Program PWSCF v.5.4.0 starts on 11Feb2017 at 6:15:14 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 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: ./CdSiAs2.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 228 63 17 9627 1380 207 Max 229 64 18 9630 1404 211 Sum 8225 2275 643 346615 50159 7535 bravais-lattice index = 14 lattice parameter (alat) = 12.9436 a.u. unit-cell volume = 1271.2195 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.943617 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.631021 celldm(5)= -0.631021 celldm(6)= 0.262042 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.262042 0.965056 0.000000 ) a(3) = ( -0.631021 -0.482528 0.607436 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.271530 0.823131 ) b(2) = ( 0.000000 1.036209 0.823131 ) b(3) = ( 0.000000 0.000000 1.646263 ) PseudoPot. # 1 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 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 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 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 Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cd 12.00 112.41100 Cd( 1.00) As 5.00 74.92160 As( 1.00) Si 4.00 28.08550 Si( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( -0.2500000 ) ( -1 -1 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.1310210 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.4825282 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3037182 ) 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 and the name of the first element: E 1 identity -E -1 identity E s 2 inv. 180 deg rotation - cart. axis [0,0,1] -s -2 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 268 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 2) = ( 0.0000000 0.0000000 0.0216613), wk = 0.0037313 k( 3) = ( 0.0000000 0.0000000 0.0433227), wk = 0.0037313 k( 4) = ( 0.0000000 0.0000000 0.0649841), wk = 0.0037313 k( 5) = ( 0.0000000 0.0000000 0.0866454), wk = 0.0037313 k( 6) = ( 0.0000000 0.0000000 0.1083068), wk = 0.0037313 k( 7) = ( 0.0000000 0.0000000 0.1299681), wk = 0.0037313 k( 8) = ( 0.0000000 0.0000000 0.1516295), wk = 0.0037313 k( 9) = ( 0.0000000 0.0000000 0.1732908), wk = 0.0037313 k( 10) = ( 0.0000000 0.0000000 0.1949522), wk = 0.0037313 k( 11) = ( 0.0000000 0.0000000 0.2166135), wk = 0.0037313 k( 12) = ( 0.0000000 0.0000000 0.2382749), wk = 0.0037313 k( 13) = ( 0.0000000 0.0000000 0.2599362), wk = 0.0037313 k( 14) = ( 0.0000000 0.0000000 0.2815976), wk = 0.0037313 k( 15) = ( 0.0000000 0.0000000 0.3032589), wk = 0.0037313 k( 16) = ( 0.0000000 0.0000000 0.3249203), wk = 0.0037313 k( 17) = ( 0.0000000 0.0000000 0.3465816), wk = 0.0037313 k( 18) = ( 0.0000000 0.0000000 0.3682430), wk = 0.0037313 k( 19) = ( 0.0000000 0.0000000 0.3899044), wk = 0.0037313 k( 20) = ( 0.0000000 0.0000000 0.4115657), wk = 0.0037313 k( 21) = ( 0.0000000 0.0000000 0.4332270), wk = 0.0037313 k( 22) = ( 0.0000000 0.0000000 0.4548884), wk = 0.0037313 k( 23) = ( 0.0000000 0.0000000 0.4765497), wk = 0.0037313 k( 24) = ( 0.0000000 0.0000000 0.4982111), wk = 0.0037313 k( 25) = ( 0.0000000 0.0000000 0.5198725), wk = 0.0037313 k( 26) = ( 0.0000000 0.0000000 0.5415338), wk = 0.0037313 k( 27) = ( 0.0000000 0.0000000 0.5631952), wk = 0.0037313 k( 28) = ( 0.0000000 0.0000000 0.5848565), wk = 0.0037313 k( 29) = ( 0.0000000 0.0000000 0.6065179), wk = 0.0037313 k( 30) = ( 0.0000000 0.0000000 0.6281792), wk = 0.0037313 k( 31) = ( 0.0000000 0.0000000 0.6498406), wk = 0.0037313 k( 32) = ( 0.0000000 0.0000000 0.6715019), wk = 0.0037313 k( 33) = ( 0.0000000 0.0000000 0.6931633), wk = 0.0037313 k( 34) = ( 0.0000000 0.0000000 0.7148246), wk = 0.0037313 k( 35) = ( 0.0000000 0.0000000 0.7364860), wk = 0.0037313 k( 36) = ( 0.0000000 0.0000000 0.7581473), wk = 0.0037313 k( 37) = ( 0.0000000 0.0000000 0.7798087), wk = 0.0037313 k( 38) = ( 0.0000000 0.0000000 0.8014700), wk = 0.0037313 k( 39) = ( 0.0000000 0.0000000 0.8231314), wk = 0.0037313 k( 40) = ( 0.0000000 0.0000000 0.8231314), wk = 0.0037313 k( 41) = ( -0.0121820 0.0159308 0.8231314), wk = 0.0037313 k( 42) = ( -0.0243639 0.0318616 0.8231314), wk = 0.0037313 k( 43) = ( -0.0365458 0.0477924 0.8231314), wk = 0.0037313 k( 44) = ( -0.0487278 0.0637232 0.8231314), wk = 0.0037313 k( 45) = ( -0.0609097 0.0796540 0.8231314), wk = 0.0037313 k( 46) = ( -0.0730917 0.0955848 0.8231314), wk = 0.0037313 k( 47) = ( -0.0852736 0.1115156 0.8231314), wk = 0.0037313 k( 48) = ( -0.0974556 0.1274464 0.8231314), wk = 0.0037313 k( 49) = ( -0.1096375 0.1433772 0.8231314), wk = 0.0037313 k( 50) = ( -0.1218194 0.1593080 0.8231314), wk = 0.0037313 k( 51) = ( -0.1340014 0.1752389 0.8231314), wk = 0.0037313 k( 52) = ( -0.1461833 0.1911696 0.8231314), wk = 0.0037313 k( 53) = ( -0.1461833 0.1911696 0.8231314), wk = 0.0037313 k( 54) = ( -0.1554943 0.2033460 0.8078031), wk = 0.0037313 k( 55) = ( -0.1648053 0.2155223 0.7924748), wk = 0.0037313 k( 56) = ( -0.1741162 0.2276986 0.7771465), wk = 0.0037313 k( 57) = ( -0.1834272 0.2398749 0.7618182), wk = 0.0037313 k( 58) = ( -0.1927382 0.2520512 0.7464899), wk = 0.0037313 k( 59) = ( -0.2020491 0.2642275 0.7311616), wk = 0.0037313 k( 60) = ( -0.2113601 0.2764038 0.7158333), wk = 0.0037313 k( 61) = ( -0.2206711 0.2885801 0.7005050), wk = 0.0037313 k( 62) = ( -0.2299820 0.3007564 0.6851767), wk = 0.0037313 k( 63) = ( -0.2392930 0.3129328 0.6698484), wk = 0.0037313 k( 64) = ( -0.2486039 0.3251091 0.6545202), wk = 0.0037313 k( 65) = ( -0.2579149 0.3372854 0.6391919), wk = 0.0037313 k( 66) = ( -0.2672259 0.3494617 0.6238636), wk = 0.0037313 k( 67) = ( -0.2765369 0.3616380 0.6085353), wk = 0.0037313 k( 68) = ( -0.2858478 0.3738143 0.5932070), wk = 0.0037313 k( 69) = ( -0.2951588 0.3859906 0.5778787), wk = 0.0037313 k( 70) = ( -0.3044697 0.3981669 0.5625504), wk = 0.0037313 k( 71) = ( -0.3137807 0.4103433 0.5472221), wk = 0.0037313 k( 72) = ( -0.3230917 0.4225196 0.5318938), wk = 0.0037313 k( 73) = ( -0.3230917 0.4225196 0.5318938), wk = 0.0037313 k( 74) = ( -0.3138605 0.4104476 0.5166968), wk = 0.0037313 k( 75) = ( -0.3046293 0.3983756 0.5014999), wk = 0.0037313 k( 76) = ( -0.2953981 0.3863036 0.4863029), wk = 0.0037313 k( 77) = ( -0.2861669 0.3742316 0.4711059), wk = 0.0037313 k( 78) = ( -0.2769357 0.3621596 0.4559090), wk = 0.0037313 k( 79) = ( -0.2677045 0.3500876 0.4407120), wk = 0.0037313 k( 80) = ( -0.2584733 0.3380157 0.4255150), wk = 0.0037313 k( 81) = ( -0.2492421 0.3259437 0.4103181), wk = 0.0037313 k( 82) = ( -0.2400110 0.3138717 0.3951211), wk = 0.0037313 k( 83) = ( -0.2307798 0.3017997 0.3799241), wk = 0.0037313 k( 84) = ( -0.2215486 0.2897277 0.3647272), wk = 0.0037313 k( 85) = ( -0.2123174 0.2776557 0.3495302), wk = 0.0037313 k( 86) = ( -0.2030862 0.2655837 0.3343332), wk = 0.0037313 k( 87) = ( -0.1938550 0.2535117 0.3191363), wk = 0.0037313 k( 88) = ( -0.1846238 0.2414397 0.3039393), wk = 0.0037313 k( 89) = ( -0.1753926 0.2293678 0.2887423), wk = 0.0037313 k( 90) = ( -0.1661614 0.2172958 0.2735454), wk = 0.0037313 k( 91) = ( -0.1569302 0.2052238 0.2583484), wk = 0.0037313 k( 92) = ( -0.1476990 0.1931518 0.2431514), wk = 0.0037313 k( 93) = ( -0.1384679 0.1810798 0.2279545), wk = 0.0037313 k( 94) = ( -0.1292367 0.1690078 0.2127575), wk = 0.0037313 k( 95) = ( -0.1200055 0.1569358 0.1975606), wk = 0.0037313 k( 96) = ( -0.1107743 0.1448639 0.1823636), wk = 0.0037313 k( 97) = ( -0.1015431 0.1327919 0.1671666), wk = 0.0037313 k( 98) = ( -0.0923119 0.1207199 0.1519697), wk = 0.0037313 k( 99) = ( -0.0830807 0.1086479 0.1367727), wk = 0.0037313 k( 100) = ( -0.0738495 0.0965759 0.1215757), wk = 0.0037313 k( 101) = ( -0.0646183 0.0845039 0.1063788), wk = 0.0037313 k( 102) = ( -0.0553871 0.0724319 0.0911818), wk = 0.0037313 k( 103) = ( -0.0461560 0.0603599 0.0759848), wk = 0.0037313 k( 104) = ( -0.0369248 0.0482879 0.0607879), wk = 0.0037313 k( 105) = ( -0.0276936 0.0362160 0.0455909), wk = 0.0037313 k( 106) = ( -0.0184624 0.0241440 0.0303939), wk = 0.0037313 k( 107) = ( -0.0092312 0.0120720 0.0151970), wk = 0.0037313 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 110) = ( 0.0172414 0.0131841 -0.0000000), wk = 0.0037313 k( 111) = ( 0.0344828 0.0263682 -0.0000000), wk = 0.0037313 k( 112) = ( 0.0517241 0.0395523 -0.0000000), wk = 0.0037313 k( 113) = ( 0.0689655 0.0527365 -0.0000000), wk = 0.0037313 k( 114) = ( 0.0862069 0.0659206 -0.0000000), wk = 0.0037313 k( 115) = ( 0.1034483 0.0791047 -0.0000000), wk = 0.0037313 k( 116) = ( 0.1206897 0.0922888 -0.0000000), wk = 0.0037313 k( 117) = ( 0.1379310 0.1054729 -0.0000000), wk = 0.0037313 k( 118) = ( 0.1551724 0.1186570 -0.0000000), wk = 0.0037313 k( 119) = ( 0.1724138 0.1318411 -0.0000000), wk = 0.0037313 k( 120) = ( 0.1896552 0.1450253 -0.0000000), wk = 0.0037313 k( 121) = ( 0.2068966 0.1582094 -0.0000000), wk = 0.0037313 k( 122) = ( 0.2241379 0.1713935 -0.0000000), wk = 0.0037313 k( 123) = ( 0.2413793 0.1845776 -0.0000000), wk = 0.0037313 k( 124) = ( 0.2586207 0.1977617 -0.0000000), wk = 0.0037313 k( 125) = ( 0.2758621 0.2109458 -0.0000000), wk = 0.0037313 k( 126) = ( 0.2931034 0.2241299 -0.0000000), wk = 0.0037313 k( 127) = ( 0.3103448 0.2373141 -0.0000000), wk = 0.0037313 k( 128) = ( 0.3275862 0.2504982 -0.0000000), wk = 0.0037313 k( 129) = ( 0.3448276 0.2636823 -0.0000000), wk = 0.0037313 k( 130) = ( 0.3620690 0.2768664 -0.0000000), wk = 0.0037313 k( 131) = ( 0.3793103 0.2900505 -0.0000000), wk = 0.0037313 k( 132) = ( 0.3965517 0.3032346 -0.0000000), wk = 0.0037313 k( 133) = ( 0.4137931 0.3164187 -0.0000000), wk = 0.0037313 k( 134) = ( 0.4310345 0.3296028 -0.0000000), wk = 0.0037313 k( 135) = ( 0.4482759 0.3427870 -0.0000000), wk = 0.0037313 k( 136) = ( 0.4655172 0.3559711 -0.0000000), wk = 0.0037313 k( 137) = ( 0.4827586 0.3691552 -0.0000000), wk = 0.0037313 k( 138) = ( 0.5000000 0.3823393 -0.0000000), wk = 0.0037313 k( 139) = ( 0.5000000 0.3823393 -0.0000000), wk = 0.0037313 k( 140) = ( 0.4906890 0.3945156 0.0153283), wk = 0.0037313 k( 141) = ( 0.4813781 0.4066919 0.0306566), wk = 0.0037313 k( 142) = ( 0.4720671 0.4188682 0.0459849), wk = 0.0037313 k( 143) = ( 0.4627561 0.4310445 0.0613132), wk = 0.0037313 k( 144) = ( 0.4534452 0.4432209 0.0766415), wk = 0.0037313 k( 145) = ( 0.4441342 0.4553972 0.0919698), wk = 0.0037313 k( 146) = ( 0.4348232 0.4675735 0.1072981), wk = 0.0037313 k( 147) = ( 0.4255123 0.4797498 0.1226264), wk = 0.0037313 k( 148) = ( 0.4162013 0.4919261 0.1379546), wk = 0.0037313 k( 149) = ( 0.4068904 0.5041024 0.1532830), wk = 0.0037313 k( 150) = ( 0.3975794 0.5162787 0.1686112), wk = 0.0037313 k( 151) = ( 0.3882684 0.5284550 0.1839395), wk = 0.0037313 k( 152) = ( 0.3789575 0.5406313 0.1992678), wk = 0.0037313 k( 153) = ( 0.3696465 0.5528077 0.2145961), wk = 0.0037313 k( 154) = ( 0.3603355 0.5649840 0.2299244), wk = 0.0037313 k( 155) = ( 0.3510246 0.5771603 0.2452527), wk = 0.0037313 k( 156) = ( 0.3417136 0.5893366 0.2605810), wk = 0.0037313 k( 157) = ( 0.3324026 0.6015129 0.2759093), wk = 0.0037313 k( 158) = ( 0.3230917 0.6136892 0.2912376), wk = 0.0037313 k( 159) = ( 0.3230917 0.6136892 0.2912376), wk = 0.0037313 k( 160) = ( 0.3040863 0.6080666 0.2983157), wk = 0.0037313 k( 161) = ( 0.2850809 0.6024439 0.3053938), wk = 0.0037313 k( 162) = ( 0.2660755 0.5968213 0.3124720), wk = 0.0037313 k( 163) = ( 0.2470701 0.5911987 0.3195501), wk = 0.0037313 k( 164) = ( 0.2280647 0.5855760 0.3266282), wk = 0.0037313 k( 165) = ( 0.2090593 0.5799534 0.3337063), wk = 0.0037313 k( 166) = ( 0.1900539 0.5743308 0.3407845), wk = 0.0037313 k( 167) = ( 0.1710485 0.5687081 0.3478626), wk = 0.0037313 k( 168) = ( 0.1520431 0.5630855 0.3549407), wk = 0.0037313 k( 169) = ( 0.1330378 0.5574629 0.3620188), wk = 0.0037313 k( 170) = ( 0.1140324 0.5518402 0.3690970), wk = 0.0037313 k( 171) = ( 0.0950270 0.5462176 0.3761751), wk = 0.0037313 k( 172) = ( 0.0760216 0.5405949 0.3832532), wk = 0.0037313 k( 173) = ( 0.0570162 0.5349723 0.3903313), wk = 0.0037313 k( 174) = ( 0.0380108 0.5293497 0.3974095), wk = 0.0037313 k( 175) = ( 0.0190054 0.5237270 0.4044876), wk = 0.0037313 k( 176) = ( 0.0000000 0.5181044 0.4115657), wk = 0.0037313 k( 177) = ( 0.0000000 0.5181044 0.4115657), wk = 0.0037313 k( 178) = ( 0.0092593 0.5059957 0.4268089), wk = 0.0037313 k( 179) = ( 0.0185185 0.4938870 0.4420520), wk = 0.0037313 k( 180) = ( 0.0277778 0.4817783 0.4572952), wk = 0.0037313 k( 181) = ( 0.0370370 0.4696696 0.4725384), wk = 0.0037313 k( 182) = ( 0.0462963 0.4575609 0.4877816), wk = 0.0037313 k( 183) = ( 0.0555556 0.4454522 0.5030247), wk = 0.0037313 k( 184) = ( 0.0648148 0.4333435 0.5182679), wk = 0.0037313 k( 185) = ( 0.0740741 0.4212348 0.5335111), wk = 0.0037313 k( 186) = ( 0.0833333 0.4091261 0.5487543), wk = 0.0037313 k( 187) = ( 0.0925926 0.3970175 0.5639974), wk = 0.0037313 k( 188) = ( 0.1018518 0.3849088 0.5792406), wk = 0.0037313 k( 189) = ( 0.1111111 0.3728001 0.5944838), wk = 0.0037313 k( 190) = ( 0.1203704 0.3606914 0.6097270), wk = 0.0037313 k( 191) = ( 0.1296296 0.3485827 0.6249701), wk = 0.0037313 k( 192) = ( 0.1388889 0.3364740 0.6402133), wk = 0.0037313 k( 193) = ( 0.1481482 0.3243653 0.6554565), wk = 0.0037313 k( 194) = ( 0.1574074 0.3122566 0.6706997), wk = 0.0037313 k( 195) = ( 0.1666667 0.3001479 0.6859428), wk = 0.0037313 k( 196) = ( 0.1759259 0.2880392 0.7011860), wk = 0.0037313 k( 197) = ( 0.1851852 0.2759305 0.7164292), wk = 0.0037313 k( 198) = ( 0.1944444 0.2638218 0.7316723), wk = 0.0037313 k( 199) = ( 0.2037037 0.2517131 0.7469155), wk = 0.0037313 k( 200) = ( 0.2129630 0.2396044 0.7621587), wk = 0.0037313 k( 201) = ( 0.2222222 0.2274957 0.7774019), wk = 0.0037313 k( 202) = ( 0.2314815 0.2153870 0.7926450), wk = 0.0037313 k( 203) = ( 0.2407407 0.2032783 0.8078882), wk = 0.0037313 k( 204) = ( 0.2500000 0.1911697 0.8231314), wk = 0.0037313 k( 205) = ( 0.2500000 0.1911697 0.8231314), wk = 0.0037313 k( 206) = ( 0.2631579 0.2012312 0.8104653), wk = 0.0037313 k( 207) = ( 0.2763158 0.2112928 0.7977992), wk = 0.0037313 k( 208) = ( 0.2894737 0.2213543 0.7851330), wk = 0.0037313 k( 209) = ( 0.3026316 0.2314159 0.7724669), wk = 0.0037313 k( 210) = ( 0.3157895 0.2414775 0.7598008), wk = 0.0037313 k( 211) = ( 0.3289474 0.2515390 0.7471347), wk = 0.0037313 k( 212) = ( 0.3421053 0.2616006 0.7344686), wk = 0.0037313 k( 213) = ( 0.3552632 0.2716621 0.7218025), wk = 0.0037313 k( 214) = ( 0.3684211 0.2817237 0.7091364), wk = 0.0037313 k( 215) = ( 0.3815789 0.2917853 0.6964702), wk = 0.0037313 k( 216) = ( 0.3947368 0.3018468 0.6838041), wk = 0.0037313 k( 217) = ( 0.4078947 0.3119084 0.6711380), wk = 0.0037313 k( 218) = ( 0.4210526 0.3219699 0.6584719), wk = 0.0037313 k( 219) = ( 0.4342105 0.3320315 0.6458058), wk = 0.0037313 k( 220) = ( 0.4473684 0.3420931 0.6331397), wk = 0.0037313 k( 221) = ( 0.4605263 0.3521546 0.6204735), wk = 0.0037313 k( 222) = ( 0.4736842 0.3622162 0.6078074), wk = 0.0037313 k( 223) = ( 0.4868421 0.3722777 0.5951413), wk = 0.0037313 k( 224) = ( 0.5000000 0.3823393 0.5824752), wk = 0.0037313 k( 225) = ( 0.5000000 0.3823393 0.5824752), wk = 0.0037313 k( 226) = ( 0.5000000 0.3823393 0.5609020), wk = 0.0037313 k( 227) = ( 0.5000000 0.3823393 0.5393289), wk = 0.0037313 k( 228) = ( 0.5000000 0.3823393 0.5177557), wk = 0.0037313 k( 229) = ( 0.5000000 0.3823393 0.4961826), wk = 0.0037313 k( 230) = ( 0.5000000 0.3823393 0.4746094), wk = 0.0037313 k( 231) = ( 0.5000000 0.3823393 0.4530363), wk = 0.0037313 k( 232) = ( 0.5000000 0.3823393 0.4314631), wk = 0.0037313 k( 233) = ( 0.5000000 0.3823393 0.4098899), wk = 0.0037313 k( 234) = ( 0.5000000 0.3823393 0.3883168), wk = 0.0037313 k( 235) = ( 0.5000000 0.3823393 0.3667436), wk = 0.0037313 k( 236) = ( 0.5000000 0.3823393 0.3451705), wk = 0.0037313 k( 237) = ( 0.5000000 0.3823393 0.3235973), wk = 0.0037313 k( 238) = ( 0.5000000 0.3823393 0.3020242), wk = 0.0037313 k( 239) = ( 0.5000000 0.3823393 0.2804510), wk = 0.0037313 k( 240) = ( 0.5000000 0.3823393 0.2588779), wk = 0.0037313 k( 241) = ( 0.5000000 0.3823393 0.2373047), wk = 0.0037313 k( 242) = ( 0.5000000 0.3823393 0.2157316), wk = 0.0037313 k( 243) = ( 0.5000000 0.3823393 0.1941584), wk = 0.0037313 k( 244) = ( 0.5000000 0.3823393 0.1725853), wk = 0.0037313 k( 245) = ( 0.5000000 0.3823393 0.1510121), wk = 0.0037313 k( 246) = ( 0.5000000 0.3823393 0.1294389), wk = 0.0037313 k( 247) = ( 0.5000000 0.3823393 0.1078658), wk = 0.0037313 k( 248) = ( 0.5000000 0.3823393 0.0862926), wk = 0.0037313 k( 249) = ( 0.5000000 0.3823393 0.0647195), wk = 0.0037313 k( 250) = ( 0.5000000 0.3823393 0.0431463), wk = 0.0037313 k( 251) = ( 0.5000000 0.3823393 0.0215732), wk = 0.0037313 k( 252) = ( 0.5000000 0.3823393 -0.0000000), wk = 0.0037313 k( 253) = ( 0.0000000 0.0000000 0.8231314), wk = 0.0037313 k( 254) = ( 0.0166667 0.0127446 0.8231314), wk = 0.0037313 k( 255) = ( 0.0333333 0.0254893 0.8231314), wk = 0.0037313 k( 256) = ( 0.0500000 0.0382339 0.8231314), wk = 0.0037313 k( 257) = ( 0.0666667 0.0509786 0.8231314), wk = 0.0037313 k( 258) = ( 0.0833333 0.0637232 0.8231314), wk = 0.0037313 k( 259) = ( 0.1000000 0.0764679 0.8231314), wk = 0.0037313 k( 260) = ( 0.1166667 0.0892125 0.8231314), wk = 0.0037313 k( 261) = ( 0.1333333 0.1019571 0.8231314), wk = 0.0037313 k( 262) = ( 0.1500000 0.1147018 0.8231314), wk = 0.0037313 k( 263) = ( 0.1666667 0.1274464 0.8231314), wk = 0.0037313 k( 264) = ( 0.1833333 0.1401911 0.8231314), wk = 0.0037313 k( 265) = ( 0.2000000 0.1529357 0.8231314), wk = 0.0037313 k( 266) = ( 0.2166667 0.1656804 0.8231314), wk = 0.0037313 k( 267) = ( 0.2333333 0.1784250 0.8231314), wk = 0.0037313 k( 268) = ( 0.2500000 0.1911697 0.8231314), wk = 0.0037313 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 2) = ( 0.0000000 0.0000000 0.0131579), wk = 0.0037313 k( 3) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0037313 k( 4) = ( 0.0000000 0.0000000 0.0394737), wk = 0.0037313 k( 5) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0037313 k( 6) = ( 0.0000000 0.0000000 0.0657895), wk = 0.0037313 k( 7) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0037313 k( 8) = ( 0.0000000 0.0000000 0.0921053), wk = 0.0037313 k( 9) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0037313 k( 10) = ( 0.0000000 0.0000000 0.1184210), wk = 0.0037313 k( 11) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0037313 k( 12) = ( 0.0000000 0.0000000 0.1447368), wk = 0.0037313 k( 13) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0037313 k( 14) = ( 0.0000000 0.0000000 0.1710526), wk = 0.0037313 k( 15) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0037313 k( 16) = ( 0.0000000 0.0000000 0.1973684), wk = 0.0037313 k( 17) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0037313 k( 18) = ( 0.0000000 0.0000000 0.2236842), wk = 0.0037313 k( 19) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0037313 k( 20) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0037313 k( 21) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0037313 k( 22) = ( 0.0000000 0.0000000 0.2763158), wk = 0.0037313 k( 23) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0037313 k( 24) = ( 0.0000000 0.0000000 0.3026316), wk = 0.0037313 k( 25) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0037313 k( 26) = ( 0.0000000 0.0000000 0.3289474), wk = 0.0037313 k( 27) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0037313 k( 28) = ( 0.0000000 0.0000000 0.3552632), wk = 0.0037313 k( 29) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0037313 k( 30) = ( 0.0000000 0.0000000 0.3815789), wk = 0.0037313 k( 31) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0037313 k( 32) = ( 0.0000000 0.0000000 0.4078947), wk = 0.0037313 k( 33) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0037313 k( 34) = ( 0.0000000 0.0000000 0.4342105), wk = 0.0037313 k( 35) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0037313 k( 36) = ( 0.0000000 0.0000000 0.4605263), wk = 0.0037313 k( 37) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0037313 k( 38) = ( 0.0000000 0.0000000 0.4868421), wk = 0.0037313 k( 39) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037313 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037313 k( 41) = ( -0.0121820 0.0121820 0.5000000), wk = 0.0037313 k( 42) = ( -0.0243639 0.0243639 0.5000000), wk = 0.0037313 k( 43) = ( -0.0365458 0.0365458 0.5000000), wk = 0.0037313 k( 44) = ( -0.0487278 0.0487278 0.5000000), wk = 0.0037313 k( 45) = ( -0.0609097 0.0609097 0.5000000), wk = 0.0037313 k( 46) = ( -0.0730917 0.0730917 0.5000000), wk = 0.0037313 k( 47) = ( -0.0852736 0.0852736 0.5000000), wk = 0.0037313 k( 48) = ( -0.0974556 0.0974556 0.5000000), wk = 0.0037313 k( 49) = ( -0.1096375 0.1096375 0.5000000), wk = 0.0037313 k( 50) = ( -0.1218194 0.1218195 0.5000000), wk = 0.0037313 k( 51) = ( -0.1340014 0.1340014 0.5000000), wk = 0.0037313 k( 52) = ( -0.1461833 0.1461833 0.5000000), wk = 0.0037313 k( 53) = ( -0.1461833 0.1461833 0.5000000), wk = 0.0037313 k( 54) = ( -0.1554943 0.1554943 0.4906890), wk = 0.0037313 k( 55) = ( -0.1648053 0.1648053 0.4813781), wk = 0.0037313 k( 56) = ( -0.1741162 0.1741162 0.4720671), wk = 0.0037313 k( 57) = ( -0.1834272 0.1834272 0.4627561), wk = 0.0037313 k( 58) = ( -0.1927382 0.1927382 0.4534452), wk = 0.0037313 k( 59) = ( -0.2020491 0.2020491 0.4441342), wk = 0.0037313 k( 60) = ( -0.2113601 0.2113601 0.4348232), wk = 0.0037313 k( 61) = ( -0.2206711 0.2206711 0.4255123), wk = 0.0037313 k( 62) = ( -0.2299820 0.2299820 0.4162013), wk = 0.0037313 k( 63) = ( -0.2392930 0.2392930 0.4068904), wk = 0.0037313 k( 64) = ( -0.2486039 0.2486040 0.3975794), wk = 0.0037313 k( 65) = ( -0.2579149 0.2579149 0.3882684), wk = 0.0037313 k( 66) = ( -0.2672259 0.2672259 0.3789575), wk = 0.0037313 k( 67) = ( -0.2765369 0.2765369 0.3696465), wk = 0.0037313 k( 68) = ( -0.2858478 0.2858478 0.3603355), wk = 0.0037313 k( 69) = ( -0.2951588 0.2951588 0.3510246), wk = 0.0037313 k( 70) = ( -0.3044697 0.3044697 0.3417136), wk = 0.0037313 k( 71) = ( -0.3137807 0.3137807 0.3324026), wk = 0.0037313 k( 72) = ( -0.3230917 0.3230917 0.3230917), wk = 0.0037313 k( 73) = ( -0.3230917 0.3230917 0.3230917), wk = 0.0037313 k( 74) = ( -0.3138605 0.3138605 0.3138605), wk = 0.0037313 k( 75) = ( -0.3046293 0.3046293 0.3046293), wk = 0.0037313 k( 76) = ( -0.2953981 0.2953981 0.2953981), wk = 0.0037313 k( 77) = ( -0.2861669 0.2861669 0.2861669), wk = 0.0037313 k( 78) = ( -0.2769357 0.2769357 0.2769357), wk = 0.0037313 k( 79) = ( -0.2677045 0.2677045 0.2677045), wk = 0.0037313 k( 80) = ( -0.2584733 0.2584733 0.2584733), wk = 0.0037313 k( 81) = ( -0.2492421 0.2492421 0.2492421), wk = 0.0037313 k( 82) = ( -0.2400110 0.2400110 0.2400110), wk = 0.0037313 k( 83) = ( -0.2307798 0.2307798 0.2307798), wk = 0.0037313 k( 84) = ( -0.2215486 0.2215486 0.2215486), wk = 0.0037313 k( 85) = ( -0.2123174 0.2123174 0.2123174), wk = 0.0037313 k( 86) = ( -0.2030862 0.2030862 0.2030862), wk = 0.0037313 k( 87) = ( -0.1938550 0.1938550 0.1938550), wk = 0.0037313 k( 88) = ( -0.1846238 0.1846238 0.1846238), wk = 0.0037313 k( 89) = ( -0.1753926 0.1753926 0.1753926), wk = 0.0037313 k( 90) = ( -0.1661614 0.1661614 0.1661614), wk = 0.0037313 k( 91) = ( -0.1569302 0.1569302 0.1569302), wk = 0.0037313 k( 92) = ( -0.1476990 0.1476991 0.1476990), wk = 0.0037313 k( 93) = ( -0.1384679 0.1384679 0.1384679), wk = 0.0037313 k( 94) = ( -0.1292367 0.1292367 0.1292367), wk = 0.0037313 k( 95) = ( -0.1200055 0.1200055 0.1200055), wk = 0.0037313 k( 96) = ( -0.1107743 0.1107743 0.1107743), wk = 0.0037313 k( 97) = ( -0.1015431 0.1015431 0.1015431), wk = 0.0037313 k( 98) = ( -0.0923119 0.0923119 0.0923119), wk = 0.0037313 k( 99) = ( -0.0830807 0.0830807 0.0830807), wk = 0.0037313 k( 100) = ( -0.0738495 0.0738495 0.0738495), wk = 0.0037313 k( 101) = ( -0.0646183 0.0646183 0.0646183), wk = 0.0037313 k( 102) = ( -0.0553871 0.0553871 0.0553871), wk = 0.0037313 k( 103) = ( -0.0461560 0.0461560 0.0461560), wk = 0.0037313 k( 104) = ( -0.0369248 0.0369248 0.0369248), wk = 0.0037313 k( 105) = ( -0.0276936 0.0276936 0.0276936), wk = 0.0037313 k( 106) = ( -0.0184624 0.0184624 0.0184624), wk = 0.0037313 k( 107) = ( -0.0092312 0.0092312 0.0092312), wk = 0.0037313 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 110) = ( 0.0172414 0.0172414 -0.0172414), wk = 0.0037313 k( 111) = ( 0.0344828 0.0344828 -0.0344828), wk = 0.0037313 k( 112) = ( 0.0517241 0.0517241 -0.0517241), wk = 0.0037313 k( 113) = ( 0.0689655 0.0689655 -0.0689655), wk = 0.0037313 k( 114) = ( 0.0862069 0.0862069 -0.0862069), wk = 0.0037313 k( 115) = ( 0.1034483 0.1034483 -0.1034483), wk = 0.0037313 k( 116) = ( 0.1206897 0.1206897 -0.1206897), wk = 0.0037313 k( 117) = ( 0.1379310 0.1379310 -0.1379310), wk = 0.0037313 k( 118) = ( 0.1551724 0.1551724 -0.1551724), wk = 0.0037313 k( 119) = ( 0.1724138 0.1724138 -0.1724138), wk = 0.0037313 k( 120) = ( 0.1896552 0.1896552 -0.1896552), wk = 0.0037313 k( 121) = ( 0.2068966 0.2068966 -0.2068966), wk = 0.0037313 k( 122) = ( 0.2241379 0.2241379 -0.2241379), wk = 0.0037313 k( 123) = ( 0.2413793 0.2413793 -0.2413793), wk = 0.0037313 k( 124) = ( 0.2586207 0.2586207 -0.2586207), wk = 0.0037313 k( 125) = ( 0.2758621 0.2758621 -0.2758621), wk = 0.0037313 k( 126) = ( 0.2931034 0.2931034 -0.2931034), wk = 0.0037313 k( 127) = ( 0.3103448 0.3103448 -0.3103448), wk = 0.0037313 k( 128) = ( 0.3275862 0.3275862 -0.3275862), wk = 0.0037313 k( 129) = ( 0.3448276 0.3448276 -0.3448276), wk = 0.0037313 k( 130) = ( 0.3620690 0.3620690 -0.3620690), wk = 0.0037313 k( 131) = ( 0.3793103 0.3793103 -0.3793103), wk = 0.0037313 k( 132) = ( 0.3965517 0.3965517 -0.3965517), wk = 0.0037313 k( 133) = ( 0.4137931 0.4137931 -0.4137931), wk = 0.0037313 k( 134) = ( 0.4310345 0.4310345 -0.4310345), wk = 0.0037313 k( 135) = ( 0.4482759 0.4482759 -0.4482759), wk = 0.0037313 k( 136) = ( 0.4655172 0.4655172 -0.4655172), wk = 0.0037313 k( 137) = ( 0.4827586 0.4827586 -0.4827586), wk = 0.0037313 k( 138) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0037313 k( 139) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0037313 k( 140) = ( 0.4906890 0.5093110 -0.4906890), wk = 0.0037313 k( 141) = ( 0.4813781 0.5186219 -0.4813781), wk = 0.0037313 k( 142) = ( 0.4720671 0.5279329 -0.4720671), wk = 0.0037313 k( 143) = ( 0.4627561 0.5372439 -0.4627561), wk = 0.0037313 k( 144) = ( 0.4534452 0.5465548 -0.4534452), wk = 0.0037313 k( 145) = ( 0.4441342 0.5558658 -0.4441342), wk = 0.0037313 k( 146) = ( 0.4348232 0.5651768 -0.4348232), wk = 0.0037313 k( 147) = ( 0.4255123 0.5744877 -0.4255123), wk = 0.0037313 k( 148) = ( 0.4162013 0.5837987 -0.4162013), wk = 0.0037313 k( 149) = ( 0.4068904 0.5931097 -0.4068904), wk = 0.0037313 k( 150) = ( 0.3975794 0.6024206 -0.3975794), wk = 0.0037313 k( 151) = ( 0.3882684 0.6117316 -0.3882684), wk = 0.0037313 k( 152) = ( 0.3789575 0.6210425 -0.3789575), wk = 0.0037313 k( 153) = ( 0.3696465 0.6303535 -0.3696465), wk = 0.0037313 k( 154) = ( 0.3603355 0.6396645 -0.3603355), wk = 0.0037313 k( 155) = ( 0.3510246 0.6489754 -0.3510246), wk = 0.0037313 k( 156) = ( 0.3417136 0.6582864 -0.3417136), wk = 0.0037313 k( 157) = ( 0.3324026 0.6675974 -0.3324026), wk = 0.0037313 k( 158) = ( 0.3230917 0.6769083 -0.3230917), wk = 0.0037313 k( 159) = ( 0.3230917 0.6769083 -0.3230917), wk = 0.0037313 k( 160) = ( 0.3040863 0.6665020 -0.3040863), wk = 0.0037313 k( 161) = ( 0.2850809 0.6560956 -0.2850809), wk = 0.0037313 k( 162) = ( 0.2660755 0.6456892 -0.2660755), wk = 0.0037313 k( 163) = ( 0.2470701 0.6352828 -0.2470701), wk = 0.0037313 k( 164) = ( 0.2280647 0.6248765 -0.2280647), wk = 0.0037313 k( 165) = ( 0.2090593 0.6144701 -0.2090593), wk = 0.0037313 k( 166) = ( 0.1900539 0.6040637 -0.1900539), wk = 0.0037313 k( 167) = ( 0.1710485 0.5936574 -0.1710485), wk = 0.0037313 k( 168) = ( 0.1520431 0.5832510 -0.1520431), wk = 0.0037313 k( 169) = ( 0.1330378 0.5728446 -0.1330378), wk = 0.0037313 k( 170) = ( 0.1140324 0.5624382 -0.1140324), wk = 0.0037313 k( 171) = ( 0.0950270 0.5520319 -0.0950270), wk = 0.0037313 k( 172) = ( 0.0760216 0.5416255 -0.0760216), wk = 0.0037313 k( 173) = ( 0.0570162 0.5312191 -0.0570162), wk = 0.0037313 k( 174) = ( 0.0380108 0.5208127 -0.0380108), wk = 0.0037313 k( 175) = ( 0.0190054 0.5104064 -0.0190054), wk = 0.0037313 k( 176) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037313 k( 177) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037313 k( 178) = ( 0.0092593 0.4907407 0.0092593), wk = 0.0037313 k( 179) = ( 0.0185185 0.4814815 0.0185185), wk = 0.0037313 k( 180) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0037313 k( 181) = ( 0.0370370 0.4629630 0.0370370), wk = 0.0037313 k( 182) = ( 0.0462963 0.4537037 0.0462963), wk = 0.0037313 k( 183) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0037313 k( 184) = ( 0.0648148 0.4351852 0.0648148), wk = 0.0037313 k( 185) = ( 0.0740741 0.4259259 0.0740741), wk = 0.0037313 k( 186) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0037313 k( 187) = ( 0.0925926 0.4074074 0.0925926), wk = 0.0037313 k( 188) = ( 0.1018518 0.3981482 0.1018518), wk = 0.0037313 k( 189) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0037313 k( 190) = ( 0.1203704 0.3796296 0.1203704), wk = 0.0037313 k( 191) = ( 0.1296296 0.3703704 0.1296296), wk = 0.0037313 k( 192) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0037313 k( 193) = ( 0.1481482 0.3518519 0.1481481), wk = 0.0037313 k( 194) = ( 0.1574074 0.3425926 0.1574074), wk = 0.0037313 k( 195) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0037313 k( 196) = ( 0.1759259 0.3240741 0.1759259), wk = 0.0037313 k( 197) = ( 0.1851852 0.3148148 0.1851852), wk = 0.0037313 k( 198) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0037313 k( 199) = ( 0.2037037 0.2962963 0.2037037), wk = 0.0037313 k( 200) = ( 0.2129630 0.2870370 0.2129630), wk = 0.0037313 k( 201) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0037313 k( 202) = ( 0.2314815 0.2685185 0.2314815), wk = 0.0037313 k( 203) = ( 0.2407407 0.2592593 0.2407407), wk = 0.0037313 k( 204) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037313 k( 205) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037313 k( 206) = ( 0.2631579 0.2631579 0.2291483), wk = 0.0037313 k( 207) = ( 0.2763158 0.2763158 0.2082965), wk = 0.0037313 k( 208) = ( 0.2894737 0.2894737 0.1874447), wk = 0.0037313 k( 209) = ( 0.3026316 0.3026316 0.1665930), wk = 0.0037313 k( 210) = ( 0.3157895 0.3157895 0.1457412), wk = 0.0037313 k( 211) = ( 0.3289474 0.3289474 0.1248895), wk = 0.0037313 k( 212) = ( 0.3421053 0.3421053 0.1040377), wk = 0.0037313 k( 213) = ( 0.3552632 0.3552632 0.0831860), wk = 0.0037313 k( 214) = ( 0.3684211 0.3684211 0.0623342), wk = 0.0037313 k( 215) = ( 0.3815789 0.3815790 0.0414825), wk = 0.0037313 k( 216) = ( 0.3947368 0.3947368 0.0206307), wk = 0.0037313 k( 217) = ( 0.4078947 0.4078947 -0.0002211), wk = 0.0037313 k( 218) = ( 0.4210526 0.4210526 -0.0210728), wk = 0.0037313 k( 219) = ( 0.4342105 0.4342105 -0.0419246), wk = 0.0037313 k( 220) = ( 0.4473684 0.4473684 -0.0627763), wk = 0.0037313 k( 221) = ( 0.4605263 0.4605263 -0.0836281), wk = 0.0037313 k( 222) = ( 0.4736842 0.4736842 -0.1044798), wk = 0.0037313 k( 223) = ( 0.4868421 0.4868421 -0.1253316), wk = 0.0037313 k( 224) = ( 0.5000000 0.5000000 -0.1461833), wk = 0.0037313 k( 225) = ( 0.5000000 0.5000000 -0.1461833), wk = 0.0037313 k( 226) = ( 0.5000000 0.5000000 -0.1592877), wk = 0.0037313 k( 227) = ( 0.5000000 0.5000000 -0.1723920), wk = 0.0037313 k( 228) = ( 0.5000000 0.5000000 -0.1854963), wk = 0.0037313 k( 229) = ( 0.5000000 0.5000000 -0.1986006), wk = 0.0037313 k( 230) = ( 0.5000000 0.5000000 -0.2117050), wk = 0.0037313 k( 231) = ( 0.5000000 0.5000000 -0.2248093), wk = 0.0037313 k( 232) = ( 0.5000000 0.5000000 -0.2379136), wk = 0.0037313 k( 233) = ( 0.5000000 0.5000000 -0.2510179), wk = 0.0037313 k( 234) = ( 0.5000000 0.5000000 -0.2641222), wk = 0.0037313 k( 235) = ( 0.5000000 0.5000000 -0.2772266), wk = 0.0037313 k( 236) = ( 0.5000000 0.5000000 -0.2903309), wk = 0.0037313 k( 237) = ( 0.5000000 0.5000000 -0.3034352), wk = 0.0037313 k( 238) = ( 0.5000000 0.5000000 -0.3165395), wk = 0.0037313 k( 239) = ( 0.5000000 0.5000000 -0.3296438), wk = 0.0037313 k( 240) = ( 0.5000000 0.5000000 -0.3427481), wk = 0.0037313 k( 241) = ( 0.5000000 0.5000000 -0.3558525), wk = 0.0037313 k( 242) = ( 0.5000000 0.5000000 -0.3689568), wk = 0.0037313 k( 243) = ( 0.5000000 0.5000000 -0.3820611), wk = 0.0037313 k( 244) = ( 0.5000000 0.5000000 -0.3951654), wk = 0.0037313 k( 245) = ( 0.5000000 0.5000000 -0.4082698), wk = 0.0037313 k( 246) = ( 0.5000000 0.5000000 -0.4213741), wk = 0.0037313 k( 247) = ( 0.5000000 0.5000000 -0.4344784), wk = 0.0037313 k( 248) = ( 0.5000000 0.5000000 -0.4475827), wk = 0.0037313 k( 249) = ( 0.5000000 0.5000000 -0.4606870), wk = 0.0037313 k( 250) = ( 0.5000000 0.5000000 -0.4737914), wk = 0.0037313 k( 251) = ( 0.5000000 0.5000000 -0.4868957), wk = 0.0037313 k( 252) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0037313 k( 253) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037313 k( 254) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0037313 k( 255) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0037313 k( 256) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0037313 k( 257) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0037313 k( 258) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0037313 k( 259) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0037313 k( 260) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0037313 k( 261) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0037313 k( 262) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0037313 k( 263) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0037313 k( 264) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0037313 k( 265) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0037313 k( 266) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0037313 k( 267) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0037313 k( 268) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037313 Dense grid: 346615 G-vectors FFT dimensions: ( 108, 108, 108) Smooth grid: 50159 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.34 Mb ( 364, 62) NL pseudopotentials 0.53 Mb ( 182, 192) Each V/rho on FFT grid 0.53 Mb ( 34992) Each G-vector array 0.07 Mb ( 9628) G-vector shells 0.03 Mb ( 4249) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.38 Mb ( 364, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.36 Mb ( 192, 2, 62) The potential is recalculated from file : ./CdSiAs2.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.7 secs Computing kpt #: 2 total cpu time spent up to now is 5.7 secs Computing kpt #: 3 total cpu time spent up to now is 6.8 secs Computing kpt #: 4 total cpu time spent up to now is 7.9 secs Computing kpt #: 5 total cpu time spent up to now is 9.0 secs Computing kpt #: 6 total cpu time spent up to now is 10.0 secs Computing kpt #: 7 total cpu time spent up to now is 11.1 secs Computing kpt #: 8 total cpu time spent up to now is 12.2 secs Computing kpt #: 9 total cpu time spent up to now is 13.2 secs Computing kpt #: 10 total cpu time spent up to now is 14.3 secs Computing kpt #: 11 total cpu time spent up to now is 15.3 secs Computing kpt #: 12 total cpu time spent up to now is 16.4 secs Computing kpt #: 13 total cpu time spent up to now is 17.5 secs Computing kpt #: 14 total cpu time spent up to now is 18.7 secs Computing kpt #: 15 total cpu time spent up to now is 19.9 secs Computing kpt #: 16 total cpu time spent up to now is 21.1 secs Computing kpt #: 17 total cpu time spent up to now is 22.4 secs Computing kpt #: 18 total cpu time spent up to now is 24.4 secs Computing kpt #: 19 total cpu time spent up to now is 26.8 secs Computing kpt #: 20 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 29.5 secs Computing kpt #: 21 total cpu time spent up to now is 31.4 secs Computing kpt #: 22 total cpu time spent up to now is 33.4 secs Computing kpt #: 23 total cpu time spent up to now is 35.4 secs Computing kpt #: 24 total cpu time spent up to now is 37.1 secs Computing kpt #: 25 total cpu time spent up to now is 38.8 secs Computing kpt #: 26 total cpu time spent up to now is 40.6 secs Computing kpt #: 27 total cpu time spent up to now is 42.2 secs Computing kpt #: 28 total cpu time spent up to now is 43.9 secs Computing kpt #: 29 total cpu time spent up to now is 45.9 secs Computing kpt #: 30 total cpu time spent up to now is 47.8 secs Computing kpt #: 31 total cpu time spent up to now is 49.8 secs Computing kpt #: 32 total cpu time spent up to now is 51.8 secs Computing kpt #: 33 total cpu time spent up to now is 53.9 secs Computing kpt #: 34 total cpu time spent up to now is 56.2 secs Computing kpt #: 35 total cpu time spent up to now is 58.6 secs Computing kpt #: 36 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 61.5 secs Computing kpt #: 37 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 64.3 secs Computing kpt #: 38 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 67.2 secs Computing kpt #: 39 total cpu time spent up to now is 69.9 secs Computing kpt #: 40 total cpu time spent up to now is 71.8 secs Computing kpt #: 41 total cpu time spent up to now is 74.5 secs Computing kpt #: 42 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 77.4 secs Computing kpt #: 43 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 80.2 secs Computing kpt #: 44 total cpu time spent up to now is 82.5 secs Computing kpt #: 45 total cpu time spent up to now is 84.4 secs Computing kpt #: 46 total cpu time spent up to now is 86.3 secs Computing kpt #: 47 total cpu time spent up to now is 88.1 secs Computing kpt #: 48 total cpu time spent up to now is 89.8 secs Computing kpt #: 49 total cpu time spent up to now is 91.5 secs Computing kpt #: 50 total cpu time spent up to now is 93.4 secs Computing kpt #: 51 total cpu time spent up to now is 95.1 secs Computing kpt #: 52 total cpu time spent up to now is 96.7 secs Computing kpt #: 53 total cpu time spent up to now is 98.4 secs Computing kpt #: 54 total cpu time spent up to now is 100.0 secs Computing kpt #: 55 total cpu time spent up to now is 101.5 secs Computing kpt #: 56 total cpu time spent up to now is 102.7 secs Computing kpt #: 57 total cpu time spent up to now is 104.0 secs Computing kpt #: 58 total cpu time spent up to now is 105.3 secs Computing kpt #: 59 total cpu time spent up to now is 106.3 secs Computing kpt #: 60 total cpu time spent up to now is 107.5 secs Computing kpt #: 61 total cpu time spent up to now is 108.7 secs Computing kpt #: 62 total cpu time spent up to now is 109.9 secs Computing kpt #: 63 total cpu time spent up to now is 111.2 secs Computing kpt #: 64 total cpu time spent up to now is 112.5 secs Computing kpt #: 65 total cpu time spent up to now is 113.8 secs Computing kpt #: 66 total cpu time spent up to now is 115.5 secs Computing kpt #: 67 total cpu time spent up to now is 117.8 secs Computing kpt #: 68 total cpu time spent up to now is 120.1 secs Computing kpt #: 69 total cpu time spent up to now is 122.1 secs Computing kpt #: 70 total cpu time spent up to now is 124.8 secs Computing kpt #: 71 total cpu time spent up to now is 127.1 secs Computing kpt #: 72 total cpu time spent up to now is 128.5 secs Computing kpt #: 73 total cpu time spent up to now is 130.4 secs Computing kpt #: 74 total cpu time spent up to now is 131.7 secs Computing kpt #: 75 total cpu time spent up to now is 133.3 secs Computing kpt #: 76 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 136.0 secs Computing kpt #: 77 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 138.9 secs Computing kpt #: 78 total cpu time spent up to now is 140.9 secs Computing kpt #: 79 total cpu time spent up to now is 142.6 secs Computing kpt #: 80 total cpu time spent up to now is 144.2 secs Computing kpt #: 81 total cpu time spent up to now is 145.8 secs Computing kpt #: 82 total cpu time spent up to now is 147.4 secs Computing kpt #: 83 total cpu time spent up to now is 148.9 secs Computing kpt #: 84 total cpu time spent up to now is 150.3 secs Computing kpt #: 85 total cpu time spent up to now is 151.6 secs Computing kpt #: 86 total cpu time spent up to now is 152.9 secs Computing kpt #: 87 total cpu time spent up to now is 154.2 secs Computing kpt #: 88 total cpu time spent up to now is 155.8 secs Computing kpt #: 89 total cpu time spent up to now is 157.8 secs Computing kpt #: 90 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 160.5 secs Computing kpt #: 91 total cpu time spent up to now is 161.7 secs Computing kpt #: 92 total cpu time spent up to now is 162.9 secs Computing kpt #: 93 total cpu time spent up to now is 164.1 secs Computing kpt #: 94 total cpu time spent up to now is 165.3 secs Computing kpt #: 95 total cpu time spent up to now is 166.3 secs Computing kpt #: 96 total cpu time spent up to now is 167.5 secs Computing kpt #: 97 total cpu time spent up to now is 168.5 secs Computing kpt #: 98 total cpu time spent up to now is 169.6 secs Computing kpt #: 99 total cpu time spent up to now is 170.7 secs Computing kpt #: 100 total cpu time spent up to now is 171.8 secs Computing kpt #: 101 total cpu time spent up to now is 172.9 secs Computing kpt #: 102 total cpu time spent up to now is 173.9 secs Computing kpt #: 103 total cpu time spent up to now is 175.0 secs Computing kpt #: 104 total cpu time spent up to now is 176.1 secs Computing kpt #: 105 total cpu time spent up to now is 177.1 secs Computing kpt #: 106 total cpu time spent up to now is 178.1 secs Computing kpt #: 107 total cpu time spent up to now is 179.2 secs Computing kpt #: 108 total cpu time spent up to now is 180.2 secs Computing kpt #: 109 total cpu time spent up to now is 181.2 secs Computing kpt #: 110 total cpu time spent up to now is 182.3 secs Computing kpt #: 111 total cpu time spent up to now is 183.4 secs Computing kpt #: 112 total cpu time spent up to now is 184.4 secs Computing kpt #: 113 total cpu time spent up to now is 185.5 secs Computing kpt #: 114 total cpu time spent up to now is 186.6 secs Computing kpt #: 115 total cpu time spent up to now is 187.8 secs Computing kpt #: 116 total cpu time spent up to now is 189.2 secs Computing kpt #: 117 total cpu time spent up to now is 190.7 secs Computing kpt #: 118 total cpu time spent up to now is 192.3 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 195.1 secs Computing kpt #: 120 total cpu time spent up to now is 197.0 secs Computing kpt #: 121 total cpu time spent up to now is 199.3 secs Computing kpt #: 122 total cpu time spent up to now is 201.1 secs Computing kpt #: 123 total cpu time spent up to now is 202.8 secs Computing kpt #: 124 total cpu time spent up to now is 204.5 secs Computing kpt #: 125 total cpu time spent up to now is 205.8 secs Computing kpt #: 126 total cpu time spent up to now is 207.2 secs Computing kpt #: 127 total cpu time spent up to now is 208.6 secs Computing kpt #: 128 total cpu time spent up to now is 210.1 secs Computing kpt #: 129 total cpu time spent up to now is 211.6 secs Computing kpt #: 130 total cpu time spent up to now is 212.9 secs Computing kpt #: 131 total cpu time spent up to now is 214.3 secs Computing kpt #: 132 total cpu time spent up to now is 215.7 secs Computing kpt #: 133 total cpu time spent up to now is 217.0 secs Computing kpt #: 134 total cpu time spent up to now is 218.4 secs Computing kpt #: 135 total cpu time spent up to now is 219.8 secs Computing kpt #: 136 total cpu time spent up to now is 221.2 secs Computing kpt #: 137 total cpu time spent up to now is 222.6 secs Computing kpt #: 138 total cpu time spent up to now is 224.0 secs Computing kpt #: 139 total cpu time spent up to now is 225.4 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 228.2 secs Computing kpt #: 141 total cpu time spent up to now is 230.6 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 233.5 secs Computing kpt #: 143 total cpu time spent up to now is 236.2 secs Computing kpt #: 144 total cpu time spent up to now is 237.9 secs Computing kpt #: 145 total cpu time spent up to now is 239.9 secs Computing kpt #: 146 total cpu time spent up to now is 241.7 secs Computing kpt #: 147 total cpu time spent up to now is 243.1 secs Computing kpt #: 148 total cpu time spent up to now is 245.0 secs Computing kpt #: 149 total cpu time spent up to now is 247.0 secs Computing kpt #: 150 total cpu time spent up to now is 248.7 secs Computing kpt #: 151 total cpu time spent up to now is 250.3 secs Computing kpt #: 152 total cpu time spent up to now is 251.9 secs Computing kpt #: 153 total cpu time spent up to now is 253.6 secs Computing kpt #: 154 total cpu time spent up to now is 254.8 secs Computing kpt #: 155 total cpu time spent up to now is 256.4 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 259.2 secs Computing kpt #: 157 total cpu time spent up to now is 260.7 secs Computing kpt #: 158 total cpu time spent up to now is 262.6 secs Computing kpt #: 159 total cpu time spent up to now is 264.0 secs Computing kpt #: 160 total cpu time spent up to now is 265.9 secs Computing kpt #: 161 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 268.7 secs Computing kpt #: 162 total cpu time spent up to now is 270.3 secs Computing kpt #: 163 total cpu time spent up to now is 271.8 secs Computing kpt #: 164 total cpu time spent up to now is 273.2 secs Computing kpt #: 165 total cpu time spent up to now is 274.6 secs Computing kpt #: 166 total cpu time spent up to now is 276.2 secs Computing kpt #: 167 total cpu time spent up to now is 277.8 secs Computing kpt #: 168 total cpu time spent up to now is 279.6 secs Computing kpt #: 169 total cpu time spent up to now is 281.6 secs Computing kpt #: 170 total cpu time spent up to now is 283.6 secs Computing kpt #: 171 total cpu time spent up to now is 285.3 secs Computing kpt #: 172 total cpu time spent up to now is 287.0 secs Computing kpt #: 173 total cpu time spent up to now is 288.7 secs Computing kpt #: 174 total cpu time spent up to now is 290.4 secs Computing kpt #: 175 total cpu time spent up to now is 292.3 secs Computing kpt #: 176 total cpu time spent up to now is 294.3 secs Computing kpt #: 177 total cpu time spent up to now is 296.3 secs Computing kpt #: 178 total cpu time spent up to now is 298.2 secs Computing kpt #: 179 total cpu time spent up to now is 300.0 secs Computing kpt #: 180 total cpu time spent up to now is 301.7 secs Computing kpt #: 181 total cpu time spent up to now is 303.5 secs Computing kpt #: 182 total cpu time spent up to now is 305.2 secs Computing kpt #: 183 total cpu time spent up to now is 307.0 secs Computing kpt #: 184 total cpu time spent up to now is 309.1 secs Computing kpt #: 185 total cpu time spent up to now is 311.1 secs Computing kpt #: 186 total cpu time spent up to now is 313.1 secs Computing kpt #: 187 total cpu time spent up to now is 314.7 secs Computing kpt #: 188 total cpu time spent up to now is 316.2 secs Computing kpt #: 189 total cpu time spent up to now is 317.6 secs Computing kpt #: 190 total cpu time spent up to now is 318.9 secs Computing kpt #: 191 total cpu time spent up to now is 320.3 secs Computing kpt #: 192 total cpu time spent up to now is 321.7 secs Computing kpt #: 193 total cpu time spent up to now is 323.1 secs Computing kpt #: 194 total cpu time spent up to now is 324.5 secs Computing kpt #: 195 total cpu time spent up to now is 325.8 secs Computing kpt #: 196 total cpu time spent up to now is 327.2 secs Computing kpt #: 197 total cpu time spent up to now is 328.7 secs Computing kpt #: 198 total cpu time spent up to now is 330.3 secs Computing kpt #: 199 total cpu time spent up to now is 331.9 secs Computing kpt #: 200 total cpu time spent up to now is 333.5 secs Computing kpt #: 201 total cpu time spent up to now is 335.0 secs Computing kpt #: 202 total cpu time spent up to now is 336.6 secs Computing kpt #: 203 total cpu time spent up to now is 339.1 secs Computing kpt #: 204 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 342.0 secs Computing kpt #: 205 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 344.8 secs Computing kpt #: 206 total cpu time spent up to now is 347.3 secs Computing kpt #: 207 total cpu time spent up to now is 349.7 secs Computing kpt #: 208 total cpu time spent up to now is 352.0 secs Computing kpt #: 209 total cpu time spent up to now is 353.7 secs Computing kpt #: 210 total cpu time spent up to now is 355.4 secs Computing kpt #: 211 total cpu time spent up to now is 357.1 secs Computing kpt #: 212 total cpu time spent up to now is 358.7 secs Computing kpt #: 213 total cpu time spent up to now is 360.4 secs Computing kpt #: 214 total cpu time spent up to now is 362.1 secs Computing kpt #: 215 total cpu time spent up to now is 363.7 secs Computing kpt #: 216 total cpu time spent up to now is 365.0 secs Computing kpt #: 217 total cpu time spent up to now is 366.5 secs Computing kpt #: 218 total cpu time spent up to now is 368.1 secs Computing kpt #: 219 total cpu time spent up to now is 369.4 secs Computing kpt #: 220 total cpu time spent up to now is 371.0 secs Computing kpt #: 221 total cpu time spent up to now is 372.6 secs Computing kpt #: 222 total cpu time spent up to now is 374.2 secs Computing kpt #: 223 total cpu time spent up to now is 376.1 secs Computing kpt #: 224 total cpu time spent up to now is 377.7 secs Computing kpt #: 225 total cpu time spent up to now is 379.3 secs Computing kpt #: 226 total cpu time spent up to now is 381.0 secs Computing kpt #: 227 total cpu time spent up to now is 382.6 secs Computing kpt #: 228 total cpu time spent up to now is 384.2 secs Computing kpt #: 229 total cpu time spent up to now is 385.8 secs Computing kpt #: 230 total cpu time spent up to now is 387.3 secs Computing kpt #: 231 total cpu time spent up to now is 389.0 secs Computing kpt #: 232 total cpu time spent up to now is 390.7 secs Computing kpt #: 233 total cpu time spent up to now is 392.2 secs Computing kpt #: 234 total cpu time spent up to now is 393.7 secs Computing kpt #: 235 total cpu time spent up to now is 395.2 secs Computing kpt #: 236 total cpu time spent up to now is 396.7 secs Computing kpt #: 237 total cpu time spent up to now is 398.2 secs Computing kpt #: 238 total cpu time spent up to now is 399.9 secs Computing kpt #: 239 total cpu time spent up to now is 401.6 secs Computing kpt #: 240 total cpu time spent up to now is 403.4 secs Computing kpt #: 241 total cpu time spent up to now is 405.2 secs Computing kpt #: 242 total cpu time spent up to now is 407.0 secs Computing kpt #: 243 total cpu time spent up to now is 409.0 secs Computing kpt #: 244 total cpu time spent up to now is 411.8 secs Computing kpt #: 245 total cpu time spent up to now is 414.2 secs Computing kpt #: 246 total cpu time spent up to now is 416.5 secs Computing kpt #: 247 total cpu time spent up to now is 419.2 secs Computing kpt #: 248 total cpu time spent up to now is 421.5 secs Computing kpt #: 249 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 424.4 secs Computing kpt #: 250 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 427.4 secs Computing kpt #: 251 total cpu time spent up to now is 429.0 secs Computing kpt #: 252 total cpu time spent up to now is 430.3 secs Computing kpt #: 253 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 433.1 secs Computing kpt #: 254 total cpu time spent up to now is 435.2 secs Computing kpt #: 255 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 438.1 secs Computing kpt #: 256 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 441.0 secs Computing kpt #: 257 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 443.9 secs Computing kpt #: 258 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 446.8 secs Computing kpt #: 259 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 449.5 secs Computing kpt #: 260 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 452.5 secs Computing kpt #: 261 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 455.4 secs Computing kpt #: 262 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 458.3 secs Computing kpt #: 263 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 461.1 secs Computing kpt #: 264 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 464.0 secs Computing kpt #: 265 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 466.8 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 469.7 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 472.6 secs Computing kpt #: 268 total cpu time spent up to now is 475.2 secs ethr = 1.92E-08, avg # of iterations = 54.5 total cpu time spent up to now is 475.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6297 PWs) bands (ev): -6.5234 -6.5234 -4.3054 -4.3054 -4.2889 -4.2889 -4.2740 -4.2740 -2.4168 -2.4168 -2.1669 -2.1669 -2.1363 -2.1363 -1.9957 -1.9957 -1.9051 -1.9051 -1.5436 -1.5436 -1.4961 -1.4961 -1.4205 -1.4205 -1.3039 -1.3039 -1.2883 -1.2883 -1.2439 -1.2439 0.5928 0.5928 2.1099 2.1099 2.1339 2.1339 2.4887 2.4887 2.6461 2.6461 3.3782 3.3782 4.5048 4.5048 4.5109 4.5109 6.0193 6.0193 6.2725 6.2725 6.4609 6.4609 7.2549 7.2549 7.6507 7.6507 8.2232 8.2232 9.4235 9.4235 9.4953 9.4953 k = 0.0000 0.0000 0.0217 ( 6297 PWs) bands (ev): -6.5226 -6.5225 -4.3068 -4.3046 -4.2902 -4.2900 -4.2756 -4.2746 -2.4207 -2.4103 -2.1695 -2.1644 -2.1366 -2.1363 -1.9982 -1.9934 -1.9167 -1.8923 -1.5461 -1.5411 -1.4967 -1.4958 -1.4219 -1.4196 -1.3115 -1.2995 -1.2887 -1.2856 -1.2432 -1.2430 0.5903 0.5945 2.1057 2.1139 2.1314 2.1376 2.4879 2.4952 2.6439 2.6511 3.3755 3.3787 4.5017 4.5052 4.5098 4.5139 6.0036 6.0154 6.2582 6.2611 6.4496 6.4617 7.2756 7.2773 7.6539 7.6583 8.2278 8.2318 9.4221 9.4256 9.4933 9.4971 k = 0.0000 0.0000 0.0433 ( 6291 PWs) bands (ev): -6.5200 -6.5200 -4.3088 -4.3041 -4.2943 -4.2936 -4.2785 -4.2773 -2.4221 -2.4014 -2.1722 -2.1621 -2.1372 -2.1366 -2.0009 -1.9914 -1.9271 -1.8784 -1.5486 -1.5387 -1.4976 -1.4957 -1.4237 -1.4192 -1.3196 -1.3009 -1.2853 -1.2823 -1.2413 -1.2398 0.5872 0.5954 2.1026 2.1162 2.1295 2.1440 2.4929 2.5069 2.6447 2.6589 3.3704 3.3766 4.4960 4.4980 4.5159 4.5191 5.9647 5.9893 6.2228 6.2332 6.4314 6.4513 7.3342 7.3374 7.6674 7.6759 8.2459 8.2536 9.4217 9.4281 9.4913 9.4987 k = 0.0000 0.0000 0.0650 ( 6279 PWs) bands (ev): -6.5157 -6.5157 -4.3125 -4.3045 -4.3024 -4.2987 -4.2817 -4.2816 -2.4211 -2.3899 -2.1751 -2.1601 -2.1380 -2.1369 -2.0037 -1.9898 -1.9361 -1.8636 -1.5511 -1.5362 -1.4989 -1.4959 -1.4260 -1.4191 -1.3274 -1.3048 -1.2822 -1.2788 -1.2392 -1.2331 0.5832 0.5952 2.1007 2.1159 2.1289 2.1542 2.5035 2.5236 2.6482 2.6690 3.3628 3.3720 4.4869 4.4879 4.5257 4.5278 5.8984 5.9340 6.1826 6.2025 6.4081 6.4316 7.4193 7.4238 7.6897 7.7017 8.2783 8.2894 9.4225 9.4311 9.4895 9.5002 k = 0.0000 0.0000 0.0866 ( 6287 PWs) bands (ev): -6.5097 -6.5097 -4.3202 -4.3160 -4.3040 -4.3038 -4.2867 -4.2851 -2.4178 -2.3761 -2.1780 -2.1585 -2.1392 -2.1372 -2.0067 -1.9889 -1.9436 -1.8480 -1.5538 -1.5337 -1.5006 -1.4963 -1.4288 -1.4193 -1.3345 -1.3097 -1.2807 -1.2750 -1.2371 -1.2235 0.5783 0.5937 2.0989 2.1135 2.1314 2.1682 2.5194 2.5444 2.6539 2.6808 3.3527 3.3645 4.4761 4.4766 4.5388 4.5401 5.8061 5.8481 6.1500 6.1766 6.3800 6.4045 7.5202 7.5262 7.7186 7.7332 8.3260 8.3397 9.4250 9.4345 9.4881 9.5016 k = 0.0000 0.0000 0.1083 ( 6285 PWs) bands (ev): -6.5020 -6.5020 -4.3335 -4.3325 -4.3075 -4.3049 -4.2921 -4.2886 -2.4123 -2.3601 -2.1811 -2.1575 -2.1405 -2.1372 -2.0097 -1.9890 -1.9492 -1.8316 -1.5564 -1.5312 -1.5027 -1.4968 -1.4319 -1.4199 -1.3407 -1.3151 -1.2803 -1.2708 -1.2352 -1.2120 0.5723 0.5906 2.0961 2.1097 2.1394 2.1859 2.5400 2.5691 2.6613 2.6934 3.3404 3.3542 4.4655 4.4663 4.5549 4.5552 5.6950 5.7399 6.1243 6.1556 6.3472 6.3710 7.6287 7.6367 7.7516 7.7678 8.3895 8.4051 9.4295 9.4386 9.4875 9.5034 k = 0.0000 0.0000 0.1300 ( 6281 PWs) bands (ev): -6.4927 -6.4926 -4.3525 -4.3514 -4.3106 -4.3065 -4.2977 -4.2923 -2.4048 -2.3422 -2.1842 -2.1572 -2.1420 -2.1366 -2.0128 -1.9901 -1.9529 -1.8148 -1.5591 -1.5287 -1.5052 -1.4975 -1.4354 -1.4207 -1.3461 -1.3209 -1.2804 -1.2661 -1.2335 -1.1993 0.5649 0.5856 2.0920 2.1053 2.1540 2.2077 2.5642 2.5970 2.6693 2.7051 3.3265 3.3418 4.4571 4.4587 4.5725 4.5732 5.5728 5.6194 6.1005 6.1364 6.3109 6.3324 7.7396 7.7502 7.7869 7.8034 8.4686 8.4851 9.4364 9.4437 9.4881 9.5060 k = 0.0000 0.0000 0.1516 ( 6291 PWs) bands (ev): -6.4817 -6.4816 -4.3755 -4.3730 -4.3141 -4.3094 -4.3032 -4.2957 -2.3956 -2.3228 -2.1874 -2.1578 -2.1436 -2.1352 -2.0160 -1.9925 -1.9545 -1.7977 -1.5619 -1.5263 -1.5080 -1.4982 -1.4390 -1.4218 -1.3507 -1.3269 -1.2807 -1.2609 -1.2323 -1.1861 0.5560 0.5784 2.0871 2.1005 2.1754 2.2339 2.5905 2.6275 2.6774 2.7142 3.3126 3.3286 4.4526 4.4555 4.5906 4.5925 5.4452 5.4937 6.0744 6.1164 6.2729 6.2900 7.8227 7.8381 7.8501 7.8632 8.5617 8.5783 9.4460 9.4505 9.4908 9.5101 k = 0.0000 0.0000 0.1733 ( 6303 PWs) bands (ev): -6.4690 -6.4690 -4.4013 -4.3979 -4.3188 -4.3138 -4.3080 -4.2985 -2.3847 -2.3022 -2.1905 -2.1590 -2.1453 -2.1328 -2.0192 -1.9957 -1.9543 -1.7803 -1.5646 -1.5239 -1.5111 -1.4990 -1.4427 -1.4231 -1.3548 -1.3329 -1.2811 -1.2548 -1.2314 -1.1728 0.5452 0.5687 2.0821 2.0960 2.2035 2.2650 2.6155 2.6602 2.6863 2.7182 3.3013 3.3168 4.4534 4.4579 4.6072 4.6109 5.3176 5.3685 6.0425 6.0922 6.2355 6.2465 7.8587 7.8733 7.9555 7.9729 8.6658 8.6819 9.4591 9.4601 9.4963 9.5163 k = 0.0000 0.0000 0.1950 ( 6295 PWs) bands (ev): -6.4548 -6.4547 -4.4296 -4.4255 -4.3251 -4.3198 -4.3117 -4.3009 -2.3725 -2.2811 -2.1935 -2.1606 -2.1469 -2.1294 -2.0223 -1.9994 -1.9525 -1.7630 -1.5672 -1.5220 -1.5139 -1.4997 -1.4462 -1.4247 -1.3583 -1.3388 -1.2815 -1.2478 -1.2310 -1.1595 0.5325 0.5565 2.0776 2.0921 2.2385 2.3010 2.6305 2.6927 2.7015 2.7160 3.2960 3.3095 4.4600 4.4664 4.6184 4.6243 5.1960 5.2498 6.0025 6.0603 6.2012 6.2056 7.8946 7.9074 8.0557 8.0776 8.7763 8.7913 9.4741 9.4772 9.5057 9.5263 k = 0.0000 0.0000 0.2166 ( 6295 PWs) bands (ev): -6.4389 -6.4389 -4.4600 -4.4555 -4.3326 -4.3268 -4.3148 -4.3030 -2.3590 -2.2603 -2.1965 -2.1625 -2.1485 -2.1248 -2.0253 -2.0033 -1.9493 -1.7459 -1.5698 -1.5220 -1.5149 -1.5005 -1.4497 -1.4264 -1.3614 -1.3445 -1.2818 -1.2398 -1.2310 -1.1465 0.5178 0.5417 2.0739 2.0892 2.2798 2.3419 2.6267 2.6935 2.7292 2.7362 3.3002 3.3099 4.4726 4.4810 4.6171 4.6246 5.0897 5.1461 5.9532 6.0173 6.1708 6.1712 7.9305 7.9413 8.1488 8.1755 8.8863 8.8997 9.4938 9.5034 9.5202 9.5436 k = 0.0000 0.0000 0.2383 ( 6299 PWs) bands (ev): -6.4216 -6.4216 -4.4924 -4.4878 -4.3409 -4.3347 -4.3177 -4.3051 -2.3447 -2.2409 -2.1993 -2.1642 -2.1500 -2.1190 -2.0283 -2.0072 -1.9445 -1.7293 -1.5722 -1.5249 -1.5132 -1.5013 -1.4529 -1.4284 -1.3643 -1.3499 -1.2822 -1.2320 -1.2302 -1.1339 0.5010 0.5243 2.0714 2.0875 2.3273 2.3876 2.6054 2.6661 2.7660 2.7737 3.3163 3.3208 4.4909 4.5004 4.5921 4.5988 5.0134 5.0693 5.8955 5.9631 6.1429 6.1454 7.9667 7.9754 8.2338 8.2656 8.9865 8.9975 9.5168 9.5341 9.5498 9.5779 k = 0.0000 0.0000 0.2599 ( 6303 PWs) bands (ev): -6.4027 -6.4027 -4.5265 -4.5218 -4.3497 -4.3432 -4.3205 -4.3074 -2.3295 -2.2241 -2.2020 -2.1654 -2.1514 -2.1118 -2.0311 -2.0108 -1.9378 -1.7132 -1.5744 -1.5287 -1.5106 -1.5020 -1.4558 -1.4305 -1.3671 -1.3549 -1.2827 -1.2329 -1.2199 -1.1218 0.4822 0.5044 2.0705 2.0875 2.3799 2.4373 2.5703 2.6259 2.8081 2.8137 3.3435 3.3449 4.5116 4.5132 4.5359 4.5486 4.9784 5.0288 5.8312 5.9000 6.1200 6.1226 8.0036 8.0101 8.3103 8.3470 9.0661 9.0746 9.5380 9.5570 9.6142 9.6418 k = 0.0000 0.0000 0.2816 ( 6305 PWs) bands (ev): -6.3824 -6.3823 -4.5621 -4.5575 -4.3588 -4.3521 -4.3234 -4.3100 -2.3139 -2.2113 -2.2044 -2.1657 -2.1526 -2.1032 -2.0337 -2.0141 -1.9285 -1.6979 -1.5763 -1.5328 -1.5076 -1.5026 -1.4585 -1.4327 -1.3697 -1.3594 -1.2833 -1.2347 -1.2078 -1.1101 0.4614 0.4822 2.0714 2.0892 2.4358 2.4901 2.5244 2.5764 2.8541 2.8555 3.3782 3.3854 4.4313 4.4470 4.5432 4.5628 4.9787 5.0218 5.7622 5.8312 6.1000 6.1018 8.0412 8.0456 8.3780 8.4193 9.1187 9.1253 9.5580 9.5808 9.7073 9.7372 k = 0.0000 0.0000 0.3033 ( 6305 PWs) bands (ev): -6.3607 -6.3606 -4.5989 -4.5946 -4.3681 -4.3614 -4.3264 -4.3128 -2.2981 -2.2065 -2.2031 -2.1644 -2.1537 -2.0941 -2.0360 -2.0170 -1.9160 -1.6834 -1.5779 -1.5369 -1.5045 -1.5032 -1.4608 -1.4351 -1.3724 -1.3635 -1.2840 -1.2372 -1.1941 -1.0988 0.4389 0.4579 2.0744 2.0931 2.4689 2.4819 2.5321 2.5458 2.8990 2.9034 3.4240 3.4366 4.3199 4.3427 4.5744 4.5952 4.9998 5.0370 5.6904 5.7590 6.0816 6.0821 8.0799 8.0823 8.4371 8.4822 9.1461 9.1520 9.5781 9.6054 9.8224 9.8560 k = 0.0000 0.0000 0.3249 ( 6285 PWs) bands (ev): -6.3376 -6.3374 -4.6368 -4.6328 -4.3774 -4.3709 -4.3296 -4.3159 -2.2823 -2.2083 -2.1994 -2.1616 -2.1544 -2.0855 -2.0379 -2.0193 -1.8995 -1.6700 -1.5792 -1.5408 -1.5037 -1.5012 -1.4628 -1.4376 -1.3749 -1.3671 -1.2848 -1.2403 -1.1787 -1.0877 0.4146 0.4318 2.0796 2.0991 2.4080 2.4424 2.5694 2.6012 2.9444 2.9564 3.4798 3.4971 4.2016 4.2307 4.6084 4.6310 5.0316 5.0644 5.6177 5.6852 6.0631 6.0641 8.1198 8.1201 8.4881 8.5360 9.1545 9.1607 9.5986 9.6294 9.9483 9.9859 k = 0.0000 0.0000 0.3466 ( 6273 PWs) bands (ev): -6.3132 -6.3129 -4.6756 -4.6720 -4.3868 -4.3805 -4.3329 -4.3194 -2.2668 -2.2097 -2.1987 -2.1581 -2.1549 -2.0786 -2.0395 -2.0212 -1.8790 -1.6579 -1.5801 -1.5444 -1.5041 -1.4978 -1.4645 -1.4401 -1.3776 -1.3703 -1.2859 -1.2442 -1.1615 -1.0769 0.3889 0.4041 2.0873 2.1072 2.3432 2.3764 2.6291 2.6550 2.9925 3.0131 3.5443 3.5657 4.0831 4.1179 4.6440 4.6687 5.0682 5.0972 5.5462 5.6120 6.0446 6.0471 8.1593 8.1609 8.5313 8.5809 9.1496 9.1567 9.6186 9.6512 10.0727 10.1140 k = 0.0000 0.0000 0.3682 ( 6275 PWs) bands (ev): -6.2875 -6.2872 -4.7151 -4.7119 -4.3960 -4.3900 -4.3365 -4.3232 -2.2521 -2.2108 -2.1998 -2.1549 -2.1546 -2.0740 -2.0407 -2.0229 -1.8547 -1.6471 -1.5806 -1.5476 -1.5045 -1.4942 -1.4660 -1.4427 -1.3803 -1.3731 -1.2874 -1.2488 -1.1425 -1.0660 0.3618 0.3749 2.0976 2.1173 2.2769 2.3070 2.6865 2.7046 3.0438 3.0734 3.6164 3.6412 3.9691 4.0088 4.6802 4.7071 5.1054 5.1296 5.4799 5.5419 6.0265 6.0307 8.1997 8.2033 8.5676 8.6175 9.1349 9.1431 9.6369 9.6693 10.1832 10.2270 k = 0.0000 0.0000 0.3899 ( 6257 PWs) bands (ev): -6.2607 -6.2603 -4.7551 -4.7525 -4.4050 -4.3994 -4.3402 -4.3274 -2.2384 -2.2115 -2.2016 -2.1545 -2.1513 -2.0715 -2.0413 -2.0245 -1.8272 -1.6377 -1.5805 -1.5502 -1.5048 -1.4906 -1.4672 -1.4452 -1.3831 -1.3756 -1.2892 -1.2541 -1.1216 -1.0547 0.3335 0.3446 2.1104 2.1270 2.2129 2.2369 2.7364 2.7472 3.0990 3.1366 3.6951 3.7229 3.8642 3.9080 4.7163 4.7454 5.1380 5.1537 5.4257 5.4794 6.0089 6.0147 8.2413 8.2469 8.5974 8.6463 9.1123 9.1215 9.6521 9.6816 10.2701 10.2707 k = 0.0000 0.0000 0.4116 ( 6247 PWs) bands (ev): -6.2327 -6.2321 -4.7955 -4.7935 -4.4137 -4.4086 -4.3442 -4.3320 -2.2261 -2.2116 -2.2039 -2.1534 -2.1483 -2.0706 -2.0413 -2.0265 -1.7975 -1.6299 -1.5800 -1.5520 -1.5050 -1.4869 -1.4681 -1.4478 -1.3859 -1.3778 -1.2913 -1.2600 -1.0987 -1.0428 0.3042 0.3133 2.1169 2.1255 2.1682 2.1718 2.7742 2.7794 3.1577 3.2000 3.7654 3.7884 3.8031 3.8271 4.7512 4.7827 5.1565 5.1573 5.3967 5.4332 5.9920 5.9996 8.2841 8.2916 8.6213 8.6680 9.0826 9.0928 9.6622 9.6866 10.2548 10.3040 k = 0.0000 0.0000 0.4332 ( 6253 PWs) bands (ev): -6.2036 -6.2029 -4.8363 -4.8348 -4.4219 -4.4175 -4.3484 -4.3369 -2.2165 -2.2105 -2.2063 -2.1516 -2.1456 -2.0710 -2.0407 -2.0289 -1.7667 -1.6238 -1.5790 -1.5531 -1.5053 -1.4831 -1.4688 -1.4503 -1.3889 -1.3797 -1.2939 -1.2667 -1.0739 -1.0299 0.2740 0.2811 2.0632 2.0982 2.1464 2.1788 2.7955 2.7975 3.2177 3.2579 3.7056 3.7488 3.8717 3.9050 4.7839 4.8182 5.1298 5.1521 5.4009 5.4148 5.9759 5.9854 8.3277 8.3372 8.6395 8.6830 9.0461 9.0569 9.6655 9.6822 10.2369 10.2824 k = 0.0000 0.0000 0.4549 ( 6247 PWs) bands (ev): -6.1735 -6.1727 -4.8773 -4.8763 -4.4297 -4.4259 -4.3529 -4.3421 -2.2127 -2.2086 -2.2051 -2.1490 -2.1431 -2.0722 -2.0395 -2.0319 -1.7356 -1.6192 -1.5772 -1.5532 -1.5055 -1.4793 -1.4692 -1.4527 -1.3920 -1.3814 -1.2968 -1.2738 -1.0471 -1.0155 0.2430 0.2483 2.0016 2.0337 2.1673 2.1987 2.7967 2.7973 3.2733 3.3007 3.6759 3.7072 3.9662 4.0019 4.8133 4.8512 5.0842 5.1205 5.4266 5.4291 5.9610 5.9726 8.3717 8.3835 8.6523 8.6915 9.0027 9.0137 9.6601 9.6671 10.2162 10.2586 k = 0.0000 0.0000 0.4765 ( 6253 PWs) bands (ev): -6.1425 -6.1415 -4.9183 -4.9180 -4.4370 -4.4338 -4.3576 -4.3478 -2.2114 -2.2108 -2.1988 -2.1457 -2.1407 -2.0739 -2.0377 -2.0356 -1.7052 -1.6161 -1.5748 -1.5525 -1.5056 -1.4755 -1.4693 -1.4550 -1.3952 -1.3830 -1.3001 -1.2815 -1.0185 -0.9993 0.2113 0.2149 1.9415 1.9719 2.1917 2.2230 2.7759 2.7763 3.3171 3.3218 3.6914 3.7006 4.0646 4.1031 4.8381 4.8810 5.0335 5.0747 5.4575 5.4685 5.9476 5.9614 8.4158 8.4301 8.6594 8.6933 8.9524 8.9630 9.6399 9.6443 10.1929 10.2329 k = 0.0000 0.0000 0.4982 ( 6248 PWs) bands (ev): -6.1105 -6.1094 -4.9597 -4.9595 -4.4436 -4.4412 -4.3626 -4.3537 -2.2126 -2.2101 -2.1940 -2.1417 -2.1384 -2.0759 -2.0399 -2.0355 -1.6764 -1.6141 -1.5713 -1.5514 -1.5057 -1.4721 -1.4688 -1.4572 -1.3984 -1.3845 -1.3037 -1.2894 -0.9880 -0.9808 0.1789 0.1811 1.8845 1.9138 2.2191 2.2506 2.7330 2.7353 3.3275 3.3449 3.7310 3.7445 4.1659 4.2078 4.8559 4.9070 4.9874 5.0261 5.4971 5.5127 5.9359 5.9521 8.4589 8.4764 8.6603 8.6881 8.8955 8.9045 9.6005 9.6171 10.1678 10.2067 k = 0.0000 0.0000 0.5199 ( 6248 PWs) bands (ev): -6.0778 -6.0765 -5.0013 -5.0006 -4.4495 -4.4479 -4.3678 -4.3599 -2.2141 -2.2086 -2.1905 -2.1375 -2.1362 -2.0782 -2.0448 -2.0330 -1.6503 -1.6128 -1.5665 -1.5499 -1.5057 -1.4703 -1.4665 -1.4592 -1.4018 -1.3859 -1.3076 -1.2976 -0.9596 -0.9556 0.1459 0.1467 1.8313 1.8601 2.2494 2.2812 2.6721 2.6773 3.3290 3.3598 3.7897 3.8192 4.2691 4.3150 4.8618 4.9279 4.9545 4.9826 5.5403 5.5585 5.9264 5.9450 8.4989 8.5211 8.6540 8.6748 8.8332 8.8392 9.5498 9.5786 10.1429 10.1817 k = 0.0000 0.0000 0.5415 ( 6252 PWs) bands (ev): -6.0442 -6.0428 -5.0429 -5.0416 -4.4547 -4.4539 -4.3732 -4.3665 -2.2151 -2.2069 -2.1881 -2.1342 -2.1332 -2.0808 -2.0502 -2.0305 -1.6279 -1.6120 -1.5600 -1.5485 -1.5055 -1.4696 -1.4628 -1.4612 -1.4051 -1.3872 -1.3117 -1.3059 -0.9354 -0.9215 0.1120 0.1123 1.7826 1.8111 2.2825 2.3143 2.5986 2.6072 3.3304 3.3667 3.8647 3.9034 4.3725 4.4238 4.8526 4.9317 4.9416 4.9610 5.5844 5.6043 5.9191 5.9402 8.5305 8.5602 8.6393 8.6524 8.7705 8.7707 9.4907 9.5304 10.1198 10.1590 k = 0.0000 0.0000 0.5632 ( 6248 PWs) bands (ev): -6.0100 -6.0084 -5.0843 -5.0826 -4.4592 -4.4590 -4.3788 -4.3733 -2.2156 -2.2050 -2.1864 -2.1322 -2.1289 -2.0835 -2.0560 -2.0282 -1.6114 -1.6102 -1.5515 -1.5473 -1.5049 -1.4691 -1.4629 -1.4589 -1.4085 -1.3884 -1.3159 -1.3142 -0.9079 -0.8857 0.0770 0.0780 1.7388 1.7672 2.3183 2.3494 2.5182 2.5298 3.3314 3.3680 3.9463 3.9898 4.4738 4.5325 4.8391 4.9121 4.9416 4.9727 5.6282 5.6493 5.9142 5.9378 8.5371 8.5750 8.6146 8.6220 8.7148 8.7238 9.4270 9.4758 10.0996 10.1393 k = 0.0000 0.0000 0.5849 ( 6250 PWs) bands (ev): -5.9752 -5.9733 -5.1255 -5.1234 -4.4634 -4.4628 -4.3847 -4.3803 -2.2156 -2.2031 -2.1852 -2.1303 -2.1246 -2.0866 -2.0621 -2.0263 -1.6107 -1.5971 -1.5467 -1.5418 -1.5036 -1.4684 -1.4646 -1.4552 -1.4117 -1.3893 -1.3223 -1.3201 -0.8772 -0.8484 0.0415 0.0431 1.7002 1.7287 2.3559 2.3805 2.4406 2.4494 3.3299 3.3639 4.0279 4.0732 4.5693 4.6375 4.8351 4.9026 4.9462 4.9904 5.6706 5.6927 5.9116 5.9375 8.4953 8.5261 8.5771 8.5836 8.7104 8.7175 9.3636 9.4192 10.0828 10.1226 k = 0.0000 0.0000 0.6065 ( 6266 PWs) bands (ev): -5.9398 -5.9377 -5.1666 -5.1641 -4.4669 -4.4656 -4.3907 -4.3874 -2.2150 -2.2011 -2.1843 -2.1286 -2.1203 -2.0901 -2.0681 -2.0253 -1.6098 -1.5877 -1.5466 -1.5327 -1.5010 -1.4676 -1.4661 -1.4517 -1.4145 -1.3901 -1.3302 -1.3243 -0.8433 -0.8097 0.0056 0.0075 1.6671 1.6960 2.3372 2.3590 2.4048 2.4391 3.3240 3.3534 4.1049 4.1496 4.6525 4.7287 4.8515 4.9108 4.9562 5.0152 5.7111 5.7341 5.9111 5.9391 8.4166 8.4400 8.5250 8.5262 8.7416 8.7419 9.3048 9.3647 10.0693 10.1089 k = 0.0000 0.0000 0.6282 ( 6268 PWs) bands (ev): -5.9039 -5.9016 -5.2074 -5.2046 -4.4696 -4.4675 -4.3968 -4.3947 -2.2136 -2.1990 -2.1837 -2.1271 -2.1158 -2.0942 -2.0738 -2.0250 -1.6086 -1.5805 -1.5473 -1.5263 -1.4964 -1.4673 -1.4668 -1.4487 -1.4168 -1.3904 -1.3378 -1.3285 -0.8063 -0.7697 -0.0307 -0.0289 1.6399 1.6693 2.2549 2.2804 2.4451 2.4798 3.3122 3.3359 4.1743 4.2163 4.7150 4.7843 4.8987 4.9390 4.9833 5.0541 5.7492 5.7730 5.9125 5.9422 8.3223 8.3414 8.4550 8.4584 8.7758 8.7813 9.2540 9.3155 10.0586 10.0977 k = 0.0000 0.0000 0.6498 ( 6262 PWs) bands (ev): -5.8675 -5.8650 -5.2480 -5.2449 -4.4713 -4.4686 -4.4031 -4.4020 -2.2115 -2.1970 -2.1833 -2.1261 -2.1111 -2.0987 -2.0788 -2.0256 -1.6070 -1.5745 -1.5486 -1.5231 -1.4905 -1.4684 -1.4658 -1.4466 -1.4180 -1.3902 -1.3451 -1.3326 -0.7666 -0.7286 -0.0675 -0.0662 1.6186 1.6487 2.1728 2.2007 2.4911 2.5252 3.2937 3.3111 4.2351 4.2728 4.7507 4.8034 4.9559 4.9868 5.0469 5.1119 5.7845 5.8092 5.9153 5.9462 8.2223 8.2385 8.3725 8.3787 8.8125 8.8217 9.2122 9.2732 10.0504 10.0890 k = 0.0000 0.0000 0.6715 ( 6262 PWs) bands (ev): -5.8307 -5.8280 -5.2884 -5.2850 -4.4721 -4.4689 -4.4094 -4.4093 -2.2087 -2.1952 -2.1831 -2.1261 -2.1060 -2.1034 -2.0831 -2.0272 -1.6049 -1.5691 -1.5506 -1.5222 -1.4846 -1.4694 -1.4647 -1.4456 -1.4178 -1.3891 -1.3520 -1.3366 -0.7245 -0.6866 -0.1049 -0.1044 1.6037 1.6346 2.0937 2.1237 2.5398 2.5732 3.2682 3.2792 4.2884 4.3206 4.7621 4.8014 5.0157 5.0508 5.1347 5.1848 5.8167 5.8422 5.9192 5.9504 8.1220 8.1360 8.2814 8.2890 8.8489 8.8611 9.1789 9.2378 10.0445 10.0826 k = 0.0000 0.0000 0.6932 ( 6270 PWs) bands (ev): -5.7935 -5.7906 -5.3285 -5.3249 -4.4721 -4.4684 -4.4166 -4.4157 -2.2052 -2.1935 -2.1831 -2.1280 -2.1070 -2.1005 -2.0867 -2.0299 -1.6024 -1.5642 -1.5535 -1.5226 -1.4799 -1.4701 -1.4636 -1.4458 -1.4162 -1.3874 -1.3585 -1.3406 -0.6806 -0.6440 -0.1436 -0.1429 1.5952 1.6269 2.0187 2.0506 2.5906 2.6232 3.2360 3.2407 4.3361 4.3624 4.7566 4.7863 5.0851 5.1261 5.2248 5.2639 5.8455 5.8717 5.9239 5.9543 8.0256 8.0378 8.1854 8.1935 8.8838 8.8988 9.1525 9.2082 10.0408 10.0784 k = 0.0000 0.0000 0.7148 ( 6274 PWs) bands (ev): -5.7561 -5.7529 -5.3685 -5.3647 -4.4712 -4.4671 -4.4237 -4.4220 -2.2009 -2.1919 -2.1832 -2.1325 -2.1085 -2.0947 -2.0898 -2.0334 -1.5994 -1.5594 -1.5569 -1.5239 -1.4765 -1.4706 -1.4624 -1.4468 -1.4135 -1.3848 -1.3647 -1.3447 -0.6352 -0.6009 -0.1839 -0.1815 1.5934 1.6260 1.9486 1.9820 2.6434 2.6750 3.1965 3.1977 4.3804 4.4009 4.7400 4.7628 5.1610 5.2069 5.3079 5.3410 5.8708 5.8974 5.9293 5.9571 7.9374 7.9479 8.0889 8.0968 8.9166 8.9343 9.1310 9.1830 10.0392 10.0764 k = 0.0000 0.0000 0.7365 ( 6262 PWs) bands (ev): -5.7183 -5.7150 -5.4082 -5.4043 -4.4694 -4.4650 -4.4306 -4.4281 -2.1959 -2.1904 -2.1834 -2.1389 -2.1083 -2.0925 -2.0884 -2.0378 -1.5960 -1.5607 -1.5548 -1.5258 -1.4742 -1.4710 -1.4611 -1.4483 -1.4099 -1.3816 -1.3706 -1.3487 -0.5888 -0.5575 -0.2253 -0.2208 1.5983 1.6318 1.8839 1.9184 2.6980 2.7283 3.1478 3.1544 4.4229 4.4379 4.7162 4.7338 5.2381 5.2878 5.3782 5.4097 5.8923 5.9188 5.9354 5.9585 7.8617 7.8703 7.9964 8.0037 8.9470 8.9674 9.1126 9.1606 10.0396 10.0765 k = 0.0000 0.0000 0.7581 ( 6270 PWs) bands (ev): -5.6803 -5.6768 -5.4477 -5.4437 -4.4668 -4.4622 -4.4373 -4.4341 -2.1903 -2.1891 -2.1838 -2.1464 -2.1073 -2.0950 -2.0819 -2.0430 -1.5922 -1.5650 -1.5504 -1.5282 -1.4731 -1.4712 -1.4598 -1.4501 -1.4059 -1.3779 -1.3762 -1.3528 -0.5419 -0.5140 -0.2678 -0.2608 1.6100 1.6444 1.8251 1.8604 2.7539 2.7826 3.0955 3.1068 4.4646 4.4746 4.6874 4.7007 5.3110 5.3634 5.4312 5.4647 5.9101 5.9352 5.9426 5.9580 7.8026 7.8093 7.9126 7.9187 8.9748 8.9981 9.0956 9.1397 10.0420 10.0788 k = 0.0000 0.0000 0.7798 ( 6276 PWs) bands (ev): -5.6421 -5.6384 -5.4870 -5.4830 -4.4634 -4.4588 -4.4435 -4.4398 -2.1879 -2.1844 -2.1840 -2.1543 -2.1057 -2.0975 -2.0752 -2.0488 -1.5880 -1.5696 -1.5461 -1.5311 -1.4724 -1.4713 -1.4584 -1.4519 -1.4015 -1.3816 -1.3740 -1.3570 -0.4949 -0.4707 -0.3115 -0.3016 1.6287 1.6638 1.7725 1.8083 2.8109 2.8378 3.0406 3.0561 4.5059 4.5114 4.6553 4.6648 5.3750 5.4285 5.4633 5.5014 5.9244 5.9459 5.9504 5.9554 7.7642 7.7686 7.8421 7.8467 9.0000 9.0263 9.0790 9.1193 10.0466 10.0846 k = 0.0000 0.0000 0.8015 ( 6272 PWs) bands (ev): -5.6036 -5.5998 -5.5260 -5.5221 -4.4594 -4.4548 -4.4493 -4.4452 -2.1868 -2.1851 -2.1772 -2.1622 -2.1039 -2.0997 -2.0683 -2.0550 -1.5836 -1.5743 -1.5419 -1.5344 -1.4721 -1.4715 -1.4569 -1.4536 -1.3968 -1.3869 -1.3698 -1.3613 -0.4481 -0.4277 -0.3561 -0.3430 1.6544 1.6900 1.7264 1.7624 2.8685 2.8933 2.9840 3.0031 4.5469 4.5483 4.6209 4.6268 5.4259 5.4727 5.4784 5.5167 5.9357 5.9508 5.9528 5.9558 7.7492 7.7512 7.7894 7.7921 9.0227 9.0523 9.0618 9.0983 10.0531 10.0723 k = 0.0000 0.0000 0.8231 ( 6260 PWs) bands (ev): -5.5649 -5.5649 -5.5610 -5.5610 -4.4546 -4.4546 -4.4502 -4.4502 -2.1859 -2.1859 -2.1698 -2.1698 -2.1018 -2.1018 -2.0615 -2.0615 -1.5790 -1.5790 -1.5380 -1.5380 -1.4717 -1.4717 -1.4553 -1.4553 -1.3919 -1.3919 -1.3655 -1.3655 -0.4017 -0.4017 -0.3851 -0.3851 1.6869 1.6869 1.7229 1.7229 2.9264 2.9264 2.9485 2.9485 4.5850 4.5850 4.5873 4.5873 5.4595 5.4595 5.5088 5.5088 5.9443 5.9443 5.9564 5.9564 7.7583 7.7583 7.7588 7.7588 9.0432 9.0432 9.0761 9.0761 10.0616 10.0617 k = 0.0000 0.0000 0.8231 ( 6260 PWs) bands (ev): -5.5649 -5.5649 -5.5610 -5.5610 -4.4546 -4.4546 -4.4502 -4.4502 -2.1859 -2.1859 -2.1698 -2.1698 -2.1018 -2.1018 -2.0615 -2.0615 -1.5790 -1.5790 -1.5380 -1.5380 -1.4717 -1.4717 -1.4553 -1.4553 -1.3919 -1.3919 -1.3655 -1.3655 -0.4017 -0.4017 -0.3851 -0.3851 1.6869 1.6869 1.7229 1.7229 2.9264 2.9264 2.9485 2.9485 4.5850 4.5850 4.5873 4.5873 5.4595 5.4595 5.5088 5.5088 5.9443 5.9443 5.9564 5.9564 7.7583 7.7583 7.7588 7.7588 9.0432 9.0432 9.0761 9.0761 10.0616 10.0617 k =-0.0122 0.0159 0.8231 ( 6268 PWs) bands (ev): -5.5650 -5.5650 -5.5611 -5.5611 -4.4548 -4.4548 -4.4503 -4.4503 -2.1860 -2.1860 -2.1697 -2.1697 -2.1029 -2.1029 -2.0611 -2.0611 -1.5796 -1.5796 -1.5378 -1.5378 -1.4732 -1.4732 -1.4539 -1.4539 -1.3928 -1.3928 -1.3650 -1.3650 -0.3996 -0.3996 -0.3828 -0.3828 1.6874 1.6874 1.7233 1.7233 2.9265 2.9265 2.9487 2.9487 4.5802 4.5802 4.5856 4.5856 5.4586 5.4586 5.5079 5.5079 5.9406 5.9406 5.9549 5.9549 7.7605 7.7605 7.7622 7.7622 9.0489 9.0489 9.0816 9.0816 10.0604 10.0604 k =-0.0244 0.0319 0.8231 ( 6272 PWs) bands (ev): -5.5652 -5.5652 -5.5613 -5.5613 -4.4551 -4.4551 -4.4505 -4.4505 -2.1865 -2.1865 -2.1693 -2.1693 -2.1058 -2.1058 -2.0599 -2.0599 -1.5814 -1.5814 -1.5372 -1.5372 -1.4765 -1.4765 -1.4508 -1.4508 -1.3953 -1.3953 -1.3636 -1.3636 -0.3931 -0.3931 -0.3761 -0.3761 1.6889 1.6889 1.7244 1.7244 2.9267 2.9267 2.9491 2.9491 4.5682 4.5682 4.5783 4.5783 5.4559 5.4559 5.5055 5.5055 5.9302 5.9302 5.9498 5.9498 7.7683 7.7683 7.7714 7.7714 9.0657 9.0657 9.0978 9.0978 10.0563 10.0563 k =-0.0365 0.0478 0.8231 ( 6274 PWs) bands (ev): -5.5655 -5.5655 -5.5616 -5.5616 -4.4556 -4.4556 -4.4508 -4.4508 -2.1873 -2.1873 -2.1687 -2.1687 -2.1102 -2.1102 -2.0584 -2.0584 -1.5842 -1.5842 -1.5364 -1.5364 -1.4806 -1.4806 -1.4471 -1.4471 -1.3988 -1.3988 -1.3619 -1.3619 -0.3826 -0.3826 -0.3652 -0.3652 1.6913 1.6913 1.7263 1.7263 2.9271 2.9271 2.9498 2.9498 4.5501 4.5501 4.5648 4.5648 5.4513 5.4513 5.5015 5.5015 5.9144 5.9144 5.9403 5.9403 7.7817 7.7817 7.7863 7.7863 9.0927 9.0927 9.1238 9.1238 10.0491 10.0492 k =-0.0487 0.0637 0.8231 ( 6270 PWs) bands (ev): -5.5659 -5.5659 -5.5621 -5.5621 -4.4563 -4.4562 -4.4513 -4.4513 -2.1883 -2.1883 -2.1679 -2.1679 -2.1155 -2.1155 -2.0570 -2.0570 -1.5879 -1.5879 -1.5354 -1.5354 -1.4847 -1.4847 -1.4435 -1.4435 -1.4028 -1.4028 -1.3602 -1.3602 -0.3681 -0.3681 -0.3503 -0.3503 1.6947 1.6947 1.7290 1.7290 2.9275 2.9275 2.9506 2.9506 4.5264 4.5264 4.5456 4.5456 5.4450 5.4450 5.4960 5.4960 5.8938 5.8939 5.9263 5.9263 7.8008 7.8008 7.8068 7.8068 9.1283 9.1283 9.1580 9.1580 10.0382 10.0382 k =-0.0609 0.0797 0.8231 ( 6272 PWs) bands (ev): -5.5666 -5.5666 -5.5628 -5.5628 -4.4570 -4.4570 -4.4518 -4.4518 -2.1895 -2.1895 -2.1671 -2.1671 -2.1214 -2.1214 -2.0559 -2.0559 -1.5921 -1.5921 -1.5345 -1.5345 -1.4885 -1.4885 -1.4403 -1.4403 -1.4068 -1.4068 -1.3588 -1.3588 -0.3499 -0.3499 -0.3318 -0.3318 1.6992 1.6992 1.7326 1.7326 2.9281 2.9281 2.9517 2.9517 4.4976 4.4976 4.5211 4.5211 5.4368 5.4368 5.4891 5.4891 5.8692 5.8692 5.9083 5.9083 7.8256 7.8256 7.8328 7.8328 9.1704 9.1704 9.1986 9.1986 10.0229 10.0229 k =-0.0731 0.0956 0.8231 ( 6276 PWs) bands (ev): -5.5674 -5.5674 -5.5637 -5.5637 -4.4577 -4.4577 -4.4524 -4.4524 -2.1909 -2.1909 -2.1662 -2.1662 -2.1276 -2.1276 -2.0553 -2.0553 -1.5967 -1.5967 -1.5337 -1.5337 -1.4920 -1.4920 -1.4378 -1.4378 -1.4104 -1.4104 -1.3578 -1.3578 -0.3286 -0.3286 -0.3101 -0.3101 1.7047 1.7047 1.7370 1.7370 2.9287 2.9287 2.9529 2.9529 4.4646 4.4646 4.4920 4.4920 5.4268 5.4268 5.4810 5.4810 5.8411 5.8411 5.8867 5.8868 7.8557 7.8557 7.8640 7.8640 9.2164 9.2164 9.2430 9.2430 10.0028 10.0029 k =-0.0853 0.1115 0.8231 ( 6278 PWs) bands (ev): -5.5685 -5.5685 -5.5647 -5.5647 -4.4584 -4.4584 -4.4529 -4.4529 -2.1924 -2.1924 -2.1653 -2.1653 -2.1339 -2.1339 -2.0554 -2.0554 -1.6015 -1.6015 -1.5333 -1.5333 -1.4949 -1.4949 -1.4364 -1.4364 -1.4132 -1.4132 -1.3572 -1.3572 -0.3044 -0.3044 -0.2857 -0.2857 1.7115 1.7115 1.7423 1.7423 2.9293 2.9293 2.9542 2.9542 4.4280 4.4280 4.4591 4.4591 5.4150 5.4150 5.4717 5.4717 5.8101 5.8101 5.8623 5.8623 7.8910 7.8910 7.9003 7.9003 9.2634 9.2634 9.2885 9.2885 9.9781 9.9781 k =-0.0975 0.1274 0.8231 ( 6286 PWs) bands (ev): -5.5697 -5.5697 -5.5661 -5.5661 -4.4590 -4.4590 -4.4534 -4.4534 -2.1940 -2.1940 -2.1646 -2.1646 -2.1400 -2.1400 -2.0561 -2.0561 -1.6062 -1.6062 -1.5332 -1.5332 -1.4971 -1.4971 -1.4364 -1.4364 -1.4146 -1.4146 -1.3570 -1.3570 -0.2781 -0.2781 -0.2590 -0.2590 1.7195 1.7195 1.7487 1.7487 2.9299 2.9299 2.9555 2.9555 4.3886 4.3886 4.4230 4.4230 5.4014 5.4014 5.4613 5.4613 5.7771 5.7771 5.8357 5.8357 7.9308 7.9308 7.9410 7.9410 9.3080 9.3080 9.3319 9.3319 9.9492 9.9492 k =-0.1096 0.1434 0.8231 ( 6282 PWs) bands (ev): -5.5713 -5.5713 -5.5677 -5.5677 -4.4593 -4.4593 -4.4536 -4.4536 -2.1957 -2.1957 -2.1643 -2.1643 -2.1455 -2.1455 -2.0573 -2.0573 -1.6107 -1.6107 -1.5335 -1.5335 -1.4986 -1.4986 -1.4379 -1.4379 -1.4146 -1.4146 -1.3572 -1.3572 -0.2501 -0.2501 -0.2308 -0.2308 1.7289 1.7289 1.7562 1.7562 2.9304 2.9304 2.9568 2.9568 4.3474 4.3474 4.3847 4.3847 5.3859 5.3859 5.4497 5.4497 5.7427 5.7427 5.8076 5.8076 7.9746 7.9746 7.9857 7.9857 9.3470 9.3470 9.3699 9.3699 9.9171 9.9171 k =-0.1218 0.1593 0.8231 ( 6278 PWs) bands (ev): -5.5732 -5.5732 -5.5697 -5.5697 -4.4593 -4.4593 -4.4537 -4.4537 -2.1975 -2.1975 -2.1647 -2.1647 -2.1499 -2.1499 -2.0590 -2.0590 -1.6150 -1.6150 -1.5344 -1.5344 -1.4993 -1.4993 -1.4404 -1.4404 -1.4136 -1.4136 -1.3576 -1.3576 -0.2211 -0.2211 -0.2014 -0.2014 1.7398 1.7398 1.7648 1.7648 2.9307 2.9307 2.9579 2.9579 4.3052 4.3052 4.3449 4.3450 5.3686 5.3686 5.4368 5.4368 5.7077 5.7077 5.7789 5.7789 8.0217 8.0217 8.0336 8.0336 9.3773 9.3773 9.3996 9.3996 9.8831 9.8831 k =-0.1340 0.1752 0.8231 ( 6278 PWs) bands (ev): -5.5754 -5.5754 -5.5720 -5.5720 -4.4590 -4.4590 -4.4534 -4.4534 -2.1995 -2.1995 -2.1666 -2.1666 -2.1525 -2.1525 -2.0611 -2.0611 -1.6188 -1.6188 -1.5357 -1.5357 -1.4994 -1.4994 -1.4434 -1.4434 -1.4122 -1.4122 -1.3582 -1.3582 -0.1917 -0.1917 -0.1715 -0.1715 1.7523 1.7523 1.7749 1.7749 2.9308 2.9309 2.9588 2.9588 4.2628 4.2628 4.3046 4.3046 5.3495 5.3495 5.4226 5.4226 5.6729 5.6729 5.7502 5.7502 8.0711 8.0711 8.0839 8.0839 9.3963 9.3963 9.4185 9.4185 9.8485 9.8485 k =-0.1462 0.1912 0.8231 ( 6282 PWs) bands (ev): -5.5780 -5.5780 -5.5747 -5.5747 -4.4582 -4.4582 -4.4527 -4.4527 -2.2015 -2.2015 -2.1698 -2.1698 -2.1534 -2.1534 -2.0635 -2.0635 -1.6221 -1.6221 -1.5373 -1.5373 -1.4989 -1.4989 -1.4466 -1.4466 -1.4105 -1.4105 -1.3590 -1.3590 -0.1625 -0.1625 -0.1418 -0.1418 1.7666 1.7666 1.7864 1.7864 2.9307 2.9307 2.9595 2.9595 4.2210 4.2210 4.2643 4.2643 5.3285 5.3285 5.4067 5.4067 5.6392 5.6392 5.7223 5.7223 8.1218 8.1218 8.1356 8.1356 9.4030 9.4030 9.4251 9.4251 9.8138 9.8138 k =-0.1462 0.1912 0.8231 ( 6282 PWs) bands (ev): -5.5780 -5.5780 -5.5747 -5.5747 -4.4582 -4.4582 -4.4527 -4.4527 -2.2015 -2.2015 -2.1698 -2.1698 -2.1534 -2.1534 -2.0635 -2.0635 -1.6221 -1.6221 -1.5373 -1.5373 -1.4989 -1.4989 -1.4466 -1.4466 -1.4105 -1.4105 -1.3590 -1.3590 -0.1625 -0.1625 -0.1418 -0.1418 1.7666 1.7666 1.7864 1.7864 2.9307 2.9307 2.9595 2.9595 4.2210 4.2210 4.2643 4.2643 5.3285 5.3285 5.4067 5.4067 5.6392 5.6392 5.7223 5.7223 8.1218 8.1218 8.1356 8.1356 9.4030 9.4030 9.4251 9.4251 9.8138 9.8138 k =-0.1555 0.2033 0.8078 ( 6271 PWs) bands (ev): -5.6025 -5.5994 -5.5578 -5.5548 -4.4626 -4.4596 -4.4490 -4.4466 -2.2053 -2.2011 -2.1747 -2.1711 -2.1561 -2.1497 -2.0685 -2.0623 -1.6260 -1.6228 -1.5414 -1.5361 -1.4994 -1.4973 -1.4506 -1.4468 -1.4107 -1.4078 -1.3610 -1.3581 -0.1797 -0.1598 -0.0992 -0.0825 1.7668 1.7837 1.7941 1.8120 2.8962 2.9268 2.9646 2.9915 4.1715 4.2062 4.2174 4.2526 5.2838 5.3085 5.3869 5.4027 5.5916 5.6210 5.6972 5.7364 8.1622 8.1651 8.1765 8.1807 9.3822 9.3979 9.4224 9.4420 9.7604 9.8073 k =-0.1648 0.2155 0.7925 ( 6276 PWs) bands (ev): -5.6260 -5.6229 -5.5390 -5.5361 -4.4676 -4.4646 -4.4407 -4.4389 -2.2097 -2.2005 -2.1802 -2.1722 -2.1585 -2.1452 -2.0733 -2.0610 -1.6297 -1.6234 -1.5455 -1.5352 -1.4998 -1.4958 -1.4544 -1.4467 -1.4107 -1.4052 -1.3625 -1.3570 -0.2004 -0.1782 -0.0376 -0.0217 1.7740 1.7876 1.8229 1.8388 2.8624 2.8951 2.9951 3.0204 4.1250 4.1663 4.1967 4.2400 5.2229 5.2547 5.3714 5.3837 5.5533 5.5778 5.7126 5.7618 8.2087 8.2116 8.2246 8.2282 9.3490 9.3631 9.4363 9.4591 9.7120 9.7567 k =-0.1741 0.2277 0.7771 ( 6275 PWs) bands (ev): -5.6484 -5.6455 -5.5216 -5.5189 -4.4727 -4.4698 -4.4314 -4.4302 -2.2143 -2.2000 -2.1855 -2.1733 -2.1607 -2.1406 -2.0779 -2.0592 -1.6331 -1.6239 -1.5496 -1.5345 -1.5003 -1.4944 -1.4576 -1.4459 -1.4106 -1.4027 -1.3636 -1.3557 -0.2235 -0.1992 0.0242 0.0394 1.7878 1.7979 1.8530 1.8667 2.8294 2.8641 3.0225 3.0456 4.0820 4.1216 4.1819 4.2262 5.1535 5.1857 5.3305 5.3498 5.5349 5.5419 5.7416 5.7922 8.2530 8.2657 8.2723 8.2805 9.3055 9.3179 9.4499 9.4760 9.6705 9.7115 k =-0.1834 0.2399 0.7618 ( 6279 PWs) bands (ev): -5.6698 -5.6669 -5.5056 -5.5031 -4.4777 -4.4749 -4.4215 -4.4204 -2.2192 -2.1999 -2.1900 -2.1743 -2.1627 -2.1363 -2.0823 -2.0569 -1.6364 -1.6244 -1.5535 -1.5340 -1.5009 -1.4932 -1.4604 -1.4446 -1.4105 -1.4003 -1.3641 -1.3541 -0.2487 -0.2226 0.0858 0.1005 1.8080 1.8145 1.8841 1.8956 2.7975 2.8339 3.0462 3.0668 4.0427 4.0790 4.1665 4.2114 5.0795 5.1108 5.2663 5.2991 5.5235 5.5313 5.7750 5.8249 8.2932 8.3140 8.3250 8.3384 9.2552 9.2669 9.4607 9.4911 9.6390 9.6750 k =-0.1927 0.2521 0.7465 ( 6282 PWs) bands (ev): -5.6899 -5.6871 -5.4910 -5.4887 -4.4826 -4.4799 -4.4115 -4.4096 -2.2243 -2.2013 -2.1923 -2.1754 -2.1645 -2.1326 -2.0863 -2.0537 -1.6395 -1.6251 -1.5572 -1.5336 -1.5015 -1.4922 -1.4627 -1.4428 -1.4106 -1.3977 -1.3642 -1.3520 -0.2758 -0.2482 0.1469 0.1611 1.8342 1.8370 1.9160 1.9252 2.7666 2.8046 3.0660 3.0836 4.0069 4.0383 4.1503 4.1954 5.0036 5.0339 5.1939 5.2349 5.5182 5.5324 5.8102 5.8588 8.3262 8.3481 8.3870 8.3994 9.2030 9.2145 9.4636 9.4998 9.6239 9.6515 k =-0.2020 0.2642 0.7312 ( 6278 PWs) bands (ev): -5.7089 -5.7062 -5.4778 -5.4757 -4.4874 -4.4848 -4.4011 -4.3981 -2.2294 -2.2043 -2.1923 -2.1766 -2.1661 -2.1297 -2.0899 -2.0495 -1.6424 -1.6258 -1.5606 -1.5334 -1.5022 -1.4913 -1.4647 -1.4408 -1.4108 -1.3946 -1.3638 -1.3494 -0.3043 -0.2757 0.2070 0.2208 1.8640 1.8666 1.9484 1.9555 2.7368 2.7762 3.0818 3.0960 3.9736 3.9991 4.1334 4.1781 4.9275 4.9573 5.1200 5.1657 5.5180 5.5346 5.8461 5.8932 8.3487 8.3710 8.4501 8.4621 9.1540 9.1650 9.4524 9.4954 9.6290 9.6506 k =-0.2114 0.2764 0.7158 ( 6276 PWs) bands (ev): -5.7266 -5.7240 -5.4659 -5.4641 -4.4920 -4.4895 -4.3904 -4.3862 -2.2345 -2.2079 -2.1911 -2.1779 -2.1674 -2.1279 -2.0932 -2.0441 -1.6453 -1.6268 -1.5637 -1.5333 -1.5030 -1.4906 -1.4664 -1.4387 -1.4114 -1.3907 -1.3631 -1.3462 -0.3340 -0.3045 0.2656 0.2793 1.8964 1.9031 1.9809 1.9867 2.7082 2.7487 3.0935 3.1046 3.9413 3.9605 4.1161 4.1596 4.8527 4.8830 5.0482 5.0969 5.5190 5.5364 5.8823 5.9275 8.3579 8.3796 8.5128 8.5252 9.1122 9.1228 9.4287 9.4764 9.6510 9.6763 k =-0.2207 0.2886 0.7005 ( 6272 PWs) bands (ev): -5.7431 -5.7405 -5.4554 -5.4538 -4.4963 -4.4939 -4.3797 -4.3741 -2.2395 -2.2115 -2.1897 -2.1791 -2.1686 -2.1269 -2.0961 -2.0377 -1.6481 -1.6279 -1.5663 -1.5332 -1.5037 -1.4901 -1.4678 -1.4367 -1.4123 -1.3859 -1.3622 -1.3424 -0.3641 -0.3344 0.3225 0.3360 1.9325 1.9437 2.0132 2.0190 2.6806 2.7221 3.1011 3.1104 3.9068 3.9223 4.0990 4.1400 4.7806 4.8126 4.9809 5.0318 5.5199 5.5372 5.9183 5.9615 8.3522 8.3723 8.5735 8.5877 9.0801 9.0910 9.3988 9.4483 9.6878 9.7197 k =-0.2300 0.3008 0.6852 ( 6270 PWs) bands (ev): -5.7582 -5.7557 -5.4462 -5.4446 -4.5004 -4.4981 -4.3691 -4.3621 -2.2443 -2.2147 -2.1886 -2.1797 -2.1695 -2.1266 -2.0989 -2.0303 -1.6509 -1.6293 -1.5685 -1.5332 -1.5046 -1.4897 -1.4690 -1.4350 -1.4134 -1.3803 -1.3609 -1.3380 -0.3943 -0.3648 0.3770 0.3904 1.9715 1.9871 2.0454 2.0524 2.6541 2.6963 3.1048 3.1151 3.8665 3.8842 4.0829 4.1197 4.7122 4.7475 4.9198 4.9725 5.5201 5.5366 5.9539 5.9948 8.3320 8.3498 8.6309 8.6478 9.0582 9.0707 9.3670 9.4165 9.7365 9.7746 k =-0.2393 0.3129 0.6698 ( 6266 PWs) bands (ev): -5.7719 -5.7695 -5.4381 -5.4367 -4.5042 -4.5020 -4.3588 -4.3504 -2.2487 -2.2176 -2.1885 -2.1794 -2.1703 -2.1268 -2.1015 -2.0222 -1.6537 -1.6307 -1.5703 -1.5332 -1.5055 -1.4894 -1.4699 -1.4336 -1.4146 -1.3747 -1.3588 -1.3332 -0.4239 -0.3952 0.4287 0.4420 2.0122 2.0316 2.0782 2.0868 2.6287 2.6713 3.1056 3.1197 3.8195 3.8436 4.0682 4.0989 4.6489 4.6889 4.8662 4.9203 5.5193 5.5349 5.9887 6.0271 8.2996 8.3150 8.6837 8.7042 9.0457 9.0606 9.3356 9.3838 9.7942 9.8379 k =-0.2486 0.3251 0.6545 ( 6271 PWs) bands (ev): -5.7843 -5.7820 -5.4313 -5.4297 -4.5077 -4.5056 -4.3489 -4.3393 -2.2529 -2.2202 -2.1893 -2.1780 -2.1708 -2.1273 -2.1041 -2.0138 -1.6565 -1.6323 -1.5718 -1.5331 -1.5065 -1.4892 -1.4707 -1.4325 -1.4160 -1.3700 -1.3552 -1.3280 -0.4524 -0.4250 0.4771 0.4903 2.0533 2.0746 2.1128 2.1224 2.6043 2.6470 3.1057 3.1249 3.7666 3.7977 4.0549 4.0781 4.5916 4.6377 4.8206 4.8758 5.5177 5.5322 6.0223 6.0581 8.2587 8.2719 8.7310 8.7553 9.0411 9.0580 9.3059 9.3519 9.8588 9.9077 k =-0.2579 0.3373 0.6392 ( 6265 PWs) bands (ev): -5.7953 -5.7931 -5.4254 -5.4238 -4.5108 -4.5088 -4.3397 -4.3288 -2.2566 -2.2225 -2.1906 -2.1764 -2.1709 -2.1279 -2.1066 -2.0052 -1.6592 -1.6338 -1.5730 -1.5331 -1.5075 -1.4889 -1.4713 -1.4316 -1.4174 -1.3671 -1.3497 -1.3224 -0.4792 -0.4535 0.5216 0.5347 2.0932 2.1133 2.1492 2.1602 2.5813 2.6235 3.1067 3.1316 3.7084 3.7458 4.0421 4.0583 4.5414 4.5944 4.7831 4.8392 5.5154 5.5288 6.0544 6.0872 8.2130 8.2248 8.7716 8.7997 9.0426 9.0608 9.2790 9.3219 9.9283 9.9821 k =-0.2672 0.3495 0.6239 ( 6263 PWs) bands (ev): -5.8049 -5.8027 -5.4206 -5.4188 -4.5136 -4.5117 -4.3314 -4.3193 -2.2599 -2.2244 -2.1921 -2.1753 -2.1701 -2.1285 -2.1092 -1.9968 -1.6619 -1.6352 -1.5739 -1.5330 -1.5086 -1.4887 -1.4717 -1.4308 -1.4187 -1.3655 -1.3432 -1.3167 -0.5037 -0.4802 0.5616 0.5746 2.1304 2.1477 2.1850 2.2008 2.5597 2.6008 3.1104 3.1412 3.6457 3.6885 4.0274 4.0415 4.4987 4.5589 4.7531 4.8101 5.5128 5.5248 6.0845 6.1141 8.1663 8.1772 8.8052 8.8365 9.0486 9.0669 9.2552 9.2945 10.0003 10.0581 k =-0.2765 0.3616 0.6085 ( 6259 PWs) bands (ev): -5.8130 -5.8109 -5.4166 -5.4147 -4.5160 -4.5141 -4.3240 -4.3109 -2.2628 -2.2261 -2.1935 -2.1749 -2.1684 -2.1290 -2.1116 -1.9890 -1.6644 -1.6364 -1.5746 -1.5328 -1.5097 -1.4885 -1.4721 -1.4301 -1.4199 -1.3646 -1.3367 -1.3109 -0.5255 -0.5045 0.5966 0.6094 2.1640 2.1792 2.2186 2.2407 2.5401 2.5793 3.1184 3.1550 3.5801 3.6271 4.0101 4.0288 4.4640 4.5309 4.7300 4.7876 5.5100 5.5208 6.1119 6.1380 8.1218 8.1322 8.8314 8.8654 9.0574 9.0750 9.2353 9.2701 10.0721 10.1242 k =-0.2858 0.3738 0.5932 ( 6265 PWs) bands (ev): -5.8197 -5.8176 -5.4134 -5.4115 -4.5180 -4.5162 -4.3178 -4.3038 -2.2651 -2.2274 -2.1948 -2.1750 -2.1664 -2.1294 -2.1140 -1.9822 -1.6667 -1.6375 -1.5751 -1.5326 -1.5107 -1.4883 -1.4724 -1.4295 -1.4211 -1.3641 -1.3310 -1.3053 -0.5439 -0.5257 0.6261 0.6388 2.1937 2.2083 2.2485 2.2757 2.5236 2.5592 3.1322 3.1744 3.5131 3.5635 3.9927 4.0183 4.4369 4.5097 4.7127 4.7709 5.5073 5.5168 6.1360 6.1584 8.0819 8.0920 8.8509 8.8867 9.0676 9.0837 9.2195 9.2492 10.1406 10.1724 k =-0.2952 0.3860 0.5779 ( 6264 PWs) bands (ev): -5.8249 -5.8228 -5.4111 -5.4090 -4.5196 -4.5178 -4.3128 -4.2981 -2.2670 -2.2284 -2.1959 -2.1752 -2.1645 -2.1296 -2.1161 -1.9764 -1.6686 -1.6383 -1.5755 -1.5324 -1.5117 -1.4881 -1.4726 -1.4289 -1.4221 -1.3637 -1.3264 -1.3002 -0.5586 -0.5431 0.6495 0.6621 2.2198 2.2344 2.2731 2.3023 2.5113 2.5412 3.1531 3.2002 3.4468 3.4996 3.9774 4.0094 4.4170 4.4944 4.7004 4.7590 5.5051 5.5133 6.1561 6.1747 8.0488 8.0588 8.8644 8.9014 9.0774 9.0920 9.2081 9.2317 10.2010 10.2156 k =-0.3045 0.3982 0.5626 ( 6264 PWs) bands (ev): -5.8286 -5.8265 -5.4094 -5.4072 -4.5207 -4.5189 -4.3092 -4.2940 -2.2683 -2.2292 -2.1967 -2.1753 -2.1630 -2.1296 -2.1179 -1.9721 -1.6701 -1.6389 -1.5758 -1.5323 -1.5124 -1.4880 -1.4727 -1.4284 -1.4230 -1.3635 -1.3230 -1.2962 -0.5691 -0.5562 0.6666 0.6791 2.2420 2.2556 2.2908 2.3182 2.5044 2.5264 3.1822 3.2331 3.3832 3.4374 3.9656 4.0023 4.4035 4.4842 4.6923 4.7512 5.5034 5.5106 6.1713 6.1865 8.0240 8.0339 8.8732 8.9108 9.0856 9.0986 9.2012 9.2180 10.2447 10.2568 k =-0.3138 0.4103 0.5472 ( 6274 PWs) bands (ev): -5.8308 -5.8288 -5.4084 -5.4062 -4.5214 -4.5196 -4.3070 -4.2915 -2.2691 -2.2296 -2.1972 -2.1754 -2.1620 -2.1297 -2.1191 -1.9694 -1.6710 -1.6393 -1.5760 -1.5322 -1.5129 -1.4880 -1.4729 -1.4280 -1.4237 -1.3634 -1.3210 -1.2936 -0.5755 -0.5644 0.6770 0.6894 2.2585 2.2694 2.3016 2.3242 2.5026 2.5156 3.2194 3.2712 3.3261 3.3788 3.9581 3.9977 4.3958 4.4784 4.6877 4.7468 5.5023 5.5088 6.1810 6.1935 8.0087 8.0184 8.8780 8.9159 9.0910 9.1028 9.1987 9.2081 10.2697 10.2883 k =-0.3231 0.4225 0.5319 ( 6272 PWs) bands (ev): -5.8316 -5.8295 -5.4081 -5.4058 -4.5216 -4.5198 -4.3063 -4.2906 -2.2694 -2.2297 -2.1973 -2.1755 -2.1617 -2.1296 -2.1195 -1.9685 -1.6713 -1.6394 -1.5760 -1.5321 -1.5131 -1.4879 -1.4729 -1.4278 -1.4239 -1.3633 -1.3203 -1.2927 -0.5776 -0.5672 0.6805 0.6928 2.2654 2.2736 2.3055 2.3248 2.5034 2.5108 3.2573 3.2710 3.3250 3.3286 3.9555 3.9961 4.3933 4.4765 4.6862 4.7453 5.5020 5.5081 6.1844 6.1958 8.0035 8.0132 8.8796 8.9176 9.0929 9.1042 9.1992 9.2035 10.2783 10.2997 k =-0.3231 0.4225 0.5319 ( 6272 PWs) bands (ev): -5.8316 -5.8295 -5.4081 -5.4058 -4.5216 -4.5198 -4.3063 -4.2906 -2.2694 -2.2297 -2.1973 -2.1755 -2.1617 -2.1296 -2.1195 -1.9685 -1.6713 -1.6394 -1.5760 -1.5321 -1.5131 -1.4879 -1.4729 -1.4278 -1.4239 -1.3633 -1.3203 -1.2927 -0.5776 -0.5672 0.6805 0.6928 2.2654 2.2736 2.3055 2.3248 2.5034 2.5108 3.2573 3.2710 3.3250 3.3286 3.9555 3.9961 4.3933 4.4765 4.6862 4.7453 5.5020 5.5081 6.1844 6.1958 8.0035 8.0132 8.8796 8.9176 9.0929 9.1042 9.1992 9.2035 10.2783 10.2997 k =-0.3139 0.4104 0.5167 ( 6268 PWs) bands (ev): -5.8504 -5.8485 -5.3769 -5.3745 -4.5284 -4.5274 -4.3065 -4.2907 -2.2697 -2.2323 -2.1969 -2.1762 -2.1577 -2.1329 -2.1199 -1.9641 -1.6749 -1.6405 -1.5773 -1.5362 -1.5113 -1.4901 -1.4720 -1.4272 -1.4263 -1.3623 -1.3158 -1.2856 -0.6036 -0.5997 0.7157 0.7287 2.2687 2.2875 2.3315 2.3332 2.4829 2.4851 3.2311 3.2711 3.3006 3.3188 3.8849 3.9280 4.4209 4.5077 4.6370 4.7021 5.5387 5.5452 6.1974 6.2070 8.0370 8.0493 8.9238 8.9592 9.0950 9.1054 9.2180 9.2204 10.3908 10.3917 k =-0.3046 0.3984 0.5015 ( 6270 PWs) bands (ev): -5.8707 -5.8690 -5.3444 -5.3419 -4.5333 -4.5330 -4.3068 -4.2908 -2.2695 -2.2344 -2.1966 -2.1776 -2.1536 -2.1362 -2.1189 -1.9599 -1.6789 -1.6415 -1.5785 -1.5415 -1.5097 -1.4915 -1.4709 -1.4290 -1.4263 -1.3612 -1.3113 -1.2787 -0.6334 -0.6301 0.7424 0.7563 2.2734 2.2898 2.3643 2.3678 2.4624 2.4660 3.2005 3.2443 3.2986 3.3162 3.8129 3.8583 4.4501 4.5410 4.5945 4.6657 5.5695 5.5762 6.2042 6.2119 8.0715 8.0864 8.9573 8.9860 9.0987 9.1081 9.2437 9.2491 10.4871 10.5093 k =-0.2954 0.3863 0.4863 ( 6262 PWs) bands (ev): -5.8926 -5.8911 -5.3108 -5.3081 -4.5366 -4.5362 -4.3069 -4.2908 -2.2688 -2.2358 -2.1965 -2.1792 -2.1503 -2.1394 -2.1159 -1.9560 -1.6835 -1.6421 -1.5797 -1.5476 -1.5082 -1.4922 -1.4695 -1.4318 -1.4253 -1.3602 -1.3068 -1.2720 -0.6683 -0.6569 0.7608 0.7757 2.2787 2.2835 2.4019 2.4117 2.4558 2.4560 3.1708 3.2134 3.2996 3.3118 3.7398 3.7874 4.4781 4.5468 4.5883 4.6392 5.5936 5.6007 6.2047 6.2101 8.1059 8.1236 8.9804 8.9991 9.1061 9.1146 9.2820 9.2868 10.5829 10.6226 k =-0.2862 0.3742 0.4711 ( 6260 PWs) bands (ev): -5.9159 -5.9145 -5.2761 -5.2732 -4.5384 -4.5372 -4.3070 -4.2909 -2.2675 -2.2367 -2.1967 -2.1807 -2.1482 -2.1425 -2.1111 -1.9526 -1.6891 -1.6425 -1.5807 -1.5542 -1.5070 -1.4925 -1.4679 -1.4349 -1.4240 -1.3592 -1.3025 -1.2658 -0.7041 -0.6838 0.7715 0.7875 2.2721 2.2825 2.4017 2.4407 2.4831 2.4992 3.1437 3.1852 3.2967 3.3038 3.6660 3.7157 4.4988 4.5164 4.6275 4.6285 5.6108 5.6180 6.1991 6.2020 8.1396 8.1599 8.9970 9.0047 9.1188 9.1263 9.3288 9.3314 10.6656 10.7057 k =-0.2769 0.3622 0.4559 ( 6264 PWs) bands (ev): -5.9404 -5.9392 -5.2403 -5.2373 -4.5382 -4.5364 -4.3071 -4.2910 -2.2658 -2.2370 -2.1973 -2.1821 -2.1471 -2.1454 -2.1045 -1.9496 -1.6960 -1.6426 -1.5817 -1.5609 -1.5061 -1.4923 -1.4664 -1.4380 -1.4224 -1.3584 -1.2984 -1.2599 -0.7407 -0.7107 0.7753 0.7925 2.2564 2.2813 2.3938 2.4435 2.5538 2.5684 3.1200 3.1607 3.2889 3.2917 3.5919 3.6436 4.4890 4.5047 4.6408 4.6727 5.6207 5.6280 6.1879 6.1879 8.1717 8.1944 9.0093 9.0118 9.1377 9.1440 9.3789 9.3794 10.7081 10.7261 k =-0.2677 0.3501 0.4407 ( 6262 PWs) bands (ev): -5.9661 -5.9650 -5.2035 -5.2003 -4.5363 -4.5338 -4.3071 -4.2912 -2.2636 -2.2367 -2.1983 -2.1834 -2.1480 -2.1466 -2.0968 -1.9470 -1.7046 -1.6424 -1.5826 -1.5672 -1.5054 -1.4919 -1.4650 -1.4411 -1.4203 -1.3577 -1.2946 -1.2545 -0.7777 -0.7374 0.7733 0.7916 2.2375 2.2720 2.3946 2.4501 2.6355 2.6490 3.1002 3.1404 3.2754 3.2762 3.5179 3.5714 4.4666 4.4985 4.6728 4.7214 5.6229 5.6301 6.1685 6.1718 8.2019 8.2264 9.0176 9.0286 9.1635 9.1683 9.4274 9.4282 10.6813 10.6854 k =-0.2585 0.3380 0.4255 ( 6274 PWs) bands (ev): -5.9926 -5.9917 -5.1659 -5.1625 -4.5327 -4.5295 -4.3070 -4.2913 -2.2610 -2.2360 -2.1999 -2.1846 -2.1503 -2.1463 -2.0884 -1.9449 -1.7152 -1.6421 -1.5834 -1.5726 -1.5049 -1.4913 -1.4640 -1.4443 -1.4177 -1.3571 -1.2910 -1.2497 -0.8151 -0.7638 0.7666 0.7860 2.2164 2.2554 2.4051 2.4614 2.7245 2.7375 3.0847 3.1250 3.2550 3.2586 3.4444 3.4995 4.4489 4.4880 4.7160 4.7733 5.6175 5.6244 6.1449 6.1518 8.2302 8.2558 9.0323 9.0500 9.1962 9.1993 9.4724 9.4738 10.5967 10.6133 k =-0.2492 0.3259 0.4103 ( 6264 PWs) bands (ev): -6.0199 -6.0192 -5.1274 -5.1238 -4.5275 -4.5238 -4.3068 -4.2914 -2.2581 -2.2350 -2.2021 -2.1855 -2.1520 -2.1461 -2.0794 -1.9431 -1.7280 -1.6415 -1.5840 -1.5769 -1.5046 -1.4904 -1.4635 -1.4474 -1.4145 -1.3565 -1.2876 -1.2453 -0.8524 -0.7897 0.7563 0.7767 2.1942 2.2345 2.4226 2.4766 2.8177 2.8309 3.0750 3.1161 3.2309 3.2366 3.3718 3.4282 4.4355 4.4771 4.7655 4.8282 5.6044 5.6109 6.1181 6.1291 8.2567 8.2827 9.0543 9.0766 9.2356 9.2366 9.5119 9.5134 10.4923 10.5162 k =-0.2400 0.3139 0.3951 ( 6264 PWs) bands (ev): -6.0477 -6.0471 -5.0881 -5.0844 -4.5209 -4.5166 -4.3066 -4.2915 -2.2549 -2.2338 -2.2049 -2.1863 -2.1532 -2.1457 -2.0703 -1.9418 -1.7431 -1.6407 -1.5845 -1.5798 -1.5044 -1.4897 -1.4635 -1.4503 -1.4108 -1.3561 -1.2845 -1.2415 -0.8894 -0.8152 0.7432 0.7646 2.1717 2.2120 2.4444 2.4948 2.9095 2.9228 3.0762 3.1180 3.2032 3.2105 3.3010 3.3580 4.4254 4.4669 4.8192 4.8858 5.5839 5.5897 6.0894 6.1051 8.2822 8.3077 9.0831 9.1081 9.2800 9.2812 9.5437 9.5447 10.3785 10.4071 k =-0.2308 0.3018 0.3799 ( 6262 PWs) bands (ev): -6.0759 -6.0755 -5.0483 -5.0444 -4.5130 -4.5083 -4.3063 -4.2917 -2.2515 -2.2331 -2.2077 -2.1870 -2.1539 -2.1450 -2.0612 -1.9409 -1.7606 -1.6399 -1.5850 -1.5814 -1.5043 -1.4889 -1.4641 -1.4530 -1.4067 -1.3558 -1.2817 -1.2383 -0.9259 -0.8401 0.7282 0.7505 2.1495 2.1892 2.4692 2.5154 2.9845 2.9896 3.1103 3.1439 3.1714 3.1815 3.2338 3.2898 4.4178 4.4575 4.8760 4.9461 5.5564 5.5614 6.0601 6.0810 8.3073 8.3318 9.1171 9.1428 9.3284 9.3321 9.5652 9.5655 10.2621 10.2936 k =-0.2215 0.2897 0.3647 ( 6270 PWs) bands (ev): -6.1043 -6.1040 -5.0079 -5.0038 -4.5040 -4.4990 -4.3060 -4.2918 -2.2481 -2.2335 -2.2100 -2.1875 -2.1541 -2.1441 -2.0523 -1.9405 -1.7801 -1.6391 -1.5854 -1.5817 -1.5044 -1.4883 -1.4652 -1.4553 -1.4024 -1.3556 -1.2791 -1.2356 -0.9616 -0.8643 0.7120 0.7353 2.1281 2.1669 2.4959 2.5376 3.0100 3.0228 3.1303 3.1454 3.1759 3.1978 3.2091 3.2326 4.4119 4.4482 4.9353 5.0087 5.5225 5.5264 6.0316 6.0584 8.3330 8.3559 9.1534 9.1781 9.3810 9.3875 9.5733 9.5734 10.1498 10.1818 k =-0.2123 0.2777 0.3495 ( 6264 PWs) bands (ev): -6.1327 -6.1324 -4.9670 -4.9628 -4.4940 -4.4887 -4.3055 -4.2920 -2.2445 -2.2359 -2.2106 -2.1878 -2.1539 -2.1428 -2.0439 -1.9404 -1.8014 -1.6383 -1.5858 -1.5807 -1.5044 -1.4880 -1.4669 -1.4570 -1.3978 -1.3553 -1.2768 -1.2336 -0.9961 -0.8878 0.6952 0.7194 2.1079 2.1457 2.5236 2.5608 3.0081 3.0347 3.0797 3.1075 3.1353 3.1635 3.3069 3.3204 4.4069 4.4388 4.9966 5.0736 5.4829 5.4857 6.0051 6.0384 8.3597 8.3808 9.1881 9.2097 9.4362 9.4462 9.5647 9.5651 10.0496 10.0785 k =-0.2031 0.2656 0.3343 ( 6258 PWs) bands (ev): -6.1610 -6.1608 -4.9258 -4.9215 -4.4832 -4.4778 -4.3051 -4.2921 -2.2410 -2.2407 -2.2094 -2.1878 -2.1535 -2.1410 -2.0361 -1.9408 -1.8241 -1.6377 -1.5861 -1.5786 -1.5045 -1.4881 -1.4689 -1.4580 -1.3931 -1.3551 -1.2748 -1.2321 -1.0291 -0.9106 0.6784 0.7033 2.0890 2.1258 2.5516 2.5844 2.9818 3.0276 3.0395 3.0692 3.1073 3.1174 3.4244 3.4345 4.4022 4.4287 5.0595 5.1404 5.4383 5.4400 5.9816 6.0222 8.3878 8.4069 9.2154 9.2319 9.4877 9.5057 9.5386 9.5393 9.9716 9.9923 k =-0.1939 0.2535 0.3191 ( 6260 PWs) bands (ev): -6.1889 -6.1888 -4.8844 -4.8800 -4.4718 -4.4663 -4.3045 -4.2923 -2.2474 -2.2376 -2.2069 -2.1878 -2.1528 -2.1389 -2.0291 -1.9415 -1.8479 -1.6377 -1.5865 -1.5755 -1.5045 -1.4889 -1.4712 -1.4582 -1.3886 -1.3548 -1.2730 -1.2312 -1.0603 -0.9326 0.6619 0.6876 2.0718 2.1076 2.5792 2.6077 2.9275 2.9847 3.0172 3.0459 3.0917 3.0920 3.5464 3.5551 4.3973 4.4178 5.1233 5.2090 5.3899 5.3907 5.9623 6.0108 8.4173 8.4342 9.2274 9.2366 9.4691 9.4882 9.5616 9.5693 9.9244 9.9317 k =-0.1846 0.2414 0.3039 ( 6250 PWs) bands (ev): -6.2164 -6.2163 -4.8430 -4.8384 -4.4599 -4.4544 -4.3039 -4.2925 -2.2554 -2.2344 -2.2035 -2.1876 -2.1520 -2.1363 -2.0233 -1.9425 -1.8720 -1.6384 -1.5868 -1.5716 -1.5045 -1.4902 -1.4735 -1.4573 -1.3843 -1.3544 -1.2714 -1.2308 -1.0893 -0.9540 0.6461 0.6726 2.0563 2.0911 2.6054 2.6301 2.8660 2.9266 2.9928 3.0166 3.0897 3.0901 3.6711 3.6793 4.3921 4.4061 5.1865 5.2791 5.3386 5.3400 5.9476 6.0047 8.4475 8.4623 9.2137 9.2145 9.4034 9.4261 9.6158 9.6274 9.9015 9.9092 k =-0.1754 0.2294 0.2887 ( 6262 PWs) bands (ev): -6.2433 -6.2433 -4.8016 -4.7969 -4.4476 -4.4423 -4.3032 -4.2927 -2.2645 -2.2316 -2.1996 -2.1874 -2.1512 -2.1334 -2.0193 -1.9439 -1.8956 -1.6404 -1.5870 -1.5671 -1.5045 -1.4922 -1.4758 -1.4558 -1.3803 -1.3540 -1.2702 -1.2310 -1.1160 -0.9748 0.6312 0.6585 2.0428 2.0765 2.6295 2.6507 2.8040 2.8663 2.9648 2.9826 3.0972 3.0980 3.7977 3.8059 4.3867 4.3938 5.2382 5.2852 5.2996 5.3506 5.9381 6.0045 8.4773 8.4900 9.1566 9.1688 9.3359 9.3601 9.6664 9.6778 9.9000 9.9190 k =-0.1662 0.2173 0.2735 ( 6264 PWs) bands (ev): -6.2694 -6.2694 -4.7604 -4.7556 -4.4350 -4.4300 -4.3025 -4.2929 -2.2743 -2.2290 -2.1954 -2.1873 -2.1503 -2.1302 -2.0177 -1.9457 -1.9175 -1.6441 -1.5869 -1.5621 -1.5043 -1.4945 -1.4776 -1.4534 -1.3766 -1.3534 -1.2692 -1.2316 -1.1400 -0.9949 0.6176 0.6455 2.0314 2.0639 2.6502 2.6688 2.7432 2.8067 2.9359 2.9482 3.1097 3.1106 3.9253 3.9337 4.3813 4.3814 5.2156 5.2314 5.3332 5.4230 5.9340 6.0102 8.5043 8.5150 9.0719 9.0937 9.2716 9.2956 9.6979 9.7041 9.8654 9.9200 k =-0.1569 0.2052 0.2583 ( 6258 PWs) bands (ev): -6.2948 -6.2948 -4.7196 -4.7147 -4.4224 -4.4178 -4.3016 -4.2931 -2.2848 -2.2269 -2.1909 -2.1872 -2.1494 -2.1269 -2.0198 -1.9477 -1.9358 -1.6497 -1.5864 -1.5566 -1.5040 -1.4971 -1.4787 -1.4505 -1.3734 -1.3525 -1.2685 -1.2327 -1.1611 -1.0144 0.6054 0.6339 2.0221 2.0535 2.6632 2.6819 2.6876 2.7502 2.9080 2.9144 3.1257 3.1258 4.0529 4.0617 4.3697 4.3767 5.1646 5.1783 5.3961 5.4960 5.9353 6.0218 8.5242 8.5333 8.9752 9.0025 9.2066 9.2312 9.6493 9.6625 9.8198 9.8851 k =-0.1477 0.1932 0.2432 ( 6270 PWs) bands (ev): -6.3192 -6.3191 -4.6793 -4.6744 -4.4098 -4.4058 -4.3008 -4.2934 -2.2959 -2.2255 -2.1877 -2.1864 -2.1488 -2.1239 -2.0266 -1.9500 -1.9487 -1.6578 -1.5855 -1.5511 -1.5037 -1.4999 -1.4790 -1.4473 -1.3706 -1.3513 -1.2683 -1.2343 -1.1792 -1.0334 0.5947 0.6237 2.0150 2.0452 2.6229 2.6733 2.6819 2.7133 2.8818 2.8823 3.1429 3.1440 4.1792 4.1881 4.3596 4.3738 5.1135 5.1276 5.4613 5.5695 5.9416 6.0390 8.5294 8.5383 8.8788 8.9071 9.1423 9.1684 9.5298 9.5554 9.8374 9.8918 k =-0.1385 0.1811 0.2280 ( 6270 PWs) bands (ev): -6.3425 -6.3424 -4.6397 -4.6349 -4.3973 -4.3940 -4.2998 -4.2937 -2.3074 -2.2250 -2.1885 -2.1819 -2.1481 -2.1218 -2.0369 -1.9559 -1.9526 -1.6682 -1.5839 -1.5454 -1.5033 -1.5027 -1.4782 -1.4438 -1.3682 -1.3496 -1.2687 -1.2361 -1.1941 -1.0519 0.5856 0.6150 2.0102 2.0391 2.5681 2.6257 2.6864 2.7130 2.8505 2.8598 3.1615 3.1642 4.3014 4.3076 4.3525 4.3767 5.0672 5.0819 5.5264 5.6428 5.9527 6.0614 8.5095 8.5210 8.7896 8.8140 9.0871 9.1151 9.3991 9.4296 9.8574 9.9064 k =-0.1292 0.1690 0.2128 ( 6273 PWs) bands (ev): -6.3647 -6.3646 -4.6011 -4.5963 -4.3851 -4.3827 -4.2987 -4.2939 -2.3192 -2.2262 -2.1898 -2.1774 -2.1476 -2.1215 -2.0473 -1.9591 -1.9554 -1.6808 -1.5819 -1.5398 -1.5056 -1.5029 -1.4764 -1.4402 -1.3661 -1.3475 -1.2698 -1.2383 -1.2059 -1.0699 0.5782 0.6078 2.0077 2.0352 2.5149 2.5729 2.6845 2.7153 2.8211 2.8407 3.1811 3.1857 4.3454 4.3623 4.4193 4.4400 5.0304 5.0451 5.5907 5.7155 5.9680 6.0883 8.4585 8.4757 8.7050 8.7226 9.0528 9.0820 9.2690 9.3013 9.8669 9.9108 k =-0.1200 0.1569 0.1976 ( 6281 PWs) bands (ev): -6.3857 -6.3856 -4.5636 -4.5588 -4.3732 -4.3719 -4.2975 -4.2943 -2.3313 -2.2302 -2.1914 -2.1730 -2.1472 -2.1237 -2.0542 -1.9602 -1.9584 -1.6953 -1.5795 -1.5344 -1.5084 -1.5024 -1.4734 -1.4366 -1.3644 -1.3449 -1.2716 -1.2408 -1.2149 -1.0875 0.5725 0.6021 2.0074 2.0335 2.4641 2.5211 2.6762 2.7135 2.7940 2.8248 3.2013 3.2078 4.3445 4.3690 4.5195 4.5403 5.0113 5.0249 5.6534 5.7870 5.9872 6.1190 8.3836 8.4065 8.6143 8.6262 9.0459 9.0743 9.1423 9.1750 9.8633 9.9004 k =-0.1108 0.1449 0.1824 ( 6289 PWs) bands (ev): -6.4054 -6.4053 -4.5274 -4.5228 -4.3618 -4.3618 -4.2962 -4.2946 -2.3433 -2.2382 -2.1926 -2.1688 -2.1470 -2.1277 -2.0561 -1.9615 -1.9603 -1.7112 -1.5768 -1.5295 -1.5111 -1.5019 -1.4696 -1.4332 -1.3629 -1.3416 -1.2741 -1.2436 -1.2213 -1.1046 0.5684 0.5979 2.0095 2.0340 2.4160 2.4712 2.6626 2.7063 2.7698 2.8107 3.2218 3.2302 4.3473 4.3757 4.5921 4.6168 5.0234 5.0344 5.7144 5.8562 6.0103 6.1529 8.2970 8.3237 8.5115 8.5202 9.0193 9.0516 9.0635 9.0898 9.8467 9.8757 k =-0.1015 0.1328 0.1672 ( 6291 PWs) bands (ev): -6.4237 -6.4236 -4.4927 -4.4883 -4.3524 -4.3509 -4.2950 -4.2947 -2.3553 -2.2508 -2.1927 -2.1649 -2.1468 -2.1319 -2.0539 -1.9647 -1.9598 -1.7280 -1.5740 -1.5251 -1.5135 -1.5013 -1.4649 -1.4300 -1.3613 -1.3377 -1.2770 -1.2465 -1.2256 -1.1214 0.5659 0.5950 2.0137 2.0366 2.3708 2.4236 2.6454 2.6934 2.7490 2.7968 3.2422 3.2523 4.3540 4.3849 4.6266 4.6553 5.0769 5.0855 5.7732 5.9213 6.0377 6.1891 8.2073 8.2360 8.3980 8.4052 8.9034 8.9349 9.0945 9.1185 9.8192 9.8397 k =-0.0923 0.1207 0.1520 ( 6295 PWs) bands (ev): -6.4406 -6.4405 -4.4599 -4.4558 -4.3439 -4.3405 -4.2953 -4.2930 -2.3670 -2.2670 -2.1919 -2.1615 -2.1466 -2.1351 -2.0492 -1.9680 -1.9591 -1.7456 -1.5710 -1.5222 -1.5148 -1.5006 -1.4597 -1.4273 -1.3596 -1.3332 -1.2800 -1.2496 -1.2286 -1.1377 0.5649 0.5933 2.0200 2.0411 2.3288 2.3785 2.6263 2.6756 2.7312 2.7822 3.2621 3.2736 4.3645 4.3966 4.6294 4.6602 5.1655 5.1734 5.8295 5.9791 6.0714 6.2266 8.1194 8.1485 8.2770 8.2835 8.7936 8.8238 9.1345 9.1563 9.7834 9.7959 k =-0.0831 0.1086 0.1368 ( 6291 PWs) bands (ev): -6.4561 -6.4560 -4.4292 -4.4254 -4.3363 -4.3308 -4.2957 -4.2912 -2.3782 -2.2856 -2.1903 -2.1587 -2.1463 -2.1371 -2.0430 -1.9713 -1.9581 -1.7633 -1.5680 -1.5222 -1.5134 -1.4998 -1.4542 -1.4249 -1.3575 -1.3283 -1.2828 -1.2528 -1.2307 -1.1535 0.5653 0.5925 2.0283 2.0474 2.2901 2.3362 2.6063 2.6547 2.7151 2.7664 3.2811 3.2939 4.3782 4.4105 4.6154 4.6468 5.2739 5.2823 5.8831 6.0260 6.1141 6.2644 8.0357 8.0643 8.1512 8.1573 8.6912 8.7197 9.1788 9.1986 9.7423 9.7480 k =-0.0738 0.0966 0.1216 ( 6285 PWs) bands (ev): -6.4700 -6.4699 -4.4007 -4.3973 -4.3297 -4.3219 -4.2961 -4.2891 -2.3887 -2.3052 -2.1883 -2.1568 -2.1456 -2.1381 -2.0360 -1.9745 -1.9568 -1.7811 -1.5650 -1.5241 -1.5105 -1.4991 -1.4485 -1.4230 -1.3549 -1.3230 -1.2852 -1.2560 -1.2324 -1.1689 0.5668 0.5925 2.0383 2.0551 2.2552 2.2969 2.5862 2.6322 2.7001 2.7494 3.2990 3.3125 4.3946 4.4259 4.5950 4.6261 5.3911 5.4005 5.9342 6.0621 6.1644 6.3017 7.9579 7.9852 8.0230 8.0289 8.5970 8.6234 9.2245 9.2422 9.6983 9.6987 k =-0.0646 0.0845 0.1064 ( 6285 PWs) bands (ev): -6.4824 -6.4823 -4.3749 -4.3720 -4.3241 -4.3137 -4.2964 -4.2869 -2.3982 -2.3248 -2.1859 -2.1560 -2.1443 -2.1384 -2.0288 -1.9777 -1.9548 -1.7987 -1.5621 -1.5264 -1.5076 -1.4983 -1.4430 -1.4215 -1.3515 -1.3175 -1.2871 -1.2593 -1.2339 -1.1838 0.5693 0.5931 2.0498 2.0640 2.2242 2.2608 2.5665 2.6090 2.6862 2.7319 3.3154 3.3292 4.4127 4.4422 4.5737 4.6036 5.5105 5.5214 5.9828 6.0915 6.2173 6.3372 7.8868 7.8946 7.8985 7.9139 8.5117 8.5357 9.2696 9.2850 9.6507 9.6538 k =-0.0554 0.0724 0.0912 ( 6283 PWs) bands (ev): -6.4932 -6.4931 -4.3519 -4.3498 -4.3194 -4.3065 -4.2964 -4.2847 -2.4064 -2.3436 -2.1833 -2.1561 -2.1427 -2.1383 -2.0217 -1.9807 -1.9521 -1.8159 -1.5592 -1.5288 -1.5048 -1.4976 -1.4379 -1.4203 -1.3472 -1.3123 -1.2886 -1.2626 -1.2354 -1.1979 0.5725 0.5940 2.0623 2.0735 2.1976 2.2282 2.5476 2.5858 2.6736 2.7144 3.3303 3.3437 4.4315 4.4583 4.5541 4.5819 5.6275 5.6404 6.0298 6.1176 6.2687 6.3700 7.7664 7.7715 7.8249 7.8480 8.4361 8.4575 9.3123 9.3251 9.6060 9.6108 k =-0.0462 0.0604 0.0760 ( 6287 PWs) bands (ev): -6.5024 -6.5023 -4.3322 -4.3310 -4.3155 -4.3012 -4.2951 -4.2824 -2.4132 -2.3610 -2.1806 -2.1570 -2.1410 -2.1380 -2.0152 -1.9835 -1.9481 -1.8327 -1.5565 -1.5313 -1.5025 -1.4969 -1.4333 -1.4196 -1.3419 -1.3073 -1.2896 -1.2661 -1.2370 -1.2110 0.5761 0.5948 2.0754 2.0829 2.1758 2.1994 2.5300 2.5631 2.6628 2.6978 3.3433 3.3558 4.4500 4.4734 4.5374 4.5623 5.7375 5.7530 6.0761 6.1425 6.3165 6.3989 7.6426 7.6475 7.7711 7.7911 8.3710 8.3894 9.3509 9.3605 9.5667 9.5713 k =-0.0369 0.0483 0.0608 ( 6285 PWs) bands (ev): -6.5099 -6.5099 -4.3165 -4.3165 -4.3117 -4.2990 -4.2907 -4.2802 -2.4182 -2.3766 -2.1778 -2.1584 -2.1394 -2.1375 -2.0096 -1.9862 -1.9426 -1.8487 -1.5538 -1.5338 -1.5005 -1.4963 -1.4294 -1.4191 -1.3355 -1.3031 -1.2901 -1.2698 -1.2387 -1.2227 0.5800 0.5955 2.0884 2.0914 2.1590 2.1747 2.5144 2.5417 2.6542 2.6826 3.3544 3.3653 4.4672 4.4867 4.5242 4.5454 5.8349 5.8535 6.1237 6.1687 6.3595 6.4233 7.5258 7.5303 7.7266 7.7432 8.3170 8.3322 9.3838 9.3893 9.5348 9.5374 k =-0.0277 0.0362 0.0456 ( 6287 PWs) bands (ev): -6.5158 -6.5158 -4.3106 -4.3075 -4.3025 -4.2970 -4.2850 -4.2781 -2.4212 -2.3902 -2.1750 -2.1601 -2.1382 -2.1370 -2.0049 -1.9887 -1.9356 -1.8641 -1.5511 -1.5362 -1.4989 -1.4959 -1.4262 -1.4190 -1.3281 -1.2999 -1.2903 -1.2743 -1.2405 -1.2323 0.5838 0.5958 2.0979 2.1003 2.1475 2.1544 2.5015 2.5225 2.6481 2.6696 3.3635 3.3723 4.4822 4.4972 4.5148 4.5315 5.9136 5.9343 6.1734 6.1986 6.3966 6.4423 7.4205 7.4245 7.6920 7.7048 8.2749 8.2865 9.4085 9.4092 9.5117 9.5126 k =-0.0185 0.0241 0.0304 ( 6283 PWs) bands (ev): -6.5200 -6.5200 -4.3084 -4.3047 -4.2943 -4.2933 -4.2796 -4.2761 -2.4221 -2.4015 -2.1722 -2.1621 -2.1372 -2.1365 -2.0012 -1.9910 -1.9268 -1.8787 -1.5486 -1.5387 -1.4976 -1.4957 -1.4237 -1.4191 -1.3199 -1.2982 -1.2901 -1.2796 -1.2422 -1.2390 0.5873 0.5955 2.1024 2.1097 2.1395 2.1408 2.4924 2.5066 2.6446 2.6590 3.3706 3.3767 4.4941 4.5042 4.5092 4.5209 5.9698 5.9884 6.2217 6.2321 6.4270 6.4556 7.3338 7.3369 7.6677 7.6764 8.2450 8.2528 9.4191 9.4222 9.4972 9.5011 k =-0.0092 0.0121 0.0152 ( 6297 PWs) bands (ev): -6.5226 -6.5226 -4.3067 -4.3046 -4.2902 -4.2900 -4.2757 -4.2744 -2.4207 -2.4104 -2.1695 -2.1644 -2.1366 -2.1363 -1.9982 -1.9933 -1.9166 -1.8924 -1.5461 -1.5412 -1.4967 -1.4958 -1.4219 -1.4196 -1.3115 -1.2991 -1.2896 -1.2850 -1.2435 -1.2427 0.5904 0.5945 2.1059 2.1132 2.1326 2.1370 2.4879 2.4951 2.6439 2.6511 3.3755 3.3787 4.5016 4.5067 4.5082 4.5141 6.0043 6.0152 6.2584 6.2611 6.4490 6.4624 7.2753 7.2771 7.6539 7.6583 8.2277 8.2317 9.4221 9.4251 9.4938 9.4972 k = 0.0000 0.0000 0.0000 ( 6297 PWs) bands (ev): -6.5234 -6.5234 -4.3054 -4.3054 -4.2889 -4.2889 -4.2740 -4.2740 -2.4168 -2.4168 -2.1669 -2.1669 -2.1363 -2.1363 -1.9957 -1.9957 -1.9051 -1.9051 -1.5436 -1.5436 -1.4961 -1.4961 -1.4205 -1.4205 -1.3039 -1.3039 -1.2883 -1.2883 -1.2439 -1.2439 0.5928 0.5928 2.1099 2.1099 2.1339 2.1339 2.4887 2.4887 2.6461 2.6461 3.3782 3.3782 4.5048 4.5048 4.5109 4.5109 6.0193 6.0193 6.2725 6.2725 6.4609 6.4609 7.2549 7.2549 7.6507 7.6507 8.2232 8.2232 9.4235 9.4235 9.4953 9.4953 k = 0.0000 0.0000 0.0000 ( 6297 PWs) bands (ev): -6.5234 -6.5234 -4.3054 -4.3054 -4.2889 -4.2889 -4.2740 -4.2740 -2.4168 -2.4168 -2.1669 -2.1669 -2.1363 -2.1363 -1.9957 -1.9957 -1.9051 -1.9051 -1.5436 -1.5436 -1.4961 -1.4961 -1.4205 -1.4205 -1.3039 -1.3039 -1.2883 -1.2883 -1.2439 -1.2439 0.5928 0.5928 2.1099 2.1099 2.1339 2.1339 2.4887 2.4887 2.6461 2.6461 3.3782 3.3782 4.5048 4.5048 4.5109 4.5109 6.0193 6.0193 6.2725 6.2725 6.4609 6.4609 7.2549 7.2549 7.6507 7.6507 8.2232 8.2232 9.4235 9.4235 9.4953 9.4953 k = 0.0172 0.0132-0.0000 ( 6293 PWs) bands (ev): -6.5224 -6.5224 -4.3088 -4.3088 -4.2889 -4.2889 -4.2743 -4.2743 -2.4154 -2.4154 -2.1667 -2.1667 -2.1362 -2.1362 -1.9955 -1.9955 -1.9040 -1.9040 -1.5432 -1.5432 -1.4960 -1.4960 -1.4206 -1.4206 -1.3042 -1.3042 -1.2881 -1.2881 -1.2438 -1.2438 0.5909 0.5909 2.1112 2.1112 2.1353 2.1353 2.4915 2.4915 2.6427 2.6427 3.3834 3.3834 4.5062 4.5062 4.5123 4.5123 6.0143 6.0143 6.2682 6.2682 6.4367 6.4367 7.2815 7.2815 7.6531 7.6531 8.2253 8.2253 9.4267 9.4267 9.4974 9.4974 k = 0.0345 0.0264-0.0000 ( 6285 PWs) bands (ev): -6.5193 -6.5193 -4.3190 -4.3190 -4.2890 -4.2890 -4.2749 -4.2749 -2.4113 -2.4113 -2.1662 -2.1662 -2.1357 -2.1357 -1.9951 -1.9951 -1.9009 -1.9009 -1.5421 -1.5421 -1.4959 -1.4959 -1.4206 -1.4206 -1.3049 -1.3049 -1.2875 -1.2875 -1.2433 -1.2433 0.5851 0.5851 2.1151 2.1151 2.1397 2.1397 2.4998 2.4998 2.6329 2.6329 3.3986 3.3986 4.5103 4.5103 4.5165 4.5165 5.9990 5.9990 6.2555 6.2555 6.3728 6.3728 7.3530 7.3530 7.6600 7.6600 8.2317 8.2317 9.4358 9.4358 9.5035 9.5035 k = 0.0517 0.0396-0.0000 ( 6285 PWs) bands (ev): -6.5143 -6.5143 -4.3362 -4.3362 -4.2891 -4.2891 -4.2756 -4.2756 -2.4048 -2.4048 -2.1653 -2.1653 -2.1350 -2.1350 -1.9946 -1.9946 -1.8955 -1.8955 -1.5404 -1.5404 -1.4957 -1.4957 -1.4207 -1.4207 -1.3062 -1.3062 -1.2868 -1.2868 -1.2423 -1.2423 0.5757 0.5757 2.1216 2.1216 2.1469 2.1469 2.5132 2.5132 2.6180 2.6180 3.4228 3.4228 4.5170 4.5170 4.5236 4.5236 5.9723 5.9723 6.2347 6.2347 6.2858 6.2858 7.4539 7.4539 7.6716 7.6716 8.2422 8.2422 9.4500 9.4500 9.5127 9.5127 k = 0.0690 0.0527-0.0000 ( 6297 PWs) bands (ev): -6.5072 -6.5072 -4.3599 -4.3599 -4.2893 -4.2893 -4.2763 -4.2763 -2.3964 -2.3964 -2.1643 -2.1643 -2.1342 -2.1342 -1.9941 -1.9941 -1.8879 -1.8879 -1.5381 -1.5381 -1.4953 -1.4953 -1.4209 -1.4209 -1.3078 -1.3078 -1.2862 -1.2862 -1.2403 -1.2403 0.5628 0.5628 2.1307 2.1307 2.1569 2.1569 2.5306 2.5306 2.6001 2.6001 3.4547 3.4547 4.5262 4.5262 4.5333 4.5333 5.9320 5.9320 6.1898 6.1898 6.2072 6.2072 7.5722 7.5722 7.6878 7.6878 8.2571 8.2571 9.4678 9.4678 9.5236 9.5236 k = 0.0862 0.0659-0.0000 ( 6297 PWs) bands (ev): -6.4981 -6.4981 -4.3898 -4.3898 -4.2896 -4.2896 -4.2769 -4.2769 -2.3866 -2.3866 -2.1631 -2.1631 -2.1331 -2.1331 -1.9938 -1.9938 -1.8779 -1.8779 -1.5353 -1.5353 -1.4946 -1.4946 -1.4212 -1.4212 -1.3098 -1.3098 -1.2859 -1.2859 -1.2367 -1.2367 0.5466 0.5466 2.1424 2.1424 2.1697 2.1697 2.5460 2.5460 2.5862 2.5862 3.4928 3.4928 4.5378 4.5378 4.5455 4.5455 5.8741 5.8741 6.0985 6.0985 6.1719 6.1719 7.7006 7.7006 7.7085 7.7085 8.2762 8.2762 9.4867 9.4867 9.5341 9.5341 k = 0.1034 0.0791-0.0000 ( 6305 PWs) bands (ev): -6.4870 -6.4870 -4.4251 -4.4251 -4.2898 -4.2898 -4.2775 -4.2775 -2.3759 -2.3759 -2.1619 -2.1619 -2.1319 -2.1319 -1.9936 -1.9936 -1.8657 -1.8657 -1.5322 -1.5322 -1.4935 -1.4935 -1.4216 -1.4216 -1.3121 -1.3121 -1.2864 -1.2864 -1.2309 -1.2309 0.5274 0.5274 2.1564 2.1564 2.1851 2.1851 2.5393 2.5393 2.5974 2.5974 3.5357 3.5357 4.5515 4.5515 4.5599 4.5599 5.7951 5.7951 6.0187 6.0187 6.1311 6.1311 7.7335 7.7335 7.8350 7.8350 8.2997 8.2997 9.5026 9.5026 9.5410 9.5410 k = 0.1207 0.0923-0.0000 ( 6293 PWs) bands (ev): -6.4738 -6.4738 -4.4653 -4.4653 -4.2901 -4.2901 -4.2781 -4.2781 -2.3648 -2.3648 -2.1606 -2.1606 -2.1304 -2.1304 -1.9939 -1.9939 -1.8514 -1.8514 -1.5292 -1.5292 -1.4917 -1.4917 -1.4221 -1.4221 -1.3146 -1.3146 -1.2877 -1.2877 -1.2222 -1.2222 0.5056 0.5056 2.1728 2.1728 2.2031 2.2031 2.5183 2.5183 2.6262 2.6262 3.5822 3.5822 4.5671 4.5671 4.5765 4.5765 5.6977 5.6977 5.9514 5.9514 6.0856 6.0856 7.7629 7.7629 7.9726 7.9726 8.3275 8.3275 9.4829 9.4829 9.5274 9.5274 k = 0.1379 0.1055-0.0000 ( 6289 PWs) bands (ev): -6.4587 -6.4587 -4.5097 -4.5097 -4.2905 -4.2905 -4.2788 -4.2788 -2.3537 -2.3537 -2.1595 -2.1595 -2.1289 -2.1289 -1.9944 -1.9944 -1.8355 -1.8355 -1.5265 -1.5265 -1.4892 -1.4892 -1.4227 -1.4227 -1.3173 -1.3173 -1.2901 -1.2901 -1.2100 -1.2100 0.4814 0.4814 2.1914 2.1914 2.2235 2.2235 2.4956 2.4956 2.6609 2.6609 3.6314 3.6314 4.5842 4.5842 4.5946 4.5946 5.5892 5.5892 5.8919 5.8919 6.0364 6.0364 7.7965 7.7965 8.1117 8.1117 8.3598 8.3598 9.3944 9.3944 9.5249 9.5249 k = 0.1552 0.1187-0.0000 ( 6274 PWs) bands (ev): -6.4416 -6.4416 -4.5578 -4.5578 -4.2908 -4.2908 -4.2795 -4.2795 -2.3430 -2.3430 -2.1585 -2.1585 -2.1272 -2.1272 -1.9953 -1.9953 -1.8185 -1.8185 -1.5244 -1.5244 -1.4859 -1.4859 -1.4235 -1.4235 -1.3202 -1.3202 -1.2932 -1.2932 -1.1939 -1.1939 0.4551 0.4551 2.2120 2.2120 2.2462 2.2462 2.4737 2.4737 2.6989 2.6989 3.6823 3.6823 4.6022 4.6022 4.6140 4.6140 5.4758 5.4758 5.8364 5.8364 5.9846 5.9846 7.8341 7.8341 8.2509 8.2509 8.3966 8.3966 9.3008 9.3008 9.5116 9.5116 k = 0.1724 0.1318-0.0000 ( 6278 PWs) bands (ev): -6.4226 -6.4226 -4.6089 -4.6089 -4.2912 -4.2912 -4.2803 -4.2803 -2.3328 -2.3328 -2.1579 -2.1579 -2.1255 -2.1255 -1.9967 -1.9967 -1.8010 -1.8010 -1.5231 -1.5231 -1.4819 -1.4819 -1.4245 -1.4245 -1.3234 -1.3234 -1.2971 -1.2971 -1.1734 -1.1734 0.4271 0.4271 2.2342 2.2342 2.2710 2.2710 2.4541 2.4541 2.7389 2.7389 3.7343 3.7343 4.6207 4.6207 4.6340 4.6340 5.3613 5.3613 5.7830 5.7830 5.9315 5.9315 7.8756 7.8756 8.3888 8.3888 8.4379 8.4379 9.2085 9.2085 9.4799 9.4800 k = 0.1897 0.1450-0.0000 ( 6278 PWs) bands (ev): -6.4015 -6.4015 -4.6627 -4.6627 -4.2917 -4.2917 -4.2811 -4.2811 -2.3231 -2.3231 -2.1575 -2.1575 -2.1237 -2.1237 -1.9983 -1.9983 -1.7836 -1.7836 -1.5224 -1.5224 -1.4775 -1.4775 -1.4257 -1.4257 -1.3268 -1.3268 -1.3017 -1.3017 -1.1483 -1.1483 0.3975 0.3975 2.2575 2.2575 2.2978 2.2978 2.4377 2.4377 2.7802 2.7802 3.7867 3.7867 4.6388 4.6388 4.6539 4.6539 5.2479 5.2479 5.7316 5.7316 5.8783 5.8783 7.9207 7.9207 8.4836 8.4836 8.5235 8.5235 9.1197 9.1197 9.4316 9.4316 k = 0.2069 0.1582-0.0000 ( 6290 PWs) bands (ev): -6.3786 -6.3786 -4.7185 -4.7185 -4.2921 -4.2921 -4.2820 -4.2820 -2.3142 -2.3142 -2.1575 -2.1575 -2.1218 -2.1218 -2.0003 -2.0003 -1.7667 -1.7667 -1.5225 -1.5225 -1.4731 -1.4731 -1.4271 -1.4271 -1.3303 -1.3303 -1.3067 -1.3067 -1.1185 -1.1185 0.3665 0.3665 2.2811 2.2811 2.3263 2.3263 2.4259 2.4259 2.8216 2.8217 3.8389 3.8389 4.6558 4.6558 4.6727 4.6727 5.1374 5.1374 5.6829 5.6829 5.8264 5.8264 7.9693 7.9693 8.5340 8.5340 8.6513 8.6513 9.0376 9.0376 9.3688 9.3689 k = 0.2241 0.1714-0.0000 ( 6278 PWs) bands (ev): -6.3537 -6.3537 -4.7760 -4.7760 -4.2925 -4.2925 -4.2829 -4.2829 -2.3057 -2.3057 -2.1577 -2.1577 -2.1196 -2.1196 -2.0027 -2.0027 -1.7505 -1.7505 -1.5230 -1.5230 -1.4688 -1.4688 -1.4286 -1.4286 -1.3339 -1.3339 -1.3120 -1.3120 -1.0841 -1.0841 0.3345 0.3345 2.3034 2.3034 2.3563 2.3563 2.4204 2.4204 2.8624 2.8624 3.8904 3.8904 4.6704 4.6704 4.6894 4.6894 5.0310 5.0310 5.6379 5.6379 5.7772 5.7772 8.0211 8.0211 8.5888 8.5888 8.7590 8.7590 8.9748 8.9748 9.2944 9.2944 k = 0.2414 0.1846-0.0000 ( 6274 PWs) bands (ev): -6.3268 -6.3268 -4.8348 -4.8348 -4.2929 -4.2929 -4.2838 -4.2838 -2.2978 -2.2978 -2.1584 -2.1584 -2.1173 -2.1173 -2.0052 -2.0052 -1.7354 -1.7354 -1.5239 -1.5239 -1.4650 -1.4650 -1.4301 -1.4301 -1.3375 -1.3375 -1.3175 -1.3175 -1.0452 -1.0452 0.3014 0.3014 2.3221 2.3221 2.3872 2.3872 2.4240 2.4240 2.9014 2.9014 3.9409 3.9409 4.6814 4.6814 4.7025 4.7025 4.9305 4.9305 5.5979 5.5979 5.7321 5.7321 8.0757 8.0757 8.6478 8.6478 8.7909 8.7909 8.9850 8.9850 9.2124 9.2124 k = 0.2586 0.1978-0.0000 ( 6274 PWs) bands (ev): -6.2981 -6.2981 -4.8945 -4.8945 -4.2934 -4.2934 -4.2847 -4.2847 -2.2903 -2.2903 -2.1595 -2.1595 -2.1148 -2.1148 -2.0079 -2.0079 -1.7213 -1.7213 -1.5253 -1.5253 -1.4619 -1.4619 -1.4316 -1.4316 -1.3413 -1.3413 -1.3233 -1.3233 -1.0026 -1.0026 0.2675 0.2675 2.3355 2.3355 2.4183 2.4183 2.4389 2.4389 2.9374 2.9374 3.9898 3.9898 4.6863 4.6863 4.7100 4.7100 4.8387 4.8387 5.5646 5.5646 5.6927 5.6927 8.1330 8.1330 8.7097 8.7097 8.7433 8.7433 9.0574 9.0574 9.1378 9.1379 k = 0.2759 0.2109-0.0000 ( 6274 PWs) bands (ev): -6.2676 -6.2676 -4.9550 -4.9550 -4.2938 -4.2938 -4.2856 -4.2856 -2.2833 -2.2833 -2.1611 -2.1611 -2.1122 -2.1122 -2.0109 -2.0109 -1.7082 -1.7082 -1.5272 -1.5272 -1.4595 -1.4595 -1.4329 -1.4329 -1.3450 -1.3450 -1.3290 -1.3290 -0.9566 -0.9566 0.2328 0.2328 2.3450 2.3450 2.4488 2.4488 2.4642 2.4642 2.9692 2.9692 4.0367 4.0367 4.6776 4.6776 4.7089 4.7089 4.7652 4.7652 5.5391 5.5391 5.6601 5.6601 8.1924 8.1924 8.6753 8.6753 8.7787 8.7787 9.0120 9.0120 9.0522 9.0522 k = 0.2931 0.2241-0.0000 ( 6278 PWs) bands (ev): -6.2352 -6.2352 -5.0158 -5.0158 -4.2942 -4.2942 -4.2866 -4.2866 -2.2766 -2.2766 -2.1631 -2.1631 -2.1092 -2.1092 -2.0140 -2.0140 -1.6961 -1.6961 -1.5293 -1.5293 -1.4577 -1.4577 -1.4340 -1.4340 -1.3488 -1.3488 -1.3348 -1.3348 -0.9080 -0.9080 0.1974 0.1974 2.3536 2.3536 2.4795 2.4795 2.4955 2.4955 2.9955 2.9955 4.0814 4.0814 4.6340 4.6340 4.6990 4.6990 4.7307 4.7307 5.5226 5.5226 5.6355 5.6355 8.2536 8.2536 8.6099 8.6099 8.8462 8.8462 8.9205 8.9205 8.9567 8.9567 k = 0.3103 0.2373-0.0000 ( 6282 PWs) bands (ev): -6.2009 -6.2009 -5.0769 -5.0769 -4.2945 -4.2945 -4.2875 -4.2875 -2.2702 -2.2702 -2.1654 -2.1654 -2.1061 -2.1061 -2.0174 -2.0174 -1.6849 -1.6849 -1.5319 -1.5319 -1.4567 -1.4567 -1.4348 -1.4348 -1.3526 -1.3526 -1.3404 -1.3404 -0.8574 -0.8574 0.1612 0.1612 2.3639 2.3639 2.5114 2.5114 2.5288 2.5288 3.0150 3.0150 4.1233 4.1233 4.5713 4.5713 4.6858 4.6858 4.7145 4.7145 5.5153 5.5153 5.6192 5.6192 8.3156 8.3156 8.5479 8.5479 8.8242 8.8242 8.8542 8.8542 8.9230 8.9230 k = 0.3276 0.2505-0.0000 ( 6270 PWs) bands (ev): -6.1649 -6.1649 -5.1379 -5.1379 -4.2948 -4.2948 -4.2884 -4.2884 -2.2640 -2.2640 -2.1681 -2.1681 -2.1027 -2.1027 -2.0209 -2.0209 -1.6743 -1.6743 -1.5349 -1.5349 -1.4561 -1.4561 -1.4352 -1.4352 -1.3563 -1.3563 -1.3457 -1.3457 -0.8052 -0.8052 0.1244 0.1244 2.3771 2.3771 2.5440 2.5440 2.5626 2.5626 3.0265 3.0265 4.1623 4.1623 4.5120 4.5120 4.6684 4.6684 4.6966 4.6966 5.5168 5.5168 5.6112 5.6112 8.3770 8.3770 8.4913 8.4913 8.7318 8.7318 8.7617 8.7617 8.9785 8.9785 k = 0.3448 0.2637-0.0000 ( 6286 PWs) bands (ev): -6.1271 -6.1271 -5.1987 -5.1987 -4.2951 -4.2951 -4.2892 -4.2892 -2.2580 -2.2580 -2.1712 -2.1712 -2.0993 -2.0993 -2.0245 -2.0245 -1.6644 -1.6644 -1.5384 -1.5384 -1.4559 -1.4559 -1.4356 -1.4356 -1.3600 -1.3600 -1.3508 -1.3508 -0.7521 -0.7521 0.0870 0.0870 2.3938 2.3938 2.5768 2.5768 2.5958 2.5958 3.0291 3.0291 4.1979 4.1979 4.4616 4.4616 4.6466 4.6466 4.6745 4.6745 5.5260 5.5260 5.6106 5.6106 8.4254 8.4254 8.4509 8.4509 8.6428 8.6428 8.6707 8.6707 8.9846 8.9846 k = 0.3621 0.2769-0.0000 ( 6286 PWs) bands (ev): -6.0876 -6.0876 -5.2592 -5.2592 -4.2953 -4.2953 -4.2901 -4.2901 -2.2522 -2.2522 -2.1745 -2.1745 -2.0956 -2.0956 -2.0283 -2.0283 -1.6549 -1.6549 -1.5424 -1.5424 -1.4557 -1.4557 -1.4360 -1.4360 -1.3635 -1.3635 -1.3554 -1.3554 -0.6985 -0.6985 0.0487 0.0487 2.4145 2.4145 2.6089 2.6089 2.6280 2.6280 3.0224 3.0224 4.2299 4.2299 4.4211 4.4211 4.6216 4.6216 4.6487 4.6487 5.5413 5.5413 5.6161 5.6161 8.3914 8.3914 8.4899 8.4899 8.5617 8.5617 8.5846 8.5846 8.9317 8.9317 k = 0.3793 0.2901-0.0000 ( 6278 PWs) bands (ev): -6.0464 -6.0464 -5.3191 -5.3191 -4.2955 -4.2955 -4.2909 -4.2909 -2.2464 -2.2464 -2.1781 -2.1781 -2.0917 -2.0917 -2.0322 -2.0322 -1.6458 -1.6458 -1.5468 -1.5468 -1.4555 -1.4555 -1.4364 -1.4364 -1.3668 -1.3668 -1.3595 -1.3595 -0.6449 -0.6449 0.0098 0.0098 2.4392 2.4392 2.6396 2.6396 2.6583 2.6584 3.0064 3.0064 4.2580 4.2580 4.3906 4.3906 4.5949 4.5949 4.6207 4.6207 5.5609 5.5609 5.6260 5.6260 8.3537 8.3537 8.4715 8.4715 8.5028 8.5028 8.5412 8.5412 8.8805 8.8805 k = 0.3966 0.3032-0.0000 ( 6254 PWs) bands (ev): -6.0035 -6.0035 -5.3783 -5.3783 -4.2956 -4.2956 -4.2916 -4.2916 -2.2408 -2.2408 -2.1819 -2.1819 -2.0876 -2.0876 -2.0362 -2.0362 -1.6370 -1.6370 -1.5517 -1.5517 -1.4550 -1.4550 -1.4369 -1.4369 -1.3697 -1.3697 -1.3631 -1.3631 -0.5916 -0.5916 -0.0300 -0.0300 2.4678 2.4678 2.6682 2.6682 2.6864 2.6864 2.9819 2.9819 4.2820 4.2820 4.3693 4.3693 4.5683 4.5683 4.5922 4.5922 5.5830 5.5830 5.6386 5.6386 8.3226 8.3226 8.4042 8.4042 8.4306 8.4306 8.5459 8.5459 8.8632 8.8632 k = 0.4138 0.3164-0.0000 ( 6246 PWs) bands (ev): -5.9591 -5.9591 -5.4368 -5.4368 -4.2957 -4.2957 -4.2923 -4.2923 -2.2353 -2.2353 -2.1860 -2.1860 -2.0834 -2.0834 -2.0403 -2.0403 -1.6285 -1.6285 -1.5570 -1.5570 -1.4542 -1.4542 -1.4378 -1.4378 -1.3723 -1.3723 -1.3663 -1.3663 -0.5389 -0.5389 -0.0708 -0.0708 2.5003 2.5003 2.6938 2.6938 2.7116 2.7116 2.9503 2.9503 4.3017 4.3017 4.3557 4.3557 4.5434 4.5434 4.5646 4.5646 5.6057 5.6057 5.6521 5.6521 8.2984 8.2984 8.3429 8.3429 8.3671 8.3671 8.5204 8.5204 8.8875 8.8875 k = 0.4310 0.3296-0.0000 ( 6254 PWs) bands (ev): -5.9130 -5.9130 -5.4944 -5.4944 -4.2956 -4.2956 -4.2930 -4.2930 -2.2299 -2.2299 -2.1904 -2.1904 -2.0792 -2.0792 -2.0445 -2.0445 -1.6203 -1.6203 -1.5629 -1.5629 -1.4532 -1.4532 -1.4390 -1.4390 -1.3743 -1.3743 -1.3691 -1.3691 -0.4870 -0.4870 -0.1124 -0.1124 2.5363 2.5363 2.7152 2.7152 2.7334 2.7334 2.9134 2.9134 4.3172 4.3172 4.3481 4.3481 4.5216 4.5216 4.5394 4.5394 5.6276 5.6276 5.6647 5.6647 8.2784 8.2784 8.2918 8.2918 8.3163 8.3163 8.4772 8.4772 8.9396 8.9396 k = 0.4483 0.3428-0.0000 ( 6262 PWs) bands (ev): -5.8654 -5.8654 -5.5510 -5.5510 -4.2956 -4.2956 -4.2935 -4.2935 -2.2246 -2.2246 -2.1949 -2.1949 -2.0749 -2.0749 -2.0488 -2.0488 -1.6124 -1.6124 -1.5691 -1.5691 -1.4518 -1.4518 -1.4406 -1.4406 -1.3757 -1.3757 -1.3715 -1.3715 -0.4361 -0.4361 -0.1552 -0.1552 2.5753 2.5753 2.7307 2.7307 2.7516 2.7516 2.8736 2.8736 4.3284 4.3285 4.3448 4.3448 4.5041 4.5041 4.5180 4.5180 5.6473 5.6473 5.6752 5.6752 8.2481 8.2481 8.2556 8.2556 8.2909 8.2909 8.4302 8.4302 9.0055 9.0055 k = 0.4655 0.3560-0.0000 ( 6250 PWs) bands (ev): -5.8164 -5.8164 -5.6065 -5.6065 -4.2954 -4.2954 -4.2940 -4.2940 -2.2193 -2.2193 -2.1995 -2.1995 -2.0706 -2.0706 -2.0531 -2.0531 -1.6045 -1.6045 -1.5756 -1.5756 -1.4501 -1.4501 -1.4424 -1.4424 -1.3764 -1.3764 -1.3735 -1.3735 -0.3862 -0.3862 -0.1990 -0.1990 2.6165 2.6165 2.7369 2.7369 2.7663 2.7663 2.8349 2.8349 4.3359 4.3359 4.3439 4.3439 4.4917 4.4917 4.5013 4.5013 5.6636 5.6636 5.6822 5.6822 8.2192 8.2192 8.2259 8.2259 8.2894 8.2894 8.3866 8.3866 9.0782 9.0782 k = 0.4828 0.3692-0.0000 ( 6246 PWs) bands (ev): -5.7659 -5.7659 -5.6609 -5.6609 -4.2952 -4.2952 -4.2945 -4.2945 -2.2142 -2.2142 -2.2043 -2.2043 -2.0662 -2.0662 -2.0574 -2.0574 -1.5969 -1.5969 -1.5824 -1.5824 -1.4483 -1.4483 -1.4443 -1.4443 -1.3765 -1.3765 -1.3750 -1.3750 -0.3376 -0.3376 -0.2440 -0.2440 2.6585 2.6585 2.7273 2.7273 2.7780 2.7780 2.8050 2.8050 4.3404 4.3404 4.3437 4.3437 4.4851 4.4851 4.4900 4.4900 5.6756 5.6756 5.6849 5.6849 8.2022 8.2022 8.2058 8.2058 8.3000 8.3000 8.3494 8.3494 9.1541 9.1541 k = 0.5000 0.3823-0.0000 ( 6254 PWs) bands (ev): -5.7140 -5.7140 -5.7140 -5.7140 -4.2949 -4.2949 -4.2949 -4.2949 -2.2092 -2.2092 -2.2092 -2.2092 -2.0618 -2.0618 -2.0618 -2.0618 -1.5896 -1.5896 -1.5896 -1.5896 -1.4463 -1.4463 -1.4463 -1.4463 -1.3760 -1.3760 -1.3760 -1.3760 -0.2902 -0.2902 -0.2902 -0.2902 2.6981 2.6981 2.6981 2.6981 2.7887 2.7887 2.7887 2.7887 4.3428 4.3428 4.3428 4.3428 4.4845 4.4845 4.4845 4.4845 5.6828 5.6828 5.6828 5.6828 8.1977 8.1977 8.1977 8.1977 8.3202 8.3202 8.3202 8.3202 9.2310 9.2310 k = 0.5000 0.3823-0.0000 ( 6254 PWs) bands (ev): -5.7140 -5.7140 -5.7140 -5.7140 -4.2949 -4.2949 -4.2949 -4.2949 -2.2092 -2.2092 -2.2092 -2.2092 -2.0618 -2.0618 -2.0618 -2.0618 -1.5896 -1.5896 -1.5896 -1.5896 -1.4463 -1.4463 -1.4463 -1.4463 -1.3760 -1.3760 -1.3760 -1.3760 -0.2902 -0.2902 -0.2902 -0.2902 2.6981 2.6981 2.6981 2.6981 2.7887 2.7887 2.7887 2.7887 4.3428 4.3428 4.3428 4.3428 4.4845 4.4845 4.4845 4.4845 5.6828 5.6828 5.6828 5.6828 8.1977 8.1977 8.1977 8.1977 8.3202 8.3202 8.3202 8.3202 9.2310 9.2310 k = 0.4907 0.3945 0.0153 ( 6254 PWs) bands (ev): -5.7143 -5.7140 -5.7132 -5.7131 -4.2965 -4.2956 -4.2954 -4.2943 -2.2122 -2.2098 -2.2085 -2.2063 -2.0674 -2.0637 -2.0608 -2.0567 -1.5942 -1.5940 -1.5853 -1.5849 -1.4496 -1.4477 -1.4454 -1.4431 -1.3846 -1.3762 -1.3755 -1.3687 -0.2930 -0.2890 -0.2869 -0.2832 2.6655 2.6934 2.6962 2.7213 2.7661 2.7868 2.7886 2.8201 4.3074 4.3311 4.3424 4.3518 4.4766 4.4813 4.5002 4.5175 5.6764 5.6788 5.6842 5.6866 8.1672 8.1754 8.2000 8.2021 8.3221 8.3261 8.3454 8.3495 9.2368 9.2375 k = 0.4814 0.4067 0.0307 ( 6242 PWs) bands (ev): -5.7148 -5.7142 -5.7106 -5.7104 -4.3003 -4.2986 -4.2960 -4.2938 -2.2153 -2.2103 -2.2078 -2.2036 -2.0735 -2.0661 -2.0607 -2.0518 -1.5991 -1.5982 -1.5813 -1.5800 -1.4530 -1.4496 -1.4449 -1.4399 -1.3938 -1.3759 -1.3746 -1.3630 -0.2972 -0.2892 -0.2737 -0.2666 2.6313 2.6809 2.6881 2.7102 2.7710 2.7858 2.7909 2.8531 4.2570 4.2937 4.3391 4.3516 4.4825 4.4831 4.5360 4.5621 5.6604 5.6654 5.6902 5.6951 8.1172 8.1292 8.2037 8.2089 8.3355 8.3432 8.3973 8.4007 9.2564 9.2605 k = 0.4721 0.4189 0.0460 ( 6250 PWs) bands (ev): -5.7155 -5.7147 -5.7062 -5.7059 -4.3064 -4.3039 -4.2967 -4.2933 -2.2185 -2.2108 -2.2071 -2.2012 -2.0802 -2.0690 -2.0618 -2.0472 -1.6042 -1.6020 -1.5779 -1.5750 -1.4569 -1.4523 -1.4448 -1.4367 -1.4030 -1.3753 -1.3734 -1.3590 -0.3029 -0.2911 -0.2509 -0.2407 2.5967 2.6590 2.6739 2.6851 2.7688 2.7809 2.8173 2.8862 4.2005 4.2421 4.3342 4.3508 4.4875 4.4901 4.5834 4.6105 5.6351 5.6427 5.7010 5.7082 8.0652 8.0789 8.2113 8.2193 8.3590 8.3701 8.4558 8.4575 9.2896 9.2972 k = 0.4628 0.4310 0.0613 ( 6258 PWs) bands (ev): -5.7165 -5.7155 -5.7001 -5.6997 -4.3146 -4.3114 -4.2973 -4.2928 -2.2219 -2.2111 -2.2065 -2.1990 -2.0874 -2.0723 -2.0639 -2.0427 -1.6094 -1.6056 -1.5748 -1.5699 -1.4618 -1.4553 -1.4450 -1.4338 -1.4110 -1.3740 -1.3719 -1.3567 -0.3100 -0.2945 -0.2188 -0.2063 2.5624 2.6297 2.6536 2.6588 2.7615 2.7744 2.8498 2.9191 4.1409 4.1845 4.3283 4.3496 4.4924 4.4971 4.6356 4.6607 5.6011 5.6113 5.7166 5.7259 8.0161 8.0304 8.2228 8.2335 8.3921 8.4062 8.5155 8.5158 9.3353 9.3459 k = 0.4534 0.4432 0.0766 ( 6260 PWs) bands (ev): -5.7179 -5.7166 -5.6922 -5.6917 -4.3247 -4.3208 -4.2980 -4.2924 -2.2253 -2.2111 -2.2058 -2.1973 -2.0949 -2.0757 -2.0671 -2.0382 -1.6147 -1.6089 -1.5723 -1.5647 -1.4682 -1.4582 -1.4456 -1.4309 -1.4173 -1.3723 -1.3702 -1.3558 -0.3185 -0.2996 -0.1784 -0.1642 2.5287 2.5972 2.6278 2.6298 2.7531 2.7667 2.8833 2.9517 4.0793 4.1240 4.3216 4.3479 4.4959 4.5022 4.6905 4.7125 5.5594 5.5722 5.7366 5.7478 7.9718 7.9861 8.2385 8.2518 8.4342 8.4509 8.5748 8.5751 9.3928 9.4068 k = 0.4441 0.4554 0.0920 ( 6254 PWs) bands (ev): -5.7197 -5.7181 -5.6826 -5.6820 -4.3366 -4.3321 -4.2987 -4.2921 -2.2289 -2.2108 -2.2052 -2.1960 -2.1026 -2.0792 -2.0712 -2.0337 -1.6199 -1.6118 -1.5702 -1.5596 -1.4759 -1.4608 -1.4465 -1.4282 -1.4218 -1.3700 -1.3681 -1.3558 -0.3284 -0.3063 -0.1306 -0.1152 2.4958 2.5633 2.5972 2.5979 2.7436 2.7580 2.9169 2.9838 4.0167 4.0617 4.3145 4.3460 4.4960 4.5037 4.7477 4.7662 5.5108 5.5263 5.7608 5.7736 7.9336 7.9474 8.2587 8.2745 8.4846 8.5031 8.6343 8.6343 9.4605 9.4789 k = 0.4348 0.4676 0.1073 ( 6244 PWs) bands (ev): -5.7220 -5.7202 -5.6712 -5.6705 -4.3500 -4.3451 -4.2994 -4.2918 -2.2326 -2.2101 -2.2045 -2.1952 -2.1102 -2.0829 -2.0760 -2.0291 -1.6250 -1.6145 -1.5685 -1.5546 -1.4842 -1.4630 -1.4478 -1.4257 -1.4248 -1.3673 -1.3658 -1.3565 -0.3397 -0.3149 -0.0762 -0.0604 2.4640 2.5287 2.5631 2.5643 2.7331 2.7482 2.9503 3.0153 3.9536 3.9986 4.3075 4.3443 4.4912 4.5003 4.8069 4.8219 5.4564 5.4747 5.7889 5.8030 7.9020 7.9148 8.2835 8.3018 8.5423 8.5619 8.6931 8.6945 9.5365 9.5608 k = 0.4255 0.4797 0.1226 ( 6252 PWs) bands (ev): -5.7249 -5.7230 -5.6581 -5.6573 -4.3646 -4.3594 -4.3001 -4.2915 -2.2364 -2.2092 -2.2040 -2.1952 -2.1178 -2.0865 -2.0813 -2.0244 -1.6300 -1.6170 -1.5674 -1.5499 -1.4923 -1.4651 -1.4496 -1.4269 -1.4235 -1.3644 -1.3632 -1.3572 -0.3524 -0.3253 -0.0164 -0.0005 2.4336 2.4932 2.5265 2.5305 2.7213 2.7371 2.9833 3.0461 3.8903 3.9351 4.3011 4.3429 4.4801 4.4911 4.8679 4.8796 5.3973 5.4186 5.8204 5.8355 7.8776 7.8891 8.3133 8.3339 8.6061 8.6260 8.7516 8.7554 9.6177 9.6510 k = 0.4162 0.4919 0.1380 ( 6244 PWs) bands (ev): -5.7285 -5.7264 -5.6433 -5.6424 -4.3802 -4.3747 -4.3008 -4.2913 -2.2404 -2.2077 -2.2034 -2.1959 -2.1250 -2.0902 -2.0869 -2.0196 -1.6347 -1.6194 -1.5667 -1.5454 -1.4996 -1.4668 -1.4518 -1.4282 -1.4215 -1.3628 -1.3603 -1.3561 -0.3666 -0.3375 0.0477 0.0634 2.4049 2.4568 2.4888 2.4982 2.7081 2.7245 3.0158 3.0761 3.8274 3.8718 4.2957 4.3425 4.4623 4.4755 4.9301 4.9389 5.3347 5.3590 5.8547 5.8706 7.8602 7.8702 8.3480 8.3708 8.6746 8.6938 8.8097 8.8167 9.6985 9.7457 k = 0.4069 0.5041 0.1533 ( 6248 PWs) bands (ev): -5.7330 -5.7308 -5.6269 -5.6258 -4.3965 -4.3909 -4.3015 -4.2911 -2.2444 -2.2058 -2.2030 -2.1973 -2.1318 -2.0938 -2.0924 -2.0146 -1.6393 -1.6217 -1.5665 -1.5413 -1.5058 -1.4684 -1.4544 -1.4290 -1.4198 -1.3634 -1.3573 -1.3523 -0.3821 -0.3517 0.1153 0.1305 2.3781 2.4200 2.4511 2.4683 2.6933 2.7103 3.0478 3.1053 3.7653 3.8090 4.2920 4.3433 4.4374 4.4532 4.9928 4.9990 5.2695 5.2973 5.8912 5.9077 7.8500 7.8583 8.3875 8.4126 8.7459 8.7634 8.8669 8.8778 9.7688 9.8231 k = 0.3976 0.5163 0.1686 ( 6248 PWs) bands (ev): -5.7385 -5.7361 -5.6088 -5.6076 -4.4131 -4.4076 -4.3021 -4.2909 -2.2483 -2.2034 -2.2029 -2.1992 -2.1381 -2.0977 -2.0974 -2.0096 -1.6435 -1.6240 -1.5667 -1.5376 -1.5106 -1.4698 -1.4574 -1.4295 -1.4185 -1.3645 -1.3539 -1.3473 -0.3991 -0.3679 0.1850 0.1996 2.3533 2.3838 2.4148 2.4411 2.6769 2.6945 3.0791 3.1334 3.7042 3.7473 4.2902 4.3455 4.4056 4.4245 5.0547 5.0580 5.2037 5.2358 5.9291 5.9459 7.8466 7.8531 8.4319 8.4589 8.8178 8.8323 8.9226 8.9380 9.8194 9.8461 k = 0.3883 0.5285 0.1839 ( 6240 PWs) bands (ev): -5.7450 -5.7426 -5.5890 -5.5877 -4.4297 -4.4243 -4.3028 -4.2908 -2.2522 -2.2041 -2.2005 -2.2004 -2.1438 -2.1026 -2.1009 -2.0043 -1.6476 -1.6262 -1.5672 -1.5344 -1.5141 -1.4709 -1.4608 -1.4297 -1.4175 -1.3654 -1.3503 -1.3415 -0.4173 -0.3860 0.2560 0.2699 2.3308 2.3495 2.3811 2.4166 2.6590 2.6768 3.1094 3.1603 3.6447 3.6868 4.2908 4.3485 4.3673 4.3909 5.1021 5.1056 5.1510 5.1850 5.9678 5.9847 7.8497 7.8544 8.4807 8.5096 8.8874 8.8977 8.9756 8.9957 9.8550 9.8560 k = 0.3790 0.5406 0.1993 ( 6232 PWs) bands (ev): -5.7528 -5.7503 -5.5677 -5.5663 -4.4460 -4.4409 -4.3034 -4.2907 -2.2559 -2.2071 -2.2003 -2.1970 -2.1488 -2.1073 -2.1043 -1.9990 -1.6513 -1.6283 -1.5681 -1.5316 -1.5164 -1.4718 -1.4646 -1.4297 -1.4169 -1.3661 -1.3464 -1.3352 -0.4369 -0.4062 0.3270 0.3402 2.3107 2.3186 2.3512 2.3949 2.6394 2.6573 3.1387 3.1856 3.5870 3.6281 4.2929 4.3242 4.3374 4.3678 5.0577 5.0851 5.1890 5.2016 6.0064 6.0231 7.8590 7.8617 8.5335 8.5642 8.9512 8.9563 9.0249 9.0492 9.8712 9.8884 k = 0.3696 0.5528 0.2146 ( 6232 PWs) bands (ev): -5.7620 -5.7595 -5.5448 -5.5433 -4.4617 -4.4570 -4.3040 -4.2906 -2.2593 -2.2109 -2.1999 -2.1932 -2.1533 -2.1115 -2.1075 -1.9938 -1.6549 -1.6305 -1.5692 -1.5295 -1.5175 -1.4726 -1.4686 -1.4296 -1.4169 -1.3664 -1.3424 -1.3286 -0.4577 -0.4283 0.3967 0.4093 2.2924 2.2932 2.3264 2.3760 2.6185 2.6362 3.1667 3.2091 3.5315 3.5713 4.2683 4.2950 4.3054 4.3735 4.9917 5.0268 5.2475 5.2554 6.0439 6.0603 7.8738 7.8747 8.5897 8.6221 9.0052 9.0057 9.0690 9.0962 9.8981 9.9289 k = 0.3603 0.5650 0.2299 ( 6246 PWs) bands (ev): -5.7726 -5.7702 -5.5203 -5.5187 -4.4765 -4.4723 -4.3045 -4.2906 -2.2623 -2.2150 -2.1994 -2.1890 -2.1573 -2.1155 -2.1107 -1.9885 -1.6583 -1.6325 -1.5705 -1.5281 -1.5178 -1.4732 -1.4729 -1.4294 -1.4175 -1.3664 -1.3383 -1.3217 -0.4797 -0.4524 0.4639 0.4760 2.2723 2.2788 2.3076 2.3598 2.5963 2.6133 3.1930 3.2303 3.4786 3.5168 4.2143 4.2434 4.3146 4.3864 4.9256 4.9655 5.3052 5.3117 6.0795 6.0953 7.8927 7.8938 8.6485 8.6825 9.0425 9.0479 9.1067 9.1346 9.9406 9.9822 k = 0.3510 0.5772 0.2453 ( 6256 PWs) bands (ev): -5.7849 -5.7825 -5.4944 -5.4926 -4.4901 -4.4864 -4.3050 -4.2905 -2.2649 -2.2191 -2.1989 -2.1844 -2.1606 -2.1192 -2.1135 -1.9833 -1.6616 -1.6345 -1.5719 -1.5275 -1.5172 -1.4772 -1.4735 -1.4292 -1.4184 -1.3659 -1.3339 -1.3145 -0.5028 -0.4785 0.5272 0.5390 2.2595 2.2687 2.2950 2.3464 2.5732 2.5891 3.2172 3.2484 3.4290 3.4648 4.1548 4.1869 4.3287 4.4034 4.8610 4.9056 5.3604 5.3663 6.1122 6.1272 7.9152 7.9183 8.7086 8.7442 9.0678 9.0768 9.1375 9.1632 10.0010 10.0505 k = 0.3417 0.5893 0.2606 ( 6266 PWs) bands (ev): -5.7987 -5.7964 -5.4670 -5.4651 -4.5023 -4.4992 -4.3055 -4.2906 -2.2670 -2.2230 -2.1984 -2.1800 -2.1630 -2.1228 -2.1161 -1.9782 -1.6648 -1.6364 -1.5733 -1.5279 -1.5162 -1.4813 -1.4736 -1.4288 -1.4199 -1.3653 -1.3295 -1.3073 -0.5269 -0.5064 0.5852 0.5969 2.2552 2.2638 2.2890 2.3357 2.5496 2.5636 3.2389 3.2620 3.3839 3.4157 4.0913 4.1264 4.3466 4.4241 4.7991 4.8482 5.4120 5.4178 6.1411 6.1551 7.9417 7.9468 8.7687 8.8057 9.0826 9.0937 9.1616 9.1821 10.0790 10.1330 k = 0.3324 0.6015 0.2759 ( 6272 PWs) bands (ev): -5.8143 -5.8121 -5.4382 -5.4361 -4.5128 -4.5104 -4.3059 -4.2906 -2.2685 -2.2266 -2.1978 -2.1766 -2.1637 -2.1262 -2.1181 -1.9733 -1.6680 -1.6380 -1.5746 -1.5294 -1.5147 -1.4849 -1.4734 -1.4284 -1.4217 -1.3644 -1.3249 -1.3000 -0.5519 -0.5360 0.6367 0.6486 2.2602 2.2634 2.2916 2.3281 2.5261 2.5374 3.2573 3.2677 3.3466 3.3699 4.0247 4.0626 4.3682 4.4485 4.7406 4.7945 5.4595 5.4654 6.1654 6.1782 7.9713 7.9787 8.8267 8.8646 9.0899 9.1015 9.1811 9.1939 10.1725 10.2156 k = 0.3231 0.6137 0.2912 ( 6272 PWs) bands (ev): -5.8316 -5.8295 -5.4081 -5.4058 -4.5216 -4.5198 -4.3063 -4.2906 -2.2694 -2.2297 -2.1973 -2.1755 -2.1617 -2.1296 -2.1195 -1.9685 -1.6713 -1.6394 -1.5760 -1.5321 -1.5131 -1.4879 -1.4729 -1.4278 -1.4239 -1.3633 -1.3203 -1.2927 -0.5776 -0.5672 0.6805 0.6928 2.2654 2.2736 2.3055 2.3248 2.5034 2.5108 3.2573 3.2710 3.3250 3.3286 3.9555 3.9961 4.3933 4.4765 4.6862 4.7453 5.5020 5.5081 6.1844 6.1958 8.0035 8.0132 8.8796 8.9176 9.0929 9.1042 9.1992 9.2035 10.2783 10.2997 k = 0.3231 0.6137 0.2912 ( 6272 PWs) bands (ev): -5.8316 -5.8295 -5.4081 -5.4058 -4.5216 -4.5198 -4.3063 -4.2906 -2.2694 -2.2297 -2.1973 -2.1755 -2.1617 -2.1296 -2.1195 -1.9685 -1.6713 -1.6394 -1.5760 -1.5321 -1.5131 -1.4879 -1.4729 -1.4278 -1.4239 -1.3633 -1.3203 -1.2927 -0.5776 -0.5672 0.6805 0.6928 2.2654 2.2736 2.3055 2.3248 2.5034 2.5108 3.2573 3.2710 3.3250 3.3286 3.9555 3.9961 4.3933 4.4765 4.6862 4.7453 5.5020 5.5081 6.1844 6.1958 8.0035 8.0132 8.8796 8.9176 9.0929 9.1042 9.1992 9.2035 10.2783 10.2997 k = 0.3041 0.6081 0.2983 ( 6268 PWs) bands (ev): -5.8418 -5.8398 -5.3918 -5.3895 -4.5245 -4.5231 -4.3066 -4.2908 -2.2696 -2.2310 -2.1970 -2.1757 -2.1601 -2.1309 -2.1198 -1.9666 -1.6729 -1.6399 -1.5766 -1.5342 -1.5121 -1.4890 -1.4724 -1.4281 -1.4244 -1.3628 -1.3183 -1.2895 -0.5915 -0.5834 0.6994 0.7122 2.2550 2.2855 2.3101 2.3408 2.4914 2.4974 3.2427 3.2670 3.3151 3.3292 3.9215 3.9647 4.4040 4.4888 4.6664 4.7283 5.5191 5.5252 6.1901 6.2010 8.0225 8.0337 8.8990 8.9354 9.0732 9.0847 9.2308 9.2354 10.3171 10.3582 k = 0.2851 0.6024 0.3054 ( 6273 PWs) bands (ev): -5.8549 -5.8530 -5.3725 -5.3701 -4.5260 -4.5249 -4.3072 -4.2914 -2.2696 -2.2322 -2.1963 -2.1761 -2.1588 -2.1318 -2.1199 -1.9650 -1.6744 -1.6403 -1.5772 -1.5373 -1.5112 -1.4899 -1.4719 -1.4296 -1.4238 -1.3624 -1.3165 -1.2868 -0.6092 -0.6017 0.7197 0.7329 2.2450 2.2776 2.3320 2.3647 2.4760 2.4826 3.2236 3.2474 3.3160 3.3369 3.8867 3.9346 4.4118 4.4980 4.6547 4.7194 5.5333 5.5391 6.1917 6.2029 8.0489 8.0620 8.9130 8.9461 9.0341 9.0453 9.2902 9.2979 10.3470 10.4281 k = 0.2661 0.5968 0.3125 ( 6266 PWs) bands (ev): -5.8697 -5.8680 -5.3514 -5.3489 -4.5258 -4.5251 -4.3082 -4.2923 -2.2692 -2.2332 -2.1955 -2.1763 -2.1580 -2.1322 -2.1195 -1.9639 -1.6758 -1.6405 -1.5778 -1.5411 -1.5104 -1.4905 -1.4711 -1.4315 -1.4226 -1.3619 -1.3150 -1.2847 -0.6301 -0.6212 0.7415 0.7551 2.2375 2.2663 2.3573 2.3875 2.4580 2.4683 3.2033 3.2207 3.3215 3.3441 3.8548 3.9077 4.4171 4.5044 4.6500 4.7172 5.5445 5.5497 6.1887 6.2005 8.0822 8.0976 8.9234 8.9522 8.9924 9.0028 9.3631 9.3740 10.3761 10.4567 k = 0.2471 0.5912 0.3196 ( 6265 PWs) bands (ev): -5.8853 -5.8837 -5.3297 -5.3272 -4.5241 -4.5236 -4.3096 -4.2937 -2.2685 -2.2339 -2.1944 -2.1766 -2.1577 -2.1325 -2.1187 -1.9634 -1.6769 -1.6405 -1.5784 -1.5455 -1.5097 -1.4909 -1.4705 -1.4338 -1.4213 -1.3615 -1.3139 -1.2835 -0.6531 -0.6416 0.7647 0.7786 2.2317 2.2554 2.3796 2.4048 2.4393 2.4596 3.1807 3.1899 3.3287 3.3503 3.8288 3.8853 4.4203 4.5083 4.6515 4.7207 5.5526 5.5571 6.1806 6.1935 8.1219 8.1397 8.9311 8.9501 8.9573 8.9646 9.4451 9.4590 10.4053 10.4856 k = 0.2281 0.5856 0.3266 ( 6259 PWs) bands (ev): -5.9012 -5.8997 -5.3082 -5.3056 -4.5210 -4.5202 -4.3115 -4.2956 -2.2674 -2.2345 -2.1932 -2.1766 -2.1577 -2.1327 -2.1171 -1.9637 -1.6777 -1.6402 -1.5792 -1.5504 -1.5093 -1.4910 -1.4699 -1.4363 -1.4197 -1.3613 -1.3132 -1.2833 -0.6770 -0.6627 0.7893 0.8033 2.2268 2.2446 2.3874 2.4123 2.4272 2.4653 3.1514 3.1580 3.3375 3.3572 3.8100 3.8677 4.4222 4.5100 4.6582 4.7286 5.5576 5.5610 6.1672 6.1813 8.1672 8.1877 8.9160 8.9218 8.9443 8.9616 9.5340 9.5511 10.4341 10.5137 k = 0.2091 0.5800 0.3337 ( 6258 PWs) bands (ev): -5.9168 -5.9154 -5.2876 -5.2850 -4.5162 -4.5149 -4.3139 -4.2981 -2.2660 -2.2349 -2.1920 -2.1766 -2.1580 -2.1333 -2.1149 -1.9647 -1.6781 -1.6396 -1.5802 -1.5557 -1.5089 -1.4910 -1.4694 -1.4390 -1.4181 -1.3612 -1.3130 -1.2841 -0.7008 -0.6838 0.8151 0.8290 2.2219 2.2338 2.3748 2.3998 2.4415 2.4820 3.1137 3.1262 3.3478 3.3670 3.7983 3.8541 4.4237 4.5105 4.6693 4.7402 5.5593 5.5617 6.1484 6.1641 8.2172 8.2405 8.8865 8.8926 8.9526 8.9665 9.6287 9.6491 10.4620 10.5403 k = 0.1901 0.5743 0.3408 ( 6252 PWs) bands (ev): -5.9316 -5.9304 -5.2682 -5.2656 -4.5098 -4.5079 -4.3169 -4.3013 -2.2641 -2.2351 -2.1907 -2.1764 -2.1583 -2.1340 -2.1120 -1.9667 -1.6780 -1.6386 -1.5815 -1.5615 -1.5086 -1.4907 -1.4693 -1.4419 -1.4162 -1.3612 -1.3133 -1.2862 -0.7238 -0.7045 0.8419 0.8553 2.2153 2.2237 2.3551 2.3840 2.4608 2.5015 3.0729 3.0903 3.3603 3.3810 3.7922 3.8435 4.4258 4.5106 4.6837 4.7544 5.5578 5.5592 6.1247 6.1419 8.2706 8.2967 8.8629 8.8685 8.9643 8.9747 9.7277 9.7517 10.4872 10.5639 k = 0.1710 0.5687 0.3479 ( 6256 PWs) bands (ev): -5.9456 -5.9445 -5.2504 -5.2479 -4.5020 -4.4994 -4.3205 -4.3051 -2.2619 -2.2352 -2.1895 -2.1763 -2.1586 -2.1351 -2.1083 -1.9697 -1.6773 -1.6373 -1.5833 -1.5676 -1.5084 -1.4903 -1.4695 -1.4450 -1.4143 -1.3616 -1.3139 -1.2895 -0.7451 -0.7242 0.8691 0.8819 2.2053 2.2160 2.3338 2.3685 2.4792 2.5209 3.0315 3.0510 3.3758 3.3989 3.7894 3.8344 4.4295 4.5114 4.7005 4.7706 5.5531 5.5541 6.0967 6.1154 8.3263 8.3550 8.8452 8.8503 8.9789 8.9880 9.8295 9.8575 10.5067 10.5806 k = 0.1520 0.5631 0.3549 ( 6253 PWs) bands (ev): -5.9585 -5.9575 -5.2344 -5.2321 -4.4928 -4.4894 -4.3248 -4.3097 -2.2593 -2.2352 -2.1884 -2.1761 -2.1586 -2.1365 -2.1039 -1.9737 -1.6759 -1.6357 -1.5857 -1.5737 -1.5080 -1.4897 -1.4700 -1.4482 -1.4122 -1.3623 -1.3149 -1.2937 -0.7642 -0.7427 0.8964 0.9083 2.1934 2.2093 2.3124 2.3529 2.4963 2.5394 2.9910 3.0099 3.3947 3.4201 3.7874 3.8251 4.4356 4.5139 4.7191 4.7878 5.5454 5.5468 6.0655 6.0853 8.3825 8.4133 8.8332 8.8379 8.9969 9.0081 9.9318 9.9648 10.5137 10.5818 k = 0.1330 0.5575 0.3620 ( 6257 PWs) bands (ev): -5.9701 -5.9692 -5.2204 -5.2183 -4.4825 -4.4783 -4.3298 -4.3150 -2.2566 -2.2352 -2.1873 -2.1760 -2.1585 -2.1381 -2.0988 -1.9789 -1.6738 -1.6337 -1.5893 -1.5794 -1.5074 -1.4891 -1.4708 -1.4514 -1.4100 -1.3635 -1.3161 -1.2987 -0.7809 -0.7595 0.9232 0.9340 2.1816 2.2028 2.2914 2.3366 2.5123 2.5567 2.9528 2.9690 3.4168 3.4439 3.7842 3.8146 4.4447 4.5184 4.7386 4.8053 5.5355 5.5375 6.0323 6.0528 8.4373 8.4694 8.8262 8.8303 9.0202 9.0350 10.0310 10.0705 10.4989 10.5553 k = 0.1140 0.5518 0.3691 ( 6259 PWs) bands (ev): -5.9803 -5.9796 -5.2083 -5.2064 -4.4713 -4.4663 -4.3355 -4.3212 -2.2536 -2.2352 -2.1863 -2.1760 -2.1581 -2.1400 -2.0927 -1.9853 -1.6710 -1.6313 -1.5945 -1.5841 -1.5067 -1.4885 -1.4720 -1.4547 -1.4075 -1.3652 -1.3175 -1.3039 -0.7948 -0.7745 0.9488 0.9584 2.1711 2.1966 2.2708 2.3190 2.5278 2.5727 2.9176 2.9300 3.4416 3.4696 3.7780 3.8020 4.4570 4.5249 4.7584 4.8219 5.5242 5.5267 5.9987 6.0192 8.4889 8.5209 8.8235 8.8269 9.0500 9.0684 10.1191 10.1685 10.4620 10.5045 k = 0.0950 0.5462 0.3762 ( 6269 PWs) bands (ev): -5.9891 -5.9885 -5.1983 -5.1966 -4.4595 -4.4538 -4.3418 -4.3282 -2.2507 -2.2352 -2.1853 -2.1761 -2.1576 -2.1421 -2.0859 -1.9927 -1.6674 -1.6285 -1.6011 -1.5881 -1.5056 -1.4881 -1.4732 -1.4580 -1.4049 -1.3677 -1.3190 -1.3089 -0.8059 -0.7875 0.9724 0.9807 2.1625 2.1915 2.2508 2.3001 2.5431 2.5873 2.8858 2.8944 3.4685 3.4966 3.7680 3.7872 4.4721 4.5329 4.7780 4.8367 5.5124 5.5149 5.9665 5.9861 8.5353 8.5654 8.8242 8.8268 9.0866 9.1073 10.1763 10.2385 10.4280 10.4642 k = 0.0760 0.5406 0.3833 ( 6275 PWs) bands (ev): -5.9963 -5.9958 -5.1901 -5.1888 -4.4475 -4.4412 -4.3487 -4.3359 -2.2477 -2.2354 -2.1842 -2.1764 -2.1570 -2.1443 -2.0781 -2.0010 -1.6630 -1.6254 -1.6082 -1.5920 -1.5042 -1.4881 -1.4743 -1.4611 -1.4020 -1.3709 -1.3203 -1.3133 -0.8142 -0.7986 0.9935 1.0002 2.1567 2.1882 2.2317 2.2804 2.5587 2.6000 2.8570 2.8639 3.4967 3.5241 3.7539 3.7705 4.4891 4.5412 4.7969 4.8487 5.5009 5.5033 5.9375 5.9551 8.5747 8.6010 8.8276 8.8292 9.1286 9.1499 10.1762 10.2344 10.4469 10.4771 k = 0.0570 0.5350 0.3903 ( 6278 PWs) bands (ev): -6.0019 -6.0016 -5.1838 -5.1828 -4.4357 -4.4290 -4.3559 -4.3442 -2.2449 -2.2357 -2.1830 -2.1769 -2.1562 -2.1465 -2.0696 -2.0102 -1.6578 -1.6225 -1.6151 -1.5959 -1.5024 -1.4888 -1.4748 -1.4641 -1.3989 -1.3747 -1.3214 -1.3168 -0.8200 -0.8077 1.0110 1.0162 2.1540 2.1870 2.2143 2.2606 2.5742 2.6100 2.8321 2.8394 3.5252 3.5507 3.7366 3.7522 4.5066 4.5481 4.8146 4.8570 5.4907 5.4926 5.9134 5.9280 8.6060 8.6269 8.8325 8.8334 9.1729 9.1925 10.1352 10.1779 10.5042 10.5272 k = 0.0380 0.5293 0.3974 ( 6274 PWs) bands (ev): -6.0060 -6.0057 -5.1793 -5.1786 -4.4247 -4.4183 -4.3627 -4.3529 -2.2425 -2.2364 -2.1818 -2.1775 -2.1552 -2.1487 -2.0602 -2.0199 -1.6520 -1.6248 -1.6164 -1.6000 -1.5003 -1.4904 -1.4744 -1.4668 -1.3954 -1.3789 -1.3221 -1.3194 -0.8233 -0.8148 1.0245 1.0279 2.1549 2.1858 2.2019 2.2419 2.5891 2.6162 2.8132 2.8203 3.5525 3.5741 3.7188 3.7332 4.5230 4.5521 4.8305 4.8607 5.4827 5.4840 5.8959 5.9063 8.6290 8.6433 8.8375 8.8381 9.2142 9.2297 10.0888 10.1174 10.5576 10.5745 k = 0.0190 0.5237 0.4045 ( 6270 PWs) bands (ev): -6.0084 -6.0083 -5.1766 -5.1762 -4.4154 -4.4109 -4.3672 -4.3610 -2.2404 -2.2373 -2.1806 -2.1784 -2.1539 -2.1507 -2.0504 -2.0300 -1.6457 -1.6318 -1.6128 -1.6043 -1.4979 -1.4927 -1.4732 -1.4693 -1.3916 -1.3832 -1.3223 -1.3211 -0.8243 -0.8200 1.0331 1.0349 2.1593 2.1774 2.2026 2.2252 2.6024 2.6171 2.8024 2.8070 3.5761 3.5897 3.7057 3.7155 4.5369 4.5519 4.8438 4.8596 5.4776 5.4783 5.8860 5.8915 8.6439 8.6511 8.8413 8.8416 9.2457 9.2544 10.0568 10.0715 10.5929 10.6018 k = 0.0000 0.5181 0.4116 ( 6272 PWs) bands (ev): -6.0092 -6.0092 -5.1756 -5.1756 -4.4099 -4.4099 -4.3667 -4.3667 -2.2386 -2.2386 -2.1794 -2.1794 -2.1525 -2.1525 -2.0403 -2.0403 -1.6389 -1.6389 -1.6086 -1.6086 -1.4953 -1.4953 -1.4715 -1.4715 -1.3875 -1.3875 -1.3220 -1.3220 -0.8231 -0.8231 1.0366 1.0366 2.1671 2.1671 2.2118 2.2118 2.6123 2.6123 2.8005 2.8005 3.5906 3.5906 3.7042 3.7042 4.5467 4.5467 4.8538 4.8538 5.4761 5.4761 5.8846 5.8846 8.6512 8.6512 8.8428 8.8428 9.2604 9.2604 10.0500 10.0500 10.6074 10.6074 k = 0.0000 0.5181 0.4116 ( 6272 PWs) bands (ev): -6.0092 -6.0092 -5.1756 -5.1756 -4.4099 -4.4099 -4.3667 -4.3667 -2.2386 -2.2386 -2.1794 -2.1794 -2.1525 -2.1525 -2.0403 -2.0403 -1.6389 -1.6389 -1.6086 -1.6086 -1.4953 -1.4953 -1.4715 -1.4715 -1.3875 -1.3875 -1.3220 -1.3220 -0.8231 -0.8231 1.0366 1.0366 2.1671 2.1671 2.2118 2.2118 2.6123 2.6123 2.8005 2.8005 3.5906 3.5906 3.7042 3.7042 4.5467 4.5467 4.8538 4.8538 5.4761 5.4761 5.8846 5.8846 8.6512 8.6512 8.8428 8.8428 9.2604 9.2604 10.0500 10.0500 10.6074 10.6074 k = 0.0093 0.5060 0.4268 ( 6268 PWs) bands (ev): -6.0085 -6.0084 -5.1760 -5.1759 -4.4109 -4.4099 -4.3669 -4.3668 -2.2399 -2.2370 -2.1806 -2.1781 -2.1570 -2.1479 -2.0408 -2.0393 -1.6391 -1.6386 -1.6108 -1.6054 -1.4961 -1.4944 -1.4743 -1.4684 -1.3892 -1.3857 -1.3237 -1.3204 -0.8235 -0.8232 1.0308 1.0324 2.1611 2.1638 2.2069 2.2130 2.6171 2.6209 2.7951 2.8018 3.5938 3.5948 3.7090 3.7096 4.5464 4.5512 4.8530 4.8574 5.4755 5.4783 5.8816 5.8874 8.6514 8.6516 8.8354 8.8371 9.2583 9.2616 10.0564 10.0574 10.5889 10.5985 k = 0.0185 0.4939 0.4421 ( 6264 PWs) bands (ev): -6.0064 -6.0061 -5.1771 -5.1770 -4.4128 -4.4110 -4.3673 -4.3672 -2.2408 -2.2351 -2.1816 -2.1765 -2.1615 -2.1434 -2.0410 -2.0380 -1.6397 -1.6381 -1.6118 -1.6015 -1.4968 -1.4935 -1.4767 -1.4652 -1.3906 -1.3838 -1.3256 -1.3191 -0.8243 -0.8236 1.0152 1.0183 2.1453 2.1518 2.2000 2.2099 2.6350 2.6419 2.7864 2.7996 3.6042 3.6061 3.7235 3.7248 4.5502 4.5598 4.8550 4.8639 5.4764 5.4819 5.8784 5.8900 8.6523 8.6526 8.8155 8.8190 9.2554 9.2619 10.0758 10.0774 10.5466 10.5645 k = 0.0278 0.4818 0.4573 ( 6264 PWs) bands (ev): -6.0029 -6.0025 -5.1790 -5.1789 -4.4158 -4.4130 -4.3680 -4.3678 -2.2413 -2.2328 -2.1824 -2.1749 -2.1657 -2.1391 -2.0409 -2.0364 -1.6407 -1.6370 -1.6113 -1.5971 -1.4974 -1.4928 -1.4785 -1.4620 -1.3919 -1.3816 -1.3277 -1.3179 -0.8253 -0.8243 0.9906 0.9950 2.1205 2.1315 2.1909 2.2026 2.6644 2.6729 2.7764 2.7959 3.6217 3.6243 3.7464 3.7484 4.5579 4.5724 4.8600 4.8734 5.4788 5.4871 5.8750 5.8923 8.6537 8.6542 8.7852 8.7904 9.2516 9.2613 10.1053 10.1069 10.4871 10.5118 k = 0.0370 0.4697 0.4725 ( 6274 PWs) bands (ev): -5.9979 -5.9974 -5.1817 -5.1815 -4.4196 -4.4159 -4.3689 -4.3686 -2.2415 -2.2304 -2.1830 -2.1737 -2.1692 -2.1351 -2.0405 -2.0346 -1.6424 -1.6354 -1.6094 -1.5925 -1.4979 -1.4925 -1.4795 -1.4588 -1.3931 -1.3795 -1.3300 -1.3169 -0.8264 -0.8253 0.9580 0.9635 2.0886 2.1037 2.1784 2.1907 2.7026 2.7112 2.7677 2.7936 3.6460 3.6491 3.7760 3.7788 4.5694 4.5886 4.8680 4.8860 5.4829 5.4937 5.8711 5.8941 8.6555 8.6563 8.7472 8.7542 9.2468 9.2594 10.1402 10.1402 10.4173 10.4483 k = 0.0463 0.4576 0.4878 ( 6270 PWs) bands (ev): -5.9915 -5.9909 -5.1852 -5.1851 -4.4241 -4.4196 -4.3701 -4.3697 -2.2413 -2.2277 -2.1833 -2.1745 -2.1700 -2.1314 -2.0398 -2.0328 -1.6443 -1.6330 -1.6063 -1.5875 -1.4982 -1.4927 -1.4793 -1.4556 -1.3941 -1.3772 -1.3324 -1.3161 -0.8274 -0.8262 0.9187 0.9250 2.0513 2.0696 2.1611 2.1735 2.7456 2.7518 2.7649 2.7985 3.6767 3.6803 3.8103 3.8141 4.5844 4.6082 4.8792 4.9016 5.4887 5.5018 5.8665 5.8952 8.6572 8.6582 8.7049 8.7137 9.2409 9.2562 10.1668 10.1711 10.3472 10.3851 k = 0.0556 0.4455 0.5030 ( 6274 PWs) bands (ev): -5.9838 -5.9830 -5.1897 -5.1896 -4.4293 -4.4241 -4.3716 -4.3711 -2.2407 -2.2249 -2.1833 -2.1772 -2.1685 -2.1279 -2.0391 -2.0309 -1.6463 -1.6300 -1.6023 -1.5825 -1.4984 -1.4935 -1.4780 -1.4527 -1.3951 -1.3751 -1.3349 -1.3154 -0.8279 -0.8269 0.8740 0.8808 2.0100 2.0306 2.1382 2.1503 2.7615 2.7804 2.8000 2.8249 3.7135 3.7176 3.8471 3.8523 4.6024 4.6308 4.8936 4.9206 5.4961 5.5114 5.8610 5.8952 8.6504 8.6534 8.6702 8.6766 9.2334 9.2512 10.1624 10.1682 10.3054 10.3457 k = 0.0648 0.4333 0.5183 ( 6274 PWs) bands (ev): -5.9746 -5.9737 -5.1952 -5.1951 -4.4349 -4.4291 -4.3733 -4.3727 -2.2398 -2.2220 -2.1831 -2.1796 -2.1666 -2.1247 -2.0383 -2.0293 -1.6482 -1.6263 -1.5977 -1.5775 -1.4984 -1.4946 -1.4759 -1.4498 -1.3960 -1.3732 -1.3375 -1.3149 -0.8275 -0.8269 0.8249 0.8319 1.9657 1.9878 2.1092 2.1206 2.7708 2.7977 2.8520 2.8720 3.7561 3.7609 3.8849 3.8916 4.6231 4.6559 4.9114 4.9429 5.5053 5.5225 5.8543 5.8940 8.6099 8.6207 8.6685 8.6687 9.2239 9.2438 10.1055 10.1084 10.3169 10.3459 k = 0.0741 0.4212 0.5335 ( 6272 PWs) bands (ev): -5.9641 -5.9630 -5.2017 -5.2017 -4.4409 -4.4344 -4.3753 -4.3746 -2.2386 -2.2192 -2.1826 -2.1814 -2.1646 -2.1218 -2.0375 -2.0279 -1.6500 -1.6221 -1.5924 -1.5725 -1.4984 -1.4957 -1.4732 -1.4473 -1.3969 -1.3716 -1.3402 -1.3145 -0.8260 -0.8259 0.7725 0.7796 1.9191 1.9423 2.0745 2.0849 2.7876 2.8182 2.9057 2.9246 3.8041 3.8097 3.9221 3.9308 4.6461 4.6831 4.9326 4.9685 5.5163 5.5351 5.8460 5.8911 8.5667 8.5800 8.6705 8.6714 9.2118 9.2333 10.0174 10.0258 10.3435 10.3470 k = 0.0833 0.4091 0.5488 ( 6278 PWs) bands (ev): -5.9522 -5.9510 -5.2095 -5.2094 -4.4469 -4.4400 -4.3775 -4.3767 -2.2371 -2.2166 -2.1824 -2.1819 -2.1625 -2.1191 -2.0369 -2.0270 -1.6514 -1.6174 -1.5869 -1.5677 -1.4982 -1.4968 -1.4700 -1.4450 -1.3979 -1.3705 -1.3429 -1.3145 -0.8237 -0.8226 0.7178 0.7246 1.8711 1.8948 2.0348 2.0441 2.8121 2.8449 2.9594 2.9782 3.8569 3.8638 3.9576 3.9687 4.6710 4.7119 4.9572 4.9973 5.5290 5.5490 5.8359 5.8862 8.5262 8.5416 8.6732 8.6745 9.1963 9.2187 9.9217 9.9324 10.2913 10.3372 k = 0.0926 0.3970 0.5640 ( 6278 PWs) bands (ev): -5.9390 -5.9377 -5.2185 -5.2183 -4.4529 -4.4457 -4.3799 -4.3791 -2.2353 -2.2143 -2.1825 -2.1809 -2.1604 -2.1165 -2.0364 -2.0266 -1.6524 -1.6123 -1.5810 -1.5629 -1.4979 -1.4978 -1.4664 -1.4429 -1.3989 -1.3700 -1.3457 -1.3148 -0.8198 -0.8173 0.6614 0.6678 1.8223 1.8463 1.9913 1.9994 2.8436 2.8779 3.0121 3.0312 3.9136 3.9222 3.9908 4.0051 4.6974 4.7419 4.9851 5.0292 5.5435 5.5643 5.8239 5.8792 8.4901 8.5076 8.6757 8.6772 9.1764 9.1989 9.8231 9.8345 10.2191 10.2723 k = 0.1019 0.3849 0.5792 ( 6274 PWs) bands (ev): -5.9246 -5.9232 -5.2288 -5.2286 -4.4587 -4.4512 -4.3827 -4.3818 -2.2332 -2.2123 -2.1818 -2.1796 -2.1582 -2.1141 -2.0363 -2.0269 -1.6530 -1.6071 -1.5749 -1.5584 -1.4985 -1.4976 -1.4627 -1.4411 -1.4001 -1.3702 -1.3485 -1.3156 -0.8137 -0.8095 0.6040 0.6097 1.7735 1.7974 1.9449 1.9519 2.8810 2.9166 3.0631 3.0827 3.9715 3.9831 4.0225 4.0413 4.7250 4.7726 5.0161 5.0638 5.5596 5.5807 5.8097 5.8698 8.4591 8.4787 8.6776 8.6792 9.1513 9.1728 9.7233 9.7347 10.1510 10.2050 k = 0.1111 0.3728 0.5945 ( 6272 PWs) bands (ev): -5.9089 -5.9074 -5.2406 -5.2402 -4.4640 -4.4564 -4.3856 -4.3848 -2.2309 -2.2106 -2.1803 -2.1781 -2.1560 -2.1119 -2.0365 -2.0277 -1.6532 -1.6017 -1.5687 -1.5540 -1.4992 -1.4971 -1.4589 -1.4395 -1.4015 -1.3711 -1.3513 -1.3170 -0.8051 -0.7988 0.5460 0.5509 1.7253 1.7488 1.8968 1.9027 2.9235 2.9602 3.1117 3.1320 4.0237 4.0341 4.0636 4.0832 4.7538 4.8038 5.0498 5.1006 5.5771 5.5980 5.7934 5.8580 8.4339 8.4556 8.6786 8.6801 9.1200 9.1394 9.6234 9.6343 10.0914 10.1447 k = 0.1204 0.3607 0.6097 ( 6278 PWs) bands (ev): -5.8920 -5.8904 -5.2538 -5.2532 -4.4688 -4.4612 -4.3889 -4.3880 -2.2284 -2.2093 -2.1781 -2.1764 -2.1537 -2.1097 -2.0371 -2.0293 -1.6528 -1.5965 -1.5624 -1.5498 -1.4997 -1.4966 -1.4552 -1.4382 -1.4032 -1.3729 -1.3541 -1.3191 -0.7936 -0.7849 0.4878 0.4917 1.6783 1.7012 1.8479 1.8528 2.9699 3.0078 3.1579 3.1787 4.0609 4.0618 4.1261 4.1386 4.7839 4.8352 5.0855 5.1390 5.5957 5.6158 5.7753 5.8439 8.4147 8.4385 8.6785 8.6796 9.0821 9.0981 9.5240 9.5341 10.0426 10.0940 k = 0.1296 0.3486 0.6250 ( 6272 PWs) bands (ev): -5.8740 -5.8722 -5.2685 -5.2677 -4.4730 -4.4654 -4.3924 -4.3916 -2.2257 -2.2081 -2.1753 -2.1745 -2.1513 -2.1077 -2.0381 -2.0314 -1.6519 -1.5914 -1.5561 -1.5456 -1.5000 -1.4960 -1.4517 -1.4371 -1.4051 -1.3753 -1.3569 -1.3221 -0.7789 -0.7678 0.4297 0.4324 1.6329 1.6552 1.7989 1.8031 3.0193 3.0583 3.2014 3.2228 4.0818 4.0863 4.1930 4.2034 4.8155 4.8670 5.1228 5.1784 5.6151 5.6335 5.7559 5.8278 8.4015 8.4274 8.6769 8.6772 9.0377 9.0492 9.4259 9.4350 10.0056 10.0541 k = 0.1389 0.3365 0.6402 ( 6274 PWs) bands (ev): -5.8548 -5.8529 -5.2846 -5.2836 -4.4764 -4.4689 -4.3961 -4.3954 -2.2229 -2.2071 -2.1724 -2.1723 -2.1487 -2.1057 -2.0397 -2.0341 -1.6506 -1.5866 -1.5499 -1.5415 -1.5003 -1.4955 -1.4487 -1.4362 -1.4073 -1.3783 -1.3599 -1.3259 -0.7608 -0.7472 0.3718 0.3731 1.5898 1.6112 1.7506 1.7541 3.0706 3.1110 3.2423 3.2643 4.0982 4.1056 4.2584 4.2702 4.8496 4.8996 5.1608 5.2180 5.6346 5.6501 5.7363 5.8103 8.3941 8.4219 8.6727 8.6736 8.9875 8.9939 9.3294 9.3373 9.9804 10.0253 k = 0.1481 0.3244 0.6555 ( 6270 PWs) bands (ev): -5.8346 -5.8326 -5.3021 -5.3009 -4.4789 -4.4717 -4.4001 -4.3995 -2.2200 -2.2061 -2.1702 -2.1692 -2.1458 -2.1037 -2.0417 -2.0372 -1.6487 -1.5822 -1.5438 -1.5373 -1.5005 -1.4948 -1.4460 -1.4353 -1.4097 -1.3819 -1.3629 -1.3306 -0.7392 -0.7232 0.3140 0.3143 1.5494 1.5698 1.7034 1.7065 3.1230 3.1648 3.2808 3.3031 4.1119 4.1212 4.3189 4.3345 4.8874 4.9339 5.1989 5.2572 5.6532 5.6626 5.7191 5.7921 8.3920 8.4217 8.6656 8.6683 8.9331 8.9340 9.2353 9.2418 9.9665 10.0075 k = 0.1574 0.3123 0.6707 ( 6268 PWs) bands (ev): -5.8134 -5.8113 -5.3211 -5.3197 -4.4806 -4.4737 -4.4043 -4.4038 -2.2170 -2.2051 -2.1678 -2.1662 -2.1426 -2.1019 -2.0443 -2.0409 -1.6464 -1.5782 -1.5379 -1.5330 -1.5006 -1.4942 -1.4440 -1.4346 -1.4122 -1.3859 -1.3661 -1.3360 -0.7140 -0.6959 0.2553 0.2572 1.5122 1.5314 1.6579 1.6607 3.1752 3.2186 3.3170 3.3395 4.1240 4.1346 4.3715 4.3928 4.9302 4.9711 5.2365 5.2954 5.6641 5.6695 5.7115 5.7744 8.3946 8.4260 8.6556 8.6606 8.8722 8.8768 9.1440 9.1490 9.9626 9.9996 k = 0.1667 0.3001 0.6859 ( 6262 PWs) bands (ev): -5.7913 -5.7891 -5.3413 -5.3397 -4.4814 -4.4748 -4.4088 -4.4084 -2.2140 -2.2040 -2.1654 -2.1634 -2.1390 -2.1001 -2.0474 -2.0448 -1.6436 -1.5747 -1.5322 -1.5285 -1.5007 -1.4936 -1.4425 -1.4340 -1.4147 -1.3902 -1.3694 -1.3420 -0.6854 -0.6653 0.1969 0.2007 1.4785 1.4964 1.6146 1.6172 3.2261 3.2714 3.3511 3.3734 4.1353 4.1471 4.4134 4.4418 4.9795 5.0129 5.2728 5.3321 5.6517 5.6811 5.7162 5.7593 8.4013 8.4340 8.6423 8.6499 8.8117 8.8211 9.0562 9.0596 9.9674 10.0007 k = 0.1759 0.2880 0.7012 ( 6264 PWs) bands (ev): -5.7683 -5.7660 -5.3628 -5.3610 -4.4813 -4.4751 -4.4134 -4.4132 -2.2111 -2.2030 -2.1629 -2.1609 -2.1350 -2.0985 -2.0510 -2.0489 -1.6406 -1.5717 -1.5268 -1.5240 -1.5007 -1.4930 -1.4418 -1.4333 -1.4172 -1.3946 -1.3728 -1.3484 -0.6533 -0.6318 0.1390 0.1446 1.4486 1.4652 1.5737 1.5763 3.2745 3.3220 3.3834 3.4050 4.1466 4.1597 4.4429 4.4784 5.0355 5.0607 5.3075 5.3670 5.6341 5.6847 5.7239 5.7495 8.4112 8.4448 8.6251 8.6349 8.7561 8.7691 8.9725 8.9743 9.9794 10.0093 k = 0.1852 0.2759 0.7164 ( 6268 PWs) bands (ev): -5.7445 -5.7421 -5.3854 -5.3834 -4.4804 -4.4746 -4.4182 -4.4182 -2.2084 -2.2019 -2.1604 -2.1589 -2.1306 -2.0970 -2.0550 -2.0532 -1.6374 -1.5691 -1.5219 -1.5195 -1.5006 -1.4925 -1.4418 -1.4327 -1.4195 -1.3990 -1.3762 -1.3551 -0.6181 -0.5956 0.0815 0.0891 1.4229 1.4381 1.5357 1.5384 3.3189 3.3690 3.4140 3.4344 4.1591 4.1735 4.4594 4.5012 5.0976 5.1146 5.3400 5.3998 5.6162 5.6788 5.7294 5.7459 8.4236 8.4576 8.6035 8.6134 8.7102 8.7236 8.8937 8.8938 9.9974 10.0241 k = 0.1944 0.2638 0.7317 ( 6270 PWs) bands (ev): -5.7201 -5.7176 -5.4090 -5.4068 -4.4787 -4.4733 -4.4233 -4.4231 -2.2058 -2.2009 -2.1580 -2.1572 -2.1258 -2.0956 -2.0595 -2.0573 -1.6341 -1.5669 -1.5175 -1.5152 -1.5002 -1.4919 -1.4426 -1.4319 -1.4214 -1.4030 -1.3795 -1.3619 -0.5799 -0.5568 0.0246 0.0342 1.4015 1.4153 1.5008 1.5038 3.3582 3.4114 3.4429 3.4613 4.1736 4.1897 4.4636 4.5100 5.1638 5.1739 5.3700 5.4304 5.5995 5.6668 5.7304 5.7441 8.4377 8.4714 8.5781 8.5848 8.6770 8.6863 8.8190 8.8206 10.0201 10.0439 k = 0.2037 0.2517 0.7469 ( 6270 PWs) bands (ev): -5.6950 -5.6924 -5.4334 -5.4311 -4.4763 -4.4713 -4.4286 -4.4281 -2.2035 -2.2000 -2.1558 -2.1556 -2.1207 -2.0944 -2.0643 -2.0613 -1.6309 -1.5651 -1.5138 -1.5115 -1.4991 -1.4913 -1.4440 -1.4312 -1.4229 -1.4065 -1.3825 -1.3686 -0.5389 -0.5157 -0.0318 -0.0202 1.3846 1.3971 1.4694 1.4727 3.3914 3.4480 3.4697 3.4856 4.1910 4.2090 4.4571 4.5061 5.2316 5.2365 5.3975 5.4591 5.5845 5.6529 5.7258 5.7392 8.4527 8.4851 8.5515 8.5537 8.6537 8.6564 8.7513 8.7544 10.0464 10.0675 k = 0.2130 0.2396 0.7622 ( 6278 PWs) bands (ev): -5.6693 -5.6668 -5.4586 -5.4562 -4.4732 -4.4686 -4.4339 -4.4332 -2.2015 -2.1992 -2.1547 -2.1535 -2.1153 -2.0934 -2.0695 -2.0649 -1.6279 -1.5637 -1.5109 -1.5089 -1.4972 -1.4907 -1.4461 -1.4305 -1.4241 -1.4093 -1.3852 -1.3750 -0.4955 -0.4726 -0.0876 -0.0738 1.3724 1.3835 1.4415 1.4455 3.4182 3.4783 3.4935 3.5065 4.2118 4.2321 4.4417 4.4915 5.2978 5.2993 5.4223 5.4863 5.5713 5.6388 5.7148 5.7286 8.4679 8.4970 8.5272 8.5279 8.6315 8.6353 8.6923 8.6964 10.0752 10.0939 k = 0.2222 0.2275 0.7774 ( 6276 PWs) bands (ev): -5.6433 -5.6407 -5.4843 -5.4818 -4.4697 -4.4654 -4.4392 -4.4382 -2.1998 -2.1986 -2.1539 -2.1516 -2.1097 -2.0926 -2.0749 -2.0680 -1.6253 -1.5626 -1.5088 -1.5075 -1.4945 -1.4901 -1.4484 -1.4298 -1.4250 -1.4110 -1.3874 -1.3808 -0.4499 -0.4278 -0.1426 -0.1267 1.3649 1.3746 1.4176 1.4223 3.4388 3.5022 3.5132 3.5231 4.2363 4.2590 4.4193 4.4686 5.3587 5.3589 5.4446 5.5128 5.5601 5.6257 5.6974 5.7113 8.4821 8.4988 8.5105 8.5160 8.6091 8.6180 8.6454 8.6487 10.1056 10.1222 k = 0.2315 0.2154 0.7926 ( 6278 PWs) bands (ev): -5.6169 -5.6143 -5.5105 -5.5079 -4.4658 -4.4617 -4.4443 -4.4432 -2.1987 -2.1981 -2.1533 -2.1501 -2.1040 -2.0921 -2.0806 -2.0703 -1.6232 -1.5619 -1.5075 -1.5069 -1.4917 -1.4894 -1.4506 -1.4294 -1.4256 -1.4117 -1.3890 -1.3857 -0.4023 -0.3815 -0.1968 -0.1786 1.3622 1.3703 1.3977 1.4034 3.4533 3.5202 3.5278 3.5344 4.2642 4.2888 4.3918 4.4404 5.4089 5.4096 5.4647 5.5403 5.5520 5.6145 5.6748 5.6873 8.4914 8.4924 8.5024 8.5175 8.5878 8.5983 8.6142 8.6172 10.1367 10.1513 k = 0.2407 0.2033 0.8079 ( 6270 PWs) bands (ev): -5.5903 -5.5877 -5.5370 -5.5343 -4.4618 -4.4577 -4.4489 -4.4480 -2.1979 -2.1977 -2.1530 -2.1491 -2.0981 -2.0917 -2.0863 -2.0718 -1.6219 -1.5614 -1.5068 -1.5066 -1.4896 -1.4890 -1.4522 -1.4292 -1.4259 -1.4116 -1.3900 -1.3891 -0.3531 -0.3347 -0.2500 -0.2287 1.3641 1.3705 1.3822 1.3893 3.4620 3.5324 3.5368 3.5398 4.2944 4.3189 4.3614 4.4108 5.4423 5.4430 5.4820 5.5498 5.5689 5.6073 5.6513 5.6588 8.4912 8.4954 8.5038 8.5113 8.5713 8.5866 8.5937 8.6025 10.1676 10.1805 k = 0.2500 0.1912 0.8231 ( 6276 PWs) bands (ev): -5.5646 -5.5627 -5.5627 -5.5593 -4.4596 -4.4546 -4.4514 -4.4514 -2.1977 -2.1976 -2.1529 -2.1488 -2.0928 -2.0916 -2.0916 -2.0723 -1.6215 -1.5612 -1.5066 -1.5066 -1.4888 -1.4888 -1.4528 -1.4291 -1.4261 -1.4115 -1.3904 -1.3903 -0.3046 -0.2998 -0.2998 -0.2648 1.3693 1.3725 1.3725 1.3827 3.4649 3.5384 3.5398 3.5398 4.3194 4.3362 4.3362 4.3935 5.4540 5.4540 5.4894 5.5518 5.5853 5.6074 5.6395 5.6395 8.4976 8.4977 8.5011 8.5033 8.5662 8.5861 8.5861 8.5957 10.1929 10.2040 k = 0.2500 0.1912 0.8231 ( 6276 PWs) bands (ev): -5.5646 -5.5627 -5.5627 -5.5593 -4.4596 -4.4546 -4.4514 -4.4514 -2.1977 -2.1976 -2.1529 -2.1488 -2.0928 -2.0916 -2.0916 -2.0723 -1.6215 -1.5612 -1.5066 -1.5066 -1.4888 -1.4888 -1.4528 -1.4291 -1.4261 -1.4115 -1.3904 -1.3903 -0.3046 -0.2998 -0.2998 -0.2648 1.3693 1.3725 1.3725 1.3827 3.4649 3.5384 3.5398 3.5398 4.3194 4.3362 4.3362 4.3935 5.4540 5.4540 5.4894 5.5518 5.5853 5.6074 5.6395 5.6395 8.4976 8.4977 8.5011 8.5033 8.5662 8.5861 8.5861 8.5957 10.1930 10.2047 k = 0.2632 0.2012 0.8105 ( 6266 PWs) bands (ev): -5.5786 -5.5761 -5.5486 -5.5460 -4.4604 -4.4561 -4.4503 -4.4500 -2.1983 -2.1969 -2.1531 -2.1490 -2.0952 -2.0935 -2.0872 -2.0720 -1.6215 -1.5612 -1.5098 -1.5036 -1.4913 -1.4865 -1.4527 -1.4300 -1.4250 -1.4112 -1.3912 -1.3887 -0.3327 -0.3167 -0.2727 -0.2488 1.3683 1.3756 1.3770 1.3867 3.4597 3.5304 3.5318 3.5382 4.3064 4.3316 4.3536 4.4048 5.4462 5.4556 5.4864 5.5460 5.5873 5.6081 5.6422 5.6512 8.4538 8.4696 8.4842 8.4945 8.5942 8.5981 8.6204 8.6206 10.1779 10.1920 k = 0.2763 0.2113 0.7978 ( 6270 PWs) bands (ev): -5.5921 -5.5897 -5.5350 -5.5326 -4.4622 -4.4583 -4.4481 -4.4477 -2.1990 -2.1961 -2.1537 -2.1495 -2.0982 -2.0958 -2.0819 -2.0715 -1.6216 -1.5611 -1.5135 -1.5011 -1.4936 -1.4852 -1.4524 -1.4314 -1.4235 -1.4106 -1.3912 -1.3861 -0.3625 -0.3441 -0.2451 -0.2241 1.3726 1.3831 1.3867 1.3965 3.4435 3.5066 3.5149 3.5301 4.2877 4.3171 4.3868 4.4340 5.4342 5.4506 5.4800 5.5318 5.5967 5.6130 5.6535 5.6704 8.3879 8.4072 8.4561 8.4697 8.6362 8.6396 8.6713 8.6724 10.1563 10.1725 k = 0.2895 0.2214 0.7851 ( 6277 PWs) bands (ev): -5.6042 -5.6019 -5.5230 -5.5207 -4.4642 -4.4605 -4.4456 -4.4454 -2.1998 -2.1953 -2.1547 -2.1503 -2.1014 -2.0983 -2.0762 -2.0709 -1.6217 -1.5610 -1.5176 -1.5001 -1.4948 -1.4849 -1.4518 -1.4326 -1.4221 -1.4100 -1.3901 -1.3825 -0.3909 -0.3720 -0.2195 -0.2000 1.3830 1.3960 1.4002 1.4103 3.4156 3.4703 3.4927 3.5157 4.2703 4.2999 4.4248 4.4705 5.4203 5.4402 5.4732 5.5163 5.6111 5.6236 5.6686 5.6915 8.3170 8.3375 8.4265 8.4406 8.6806 8.6880 8.7292 8.7298 10.1336 10.1515 k = 0.3026 0.2314 0.7725 ( 6277 PWs) bands (ev): -5.6149 -5.6127 -5.5125 -5.5105 -4.4660 -4.4624 -4.4434 -4.4431 -2.2004 -2.1943 -2.1559 -2.1514 -2.1047 -2.1010 -2.0703 -2.0703 -1.6219 -1.5609 -1.5221 -1.5013 -1.4942 -1.4854 -1.4510 -1.4333 -1.4210 -1.4095 -1.3880 -1.3780 -0.4168 -0.3984 -0.1960 -0.1776 1.3986 1.4138 1.4174 1.4276 3.3773 3.4256 3.4672 3.4945 4.2558 4.2833 4.4625 4.5074 5.4057 5.4263 5.4671 5.5023 5.6278 5.6383 5.6868 5.7137 8.2443 8.2650 8.3973 8.4111 8.7276 8.7378 8.7894 8.7897 10.1108 10.1302 k = 0.3158 0.2415 0.7598 ( 6276 PWs) bands (ev): -5.6239 -5.6219 -5.5037 -5.5019 -4.4676 -4.4641 -4.4416 -4.4409 -2.2010 -2.1933 -2.1574 -2.1526 -2.1081 -2.1039 -2.0699 -2.0646 -1.6222 -1.5608 -1.5268 -1.5034 -1.4931 -1.4866 -1.4499 -1.4336 -1.4204 -1.4094 -1.3850 -1.3728 -0.4393 -0.4221 -0.1749 -0.1574 1.4187 1.4356 1.4380 1.4483 3.3316 3.3753 3.4381 3.4667 4.2450 4.2689 4.4960 4.5405 5.3913 5.4110 5.4619 5.4905 5.6448 5.6534 5.7097 5.7378 8.1715 8.1917 8.3691 8.3824 8.7759 8.7886 8.8501 8.8515 10.0882 10.1095 k = 0.3289 0.2515 0.7471 ( 6272 PWs) bands (ev): -5.6315 -5.6295 -5.4966 -5.4950 -4.4690 -4.4655 -4.4402 -4.4391 -2.2015 -2.1924 -2.1589 -2.1539 -2.1116 -2.1069 -2.0695 -2.0591 -1.6224 -1.5610 -1.5317 -1.5057 -1.4923 -1.4881 -1.4486 -1.4335 -1.4200 -1.4094 -1.3815 -1.3672 -0.4574 -0.4420 -0.1562 -0.1396 1.4423 1.4608 1.4620 1.4721 3.2816 3.3221 3.4051 3.4329 4.2378 4.2571 4.5226 4.5669 5.3776 5.3957 5.4576 5.4809 5.6599 5.6652 5.7391 5.7651 8.1005 8.1196 8.3422 8.3550 8.8251 8.8400 8.9112 8.9140 10.0662 10.0895 k = 0.3421 0.2616 0.7345 ( 6272 PWs) bands (ev): -5.6374 -5.6356 -5.4912 -5.4898 -4.4701 -4.4666 -4.4393 -4.4377 -2.2019 -2.1915 -2.1605 -2.1554 -2.1151 -2.1102 -2.0694 -2.0542 -1.6227 -1.5616 -1.5364 -1.5080 -1.4919 -1.4899 -1.4473 -1.4331 -1.4199 -1.4097 -1.3779 -1.3616 -0.4703 -0.4571 -0.1400 -0.1243 1.4687 1.4883 1.4889 1.4988 3.2297 3.2678 3.3684 3.3939 4.2342 4.2481 4.5410 4.5851 5.3652 5.3810 5.4542 5.4732 5.6714 5.6726 5.7745 5.7958 8.0332 8.0507 8.3166 8.3289 8.8747 8.8916 8.9724 8.9765 10.0447 10.0704 k = 0.3553 0.2717 0.7218 ( 6268 PWs) bands (ev): -5.6417 -5.6400 -5.4877 -5.4865 -4.4709 -4.4674 -4.4389 -4.4368 -2.2021 -2.1906 -2.1621 -2.1569 -2.1186 -2.1138 -2.0693 -2.0499 -1.6230 -1.5632 -1.5405 -1.5103 -1.4919 -1.4918 -1.4459 -1.4325 -1.4200 -1.4100 -1.3745 -1.3564 -0.4774 -0.4667 -0.1264 -0.1117 1.4972 1.5172 1.5182 1.5280 3.1778 3.2139 3.3287 3.3510 4.2334 4.2415 4.5504 4.5942 5.3542 5.3675 5.4518 5.4672 5.6759 5.6786 5.8130 5.8287 7.9718 7.9870 8.2924 8.3043 8.9244 8.9431 9.0333 9.0387 10.0233 10.0518 k = 0.3684 0.2817 0.7091 ( 6274 PWs) bands (ev): -5.6443 -5.6428 -5.4859 -5.4850 -4.4714 -4.4679 -4.4389 -4.4364 -2.2022 -2.1900 -2.1635 -2.1585 -2.1222 -2.1178 -2.0693 -2.0466 -1.6232 -1.5662 -1.5434 -1.5126 -1.4937 -1.4923 -1.4447 -1.4319 -1.4202 -1.4104 -1.3714 -1.3519 -0.4780 -0.4700 -0.1155 -0.1017 1.5270 1.5470 1.5493 1.5589 3.1274 3.1618 3.2870 3.3056 4.2349 4.2370 4.5509 4.5944 5.3450 5.3556 5.4503 5.4627 5.6756 5.6818 5.8511 5.8612 7.9185 7.9311 8.2696 8.2811 8.9739 8.9944 9.0933 9.1000 10.0015 10.0334 k = 0.3816 0.2918 0.6965 ( 6278 PWs) bands (ev): -5.6453 -5.6439 -5.4861 -5.4853 -4.4715 -4.4681 -4.4395 -4.4366 -2.2022 -2.1897 -2.1646 -2.1601 -2.1257 -2.1220 -2.0693 -2.0442 -1.6234 -1.5707 -1.5448 -1.5148 -1.4955 -1.4929 -1.4436 -1.4313 -1.4203 -1.4109 -1.3689 -1.3486 -0.4720 -0.4665 -0.1073 -0.0945 1.5576 1.5771 1.5814 1.5906 3.0797 3.1126 3.2443 3.2589 4.2340 4.2380 4.5432 4.5862 5.3378 5.3456 5.4497 5.4596 5.6722 5.6813 5.8853 5.8899 7.8761 7.8855 8.2482 8.2595 9.0231 9.0451 9.1521 9.1599 9.9789 10.0145 k = 0.3947 0.3018 0.6838 ( 6281 PWs) bands (ev): -5.6446 -5.6433 -5.4881 -5.4876 -4.4713 -4.4679 -4.4405 -4.4373 -2.2021 -2.1898 -2.1653 -2.1616 -2.1292 -2.1266 -2.0692 -2.0428 -1.6236 -1.5764 -1.5451 -1.5170 -1.4970 -1.4937 -1.4427 -1.4312 -1.4203 -1.4113 -1.3670 -1.3465 -0.4592 -0.4561 -0.1017 -0.0900 1.5882 1.6069 1.6137 1.6222 3.0360 3.0675 3.2017 3.2121 4.2321 4.2419 4.5278 4.5703 5.3326 5.3378 5.4500 5.4575 5.6663 5.6778 5.9114 5.9121 7.8468 7.8528 8.2282 8.2395 9.0718 9.0950 9.2088 9.2176 9.9549 9.9947 k = 0.4079 0.3119 0.6711 ( 6286 PWs) bands (ev): -5.6421 -5.6410 -5.4921 -5.4917 -4.4708 -4.4674 -4.4419 -4.4385 -2.2019 -2.1903 -2.1655 -2.1632 -2.1326 -2.1314 -2.0690 -2.0426 -1.6236 -1.5826 -1.5447 -1.5192 -1.4984 -1.4946 -1.4421 -1.4316 -1.4200 -1.4116 -1.3655 -1.3457 -0.4397 -0.4385 -0.0988 -0.0881 1.6182 1.6359 1.6452 1.6528 2.9974 3.0275 3.1603 3.1664 4.2308 4.2461 4.5057 4.5476 5.3296 5.3323 5.4509 5.4561 5.6583 5.6722 5.9225 5.9281 7.8327 7.8352 8.2097 8.2209 9.1196 9.1439 9.2628 9.2722 9.9290 9.9732 k = 0.4211 0.3220 0.6585 ( 6282 PWs) bands (ev): -5.6380 -5.6370 -5.4981 -5.4979 -4.4699 -4.4666 -4.4437 -4.4401 -2.2015 -2.1912 -2.1652 -2.1647 -2.1364 -2.1360 -2.0687 -2.0433 -1.6236 -1.5891 -1.5438 -1.5215 -1.4994 -1.4954 -1.4417 -1.4326 -1.4192 -1.4119 -1.3643 -1.3460 -0.4142 -0.4136 -0.0986 -0.0890 1.6469 1.6632 1.6751 1.6816 2.9648 2.9935 3.1210 3.1227 4.2298 4.2503 4.4776 4.5189 5.3288 5.3294 5.4518 5.4547 5.6494 5.6654 5.9213 5.9312 7.8343 7.8352 8.1927 8.2039 9.1664 9.1915 9.3128 9.3226 9.9012 9.9499 k = 0.4342 0.3320 0.6458 ( 6284 PWs) bands (ev): -5.6321 -5.6312 -5.5061 -5.5060 -4.4687 -4.4654 -4.4458 -4.4421 -2.2012 -2.1925 -2.1661 -2.1645 -2.1415 -2.1392 -2.0682 -2.0450 -1.6235 -1.5955 -1.5428 -1.5239 -1.5002 -1.4963 -1.4418 -1.4342 -1.4180 -1.4120 -1.3634 -1.3472 -0.3833 -0.3816 -0.1011 -0.0925 1.6737 1.6882 1.7026 1.7078 2.9393 2.9665 3.0820 3.0845 4.2288 4.2540 4.4443 4.4850 5.3287 5.3300 5.4516 5.4523 5.6408 5.6589 5.9066 5.9203 7.8502 7.8543 8.1771 8.1885 9.2119 9.2375 9.3573 9.3672 9.8723 9.9253 k = 0.4474 0.3421 0.6331 ( 6280 PWs) bands (ev): -5.6245 -5.6237 -5.5161 -5.5161 -4.4671 -4.4639 -4.4480 -4.4443 -2.2009 -2.1941 -2.1673 -2.1635 -2.1466 -2.1424 -2.0676 -2.0476 -1.6233 -1.6017 -1.5416 -1.5263 -1.5007 -1.4970 -1.4421 -1.4362 -1.4167 -1.4120 -1.3626 -1.3492 -0.3466 -0.3439 -0.1063 -0.0987 1.6980 1.7103 1.7270 1.7309 2.9215 2.9473 3.0448 3.0514 4.2277 4.2570 4.4066 4.4468 5.3302 5.3328 5.4478 5.4490 5.6344 5.6542 5.8790 5.8955 7.8824 7.8892 8.1630 8.1746 9.2558 9.2816 9.3940 9.4038 9.8443 9.9009 k = 0.4605 0.3522 0.6205 ( 6282 PWs) bands (ev): -5.6151 -5.6145 -5.5282 -5.5281 -4.4652 -4.4621 -4.4502 -4.4467 -2.2007 -2.1959 -2.1684 -2.1625 -2.1513 -2.1454 -2.0668 -2.0510 -1.6230 -1.6075 -1.5404 -1.5288 -1.5008 -1.4977 -1.4429 -1.4386 -1.4152 -1.4118 -1.3618 -1.3516 -0.3047 -0.3014 -0.1140 -0.1074 1.7196 1.7293 1.7477 1.7502 2.9120 2.9361 3.0117 3.0222 4.2265 4.2591 4.3653 4.4049 5.3331 5.3364 5.4401 5.4427 5.6320 5.6527 5.8403 5.8586 7.9286 7.9376 8.1505 8.1623 9.2978 9.3232 9.4198 9.4300 9.8206 9.8793 k = 0.4737 0.3622 0.6078 ( 6280 PWs) bands (ev): -5.6040 -5.6035 -5.5423 -5.5422 -4.4629 -4.4601 -4.4522 -4.4490 -2.2006 -2.1978 -2.1692 -2.1627 -2.1546 -2.1483 -2.0659 -2.0548 -1.6227 -1.6128 -1.5392 -1.5315 -1.5005 -1.4982 -1.4439 -1.4412 -1.4136 -1.4115 -1.3610 -1.3541 -0.2583 -0.2547 -0.1243 -0.1187 1.7381 1.7450 1.7644 1.7657 2.9109 2.9332 2.9831 2.9969 4.2252 4.2602 4.3211 4.3600 5.3359 5.3393 5.4294 5.4322 5.6343 5.6544 5.7940 5.8126 7.9862 7.9969 8.1395 8.1516 9.3373 9.3616 9.4310 9.4428 9.8058 9.8642 k = 0.4868 0.3723 0.5951 ( 6284 PWs) bands (ev): -5.5911 -5.5908 -5.5583 -5.5582 -4.4605 -4.4584 -4.4535 -4.4512 -2.2009 -2.1997 -2.1696 -2.1655 -2.1549 -2.1510 -2.0648 -2.0591 -1.6224 -1.6178 -1.5382 -1.5344 -1.4999 -1.4986 -1.4452 -1.4439 -1.4121 -1.4111 -1.3601 -1.3567 -0.2087 -0.2049 -0.1368 -0.1321 1.7538 1.7573 1.7771 1.7776 2.9177 2.9364 2.9610 2.9758 4.2235 4.2572 4.2775 4.3127 5.3359 5.3382 5.4174 5.4192 5.6398 5.6553 5.7479 5.7628 8.0520 8.0639 8.1302 8.1425 9.3731 9.3952 9.4260 9.4407 9.8035 9.8578 k = 0.5000 0.3823 0.5825 ( 6282 PWs) bands (ev): -5.5780 -5.5780 -5.5747 -5.5747 -4.4582 -4.4582 -4.4527 -4.4527 -2.2015 -2.2015 -2.1698 -2.1698 -2.1534 -2.1534 -2.0635 -2.0635 -1.6222 -1.6222 -1.5373 -1.5373 -1.4989 -1.4989 -1.4465 -1.4465 -1.4106 -1.4106 -1.3590 -1.3590 -0.1625 -0.1625 -0.1418 -0.1418 1.7666 1.7666 1.7864 1.7864 2.9307 2.9307 2.9596 2.9596 4.2210 4.2210 4.2643 4.2643 5.3285 5.3285 5.4068 5.4068 5.6392 5.6392 5.7223 5.7223 8.1218 8.1218 8.1356 8.1356 9.4030 9.4030 9.4251 9.4251 9.8138 9.8138 k = 0.5000 0.3823 0.5825 ( 6282 PWs) bands (ev): -5.5780 -5.5780 -5.5747 -5.5747 -4.4582 -4.4582 -4.4527 -4.4527 -2.2015 -2.2015 -2.1698 -2.1698 -2.1534 -2.1534 -2.0635 -2.0635 -1.6222 -1.6222 -1.5373 -1.5373 -1.4989 -1.4989 -1.4465 -1.4465 -1.4106 -1.4106 -1.3590 -1.3590 -0.1625 -0.1625 -0.1418 -0.1418 1.7666 1.7666 1.7864 1.7864 2.9307 2.9307 2.9596 2.9596 4.2210 4.2210 4.2643 4.2643 5.3285 5.3285 5.4068 5.4068 5.6392 5.6392 5.7223 5.7223 8.1218 8.1218 8.1356 8.1356 9.4030 9.4030 9.4251 9.4251 9.8138 9.8138 k = 0.5000 0.3823 0.5609 ( 6268 PWs) bands (ev): -5.5812 -5.5812 -5.5780 -5.5780 -4.4567 -4.4567 -4.4515 -4.4515 -2.2038 -2.2038 -2.1738 -2.1738 -2.1530 -2.1530 -2.0662 -2.0662 -1.6252 -1.6252 -1.5394 -1.5394 -1.4979 -1.4979 -1.4498 -1.4498 -1.4088 -1.4088 -1.3599 -1.3599 -0.1322 -0.1322 -0.1106 -0.1106 1.7842 1.7842 1.8007 1.8007 2.9303 2.9303 2.9600 2.9600 4.1775 4.1775 4.2220 4.2220 5.3040 5.3040 5.3874 5.3874 5.6052 5.6052 5.6937 5.6937 8.1765 8.1765 8.1915 8.1915 9.3969 9.3969 9.4192 9.4192 9.7762 9.7762 k = 0.5000 0.3823 0.5393 ( 6256 PWs) bands (ev): -5.5849 -5.5849 -5.5819 -5.5819 -4.4546 -4.4546 -4.4495 -4.4495 -2.2062 -2.2062 -2.1777 -2.1777 -2.1521 -2.1521 -2.0690 -2.0690 -1.6277 -1.6277 -1.5415 -1.5415 -1.4965 -1.4965 -1.4529 -1.4529 -1.4071 -1.4071 -1.3608 -1.3608 -0.1037 -0.1037 -0.0811 -0.0811 1.8043 1.8043 1.8172 1.8172 2.9294 2.9294 2.9600 2.9600 4.1364 4.1364 4.1815 4.1815 5.2773 5.2773 5.3651 5.3651 5.5746 5.5746 5.6673 5.6673 8.2295 8.2295 8.2459 8.2459 9.3796 9.3796 9.4022 9.4022 9.7369 9.7369 k = 0.5000 0.3823 0.5178 ( 6260 PWs) bands (ev): -5.5891 -5.5891 -5.5861 -5.5861 -4.4518 -4.4518 -4.4469 -4.4469 -2.2088 -2.2088 -2.1812 -2.1812 -2.1510 -2.1510 -2.0716 -2.0716 -1.6296 -1.6296 -1.5438 -1.5438 -1.4949 -1.4949 -1.4557 -1.4557 -1.4058 -1.4058 -1.3617 -1.3617 -0.0777 -0.0777 -0.0540 -0.0540 1.8270 1.8270 1.8361 1.8361 2.9281 2.9281 2.9596 2.9596 4.0984 4.0984 4.1435 4.1435 5.2488 5.2488 5.3396 5.3396 5.5482 5.5482 5.6436 5.6436 8.2790 8.2790 8.2969 8.2969 9.3553 9.3553 9.3782 9.3782 9.6946 9.6946 k = 0.5000 0.3823 0.4962 ( 6268 PWs) bands (ev): -5.5938 -5.5938 -5.5909 -5.5909 -4.4482 -4.4482 -4.4435 -4.4435 -2.2116 -2.2116 -2.1841 -2.1841 -2.1498 -2.1498 -2.0740 -2.0740 -1.6311 -1.6311 -1.5460 -1.5460 -1.4931 -1.4931 -1.4582 -1.4582 -1.4048 -1.4048 -1.3624 -1.3624 -0.0550 -0.0550 -0.0300 -0.0300 1.8524 1.8524 1.8578 1.8578 2.9263 2.9263 2.9588 2.9588 4.0642 4.0642 4.1087 4.1087 5.2185 5.2185 5.3108 5.3108 5.5266 5.5266 5.6227 5.6227 8.3225 8.3225 8.3420 8.3420 9.3286 9.3286 9.3517 9.3517 9.6482 9.6482 k = 0.5000 0.3823 0.4746 ( 6266 PWs) bands (ev): -5.5989 -5.5989 -5.5962 -5.5962 -4.4440 -4.4440 -4.4393 -4.4393 -2.2143 -2.2143 -2.1863 -2.1863 -2.1484 -2.1484 -2.0759 -2.0759 -1.6322 -1.6322 -1.5481 -1.5481 -1.4913 -1.4913 -1.4603 -1.4603 -1.4041 -1.4041 -1.3630 -1.3630 -0.0360 -0.0360 -0.0097 -0.0097 1.8794 1.8794 1.8838 1.8838 2.9241 2.9241 2.9576 2.9576 4.0341 4.0341 4.0775 4.0775 5.1868 5.1868 5.2790 5.2790 5.5099 5.5099 5.6050 5.6050 8.3575 8.3575 8.3787 8.3787 9.3038 9.3038 9.3268 9.3268 9.5978 9.5978 k = 0.5000 0.3823 0.4530 ( 6268 PWs) bands (ev): -5.6045 -5.6045 -5.6019 -5.6019 -4.4389 -4.4389 -4.4342 -4.4342 -2.2171 -2.2171 -2.1879 -2.1879 -2.1471 -2.1471 -2.0772 -2.0772 -1.6329 -1.6329 -1.5501 -1.5501 -1.4896 -1.4896 -1.4618 -1.4618 -1.4037 -1.4037 -1.3633 -1.3633 -0.0214 -0.0214 0.0062 0.0062 1.9072 1.9072 1.9149 1.9149 2.9215 2.9215 2.9561 2.9561 4.0086 4.0086 4.0503 4.0503 5.1539 5.1539 5.2448 5.2448 5.4978 5.4978 5.5904 5.5904 8.3819 8.3819 8.4044 8.4044 9.2839 9.2839 9.3065 9.3065 9.5446 9.5446 k = 0.5000 0.3823 0.4315 ( 6276 PWs) bands (ev): -5.6106 -5.6106 -5.6080 -5.6080 -4.4332 -4.4332 -4.4283 -4.4283 -2.2197 -2.2197 -2.1891 -2.1891 -2.1457 -2.1457 -2.0780 -2.0780 -1.6333 -1.6333 -1.5518 -1.5518 -1.4880 -1.4880 -1.4629 -1.4629 -1.4037 -1.4037 -1.3633 -1.3633 -0.0114 -0.0114 0.0176 0.0176 1.9373 1.9373 1.9499 1.9499 2.9185 2.9185 2.9543 2.9543 3.9879 3.9879 4.0274 4.0274 5.1201 5.1201 5.2089 5.2089 5.4898 5.4898 5.5790 5.5790 8.3938 8.3938 8.4172 8.4172 9.2698 9.2698 9.2916 9.2916 9.4914 9.4914 k = 0.5000 0.3823 0.4099 ( 6280 PWs) bands (ev): -5.6170 -5.6170 -5.6145 -5.6145 -4.4268 -4.4268 -4.4216 -4.4216 -2.2221 -2.2221 -2.1897 -2.1897 -2.1441 -2.1441 -2.0782 -2.0782 -1.6335 -1.6335 -1.5532 -1.5532 -1.4868 -1.4868 -1.4633 -1.4633 -1.4040 -1.4040 -1.3630 -1.3630 -0.0063 -0.0063 0.0239 0.0239 1.9702 1.9702 1.9880 1.9880 2.9152 2.9152 2.9523 2.9523 3.9720 3.9720 4.0091 4.0091 5.0857 5.0857 5.1720 5.1720 5.4855 5.4855 5.5707 5.5707 8.3928 8.3928 8.4165 8.4165 9.2581 9.2581 9.2786 9.2786 9.4442 9.4442 k = 0.5000 0.3823 0.3883 ( 6268 PWs) bands (ev): -5.6237 -5.6237 -5.6212 -5.6212 -4.4197 -4.4197 -4.4142 -4.4142 -2.2242 -2.2242 -2.1900 -2.1900 -2.1423 -2.1423 -2.0776 -2.0776 -1.6333 -1.6333 -1.5543 -1.5543 -1.4858 -1.4858 -1.4629 -1.4629 -1.4046 -1.4046 -1.3624 -1.3624 -0.0059 -0.0059 0.0253 0.0253 2.0057 2.0057 2.0291 2.0291 2.9115 2.9115 2.9503 2.9503 3.9611 3.9611 3.9954 3.9954 5.0510 5.0510 5.1344 5.1344 5.4845 5.4845 5.5654 5.5654 8.3798 8.3798 8.4032 8.4032 9.2401 9.2401 9.2579 9.2579 9.4141 9.4141 k = 0.5000 0.3823 0.3667 ( 6268 PWs) bands (ev): -5.6307 -5.6307 -5.6283 -5.6283 -4.4120 -4.4120 -4.4061 -4.4061 -2.2261 -2.2261 -2.1902 -2.1902 -2.1404 -2.1404 -2.0765 -2.0765 -1.6331 -1.6331 -1.5552 -1.5552 -1.4852 -1.4852 -1.4619 -1.4619 -1.4054 -1.4054 -1.3617 -1.3617 -0.0104 -0.0104 0.0217 0.0217 2.0438 2.0438 2.0727 2.0727 2.9076 2.9076 2.9481 2.9481 3.9550 3.9550 3.9865 3.9865 5.0161 5.0161 5.0966 5.0966 5.4866 5.4866 5.5628 5.5628 8.3570 8.3570 8.3797 8.3797 9.2053 9.2053 9.2214 9.2214 9.4100 9.4100 k = 0.5000 0.3823 0.3452 ( 6272 PWs) bands (ev): -5.6378 -5.6378 -5.6355 -5.6355 -4.4038 -4.4038 -4.3975 -4.3975 -2.2275 -2.2275 -2.1903 -2.1903 -2.1381 -2.1381 -2.0748 -2.0748 -1.6326 -1.6326 -1.5557 -1.5557 -1.4848 -1.4848 -1.4604 -1.4604 -1.4066 -1.4066 -1.3607 -1.3607 -0.0193 -0.0193 0.0135 0.0135 2.0841 2.0841 2.1185 2.1185 2.9034 2.9034 2.9459 2.9459 3.9535 3.9535 3.9824 3.9824 4.9811 4.9811 5.0588 5.0588 5.4916 5.4916 5.5630 5.5630 8.3269 8.3269 8.3487 8.3487 9.1537 9.1537 9.1724 9.1724 9.4258 9.4258 k = 0.5000 0.3823 0.3236 ( 6272 PWs) bands (ev): -5.6450 -5.6450 -5.6428 -5.6428 -4.3952 -4.3952 -4.3885 -4.3885 -2.2286 -2.2286 -2.1903 -2.1903 -2.1354 -2.1354 -2.0727 -2.0727 -1.6320 -1.6320 -1.5561 -1.5561 -1.4844 -1.4844 -1.4583 -1.4583 -1.4078 -1.4078 -1.3595 -1.3595 -0.0322 -0.0322 0.0008 0.0008 2.1262 2.1262 2.1660 2.1660 2.8989 2.8989 2.9436 2.9436 3.9563 3.9563 3.9833 3.9833 4.9463 4.9463 5.0211 5.0211 5.4991 5.4991 5.5656 5.5656 8.2923 8.2923 8.3132 8.3132 9.0938 9.0938 9.1155 9.1155 9.4516 9.4516 k = 0.5000 0.3823 0.3020 ( 6272 PWs) bands (ev): -5.6523 -5.6523 -5.6501 -5.6501 -4.3862 -4.3862 -4.3793 -4.3793 -2.2293 -2.2293 -2.1905 -2.1905 -2.1323 -2.1323 -2.0701 -2.0701 -1.6312 -1.6312 -1.5563 -1.5563 -1.4839 -1.4839 -1.4559 -1.4559 -1.4091 -1.4091 -1.3583 -1.3583 -0.0488 -0.0488 -0.0157 -0.0157 2.1696 2.1696 2.2146 2.2146 2.8940 2.8940 2.9410 2.9410 3.9632 3.9632 3.9893 3.9893 4.9115 4.9115 4.9835 4.9835 5.5090 5.5090 5.5704 5.5704 8.2555 8.2555 8.2758 8.2758 9.0310 9.0310 9.0546 9.0546 9.4809 9.4809 k = 0.5000 0.3823 0.2805 ( 6272 PWs) bands (ev): -5.6595 -5.6595 -5.6574 -5.6574 -4.3771 -4.3771 -4.3699 -4.3699 -2.2295 -2.2295 -2.1908 -2.1908 -2.1287 -2.1287 -2.0674 -2.0674 -1.6302 -1.6302 -1.5565 -1.5565 -1.4832 -1.4832 -1.4533 -1.4533 -1.4105 -1.4105 -1.3571 -1.3571 -0.0683 -0.0683 -0.0355 -0.0355 2.2139 2.2139 2.2638 2.2638 2.8887 2.8887 2.9382 2.9382 3.9739 3.9739 4.0002 4.0002 4.8769 4.8769 4.9462 4.9462 5.5210 5.5210 5.5773 5.5773 8.2187 8.2187 8.2386 8.2386 8.9678 8.9678 8.9922 8.9922 9.5096 9.5096 k = 0.5000 0.3823 0.2589 ( 6274 PWs) bands (ev): -5.6665 -5.6665 -5.6645 -5.6645 -4.3678 -4.3678 -4.3605 -4.3605 -2.2294 -2.2294 -2.1912 -2.1912 -2.1247 -2.1247 -2.0644 -2.0644 -1.6290 -1.6290 -1.5568 -1.5568 -1.4821 -1.4821 -1.4505 -1.4505 -1.4118 -1.4118 -1.3559 -1.3559 -0.0901 -0.0901 -0.0580 -0.0580 2.2586 2.2586 2.3131 2.3131 2.8828 2.8828 2.9348 2.9348 3.9882 3.9882 4.0159 4.0159 4.8423 4.8423 4.9090 4.9090 5.5347 5.5347 5.5859 5.5859 8.1836 8.1836 8.2034 8.2034 8.9052 8.9052 8.9297 8.9297 9.5347 9.5347 k = 0.5000 0.3823 0.2373 ( 6264 PWs) bands (ev): -5.6733 -5.6733 -5.6714 -5.6714 -4.3586 -4.3586 -4.3512 -4.3512 -2.2288 -2.2288 -2.1919 -2.1919 -2.1202 -2.1202 -2.0615 -2.0615 -1.6274 -1.6274 -1.5572 -1.5572 -1.4804 -1.4804 -1.4476 -1.4476 -1.4129 -1.4129 -1.3548 -1.3548 -0.1136 -0.1136 -0.0824 -0.0824 2.3032 2.3032 2.3619 2.3619 2.8762 2.8762 2.9307 2.9307 4.0060 4.0060 4.0361 4.0361 4.8078 4.8078 4.8720 4.8720 5.5498 5.5498 5.5959 5.5959 8.1518 8.1518 8.1719 8.1719 8.8440 8.8440 8.8680 8.8680 9.5536 9.5536 k = 0.5000 0.3823 0.2157 ( 6254 PWs) bands (ev): -5.6798 -5.6798 -5.6780 -5.6780 -4.3495 -4.3495 -4.3423 -4.3423 -2.2279 -2.2279 -2.1927 -2.1927 -2.1153 -2.1153 -2.0586 -2.0586 -1.6256 -1.6256 -1.5580 -1.5580 -1.4783 -1.4783 -1.4447 -1.4447 -1.4136 -1.4136 -1.3539 -1.3539 -0.1380 -0.1380 -0.1080 -0.1080 2.3473 2.3473 2.4098 2.4098 2.8687 2.8687 2.9257 2.9257 4.0273 4.0273 4.0604 4.0604 4.7732 4.7732 4.8351 4.8351 5.5658 5.5658 5.6069 5.6069 8.1244 8.1244 8.1451 8.1451 8.7845 8.7845 8.8076 8.8076 9.5634 9.5634 k = 0.5000 0.3823 0.1942 ( 6254 PWs) bands (ev): -5.6859 -5.6859 -5.6843 -5.6843 -4.3408 -4.3408 -4.3338 -4.3338 -2.2268 -2.2268 -2.1937 -2.1937 -2.1100 -2.1100 -2.0561 -2.0561 -1.6234 -1.6234 -1.5593 -1.5593 -1.4756 -1.4756 -1.4421 -1.4421 -1.4139 -1.4139 -1.3533 -1.3533 -0.1627 -0.1627 -0.1343 -0.1343 2.3905 2.3905 2.4563 2.4563 2.8601 2.8601 2.9195 2.9195 4.0518 4.0518 4.0882 4.0882 4.7384 4.7384 4.7983 4.7983 5.5824 5.5824 5.6185 5.6185 8.1026 8.1026 8.1240 8.1240 8.7269 8.7269 8.7487 8.7487 9.5608 9.5608 k = 0.5000 0.3823 0.1726 ( 6248 PWs) bands (ev): -5.6916 -5.6916 -5.6900 -5.6900 -4.3325 -4.3325 -4.3258 -4.3258 -2.2253 -2.2253 -2.1949 -2.1949 -2.1045 -2.1045 -2.0540 -2.0540 -1.6208 -1.6208 -1.5610 -1.5610 -1.4724 -1.4724 -1.4399 -1.4399 -1.4134 -1.4134 -1.3532 -1.3532 -0.1868 -0.1868 -0.1603 -0.1603 2.4325 2.4325 2.5011 2.5011 2.8503 2.8503 2.9120 2.9120 4.0795 4.0795 4.1192 4.1192 4.7034 4.7034 4.7614 4.7614 5.5989 5.5989 5.6302 5.6302 8.0872 8.0872 8.1095 8.1095 8.6710 8.6710 8.6914 8.6914 9.5422 9.5422 k = 0.5000 0.3823 0.1510 ( 6240 PWs) bands (ev): -5.6967 -5.6967 -5.6953 -5.6953 -4.3247 -4.3247 -4.3185 -4.3185 -2.2236 -2.2236 -2.1962 -2.1962 -2.0987 -2.0987 -2.0524 -2.0524 -1.6179 -1.6179 -1.5632 -1.5632 -1.4690 -1.4690 -1.4384 -1.4384 -1.4118 -1.4118 -1.3535 -1.3535 -0.2098 -0.2098 -0.1855 -0.1855 2.4730 2.4730 2.5438 2.5438 2.8391 2.8391 2.9030 2.9030 4.1100 4.1100 4.1526 4.1526 4.6681 4.6681 4.7245 4.7245 5.6151 5.6151 5.6418 5.6418 8.0790 8.0790 8.1021 8.1021 8.6168 8.6168 8.6356 8.6356 9.5061 9.5061 k = 0.5000 0.3823 0.1294 ( 6248 PWs) bands (ev): -5.7012 -5.7012 -5.7000 -5.7000 -4.3177 -4.3177 -4.3121 -4.3121 -2.2218 -2.2218 -2.1978 -2.1978 -2.0930 -2.0930 -2.0515 -2.0515 -1.6146 -1.6146 -1.5660 -1.5660 -1.4653 -1.4653 -1.4378 -1.4378 -1.4089 -1.4089 -1.3545 -1.3545 -0.2309 -0.2309 -0.2093 -0.2093 2.5117 2.5117 2.5841 2.5841 2.8265 2.8265 2.8922 2.8922 4.1429 4.1429 4.1880 4.1880 4.6325 4.6325 4.6874 4.6874 5.6303 5.6303 5.6526 5.6526 8.0785 8.0785 8.1022 8.1022 8.5639 8.5639 8.5811 8.5811 9.4557 9.4557 k = 0.5000 0.3823 0.1079 ( 6250 PWs) bands (ev): -5.7052 -5.7052 -5.7041 -5.7041 -4.3114 -4.3114 -4.3066 -4.3066 -2.2199 -2.2199 -2.1994 -2.1994 -2.0872 -2.0872 -2.0513 -2.0513 -1.6110 -1.6110 -1.5691 -1.5691 -1.4617 -1.4617 -1.4380 -1.4380 -1.4048 -1.4048 -1.3561 -1.3561 -0.2495 -0.2495 -0.2309 -0.2309 2.5486 2.5486 2.6219 2.6219 2.8124 2.8124 2.8796 2.8796 4.1777 4.1777 4.2246 4.2246 4.5968 4.5968 4.6503 4.6503 5.6441 5.6441 5.6623 5.6623 8.0858 8.0858 8.1097 8.1097 8.5122 8.5122 8.5280 8.5280 9.3983 9.3984 k = 0.5000 0.3823 0.0863 ( 6260 PWs) bands (ev): -5.7084 -5.7084 -5.7076 -5.7076 -4.3060 -4.3060 -4.3020 -4.3020 -2.2178 -2.2178 -2.2012 -2.2012 -2.0815 -2.0815 -2.0519 -2.0519 -1.6071 -1.6071 -1.5727 -1.5727 -1.4582 -1.4582 -1.4389 -1.4389 -1.3998 -1.3998 -1.3586 -1.3586 -0.2652 -0.2652 -0.2498 -0.2498 2.5834 2.5834 2.6567 2.6567 2.7969 2.7969 2.8650 2.8650 4.2138 4.2138 4.2614 4.2614 4.5615 4.5615 4.6132 4.6132 5.6563 5.6563 5.6706 5.6706 8.1008 8.1008 8.1243 8.1243 8.4616 8.4616 8.4764 8.4764 9.3423 9.3423 k = 0.5000 0.3823 0.0647 ( 6260 PWs) bands (ev): -5.7109 -5.7109 -5.7103 -5.7103 -4.3016 -4.3016 -4.2985 -4.2985 -2.2157 -2.2157 -2.2031 -2.2031 -2.0760 -2.0760 -2.0532 -2.0532 -1.6030 -1.6030 -1.5766 -1.5766 -1.4548 -1.4548 -1.4403 -1.4403 -1.3941 -1.3941 -1.3618 -1.3618 -0.2774 -0.2774 -0.2656 -0.2656 2.6160 2.6160 2.6877 2.6877 2.7810 2.7810 2.8485 2.8485 4.2504 4.2504 4.2969 4.2969 4.5275 4.5275 4.5765 4.5765 5.6664 5.6664 5.6770 5.6770 8.1227 8.1227 8.1450 8.1450 8.4125 8.4125 8.4268 8.4268 9.2941 9.2943 k = 0.5000 0.3823 0.0431 ( 6254 PWs) bands (ev): -5.7127 -5.7127 -5.7123 -5.7123 -4.2982 -4.2982 -4.2961 -4.2961 -2.2135 -2.2135 -2.2051 -2.2051 -2.0708 -2.0708 -2.0553 -2.0553 -1.5986 -1.5986 -1.5808 -1.5808 -1.4517 -1.4517 -1.4420 -1.4420 -1.3880 -1.3880 -1.3658 -1.3658 -0.2858 -0.2858 -0.2777 -0.2777 2.6463 2.6463 2.7112 2.7112 2.7680 2.7680 2.8300 2.8300 4.2862 4.2862 4.3279 4.3279 4.4979 4.4979 4.5409 4.5409 5.6743 5.6743 5.6813 5.6813 8.1499 8.1499 8.1697 8.1697 8.3671 8.3671 8.3807 8.3807 9.2581 9.2583 k = 0.5000 0.3823 0.0216 ( 6256 PWs) bands (ev): -5.7138 -5.7138 -5.7136 -5.7136 -4.2960 -4.2960 -4.2949 -4.2949 -2.2113 -2.2113 -2.2071 -2.2071 -2.0660 -2.0660 -2.0582 -2.0582 -1.5941 -1.5941 -1.5851 -1.5851 -1.4489 -1.4489 -1.4440 -1.4440 -1.3819 -1.3819 -1.3706 -1.3706 -0.2901 -0.2901 -0.2860 -0.2860 2.6740 2.6740 2.7148 2.7148 2.7705 2.7705 2.8098 2.8098 4.3189 4.3189 4.3468 4.3468 4.4800 4.4800 4.5084 4.5084 5.6798 5.6798 5.6833 5.6833 8.1785 8.1785 8.1922 8.1922 8.3314 8.3314 8.3417 8.3417 9.2365 9.2365 k = 0.5000 0.3823-0.0000 ( 6254 PWs) bands (ev): -5.7140 -5.7140 -5.7140 -5.7140 -4.2949 -4.2949 -4.2949 -4.2949 -2.2092 -2.2092 -2.2092 -2.2092 -2.0618 -2.0618 -2.0618 -2.0618 -1.5896 -1.5896 -1.5896 -1.5896 -1.4463 -1.4463 -1.4463 -1.4463 -1.3760 -1.3760 -1.3760 -1.3760 -0.2902 -0.2902 -0.2902 -0.2902 2.6981 2.6981 2.6981 2.6981 2.7887 2.7887 2.7887 2.7887 4.3428 4.3428 4.3428 4.3428 4.4845 4.4845 4.4845 4.4845 5.6828 5.6828 5.6828 5.6828 8.1977 8.1977 8.1977 8.1977 8.3202 8.3202 8.3202 8.3202 9.2310 9.2310 k = 0.0000 0.0000 0.8231 ( 6260 PWs) bands (ev): -5.5649 -5.5649 -5.5610 -5.5610 -4.4546 -4.4546 -4.4502 -4.4502 -2.1859 -2.1859 -2.1698 -2.1698 -2.1018 -2.1018 -2.0615 -2.0615 -1.5790 -1.5790 -1.5380 -1.5380 -1.4717 -1.4717 -1.4553 -1.4553 -1.3919 -1.3919 -1.3655 -1.3655 -0.4017 -0.4017 -0.3851 -0.3851 1.6869 1.6869 1.7229 1.7229 2.9264 2.9264 2.9485 2.9485 4.5850 4.5850 4.5873 4.5873 5.4595 5.4595 5.5088 5.5088 5.9443 5.9443 5.9564 5.9564 7.7583 7.7583 7.7588 7.7588 9.0432 9.0432 9.0761 9.0761 10.0616 10.0617 k = 0.0167 0.0127 0.8231 ( 6272 PWs) bands (ev): -5.5650 -5.5648 -5.5612 -5.5609 -4.4550 -4.4543 -4.4505 -4.4500 -2.1881 -2.1835 -2.1721 -2.1676 -2.1024 -2.1012 -2.0624 -2.0611 -1.5837 -1.5741 -1.5406 -1.5353 -1.4730 -1.4705 -1.4566 -1.4539 -1.3929 -1.3912 -1.3672 -1.3645 -0.4009 -0.4004 -0.3860 -0.3821 1.6806 1.6848 1.7168 1.7194 2.9321 2.9340 2.9509 2.9583 4.5817 4.5848 4.5854 4.5866 5.4592 5.4596 5.5080 5.5094 5.9367 5.9433 5.9521 5.9525 7.7626 7.7637 7.7645 7.7666 9.0406 9.0415 9.0738 9.0740 10.0621 10.0623 k = 0.0333 0.0255 0.8231 ( 6264 PWs) bands (ev): -5.5650 -5.5648 -5.5613 -5.5607 -4.4554 -4.4540 -4.4508 -4.4499 -2.1902 -2.1809 -2.1744 -2.1653 -2.1028 -2.1004 -2.0635 -2.0608 -1.5883 -1.5691 -1.5431 -1.5325 -1.4743 -1.4692 -1.4580 -1.4525 -1.3943 -1.3909 -1.3695 -1.3641 -0.3981 -0.3971 -0.3849 -0.3770 1.6664 1.6744 1.7018 1.7068 2.9506 2.9542 2.9650 2.9797 4.5755 4.5790 4.5826 4.5828 5.4586 5.4596 5.5072 5.5099 5.9211 5.9340 5.9400 5.9405 7.7780 7.7804 7.7821 7.7857 9.0338 9.0356 9.0670 9.0675 10.0638 10.0643 k = 0.0500 0.0382 0.8231 ( 6268 PWs) bands (ev): -5.5650 -5.5647 -5.5614 -5.5606 -4.4559 -4.4537 -4.4511 -4.4498 -2.1920 -2.1783 -2.1767 -2.1632 -2.1031 -2.0997 -2.0650 -2.0609 -1.5927 -1.5641 -1.5455 -1.5296 -1.4757 -1.4679 -1.4595 -1.4512 -1.3960 -1.3908 -1.3725 -1.3644 -0.3934 -0.3918 -0.3817 -0.3701 1.6452 1.6566 1.6790 1.6861 2.9808 2.9859 2.9901 3.0117 4.5663 4.5699 4.5755 4.5774 5.4578 5.4596 5.5065 5.5101 5.8984 5.9169 5.9208 5.9212 7.8042 7.8077 7.8103 7.8154 9.0226 9.0253 9.0557 9.0563 10.0669 10.0677 k = 0.0667 0.0510 0.8231 ( 6276 PWs) bands (ev): -5.5650 -5.5645 -5.5615 -5.5604 -4.4563 -4.4534 -4.4515 -4.4497 -2.1937 -2.1790 -2.1756 -2.1612 -2.1032 -2.0988 -2.0667 -2.0613 -1.5970 -1.5591 -1.5477 -1.5266 -1.4772 -1.4666 -1.4610 -1.4498 -1.3980 -1.3911 -1.3759 -1.3654 -0.3869 -0.3849 -0.3768 -0.3616 1.6187 1.6328 1.6501 1.6589 3.0211 3.0245 3.0273 3.0526 4.5540 4.5575 4.5649 4.5690 5.4566 5.4597 5.5060 5.5099 5.8701 5.8932 5.8958 5.8960 7.8404 7.8445 7.8481 7.8544 9.0070 9.0105 9.0397 9.0405 10.0715 10.0731 k = 0.0833 0.0637 0.8231 ( 6280 PWs) bands (ev): -5.5650 -5.5644 -5.5616 -5.5603 -4.4568 -4.4532 -4.4519 -4.4497 -2.1952 -2.1813 -2.1727 -2.1592 -2.1032 -2.0980 -2.0686 -2.0620 -1.6010 -1.5540 -1.5499 -1.5235 -1.4788 -1.4653 -1.4627 -1.4483 -1.4002 -1.3915 -1.3797 -1.3668 -0.3790 -0.3764 -0.3702 -0.3516 1.5884 1.6046 1.6169 1.6270 3.0665 3.0694 3.0764 3.1008 4.5387 4.5416 4.5511 4.5577 5.4551 5.4601 5.5058 5.5093 5.8377 5.8643 5.8656 5.8671 7.8851 7.8895 7.8942 7.9014 8.9867 8.9910 9.0189 9.0199 10.0779 10.0806 k = 0.1000 0.0765 0.8231 ( 6272 PWs) bands (ev): -5.5649 -5.5642 -5.5617 -5.5601 -4.4572 -4.4530 -4.4523 -4.4498 -2.1964 -2.1835 -2.1699 -2.1574 -2.1029 -2.0971 -2.0706 -2.0629 -1.6046 -1.5519 -1.5488 -1.5203 -1.4805 -1.4644 -1.4638 -1.4466 -1.4026 -1.3920 -1.3838 -1.3687 -0.3699 -0.3668 -0.3623 -0.3406 1.5560 1.5737 1.5814 1.5924 3.1142 3.1237 3.1313 3.1543 4.5203 4.5224 4.5338 4.5436 5.4532 5.4608 5.5061 5.5082 5.8033 5.8317 5.8324 5.8357 7.9370 7.9413 7.9472 7.9550 8.9616 8.9666 8.9932 8.9944 10.0863 10.0897 k = 0.1167 0.0892 0.8231 ( 6268 PWs) bands (ev): -5.5649 -5.5641 -5.5618 -5.5600 -4.4576 -4.4528 -4.4527 -4.4499 -2.1974 -2.1855 -2.1670 -2.1557 -2.1025 -2.0963 -2.0728 -2.0640 -1.6080 -1.5537 -1.5437 -1.5170 -1.4824 -1.4664 -1.4624 -1.4450 -1.4052 -1.3926 -1.3880 -1.3710 -0.3601 -0.3565 -0.3535 -0.3288 1.5230 1.5416 1.5450 1.5566 3.1656 3.1821 3.1900 3.2114 4.4989 4.4999 4.5133 4.5267 5.4511 5.4621 5.5062 5.5070 5.7686 5.7971 5.7975 5.8035 7.9948 7.9986 8.0058 8.0140 8.9317 8.9373 8.9624 8.9639 10.0969 10.1017 k = 0.1333 0.1020 0.8231 ( 6248 PWs) bands (ev): -5.5648 -5.5639 -5.5619 -5.5598 -4.4580 -4.4531 -4.4526 -4.4500 -2.1981 -2.1875 -2.1642 -2.1541 -2.1017 -2.0955 -2.0751 -2.0653 -1.6110 -1.5553 -1.5386 -1.5136 -1.4844 -1.4684 -1.4608 -1.4431 -1.4079 -1.3931 -1.3922 -1.3736 -0.3499 -0.3459 -0.3441 -0.3169 1.4908 1.5094 1.5098 1.5212 3.2189 3.2427 3.2505 3.2703 4.4744 4.4750 4.4897 4.5075 5.4489 5.4640 5.5033 5.5087 5.7354 5.7618 5.7624 5.7720 8.0570 8.0600 8.0687 8.0769 8.8969 8.9029 8.9267 8.9284 10.1096 10.1155 k = 0.1500 0.1147 0.8231 ( 6258 PWs) bands (ev): -5.5648 -5.5637 -5.5620 -5.5597 -4.4584 -4.4534 -4.4524 -4.4502 -2.1987 -2.1894 -2.1616 -2.1527 -2.1009 -2.0948 -2.0775 -2.0667 -1.6137 -1.5568 -1.5337 -1.5103 -1.4867 -1.4708 -1.4592 -1.4413 -1.4107 -1.3964 -1.3935 -1.3763 -0.3398 -0.3354 -0.3346 -0.3052 1.4607 1.4759 1.4796 1.4875 3.2719 3.3034 3.3110 3.3288 4.4466 4.4489 4.4636 4.4866 5.4467 5.4667 5.4992 5.5114 5.7054 5.7271 5.7283 5.7424 8.1225 8.1245 8.1346 8.1428 8.8574 8.8636 8.8862 8.8881 10.1242 10.1359 k = 0.1667 0.1274 0.8231 ( 6264 PWs) bands (ev): -5.5647 -5.5635 -5.5621 -5.5596 -4.4588 -4.4538 -4.4523 -4.4504 -2.1991 -2.1912 -2.1592 -2.1516 -2.0998 -2.0942 -2.0800 -2.0681 -1.6161 -1.5581 -1.5288 -1.5069 -1.4892 -1.4734 -1.4577 -1.4393 -1.4136 -1.4004 -1.3937 -1.3790 -0.3302 -0.3255 -0.3254 -0.2941 1.4337 1.4455 1.4521 1.4565 3.3226 3.3622 3.3693 3.3850 4.4175 4.4218 4.4359 4.4647 5.4450 5.4702 5.4935 5.5154 5.6801 5.6941 5.6965 5.7157 8.1902 8.1909 8.2025 8.2104 8.8134 8.8194 8.8411 8.8432 10.1404 10.1484 k = 0.1833 0.1402 0.8231 ( 6270 PWs) bands (ev): -5.5647 -5.5633 -5.5622 -5.5595 -4.4591 -4.4540 -4.4521 -4.4506 -2.1993 -2.1928 -2.1571 -2.1506 -2.0986 -2.0937 -2.0825 -2.0694 -1.6180 -1.5593 -1.5240 -1.5035 -1.4920 -1.4761 -1.4562 -1.4372 -1.4164 -1.4040 -1.3937 -1.3817 -0.3217 -0.3171 -0.3168 -0.2843 1.4108 1.4192 1.4282 1.4294 3.3689 3.4169 3.4232 3.4365 4.3885 4.3950 4.4079 4.4432 5.4439 5.4745 5.4863 5.5209 5.6604 5.6636 5.6679 5.6924 8.2582 8.2589 8.2712 8.2788 8.7652 8.7708 8.7917 8.7940 10.1571 10.1613 k = 0.2000 0.1529 0.8231 ( 6270 PWs) bands (ev): -5.5647 -5.5632 -5.5623 -5.5594 -4.4593 -4.4543 -4.4520 -4.4508 -2.1992 -2.1943 -2.1553 -2.1498 -2.0971 -2.0933 -2.0849 -2.0706 -1.6196 -1.5601 -1.5194 -1.5004 -1.4946 -1.4791 -1.4549 -1.4351 -1.4192 -1.4071 -1.3934 -1.3843 -0.3145 -0.3100 -0.3095 -0.2761 1.3926 1.3979 1.4068 1.4088 3.4085 3.4648 3.4699 3.4806 4.3616 4.3707 4.3815 4.4235 5.4439 5.4780 5.4794 5.5280 5.6362 5.6434 5.6468 5.6730 8.3254 8.3278 8.3398 8.3469 8.7135 8.7181 8.7387 8.7411 10.1730 10.1733 k = 0.2167 0.1657 0.8231 ( 6274 PWs) bands (ev): -5.5646 -5.5630 -5.5624 -5.5593 -4.4595 -4.4544 -4.4518 -4.4510 -2.1989 -2.1956 -2.1540 -2.1493 -2.0955 -2.0930 -2.0872 -2.0715 -1.6207 -1.5608 -1.5149 -1.4999 -1.4950 -1.4822 -1.4538 -1.4328 -1.4220 -1.4094 -1.3928 -1.3866 -0.3091 -0.3045 -0.3041 -0.2699 1.3800 1.3822 1.3895 1.3944 3.4390 3.5031 3.5066 3.5143 4.3394 4.3512 4.3591 4.4076 5.4454 5.4692 5.4842 5.5368 5.6125 5.6242 5.6392 5.6577 8.3913 8.3955 8.4067 8.4132 8.6594 8.6621 8.6831 8.6854 10.1834 10.1877 k = 0.2333 0.1784 0.8231 ( 6274 PWs) bands (ev): -5.5646 -5.5628 -5.5625 -5.5593 -4.4596 -4.4545 -4.4516 -4.4512 -2.1984 -2.1967 -2.1532 -2.1489 -2.0936 -2.0929 -2.0895 -2.0721 -1.6213 -1.5611 -1.5106 -1.5028 -1.4921 -1.4855 -1.4531 -1.4306 -1.4245 -1.4109 -1.3917 -1.3887 -0.3058 -0.3011 -0.3008 -0.2661 1.3725 1.3731 1.3779 1.3857 3.4583 3.5289 3.5302 3.5347 4.3247 4.3391 4.3433 4.3972 5.4487 5.4610 5.4879 5.5463 5.5939 5.6118 5.6370 5.6465 8.4533 8.4598 8.4683 8.4734 8.6051 8.6071 8.6285 8.6291 10.1904 10.1986 k = 0.2500 0.1912 0.8231 ( 6276 PWs) bands (ev): -5.5646 -5.5627 -5.5627 -5.5593 -4.4596 -4.4546 -4.4514 -4.4514 -2.1977 -2.1976 -2.1529 -2.1488 -2.0928 -2.0916 -2.0916 -2.0723 -1.6215 -1.5612 -1.5066 -1.5066 -1.4888 -1.4888 -1.4528 -1.4291 -1.4261 -1.4115 -1.3904 -1.3903 -0.3046 -0.2998 -0.2998 -0.2648 1.3693 1.3725 1.3725 1.3827 3.4649 3.5384 3.5398 3.5398 4.3194 4.3362 4.3362 4.3935 5.4540 5.4540 5.4894 5.5518 5.5853 5.6074 5.6395 5.6395 8.4976 8.4977 8.5011 8.5033 8.5662 8.5861 8.5861 8.5957 10.1930 10.2039 Writing output data file CdSiAs2.save init_run : 2.28s CPU 1.63s WALL ( 1 calls) electrons : 612.05s CPU 471.58s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.03s WALL ( 1 calls) potinit : 0.19s CPU 0.15s WALL ( 1 calls) Called by electrons: c_bands : 612.04s CPU 471.56s WALL ( 1 calls) v_of_rho : 0.08s CPU 0.05s WALL ( 1 calls) v_h : 0.01s CPU 0.00s WALL ( 1 calls) v_xc : 0.08s CPU 0.04s WALL ( 1 calls) newd : 0.71s CPU 0.45s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.61s CPU 0.62s WALL ( 268 calls) cegterg : 545.50s CPU 434.40s WALL ( 855 calls) Called by sum_band: Called by *egterg: h_psi : 392.21s CPU 262.38s WALL ( 15721 calls) s_psi : 22.99s CPU 19.53s WALL ( 15721 calls) g_psi : 0.53s CPU 0.49s WALL ( 14598 calls) cdiaghg : 136.94s CPU 134.58s WALL ( 14866 calls) cegterg:over : 16.64s CPU 16.28s WALL ( 14598 calls) cegterg:upda : 18.45s CPU 17.81s WALL ( 14598 calls) cegterg:last : 5.54s CPU 5.66s WALL ( 1636 calls) cdiaghg:chol : 7.56s CPU 7.83s WALL ( 14866 calls) cdiaghg:inve : 5.16s CPU 5.07s WALL ( 14866 calls) cdiaghg:para : 8.04s CPU 8.16s WALL ( 29732 calls) Called by h_psi: h_psi:vloc : 354.12s CPU 230.07s WALL ( 15721 calls) h_psi:vnl : 37.40s CPU 31.70s WALL ( 15721 calls) add_vuspsi : 19.97s CPU 16.64s WALL ( 15721 calls) General routines calbec : 17.36s CPU 15.01s WALL ( 15721 calls) fft : 0.14s CPU 0.11s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 319.72s CPU 200.23s WALL ( 1135372 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.28s CPU 1.22s WALL ( 536 calls) Parallel routines fft_scatter : 96.16s CPU 77.99s WALL ( 1135395 calls) PWSCF : 10m34.88s CPU 8m26.86s WALL This run was terminated on: 6:23:41 11Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=