0.1335 0.0000 ( 2712 PWs) bands (ev): -44.8905 -44.8905 -21.6723 -21.6723 -21.1006 -21.1006 -20.8583 -20.8583 -14.4637 -14.4637 -7.6446 -7.6446 -6.3451 -6.3451 -4.3622 -4.3622 -2.0946 -2.0946 0.3564 0.3564 1.2553 1.2553 5.9287 5.9287 6.2107 6.2107 8.1975 8.1975 8.4132 8.4132 8.4654 8.4654 8.4749 8.4749 11.4510 11.4510 13.0508 13.0508 13.3780 13.3780 13.5473 13.5473 13.5621 13.5621 13.8759 13.8759 14.2875 14.2875 k =-0.1429 0.1424 0.0000 ( 2714 PWs) bands (ev): -44.8904 -44.8904 -21.6735 -21.6735 -21.1022 -21.1022 -20.8585 -20.8585 -14.4581 -14.4581 -7.6259 -7.6259 -6.3465 -6.3465 -4.3968 -4.3968 -2.0899 -2.0899 0.3657 0.3657 1.2679 1.2679 5.9531 5.9531 6.2295 6.2295 8.1294 8.1294 8.3642 8.3642 8.4391 8.4391 8.4399 8.4399 11.4909 11.4909 13.0266 13.0266 13.4098 13.4098 13.4931 13.4931 13.6053 13.6053 13.8875 13.8875 14.2899 14.2899 k =-0.1518 0.1513 0.0000 ( 2710 PWs) bands (ev): -44.8904 -44.8904 -21.6747 -21.6747 -21.1039 -21.1039 -20.8587 -20.8587 -14.4522 -14.4522 -7.6060 -7.6060 -6.3480 -6.3480 -4.4328 -4.4328 -2.0849 -2.0849 0.3752 0.3752 1.2807 1.2807 5.9792 5.9792 6.2502 6.2502 8.0592 8.0592 8.3142 8.3142 8.4041 8.4041 8.4117 8.4117 11.5302 11.5302 12.9929 12.9929 13.4349 13.4349 13.4441 13.4441 13.6497 13.6497 13.9072 13.9072 14.2924 14.2924 k =-0.1607 0.1602 0.0000 ( 2714 PWs) bands (ev): -44.8903 -44.8903 -21.6760 -21.6760 -21.1056 -21.1056 -20.8589 -20.8589 -14.4462 -14.4462 -7.5850 -7.5850 -6.3496 -6.3496 -4.4700 -4.4700 -2.0798 -2.0798 0.3848 0.3848 1.2936 1.2936 6.0071 6.0071 6.2728 6.2728 7.9871 7.9871 8.2634 8.2634 8.3674 8.3674 8.3832 8.3832 11.5683 11.5683 12.9500 12.9500 13.3748 13.3748 13.4785 13.4785 13.6952 13.6952 13.9347 13.9347 14.2952 14.2952 k =-0.1696 0.1691 0.0000 ( 2714 PWs) bands (ev): -44.8902 -44.8902 -21.6773 -21.6773 -21.1074 -21.1074 -20.8591 -20.8591 -14.4401 -14.4401 -7.5629 -7.5629 -6.3511 -6.3511 -4.5084 -4.5084 -2.0745 -2.0745 0.3945 0.3945 1.3067 1.3067 6.0367 6.0367 6.2973 6.2973 7.9136 7.9136 8.2123 8.2123 8.3302 8.3302 8.3536 8.3536 11.6048 11.6048 12.8985 12.8985 13.3111 13.3111 13.5149 13.5149 13.7416 13.7416 13.9693 13.9693 14.2981 14.2981 k =-0.1786 0.1780 0.0000 ( 2714 PWs) bands (ev): -44.8902 -44.8902 -21.6786 -21.6786 -21.1093 -21.1093 -20.8593 -20.8593 -14.4337 -14.4337 -7.5398 -7.5398 -6.3527 -6.3527 -4.5479 -4.5479 -2.0691 -2.0691 0.4042 0.4042 1.3198 1.3198 6.0679 6.0679 6.3237 6.3237 7.8390 7.8390 8.1611 8.1611 8.2925 8.2925 8.3231 8.3231 11.6391 11.6391 12.8394 12.8394 13.2444 13.2444 13.5526 13.5526 13.7886 13.7886 14.0099 14.0099 14.3013 14.3013 k =-0.1875 0.1869 0.0000 ( 2718 PWs) bands (ev): -44.8901 -44.8901 -21.6800 -21.6800 -21.1112 -21.1112 -20.8596 -20.8596 -14.4273 -14.4273 -7.5156 -7.5156 -6.3543 -6.3543 -4.5883 -4.5883 -2.0634 -2.0634 0.4138 0.4138 1.3328 1.3328 6.1008 6.1008 6.3519 6.3519 7.7637 7.7637 8.1102 8.1102 8.2545 8.2545 8.2917 8.2917 11.6706 11.6706 12.7737 12.7737 13.1747 13.1747 13.5915 13.5915 13.8360 13.8360 14.0557 14.0557 14.3049 14.3049 k =-0.1964 0.1958 0.0000 ( 2714 PWs) bands (ev): -44.8900 -44.8900 -21.6814 -21.6814 -21.1131 -21.1131 -20.8598 -20.8598 -14.4208 -14.4208 -7.4903 -7.4903 -6.3558 -6.3558 -4.6295 -4.6295 -2.0577 -2.0577 0.4234 0.4234 1.3457 1.3457 6.1352 6.1352 6.3818 6.3818 7.6881 7.6881 8.0600 8.0600 8.2163 8.2163 8.2594 8.2594 11.6988 11.6988 12.7020 12.7020 13.1021 13.1021 13.6315 13.6315 13.8838 13.8838 14.1055 14.1055 14.3089 14.3089 k =-0.2054 0.2047 0.0000 ( 2714 PWs) bands (ev): -44.8900 -44.8900 -21.6828 -21.6828 -21.1150 -21.1150 -20.8600 -20.8600 -14.4142 -14.4142 -7.4641 -7.4641 -6.3574 -6.3574 -4.6714 -4.6714 -2.0518 -2.0518 0.4328 0.4328 1.3585 1.3585 6.1710 6.1710 6.4132 6.4132 7.6125 7.6125 8.0109 8.0109 8.1780 8.1780 8.2266 8.2266 11.7234 11.7234 12.6252 12.6252 13.0267 13.0267 13.6723 13.6723 13.9316 13.9316 14.1584 14.1584 14.3138 14.3138 k =-0.2143 0.2136 0.0000 ( 2718 PWs) bands (ev): -44.8899 -44.8899 -21.6843 -21.6843 -21.1170 -21.1170 -20.8603 -20.8603 -14.4076 -14.4076 -7.4369 -7.4369 -6.3589 -6.3589 -4.7140 -4.7140 -2.0459 -2.0459 0.4421 0.4421 1.3710 1.3710 6.2081 6.2081 6.4459 6.4459 7.5374 7.5374 7.9634 7.9634 8.1399 8.1399 8.1931 8.1931 11.7439 11.7439 12.5439 12.5439 12.9485 12.9485 13.7139 13.7139 13.9794 13.9794 14.2127 14.2127 14.3205 14.3205 k =-0.2232 0.2225 0.0000 ( 2714 PWs) bands (ev): -44.8898 -44.8898 -21.6857 -21.6857 -21.1190 -21.1190 -20.8605 -20.8605 -14.4010 -14.4010 -7.4088 -7.4088 -6.3604 -6.3604 -4.7572 -4.7572 -2.0398 -2.0398 0.4512 0.4512 1.3833 1.3833 6.2461 6.2461 6.4796 6.4796 7.4635 7.4635 7.9180 7.9180 8.1019 8.1019 8.1591 8.1591 11.7599 11.7599 12.4587 12.4587 12.8677 12.8677 13.7561 13.7561 14.0270 14.0270 14.2641 14.2641 14.3326 14.3326 k =-0.2321 0.2314 0.0000 ( 2716 PWs) bands (ev): -44.8897 -44.8897 -21.6872 -21.6872 -21.1210 -21.1210 -20.8607 -20.8607 -14.3944 -14.3944 -7.3797 -7.3797 -6.3619 -6.3619 -4.8008 -4.8008 -2.0337 -2.0337 0.4601 0.4601 1.3953 1.3953 6.2846 6.2846 6.5139 6.5139 7.3913 7.3913 7.8753 7.8753 8.0642 8.0642 8.1248 8.1248 11.7712 11.7712 12.3701 12.3701 12.7843 12.7843 13.7986 13.7986 14.0743 14.0743 14.2995 14.2995 14.3629 14.3629 k =-0.2411 0.2403 0.0000 ( 2716 PWs) bands (ev): -44.8897 -44.8897 -21.6886 -21.6886 -21.1230 -21.1230 -20.8610 -20.8610 -14.3878 -14.3878 -7.3498 -7.3498 -6.3633 -6.3633 -4.8448 -4.8448 -2.0275 -2.0275 0.4687 0.4687 1.4070 1.4070 6.3232 6.3232 6.5482 6.5482 7.3218 7.3218 7.8359 7.8359 8.0270 8.0270 8.0903 8.0903 11.7775 11.7775 12.2787 12.2787 12.6984 12.6984 13.8412 13.8412 14.1210 14.1210 14.3151 14.3151 14.4147 14.4147 k =-0.2500 0.2492 0.0000 ( 2712 PWs) bands (ev): -44.8896 -44.8896 -21.6901 -21.6901 -21.1250 -21.1250 -20.8612 -20.8612 -14.3813 -14.3813 -7.3190 -7.3190 -6.3646 -6.3646 -4.8892 -4.8892 -2.0213 -2.0213 0.4771 0.4771 1.4183 1.4183 6.3609 6.3609 6.5817 6.5817 7.2560 7.2560 7.8007 7.8007 7.9902 7.9902 8.0556 8.0556 11.7785 11.7785 12.1851 12.1851 12.6101 12.6101 13.8837 13.8837 14.1671 14.1671 14.3242 14.3242 14.4743 14.4743 k =-0.2589 0.2581 0.0000 ( 2708 PWs) bands (ev): -44.8895 -44.8895 -21.6915 -21.6915 -21.1269 -21.1269 -20.8614 -20.8614 -14.3748 -14.3748 -7.2873 -7.2873 -6.3660 -6.3660 -4.9338 -4.9338 -2.0151 -2.0151 0.4852 0.4852 1.4293 1.4293 6.3965 6.3965 6.6137 6.6137 7.1956 7.1956 7.7704 7.7704 7.9541 7.9541 8.0209 8.0209 11.7739 11.7739 12.0900 12.0900 12.5195 12.5195 13.9257 13.9257 14.2124 14.2124 14.3322 14.3322 14.5361 14.5361 k =-0.2679 0.2670 0.0000 ( 2714 PWs) bands (ev): -44.8894 -44.8894 -21.6930 -21.6930 -21.1289 -21.1289 -20.8616 -20.8616 -14.3685 -14.3685 -7.2549 -7.2549 -6.3672 -6.3672 -4.9786 -4.9786 -2.0088 -2.0088 0.4930 0.4930 1.4398 1.4398 6.4282 6.4282 6.6431 6.6431 7.1428 7.1428 7.7461 7.7461 7.9186 7.9186 7.9862 7.9862 11.7628 11.7628 11.9948 11.9948 12.4265 12.4265 13.9669 13.9669 14.2568 14.2568 14.3406 14.3406 14.5984 14.5984 k =-0.2768 0.2759 0.0000 ( 2710 PWs) bands (ev): -44.8894 -44.8894 -21.6944 -21.6944 -21.1308 -21.1308 -20.8618 -20.8618 -14.3622 -14.3622 -7.2217 -7.2217 -6.3685 -6.3685 -5.0235 -5.0235 -2.0026 -2.0026 0.5005 0.5005 1.4499 1.4499 6.4533 6.4533 6.6689 6.6689 7.1004 7.1004 7.7289 7.7289 7.8839 7.8839 7.9518 7.9518 11.7424 11.7424 11.9026 11.9026 12.3315 12.3315 14.0068 14.0068 14.3001 14.3001 14.3501 14.3501 14.6605 14.6605 k =-0.2857 0.2848 0.0000 ( 2714 PWs) bands (ev): -44.8893 -44.8893 -21.6959 -21.6959 -21.1328 -21.1328 -20.8620 -20.8620 -14.3561 -14.3561 -7.1879 -7.1879 -6.3696 -6.3696 -5.0685 -5.0685 -1.9964 -1.9964 0.5078 0.5078 1.4595 1.4595 6.4685 6.4685 6.6903 6.6903 7.0717 7.0717 7.7198 7.7198 7.8501 7.8501 7.9178 7.9178 11.7040 11.7040 11.8228 11.8228 12.2344 12.2344 14.0448 14.0448 14.3417 14.3417 14.3619 14.3619 14.7219 14.7219 k =-0.2946 0.2937 0.0000 ( 2714 PWs) bands (ev): -44.8892 -44.8892 -21.6973 -21.6973 -21.1347 -21.1347 -20.8622 -20.8622 -14.3502 -14.3502 -7.1533 -7.1533 -6.3707 -6.3707 -5.1135 -5.1135 -1.9903 -1.9903 0.5147 0.5147 1.4688 1.4688 6.4706 6.4706 6.7068 6.7068 7.0595 7.0595 7.7197 7.7197 7.8171 7.8171 7.8844 7.8844 11.6350 11.6350 11.7685 11.7685 12.1353 12.1353 14.0804 14.0804 14.3714 14.3714 14.3865 14.3865 14.7822 14.7822 k =-0.3036 0.3026 0.0000 ( 2714 PWs) bands (ev): -44.8892 -44.8892 -21.6986 -21.6986 -21.1365 -21.1365 -20.8624 -20.8624 -14.3444 -14.3444 -7.1181 -7.1181 -6.3718 -6.3718 -5.1585 -5.1585 -1.9843 -1.9843 0.5213 0.5213 1.4776 1.4776 6.4582 6.4582 6.7186 6.7186 7.0646 7.0646 7.7291 7.7291 7.7852 7.7852 7.8519 7.8519 11.5435 11.5435 11.7322 11.7322 12.0344 12.0344 14.1128 14.1128 14.3884 14.3884 14.4253 14.4253 14.8410 14.8410 k =-0.3125 0.3115 0.0000 ( 2702 PWs) bands (ev): -44.8891 -44.8891 -21.6999 -21.6999 -21.1383 -21.1383 -20.8625 -20.8625 -14.3387 -14.3387 -7.0824 -7.0824 -6.3727 -6.3727 -5.2035 -5.2035 -1.9783 -1.9783 0.5276 0.5276 1.4859 1.4859 6.4326 6.4326 6.7256 6.7256 7.0858 7.0858 7.7466 7.7466 7.7549 7.7549 7.8216 7.8216 11.4432 11.4432 11.7009 11.7009 11.9317 11.9317 14.1416 14.1416 14.4074 14.4074 14.4637 14.4637 14.8981 14.8981 k =-0.3214 0.3204 0.0000 ( 2698 PWs) bands (ev): -44.8890 -44.8890 -21.7012 -21.7012 -21.1400 -21.1400 -20.8627 -20.8627 -14.3333 -14.3333 -7.0460 -7.0460 -6.3736 -6.3736 -5.2484 -5.2484 -1.9724 -1.9724 0.5335 0.5335 1.4938 1.4938 6.3968 6.3968 6.7275 6.7275 7.1202 7.1202 7.7243 7.7243 7.7640 7.7640 7.8038 7.8038 11.3394 11.3394 11.6700 11.6700 11.8275 11.8275 14.1663 14.1663 14.4297 14.4297 14.5010 14.5010 14.9532 14.9532 k =-0.3304 0.3293 0.0000 ( 2696 PWs) bands (ev): -44.8889 -44.8889 -21.7025 -21.7025 -21.1417 -21.1417 -20.8629 -20.8629 -14.3281 -14.3281 -7.0092 -7.0092 -6.3745 -6.3745 -5.2931 -5.2931 -1.9667 -1.9667 0.5392 0.5392 1.5013 1.5013 6.3544 6.3544 6.7245 6.7245 7.1649 7.1649 7.6957 7.6957 7.7475 7.7475 7.8296 7.8296 11.2338 11.2338 11.6380 11.6380 11.7221 11.7221 14.1870 14.1870 14.4550 14.4550 14.5368 14.5368 15.0062 15.0062 k =-0.3393 0.3383 0.0000 ( 2700 PWs) bands (ev): -44.8889 -44.8889 -21.7037 -21.7037 -21.1433 -21.1433 -20.8631 -20.8631 -14.3231 -14.3231 -6.9720 -6.9720 -6.3753 -6.3753 -5.3376 -5.3376 -1.9612 -1.9612 0.5445 0.5445 1.5083 1.5083 6.3080 6.3080 6.7168 6.7168 7.2176 7.2176 7.6682 7.6682 7.7199 7.7199 7.8765 7.8765 11.1272 11.1272 11.5994 11.5994 11.6208 11.6208 14.2039 14.2039 14.4830 14.4830 14.5711 14.5711 15.0569 15.0569 k =-0.3482 0.3472 0.0000 ( 2708 PWs) bands (ev): -44.8888 -44.8888 -21.7049 -21.7049 -21.1449 -21.1449 -20.8633 -20.8633 -14.3183 -14.3183 -6.9344 -6.9344 -6.3761 -6.3761 -5.3819 -5.3819 -1.9558 -1.9558 0.5495 0.5495 1.5149 1.5149 6.2597 6.2597 6.7054 6.7054 7.2763 7.2763 7.6420 7.6420 7.6916 7.6916 7.9332 7.9332 11.0203 11.0203 11.5030 11.5030 11.5754 11.5754 14.2176 14.2176 14.5130 14.5130 14.6038 14.6038 15.1052 15.1052 k =-0.3571 0.3561 0.0000 ( 2712 PWs) bands (ev): -44.8888 -44.8888 -21.7061 -21.7061 -21.1464 -21.1464 -20.8634 -20.8634 -14.3138 -14.3138 -6.8965 -6.8965 -6.3767 -6.3767 -5.4260 -5.4260 -1.9506 -1.9506 0.5542 0.5542 1.5210 1.5210 6.2111 6.2111 6.6909 6.6909 7.3397 7.3397 7.6171 7.6171 7.6641 7.6641 7.9976 7.9976 10.9133 10.9133 11.3937 11.3937 11.5412 11.5412 14.2287 14.2287 14.5443 14.5443 14.6350 14.6350 15.1510 15.1510 k =-0.3661 0.3650 0.0000 ( 2712 PWs) bands (ev): -44.8887 -44.8887 -21.7071 -21.7071 -21.1479 -21.1479 -20.8635 -20.8635 -14.3095 -14.3095 -6.8583 -6.8583 -6.3773 -6.3773 -5.4697 -5.4697 -1.9456 -1.9456 0.5587 0.5587 1.5268 1.5268 6.1630 6.1630 6.6743 6.6743 7.4066 7.4066 7.5936 7.5936 7.6377 7.6377 8.0685 8.0685 10.8066 10.8066 11.2828 11.2828 11.5075 11.5075 14.2376 14.2376 14.5761 14.5761 14.6645 14.6645 15.1943 15.1943 k =-0.3750 0.3739 0.0000 ( 2714 PWs) bands (ev): -44.8887 -44.8887 -21.7082 -21.7082 -21.1493 -21.1493 -20.8637 -20.8637 -14.3055 -14.3055 -6.8200 -6.8200 -6.3779 -6.3779 -5.5131 -5.5131 -1.9408 -1.9408 0.5628 0.5628 1.5321 1.5321 6.1162 6.1162 6.6564 6.6564 7.4757 7.4757 7.5716 7.5716 7.6131 7.6131 8.1451 8.1451 10.7005 10.7005 11.1707 11.1707 11.4743 11.4743 14.2450 14.2450 14.6079 14.6079 14.6922 14.6922 15.2349 15.2349 k =-0.3839 0.3828 0.0000 ( 2708 PWs) bands (ev): -44.8886 -44.8886 -21.7091 -21.7091 -21.1505 -21.1505 -20.8638 -20.8638 -14.3017 -14.3017 -6.7815 -6.7815 -6.3784 -6.3784 -5.5560 -5.5560 -1.9363 -1.9363 0.5666 0.5666 1.5371 1.5371 6.0712 6.0712 6.6378 6.6378 7.5402 7.5402 7.5540 7.5540 7.5935 7.5935 8.2266 8.2266 10.5952 10.5952 11.0577 11.0577 11.4418 11.4418 14.2510 14.2510 14.6391 14.6391 14.7182 14.7182 15.2728 15.2728 k =-0.3929 0.3917 0.0000 ( 2706 PWs) bands (ev): -44.8886 -44.8886 -21.7100 -21.7100 -21.1517 -21.1517 -20.8639 -20.8639 -14.2982 -14.2982 -6.7431 -6.7431 -6.3789 -6.3789 -5.5985 -5.5985 -1.9320 -1.9320 0.5701 0.5701 1.5416 1.5416 6.0285 6.0285 6.6190 6.6190 7.5303 7.5303 7.5598 7.5598 7.6296 7.6296 8.3124 8.3124 10.4913 10.4913 10.9439 10.9439 11.4103 11.4103 14.2560 14.2560 14.6692 14.6692 14.7425 14.7425 15.3081 15.3081 k =-0.4018 0.4006 0.0000 ( 2704 PWs) bands (ev): -44.8885 -44.8885 -21.7108 -21.7108 -21.1528 -21.1528 -20.8640 -20.8640 -14.2949 -14.2949 -6.7049 -6.7049 -6.3793 -6.3793 -5.6403 -5.6403 -1.9280 -1.9280 0.5733 0.5733 1.5458 1.5458 5.9883 5.9883 6.6005 6.6005 7.5126 7.5126 7.5410 7.5410 7.7020 7.7020 8.4021 8.4021 10.3890 10.3890 10.8294 10.8294 11.3802 11.3802 14.2603 14.2603 14.6980 14.6980 14.7649 14.7649 15.3405 15.3405 k =-0.4107 0.4095 0.0000 ( 2706 PWs) bands (ev): -44.8885 -44.8885 -21.7116 -21.7116 -21.1538 -21.1538 -20.8641 -20.8641 -14.2920 -14.2920 -6.6669 -6.6669 -6.3797 -6.3797 -5.6815 -5.6815 -1.9243 -1.9243 0.5763 0.5763 1.5495 1.5495 5.9510 5.9510 6.5827 6.5827 7.4962 7.4962 7.5220 7.5220 7.7768 7.7768 8.4951 8.4951 10.2888 10.2888 10.7144 10.7144 11.3517 11.3517 14.2638 14.2638 14.7251 14.7251 14.7855 14.7855 15.3703 15.3703 k =-0.4196 0.4184 0.0000 ( 2706 PWs) bands (ev): -44.8884 -44.8884 -21.7123 -21.7123 -21.1548 -21.1548 -20.8642 -20.8642 -14.2893 -14.2893 -6.6295 -6.6295 -6.3800 -6.3800 -5.7217 -5.7217 -1.9209 -1.9209 0.5789 0.5789 1.5529 1.5529 5.9167 5.9167 6.5658 6.5658 7.4813 7.4813 7.5043 7.5043 7.8518 7.8518 8.5911 8.5911 10.1914 10.1914 10.5991 10.5991 11.3251 11.3251 14.2668 14.2668 14.7502 14.7502 14.8043 14.8043 15.3972 15.3972 k =-0.4286 0.4273 0.0000 ( 2698 PWs) bands (ev): -44.8884 -44.8884 -21.7129 -21.7129 -21.1555 -21.1555 -20.8642 -20.8642 -14.2868 -14.2868 -6.5928 -6.5928 -6.3802 -6.3802 -5.7609 -5.7609 -1.9179 -1.9179 0.5813 0.5813 1.5559 1.5559 5.8856 5.8856 6.5502 6.5502 7.4678 7.4678 7.4882 7.4882 7.9259 7.9259 8.6899 8.6899 10.0974 10.0974 10.4835 10.4835 11.3006 11.3006 14.2694 14.2694 14.7732 14.7732 14.8212 14.8212 15.4213 15.4213 k =-0.4375 0.4362 0.0000 ( 2696 PWs) bands (ev): -44.8884 -44.8884 -21.7135 -21.7135 -21.1563 -21.1563 -20.8643 -20.8643 -14.2847 -14.2847 -6.5571 -6.5571 -6.3805 -6.3805 -5.7986 -5.7986 -1.9151 -1.9151 0.5834 0.5834 1.5586 1.5586 5.8578 5.8578 6.5361 6.5361 7.4559 7.4559 7.4739 7.4739 7.9980 7.9980 8.7910 8.7910 10.0079 10.0079 10.3678 10.3678 11.2786 11.2786 14.2715 14.2715 14.7938 14.7938 14.8362 14.8362 15.4427 15.4427 k =-0.4464 0.4451 0.0000 ( 2700 PWs) bands (ev): -44.8883 -44.8883 -21.7140 -21.7140 -21.1570 -21.1570 -20.8644 -20.8644 -14.2829 -14.2829 -6.5230 -6.5230 -6.3807 -6.3807 -5.8345 -5.8345 -1.9127 -1.9127 0.5852 0.5852 1.5609 1.5609 5.8335 5.8335 6.5235 6.5235 7.4456 7.4456 7.4613 7.4613 8.0670 8.0670 8.8941 8.8941 9.9238 9.9238 10.2523 10.2523 11.2591 11.2591 14.2733 14.2733 14.8119 14.8119 14.8494 14.8494 15.4612 15.4612 k =-0.4554 0.4540 0.0000 ( 2704 PWs) bands (ev): -44.8883 -44.8883 -21.7144 -21.7144 -21.1575 -21.1575 -20.8644 -20.8644 -14.2813 -14.2813 -6.4910 -6.4910 -6.3808 -6.3808 -5.8679 -5.8679 -1.9107 -1.9107 0.5867 0.5867 1.5628 1.5628 5.8128 5.8128 6.5127 6.5127 7.4368 7.4368 7.4506 7.4506 8.1312 8.1312 8.9990 8.9990 9.8468 9.8468 10.1371 10.1371 11.2423 11.2423 14.2747 14.2747 14.8273 14.8273 14.8607 14.8607 15.4768 15.4768 k =-0.4643 0.4629 0.0000 ( 2700 PWs) bands (ev): -44.8883 -44.8883 -21.7148 -21.7148 -21.1580 -21.1580 -20.8645 -20.8645 -14.2800 -14.2800 -6.4620 -6.4620 -6.3809 -6.3809 -5.8981 -5.8981 -1.9090 -1.9090 0.5880 0.5880 1.5644 1.5644 5.7958 5.7958 6.5037 6.5037 7.4296 7.4296 7.4418 7.4418 8.1888 8.1888 9.1054 9.1054 9.7785 9.7785 10.0227 10.0228 11.2284 11.2284 14.2759 14.2759 14.8399 14.8399 14.8700 14.8700 15.4896 15.4896 k =-0.4732 0.4718 0.0000 ( 2700 PWs) bands (ev): -44.8883 -44.8883 -21.7150 -21.7150 -21.1583 -21.1583 -20.8645 -20.8645 -14.2790 -14.2790 -6.4370 -6.4370 -6.3809 -6.3809 -5.9240 -5.9240 -1.9077 -1.9077 0.5889 0.5889 1.5656 1.5656 5.7824 5.7824 6.4966 6.4966 7.4239 7.4239 7.4349 7.4349 8.2375 8.2375 9.2125 9.2125 9.7210 9.7210 9.9099 9.9099 11.2174 11.2174 14.2768 14.2768 14.8498 14.8498 14.8773 14.8773 15.4996 15.4996 k =-0.4821 0.4807 0.0000 ( 2700 PWs) bands (ev): -44.8883 -44.8883 -21.7152 -21.7152 -21.1586 -21.1586 -20.8645 -20.8645 -14.2783 -14.2783 -6.4176 -6.4176 -6.3809 -6.3809 -5.9442 -5.9442 -1.9067 -1.9067 0.5896 0.5896 1.5665 1.5665 5.7729 5.7729 6.4915 6.4915 7.4199 7.4199 7.4299 7.4299 8.2749 8.2749 9.3194 9.3194 9.6756 9.6756 9.8008 9.8008 11.2095 11.2095 14.2774 14.2774 14.8568 14.8568 14.8827 14.8827 15.5068 15.5068 k =-0.4911 0.4896 0.0000 ( 2700 PWs) bands (ev): -44.8883 -44.8883 -21.7153 -21.7153 -21.1587 -21.1587 -20.8645 -20.8645 -14.2778 -14.2778 -6.4052 -6.4052 -6.3807 -6.3807 -5.9571 -5.9571 -1.9062 -1.9062 0.5900 0.5900 1.5670 1.5670 5.7671 5.7671 6.4884 6.4884 7.4175 7.4175 7.4270 7.4270 8.2985 8.2985 9.4218 9.4218 9.6375 9.6375 9.7066 9.7066 11.2048 11.2048 14.2777 14.2777 14.8610 14.8610 14.8859 14.8859 15.5110 15.5110 k =-0.5000 0.4985 0.0000 ( 2700 PWs) bands (ev): -44.8883 -44.8883 -21.7154 -21.7154 -21.1588 -21.1588 -20.8645 -20.8645 -14.2777 -14.2777 -6.4010 -6.4010 -6.3806 -6.3806 -5.9616 -5.9616 -1.9060 -1.9060 0.5902 0.5902 1.5672 1.5672 5.7652 5.7652 6.4874 6.4874 7.4167 7.4167 7.4260 7.4260 8.3066 8.3066 9.4859 9.4859 9.5991 9.5991 9.6708 9.6708 11.2032 11.2032 14.2779 14.2779 14.8624 14.8624 14.8870 14.8870 15.5125 15.5125 k =-0.5000 0.4985 0.0000 ( 2700 PWs) bands (ev): -44.8883 -44.8883 -21.7154 -21.7154 -21.1588 -21.1588 -20.8645 -20.8645 -14.2777 -14.2777 -6.4010 -6.4010 -6.3806 -6.3806 -5.9616 -5.9616 -1.9060 -1.9060 0.5902 0.5902 1.5672 1.5672 5.7652 5.7652 6.4874 6.4874 7.4167 7.4167 7.4260 7.4260 8.3066 8.3066 9.4859 9.4859 9.5991 9.5991 9.6708 9.6708 11.2032 11.2032 14.2779 14.2779 14.8624 14.8624 14.8870 14.8870 15.5125 15.5125 k =-0.4985 0.5000-0.0000 ( 2700 PWs) bands (ev): -44.8883 -44.8883 -21.7154 -21.7154 -21.1588 -21.1588 -20.8645 -20.8645 -14.2777 -14.2777 -6.4016 -6.4006 -6.3811 -6.3802 -5.9615 -5.9615 -1.9060 -1.9060 0.5901 0.5903 1.5670 1.5674 5.7652 5.7653 6.4873 6.4875 7.4167 7.4167 7.4260 7.4260 8.3061 8.3066 9.4822 9.4847 9.6003 9.6006 9.6714 9.6730 11.2032 11.2033 14.2779 14.2779 14.8618 14.8629 14.8864 14.8875 15.5124 15.5124 k =-0.4985 0.5000-0.0000 ( 2700 PWs) bands (ev): -44.8883 -44.8883 -21.7154 -21.7154 -21.1588 -21.1588 -20.8645 -20.8645 -14.2777 -14.2777 -6.4016 -6.4006 -6.3811 -6.3802 -5.9615 -5.9615 -1.9060 -1.9060 0.5901 0.5903 1.5670 1.5674 5.7652 5.7653 6.4873 6.4875 7.4167 7.4167 7.4260 7.4260 8.3061 8.3066 9.4822 9.4847 9.6003 9.6006 9.6714 9.6730 11.2032 11.2033 14.2779 14.2779 14.8618 14.8629 14.8864 14.8875 15.5124 15.5124 k =-0.4985 0.5000 0.0124 ( 2700 PWs) bands (ev): -44.8883 -44.8883 -21.7154 -21.7154 -21.1588 -21.1588 -20.8645 -20.8645 -14.2770 -14.2769 -6.4021 -6.4000 -6.3810 -6.3800 -5.9695 -5.9685 -1.8992 -1.8935 0.5872 0.5932 1.5659 1.5663 5.7655 5.7656 6.4873 6.4875 7.4178 7.4179 7.4270 7.4274 8.3062 8.3067 9.4823 9.4848 9.6000 9.6004 9.6712 9.6728 11.2044 11.2045 14.2692 14.2702 14.8616 14.8626 14.8862 14.8873 15.5124 15.5125 k =-0.4985 0.5000 0.0248 ( 2704 PWs) bands (ev): -44.8883 -44.8883 -21.7154 -21.7154 -21.1588 -21.1588 -20.8646 -20.8646 -14.2748 -14.2747 -6.4030 -6.3988 -6.3804 -6.3794 -5.9924 -5.9903 -1.8736 -1.8622 0.5841 0.5963 1.5626 1.5630 5.7662 5.7663 6.4872 6.4874 7.4212 7.4214 7.4304 7.4312 8.3064 8.3069 9.4825 9.4850 9.5992 9.5997 9.6706 9.6722 11.2080 11.2081 14.2443 14.2461 14.8608 14.8618 14.8854 14.8867 15.5124 15.5125 k =-0.4985 0.5000 0.0372 ( 2704 PWs) bands (ev): -44.8883 -44.8883 -21.7154 -21.7154 -21.1588 -21.1588 -20.8647 -20.8647 -14.2711 -14.2710 -6.4041 -6.3975 -6.3796 -6.3783 -6.0296 -6.0259 -1.8300 -1.8127 0.5812 0.5996 1.5571 1.5575 5.7675 5.7676 6.4870 6.4873 7.4269 7.4270 7.4363 7.4374 8.3068 8.3073 9.4829 9.4855 9.5978 9.5984 9.6697 9.6712 11.2140 11.2141 14.2034 14.2059 14.8595 14.8606 14.8842 14.8856 15.5125 15.5126 k =-0.4985 0.5000 0.0496 ( 2704 PWs) bands (ev): -44.8883 -44.8883 -21.7154 -21.7154 -21.1588 -21.1587 -20.8648 -20.8648 -14.2659 -14.2658 -6.4060 -6.3962 -6.3784 -6.3769 -6.0797 -6.0737 -1.7696 -1.7464 0.5785 0.6034 1.5495 1.5499 5.7692 5.7693 6.4867 6.4871 7.4345 7.4347 7.4448 7.4461 8.3073 8.3079 9.4834 9.4860 9.5958 9.5966 9.6683 9.6698 11.2224 11.2225 14.1468 14.1499 14.8578 14.8588 14.8826 14.8841 15.5126 15.5127 k =-0.4985 0.5000 0.0621 ( 2704 PWs) bands (ev): -44.8882 -44.8882 -21.7154 -21.7154 -21.1587 -21.1587 -20.8649 -20.8649 -14.2593 -14.2592 -6.4095 -6.3950 -6.3770 -6.3750 -6.1412 -6.1314 -1.6940 -1.6646 0.5763 0.6080 1.5399 1.5403 5.7714 5.7716 6.4864 6.4869 7.4440 7.4445 7.4560 7.4573 8.3080 8.3086 9.4840 9.4868 9.5932 9.5942 9.6664 9.6679 11.2332 11.2333 14.0750 14.0783 14.8556 14.8567 14.8806 14.8822 15.5128 15.5129 k =-0.4985 0.5000 0.0745 ( 2718 PWs) bands (ev): -44.8882 -44.8882 -21.7155 -21.7154 -21.1587 -21.1587 -20.8652 -20.8652 -14.2513 -14.2512 -6.4169 -6.3951 -6.3754 -6.3728 -6.2115 -6.1954 -1.6053 -1.5694 0.5750 0.6140 1.5283 1.5286 5.7741 5.7743 6.4861 6.4866 7.4554 7.4563 7.4697 7.4710 8.3088 8.3095 9.4848 9.4877 9.5899 9.5911 9.6640 9.6655 11.2464 11.2465 13.9884 13.9917 14.8530 14.8541 14.8781 14.8799 15.5129 15.5131 k =-0.4985 0.5000 0.0869 ( 2720 PWs) bands (ev): -44.8882 -44.8882 -21.7155 -21.7154 -21.1587 -21.1587 -20.8654 -20.8654 -14.2419 -14.2418 -6.4340 -6.4001 -6.3739 -6.3702 -6.2851 -6.2582 -1.5055 -1.4627 0.5752 0.6218 1.5147 1.5151 5.7772 5.7774 6.4858 6.4863 7.4686 7.4700 7.4860 7.4871 8.3098 8.3106 9.4856 9.4888 9.5859 9.5874 9.6611 9.6625 11.2620 11.2621 13.8878 13.8908 14.8500 14.8511 14.8753 14.8771 15.5131 15.5133 k =-0.4985 0.5000 0.0993 ( 2720 PWs) bands (ev): -44.8882 -44.8882 -21.7155 -21.7154 -21.1587 -21.1587 -20.8656 -20.8655 -14.2311 -14.2310 -6.4726 -6.4305 -6.3726 -6.3673 -6.3400 -6.3067 -1.3967 -1.3466 0.5776 0.6325 1.4994 1.4998 5.7808 5.7810 6.4854 6.4860 7.4837 7.4855 7.5046 7.5057 8.3108 8.3117 9.4865 9.4900 9.5811 9.5830 9.6575 9.6588 11.2800 11.2801 13.7737 13.7763 14.8466 14.8478 14.8721 14.8740 15.5133 15.5135 k =-0.4985 0.5000 0.1117 ( 2720 PWs) bands (ev): -44.8882 -44.8882 -21.7155 -21.7154 -21.1586 -21.1586 -20.8658 -20.8658 -14.2190 -14.2188 -6.5400 -6.5065 -6.3712 -6.3641 -6.3549 -6.3321 -1.2814 -1.2233 0.5832 0.6469 1.4825 1.4828 5.7848 5.7850 6.4850 6.4857 7.5005 7.5029 7.5256 7.5266 8.3120 8.3131 9.4874 9.4913 9.5754 9.5778 9.6531 9.6543 11.3003 11.3005 13.6469 13.6487 14.8428 14.8442 14.8686 14.8705 15.5135 15.5137 k =-0.4985 0.5000 0.1241 ( 2720 PWs) bands (ev): -44.8882 -44.8882 -21.7155 -21.7155 -21.1586 -21.1586 -20.8660 -20.8660 -14.2056 -14.2054 -6.6271 -6.6020 -6.3686 -6.3607 -6.3557 -6.3422 -1.1621 -1.0956 0.5934 0.6665 1.4640 1.4644 5.7892 5.7895 6.4846 6.4854 7.5192 7.5220 7.5487 7.5496 8.3134 8.3146 9.4883 9.4927 9.5687 9.5718 9.6480 9.6491 11.3230 11.3232 13.5081 13.5090 14.8387 14.8402 14.8647 14.8666 15.5137 15.5139 k =-0.4985 0.5000 0.1365 ( 2716 PWs) bands (ev): -44.8882 -44.8882 -21.7155 -21.7154 -21.1585 -21.1585 -20.8663 -20.8662 -14.1909 -14.1907 -6.7247 -6.7047 -6.3652 -6.3570 -6.3533 -6.3452 -1.0416 -0.9660 0.6098 0.6929 1.4442 1.4445 5.7940 5.7942 6.4843 6.4850 7.5395 7.5429 7.5740 7.5748 8.3148 8.3162 9.4891 9.4942 9.5611 9.5650 9.6420 9.6429 11.3481 11.3482 13.3579 13.3582 14.8342 14.8360 14.8605 14.8625 15.5139 15.5141 k =-0.4985 0.5000 0.1489 ( 2714 PWs) bands (ev): -44.8882 -44.8882 -21.7155 -21.7154 -21.1584 -21.1584 -20.8665 -20.8665 -14.1751 -14.1749 -6.8281 -6.8114 -6.3611 -6.3533 -6.3498 -6.3446 -0.9227 -0.8379 0.6349 0.7282 1.4232 1.4235 5.7991 5.7994 6.4839 6.4847 7.5616 7.5654 7.6012 7.6020 8.3164 8.3179 9.4896 9.4958 9.5523 9.5575 9.6350 9.6358 11.3755 11.3756 13.1962 13.1978 14.8295 14.8314 14.8561 14.8581 15.5141 15.5144 k =-0.4985 0.5000 0.1613 ( 2712 PWs) bands (ev): -44.8882 -44.8882 -21.7155 -21.7154 -21.1584 -21.1584 -20.8668 -20.8668 -14.1581 -14.1579 -6.9348 -6.9204 -6.3566 -6.3495 -6.3456 -6.3419 -0.8086 -0.7149 0.6715 0.7746 1.4011 1.4016 5.8045 5.8048 6.4836 6.4844 7.5853 7.5896 7.6303 7.6311 8.3180 8.3198 9.4895 9.4974 9.5423 9.5494 9.6270 9.6275 11.4052 11.4053 13.0246 13.0278 14.8245 14.8267 14.8514 14.8534 15.5144 15.5146 k =-0.4985 0.5000 0.1738 ( 2712 PWs) bands (ev): -44.8881 -44.8881 -21.7155 -21.7154 -21.1583 -21.1583 -20.8671 -20.8671 -14.1401 -14.1399 -7.0434 -7.0308 -6.3519 -6.3456 -6.3411 -6.3381 -0.7024 -0.6010 0.7228 0.8345 1.3783 1.3789 5.8102 5.8105 6.4833 6.4841 7.6105 7.6153 7.6611 7.6620 8.3198 8.3219 9.4884 9.4991 9.5311 9.5411 9.6178 9.6181 11.4371 11.4372 12.8440 12.8488 14.8192 14.8217 14.8465 14.8485 15.5146 15.5149 k =-0.4985 0.5000 0.1862 ( 2704 PWs) bands (ev): -44.8881 -44.8881 -21.7155 -21.7154 -21.1582 -21.1582 -20.8674 -20.8673 -14.1211 -14.1209 -7.1529 -7.1416 -6.3468 -6.3414 -6.3361 -6.3336 -0.6071 -0.5001 0.7921 0.9099 1.3550 1.3560 5.8162 5.8165 6.4831 6.4839 7.6372 7.6426 7.6936 7.6946 8.3216 8.3240 9.4855 9.5007 9.5186 9.5333 9.6073 9.6077 11.4714 11.4715 12.6551 12.6617 14.8137 14.8165 14.8414 14.8434 15.5149 15.5151 k =-0.4985 0.5000 0.1986 ( 2712 PWs) bands (ev): -44.8881 -44.8881 -21.7155 -21.7154 -21.1582 -21.1582 -20.8678 -20.8677 -14.1012 -14.1009 -7.2625 -7.2523 -6.3416 -6.3370 -6.3309 -6.3285 -0.5246 -0.4152 0.8815 1.0019 1.3318 1.3337 5.8224 5.8227 6.4828 6.4837 7.6653 7.6713 7.7276 7.7287 8.3236 8.3263 9.4795 9.5021 9.5047 9.5271 9.5952 9.5962 11.5079 11.5079 12.4586 12.4671 14.8079 14.8111 14.8361 14.8382 15.5151 15.5154 k =-0.4985 0.5000 0.2110 ( 2710 PWs) bands (ev): -44.8881 -44.8881 -21.7155 -21.7154 -21.1581 -21.1581 -20.8681 -20.8680 -14.0804 -14.0802 -7.3715 -7.3623 -6.3363 -6.3324 -6.3255 -6.3232 -0.4562 -0.3476 0.9908 1.1081 1.3098 1.3150 5.8288 5.8291 6.4826 6.4835 7.6948 7.7013 7.7631 7.7644 8.3256 8.3287 9.4698 9.4893 9.5032 9.5232 9.5817 9.5838 11.5465 11.5465 12.2552 12.2658 14.8020 14.8056 14.8308 14.8329 15.5154 15.5156 k =-0.4985 0.5000 0.2234 ( 2706 PWs) bands (ev): -44.8881 -44.8881 -21.7155 -21.7154 -21.1580 -21.1580 -20.8684 -20.8683 -14.0590 -14.0587 -7.4794 -7.4710 -6.3309 -6.3275 -6.3198 -6.3176 -0.4015 -0.2968 1.1141 1.2078 1.2945 1.3205 5.8353 5.8356 6.4825 6.4833 7.7255 7.7327 7.7999 7.8014 8.3277 8.3312 9.4563 9.4725 9.5036 9.5213 9.5668 9.5704 11.5873 11.5873 12.0456 12.0585 14.7960 14.8000 14.8253 14.8274 15.5156 15.5159 k =-0.4985 0.5000 0.2358 ( 2706 PWs) bands (ev): -44.8881 -44.8881 -21.7155 -21.7154 -21.1580 -21.1580 -20.8687 -20.8687 -14.0369 -14.0366 -7.5857 -7.5780 -6.3254 -6.3226 -6.3140 -6.3118 -0.3596 -0.2607 1.2057 1.2294 1.3293 1.4204 5.8419 5.8422 6.4824 6.4832 7.7574 7.7654 7.8379 7.8397 8.3299 8.3339 9.4397 9.4542 9.5027 9.5206 9.5506 9.5569 11.6301 11.6302 11.8304 11.8457 14.7898 14.7944 14.8198 14.8220 15.5159 15.5161 k =-0.4985 0.5000 0.2482 ( 2707 PWs) bands (ev): -44.8880 -44.8880 -21.7155 -21.7155 -21.1579 -21.1579 -20.8691 -20.8690 -14.0143 -14.0141 -7.6899 -7.6829 -6.3199 -6.3175 -6.3080 -6.3060 -0.3287 -0.2370 1.2077 1.2126 1.4696 1.5732 5.8486 5.8488 6.4823 6.4831 7.7903 7.7992 7.8769 7.8791 8.3323 8.3367 9.4204 9.4344 9.4988 9.5195 9.5340 9.5448 11.6102 11.6282 11.6751 11.6751 14.7834 14.7886 14.8143 14.8165 15.5161 15.5164 k =-0.4985 0.5000 0.2606 ( 2706 PWs) bands (ev): -44.8880 -44.8880 -21.7155 -21.7155 -21.1578 -21.1578 -20.8694 -20.8694 -13.9914 -13.9911 -7.7916 -7.7852 -6.3145 -6.3124 -6.3020 -6.3000 -0.3071 -0.2228 1.1881 1.1900 1.6444 1.7445 5.8553 5.8555 6.4823 6.4831 7.8242 7.8340 7.9169 7.9195 8.3348 8.3398 9.3987 9.4130 9.4895 9.5087 9.5259 9.5362 11.3860 11.4067 11.7217 11.7218 14.7769 14.7828 14.8088 14.8111 15.5163 15.5166 k =-0.4985 0.5000 0.2731 ( 2698 PWs) bands (ev): -44.8880 -44.8880 -21.7155 -21.7154 -21.1577 -21.1577 -20.8697 -20.8696 -13.9681 -13.9679 -7.8905 -7.8847 -6.3090 -6.3073 -6.2960 -6.2941 -0.2928 -0.2159 1.1652 1.1662 1.8333 1.9278 5.8619 5.8622 6.4823 6.4831 7.8590 7.8699 7.9578 7.9608 8.3374 8.3431 9.3747 9.3900 9.4740 9.4883 9.5260 9.5322 11.1580 11.1818 11.7703 11.7705 14.7703 14.7770 14.8034 14.8057 15.5165 15.5168 k =-0.4985 0.5000 0.2855 ( 2692 PWs) bands (ev): -44.8880 -44.8880 -21.7155 -21.7154 -21.1576 -21.1576 -20.8700 -20.8700 -13.9448 -13.9445 -7.9863 -7.9810 -6.3037 -6.3022 -6.2900 -6.2881 -0.2844 -0.2146 1.1415 1.1422 2.0318 2.1204 5.8685 5.8688 6.4823 6.4831 7.8944 7.9066 7.9992 8.0029 8.3403 8.3467 9.3484 9.3656 9.4538 9.4652 9.5273 9.5311 10.9271 10.9544 11.8206 11.8208 14.7635 14.7711 14.7980 14.8004 15.5165 15.5170 k =-0.4985 0.5000 0.2979 ( 2702 PWs) bands (ev): -44.8880 -44.8880 -21.7155 -21.7155 -21.1576 -21.1576 -20.8704 -20.8704 -13.9215 -13.9212 -8.0786 -8.0737 -6.2984 -6.2971 -6.2840 -6.2823 -0.2805 -0.2173 1.1180 1.1184 2.2374 2.3204 5.8750 5.8752 6.4824 6.4831 7.9303 7.9441 8.0410 8.0456 8.3435 8.3507 9.3196 9.3396 9.4302 9.4399 9.5289 9.5314 10.6939 10.7253 11.8724 11.8727 14.7564 14.7652 14.7928 14.7952 15.5123 15.5162 k =-0.4985 0.5000 0.3103 ( 2700 PWs) bands (ev): -44.8879 -44.8879 -21.7155 -21.7155 -21.1576 -21.1576 -20.8707 -20.8706 -13.8983 -13.8981 -8.1672 -8.1627 -6.2933 -6.2922 -6.2782 -6.2765 -0.2801 -0.2230 1.0949 1.0952 2.4486 2.5263 5.8814 5.8816 6.4825 6.4831 7.9665 7.9822 8.0829 8.0887 8.3472 8.3553 9.2880 9.3121 9.4040 9.4127 9.5306 9.5324 10.4591 10.4956 11.9256 11.9260 14.7489 14.7591 14.7876 14.7902 15.4055 15.4135 k =-0.4985 0.5000 0.3227 ( 2706 PWs) bands (ev): -44.8879 -44.8879 -21.7155 -21.7155 -21.1575 -21.1575 -20.8711 -20.8710 -13.8755 -13.8753 -8.2516 -8.2475 -6.2884 -6.2874 -6.2725 -6.2709 -0.2822 -0.2307 1.0726 1.0728 2.6641 2.7369 5.8875 5.8877 6.4826 6.4832 8.0028 8.0208 8.1245 8.1319 8.3516 8.3607 9.2530 9.2832 9.3753 9.3834 9.5323 9.5337 10.2238 10.2669 11.9801 11.9804 14.7407 14.7527 14.7826 14.7854 15.2919 15.3013 k =-0.4985 0.5000 0.3351 ( 2710 PWs) bands (ev): -44.8879 -44.8879 -21.7156 -21.7155 -21.1575 -21.1574 -20.8714 -20.8714 -13.8532 -13.8530 -8.3317 -8.3280 -6.2836 -6.2828 -6.2670 -6.2655 -0.2861 -0.2399 1.0511 1.0513 2.8828 2.9511 5.8934 5.8936 6.4827 6.4833 8.0387 8.0597 8.1652 8.1747 8.3573 8.3675 9.2132 9.2528 9.3442 9.3517 9.5340 9.5351 9.9893 10.0414 12.0354 12.0359 14.7314 14.7458 14.7777 14.7808 15.1819 15.1934 k =-0.4985 0.5000 0.3475 ( 2708 PWs) bands (ev): -44.8879 -44.8879 -21.7156 -21.7155 -21.1574 -21.1574 -20.8717 -20.8717 -13.8316 -13.8314 -8.4071 -8.4038 -6.2790 -6.2783 -6.2617 -6.2603 -0.2913 -0.2499 1.0307 1.0308 3.1037 3.1678 5.8991 5.8992 6.4828 6.4834 8.0738 8.0986 8.2038 8.2164 8.3650 8.3764 9.1658 9.2209 9.3101 9.3168 9.5356 9.5366 9.7580 9.8235 12.0914 12.0919 14.7200 14.7376 14.7730 14.7764 15.0768 15.0911 k =-0.4985 0.5000 0.3599 ( 2708 PWs) bands (ev): -44.8879 -44.8879 -21.7156 -21.7155 -21.1573 -21.1573 -20.8720 -20.8719 -13.8109 -13.8107 -8.4777 -8.4747 -6.2747 -6.2741 -6.2566 -6.2554 -0.2973 -0.2604 1.0115 1.0116 3.3259 3.3861 5.9044 5.9046 6.4830 6.4835 8.1074 8.1371 8.2388 8.2558 8.3761 8.3887 9.1041 9.1867 9.2697 9.2778 9.5320 9.5367 9.5420 9.6220 12.1477 12.1483 14.7046 14.7266 14.7684 14.7722 14.9786 14.9967 k =-0.4985 0.5000 0.3723 ( 2708 PWs) bands (ev): -44.8879 -44.8879 -21.7156 -21.7155 -21.1573 -21.1573 -20.8722 -20.8722 -13.7911 -13.7909 -8.5431 -8.5404 -6.2707 -6.2702 -6.2519 -6.2508 -0.3037 -0.2710 0.9935 0.9936 3.5483 3.6047 5.9095 5.9096 6.4831 6.4836 8.1382 8.1747 8.2678 8.2904 8.3927 8.4064 9.0150 9.1429 9.2024 9.2362 9.3513 9.4490 9.5398 9.5402 12.2039 12.2045 14.6814 14.7084 14.7638 14.7683 14.8922 14.9147 k =-0.4985 0.5000 0.3848 ( 2704 PWs) bands (ev): -44.8879 -44.8879 -21.7155 -21.7155 -21.1572 -21.1572 -20.8725 -20.8724 -13.7726 -13.7724 -8.6031 -8.6007 -6.2670 -6.2665 -6.2475 -6.2465 -0.3102 -0.2813 0.9770 0.9771 3.7697 3.8224 5.9141 5.9142 6.4833 6.4837 8.1644 8.2102 8.2890 8.3174 8.4168 8.4312 8.8845 9.0136 9.1342 9.1920 9.2579 9.3268 9.5410 9.5412 12.2593 12.2600 14.6449 14.6740 14.7592 14.7646 14.8276 14.8513 k =-0.4985 0.5000 0.3972 ( 2704 PWs) bands (ev): -44.8879 -44.8879 -21.7155 -21.7155 -21.1572 -21.1572 -20.8727 -20.8726 -13.7555 -13.7553 -8.6574 -8.6554 -6.2636 -6.2632 -6.2435 -6.2426 -0.3164 -0.2913 0.9619 0.9620 3.9886 4.0377 5.9183 5.9184 6.4834 6.4838 8.1820 8.2416 8.3012 8.3343 8.4474 8.4623 8.7210 8.8254 9.0956 9.1464 9.2076 9.2476 9.5423 9.5425 12.3134 12.3141 14.5923 14.6169 14.7547 14.7611 14.7917 14.8099 k =-0.4985 0.5000 0.4096 ( 2696 PWs) bands (ev): -44.8878 -44.8878 -21.7155 -21.7155 -21.1571 -21.1571 -20.8728 -20.8728 -13.7399 -13.7398 -8.7060 -8.7042 -6.2605 -6.2602 -6.2398 -6.2391 -0.3223 -0.3006 0.9485 0.9485 4.2032 4.2486 5.9222 5.9222 6.4835 6.4839 8.1808 8.2618 8.2995 8.3374 8.4784 8.4951 8.5608 8.6611 9.0604 9.1022 9.1654 9.1915 9.5434 9.5436 12.3654 12.3661 14.5293 14.5477 14.7503 14.7577 14.7749 14.7858 k =-0.4985 0.5000 0.4220 ( 2694 PWs) bands (ev): -44.8878 -44.8878 -21.7155 -21.7155 -21.1571 -21.1570 -20.8730 -20.8729 -13.7260 -13.7259 -8.7485 -8.7470 -6.2578 -6.2575 -6.2366 -6.2360 -0.3275 -0.3092 0.9367 0.9367 4.4109 4.4523 5.9255 5.9256 6.4837 6.4840 8.1315 8.2085 8.2968 8.3239 8.4541 8.4936 8.5418 8.5816 9.0266 9.0606 9.1254 9.1450 9.5445 9.5447 12.4143 12.4150 14.4644 14.4778 14.7464 14.7543 14.7663 14.7719 k =-0.4985 0.5000 0.4344 ( 2688 PWs) bands (ev): -44.8878 -44.8878 -21.7155 -21.7155 -21.1570 -21.1570 -20.8730 -20.8730 -13.7140 -13.7139 -8.7847 -8.7835 -6.2555 -6.2553 -6.2339 -6.2333 -0.3319 -0.3169 0.9266 0.9266 4.6082 4.6453 5.9284 5.9285 6.4838 6.4840 8.0125 8.0589 8.3051 8.3128 8.4439 8.4907 8.5809 8.5944 8.9942 9.0218 9.0866 9.1030 9.5454 9.5456 12.4590 12.4596 14.4030 14.4129 14.7433 14.7508 14.7611 14.7638 k =-0.4985 0.5000 0.4468 ( 2684 PWs) bands (ev): -44.8878 -44.8878 -21.7155 -21.7154 -21.1570 -21.1569 -20.8732 -20.8731 -13.7040 -13.7039 -8.8146 -8.8136 -6.2536 -6.2534 -6.2316 -6.2311 -0.3354 -0.3235 0.9182 0.9183 4.7900 4.8221 5.9309 5.9309 6.4839 6.4841 7.8625 7.8926 8.3100 8.3117 8.4611 8.4994 8.6211 8.6286 8.9640 8.9858 9.0494 9.0641 9.5462 9.5463 12.4983 12.4988 14.3488 14.3561 14.7409 14.7472 14.7577 14.7591 k =-0.4985 0.5000 0.4592 ( 2696 PWs) bands (ev): -44.8878 -44.8878 -21.7155 -21.7155 -21.1569 -21.1569 -20.8734 -20.8734 -13.6961 -13.6960 -8.8380 -8.8373 -6.2521 -6.2519 -6.2298 -6.2294 -0.3380 -0.3291 0.9117 0.9117 4.9496 4.9756 5.9328 5.9328 6.4840 6.4841 7.7185 7.7397 8.3120 8.3146 8.4841 8.5133 8.6600 8.6645 8.9368 8.9531 9.0152 9.0285 9.5468 9.5469 12.5308 12.5312 14.3042 14.3093 14.7392 14.7440 14.7554 14.7564 k =-0.4985 0.5000 0.4716 ( 2704 PWs) bands (ev): -44.8878 -44.8878 -21.7155 -21.7155 -21.1569 -21.1569 -20.8735 -20.8735 -13.6904 -13.6903 -8.8547 -8.8542 -6.2510 -6.2509 -6.2284 -6.2282 -0.3394 -0.3336 0.9070 0.9070 5.0775 5.0962 5.9342 5.9342 6.4840 6.4841 7.6009 7.6153 8.3140 8.3164 8.5058 8.5259 8.6949 8.6972 8.9139 8.9250 8.9867 8.9981 9.5472 9.5473 12.5552 12.5555 14.2711 14.2743 14.7383 14.7414 14.7539 14.7547 k =-0.4985 0.5000 0.4840 ( 2726 PWs) bands (ev): -44.8878 -44.8878 -21.7156 -21.7156 -21.1570 -21.1570 -20.8737 -20.8737 -13.6869 -13.6869 -8.8648 -8.8645 -6.2503 -6.2503 -6.2276 -6.2275 -0.3398 -0.3368 0.9041 0.9042 5.1630 5.1728 5.9350 5.9350 6.4841 6.4841 7.5245 7.5319 8.3157 8.3170 8.5226 8.5330 8.7212 8.7217 8.8972 8.9042 8.9681 8.9759 9.5475 9.5475 12.5704 12.5706 14.2509 14.2525 14.7380 14.7396 14.7530 14.7538 k =-0.4985 0.5000 0.4965 ( 2728 PWs) bands (ev): -44.8878 -44.8878 -21.7156 -21.7156 -21.1571 -21.1570 -20.8737 -20.8737 -13.6857 -13.6857 -8.8681 -8.8680 -6.2501 -6.2500 -6.2274 -6.2273 -0.3389 -0.3389 0.9032 0.9033 5.1963 5.1963 5.9353 5.9353 6.4841 6.4841 7.5002 7.5002 8.3164 8.3170 8.5319 8.5323 8.7313 8.7317 8.8906 8.8959 8.9623 8.9670 9.5476 9.5476 12.5756 12.5757 14.2446 14.2446 14.7381 14.7388 14.7528 14.7534 k =-0.4985 0.5000 0.4965 ( 2728 PWs) bands (ev): -44.8878 -44.8878 -21.7156 -21.7156 -21.1571 -21.1570 -20.8737 -20.8737 -13.6857 -13.6857 -8.8681 -8.8680 -6.2501 -6.2500 -6.2274 -6.2273 -0.3389 -0.3389 0.9032 0.9033 5.1963 5.1963 5.9353 5.9353 6.4841 6.4841 7.5002 7.5002 8.3164 8.3170 8.5319 8.5323 8.7313 8.7317 8.8906 8.8959 8.9623 8.9670 9.5476 9.5476 12.5756 12.5757 14.2446 14.2446 14.7381 14.7388 14.7528 14.7534 k =-0.5000 0.4985 0.4965 ( 2728 PWs) bands (ev): -44.8878 -44.8878 -21.7156 -21.7156 -21.1570 -21.1570 -20.8737 -20.8737 -13.6857 -13.6857 -8.8680 -8.8680 -6.2501 -6.2501 -6.2273 -6.2273 -0.3389 -0.3389 0.9032 0.9032 5.1963 5.1963 5.9352 5.9352 6.4841 6.4841 7.5002 7.5002 8.3174 8.3174 8.5321 8.5321 8.7315 8.7315 8.8932 8.8932 8.9647 8.9647 9.5469 9.5469 12.5756 12.5756 14.2446 14.2446 14.7385 14.7385 14.7531 14.7531 k =-0.5000 0.4985 0.4965 ( 2728 PWs) bands (ev): -44.8878 -44.8878 -21.7156 -21.7156 -21.1570 -21.1570 -20.8737 -20.8737 -13.6857 -13.6857 -8.8680 -8.8680 -6.2501 -6.2501 -6.2273 -6.2273 -0.3389 -0.3389 0.9032 0.9032 5.1963 5.1963 5.9352 5.9352 6.4841 6.4841 7.5002 7.5002 8.3174 8.3174 8.5321 8.5321 8.7315 8.7315 8.8932 8.8932 8.9647 8.9647 9.5469 9.5469 12.5756 12.5756 14.2446 14.2446 14.7385 14.7385 14.7531 14.7531 k =-0.5000 0.4985 0.4840 ( 2724 PWs) bands (ev): -44.8878 -44.8878 -21.7156 -21.7156 -21.1570 -21.1570 -20.8737 -20.8737 -13.6869 -13.6869 -8.8648 -8.8645 -6.2503 -6.2503 -6.2276 -6.2275 -0.3398 -0.3368 0.9042 0.9042 5.1630 5.1728 5.9350 5.9350 6.4840 6.4841 7.5245 7.5319 8.3164 8.3176 8.5226 8.5330 8.7213 8.7217 8.8992 8.9021 8.9691 8.9750 9.5467 9.5468 12.5704 12.5705 14.2509 14.2525 14.7381 14.7396 14.7534 14.7534 k =-0.5000 0.4985 0.4716 ( 2708 PWs) bands (ev): -44.8878 -44.8878 -21.7155 -21.7155 -21.1569 -21.1569 -20.8736 -20.8736 -13.6904 -13.6903 -8.8547 -8.8542 -6.2510 -6.2509 -6.2284 -6.2282 -0.3395 -0.3336 0.9070 0.9070 5.0775 5.0962 5.9341 5.9341 6.4840 6.4841 7.6009 7.6153 8.3148 8.3170 8.5058 8.5259 8.6954 8.6966 8.9155 8.9231 8.9877 8.9974 9.5465 9.5465 12.5551 12.5555 14.2711 14.2744 14.7383 14.7414 14.7542 14.7543 k =-0.5000 0.4985 0.4592 ( 2696 PWs) bands (ev): -44.8878 -44.8878 -21.7155 -21.7155 -21.1569 -21.1569 -20.8734 -20.8734 -13.6961 -13.6960 -8.8380 -8.8372 -6.2521 -6.2519 -6.2298 -6.2295 -0.3380 -0.3291 0.9117 0.9117 4.9496 4.9756 5.9327 5.9327 6.4839 6.4841 7.7185 7.7398 8.3129 8.3152 8.4841 8.5132 8.6608 8.6636 8.9381 8.9516 9.0163 9.0280 9.5460 9.5461 12.5307 12.5312 14.3042 14.3093 14.7393 14.7439 14.7558 14.7559 k =-0.5000 0.4985 0.4468 ( 2680 PWs) bands (ev): -44.8878 -44.8878 -21.7154 -21.7154 -21.1569 -21.1569 -20.8731 -20.8731 -13.7040 -13.7039 -8.8146 -8.8136 -6.2536 -6.2534 -6.2316 -6.2312 -0.3355 -0.3235 0.9182 0.9182 4.7900 4.8221 5.9308 5.9308 6.4839 6.4841 7.8625 7.8926 8.3115 8.3118 8.4611 8.4991 8.6220 8.6276 8.9649 8.9846 9.0505 9.0637 9.5454 9.5455 12.4982 12.4988 14.3489 14.3561 14.7410 14.7471 14.7581 14.7587 k =-0.5000 0.4985 0.4344 ( 2688 PWs) bands (ev): -44.8878 -44.8878 -21.7155 -21.7155 -21.1570 -21.1570 -20.8730 -20.8730 -13.7140 -13.7139 -8.7847 -8.7835 -6.2555 -6.2553 -6.2339 -6.2333 -0.3319 -0.3169 0.9266 0.9266 4.6082 4.6453 5.9284 5.9284 6.4838 6.4840 8.0125 8.0590 8.3060 8.3135 8.4439 8.4902 8.5814 8.5937 8.9949 9.0208 9.0875 9.1028 9.5446 9.5447 12.4590 12.4596 14.4031 14.4130 14.7434 14.7507 14.7614 14.7635 k =-0.5000 0.4985 0.4220 ( 2696 PWs) bands (ev): -44.8878 -44.8878 -21.7155 -21.7155 -21.1571 -21.1571 -20.8730 -20.8729 -13.7260 -13.7259 -8.7484 -8.7469 -6.2578 -6.2575 -6.2366 -6.2360 -0.3275 -0.3092 0.9367 0.9367 4.4109 4.4523 5.9255 5.9255 6.4836 6.4839 8.1315 8.2086 8.2975 8.3247 8.4543 8.4931 8.5415 8.5816 9.0271 9.0599 9.1262 9.1450 9.5436 9.5438 12.4143 12.4149 14.4644 14.4779 14.7465 14.7542 14.7664 14.7716 k =-0.5000 0.4985 0.4096 ( 2696 PWs) bands (ev): -44.8878 -44.8878 -21.7155 -21.7155 -21.1571 -21.1571 -20.8728 -20.8728 -13.7399 -13.7398 -8.7059 -8.7042 -6.2605 -6.2602 -6.2399 -6.2391 -0.3223 -0.3006 0.9485 0.9485 4.2032 4.2486 5.9221 5.9222 6.4835 6.4838 8.1810 8.2621 8.3008 8.3370 8.4806 8.4928 8.5606 8.6611 9.0608 9.1016 9.1660 9.1918 9.5425 9.5427 12.3654 12.3661 14.5294 14.5478 14.7504 14.7576 14.7749 14.7856 k =-0.5000 0.4985 0.3972 ( 2704 PWs) bands (ev): -44.8879 -44.8879 -21.7155 -21.7155 -21.1572 -21.1572 -20.8727 -20.8726 -13.7555 -13.7553 -8.6574 -8.6554 -6.2636 -6.2632 -6.2435 -6.2426 -0.3164 -0.2913 0.9619 0.9620 3.9886 4.0377 5.9183 5.9184 6.4834 6.4838 8.1823 8.2417 8.3037 8.3324 8.4515 8.4581 8.7209 8.8254 9.0959 9.1460 9.2081 9.2483 9.5412 9.5415 12.3134 12.3141 14.5924 14.6171 14.7549 14.7609 14.7916 14.8097 k =-0.5000 0.4985 0.3848 ( 2704 PWs) bands (ev): -44.8879 -44.8879 -21.7155 -21.7155 -21.1572 -21.1572 -20.8725 -20.8724 -13.7726 -13.7724 -8.6030 -8.6007 -6.2670 -6.2665 -6.2475 -6.2466 -0.3102 -0.2813 0.9770 0.9770 3.7697 3.8224 5.9141 5.9142 6.4832 6.4837 8.1647 8.2102 8.2924 8.3143 8.4233 8.4248 8.8846 9.0135 9.1345 9.1918 9.2583 9.3277 9.5398 9.5401 12.2593 12.2600 14.6450 14.6742 14.7595 14.7644 14.8274 14.8511 k =-0.5000 0.4985 0.3723 ( 2704 PWs) bands (ev): -44.8879 -44.8879 -21.7155 -21.7155 -21.1573 -21.1573 -20.8722 -20.8722 -13.7911 -13.7909 -8.5430 -8.5404 -6.2707 -6.2702 -6.2519 -6.2508 -0.3037 -0.2710 0.9935 0.9936 3.5483 3.6047 5.9094 5.9095 6.4831 6.4836 8.1386 8.1746 8.2719 8.2868 8.3981 8.4011 9.0152 9.1427 9.2032 9.2361 9.3515 9.4504 9.5382 9.5386 12.2038 12.2045 14.6816 14.7086 14.7641 14.7681 14.8920 14.9145 k =-0.5000 0.4985 0.3599 ( 2704 PWs) bands (ev): -44.8879 -44.8879 -21.7155 -21.7155 -21.1573 -21.1573 -20.8720 -20.8719 -13.8109 -13.8107 -8.4776 -8.4746 -6.2747 -6.2741 -6.2566 -6.2555 -0.2973 -0.2604 1.0114 1.0115 3.3259 3.3861 5.9044 5.9045 6.4829 6.4835 8.1077 8.1371 8.2429 8.2523 8.3792 8.3854 9.1045 9.1866 9.2717 9.2766 9.5338 9.5370 9.5388 9.6212 12.1477 12.1483 14.7047 14.7267 14.7686 14.7720 14.9784 14.9966 k =-0.5000 0.4985 0.3475 ( 2712 PWs) bands (ev): -44.8879 -44.8879 -21.7156 -21.7155 -21.1574 -21.1574 -20.8717 -20.8717 -13.8316 -13.8314 -8.4071 -8.4038 -6.2790 -6.2783 -6.2617 -6.2604 -0.2913 -0.2499 1.0307 1.0308 3.1037 3.1678 5.8990 5.8992 6.4828 6.4834 8.0742 8.0985 8.2076 8.2133 8.3668 8.3744 9.1663 9.2208 9.3134 9.3146 9.5347 9.5353 9.7580 9.8234 12.0914 12.0919 14.7201 14.7377 14.7733 14.7762 15.0766 15.0910 k =-0.5000 0.4985 0.3351 ( 2712 PWs) bands (ev): -44.8879 -44.8879 -21.7156 -21.7155 -21.1575 -21.1575 -20.8714 -20.8714 -13.8532 -13.8530 -8.3316 -8.3280 -6.2836 -6.2828 -6.2670 -6.2656 -0.2861 -0.2399 1.0511 1.0513 2.8828 2.9511 5.8934 5.8936 6.4827 6.4833 8.0390 8.0597 8.1685 8.1720 8.3584 8.3662 9.2140 9.2526 9.3474 9.3500 9.5328 9.5335 9.9893 10.0414 12.0354 12.0358 14.7315 14.7459 14.7780 14.7806 15.1818 15.1933 k =-0.5000 0.4985 0.3227 ( 2708 PWs) bands (ev): -44.8879 -44.8879 -21.7156 -21.7155 -21.1575 -21.1575 -20.8711 -20.8710 -13.8755 -13.8753 -8.2516 -8.2475 -6.2884 -6.2874 -6.2725 -6.2710 -0.2822 -0.2308 1.0725 1.0728 2.6641 2.7369 5.8875 5.8876 6.4826 6.4832 8.0031 8.0208 8.1273 8.1296 8.3523 8.3599 9.2539 9.2829 9.3788 9.3818 9.5309 9.5317 10.2238 10.2668 11.9800 11.9804 14.7409 14.7528 14.7829 14.7853 15.2918 15.3012 k =-0.5000 0.4985 0.3103 ( 2700 PWs) bands (ev): -44.8879 -44.8879 -21.7155 -21.7155 -21.1576 -21.1576 -20.8707 -20.8706 -13.8983 -13.8981 -8.1671 -8.1627 -6.2933 -6.2922 -6.2782 -6.2766 -0.2801 -0.2230 1.0949 1.0952 2.4486 2.5263 5.8813 5.8815 6.4825 6.4831 7.9668 7.9822 8.0853 8.0868 8.3477 8.3547 9.2892 9.3118 9.4080 9.4112 9.5289 9.5300 10.4591 10.4956 11.9256 11.9259 14.7490 14.7591 14.7879 14.7901 15.4054 15.4134 k =-0.5000 0.4985 0.2979 ( 2700 PWs) bands (ev): -44.8880 -44.8880 -21.7155 -21.7155 -21.1576 -21.1576 -20.8704 -20.8703 -13.9215 -13.9212 -8.0786 -8.0737 -6.2984 -6.2972 -6.2841 -6.2823 -0.2805 -0.2173 1.1180 1.1184 2.2374 2.3204 5.8750 5.8752 6.4824 6.4831 7.9305 7.9441 8.0430 8.0440 8.3439 8.3503 9.3211 9.3391 9.4351 9.4384 9.5268 9.5283 10.6939 10.7253 11.8724 11.8726 14.7565 14.7652 14.7930 14.7951 15.5123 15.5163 k =-0.5000 0.4985 0.2855 ( 2692 PWs) bands (ev): -44.8880 -44.8880 -21.7155 -21.7154 -21.1576 -21.1576 -20.8700 -20.8700 -13.9448 -13.9445 -7.9863 -7.9809 -6.3037 -6.3022 -6.2900 -6.2882 -0.2844 -0.2146 1.1415 1.1422 2.0318 2.1204 5.8685 5.8687 6.4823 6.4830 7.8946 7.9066 8.0009 8.0015 8.3406 8.3464 9.3502 9.3650 9.4600 9.4637 9.5248 9.5268 10.9271 10.9544 11.8205 11.8207 14.7636 14.7711 14.7983 14.8003 15.5166 15.5171 k =-0.5000 0.4985 0.2731 ( 2700 PWs) bands (ev): -44.8880 -44.8880 -21.7155 -21.7154 -21.1578 -21.1578 -20.8697 -20.8697 -13.9681 -13.9679 -7.8905 -7.8847 -6.3090 -6.3073 -6.2960 -6.2941 -0.2928 -0.2159 1.1652 1.1662 1.8333 1.9278 5.8619 5.8621 6.4823 6.4830 7.8591 7.8699 7.9593 7.9596 8.3377 8.3429 9.3770 9.3892 9.4823 9.4870 9.5229 9.5261 11.1580 11.1818 11.7703 11.7704 14.7704 14.7770 14.8036 14.8056 15.5165 15.5169 k =-0.5000 0.4985 0.2606 ( 2708 PWs) bands (ev): -44.8880 -44.8880 -21.7155 -21.7155 -21.1578 -21.1578 -20.8694 -20.8694 -13.9914 -13.9911 -7.7916 -7.7852 -6.3145 -6.3124 -6.3021 -6.3001 -0.3071 -0.2228 1.1881 1.1900 1.6444 1.7445 5.8552 5.8555 6.4823 6.4831 7.8243 7.8340 7.9183 7.9184 8.3350 8.3397 9.4017 9.4119 9.5005 9.5079 9.5217 9.5277 11.3860 11.4067 11.7217 11.7218 14.7771 14.7828 14.8091 14.8109 15.5164 15.5166 k =-0.5000 0.4985 0.2482 ( 2706 PWs) bands (ev): -44.8880 -44.8880 -21.7155 -21.7154 -21.1579 -21.1579 -20.8691 -20.8690 -14.0143 -14.0141 -7.6898 -7.6828 -6.3199 -6.3175 -6.3081 -6.3060 -0.3287 -0.2370 1.2077 1.2126 1.4696 1.5732 5.8485 5.8488 6.4823 6.4831 7.7904 7.7992 7.8781 7.8781 8.3325 8.3367 9.4243 9.4329 9.5102 9.5169 9.5307 9.5361 11.6102 11.6282 11.6750 11.6750 14.7835 14.7886 14.8146 14.8164 15.5161 15.5164 k =-0.5000 0.4985 0.2358 ( 2706 PWs) bands (ev): -44.8881 -44.8881 -21.7155 -21.7154 -21.1580 -21.1580 -20.8687 -20.8687 -14.0369 -14.0366 -7.5856 -7.5780 -6.3254 -6.3226 -6.3140 -6.3119 -0.3596 -0.2608 1.2057 1.2293 1.3293 1.4204 5.8419 5.8421 6.4824 6.4832 7.7575 7.7654 7.8388 7.8389 8.3302 8.3339 9.4448 9.4521 9.5124 9.5160 9.5481 9.5506 11.6301 11.6301 11.8304 11.8457 14.7899 14.7943 14.8201 14.8218 15.5159 15.5162 k =-0.5000 0.4985 0.2234 ( 2706 PWs) bands (ev): -44.8881 -44.8881 -21.7155 -21.7154 -21.1580 -21.1580 -20.8684 -20.8683 -14.0590 -14.0587 -7.4793 -7.4710 -6.3309 -6.3276 -6.3198 -6.3176 -0.4015 -0.2968 1.1141 1.2078 1.2945 1.3204 5.8352 5.8355 6.4825 6.4833 7.7256 7.7328 7.8006 7.8008 8.3280 8.3312 9.4633 9.4693 9.5124 9.5149 9.5646 9.5659 11.5872 11.5873 12.0456 12.0585 14.7961 14.8000 14.8256 14.8273 15.5157 15.5159 k =-0.5000 0.4985 0.2110 ( 2710 PWs) bands (ev): -44.8881 -44.8881 -21.7155 -21.7154 -21.1581 -21.1581 -20.8681 -20.8680 -14.0804 -14.0802 -7.3715 -7.3622 -6.3363 -6.3324 -6.3255 -6.3232 -0.4562 -0.3476 0.9908 1.1081 1.3098 1.3150 5.8287 5.8290 6.4826 6.4835 7.6948 7.7014 7.7637 7.7640 8.3258 8.3287 9.4791 9.4839 9.5126 9.5147 9.5796 9.5804 11.5465 11.5465 12.2552 12.2658 14.8022 14.8056 14.8310 14.8327 15.5154 15.5156 k =-0.5000 0.4985 0.1986 ( 2712 PWs) bands (ev): -44.8881 -44.8881 -21.7155 -21.7154 -21.1582 -21.1582 -20.8678 -20.8677 -14.1012 -14.1009 -7.2624 -7.2523 -6.3416 -6.3370 -6.3310 -6.3286 -0.5246 -0.4152 0.8815 1.0019 1.3318 1.3337 5.8224 5.8227 6.4828 6.4836 7.6654 7.6713 7.7280 7.7284 8.3238 8.3263 9.4908 9.4943 9.5150 9.5174 9.5931 9.5937 11.5078 11.5079 12.4586 12.4671 14.8081 14.8111 14.8363 14.8381 15.5152 15.5154 k =-0.5000 0.4985 0.1862 ( 2704 PWs) bands (ev): -44.8881 -44.8881 -21.7155 -21.7154 -21.1582 -21.1582 -20.8674 -20.8673 -14.1211 -14.1209 -7.1528 -7.1415 -6.3468 -6.3414 -6.3362 -6.3337 -0.6071 -0.5001 0.7921 0.9099 1.3550 1.3560 5.8162 5.8165 6.4830 6.4839 7.6372 7.6426 7.6939 7.6944 8.3219 8.3241 9.4965 9.4985 9.5218 9.5248 9.6052 9.6056 11.4713 11.4714 12.6551 12.6617 14.8138 14.8164 14.8416 14.8433 15.5149 15.5151 k =-0.5000 0.4985 0.1738 ( 2712 PWs) bands (ev): -44.8881 -44.8881 -21.7155 -21.7154 -21.1583 -21.1583 -20.8671 -20.8671 -14.1401 -14.1399 -7.0433 -7.0307 -6.3519 -6.3456 -6.3411 -6.3383 -0.7024 -0.6010 0.7228 0.8345 1.3783 1.3789 5.8102 5.8105 6.4833 6.4841 7.6105 7.6153 7.6613 7.6618 8.3200 8.3219 9.4976 9.4990 9.5317 9.5346 9.6159 9.6162 11.4371 11.4372 12.8440 12.8488 14.8194 14.8216 14.8467 14.8484 15.5147 15.5149 k =-0.5000 0.4985 0.1613 ( 2712 PWs) bands (ev): -44.8882 -44.8882 -21.7155 -21.7154 -21.1584 -21.1584 -20.8668 -20.8668 -14.1581 -14.1579 -6.9347 -6.9203 -6.3566 -6.3495 -6.3457 -6.3421 -0.8086 -0.7149 0.6715 0.7746 1.4012 1.4015 5.8045 5.8048 6.4836 6.4844 7.5853 7.5896 7.6304 7.6310 8.3183 8.3199 9.4971 9.4981 9.5419 9.5445 9.6253 9.6256 11.4051 11.4052 13.0246 13.0278 14.8247 14.8266 14.8516 14.8533 15.5144 15.5146 k =-0.5000 0.4985 0.1489 ( 2712 PWs) bands (ev): -44.8882 -44.8882 -21.7155 -21.7154 -21.1584 -21.1584 -20.8665 -20.8665 -14.1751 -14.1749 -6.8279 -6.8113 -6.3611 -6.3533 -6.3499 -6.3447 -0.9227 -0.8379 0.6349 0.7282 1.4232 1.4235 5.7990 5.7993 6.4839 6.4847 7.5616 7.5654 7.6013 7.6019 8.3166 8.3181 9.4960 9.4969 9.5514 9.5537 9.6336 9.6338 11.3754 11.3755 13.1962 13.1978 14.8297 14.8313 14.8563 14.8579 15.5142 15.5144 k =-0.5000 0.4985 0.1365 ( 2716 PWs) bands (ev): -44.8882 -44.8882 -21.7155 -21.7154 -21.1585 -21.1585 -20.8663 -20.8662 -14.1909 -14.1907 -6.7246 -6.7046 -6.3652 -6.3570 -6.3534 -6.3454 -1.0416 -0.9660 0.6098 0.6929 1.4443 1.4445 5.7939 5.7942 6.4843 6.4850 7.5396 7.5429 7.5740 7.5748 8.3151 8.3163 9.4947 9.4954 9.5599 9.5619 9.6408 9.6410 11.3480 11.3482 13.3579 13.3582 14.8345 14.8358 14.8607 14.8624 15.5140 15.5142 k =-0.5000 0.4985 0.1241 ( 2720 PWs) bands (ev): -44.8882 -44.8882 -21.7155 -21.7155 -21.1586 -21.1586 -20.8660 -20.8660 -14.2056 -14.2054 -6.6269 -6.6018 -6.3686 -6.3607 -6.3559 -6.3425 -1.1621 -1.0955 0.5934 0.6665 1.4641 1.4643 5.7891 5.7894 6.4846 6.4853 7.5192 7.5220 7.5488 7.5496 8.3137 8.3147 9.4934 9.4940 9.5675 9.5692 9.6469 9.6471 11.3230 11.3231 13.5081 13.5090 14.8389 14.8400 14.8649 14.8665 15.5137 15.5139 k =-0.5000 0.4985 0.1117 ( 2720 PWs) bands (ev): -44.8882 -44.8882 -21.7155 -21.7155 -21.1586 -21.1586 -20.8658 -20.8658 -14.2190 -14.2188 -6.5397 -6.5061 -6.3711 -6.3641 -6.3553 -6.3325 -1.2814 -1.2233 0.5832 0.6469 1.4826 1.4827 5.7847 5.7850 6.4850 6.4857 7.5005 7.5029 7.5256 7.5265 8.3124 8.3132 9.4921 9.4926 9.5741 9.5755 9.6522 9.6523 11.3003 11.3004 13.6469 13.6487 14.8431 14.8440 14.8688 14.8703 15.5135 15.5137 k =-0.5000 0.4985 0.0993 ( 2720 PWs) bands (ev): -44.8882 -44.8882 -21.7155 -21.7154 -21.1587 -21.1587 -20.8656 -20.8655 -14.2311 -14.2310 -6.4723 -6.4299 -6.3725 -6.3674 -6.3407 -6.3070 -1.3967 -1.3466 0.5776 0.6325 1.4996 1.4997 5.7807 5.7810 6.4854 6.4860 7.4837 7.4855 7.5046 7.5057 8.3112 8.3119 9.4908 9.4913 9.5798 9.5809 9.6566 9.6567 11.2799 11.2801 13.7737 13.7763 14.8469 14.8476 14.8723 14.8738 15.5133 15.5135 k =-0.5000 0.4985 0.0869 ( 2720 PWs) bands (ev): -44.8882 -44.8882 -21.7155 -21.7154 -21.1587 -21.1587 -20.8654 -20.8654 -14.2419 -14.2418 -6.4337 -6.3997 -6.3736 -6.3703 -6.2856 -6.2586 -1.5054 -1.4627 0.5752 0.6218 1.5149 1.5150 5.7772 5.7774 6.4857 6.4863 7.4686 7.4700 7.4860 7.4871 8.3101 8.3107 9.4897 9.4901 9.5846 9.5856 9.6603 9.6604 11.2620 11.2621 13.8878 13.8908 14.8504 14.8508 14.8755 14.8770 15.5131 15.5133 k =-0.5000 0.4985 0.0745 ( 2716 PWs) bands (ev): -44.8882 -44.8882 -21.7154 -21.7154 -21.1587 -21.1587 -20.8652 -20.8652 -14.2513 -14.2512 -6.4167 -6.3949 -6.3751 -6.3729 -6.2119 -6.1956 -1.6053 -1.5694 0.5750 0.6140 1.5284 1.5285 5.7740 5.7742 6.4861 6.4866 7.4554 7.4563 7.4697 7.4710 8.3092 8.3096 9.4887 9.4890 9.5886 9.5894 9.6633 9.6634 11.2464 11.2465 13.9884 13.9917 14.8534 14.8537 14.8784 14.8797 15.5130 15.5131 k =-0.5000 0.4985 0.0621 ( 2704 PWs) bands (ev): -44.8882 -44.8882 -21.7154 -21.7154 -21.1587 -21.1587 -20.8649 -20.8649 -14.2593 -14.2592 -6.4093 -6.3949 -6.3767 -6.3751 -6.1414 -6.1316 -1.6940 -1.6646 0.5763 0.6080 1.5401 1.5401 5.7714 5.7715 6.4864 6.4868 7.4440 7.4445 7.4560 7.4573 8.3084 8.3087 9.4879 9.4881 9.5919 9.5925 9.6657 9.6658 11.2332 11.2333 14.0750 14.0783 14.8561 14.8563 14.8808 14.8820 15.5128 15.5129 k =-0.5000 0.4985 0.0496 ( 2704 PWs) bands (ev): -44.8883 -44.8883 -21.7154 -21.7154 -21.1587 -21.1587 -20.8648 -20.8648 -14.2659 -14.2658 -6.4058 -6.3961 -6.3781 -6.3770 -6.0799 -6.0738 -1.7696 -1.7463 0.5785 0.6034 1.5497 1.5498 5.7691 5.7693 6.4867 6.4871 7.4345 7.4347 7.4448 7.4461 8.3077 8.3080 9.4871 9.4873 9.5945 9.5950 9.6676 9.6677 11.2224 11.2225 14.1468 14.1499 14.8583 14.8584 14.8829 14.8839 15.5127 15.5128 k =-0.5000 0.4985 0.0372 ( 2704 PWs) bands (ev): -44.8883 -44.8883 -21.7154 -21.7154 -21.1588 -21.1588 -20.8647 -20.8647 -14.2711 -14.2710 -6.4040 -6.3975 -6.3793 -6.3785 -6.0297 -6.0260 -1.8300 -1.8127 0.5812 0.5996 1.5573 1.5574 5.7674 5.7675 6.4870 6.4872 7.4269 7.4269 7.4363 7.4374 8.3072 8.3074 9.4866 9.4867 9.5965 9.5969 9.6690 9.6691 11.2140 11.2140 14.2034 14.2059 14.8601 14.8601 14.8845 14.8854 15.5126 15.5127 k =-0.5000 0.4985 0.0248 ( 2708 PWs) bands (ev): -44.8883 -44.8883 -21.7154 -21.7154 -21.1588 -21.1588 -20.8646 -20.8646 -14.2748 -14.2747 -6.4028 -6.3988 -6.3801 -6.3796 -5.9926 -5.9904 -1.8736 -1.8622 0.5841 0.5963 1.5628 1.5628 5.7662 5.7662 6.4872 6.4873 7.4212 7.4213 7.4304 7.4312 8.3068 8.3070 9.4862 9.4863 9.5979 9.5981 9.6700 9.6701 11.2080 11.2080 14.2443 14.2461 14.8614 14.8614 14.8858 14.8864 15.5125 15.5126 k =-0.5000 0.4985 0.0124 ( 2700 PWs) bands (ev): -44.8883 -44.8883 -21.7154 -21.7154 -21.1588 -21.1588 -20.8645 -20.8645 -14.2770 -14.2769 -6.4019 -6.4000 -6.3805 -6.3803 -5.9696 -5.9686 -1.8992 -1.8935 0.5872 0.5932 1.5661 1.5661 5.7654 5.7655 6.4873 6.4874 7.4178 7.4179 7.4269 7.4274 8.3066 8.3067 9.4860 9.4860 9.5988 9.5989 9.6706 9.6706 11.2044 11.2044 14.2692 14.2702 14.8621 14.8621 14.8866 14.8869 15.5125 15.5125 k =-0.5000 0.4985 0.0000 ( 2700 PWs) bands (ev): -44.8883 -44.8883 -21.7154 -21.7154 -21.1588 -21.1588 -20.8645 -20.8645 -14.2777 -14.2777 -6.4010 -6.4010 -6.3806 -6.3806 -5.9616 -5.9616 -1.9060 -1.9060 0.5902 0.5902 1.5672 1.5672 5.7652 5.7652 6.4874 6.4874 7.4167 7.4167 7.4260 7.4260 8.3066 8.3066 9.4859 9.4859 9.5991 9.5991 9.6708 9.6708 11.2032 11.2032 14.2779 14.2779 14.8624 14.8624 14.8870 14.8870 15.5125 15.5125 k = 0.0000 0.0000 0.4965 ( 2730 PWs) bands (ev): -44.8905 -44.8905 -21.6645 -21.6645 -21.0870 -21.0870 -20.8668 -20.8668 -13.8141 -13.8141 -9.9750 -9.9750 -6.3020 -6.3020 -4.8815 -4.8815 0.4272 0.4272 1.9373 1.9373 4.3646 4.3646 4.4395 4.4395 5.2498 5.2498 6.9909 6.9909 7.8796 7.8796 8.1122 8.1122 8.8150 8.8150 8.8845 8.8845 13.0796 13.0796 13.1799 13.1799 13.2587 13.2587 13.9210 13.9210 13.9911 13.9911 14.0929 14.0929 k =-0.0089 0.0089 0.4965 ( 2730 PWs) bands (ev): -44.8905 -44.8905 -21.6646 -21.6646 -21.0871 -21.0871 -20.8668 -20.8668 -13.8140 -13.8140 -9.9742 -9.9742 -6.3019 -6.3019 -4.8826 -4.8826 0.4265 0.4265 1.9363 1.9363 4.3661 4.3661 4.4412 4.4412 5.2499 5.2499 6.9912 6.9912 7.8805 7.8805 8.1129 8.1129 8.8123 8.8123 8.8822 8.8822 13.0805 13.0805 13.1800 13.1800 13.2596 13.2596 13.9192 13.9192 13.9901 13.9901 14.0926 14.0926 k =-0.0179 0.0178 0.4965 ( 2734 PWs) bands (ev): -44.8905 -44.8905 -21.6647 -21.6647 -21.0873 -21.0873 -20.8668 -20.8668 -13.8137 -13.8137 -9.9719 -9.9719 -6.3018 -6.3018 -4.8861 -4.8861 0.4245 0.4245 1.9333 1.9333 4.3704 4.3704 4.4464 4.4464 5.2503 5.2503 6.9924 6.9924 7.8831 7.8831 8.1148 8.1148 8.8044 8.8044 8.8754 8.8754 13.0832 13.0832 13.1802 13.1802 13.2624 13.2624 13.9136 13.9136 13.9872 13.9872 14.0919 14.0919 k =-0.0268 0.0267 0.4965 ( 2720 PWs) bands (ev): -44.8904 -44.8904 -21.6648 -21.6648 -21.0874 -21.0874 -20.8668 -20.8668 -13.8132 -13.8132 -9.9680 -9.9680 -6.3017 -6.3017 -4.8918 -4.8918 0.4211 0.4211 1.9283 1.9283 4.3776 4.3776 4.4549 4.4549 5.2509 5.2509 6.9944 6.9944 7.8875 7.8875 8.1180 8.1180 8.7913 8.7913 8.8641 8.8641 13.0876 13.0876 13.1804 13.1804 13.2672 13.2672 13.9042 13.9042 13.9824 13.9824 14.0910 14.0910 k =-0.0357 0.0356 0.4965 ( 2720 PWs) bands (ev): -44.8904 -44.8904 -21.6651 -21.6651 -21.0879 -21.0879 -20.8669 -20.8669 -13.8126 -13.8126 -9.9626 -9.9626 -6.3014 -6.3014 -4.8998 -4.8998 0.4163 0.4163 1.9214 1.9214 4.3877 4.3877 4.4669 4.4669 5.2519 5.2519 6.9972 6.9972 7.8937 7.8937 8.1225 8.1225 8.7729 8.7729 8.8485 8.8485 13.0934 13.0934 13.1804 13.1804 13.2742 13.2742 13.8911 13.8911 13.9756 13.9756 14.0899 14.0899 k =-0.0446 0.0445 0.4965 ( 2720 PWs) bands (ev): -44.8904 -44.8904 -21.6655 -21.6655 -21.0884 -21.0884 -20.8669 -20.8669 -13.8117 -13.8117 -9.9557 -9.9557 -6.3011 -6.3011 -4.9100 -4.9100 0.4102 0.4102 1.9125 1.9125 4.4006 4.4006 4.4823 4.4823 5.2531 5.2531 7.0007 7.0007 7.9015 7.9015 8.1281 8.1281 8.7496 8.7496 8.8286 8.8286 13.1001 13.1001 13.1803 13.1803 13.2833 13.2833 13.8743 13.8743 13.9670 13.9670 14.0891 14.0891 k =-0.0536 0.0534 0.4965 ( 2720 PWs) bands (ev): -44.8904 -44.8904 -21.6659 -21.6659 -21.0890 -21.0890 -20.8670 -20.8670 -13.8107 -13.8107 -9.9473 -9.9473 -6.3007 -6.3007 -4.9224 -4.9224 0.4029 0.4029 1.9018 1.9018 4.4162 4.4162 4.5011 4.5011 5.2547 5.2547 7.0050 7.0050 7.9109 7.9109 8.1350 8.1350 8.7213 8.7213 8.8047 8.8047 13.1071 13.1071 13.1797 13.1797 13.2948 13.2948 13.8538 13.8538 13.9568 13.9568 14.0886 14.0886 k =-0.0625 0.0623 0.4965 ( 2722 PWs) bands (ev): -44.8904 -44.8904 -21.6665 -21.6665 -21.0898 -21.0898 -20.8670 -20.8670 -13.8095 -13.8095 -9.9373 -9.9373 -6.3003 -6.3003 -4.9370 -4.9370 0.3942 0.3942 1.8893 1.8893 4.4346 4.4346 4.5232 4.5232 5.2567 5.2567 7.0099 7.0099 7.9220 7.9220 8.1430 8.1430 8.6882 8.6882 8.7770 8.7770 13.1139 13.1139 13.1788 13.1788 13.3087 13.3087 13.8295 13.8295 13.9456 13.9456 14.0886 14.0886 k =-0.0714 0.0712 0.4965 ( 2726 PWs) bands (ev): -44.8903 -44.8903 -21.6671 -21.6671 -21.0906 -21.0906 -20.8672 -20.8672 -13.8081 -13.8081 -9.9259 -9.9259 -6.2997 -6.2997 -4.9536 -4.9536 0.3844 0.3844 1.8750 1.8750 4.4556 4.4556 4.5487 4.5487 5.2590 5.2590 7.0156 7.0156 7.9345 7.9345 8.1521 8.1521 8.6506 8.6506 8.7456 8.7456 13.1195 13.1195 13.1774 13.1774 13.3249 13.3249 13.8016 13.8016 13.9341 13.9341 14.0891 14.0891 k =-0.0804 0.0801 0.4965 ( 2726 PWs) bands (ev): -44.8903 -44.8903 -21.6678 -21.6678 -21.0916 -21.0916 -20.8673 -20.8673 -13.8065 -13.8065 -9.9131 -9.9131 -6.2991 -6.2991 -4.9722 -4.9722 0.3734 0.3734 1.8591 1.8591 4.4792 4.4792 4.5775 4.5775 5.2618 5.2618 7.0219 7.0219 7.9484 7.9484 8.1622 8.1622 8.6087 8.6087 8.7109 8.7109 13.1229 13.1229 13.1756 13.1756 13.3435 13.3435 13.7699 13.7699 13.9233 13.9233 14.0900 14.0900 k =-0.0893 0.0890 0.4965 ( 2730 PWs) bands (ev): -44.8903 -44.8903 -21.6685 -21.6685 -21.0926 -21.0926 -20.8674 -20.8674 -13.8048 -13.8048 -9.8989 -9.8989 -6.2985 -6.2985 -4.9927 -4.9927 0.3612 0.3612 1.8416 1.8416 4.5052 4.5052 4.6095 4.6095 5.2652 5.2652 7.0289 7.0289 7.9636 7.9636 8.1732 8.1732 8.5627 8.5627 8.6729 8.6730 13.1230 13.1230 13.1732 13.1732 13.3642 13.3642 13.7345 13.7345 13.9143 13.9143 14.0914 14.0914 k =-0.0982 0.0979 0.4965 ( 2728 PWs) bands (ev): -44.8902 -44.8902 -21.6694 -21.6694 -21.0938 -21.0938 -20.8675 -20.8675 -13.8029 -13.8029 -9.8833 -9.8833 -6.2977 -6.2977 -5.0151 -5.0151 0.3480 0.3480 1.8226 1.8226 4.5336 4.5336 4.6448 4.6448 5.2692 5.2692 7.0365 7.0365 7.9800 7.9800 8.1852 8.1852 8.5128 8.5128 8.6322 8.6322 13.1186 13.1186 13.1701 13.1701 13.3872 13.3872 13.6955 13.6955 13.9085 13.9085 14.0932 14.0932 k =-0.1071 0.1068 0.4965 ( 2726 PWs) bands (ev): -44.8902 -44.8902 -21.6702 -21.6702 -21.0950 -21.0950 -20.8676 -20.8676 -13.8008 -13.8008 -9.8663 -9.8663 -6.2969 -6.2969 -5.0393 -5.0393 0.3337 0.3337 1.8022 1.8022 4.5641 4.5641 4.6833 4.6833 5.2739 5.2739 7.0447 7.0447 7.9975 7.9975 8.1980 8.1980 8.4594 8.4594 8.5888 8.5888 13.1086 13.1086 13.1661 13.1661 13.4123 13.4123 13.6528 13.6528 13.9068 13.9068 14.0953 14.0953 k =-0.1161 0.1157 0.4965 ( 2726 PWs) bands (ev): -44.8901 -44.8901 -21.6712 -21.6712 -21.0964 -21.0964 -20.8678 -20.8678 -13.7986 -13.7986 -9.8481 -9.8481 -6.2960 -6.2960 -5.0651 -5.0651 0.3185 0.3185 1.7805 1.7805 4.5967 4.5967 4.7249 4.7249 5.2794 5.2794 7.0534 7.0534 8.0160 8.0160 8.2115 8.2115 8.4027 8.4027 8.5431 8.5431 13.0918 13.0918 13.1615 13.1615 13.4393 13.4393 13.6066 13.6066 13.9105 13.9105 14.0977 14.0977 k =-0.1250 0.1246 0.4965 ( 2726 PWs) bands (ev): -44.8901 -44.8901 -21.6722 -21.6722 -21.0978 -21.0978 -20.8679 -20.8679 -13.7962 -13.7962 -9.8286 -9.8286 -6.2950 -6.2950 -5.0925 -5.0925 0.3024 0.3024 1.7576 1.7576 4.6311 4.6311 4.7696 4.7696 5.2860 5.2860 7.0626 7.0626 8.0353 8.0353 8.2257 8.2257 8.3430 8.3430 8.4953 8.4953 13.0674 13.0674 13.1563 13.1563 13.4683 13.4683 13.5568 13.5568 13.9200 13.9200 14.1005 14.1005 k =-0.1339 0.1335 0.4965 ( 2726 PWs) bands (ev): -44.8900 -44.8900 -21.6733 -21.6733 -21.0993 -21.0993 -20.8681 -20.8681 -13.7937 -13.7937 -9.8079 -9.8079 -6.2940 -6.2940 -5.1213 -5.1213 0.2854 0.2854 1.7337 1.7337 4.6670 4.6670 4.8173 4.8173 5.2938 5.2938 7.0724 7.0724 8.0553 8.0553 8.2401 8.2401 8.2810 8.2810 8.4457 8.4457 13.0349 13.0349 13.1506 13.1506 13.4987 13.4987 13.5038 13.5038 13.9357 13.9357 14.1037 14.1037 k =-0.1429 0.1424 0.4965 ( 2726 PWs) bands (ev): -44.8900 -44.8900 -21.6744 -21.6744 -21.1008 -21.1008 -20.8682 -20.8682 -13.7910 -13.7910 -9.7861 -9.7861 -6.2929 -6.2929 -5.1515 -5.1515 0.2677 0.2677 1.7087 1.7087 4.7042 4.7042 4.8680 4.8680 5.3030 5.3030 7.0826 7.0826 8.0759 8.0759 8.2146 8.2146 8.2569 8.2569 8.3946 8.3946 12.9943 12.9943 13.1445 13.1445 13.4467 13.4467 13.5315 13.5315 13.9572 13.9572 14.1074 14.1074 k =-0.1518 0.1513 0.4965 ( 2724 PWs) bands (ev): -44.8899 -44.8899 -21.6755 -21.6755 -21.1024 -21.1024 -20.8684 -20.8684 -13.7883 -13.7883 -9.7632 -9.7632 -6.2917 -6.2917 -5.1830 -5.1830 0.2493 0.2493 1.6829 1.6829 4.7423 4.7423 4.9216 4.9216 5.3139 5.3139 7.0933 7.0933 8.0969 8.0969 8.1481 8.1481 8.2723 8.2723 8.3424 8.3424 12.9459 12.9459 13.1379 13.1379 13.3865 13.3865 13.5656 13.5656 13.9838 13.9838 14.1120 14.1120 k =-0.1607 0.1602 0.4965 ( 2720 PWs) bands (ev): -44.8898 -44.8898 -21.6767 -21.6767 -21.1041 -21.1041 -20.8685 -20.8685 -13.7854 -13.7854 -9.7392 -9.7392 -6.2904 -6.2904 -5.2156 -5.2156 0.2303 0.2303 1.6563 1.6563 4.7809 4.7809 4.9781 4.9781 5.3270 5.3270 7.1044 7.1044 8.0792 8.0792 8.1183 8.1183 8.2846 8.2846 8.2931 8.2931 12.8903 12.8903 13.1308 13.1308 13.3230 13.3230 13.6011 13.6011 14.0142 14.0142 14.1181 14.1181 k =-0.1696 0.1691 0.4965 ( 2724 PWs) bands (ev): -44.8898 -44.8898 -21.6780 -21.6780 -21.1059 -21.1059 -20.8687 -20.8687 -13.7823 -13.7823 -9.7143 -9.7143 -6.2890 -6.2890 -5.2492 -5.2492 0.2107 0.2107 1.6290 1.6290 4.8194 4.8194 5.0372 5.0372 5.3427 5.3427 7.1158 7.1158 8.0088 8.0088 8.1397 8.1397 8.2346 8.2346 8.3058 8.3058 12.8279 12.8279 13.1232 13.1232 13.2562 13.2562 13.6379 13.6379 14.0458 14.0458 14.1277 14.1277 k =-0.1786 0.1780 0.4965 ( 2724 PWs) bands (ev): -44.8897 -44.8897 -21.6793 -21.6793 -21.1077 -21.1077 -20.8689 -20.8689 -13.7792 -13.7792 -9.6884 -9.6884 -6.2876 -6.2876 -5.2838 -5.2838 0.1906 0.1906 1.6012 1.6012 4.8573 4.8573 5.0989 5.0989 5.3615 5.3615 7.1277 7.1277 7.9372 7.9372 8.1609 8.1609 8.1806 8.1806 8.3227 8.3227 12.7596 12.7596 13.1148 13.1148 13.1862 13.1862 13.6760 13.6760 14.0735 14.0735 14.1452 14.1452 k =-0.1875 0.1869 0.4965 ( 2720 PWs) bands (ev): -44.8896 -44.8896 -21.6806 -21.6806 -21.1095 -21.1095 -20.8691 -20.8691 -13.7760 -13.7760 -9.6617 -9.6617 -6.2861 -6.2861 -5.3191 -5.3191 0.1701 0.1701 1.5730 1.5730 4.8938 4.8938 5.1632 5.1632 5.3839 5.3839 7.1399 7.1399 7.8646 7.8646 8.1256 8.1256 8.1827 8.1828 8.3400 8.3400 12.6857 12.6857 13.1041 13.1041 13.1148 13.1148 13.7151 13.7151 14.0920 14.0920 14.1755 14.1755 k =-0.1964 0.1958 0.4965 ( 2728 PWs) bands (ev): -44.8896 -44.8896 -21.6820 -21.6820 -21.1114 -21.1114 -20.8693 -20.8693 -13.7727 -13.7727 -9.6342 -9.6342 -6.2846 -6.2846 -5.3551 -5.3551 0.1493 0.1493 1.5444 1.5444 4.9284 4.9284 5.2298 5.2298 5.4106 5.4106 7.1523 7.1523 7.7913 7.7913 8.0712 8.0712 8.2038 8.2038 8.3575 8.3575 12.6067 12.6067 13.0361 13.0361 13.0970 13.0970 13.7552 13.7552 14.1027 14.1027 14.2165 14.2165 k =-0.2054 0.2047 0.4965 ( 2724 PWs) bands (ev): -44.8895 -44.8895 -21.6834 -21.6834 -21.1133 -21.1133 -20.8695 -20.8695 -13.7693 -13.7693 -9.6061 -9.6061 -6.2830 -6.2830 -5.3917 -5.3917 0.1282 0.1282 1.5155 1.5155 4.9604 4.9604 5.2987 5.2987 5.4420 5.4420 7.1651 7.1651 7.7178 7.7178 8.0172 8.0172 8.2246 8.2246 8.3751 8.3751 12.5232 12.5232 12.9570 12.9570 13.0866 13.0866 13.7960 13.7960 14.1097 14.1097 14.2635 14.2635 k =-0.2143 0.2136 0.4965 ( 2724 PWs) bands (ev): -44.8894 -44.8894 -21.6848 -21.6848 -21.1153 -21.1153 -20.8697 -20.8697 -13.7659 -13.7659 -9.5772 -9.5772 -6.2813 -6.2813 -5.4287 -5.4287 0.1069 0.1069 1.4865 1.4865 4.9894 4.9894 5.3697 5.3697 5.4785 5.4785 7.1782 7.1782 7.6441 7.6441 7.9639 7.9639 8.2449 8.2449 8.3928 8.3928 12.4356 12.4356 12.8748 12.8748 13.0755 13.0755 13.8375 13.8375 14.1151 14.1151 14.3141 14.3141 k =-0.2232 0.2225 0.4965 ( 2720 PWs) bands (ev): -44.8894 -44.8894 -21.6862 -21.6862 -21.1172 -21.1172 -20.8698 -20.8698 -13.7624 -13.7624 -9.5479 -9.5479 -6.2795 -6.2795 -5.4660 -5.4660 0.0855 0.0855 1.4575 1.4575 5.0153 5.0153 5.4426 5.4426 5.5201 5.5201 7.1915 7.1915 7.5708 7.5708 7.9115 7.9115 8.2647 8.2647 8.4106 8.4106 12.3440 12.3440 12.7897 12.7897 13.0637 13.0637 13.8794 13.8794 14.1199 14.1199 14.3669 14.3669 k =-0.2321 0.2314 0.4965 ( 2714 PWs) bands (ev): -44.8893 -44.8893 -21.6876 -21.6876 -21.1191 -21.1191 -20.8700 -20.8700 -13.7589 -13.7589 -9.5180 -9.5180 -6.2777 -6.2777 -5.5036 -5.5036 0.0640 0.0640 1.4285 1.4285 5.0379 5.0379 5.5171 5.5171 5.5668 5.5668 7.2049 7.2049 7.4981 7.4981 7.8604 7.8604 8.2839 8.2839 8.4283 8.4283 12.2489 12.2489 12.7018 12.7018 13.0510 13.0510 13.9217 13.9217 14.1245 14.1245 14.4213 14.4213 k =-0.2411 0.2403 0.4965 ( 2714 PWs) bands (ev): -44.8892 -44.8892 -21.6890 -21.6890 -21.1211 -21.1211 -20.8702 -20.8702 -13.7553 -13.7553 -9.4878 -9.4878 -6.2759 -6.2759 -5.5413 -5.5413 0.0425 0.0425 1.3996 1.3996 5.0575 5.0575 5.5928 5.5928 5.6183 5.6183 7.2186 7.2186 7.4264 7.4264 7.8110 7.8110 8.3023 8.3023 8.4459 8.4459 12.1505 12.1505 12.6113 12.6113 13.0375 13.0375 13.9640 13.9640 14.1291 14.1291 14.4766 14.4766 k =-0.2500 0.2492 0.4965 ( 2714 PWs) bands (ev): -44.8891 -44.8891 -21.6904 -21.6904 -21.1231 -21.1231 -20.8704 -20.8704 -13.7517 -13.7517 -9.4573 -9.4573 -6.2740 -6.2740 -5.5789 -5.5789 0.0211 0.0211 1.3709 1.3709 5.0743 5.0743 5.6674 5.6674 5.6761 5.6761 7.2323 7.2323 7.3562 7.3562 7.7636 7.7636 8.3200 8.3200 8.4634 8.4634 12.0491 12.0491 12.5181 12.5181 13.0232 13.0232 14.0062 14.0062 14.1339 14.1339 14.5326 14.5326 k =-0.2589 0.2581 0.4965 ( 2714 PWs) bands (ev): -44.8891 -44.8891 -21.6919 -21.6919 -21.1250 -21.1250 -20.8706 -20.8706 -13.7481 -13.7481 -9.4266 -9.4266 -6.2721 -6.2721 -5.6165 -5.6165 -0.0001 -0.0001 1.3426 1.3426 5.0889 5.0889 5.7303 5.7303 5.7498 5.7498 7.2462 7.2462 7.2878 7.2878 7.7187 7.7187 8.3370 8.3370 8.4807 8.4807 11.9449 11.9449 12.4224 12.4224 13.0079 13.0079 14.0478 14.0478 14.1392 14.1392 14.5887 14.5887 k =-0.2679 0.2670 0.4965 ( 2712 PWs) bands (ev): -44.8890 -44.8890 -21.6933 -21.6933 -21.1270 -21.1270 -20.8708 -20.8708 -13.7445 -13.7445 -9.3957 -9.3957 -6.2702 -6.2702 -5.6538 -5.6538 -0.0212 -0.0212 1.3146 1.3146 5.1014 5.1014 5.7918 5.7918 5.8278 5.8278 7.2217 7.2217 7.2602 7.2602 7.6766 7.6767 8.3531 8.3531 8.4976 8.4976 11.8382 11.8382 12.3243 12.3243 12.9918 12.9918 14.0878 14.0878 14.1461 14.1461 14.6449 14.6449 k =-0.2768 0.2759 0.4965 ( 2712 PWs) bands (ev): -44.8889 -44.8889 -21.6947 -21.6947 -21.1289 -21.1289 -20.8709 -20.8709 -13.7409 -13.7409 -9.3649 -9.3649 -6.2682 -6.2682 -5.6909 -5.6909 -0.0419 -0.0419 1.2871 1.2871 5.1123 5.1123 5.8548 5.8548 5.9060 5.9060 7.1588 7.1588 7.2742 7.2742 7.6381 7.6381 8.3685 8.3685 8.5143 8.5143 11.7290 11.7290 12.2239 12.2239 12.9748 12.9748 14.1218 14.1218 14.1586 14.1586 14.7007 14.7007 k =-0.2857 0.2848 0.4965 ( 2716 PWs) bands (ev): -44.8888 -44.8888 -21.6961 -21.6961 -21.1308 -21.1308 -20.8711 -20.8711 -13.7374 -13.7374 -9.3341 -9.3341 -6.2662 -6.2662 -5.7274 -5.7274 -0.0624 -0.0624 1.2601 1.2601 5.1218 5.1218 5.9185 5.9185 5.9835 5.9835 7.0999 7.0999 7.2881 7.2881 7.6038 7.6038 8.3830 8.3830 8.5306 8.5306 11.6177 11.6177 12.1213 12.1213 12.9570 12.9570 14.1403 14.1403 14.1863 14.1863 14.7560 14.7560 k =-0.2946 0.2937 0.4965 ( 2714 PWs) bands (ev): -44.8888 -44.8888 -21.6975 -21.6975 -21.1327 -21.1327 -20.8713 -20.8713 -13.7338 -13.7338 -9.3034 -9.3034 -6.2642 -6.2642 -5.7635 -5.7635 -0.0824 -0.0824 1.2337 1.2337 5.1301 5.1301 5.9816 5.9816 6.0596 6.0596 7.0462 7.0462 7.3020 7.3020 7.5745 7.5745 8.3967 8.3967 8.5464 8.5464 11.5044 11.5044 12.0166 12.0166 12.9384 12.9384 14.1490 14.1490 14.2233 14.2233 14.8105 14.8105 k =-0.3036 0.3026 0.4965 ( 2714 PWs) bands (ev): -44.8887 -44.8887 -21.6988 -21.6988 -21.1345 -21.1345 -20.8715 -20.8715 -13.7303 -13.7303 -9.2730 -9.2730 -6.2622 -6.2622 -5.7989 -5.7989 -0.1021 -0.1021 1.2079 1.2079 5.1375 5.1375 6.0424 6.0424 6.1332 6.1332 6.9991 6.9991 7.3158 7.3158 7.5510 7.5510 8.4097 8.4097 8.5617 8.5617 11.3893 11.3893 11.9098 11.9098 12.9191 12.9191 14.1554 14.1554 14.2619 14.2619 14.8640 14.8640 k =-0.3125 0.3115 0.4965 ( 2718 PWs) bands (ev): -44.8886 -44.8886 -21.7002 -21.7002 -21.1363 -21.1363 -20.8717 -20.8717 -13.7269 -13.7269 -9.2430 -9.2430 -6.2602 -6.2602 -5.8335 -5.8335 -0.1212 -0.1212 1.1829 1.1829 5.1441 5.1441 6.0989 6.0989 6.2034 6.2034 6.9609 6.9609 7.3294 7.3294 7.5346 7.5346 8.4218 8.4218 8.5765 8.5765 11.2725 11.2725 11.8012 11.8012 12.8991 12.8991 14.1612 14.1612 14.3004 14.3004 14.9161 14.9161 k =-0.3214 0.3204 0.4965 ( 2722 PWs) bands (ev): -44.8886 -44.8886 -21.7015 -21.7015 -21.1381 -21.1381 -20.8719 -20.8719 -13.7235 -13.7235 -9.2134 -9.2134 -6.2583 -6.2583 -5.8674 -5.8674 -0.1398 -0.1398 1.1587 1.1587 5.1500 5.1500 6.1483 6.1483 6.2689 6.2689 6.9342 6.9342 7.3428 7.3428 7.5264 7.5264 8.4332 8.4332 8.5907 8.5907 11.1543 11.1543 11.6908 11.6908 12.8785 12.8785 14.1668 14.1668 14.3381 14.3381 14.9663 14.9663 k =-0.3304 0.3293 0.4965 ( 2722 PWs) bands (ev): -44.8885 -44.8885 -21.7028 -21.7028 -21.1398 -21.1398 -20.8720 -20.8720 -13.7203 -13.7203 -9.1844 -9.1844 -6.2563 -6.2563 -5.9003 -5.9003 -0.1578 -0.1578 1.1353 1.1353 5.1554 5.1554 6.1875 6.1875 6.3283 6.3283 6.9222 6.9222 7.3560 7.3560 7.5277 7.5277 8.4439 8.4439 8.6043 8.6043 11.0348 11.0348 11.5787 11.5787 12.8575 12.8575 14.1723 14.1723 14.3748 14.3748 14.9952 14.9952 k =-0.3393 0.3383 0.4965 ( 2710 PWs) bands (ev): -44.8884 -44.8884 -21.7039 -21.7039 -21.1414 -21.1414 -20.8721 -20.8721 -13.7171 -13.7171 -9.1560 -9.1560 -6.2544 -6.2544 -5.9322 -5.9322 -0.1751 -0.1751 1.1128 1.1128 5.1602 5.1602 6.2137 6.2137 6.3806 6.3806 6.9277 6.9277 7.3690 7.3690 7.5398 7.5398 8.4538 8.4538 8.6172 8.6172 10.9142 10.9142 11.4651 11.4651 12.8361 12.8361 14.1778 14.1778 14.4104 14.4104 14.9722 14.9722 k =-0.3482 0.3472 0.4965 ( 2714 PWs) bands (ev): -44.8884 -44.8884 -21.7051 -21.7051 -21.1430 -21.1430 -20.8723 -20.8723 -13.7140 -13.7140 -9.1285 -9.1285 -6.2525 -6.2525 -5.9630 -5.9630 -0.1918 -0.1918 1.0912 1.0912 5.1646 5.1646 6.2256 6.2256 6.4246 6.4246 6.9520 6.9520 7.3816 7.3816 7.5636 7.5636 8.4631 8.4631 8.6295 8.6295 10.7926 10.7926 11.3501 11.3501 12.8146 12.8146 14.1834 14.1834 14.4446 14.4446 14.9476 14.9476 k =-0.3571 0.3561 0.4965 ( 2710 PWs) bands (ev): -44.8883 -44.8883 -21.7062 -21.7062 -21.1445 -21.1445 -20.8724 -20.8724 -13.7110 -13.7110 -9.1017 -9.1017 -6.2507 -6.2507 -5.9925 -5.9925 -0.2078 -0.2078 1.0707 1.0707 5.1686 5.1686 6.2241 6.2241 6.4600 6.4600 6.9941 6.9941 7.3938 7.3938 7.5995 7.5995 8.4717 8.4717 8.6411 8.6411 10.6703 10.6703 11.2338 11.2338 12.7930 12.7930 14.1889 14.1889 14.4774 14.4774 14.9240 14.9240 k =-0.3661 0.3650 0.4965 ( 2706 PWs) bands (ev): -44.8882 -44.8882 -21.7073 -21.7073 -21.1459 -21.1459 -20.8725 -20.8725 -13.7081 -13.7081 -9.0760 -9.0760 -6.2490 -6.2490 -6.0208 -6.0208 -0.2229 -0.2229 1.0511 1.0511 5.1722 5.1722 6.2120 6.2120 6.4866 6.4866 7.0514 7.0514 7.4055 7.4055 7.6475 7.6475 8.4796 8.4796 8.6521 8.6521 10.5474 10.5474 11.1163 11.1163 12.7716 12.7716 14.1943 14.1943 14.5086 14.5086 14.9016 14.9016 k =-0.3750 0.3739 0.4965 ( 2714 PWs) bands (ev): -44.8882 -44.8882 -21.7083 -21.7083 -21.1473 -21.1473 -20.8727 -20.8727 -13.7054 -13.7054 -9.0513 -9.0513 -6.2474 -6.2474 -6.0478 -6.0478 -0.2373 -0.2373 1.0327 1.0327 5.1755 5.1755 6.1923 6.1923 6.5054 6.5054 7.1207 7.1207 7.4168 7.4168 7.7068 7.7068 8.4869 8.4869 8.6623 8.6623 10.4240 10.4240 10.9979 10.9979 12.7504 12.7504 14.1997 14.1997 14.5382 14.5382 14.8807 14.8807 k =-0.3839 0.3828 0.4965 ( 2710 PWs) bands (ev): -44.8881 -44.8881 -21.7092 -21.7092 -21.1486 -21.1486 -20.8728 -20.8728 -13.7029 -13.7029 -9.0278 -9.0278 -6.2458 -6.2458 -6.0732 -6.0732 -0.2508 -0.2508 1.0153 1.0153 5.1785 5.1785 6.1680 6.1680 6.5172 6.5172 7.1991 7.1991 7.4275 7.4275 7.7762 7.7762 8.4936 8.4936 8.6718 8.6719 10.3004 10.3004 10.8786 10.8786 12.7297 12.7297 14.2050 14.2050 14.5661 14.5661 14.8613 14.8613 k =-0.3929 0.3917 0.4965 ( 2714 PWs) bands (ev): -44.8881 -44.8881 -21.7102 -21.7102 -21.1498 -21.1498 -20.8729 -20.8729 -13.7004 -13.7004 -9.0056 -9.0056 -6.2443 -6.2443 -6.0971 -6.0971 -0.2635 -0.2635 0.9991 0.9991 5.1813 5.1813 6.1412 6.1412 6.5233 6.5233 7.2845 7.2845 7.4377 7.4377 7.8545 7.8545 8.4998 8.4998 8.6807 8.6807 10.1768 10.1768 10.7587 10.7587 12.7096 12.7096 14.2101 14.2101 14.5922 14.5922 14.8435 14.8435 k =-0.4018 0.4006 0.4965 ( 2714 PWs) bands (ev): -44.8881 -44.8881 -21.7110 -21.7110 -21.1509 -21.1509 -20.8730 -20.8730 -13.6982 -13.6982 -8.9848 -8.9848 -6.2430 -6.2430 -6.1194 -6.1194 -0.2753 -0.2753 0.9841 0.9841 5.1837 5.1837 6.1135 6.1135 6.5251 6.5251 7.3751 7.3751 7.4473 7.4473 7.9401 7.9401 8.5053 8.5053 8.6888 8.6888 10.0534 10.0534 10.6384 10.6384 12.6903 12.6903 14.2150 14.2150 14.6164 14.6164 14.8271 14.8271 k =-0.4107 0.4095 0.4965 ( 2716 PWs) bands (ev): -44.8880 -44.8880 -21.7118 -21.7118 -21.1520 -21.1520 -20.8731 -20.8731 -13.6961 -13.6961 -8.9654 -8.9654 -6.2418 -6.2418 -6.1399 -6.1399 -0.2861 -0.2861 0.9703 0.9703 5.1860 5.1860 6.0861 6.0861 6.5237 6.5237 7.4550 7.4550 7.4710 7.4710 8.0316 8.0316 8.5103 8.5103 8.6963 8.6963 9.9304 9.9304 10.5180 10.5180 12.6721 12.6721 14.2197 14.2197 14.6387 14.6387 14.8124 14.8124 k =-0.4196 0.4184 0.4965 ( 2716 PWs) bands (ev): -44.8880 -44.8880 -21.7125 -21.7125 -21.1529 -21.1529 -20.8732 -20.8732 -13.6942 -13.6942 -8.9475 -8.9475 -6.2408 -6.2408 -6.1587 -6.1587 -0.2960 -0.2960 0.9577 0.9577 5.1880 5.1880 6.0598 6.0598 6.5201 6.5201 7.4640 7.4640 7.5678 7.5678 8.1280 8.1280 8.5148 8.5148 8.7030 8.7030 9.8082 9.8082 10.3977 10.3977 12.6550 12.6550 14.2240 14.2240 14.6590 14.6590 14.7992 14.7992 k =-0.4286 0.4273 0.4965 ( 2716 PWs) bands (ev): -44.8879 -44.8879 -21.7131 -21.7131 -21.1538 -21.1538 -20.8733 -20.8733 -13.6924 -13.6924 -8.9313 -8.9313 -6.2401 -6.2401 -6.1755 -6.1755 -0.3049 -0.3049 0.9464 0.9464 5.1897 5.1897 6.0352 6.0352 6.5151 6.5151 7.4714 7.4714 7.6675 7.6675 8.2278 8.2278 8.5187 8.5187 8.7090 8.7090 9.6872 9.6872 10.2779 10.2779 12.6392 12.6392 14.2281 14.2281 14.6773 14.6773 14.7875 14.7875 k =-0.4375 0.4362 0.4965 ( 2716 PWs) bands (ev): -44.8879 -44.8879 -21.7137 -21.7137 -21.1545 -21.1545 -20.8733 -20.8733 -13.6909 -13.6909 -8.9168 -8.9168 -6.2396 -6.2396 -6.1902 -6.1902 -0.3128 -0.3128 0.9363 0.9363 5.1913 5.1913 6.0127 6.0127 6.5095 6.5095 7.4780 7.4780 7.7686 7.7686 8.3301 8.3301 8.5222 8.5222 8.7143 8.7143 9.5678 9.5678 10.1592 10.1592 12.6249 12.6249 14.2318 14.2318 14.6934 14.6934 14.7773 14.7773 k =-0.4464 0.4451 0.4965 ( 2712 PWs) bands (ev): -44.8879 -44.8879 -21.7142 -21.7142 -21.1552 -21.1552 -20.8734 -20.8734 -13.6895 -13.6895 -8.9040 -8.9040 -6.2396 -6.2396 -6.2027 -6.2027 -0.3197 -0.3197 0.9276 0.9276 5.1926 5.1926 5.9928 5.9928 6.5038 6.5038 7.4838 7.4838 7.8700 7.8700 8.4335 8.4335 8.5251 8.5251 8.7189 8.7189 9.4509 9.4509 10.0423 10.0423 12.6122 12.6122 14.2351 14.2351 14.7074 14.7074 14.7687 14.7687 k =-0.4554 0.4540 0.4965 ( 2716 PWs) bands (ev): -44.8879 -44.8879 -21.7146 -21.7146 -21.1557 -21.1557 -20.8735 -20.8735 -13.6884 -13.6884 -8.8932 -8.8932 -6.2403 -6.2403 -6.2127 -6.2127 -0.3255 -0.3255 0.9202 0.9202 5.1938 5.1938 5.9755 5.9755 6.4984 6.4984 7.4888 7.4888 7.9705 7.9705 8.5274 8.5274 8.5368 8.5368 8.7228 8.7228 9.3375 9.3375 9.9284 9.9284 12.6013 12.6013 14.2379 14.2379 14.7190 14.7190 14.7616 14.7616 k =-0.4643 0.4629 0.4965 ( 2720 PWs) bands (ev): -44.8878 -44.8878 -21.7150 -21.7150 -21.1562 -21.1562 -20.8735 -20.8735 -13.6874 -13.6874 -8.8842 -8.8842 -6.2420 -6.2420 -6.2197 -6.2197 -0.3303 -0.3303 0.9141 0.9141 5.1947 5.1947 5.9612 5.9612 6.4935 6.4935 7.4929 7.4929 8.0680 8.0680 8.5295 8.5295 8.6369 8.6369 8.7261 8.7261 9.2296 9.2296 9.8193 9.8193 12.5921 12.5921 14.2403 14.2403 14.7282 14.7282 14.7563 14.7563 k =-0.4732 0.4718 0.4965 ( 2724 PWs) bands (ev): -44.8878 -44.8878 -21.7152 -21.7152 -21.1566 -21.1566 -20.8736 -20.8736 -13.6867 -13.6867 -8.8771 -8.8771 -6.2446 -6.2446 -6.2240 -6.2240 -0.3341 -0.3341 0.9093 0.9093 5.1954 5.1954 5.9499 5.9499 6.4895 6.4895 7.4961 7.4961 8.1594 8.1594 8.5309 8.5309 8.7257 8.7257 8.7341 8.7341 9.1304 9.1304 9.7185 9.7185 12.5850 12.5850 14.2421 14.2421 14.7346 14.7346 14.7530 14.7530 k =-0.4821 0.4807 0.4965 ( 2720 PWs) bands (ev): -44.8878 -44.8878 -21.7154 -21.7154 -21.1568 -21.1568 -20.8736 -20.8736 -13.6861 -13.6861 -8.8721 -8.8721 -6.2473 -6.2473 -6.2261 -6.2261 -0.3368 -0.3368 0.9059 0.9059 5.1959 5.1959 5.9418 5.9418 6.4865 6.4865 7.4984 7.4984 8.2388 8.2388 8.5317 8.5317 8.7300 8.7300 8.8134 8.8134 9.0458 9.0458 9.6319 9.6319 12.5798 12.5798 14.2435 14.2435 14.7377 14.7377 14.7521 14.7521 k =-0.4911 0.4896 0.4965 ( 2720 PWs) bands (ev): -44.8878 -44.8878 -21.7155 -21.7155 -21.1569 -21.1569 -20.8737 -20.8737 -13.6858 -13.6858 -8.8690 -8.8690 -6.2494 -6.2494 -6.2271 -6.2271 -0.3384 -0.3384 0.9039 0.9039 5.1962 5.1962 5.9369 5.9369 6.4847 6.4847 7.4997 7.4997 8.2959 8.2959 8.5321 8.5321 8.7311 8.7311 8.8719 8.8719 8.9862 8.9862 9.5700 9.5700 12.5766 12.5766 14.2443 14.2443 14.7384 14.7384 14.7527 14.7527 k =-0.5000 0.4985 0.4965 ( 2728 PWs) bands (ev): -44.8878 -44.8878 -21.7156 -21.7156 -21.1570 -21.1570 -20.8737 -20.8737 -13.6857 -13.6857 -8.8680 -8.8680 -6.2501 -6.2501 -6.2273 -6.2273 -0.3389 -0.3389 0.9032 0.9032 5.1963 5.1963 5.9352 5.9352 6.4841 6.4841 7.5002 7.5002 8.3174 8.3174 8.5321 8.5321 8.7315 8.7315 8.8932 8.8932 8.9647 8.9647 9.5469 9.5469 12.5756 12.5756 14.2446 14.2446 14.7385 14.7385 14.7531 14.7531 Writing output data file BaTiO3.save init_run : 3.55s CPU 13.27s WALL ( 1 calls) electrons : 616.91s CPU 623.99s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.31s CPU 1.50s WALL ( 1 calls) Called by electrons: c_bands : 616.85s CPU 623.75s WALL ( 1 calls) v_of_rho : 0.15s CPU 0.98s WALL ( 1 calls) v_h : 0.07s CPU 0.10s WALL ( 1 calls) v_xc : 0.08s CPU 0.60s WALL ( 1 calls) newd : 0.49s CPU 0.55s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.14s WALL ( 478 calls) cegterg : 573.24s CPU 577.60s WALL ( 897 calls) Called by sum_band: Called by *egterg: h_psi : 247.37s CPU 255.23s WALL ( 13501 calls) s_psi : 26.97s CPU 27.44s WALL ( 13501 calls) g_psi : 0.58s CPU 0.63s WALL ( 12126 calls) cdiaghg : 213.61s CPU 211.03s WALL ( 12604 calls) cegterg:over : 57.63s CPU 54.23s WALL ( 12126 calls) cegterg:upda : 8.01s CPU 11.06s WALL ( 12126 calls) cegterg:last : 8.33s CPU 9.44s WALL ( 2871 calls) Called by h_psi: h_psi:vloc : 192.73s CPU 199.38s WALL ( 13501 calls) h_psi:vnl : 54.41s CPU 55.14s WALL ( 13501 calls) add_vuspsi : 15.75s CPU 20.10s WALL ( 13501 calls) General routines calbec : 38.63s CPU 34.90s WALL ( 13501 calls) fft : 0.16s CPU 1.07s WALL ( 19 calls) ffts : 0.00s CPU 0.10s WALL ( 4 calls) fftw : 180.64s CPU 183.35s WALL ( 1629268 calls) interpolate : 0.01s CPU 0.12s WALL ( 4 calls) davcio : 0.04s CPU 1.80s WALL ( 956 calls) Parallel routines fft_scatter : 129.32s CPU 130.53s WALL ( 1629291 calls) PWSCF : 11m22.61s CPU 13m 6.18s WALL This run was terminated on: 20:52:35 9Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=