Program PWSCF v.5.4.0 starts on 12Feb2017 at 2:53:46 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: ./LiSiBO4.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 68 68 18 1715 1715 251 Max 69 69 19 1718 1718 255 Sum 2453 2453 681 61789 61789 9121 bravais-lattice index = 14 lattice parameter (alat) = 8.6753 a.u. unit-cell volume = 438.6148 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 4 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.675339 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.545028 celldm(5)= -0.545028 celldm(6)= 0.090057 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.090057 0.995937 0.000000 ) a(3) = ( -0.545028 -0.497968 0.674516 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.090424 0.741272 ) b(2) = ( 0.000000 1.004080 0.741272 ) b(3) = ( 0.000000 0.000000 1.482545 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 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 B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 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. # 4 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 O 6.00 15.99940 O( 1.00) Li 3.00 6.94100 Li( 1.00) B 3.00 10.81100 B( 1.00) Si 4.00 28.08550 Si( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 374 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0000000 0.0000000 0.0145348), wk = 0.0026738 k( 3) = ( 0.0000000 0.0000000 0.0290695), wk = 0.0026738 k( 4) = ( 0.0000000 0.0000000 0.0436043), wk = 0.0026738 k( 5) = ( 0.0000000 0.0000000 0.0581390), wk = 0.0026738 k( 6) = ( 0.0000000 0.0000000 0.0726738), wk = 0.0026738 k( 7) = ( 0.0000000 0.0000000 0.0872085), wk = 0.0026738 k( 8) = ( 0.0000000 0.0000000 0.1017433), wk = 0.0026738 k( 9) = ( 0.0000000 0.0000000 0.1162780), wk = 0.0026738 k( 10) = ( 0.0000000 0.0000000 0.1308128), wk = 0.0026738 k( 11) = ( 0.0000000 0.0000000 0.1453475), wk = 0.0026738 k( 12) = ( 0.0000000 0.0000000 0.1598823), wk = 0.0026738 k( 13) = ( 0.0000000 0.0000000 0.1744170), wk = 0.0026738 k( 14) = ( 0.0000000 0.0000000 0.1889518), wk = 0.0026738 k( 15) = ( 0.0000000 0.0000000 0.2034866), wk = 0.0026738 k( 16) = ( 0.0000000 0.0000000 0.2180213), wk = 0.0026738 k( 17) = ( 0.0000000 0.0000000 0.2325561), wk = 0.0026738 k( 18) = ( 0.0000000 0.0000000 0.2470908), wk = 0.0026738 k( 19) = ( 0.0000000 0.0000000 0.2616256), wk = 0.0026738 k( 20) = ( 0.0000000 0.0000000 0.2761603), wk = 0.0026738 k( 21) = ( 0.0000000 0.0000000 0.2906951), wk = 0.0026738 k( 22) = ( 0.0000000 0.0000000 0.3052298), wk = 0.0026738 k( 23) = ( 0.0000000 0.0000000 0.3197646), wk = 0.0026738 k( 24) = ( 0.0000000 0.0000000 0.3342993), wk = 0.0026738 k( 25) = ( 0.0000000 0.0000000 0.3488341), wk = 0.0026738 k( 26) = ( 0.0000000 0.0000000 0.3633688), wk = 0.0026738 k( 27) = ( 0.0000000 0.0000000 0.3779036), wk = 0.0026738 k( 28) = ( 0.0000000 0.0000000 0.3924383), wk = 0.0026738 k( 29) = ( 0.0000000 0.0000000 0.4069731), wk = 0.0026738 k( 30) = ( 0.0000000 0.0000000 0.4215079), wk = 0.0026738 k( 31) = ( 0.0000000 0.0000000 0.4360426), wk = 0.0026738 k( 32) = ( 0.0000000 0.0000000 0.4505774), wk = 0.0026738 k( 33) = ( 0.0000000 0.0000000 0.4651121), wk = 0.0026738 k( 34) = ( 0.0000000 0.0000000 0.4796469), wk = 0.0026738 k( 35) = ( 0.0000000 0.0000000 0.4941816), wk = 0.0026738 k( 36) = ( 0.0000000 0.0000000 0.5087164), wk = 0.0026738 k( 37) = ( 0.0000000 0.0000000 0.5232511), wk = 0.0026738 k( 38) = ( 0.0000000 0.0000000 0.5377859), wk = 0.0026738 k( 39) = ( 0.0000000 0.0000000 0.5523206), wk = 0.0026738 k( 40) = ( 0.0000000 0.0000000 0.5668554), wk = 0.0026738 k( 41) = ( 0.0000000 0.0000000 0.5813901), wk = 0.0026738 k( 42) = ( 0.0000000 0.0000000 0.5959249), wk = 0.0026738 k( 43) = ( 0.0000000 0.0000000 0.6104597), wk = 0.0026738 k( 44) = ( 0.0000000 0.0000000 0.6249944), wk = 0.0026738 k( 45) = ( 0.0000000 0.0000000 0.6395292), wk = 0.0026738 k( 46) = ( 0.0000000 0.0000000 0.6540639), wk = 0.0026738 k( 47) = ( 0.0000000 0.0000000 0.6685987), wk = 0.0026738 k( 48) = ( 0.0000000 0.0000000 0.6831334), wk = 0.0026738 k( 49) = ( 0.0000000 0.0000000 0.6976682), wk = 0.0026738 k( 50) = ( 0.0000000 0.0000000 0.7122029), wk = 0.0026738 k( 51) = ( 0.0000000 0.0000000 0.7267377), wk = 0.0026738 k( 52) = ( 0.0000000 0.0000000 0.7412724), wk = 0.0026738 k( 53) = ( 0.0000000 0.0000000 0.7412724), wk = 0.0026738 k( 54) = ( -0.0094860 0.0103825 0.7412724), wk = 0.0026738 k( 55) = ( -0.0189720 0.0207649 0.7412724), wk = 0.0026738 k( 56) = ( -0.0284580 0.0311474 0.7412724), wk = 0.0026738 k( 57) = ( -0.0379439 0.0415298 0.7412724), wk = 0.0026738 k( 58) = ( -0.0474299 0.0519123 0.7412724), wk = 0.0026738 k( 59) = ( -0.0569159 0.0622947 0.7412724), wk = 0.0026738 k( 60) = ( -0.0664019 0.0726772 0.7412724), wk = 0.0026738 k( 61) = ( -0.0758879 0.0830596 0.7412724), wk = 0.0026738 k( 62) = ( -0.0853739 0.0934421 0.7412724), wk = 0.0026738 k( 63) = ( -0.0948599 0.1038245 0.7412724), wk = 0.0026738 k( 64) = ( -0.1043459 0.1142070 0.7412724), wk = 0.0026738 k( 65) = ( -0.1138318 0.1245894 0.7412724), wk = 0.0026738 k( 66) = ( -0.1233178 0.1349719 0.7412724), wk = 0.0026738 k( 67) = ( -0.1328038 0.1453543 0.7412724), wk = 0.0026738 k( 68) = ( -0.1422898 0.1557368 0.7412724), wk = 0.0026738 k( 69) = ( -0.1517758 0.1661192 0.7412724), wk = 0.0026738 k( 70) = ( -0.1612618 0.1765017 0.7412724), wk = 0.0026738 k( 71) = ( -0.1707478 0.1868841 0.7412724), wk = 0.0026738 k( 72) = ( -0.1802337 0.1972666 0.7412724), wk = 0.0026738 k( 73) = ( -0.1897197 0.2076490 0.7412724), wk = 0.0026738 k( 74) = ( -0.1992057 0.2180315 0.7412724), wk = 0.0026738 k( 75) = ( -0.2086917 0.2284139 0.7412724), wk = 0.0026738 k( 76) = ( -0.2086917 0.2284139 0.7412724), wk = 0.0026738 k( 77) = ( -0.2156276 0.2360053 0.7309896), wk = 0.0026738 k( 78) = ( -0.2225635 0.2435967 0.7207068), wk = 0.0026738 k( 79) = ( -0.2294994 0.2511881 0.7104240), wk = 0.0026738 k( 80) = ( -0.2364353 0.2587795 0.7001412), wk = 0.0026738 k( 81) = ( -0.2433713 0.2663709 0.6898584), wk = 0.0026738 k( 82) = ( -0.2503072 0.2739622 0.6795756), wk = 0.0026738 k( 83) = ( -0.2572431 0.2815536 0.6692928), wk = 0.0026738 k( 84) = ( -0.2641790 0.2891450 0.6590100), wk = 0.0026738 k( 85) = ( -0.2711149 0.2967364 0.6487272), wk = 0.0026738 k( 86) = ( -0.2780508 0.3043278 0.6384444), wk = 0.0026738 k( 87) = ( -0.2849867 0.3119192 0.6281616), wk = 0.0026738 k( 88) = ( -0.2919226 0.3195105 0.6178788), wk = 0.0026738 k( 89) = ( -0.2988586 0.3271019 0.6075960), wk = 0.0026738 k( 90) = ( -0.3057945 0.3346933 0.5973132), wk = 0.0026738 k( 91) = ( -0.3127304 0.3422847 0.5870304), wk = 0.0026738 k( 92) = ( -0.3196663 0.3498761 0.5767476), wk = 0.0026738 k( 93) = ( -0.3266022 0.3574675 0.5664648), wk = 0.0026738 k( 94) = ( -0.3335381 0.3650588 0.5561820), wk = 0.0026738 k( 95) = ( -0.3404740 0.3726502 0.5458992), wk = 0.0026738 k( 96) = ( -0.3474099 0.3802416 0.5356164), wk = 0.0026738 k( 97) = ( -0.3543459 0.3878330 0.5253336), wk = 0.0026738 k( 98) = ( -0.3543459 0.3878330 0.5253336), wk = 0.0026738 k( 99) = ( -0.3473979 0.3802284 0.5150330), wk = 0.0026738 k( 100) = ( -0.3404499 0.3726239 0.5047323), wk = 0.0026738 k( 101) = ( -0.3335020 0.3650193 0.4944317), wk = 0.0026738 k( 102) = ( -0.3265540 0.3574147 0.4841310), wk = 0.0026738 k( 103) = ( -0.3196061 0.3498102 0.4738303), wk = 0.0026738 k( 104) = ( -0.3126581 0.3422056 0.4635297), wk = 0.0026738 k( 105) = ( -0.3057102 0.3346010 0.4532290), wk = 0.0026738 k( 106) = ( -0.2987622 0.3269965 0.4429284), wk = 0.0026738 k( 107) = ( -0.2918142 0.3193919 0.4326277), wk = 0.0026738 k( 108) = ( -0.2848663 0.3117873 0.4223270), wk = 0.0026738 k( 109) = ( -0.2779183 0.3041827 0.4120264), wk = 0.0026738 k( 110) = ( -0.2709704 0.2965782 0.4017257), wk = 0.0026738 k( 111) = ( -0.2640224 0.2889736 0.3914251), wk = 0.0026738 k( 112) = ( -0.2570744 0.2813690 0.3811244), wk = 0.0026738 k( 113) = ( -0.2501265 0.2737645 0.3708237), wk = 0.0026738 k( 114) = ( -0.2431785 0.2661599 0.3605231), wk = 0.0026738 k( 115) = ( -0.2362306 0.2585553 0.3502224), wk = 0.0026738 k( 116) = ( -0.2292826 0.2509508 0.3399218), wk = 0.0026738 k( 117) = ( -0.2223346 0.2433462 0.3296211), wk = 0.0026738 k( 118) = ( -0.2153867 0.2357416 0.3193204), wk = 0.0026738 k( 119) = ( -0.2084387 0.2281371 0.3090198), wk = 0.0026738 k( 120) = ( -0.2014908 0.2205325 0.2987191), wk = 0.0026738 k( 121) = ( -0.1945428 0.2129279 0.2884185), wk = 0.0026738 k( 122) = ( -0.1875949 0.2053234 0.2781178), wk = 0.0026738 k( 123) = ( -0.1806469 0.1977188 0.2678171), wk = 0.0026738 k( 124) = ( -0.1736989 0.1901142 0.2575165), wk = 0.0026738 k( 125) = ( -0.1667510 0.1825097 0.2472158), wk = 0.0026738 k( 126) = ( -0.1598030 0.1749051 0.2369152), wk = 0.0026738 k( 127) = ( -0.1528551 0.1673005 0.2266145), wk = 0.0026738 k( 128) = ( -0.1459071 0.1596959 0.2163138), wk = 0.0026738 k( 129) = ( -0.1389592 0.1520914 0.2060132), wk = 0.0026738 k( 130) = ( -0.1320112 0.1444868 0.1957125), wk = 0.0026738 k( 131) = ( -0.1250632 0.1368822 0.1854119), wk = 0.0026738 k( 132) = ( -0.1181153 0.1292777 0.1751112), wk = 0.0026738 k( 133) = ( -0.1111673 0.1216731 0.1648106), wk = 0.0026738 k( 134) = ( -0.1042194 0.1140685 0.1545099), wk = 0.0026738 k( 135) = ( -0.0972714 0.1064640 0.1442092), wk = 0.0026738 k( 136) = ( -0.0903234 0.0988594 0.1339086), wk = 0.0026738 k( 137) = ( -0.0833755 0.0912548 0.1236079), wk = 0.0026738 k( 138) = ( -0.0764275 0.0836503 0.1133073), wk = 0.0026738 k( 139) = ( -0.0694796 0.0760457 0.1030066), wk = 0.0026738 k( 140) = ( -0.0625316 0.0684411 0.0927059), wk = 0.0026738 k( 141) = ( -0.0555837 0.0608365 0.0824053), wk = 0.0026738 k( 142) = ( -0.0486357 0.0532320 0.0721046), wk = 0.0026738 k( 143) = ( -0.0416878 0.0456274 0.0618040), wk = 0.0026738 k( 144) = ( -0.0347398 0.0380228 0.0515033), wk = 0.0026738 k( 145) = ( -0.0277918 0.0304183 0.0412026), wk = 0.0026738 k( 146) = ( -0.0208439 0.0228137 0.0309020), wk = 0.0026738 k( 147) = ( -0.0138959 0.0152091 0.0206013), wk = 0.0026738 k( 148) = ( -0.0069480 0.0076046 0.0103007), wk = 0.0026738 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 151) = ( 0.0106383 0.0097197 -0.0000000), wk = 0.0026738 k( 152) = ( 0.0212766 0.0194395 -0.0000000), wk = 0.0026738 k( 153) = ( 0.0319149 0.0291592 -0.0000000), wk = 0.0026738 k( 154) = ( 0.0425532 0.0388790 -0.0000000), wk = 0.0026738 k( 155) = ( 0.0531915 0.0485987 -0.0000000), wk = 0.0026738 k( 156) = ( 0.0638298 0.0583185 -0.0000000), wk = 0.0026738 k( 157) = ( 0.0744681 0.0680382 -0.0000000), wk = 0.0026738 k( 158) = ( 0.0851064 0.0777579 -0.0000000), wk = 0.0026738 k( 159) = ( 0.0957447 0.0874777 -0.0000000), wk = 0.0026738 k( 160) = ( 0.1063830 0.0971974 -0.0000000), wk = 0.0026738 k( 161) = ( 0.1170213 0.1069172 -0.0000000), wk = 0.0026738 k( 162) = ( 0.1276596 0.1166369 -0.0000000), wk = 0.0026738 k( 163) = ( 0.1382979 0.1263566 -0.0000000), wk = 0.0026738 k( 164) = ( 0.1489362 0.1360764 -0.0000000), wk = 0.0026738 k( 165) = ( 0.1595745 0.1457961 -0.0000000), wk = 0.0026738 k( 166) = ( 0.1702128 0.1555159 -0.0000000), wk = 0.0026738 k( 167) = ( 0.1808511 0.1652356 -0.0000000), wk = 0.0026738 k( 168) = ( 0.1914894 0.1749554 -0.0000000), wk = 0.0026738 k( 169) = ( 0.2021277 0.1846751 -0.0000000), wk = 0.0026738 k( 170) = ( 0.2127660 0.1943948 -0.0000000), wk = 0.0026738 k( 171) = ( 0.2234043 0.2041146 -0.0000000), wk = 0.0026738 k( 172) = ( 0.2340425 0.2138343 -0.0000000), wk = 0.0026738 k( 173) = ( 0.2446809 0.2235541 -0.0000000), wk = 0.0026738 k( 174) = ( 0.2553191 0.2332738 -0.0000000), wk = 0.0026738 k( 175) = ( 0.2659574 0.2429935 -0.0000000), wk = 0.0026738 k( 176) = ( 0.2765957 0.2527133 -0.0000000), wk = 0.0026738 k( 177) = ( 0.2872340 0.2624330 -0.0000000), wk = 0.0026738 k( 178) = ( 0.2978723 0.2721528 -0.0000000), wk = 0.0026738 k( 179) = ( 0.3085106 0.2818725 -0.0000000), wk = 0.0026738 k( 180) = ( 0.3191489 0.2915923 -0.0000000), wk = 0.0026738 k( 181) = ( 0.3297872 0.3013120 -0.0000000), wk = 0.0026738 k( 182) = ( 0.3404255 0.3110317 -0.0000000), wk = 0.0026738 k( 183) = ( 0.3510638 0.3207515 -0.0000000), wk = 0.0026738 k( 184) = ( 0.3617021 0.3304712 -0.0000000), wk = 0.0026738 k( 185) = ( 0.3723404 0.3401910 -0.0000000), wk = 0.0026738 k( 186) = ( 0.3829787 0.3499107 -0.0000000), wk = 0.0026738 k( 187) = ( 0.3936170 0.3596304 -0.0000000), wk = 0.0026738 k( 188) = ( 0.4042553 0.3693502 -0.0000000), wk = 0.0026738 k( 189) = ( 0.4148936 0.3790699 -0.0000000), wk = 0.0026738 k( 190) = ( 0.4255319 0.3887897 -0.0000000), wk = 0.0026738 k( 191) = ( 0.4361702 0.3985094 -0.0000000), wk = 0.0026738 k( 192) = ( 0.4468085 0.4082292 -0.0000000), wk = 0.0026738 k( 193) = ( 0.4574468 0.4179489 -0.0000000), wk = 0.0026738 k( 194) = ( 0.4680851 0.4276686 -0.0000000), wk = 0.0026738 k( 195) = ( 0.4787234 0.4373884 -0.0000000), wk = 0.0026738 k( 196) = ( 0.4893617 0.4471081 -0.0000000), wk = 0.0026738 k( 197) = ( 0.5000000 0.4568279 -0.0000000), wk = 0.0026738 k( 198) = ( 0.5000000 0.4568279 -0.0000000), wk = 0.0026738 k( 199) = ( 0.4930641 0.4644192 0.0102828), wk = 0.0026738 k( 200) = ( 0.4861282 0.4720106 0.0205656), wk = 0.0026738 k( 201) = ( 0.4791923 0.4796020 0.0308484), wk = 0.0026738 k( 202) = ( 0.4722563 0.4871934 0.0411312), wk = 0.0026738 k( 203) = ( 0.4653204 0.4947848 0.0514140), wk = 0.0026738 k( 204) = ( 0.4583845 0.5023762 0.0616968), wk = 0.0026738 k( 205) = ( 0.4514486 0.5099676 0.0719796), wk = 0.0026738 k( 206) = ( 0.4445127 0.5175589 0.0822624), wk = 0.0026738 k( 207) = ( 0.4375768 0.5251503 0.0925452), wk = 0.0026738 k( 208) = ( 0.4306409 0.5327417 0.1028280), wk = 0.0026738 k( 209) = ( 0.4237050 0.5403331 0.1131108), wk = 0.0026738 k( 210) = ( 0.4167691 0.5479245 0.1233936), wk = 0.0026738 k( 211) = ( 0.4098331 0.5555159 0.1336764), wk = 0.0026738 k( 212) = ( 0.4028972 0.5631073 0.1439592), wk = 0.0026738 k( 213) = ( 0.3959613 0.5706986 0.1542420), wk = 0.0026738 k( 214) = ( 0.3890254 0.5782900 0.1645248), wk = 0.0026738 k( 215) = ( 0.3820895 0.5858814 0.1748076), wk = 0.0026738 k( 216) = ( 0.3751536 0.5934728 0.1850904), wk = 0.0026738 k( 217) = ( 0.3682177 0.6010642 0.1953732), wk = 0.0026738 k( 218) = ( 0.3612818 0.6086556 0.2056560), wk = 0.0026738 k( 219) = ( 0.3543459 0.6162469 0.2159388), wk = 0.0026738 k( 220) = ( 0.3543459 0.6162469 0.2159388), wk = 0.0026738 k( 221) = ( 0.3416906 0.6121681 0.2214637), wk = 0.0026738 k( 222) = ( 0.3290354 0.6080893 0.2269886), wk = 0.0026738 k( 223) = ( 0.3163802 0.6040105 0.2325135), wk = 0.0026738 k( 224) = ( 0.3037250 0.5999317 0.2380384), wk = 0.0026738 k( 225) = ( 0.2910698 0.5958528 0.2435633), wk = 0.0026738 k( 226) = ( 0.2784146 0.5917740 0.2490883), wk = 0.0026738 k( 227) = ( 0.2657594 0.5876952 0.2546132), wk = 0.0026738 k( 228) = ( 0.2531042 0.5836164 0.2601381), wk = 0.0026738 k( 229) = ( 0.2404490 0.5795376 0.2656630), wk = 0.0026738 k( 230) = ( 0.2277938 0.5754587 0.2711879), wk = 0.0026738 k( 231) = ( 0.2151386 0.5713799 0.2767128), wk = 0.0026738 k( 232) = ( 0.2024833 0.5673011 0.2822377), wk = 0.0026738 k( 233) = ( 0.1898281 0.5632223 0.2877626), wk = 0.0026738 k( 234) = ( 0.1771729 0.5591435 0.2932875), wk = 0.0026738 k( 235) = ( 0.1645177 0.5550646 0.2988124), wk = 0.0026738 k( 236) = ( 0.1518625 0.5509858 0.3043373), wk = 0.0026738 k( 237) = ( 0.1392073 0.5469070 0.3098622), wk = 0.0026738 k( 238) = ( 0.1265521 0.5428282 0.3153871), wk = 0.0026738 k( 239) = ( 0.1138969 0.5387494 0.3209121), wk = 0.0026738 k( 240) = ( 0.1012417 0.5346705 0.3264370), wk = 0.0026738 k( 241) = ( 0.0885865 0.5305917 0.3319619), wk = 0.0026738 k( 242) = ( 0.0759313 0.5265129 0.3374868), wk = 0.0026738 k( 243) = ( 0.0632760 0.5224341 0.3430117), wk = 0.0026738 k( 244) = ( 0.0506208 0.5183553 0.3485366), wk = 0.0026738 k( 245) = ( 0.0379656 0.5142764 0.3540615), wk = 0.0026738 k( 246) = ( 0.0253104 0.5101976 0.3595864), wk = 0.0026738 k( 247) = ( 0.0126552 0.5061188 0.3651113), wk = 0.0026738 k( 248) = ( 0.0000000 0.5020400 0.3706362), wk = 0.0026738 k( 249) = ( 0.0000000 0.5020400 0.3706362), wk = 0.0026738 k( 250) = ( 0.0069444 0.4944393 0.3809317), wk = 0.0026738 k( 251) = ( 0.0138889 0.4868385 0.3912271), wk = 0.0026738 k( 252) = ( 0.0208333 0.4792378 0.4015226), wk = 0.0026738 k( 253) = ( 0.0277778 0.4716371 0.4118180), wk = 0.0026738 k( 254) = ( 0.0347222 0.4640364 0.4221135), wk = 0.0026738 k( 255) = ( 0.0416667 0.4564356 0.4324089), wk = 0.0026738 k( 256) = ( 0.0486111 0.4488349 0.4427044), wk = 0.0026738 k( 257) = ( 0.0555556 0.4412342 0.4529998), wk = 0.0026738 k( 258) = ( 0.0625000 0.4336335 0.4632953), wk = 0.0026738 k( 259) = ( 0.0694444 0.4260327 0.4735907), wk = 0.0026738 k( 260) = ( 0.0763889 0.4184320 0.4838862), wk = 0.0026738 k( 261) = ( 0.0833333 0.4108313 0.4941816), wk = 0.0026738 k( 262) = ( 0.0902778 0.4032306 0.5044771), wk = 0.0026738 k( 263) = ( 0.0972222 0.3956298 0.5147725), wk = 0.0026738 k( 264) = ( 0.1041667 0.3880291 0.5250680), wk = 0.0026738 k( 265) = ( 0.1111111 0.3804284 0.5353634), wk = 0.0026738 k( 266) = ( 0.1180556 0.3728277 0.5456589), wk = 0.0026738 k( 267) = ( 0.1250000 0.3652270 0.5559543), wk = 0.0026738 k( 268) = ( 0.1319444 0.3576262 0.5662498), wk = 0.0026738 k( 269) = ( 0.1388889 0.3500255 0.5765452), wk = 0.0026738 k( 270) = ( 0.1458333 0.3424248 0.5868407), wk = 0.0026738 k( 271) = ( 0.1527778 0.3348241 0.5971361), wk = 0.0026738 k( 272) = ( 0.1597222 0.3272233 0.6074316), wk = 0.0026738 k( 273) = ( 0.1666667 0.3196226 0.6177270), wk = 0.0026738 k( 274) = ( 0.1736111 0.3120219 0.6280225), wk = 0.0026738 k( 275) = ( 0.1805556 0.3044212 0.6383179), wk = 0.0026738 k( 276) = ( 0.1875000 0.2968204 0.6486134), wk = 0.0026738 k( 277) = ( 0.1944444 0.2892197 0.6589088), wk = 0.0026738 k( 278) = ( 0.2013889 0.2816190 0.6692043), wk = 0.0026738 k( 279) = ( 0.2083333 0.2740183 0.6794997), wk = 0.0026738 k( 280) = ( 0.2152778 0.2664175 0.6897952), wk = 0.0026738 k( 281) = ( 0.2222222 0.2588168 0.7000906), wk = 0.0026738 k( 282) = ( 0.2291667 0.2512161 0.7103861), wk = 0.0026738 k( 283) = ( 0.2361111 0.2436154 0.7206815), wk = 0.0026738 k( 284) = ( 0.2430556 0.2360147 0.7309770), wk = 0.0026738 k( 285) = ( 0.2500000 0.2284139 0.7412724), wk = 0.0026738 k( 286) = ( 0.2500000 0.2284139 0.7412724), wk = 0.0026738 k( 287) = ( 0.2578125 0.2355519 0.7316039), wk = 0.0026738 k( 288) = ( 0.2656250 0.2426898 0.7219353), wk = 0.0026738 k( 289) = ( 0.2734375 0.2498277 0.7122667), wk = 0.0026738 k( 290) = ( 0.2812500 0.2569657 0.7025981), wk = 0.0026738 k( 291) = ( 0.2890625 0.2641036 0.6929295), wk = 0.0026738 k( 292) = ( 0.2968750 0.2712415 0.6832609), wk = 0.0026738 k( 293) = ( 0.3046875 0.2783795 0.6735923), wk = 0.0026738 k( 294) = ( 0.3125000 0.2855174 0.6639237), wk = 0.0026738 k( 295) = ( 0.3203125 0.2926554 0.6542552), wk = 0.0026738 k( 296) = ( 0.3281250 0.2997933 0.6445866), wk = 0.0026738 k( 297) = ( 0.3359375 0.3069312 0.6349180), wk = 0.0026738 k( 298) = ( 0.3437500 0.3140692 0.6252494), wk = 0.0026738 k( 299) = ( 0.3515625 0.3212071 0.6155808), wk = 0.0026738 k( 300) = ( 0.3593750 0.3283450 0.6059122), wk = 0.0026738 k( 301) = ( 0.3671875 0.3354830 0.5962436), wk = 0.0026738 k( 302) = ( 0.3750000 0.3426209 0.5865750), wk = 0.0026738 k( 303) = ( 0.3828125 0.3497588 0.5769064), wk = 0.0026738 k( 304) = ( 0.3906250 0.3568968 0.5672379), wk = 0.0026738 k( 305) = ( 0.3984375 0.3640347 0.5575693), wk = 0.0026738 k( 306) = ( 0.4062500 0.3711726 0.5479007), wk = 0.0026738 k( 307) = ( 0.4140625 0.3783106 0.5382321), wk = 0.0026738 k( 308) = ( 0.4218750 0.3854485 0.5285635), wk = 0.0026738 k( 309) = ( 0.4296875 0.3925864 0.5188949), wk = 0.0026738 k( 310) = ( 0.4375000 0.3997244 0.5092263), wk = 0.0026738 k( 311) = ( 0.4453125 0.4068623 0.4995577), wk = 0.0026738 k( 312) = ( 0.4531250 0.4140003 0.4898892), wk = 0.0026738 k( 313) = ( 0.4609375 0.4211382 0.4802206), wk = 0.0026738 k( 314) = ( 0.4687500 0.4282761 0.4705520), wk = 0.0026738 k( 315) = ( 0.4765625 0.4354141 0.4608834), wk = 0.0026738 k( 316) = ( 0.4843750 0.4425520 0.4512148), wk = 0.0026738 k( 317) = ( 0.4921875 0.4496899 0.4415462), wk = 0.0026738 k( 318) = ( 0.5000000 0.4568279 0.4318776), wk = 0.0026738 k( 319) = ( 0.5000000 0.4568279 0.4318776), wk = 0.0026738 k( 320) = ( 0.5000000 0.4568279 0.4174817), wk = 0.0026738 k( 321) = ( 0.5000000 0.4568279 0.4030858), wk = 0.0026738 k( 322) = ( 0.5000000 0.4568279 0.3886899), wk = 0.0026738 k( 323) = ( 0.5000000 0.4568279 0.3742939), wk = 0.0026738 k( 324) = ( 0.5000000 0.4568279 0.3598980), wk = 0.0026738 k( 325) = ( 0.5000000 0.4568279 0.3455021), wk = 0.0026738 k( 326) = ( 0.5000000 0.4568279 0.3311062), wk = 0.0026738 k( 327) = ( 0.5000000 0.4568279 0.3167103), wk = 0.0026738 k( 328) = ( 0.5000000 0.4568279 0.3023143), wk = 0.0026738 k( 329) = ( 0.5000000 0.4568279 0.2879184), wk = 0.0026738 k( 330) = ( 0.5000000 0.4568279 0.2735225), wk = 0.0026738 k( 331) = ( 0.5000000 0.4568279 0.2591266), wk = 0.0026738 k( 332) = ( 0.5000000 0.4568279 0.2447307), wk = 0.0026738 k( 333) = ( 0.5000000 0.4568279 0.2303347), wk = 0.0026738 k( 334) = ( 0.5000000 0.4568279 0.2159388), wk = 0.0026738 k( 335) = ( 0.5000000 0.4568279 0.2015429), wk = 0.0026738 k( 336) = ( 0.5000000 0.4568279 0.1871470), wk = 0.0026738 k( 337) = ( 0.5000000 0.4568279 0.1727511), wk = 0.0026738 k( 338) = ( 0.5000000 0.4568279 0.1583551), wk = 0.0026738 k( 339) = ( 0.5000000 0.4568279 0.1439592), wk = 0.0026738 k( 340) = ( 0.5000000 0.4568279 0.1295633), wk = 0.0026738 k( 341) = ( 0.5000000 0.4568279 0.1151674), wk = 0.0026738 k( 342) = ( 0.5000000 0.4568279 0.1007715), wk = 0.0026738 k( 343) = ( 0.5000000 0.4568279 0.0863755), wk = 0.0026738 k( 344) = ( 0.5000000 0.4568279 0.0719796), wk = 0.0026738 k( 345) = ( 0.5000000 0.4568279 0.0575837), wk = 0.0026738 k( 346) = ( 0.5000000 0.4568279 0.0431878), wk = 0.0026738 k( 347) = ( 0.5000000 0.4568279 0.0287918), wk = 0.0026738 k( 348) = ( 0.5000000 0.4568279 0.0143959), wk = 0.0026738 k( 349) = ( 0.5000000 0.4568279 -0.0000000), wk = 0.0026738 k( 350) = ( 0.0000000 0.0000000 0.7412724), wk = 0.0026738 k( 351) = ( 0.0104167 0.0095173 0.7412724), wk = 0.0026738 k( 352) = ( 0.0208333 0.0190345 0.7412724), wk = 0.0026738 k( 353) = ( 0.0312500 0.0285517 0.7412724), wk = 0.0026738 k( 354) = ( 0.0416667 0.0380690 0.7412724), wk = 0.0026738 k( 355) = ( 0.0520833 0.0475862 0.7412724), wk = 0.0026738 k( 356) = ( 0.0625000 0.0571035 0.7412724), wk = 0.0026738 k( 357) = ( 0.0729167 0.0666207 0.7412724), wk = 0.0026738 k( 358) = ( 0.0833333 0.0761380 0.7412724), wk = 0.0026738 k( 359) = ( 0.0937500 0.0856552 0.7412724), wk = 0.0026738 k( 360) = ( 0.1041667 0.0951725 0.7412724), wk = 0.0026738 k( 361) = ( 0.1145833 0.1046897 0.7412724), wk = 0.0026738 k( 362) = ( 0.1250000 0.1142070 0.7412724), wk = 0.0026738 k( 363) = ( 0.1354167 0.1237242 0.7412724), wk = 0.0026738 k( 364) = ( 0.1458333 0.1332415 0.7412724), wk = 0.0026738 k( 365) = ( 0.1562500 0.1427587 0.7412724), wk = 0.0026738 k( 366) = ( 0.1666667 0.1522760 0.7412724), wk = 0.0026738 k( 367) = ( 0.1770833 0.1617932 0.7412724), wk = 0.0026738 k( 368) = ( 0.1875000 0.1713105 0.7412724), wk = 0.0026738 k( 369) = ( 0.1979167 0.1808277 0.7412724), wk = 0.0026738 k( 370) = ( 0.2083333 0.1903449 0.7412724), wk = 0.0026738 k( 371) = ( 0.2187500 0.1998622 0.7412724), wk = 0.0026738 k( 372) = ( 0.2291667 0.2093794 0.7412724), wk = 0.0026738 k( 373) = ( 0.2395833 0.2188967 0.7412724), wk = 0.0026738 k( 374) = ( 0.2500000 0.2284139 0.7412724), wk = 0.0026738 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0000000 0.0000000 0.0098039), wk = 0.0026738 k( 3) = ( 0.0000000 0.0000000 0.0196078), wk = 0.0026738 k( 4) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0026738 k( 5) = ( 0.0000000 0.0000000 0.0392157), wk = 0.0026738 k( 6) = ( 0.0000000 0.0000000 0.0490196), wk = 0.0026738 k( 7) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0026738 k( 8) = ( 0.0000000 0.0000000 0.0686275), wk = 0.0026738 k( 9) = ( 0.0000000 0.0000000 0.0784314), wk = 0.0026738 k( 10) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0026738 k( 11) = ( 0.0000000 0.0000000 0.0980392), wk = 0.0026738 k( 12) = ( 0.0000000 0.0000000 0.1078431), wk = 0.0026738 k( 13) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0026738 k( 14) = ( 0.0000000 0.0000000 0.1274510), wk = 0.0026738 k( 15) = ( 0.0000000 0.0000000 0.1372549), wk = 0.0026738 k( 16) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0026738 k( 17) = ( 0.0000000 0.0000000 0.1568627), wk = 0.0026738 k( 18) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026738 k( 19) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0026738 k( 20) = ( 0.0000000 0.0000000 0.1862745), wk = 0.0026738 k( 21) = ( 0.0000000 0.0000000 0.1960784), wk = 0.0026738 k( 22) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0026738 k( 23) = ( 0.0000000 0.0000000 0.2156863), wk = 0.0026738 k( 24) = ( 0.0000000 0.0000000 0.2254902), wk = 0.0026738 k( 25) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0026738 k( 26) = ( 0.0000000 0.0000000 0.2450980), wk = 0.0026738 k( 27) = ( 0.0000000 0.0000000 0.2549020), wk = 0.0026738 k( 28) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0026738 k( 29) = ( 0.0000000 0.0000000 0.2745098), wk = 0.0026738 k( 30) = ( 0.0000000 0.0000000 0.2843137), wk = 0.0026738 k( 31) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0026738 k( 32) = ( 0.0000000 0.0000000 0.3039216), wk = 0.0026738 k( 33) = ( 0.0000000 0.0000000 0.3137255), wk = 0.0026738 k( 34) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0026738 k( 35) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026738 k( 36) = ( 0.0000000 0.0000000 0.3431372), wk = 0.0026738 k( 37) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0026738 k( 38) = ( 0.0000000 0.0000000 0.3627451), wk = 0.0026738 k( 39) = ( 0.0000000 0.0000000 0.3725490), wk = 0.0026738 k( 40) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0026738 k( 41) = ( 0.0000000 0.0000000 0.3921569), wk = 0.0026738 k( 42) = ( 0.0000000 0.0000000 0.4019608), wk = 0.0026738 k( 43) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0026738 k( 44) = ( 0.0000000 0.0000000 0.4215686), wk = 0.0026738 k( 45) = ( 0.0000000 0.0000000 0.4313725), wk = 0.0026738 k( 46) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0026738 k( 47) = ( 0.0000000 0.0000000 0.4509804), wk = 0.0026738 k( 48) = ( 0.0000000 0.0000000 0.4607843), wk = 0.0026738 k( 49) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0026738 k( 50) = ( 0.0000000 0.0000000 0.4803922), wk = 0.0026738 k( 51) = ( 0.0000000 0.0000000 0.4901961), wk = 0.0026738 k( 52) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 53) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 54) = ( -0.0094860 0.0094860 0.5000000), wk = 0.0026738 k( 55) = ( -0.0189720 0.0189720 0.5000000), wk = 0.0026738 k( 56) = ( -0.0284580 0.0284580 0.5000000), wk = 0.0026738 k( 57) = ( -0.0379439 0.0379439 0.5000000), wk = 0.0026738 k( 58) = ( -0.0474299 0.0474299 0.5000000), wk = 0.0026738 k( 59) = ( -0.0569159 0.0569159 0.5000000), wk = 0.0026738 k( 60) = ( -0.0664019 0.0664019 0.5000000), wk = 0.0026738 k( 61) = ( -0.0758879 0.0758879 0.5000000), wk = 0.0026738 k( 62) = ( -0.0853739 0.0853739 0.5000000), wk = 0.0026738 k( 63) = ( -0.0948599 0.0948599 0.5000000), wk = 0.0026738 k( 64) = ( -0.1043459 0.1043459 0.5000000), wk = 0.0026738 k( 65) = ( -0.1138318 0.1138318 0.5000000), wk = 0.0026738 k( 66) = ( -0.1233178 0.1233178 0.5000000), wk = 0.0026738 k( 67) = ( -0.1328038 0.1328038 0.5000000), wk = 0.0026738 k( 68) = ( -0.1422898 0.1422898 0.5000000), wk = 0.0026738 k( 69) = ( -0.1517758 0.1517758 0.5000000), wk = 0.0026738 k( 70) = ( -0.1612618 0.1612618 0.5000000), wk = 0.0026738 k( 71) = ( -0.1707478 0.1707478 0.5000000), wk = 0.0026738 k( 72) = ( -0.1802337 0.1802337 0.5000000), wk = 0.0026738 k( 73) = ( -0.1897197 0.1897197 0.5000000), wk = 0.0026738 k( 74) = ( -0.1992057 0.1992057 0.5000000), wk = 0.0026738 k( 75) = ( -0.2086917 0.2086917 0.5000000), wk = 0.0026738 k( 76) = ( -0.2086917 0.2086917 0.5000000), wk = 0.0026738 k( 77) = ( -0.2156276 0.2156276 0.4930641), wk = 0.0026738 k( 78) = ( -0.2225635 0.2225635 0.4861282), wk = 0.0026738 k( 79) = ( -0.2294994 0.2294994 0.4791923), wk = 0.0026738 k( 80) = ( -0.2364353 0.2364354 0.4722563), wk = 0.0026738 k( 81) = ( -0.2433713 0.2433713 0.4653204), wk = 0.0026738 k( 82) = ( -0.2503072 0.2503072 0.4583845), wk = 0.0026738 k( 83) = ( -0.2572431 0.2572431 0.4514486), wk = 0.0026738 k( 84) = ( -0.2641790 0.2641790 0.4445127), wk = 0.0026738 k( 85) = ( -0.2711149 0.2711149 0.4375768), wk = 0.0026738 k( 86) = ( -0.2780508 0.2780508 0.4306409), wk = 0.0026738 k( 87) = ( -0.2849867 0.2849867 0.4237050), wk = 0.0026738 k( 88) = ( -0.2919226 0.2919226 0.4167691), wk = 0.0026738 k( 89) = ( -0.2988586 0.2988586 0.4098331), wk = 0.0026738 k( 90) = ( -0.3057945 0.3057945 0.4028972), wk = 0.0026738 k( 91) = ( -0.3127304 0.3127304 0.3959613), wk = 0.0026738 k( 92) = ( -0.3196663 0.3196663 0.3890254), wk = 0.0026738 k( 93) = ( -0.3266022 0.3266022 0.3820895), wk = 0.0026738 k( 94) = ( -0.3335381 0.3335381 0.3751536), wk = 0.0026738 k( 95) = ( -0.3404740 0.3404740 0.3682177), wk = 0.0026738 k( 96) = ( -0.3474099 0.3474099 0.3612818), wk = 0.0026738 k( 97) = ( -0.3543459 0.3543459 0.3543458), wk = 0.0026738 k( 98) = ( -0.3543459 0.3543459 0.3543458), wk = 0.0026738 k( 99) = ( -0.3473979 0.3473979 0.3473979), wk = 0.0026738 k( 100) = ( -0.3404499 0.3404499 0.3404499), wk = 0.0026738 k( 101) = ( -0.3335020 0.3335020 0.3335020), wk = 0.0026738 k( 102) = ( -0.3265540 0.3265540 0.3265540), wk = 0.0026738 k( 103) = ( -0.3196061 0.3196061 0.3196061), wk = 0.0026738 k( 104) = ( -0.3126581 0.3126581 0.3126581), wk = 0.0026738 k( 105) = ( -0.3057102 0.3057102 0.3057101), wk = 0.0026738 k( 106) = ( -0.2987622 0.2987622 0.2987622), wk = 0.0026738 k( 107) = ( -0.2918142 0.2918142 0.2918142), wk = 0.0026738 k( 108) = ( -0.2848663 0.2848663 0.2848663), wk = 0.0026738 k( 109) = ( -0.2779183 0.2779183 0.2779183), wk = 0.0026738 k( 110) = ( -0.2709704 0.2709704 0.2709704), wk = 0.0026738 k( 111) = ( -0.2640224 0.2640224 0.2640224), wk = 0.0026738 k( 112) = ( -0.2570744 0.2570744 0.2570744), wk = 0.0026738 k( 113) = ( -0.2501265 0.2501265 0.2501265), wk = 0.0026738 k( 114) = ( -0.2431785 0.2431785 0.2431785), wk = 0.0026738 k( 115) = ( -0.2362306 0.2362306 0.2362306), wk = 0.0026738 k( 116) = ( -0.2292826 0.2292826 0.2292826), wk = 0.0026738 k( 117) = ( -0.2223346 0.2223346 0.2223346), wk = 0.0026738 k( 118) = ( -0.2153867 0.2153867 0.2153867), wk = 0.0026738 k( 119) = ( -0.2084387 0.2084387 0.2084387), wk = 0.0026738 k( 120) = ( -0.2014908 0.2014908 0.2014908), wk = 0.0026738 k( 121) = ( -0.1945428 0.1945428 0.1945428), wk = 0.0026738 k( 122) = ( -0.1875949 0.1875949 0.1875949), wk = 0.0026738 k( 123) = ( -0.1806469 0.1806469 0.1806469), wk = 0.0026738 k( 124) = ( -0.1736989 0.1736989 0.1736989), wk = 0.0026738 k( 125) = ( -0.1667510 0.1667510 0.1667510), wk = 0.0026738 k( 126) = ( -0.1598030 0.1598030 0.1598030), wk = 0.0026738 k( 127) = ( -0.1528551 0.1528551 0.1528551), wk = 0.0026738 k( 128) = ( -0.1459071 0.1459071 0.1459071), wk = 0.0026738 k( 129) = ( -0.1389592 0.1389592 0.1389592), wk = 0.0026738 k( 130) = ( -0.1320112 0.1320112 0.1320112), wk = 0.0026738 k( 131) = ( -0.1250632 0.1250632 0.1250632), wk = 0.0026738 k( 132) = ( -0.1181153 0.1181153 0.1181153), wk = 0.0026738 k( 133) = ( -0.1111673 0.1111673 0.1111673), wk = 0.0026738 k( 134) = ( -0.1042194 0.1042194 0.1042194), wk = 0.0026738 k( 135) = ( -0.0972714 0.0972714 0.0972714), wk = 0.0026738 k( 136) = ( -0.0903234 0.0903234 0.0903234), wk = 0.0026738 k( 137) = ( -0.0833755 0.0833755 0.0833755), wk = 0.0026738 k( 138) = ( -0.0764275 0.0764275 0.0764275), wk = 0.0026738 k( 139) = ( -0.0694796 0.0694796 0.0694796), wk = 0.0026738 k( 140) = ( -0.0625316 0.0625316 0.0625316), wk = 0.0026738 k( 141) = ( -0.0555837 0.0555837 0.0555837), wk = 0.0026738 k( 142) = ( -0.0486357 0.0486357 0.0486357), wk = 0.0026738 k( 143) = ( -0.0416878 0.0416878 0.0416877), wk = 0.0026738 k( 144) = ( -0.0347398 0.0347398 0.0347398), wk = 0.0026738 k( 145) = ( -0.0277918 0.0277918 0.0277918), wk = 0.0026738 k( 146) = ( -0.0208439 0.0208439 0.0208439), wk = 0.0026738 k( 147) = ( -0.0138959 0.0138959 0.0138959), wk = 0.0026738 k( 148) = ( -0.0069480 0.0069480 0.0069480), wk = 0.0026738 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 151) = ( 0.0106383 0.0106383 -0.0106383), wk = 0.0026738 k( 152) = ( 0.0212766 0.0212766 -0.0212766), wk = 0.0026738 k( 153) = ( 0.0319149 0.0319149 -0.0319149), wk = 0.0026738 k( 154) = ( 0.0425532 0.0425532 -0.0425532), wk = 0.0026738 k( 155) = ( 0.0531915 0.0531915 -0.0531915), wk = 0.0026738 k( 156) = ( 0.0638298 0.0638298 -0.0638298), wk = 0.0026738 k( 157) = ( 0.0744681 0.0744681 -0.0744681), wk = 0.0026738 k( 158) = ( 0.0851064 0.0851064 -0.0851064), wk = 0.0026738 k( 159) = ( 0.0957447 0.0957447 -0.0957447), wk = 0.0026738 k( 160) = ( 0.1063830 0.1063830 -0.1063830), wk = 0.0026738 k( 161) = ( 0.1170213 0.1170213 -0.1170213), wk = 0.0026738 k( 162) = ( 0.1276596 0.1276596 -0.1276596), wk = 0.0026738 k( 163) = ( 0.1382979 0.1382979 -0.1382979), wk = 0.0026738 k( 164) = ( 0.1489362 0.1489362 -0.1489362), wk = 0.0026738 k( 165) = ( 0.1595745 0.1595745 -0.1595745), wk = 0.0026738 k( 166) = ( 0.1702128 0.1702128 -0.1702128), wk = 0.0026738 k( 167) = ( 0.1808511 0.1808511 -0.1808511), wk = 0.0026738 k( 168) = ( 0.1914894 0.1914894 -0.1914894), wk = 0.0026738 k( 169) = ( 0.2021277 0.2021277 -0.2021277), wk = 0.0026738 k( 170) = ( 0.2127660 0.2127660 -0.2127660), wk = 0.0026738 k( 171) = ( 0.2234043 0.2234043 -0.2234043), wk = 0.0026738 k( 172) = ( 0.2340425 0.2340425 -0.2340425), wk = 0.0026738 k( 173) = ( 0.2446809 0.2446808 -0.2446809), wk = 0.0026738 k( 174) = ( 0.2553191 0.2553191 -0.2553191), wk = 0.0026738 k( 175) = ( 0.2659574 0.2659574 -0.2659574), wk = 0.0026738 k( 176) = ( 0.2765957 0.2765957 -0.2765957), wk = 0.0026738 k( 177) = ( 0.2872340 0.2872340 -0.2872340), wk = 0.0026738 k( 178) = ( 0.2978723 0.2978723 -0.2978723), wk = 0.0026738 k( 179) = ( 0.3085106 0.3085106 -0.3085106), wk = 0.0026738 k( 180) = ( 0.3191489 0.3191489 -0.3191489), wk = 0.0026738 k( 181) = ( 0.3297872 0.3297872 -0.3297872), wk = 0.0026738 k( 182) = ( 0.3404255 0.3404255 -0.3404255), wk = 0.0026738 k( 183) = ( 0.3510638 0.3510638 -0.3510638), wk = 0.0026738 k( 184) = ( 0.3617021 0.3617021 -0.3617021), wk = 0.0026738 k( 185) = ( 0.3723404 0.3723404 -0.3723404), wk = 0.0026738 k( 186) = ( 0.3829787 0.3829787 -0.3829787), wk = 0.0026738 k( 187) = ( 0.3936170 0.3936170 -0.3936170), wk = 0.0026738 k( 188) = ( 0.4042553 0.4042553 -0.4042553), wk = 0.0026738 k( 189) = ( 0.4148936 0.4148936 -0.4148936), wk = 0.0026738 k( 190) = ( 0.4255319 0.4255319 -0.4255319), wk = 0.0026738 k( 191) = ( 0.4361702 0.4361702 -0.4361702), wk = 0.0026738 k( 192) = ( 0.4468085 0.4468085 -0.4468085), wk = 0.0026738 k( 193) = ( 0.4574468 0.4574468 -0.4574468), wk = 0.0026738 k( 194) = ( 0.4680851 0.4680851 -0.4680851), wk = 0.0026738 k( 195) = ( 0.4787234 0.4787234 -0.4787234), wk = 0.0026738 k( 196) = ( 0.4893617 0.4893617 -0.4893617), wk = 0.0026738 k( 197) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026738 k( 198) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026738 k( 199) = ( 0.4930641 0.5069359 -0.4930641), wk = 0.0026738 k( 200) = ( 0.4861282 0.5138718 -0.4861282), wk = 0.0026738 k( 201) = ( 0.4791923 0.5208077 -0.4791923), wk = 0.0026738 k( 202) = ( 0.4722563 0.5277436 -0.4722563), wk = 0.0026738 k( 203) = ( 0.4653204 0.5346796 -0.4653204), wk = 0.0026738 k( 204) = ( 0.4583845 0.5416155 -0.4583845), wk = 0.0026738 k( 205) = ( 0.4514486 0.5485514 -0.4514486), wk = 0.0026738 k( 206) = ( 0.4445127 0.5554873 -0.4445127), wk = 0.0026738 k( 207) = ( 0.4375768 0.5624232 -0.4375768), wk = 0.0026738 k( 208) = ( 0.4306409 0.5693591 -0.4306409), wk = 0.0026738 k( 209) = ( 0.4237050 0.5762950 -0.4237050), wk = 0.0026738 k( 210) = ( 0.4167691 0.5832309 -0.4167691), wk = 0.0026738 k( 211) = ( 0.4098331 0.5901669 -0.4098332), wk = 0.0026738 k( 212) = ( 0.4028972 0.5971028 -0.4028972), wk = 0.0026738 k( 213) = ( 0.3959613 0.6040387 -0.3959613), wk = 0.0026738 k( 214) = ( 0.3890254 0.6109746 -0.3890254), wk = 0.0026738 k( 215) = ( 0.3820895 0.6179105 -0.3820895), wk = 0.0026738 k( 216) = ( 0.3751536 0.6248464 -0.3751536), wk = 0.0026738 k( 217) = ( 0.3682177 0.6317823 -0.3682177), wk = 0.0026738 k( 218) = ( 0.3612818 0.6387182 -0.3612818), wk = 0.0026738 k( 219) = ( 0.3543459 0.6456542 -0.3543459), wk = 0.0026738 k( 220) = ( 0.3543459 0.6456542 -0.3543459), wk = 0.0026738 k( 221) = ( 0.3416906 0.6404522 -0.3416906), wk = 0.0026738 k( 222) = ( 0.3290354 0.6352503 -0.3290354), wk = 0.0026738 k( 223) = ( 0.3163802 0.6300484 -0.3163802), wk = 0.0026738 k( 224) = ( 0.3037250 0.6248464 -0.3037250), wk = 0.0026738 k( 225) = ( 0.2910698 0.6196445 -0.2910698), wk = 0.0026738 k( 226) = ( 0.2784146 0.6144426 -0.2784146), wk = 0.0026738 k( 227) = ( 0.2657594 0.6092406 -0.2657594), wk = 0.0026738 k( 228) = ( 0.2531042 0.6040387 -0.2531042), wk = 0.0026738 k( 229) = ( 0.2404490 0.5988367 -0.2404490), wk = 0.0026738 k( 230) = ( 0.2277938 0.5936348 -0.2277938), wk = 0.0026738 k( 231) = ( 0.2151386 0.5884329 -0.2151386), wk = 0.0026738 k( 232) = ( 0.2024833 0.5832309 -0.2024833), wk = 0.0026738 k( 233) = ( 0.1898281 0.5780290 -0.1898281), wk = 0.0026738 k( 234) = ( 0.1771729 0.5728271 -0.1771729), wk = 0.0026738 k( 235) = ( 0.1645177 0.5676251 -0.1645177), wk = 0.0026738 k( 236) = ( 0.1518625 0.5624232 -0.1518625), wk = 0.0026738 k( 237) = ( 0.1392073 0.5572213 -0.1392073), wk = 0.0026738 k( 238) = ( 0.1265521 0.5520193 -0.1265521), wk = 0.0026738 k( 239) = ( 0.1138969 0.5468174 -0.1138969), wk = 0.0026738 k( 240) = ( 0.1012417 0.5416155 -0.1012417), wk = 0.0026738 k( 241) = ( 0.0885865 0.5364135 -0.0885865), wk = 0.0026738 k( 242) = ( 0.0759313 0.5312116 -0.0759312), wk = 0.0026738 k( 243) = ( 0.0632760 0.5260097 -0.0632760), wk = 0.0026738 k( 244) = ( 0.0506208 0.5208077 -0.0506208), wk = 0.0026738 k( 245) = ( 0.0379656 0.5156058 -0.0379656), wk = 0.0026738 k( 246) = ( 0.0253104 0.5104039 -0.0253104), wk = 0.0026738 k( 247) = ( 0.0126552 0.5052019 -0.0126552), wk = 0.0026738 k( 248) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026738 k( 249) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026738 k( 250) = ( 0.0069444 0.4930556 0.0069444), wk = 0.0026738 k( 251) = ( 0.0138889 0.4861111 0.0138889), wk = 0.0026738 k( 252) = ( 0.0208333 0.4791667 0.0208333), wk = 0.0026738 k( 253) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0026738 k( 254) = ( 0.0347222 0.4652778 0.0347222), wk = 0.0026738 k( 255) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0026738 k( 256) = ( 0.0486111 0.4513889 0.0486111), wk = 0.0026738 k( 257) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0026738 k( 258) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0026738 k( 259) = ( 0.0694444 0.4305556 0.0694444), wk = 0.0026738 k( 260) = ( 0.0763889 0.4236111 0.0763889), wk = 0.0026738 k( 261) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0026738 k( 262) = ( 0.0902778 0.4097222 0.0902778), wk = 0.0026738 k( 263) = ( 0.0972222 0.4027778 0.0972222), wk = 0.0026738 k( 264) = ( 0.1041667 0.3958333 0.1041667), wk = 0.0026738 k( 265) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0026738 k( 266) = ( 0.1180556 0.3819444 0.1180556), wk = 0.0026738 k( 267) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0026738 k( 268) = ( 0.1319444 0.3680556 0.1319444), wk = 0.0026738 k( 269) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0026738 k( 270) = ( 0.1458333 0.3541667 0.1458333), wk = 0.0026738 k( 271) = ( 0.1527778 0.3472222 0.1527778), wk = 0.0026738 k( 272) = ( 0.1597222 0.3402778 0.1597222), wk = 0.0026738 k( 273) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0026738 k( 274) = ( 0.1736111 0.3263889 0.1736111), wk = 0.0026738 k( 275) = ( 0.1805556 0.3194444 0.1805556), wk = 0.0026738 k( 276) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0026738 k( 277) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0026738 k( 278) = ( 0.2013889 0.2986111 0.2013889), wk = 0.0026738 k( 279) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0026738 k( 280) = ( 0.2152778 0.2847222 0.2152778), wk = 0.0026738 k( 281) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0026738 k( 282) = ( 0.2291667 0.2708333 0.2291667), wk = 0.0026738 k( 283) = ( 0.2361111 0.2638889 0.2361111), wk = 0.0026738 k( 284) = ( 0.2430556 0.2569444 0.2430556), wk = 0.0026738 k( 285) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026738 k( 286) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026738 k( 287) = ( 0.2578125 0.2578125 0.2356659), wk = 0.0026738 k( 288) = ( 0.2656250 0.2656250 0.2213318), wk = 0.0026738 k( 289) = ( 0.2734375 0.2734375 0.2069977), wk = 0.0026738 k( 290) = ( 0.2812500 0.2812500 0.1926635), wk = 0.0026738 k( 291) = ( 0.2890625 0.2890625 0.1783294), wk = 0.0026738 k( 292) = ( 0.2968750 0.2968750 0.1639953), wk = 0.0026738 k( 293) = ( 0.3046875 0.3046875 0.1496612), wk = 0.0026738 k( 294) = ( 0.3125000 0.3125000 0.1353271), wk = 0.0026738 k( 295) = ( 0.3203125 0.3203125 0.1209930), wk = 0.0026738 k( 296) = ( 0.3281250 0.3281250 0.1066588), wk = 0.0026738 k( 297) = ( 0.3359375 0.3359375 0.0923247), wk = 0.0026738 k( 298) = ( 0.3437500 0.3437500 0.0779906), wk = 0.0026738 k( 299) = ( 0.3515625 0.3515625 0.0636565), wk = 0.0026738 k( 300) = ( 0.3593750 0.3593750 0.0493224), wk = 0.0026738 k( 301) = ( 0.3671875 0.3671875 0.0349883), wk = 0.0026738 k( 302) = ( 0.3750000 0.3750000 0.0206542), wk = 0.0026738 k( 303) = ( 0.3828125 0.3828125 0.0063200), wk = 0.0026738 k( 304) = ( 0.3906250 0.3906250 -0.0080141), wk = 0.0026738 k( 305) = ( 0.3984375 0.3984375 -0.0223482), wk = 0.0026738 k( 306) = ( 0.4062500 0.4062500 -0.0366823), wk = 0.0026738 k( 307) = ( 0.4140625 0.4140625 -0.0510164), wk = 0.0026738 k( 308) = ( 0.4218750 0.4218750 -0.0653505), wk = 0.0026738 k( 309) = ( 0.4296875 0.4296875 -0.0796847), wk = 0.0026738 k( 310) = ( 0.4375000 0.4375000 -0.0940188), wk = 0.0026738 k( 311) = ( 0.4453125 0.4453125 -0.1083529), wk = 0.0026738 k( 312) = ( 0.4531250 0.4531250 -0.1226870), wk = 0.0026738 k( 313) = ( 0.4609375 0.4609375 -0.1370211), wk = 0.0026738 k( 314) = ( 0.4687500 0.4687500 -0.1513552), wk = 0.0026738 k( 315) = ( 0.4765625 0.4765625 -0.1656894), wk = 0.0026738 k( 316) = ( 0.4843750 0.4843750 -0.1800235), wk = 0.0026738 k( 317) = ( 0.4921875 0.4921875 -0.1943576), wk = 0.0026738 k( 318) = ( 0.5000000 0.5000000 -0.2086917), wk = 0.0026738 k( 319) = ( 0.5000000 0.5000000 -0.2086917), wk = 0.0026738 k( 320) = ( 0.5000000 0.5000000 -0.2184020), wk = 0.0026738 k( 321) = ( 0.5000000 0.5000000 -0.2281122), wk = 0.0026738 k( 322) = ( 0.5000000 0.5000000 -0.2378225), wk = 0.0026738 k( 323) = ( 0.5000000 0.5000000 -0.2475328), wk = 0.0026738 k( 324) = ( 0.5000000 0.5000000 -0.2572431), wk = 0.0026738 k( 325) = ( 0.5000000 0.5000000 -0.2669534), wk = 0.0026738 k( 326) = ( 0.5000000 0.5000000 -0.2766636), wk = 0.0026738 k( 327) = ( 0.5000000 0.5000000 -0.2863739), wk = 0.0026738 k( 328) = ( 0.5000000 0.5000000 -0.2960842), wk = 0.0026738 k( 329) = ( 0.5000000 0.5000000 -0.3057945), wk = 0.0026738 k( 330) = ( 0.5000000 0.5000000 -0.3155047), wk = 0.0026738 k( 331) = ( 0.5000000 0.5000000 -0.3252150), wk = 0.0026738 k( 332) = ( 0.5000000 0.5000000 -0.3349253), wk = 0.0026738 k( 333) = ( 0.5000000 0.5000000 -0.3446356), wk = 0.0026738 k( 334) = ( 0.5000000 0.5000000 -0.3543459), wk = 0.0026738 k( 335) = ( 0.5000000 0.5000000 -0.3640561), wk = 0.0026738 k( 336) = ( 0.5000000 0.5000000 -0.3737664), wk = 0.0026738 k( 337) = ( 0.5000000 0.5000000 -0.3834767), wk = 0.0026738 k( 338) = ( 0.5000000 0.5000000 -0.3931870), wk = 0.0026738 k( 339) = ( 0.5000000 0.5000000 -0.4028972), wk = 0.0026738 k( 340) = ( 0.5000000 0.5000000 -0.4126075), wk = 0.0026738 k( 341) = ( 0.5000000 0.5000000 -0.4223178), wk = 0.0026738 k( 342) = ( 0.5000000 0.5000000 -0.4320281), wk = 0.0026738 k( 343) = ( 0.5000000 0.5000000 -0.4417383), wk = 0.0026738 k( 344) = ( 0.5000000 0.5000000 -0.4514486), wk = 0.0026738 k( 345) = ( 0.5000000 0.5000000 -0.4611589), wk = 0.0026738 k( 346) = ( 0.5000000 0.5000000 -0.4708692), wk = 0.0026738 k( 347) = ( 0.5000000 0.5000000 -0.4805794), wk = 0.0026738 k( 348) = ( 0.5000000 0.5000000 -0.4902897), wk = 0.0026738 k( 349) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026738 k( 350) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 351) = ( 0.0104167 0.0104167 0.4895833), wk = 0.0026738 k( 352) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0026738 k( 353) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0026738 k( 354) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0026738 k( 355) = ( 0.0520833 0.0520833 0.4479167), wk = 0.0026738 k( 356) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0026738 k( 357) = ( 0.0729167 0.0729167 0.4270833), wk = 0.0026738 k( 358) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0026738 k( 359) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0026738 k( 360) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0026738 k( 361) = ( 0.1145833 0.1145833 0.3854167), wk = 0.0026738 k( 362) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0026738 k( 363) = ( 0.1354167 0.1354167 0.3645833), wk = 0.0026738 k( 364) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0026738 k( 365) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0026738 k( 366) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0026738 k( 367) = ( 0.1770833 0.1770833 0.3229167), wk = 0.0026738 k( 368) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0026738 k( 369) = ( 0.1979167 0.1979167 0.3020833), wk = 0.0026738 k( 370) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0026738 k( 371) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0026738 k( 372) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0026738 k( 373) = ( 0.2395833 0.2395833 0.2604167), wk = 0.0026738 k( 374) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026738 Dense grid: 61789 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 454, 42) NL pseudopotentials 0.41 Mb ( 227, 118) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1716) G-vector shells 0.01 Mb ( 794) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.16 Mb ( 454, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.15 Mb ( 118, 2, 42) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./LiSiBO4.save/charge-density.dat Starting wfc are 58 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.1 secs Computing kpt #: 4 total cpu time spent up to now is 5.7 secs Computing kpt #: 5 total cpu time spent up to now is 6.3 secs Computing kpt #: 6 total cpu time spent up to now is 6.8 secs Computing kpt #: 7 total cpu time spent up to now is 7.4 secs Computing kpt #: 8 total cpu time spent up to now is 8.0 secs Computing kpt #: 9 total cpu time spent up to now is 8.6 secs Computing kpt #: 10 total cpu time spent up to now is 9.2 secs Computing kpt #: 11 total cpu time spent up to now is 9.7 secs Computing kpt #: 12 total cpu time spent up to now is 10.3 secs Computing kpt #: 13 total cpu time spent up to now is 10.8 secs Computing kpt #: 14 total cpu time spent up to now is 11.4 secs Computing kpt #: 15 total cpu time spent up to now is 12.0 secs Computing kpt #: 16 total cpu time spent up to now is 12.6 secs Computing kpt #: 17 total cpu time spent up to now is 13.2 secs Computing kpt #: 18 total cpu time spent up to now is 13.8 secs Computing kpt #: 19 total cpu time spent up to now is 14.4 secs Computing kpt #: 20 total cpu time spent up to now is 15.0 secs Computing kpt #: 21 total cpu time spent up to now is 15.5 secs Computing kpt #: 22 total cpu time spent up to now is 16.1 secs Computing kpt #: 23 total cpu time spent up to now is 16.7 secs Computing kpt #: 24 total cpu time spent up to now is 17.3 secs Computing kpt #: 25 total cpu time spent up to now is 17.8 secs Computing kpt #: 26 total cpu time spent up to now is 18.4 secs Computing kpt #: 27 total cpu time spent up to now is 19.1 secs Computing kpt #: 28 total cpu time spent up to now is 19.6 secs Computing kpt #: 29 total cpu time spent up to now is 20.3 secs Computing kpt #: 30 total cpu time spent up to now is 20.9 secs Computing kpt #: 31 total cpu time spent up to now is 21.5 secs Computing kpt #: 32 total cpu time spent up to now is 22.0 secs Computing kpt #: 33 total cpu time spent up to now is 22.6 secs Computing kpt #: 34 total cpu time spent up to now is 23.2 secs Computing kpt #: 35 total cpu time spent up to now is 23.8 secs Computing kpt #: 36 total cpu time spent up to now is 24.3 secs Computing kpt #: 37 total cpu time spent up to now is 24.9 secs Computing kpt #: 38 total cpu time spent up to now is 25.5 secs Computing kpt #: 39 total cpu time spent up to now is 26.0 secs Computing kpt #: 40 total cpu time spent up to now is 26.6 secs Computing kpt #: 41 total cpu time spent up to now is 27.2 secs Computing kpt #: 42 total cpu time spent up to now is 27.7 secs Computing kpt #: 43 total cpu time spent up to now is 28.3 secs Computing kpt #: 44 total cpu time spent up to now is 28.8 secs Computing kpt #: 45 total cpu time spent up to now is 29.4 secs Computing kpt #: 46 total cpu time spent up to now is 30.0 secs Computing kpt #: 47 total cpu time spent up to now is 30.5 secs Computing kpt #: 48 total cpu time spent up to now is 31.0 secs Computing kpt #: 49 total cpu time spent up to now is 31.6 secs Computing kpt #: 50 total cpu time spent up to now is 32.2 secs Computing kpt #: 51 total cpu time spent up to now is 32.8 secs Computing kpt #: 52 total cpu time spent up to now is 33.4 secs Computing kpt #: 53 total cpu time spent up to now is 34.0 secs Computing kpt #: 54 total cpu time spent up to now is 34.6 secs Computing kpt #: 55 total cpu time spent up to now is 35.2 secs Computing kpt #: 56 total cpu time spent up to now is 35.7 secs Computing kpt #: 57 total cpu time spent up to now is 36.3 secs Computing kpt #: 58 total cpu time spent up to now is 36.9 secs Computing kpt #: 59 total cpu time spent up to now is 37.4 secs Computing kpt #: 60 total cpu time spent up to now is 38.0 secs Computing kpt #: 61 total cpu time spent up to now is 38.6 secs Computing kpt #: 62 total cpu time spent up to now is 39.2 secs Computing kpt #: 63 total cpu time spent up to now is 39.8 secs Computing kpt #: 64 total cpu time spent up to now is 40.4 secs Computing kpt #: 65 total cpu time spent up to now is 40.9 secs Computing kpt #: 66 total cpu time spent up to now is 41.5 secs Computing kpt #: 67 total cpu time spent up to now is 42.2 secs Computing kpt #: 68 total cpu time spent up to now is 42.7 secs Computing kpt #: 69 total cpu time spent up to now is 43.3 secs Computing kpt #: 70 total cpu time spent up to now is 43.9 secs Computing kpt #: 71 total cpu time spent up to now is 44.5 secs Computing kpt #: 72 total cpu time spent up to now is 45.1 secs Computing kpt #: 73 total cpu time spent up to now is 45.6 secs Computing kpt #: 74 total cpu time spent up to now is 46.2 secs Computing kpt #: 75 total cpu time spent up to now is 46.9 secs Computing kpt #: 76 total cpu time spent up to now is 47.5 secs Computing kpt #: 77 total cpu time spent up to now is 48.1 secs Computing kpt #: 78 total cpu time spent up to now is 48.6 secs Computing kpt #: 79 total cpu time spent up to now is 49.2 secs Computing kpt #: 80 total cpu time spent up to now is 49.8 secs Computing kpt #: 81 total cpu time spent up to now is 50.4 secs Computing kpt #: 82 total cpu time spent up to now is 51.0 secs Computing kpt #: 83 total cpu time spent up to now is 51.6 secs Computing kpt #: 84 total cpu time spent up to now is 52.1 secs Computing kpt #: 85 total cpu time spent up to now is 52.7 secs Computing kpt #: 86 total cpu time spent up to now is 53.3 secs Computing kpt #: 87 total cpu time spent up to now is 53.9 secs Computing kpt #: 88 total cpu time spent up to now is 54.5 secs Computing kpt #: 89 total cpu time spent up to now is 55.1 secs Computing kpt #: 90 total cpu time spent up to now is 55.7 secs Computing kpt #: 91 total cpu time spent up to now is 56.3 secs Computing kpt #: 92 total cpu time spent up to now is 56.9 secs Computing kpt #: 93 total cpu time spent up to now is 57.5 secs Computing kpt #: 94 total cpu time spent up to now is 58.1 secs Computing kpt #: 95 total cpu time spent up to now is 58.7 secs Computing kpt #: 96 total cpu time spent up to now is 59.3 secs Computing kpt #: 97 total cpu time spent up to now is 59.9 secs Computing kpt #: 98 total cpu time spent up to now is 60.5 secs Computing kpt #: 99 total cpu time spent up to now is 61.1 secs Computing kpt #: 100 total cpu time spent up to now is 61.7 secs Computing kpt #: 101 total cpu time spent up to now is 62.2 secs Computing kpt #: 102 total cpu time spent up to now is 62.8 secs Computing kpt #: 103 total cpu time spent up to now is 63.5 secs Computing kpt #: 104 total cpu time spent up to now is 64.0 secs Computing kpt #: 105 total cpu time spent up to now is 64.6 secs Computing kpt #: 106 total cpu time spent up to now is 65.2 secs Computing kpt #: 107 total cpu time spent up to now is 65.7 secs Computing kpt #: 108 total cpu time spent up to now is 66.3 secs Computing kpt #: 109 total cpu time spent up to now is 66.9 secs Computing kpt #: 110 total cpu time spent up to now is 67.4 secs Computing kpt #: 111 total cpu time spent up to now is 68.0 secs Computing kpt #: 112 total cpu time spent up to now is 68.6 secs Computing kpt #: 113 total cpu time spent up to now is 69.2 secs Computing kpt #: 114 total cpu time spent up to now is 69.9 secs Computing kpt #: 115 total cpu time spent up to now is 70.4 secs Computing kpt #: 116 total cpu time spent up to now is 71.0 secs Computing kpt #: 117 total cpu time spent up to now is 71.6 secs Computing kpt #: 118 total cpu time spent up to now is 72.1 secs Computing kpt #: 119 total cpu time spent up to now is 72.7 secs Computing kpt #: 120 total cpu time spent up to now is 73.2 secs Computing kpt #: 121 total cpu time spent up to now is 73.8 secs Computing kpt #: 122 total cpu time spent up to now is 74.4 secs Computing kpt #: 123 total cpu time spent up to now is 75.0 secs Computing kpt #: 124 total cpu time spent up to now is 75.6 secs Computing kpt #: 125 total cpu time spent up to now is 76.3 secs Computing kpt #: 126 total cpu time spent up to now is 76.9 secs Computing kpt #: 127 total cpu time spent up to now is 77.5 secs Computing kpt #: 128 total cpu time spent up to now is 78.1 secs Computing kpt #: 129 total cpu time spent up to now is 78.6 secs Computing kpt #: 130 total cpu time spent up to now is 79.3 secs Computing kpt #: 131 total cpu time spent up to now is 79.9 secs Computing kpt #: 132 total cpu time spent up to now is 80.5 secs Computing kpt #: 133 total cpu time spent up to now is 81.1 secs Computing kpt #: 134 total cpu time spent up to now is 81.6 secs Computing kpt #: 135 total cpu time spent up to now is 82.2 secs Computing kpt #: 136 total cpu time spent up to now is 82.8 secs Computing kpt #: 137 total cpu time spent up to now is 83.5 secs Computing kpt #: 138 total cpu time spent up to now is 84.1 secs Computing kpt #: 139 total cpu time spent up to now is 84.7 secs Computing kpt #: 140 total cpu time spent up to now is 85.2 secs Computing kpt #: 141 total cpu time spent up to now is 85.9 secs Computing kpt #: 142 total cpu time spent up to now is 86.4 secs Computing kpt #: 143 total cpu time spent up to now is 87.1 secs Computing kpt #: 144 total cpu time spent up to now is 87.6 secs Computing kpt #: 145 total cpu time spent up to now is 88.2 secs Computing kpt #: 146 total cpu time spent up to now is 88.9 secs Computing kpt #: 147 total cpu time spent up to now is 89.5 secs Computing kpt #: 148 total cpu time spent up to now is 90.1 secs Computing kpt #: 149 total cpu time spent up to now is 90.7 secs Computing kpt #: 150 total cpu time spent up to now is 91.3 secs Computing kpt #: 151 total cpu time spent up to now is 91.9 secs Computing kpt #: 152 total cpu time spent up to now is 92.4 secs Computing kpt #: 153 total cpu time spent up to now is 93.1 secs Computing kpt #: 154 total cpu time spent up to now is 93.7 secs Computing kpt #: 155 total cpu time spent up to now is 94.2 secs Computing kpt #: 156 total cpu time spent up to now is 94.8 secs Computing kpt #: 157 total cpu time spent up to now is 95.4 secs Computing kpt #: 158 total cpu time spent up to now is 96.0 secs Computing kpt #: 159 total cpu time spent up to now is 96.5 secs Computing kpt #: 160 total cpu time spent up to now is 97.1 secs Computing kpt #: 161 total cpu time spent up to now is 97.7 secs Computing kpt #: 162 total cpu time spent up to now is 98.3 secs Computing kpt #: 163 total cpu time spent up to now is 98.9 secs Computing kpt #: 164 total cpu time spent up to now is 99.5 secs Computing kpt #: 165 total cpu time spent up to now is 100.0 secs Computing kpt #: 166 total cpu time spent up to now is 100.6 secs Computing kpt #: 167 total cpu time spent up to now is 101.2 secs Computing kpt #: 168 total cpu time spent up to now is 101.8 secs Computing kpt #: 169 total cpu time spent up to now is 102.4 secs Computing kpt #: 170 total cpu time spent up to now is 102.9 secs Computing kpt #: 171 total cpu time spent up to now is 103.5 secs Computing kpt #: 172 total cpu time spent up to now is 104.1 secs Computing kpt #: 173 total cpu time spent up to now is 104.7 secs Computing kpt #: 174 total cpu time spent up to now is 105.3 secs Computing kpt #: 175 total cpu time spent up to now is 105.9 secs Computing kpt #: 176 total cpu time spent up to now is 106.4 secs Computing kpt #: 177 total cpu time spent up to now is 107.0 secs Computing kpt #: 178 total cpu time spent up to now is 107.6 secs Computing kpt #: 179 total cpu time spent up to now is 108.1 secs Computing kpt #: 180 total cpu time spent up to now is 108.7 secs Computing kpt #: 181 total cpu time spent up to now is 109.2 secs Computing kpt #: 182 total cpu time spent up to now is 109.9 secs Computing kpt #: 183 total cpu time spent up to now is 110.5 secs Computing kpt #: 184 total cpu time spent up to now is 111.1 secs Computing kpt #: 185 total cpu time spent up to now is 111.6 secs Computing kpt #: 186 total cpu time spent up to now is 112.3 secs Computing kpt #: 187 total cpu time spent up to now is 112.9 secs Computing kpt #: 188 total cpu time spent up to now is 113.5 secs Computing kpt #: 189 total cpu time spent up to now is 114.1 secs Computing kpt #: 190 total cpu time spent up to now is 114.7 secs Computing kpt #: 191 total cpu time spent up to now is 115.3 secs Computing kpt #: 192 total cpu time spent up to now is 115.9 secs Computing kpt #: 193 total cpu time spent up to now is 116.4 secs Computing kpt #: 194 total cpu time spent up to now is 117.1 secs Computing kpt #: 195 total cpu time spent up to now is 117.6 secs Computing kpt #: 196 total cpu time spent up to now is 118.2 secs Computing kpt #: 197 total cpu time spent up to now is 118.8 secs Computing kpt #: 198 total cpu time spent up to now is 119.4 secs Computing kpt #: 199 total cpu time spent up to now is 120.0 secs Computing kpt #: 200 total cpu time spent up to now is 120.7 secs Computing kpt #: 201 total cpu time spent up to now is 121.2 secs Computing kpt #: 202 total cpu time spent up to now is 121.8 secs Computing kpt #: 203 total cpu time spent up to now is 122.4 secs Computing kpt #: 204 total cpu time spent up to now is 122.9 secs Computing kpt #: 205 total cpu time spent up to now is 123.5 secs Computing kpt #: 206 total cpu time spent up to now is 124.1 secs Computing kpt #: 207 total cpu time spent up to now is 124.6 secs Computing kpt #: 208 total cpu time spent up to now is 125.2 secs Computing kpt #: 209 total cpu time spent up to now is 125.7 secs Computing kpt #: 210 total cpu time spent up to now is 126.3 secs Computing kpt #: 211 total cpu time spent up to now is 126.9 secs Computing kpt #: 212 total cpu time spent up to now is 127.5 secs Computing kpt #: 213 total cpu time spent up to now is 128.0 secs Computing kpt #: 214 total cpu time spent up to now is 128.6 secs Computing kpt #: 215 total cpu time spent up to now is 129.2 secs Computing kpt #: 216 total cpu time spent up to now is 129.8 secs Computing kpt #: 217 total cpu time spent up to now is 130.4 secs Computing kpt #: 218 total cpu time spent up to now is 131.0 secs Computing kpt #: 219 total cpu time spent up to now is 131.6 secs Computing kpt #: 220 total cpu time spent up to now is 132.2 secs Computing kpt #: 221 total cpu time spent up to now is 132.7 secs Computing kpt #: 222 total cpu time spent up to now is 133.3 secs Computing kpt #: 223 total cpu time spent up to now is 133.9 secs Computing kpt #: 224 total cpu time spent up to now is 134.5 secs Computing kpt #: 225 total cpu time spent up to now is 135.1 secs Computing kpt #: 226 total cpu time spent up to now is 135.7 secs Computing kpt #: 227 total cpu time spent up to now is 136.3 secs Computing kpt #: 228 total cpu time spent up to now is 136.9 secs Computing kpt #: 229 total cpu time spent up to now is 137.5 secs Computing kpt #: 230 total cpu time spent up to now is 138.0 secs Computing kpt #: 231 total cpu time spent up to now is 138.6 secs Computing kpt #: 232 total cpu time spent up to now is 139.2 secs Computing kpt #: 233 total cpu time spent up to now is 139.8 secs Computing kpt #: 234 total cpu time spent up to now is 140.4 secs Computing kpt #: 235 total cpu time spent up to now is 140.9 secs Computing kpt #: 236 total cpu time spent up to now is 141.5 secs Computing kpt #: 237 total cpu time spent up to now is 142.1 secs Computing kpt #: 238 total cpu time spent up to now is 142.7 secs Computing kpt #: 239 total cpu time spent up to now is 143.3 secs Computing kpt #: 240 total cpu time spent up to now is 143.8 secs Computing kpt #: 241 total cpu time spent up to now is 144.4 secs Computing kpt #: 242 total cpu time spent up to now is 145.0 secs Computing kpt #: 243 total cpu time spent up to now is 145.6 secs Computing kpt #: 244 total cpu time spent up to now is 146.2 secs Computing kpt #: 245 total cpu time spent up to now is 146.8 secs Computing kpt #: 246 total cpu time spent up to now is 147.3 secs Computing kpt #: 247 total cpu time spent up to now is 147.9 secs Computing kpt #: 248 total cpu time spent up to now is 148.5 secs Computing kpt #: 249 total cpu time spent up to now is 149.0 secs Computing kpt #: 250 total cpu time spent up to now is 149.6 secs Computing kpt #: 251 total cpu time spent up to now is 150.2 secs Computing kpt #: 252 total cpu time spent up to now is 150.9 secs Computing kpt #: 253 total cpu time spent up to now is 151.5 secs Computing kpt #: 254 total cpu time spent up to now is 152.1 secs Computing kpt #: 255 total cpu time spent up to now is 152.6 secs Computing kpt #: 256 total cpu time spent up to now is 153.2 secs Computing kpt #: 257 total cpu time spent up to now is 153.8 secs Computing kpt #: 258 total cpu time spent up to now is 154.4 secs Computing kpt #: 259 total cpu time spent up to now is 155.0 secs Computing kpt #: 260 total cpu time spent up to now is 155.5 secs Computing kpt #: 261 total cpu time spent up to now is 156.1 secs Computing kpt #: 262 total cpu time spent up to now is 156.7 secs Computing kpt #: 263 total cpu time spent up to now is 157.3 secs Computing kpt #: 264 total cpu time spent up to now is 157.9 secs Computing kpt #: 265 total cpu time spent up to now is 158.5 secs Computing kpt #: 266 total cpu time spent up to now is 159.1 secs Computing kpt #: 267 total cpu time spent up to now is 159.7 secs Computing kpt #: 268 total cpu time spent up to now is 160.3 secs Computing kpt #: 269 total cpu time spent up to now is 160.8 secs Computing kpt #: 270 total cpu time spent up to now is 161.4 secs Computing kpt #: 271 total cpu time spent up to now is 162.0 secs Computing kpt #: 272 total cpu time spent up to now is 162.6 secs Computing kpt #: 273 total cpu time spent up to now is 163.1 secs Computing kpt #: 274 total cpu time spent up to now is 163.7 secs Computing kpt #: 275 total cpu time spent up to now is 164.3 secs Computing kpt #: 276 total cpu time spent up to now is 164.9 secs Computing kpt #: 277 total cpu time spent up to now is 165.5 secs Computing kpt #: 278 total cpu time spent up to now is 166.0 secs Computing kpt #: 279 total cpu time spent up to now is 166.6 secs Computing kpt #: 280 total cpu time spent up to now is 167.2 secs Computing kpt #: 281 total cpu time spent up to now is 167.7 secs Computing kpt #: 282 total cpu time spent up to now is 168.3 secs Computing kpt #: 283 total cpu time spent up to now is 168.9 secs Computing kpt #: 284 total cpu time spent up to now is 169.4 secs Computing kpt #: 285 total cpu time spent up to now is 170.0 secs Computing kpt #: 286 total cpu time spent up to now is 170.6 secs Computing kpt #: 287 total cpu time spent up to now is 171.1 secs Computing kpt #: 288 total cpu time spent up to now is 171.6 secs Computing kpt #: 289 total cpu time spent up to now is 172.2 secs Computing kpt #: 290 total cpu time spent up to now is 172.8 secs Computing kpt #: 291 total cpu time spent up to now is 173.3 secs Computing kpt #: 292 total cpu time spent up to now is 173.9 secs Computing kpt #: 293 total cpu time spent up to now is 174.5 secs Computing kpt #: 294 total cpu time spent up to now is 175.1 secs Computing kpt #: 295 total cpu time spent up to now is 175.7 secs Computing kpt #: 296 total cpu time spent up to now is 176.2 secs Computing kpt #: 297 total cpu time spent up to now is 176.8 secs Computing kpt #: 298 total cpu time spent up to now is 177.4 secs Computing kpt #: 299 total cpu time spent up to now is 177.9 secs Computing kpt #: 300 total cpu time spent up to now is 178.5 secs Computing kpt #: 301 total cpu time spent up to now is 179.0 secs Computing kpt #: 302 total cpu time spent up to now is 179.6 secs Computing kpt #: 303 total cpu time spent up to now is 180.2 secs Computing kpt #: 304 total cpu time spent up to now is 180.8 secs Computing kpt #: 305 total cpu time spent up to now is 181.4 secs Computing kpt #: 306 total cpu time spent up to now is 182.0 secs Computing kpt #: 307 total cpu time spent up to now is 182.5 secs Computing kpt #: 308 total cpu time spent up to now is 183.1 secs Computing kpt #: 309 total cpu time spent up to now is 183.6 secs Computing kpt #: 310 total cpu time spent up to now is 184.3 secs Computing kpt #: 311 total cpu time spent up to now is 184.8 secs Computing kpt #: 312 total cpu time spent up to now is 185.4 secs Computing kpt #: 313 total cpu time spent up to now is 186.0 secs Computing kpt #: 314 total cpu time spent up to now is 186.6 secs Computing kpt #: 315 total cpu time spent up to now is 187.1 secs Computing kpt #: 316 total cpu time spent up to now is 187.7 secs Computing kpt #: 317 total cpu time spent up to now is 188.3 secs Computing kpt #: 318 total cpu time spent up to now is 188.9 secs Computing kpt #: 319 total cpu time spent up to now is 189.5 secs Computing kpt #: 320 total cpu time spent up to now is 190.1 secs Computing kpt #: 321 total cpu time spent up to now is 190.7 secs Computing kpt #: 322 total cpu time spent up to now is 191.3 secs Computing kpt #: 323 total cpu time spent up to now is 191.9 secs Computing kpt #: 324 total cpu time spent up to now is 192.4 secs Computing kpt #: 325 total cpu time spent up to now is 193.0 secs Computing kpt #: 326 total cpu time spent up to now is 193.6 secs Computing kpt #: 327 total cpu time spent up to now is 194.2 secs Computing kpt #: 328 total cpu time spent up to now is 194.7 secs Computing kpt #: 329 total cpu time spent up to now is 195.3 secs Computing kpt #: 330 total cpu time spent up to now is 195.9 secs Computing kpt #: 331 total cpu time spent up to now is 196.5 secs Computing kpt #: 332 total cpu time spent up to now is 197.1 secs Computing kpt #: 333 total cpu time spent up to now is 197.7 secs Computing kpt #: 334 total cpu time spent up to now is 198.3 secs Computing kpt #: 335 total cpu time spent up to now is 198.9 secs Computing kpt #: 336 total cpu time spent up to now is 199.5 secs Computing kpt #: 337 total cpu time spent up to now is 200.1 secs Computing kpt #: 338 total cpu time spent up to now is 200.7 secs Computing kpt #: 339 total cpu time spent up to now is 201.3 secs Computing kpt #: 340 total cpu time spent up to now is 201.9 secs Computing kpt #: 341 total cpu time spent up to now is 202.5 secs Computing kpt #: 342 total cpu time spent up to now is 203.1 secs Computing kpt #: 343 total cpu time spent up to now is 203.7 secs Computing kpt #: 344 total cpu time spent up to now is 204.3 secs Computing kpt #: 345 total cpu time spent up to now is 204.9 secs Computing kpt #: 346 total cpu time spent up to now is 205.5 secs Computing kpt #: 347 total cpu time spent up to now is 206.1 secs Computing kpt #: 348 total cpu time spent up to now is 206.7 secs Computing kpt #: 349 total cpu time spent up to now is 207.3 secs Computing kpt #: 350 total cpu time spent up to now is 207.9 secs Computing kpt #: 351 total cpu time spent up to now is 208.4 secs Computing kpt #: 352 total cpu time spent up to now is 209.0 secs Computing kpt #: 353 total cpu time spent up to now is 209.6 secs Computing kpt #: 354 total cpu time spent up to now is 210.2 secs Computing kpt #: 355 total cpu time spent up to now is 210.7 secs Computing kpt #: 356 total cpu time spent up to now is 211.3 secs Computing kpt #: 357 total cpu time spent up to now is 211.9 secs Computing kpt #: 358 total cpu time spent up to now is 212.5 secs Computing kpt #: 359 total cpu time spent up to now is 213.1 secs Computing kpt #: 360 total cpu time spent up to now is 213.7 secs Computing kpt #: 361 total cpu time spent up to now is 214.2 secs Computing kpt #: 362 total cpu time spent up to now is 214.8 secs Computing kpt #: 363 total cpu time spent up to now is 215.3 secs Computing kpt #: 364 total cpu time spent up to now is 215.9 secs Computing kpt #: 365 total cpu time spent up to now is 216.5 secs Computing kpt #: 366 total cpu time spent up to now is 217.1 secs Computing kpt #: 367 total cpu time spent up to now is 217.7 secs Computing kpt #: 368 total cpu time spent up to now is 218.3 secs Computing kpt #: 369 total cpu time spent up to now is 218.9 secs Computing kpt #: 370 total cpu time spent up to now is 219.4 secs Computing kpt #: 371 total cpu time spent up to now is 220.0 secs Computing kpt #: 372 total cpu time spent up to now is 220.6 secs Computing kpt #: 373 total cpu time spent up to now is 221.1 secs Computing kpt #: 374 total cpu time spent up to now is 221.7 secs ethr = 2.94E-08, avg # of iterations = 11.6 total cpu time spent up to now is 221.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7697 PWs) bands (ev): -37.8809 -37.8809 -14.4930 -14.4930 -12.0767 -12.0767 -12.0708 -12.0708 -11.7261 -11.7261 -1.0034 -1.0034 -0.0700 -0.0700 0.2695 0.2695 0.2717 0.2717 0.5654 0.5654 1.0189 1.0189 2.5528 2.5528 2.8579 2.8579 2.8640 2.8640 4.5072 4.5072 4.5274 4.5274 4.9134 4.9134 5.6284 5.6284 8.0103 8.0103 10.4576 10.4576 10.4583 10.4583 k = 0.0000 0.0000 0.0145 ( 7719 PWs) bands (ev): -37.8809 -37.8809 -14.4925 -14.4925 -12.0771 -12.0770 -12.0712 -12.0712 -11.7264 -11.7262 -1.0038 -1.0037 -0.0806 -0.0789 0.2697 0.2702 0.2784 0.2808 0.5679 0.5683 1.0189 1.0190 2.5524 2.5529 2.8589 2.8595 2.8651 2.8655 4.5028 4.5033 4.5239 4.5246 4.9126 4.9128 5.6344 5.6352 8.0116 8.0117 10.4564 10.4564 10.4580 10.4581 k = 0.0000 0.0000 0.0291 ( 7727 PWs) bands (ev): -37.8809 -37.8809 -14.4908 -14.4908 -12.0783 -12.0779 -12.0722 -12.0721 -11.7271 -11.7267 -1.0051 -1.0049 -0.1079 -0.1050 0.2683 0.2694 0.3012 0.3053 0.5755 0.5763 1.0190 1.0192 2.5517 2.5527 2.8626 2.8635 2.8690 2.8696 4.4853 4.4868 4.5194 4.5200 4.9104 4.9108 5.6528 5.6544 8.0156 8.0160 10.4519 10.4520 10.4582 10.4584 k = 0.0000 0.0000 0.0436 ( 7729 PWs) bands (ev): -37.8809 -37.8809 -14.4879 -14.4879 -12.0804 -12.0798 -12.0737 -12.0736 -11.7282 -11.7276 -1.0072 -1.0068 -0.1466 -0.1431 0.2664 0.2681 0.3341 0.3393 0.5880 0.5893 1.0194 1.0196 2.5510 2.5524 2.8685 2.8698 2.8755 2.8763 4.4533 4.4559 4.5168 4.5172 4.9069 4.9074 5.6822 5.6845 8.0225 8.0229 10.4444 10.4445 10.4587 10.4589 k = 0.0000 0.0000 0.0581 ( 7733 PWs) bands (ev): -37.8809 -37.8809 -14.4840 -14.4840 -12.0835 -12.0827 -12.0755 -12.0753 -11.7297 -11.7289 -1.0100 -1.0096 -0.1925 -0.1887 0.2644 0.2666 0.3725 0.3784 0.6048 0.6065 1.0200 1.0204 2.5505 2.5523 2.8766 2.8780 2.8845 2.8852 4.4102 4.4136 4.5148 4.5151 4.9021 4.9028 5.7207 5.7235 8.0319 8.0326 10.4340 10.4342 10.4594 10.4597 k = 0.0000 0.0000 0.0727 ( 7733 PWs) bands (ev): -37.8809 -37.8809 -14.4789 -14.4789 -12.0877 -12.0867 -12.0776 -12.0773 -11.7316 -11.7306 -1.0137 -1.0132 -0.2428 -0.2389 0.2629 0.2655 0.4136 0.4199 0.6253 0.6275 1.0213 1.0218 2.5507 2.5528 2.8866 2.8880 2.8956 2.8962 4.3586 4.3628 4.5127 4.5130 4.8959 4.8968 5.7663 5.7695 8.0440 8.0447 10.4208 10.4210 10.4603 10.4606 k = 0.0000 0.0000 0.0872 ( 7737 PWs) bands (ev): -37.8809 -37.8809 -14.4727 -14.4727 -12.0929 -12.0918 -12.0799 -12.0795 -11.7340 -11.7328 -1.0182 -1.0175 -0.2959 -0.2919 0.2622 0.2651 0.4555 0.4619 0.6484 0.6511 1.0237 1.0244 2.5519 2.5543 2.8982 2.8997 2.9082 2.9087 4.3008 4.3056 4.5103 4.5106 4.8884 4.8895 5.8171 5.8206 8.0584 8.0594 10.4049 10.4052 10.4614 10.4618 k = 0.0000 0.0000 0.1017 ( 7737 PWs) bands (ev): -37.8809 -37.8809 -14.4654 -14.4654 -12.0991 -12.0980 -12.0825 -12.0819 -11.7368 -11.7355 -1.0234 -1.0227 -0.3507 -0.3468 0.2627 0.2659 0.4973 0.5037 0.6734 0.6765 1.0278 1.0287 2.5544 2.5571 2.9109 2.9129 2.9219 2.9227 4.2387 4.2441 4.5077 4.5080 4.8797 4.8809 5.8716 5.8754 8.0752 8.0763 10.3866 10.3869 10.4627 10.4631 k = 0.0000 0.0000 0.1163 ( 7745 PWs) bands (ev): -37.8809 -37.8809 -14.4570 -14.4570 -12.1063 -12.1050 -12.0854 -12.0847 -11.7400 -11.7385 -1.0295 -1.0287 -0.4066 -0.4028 0.2648 0.2681 0.5384 0.5445 0.6988 0.7024 1.0346 1.0358 2.5585 2.5615 2.9241 2.9268 2.9364 2.9380 4.1739 4.1798 4.5048 4.5050 4.8697 4.8711 5.9284 5.9324 8.0940 8.0953 10.3659 10.3663 10.4641 10.4647 k = 0.0000 0.0000 0.1308 ( 7741 PWs) bands (ev): -37.8809 -37.8809 -14.4475 -14.4475 -12.1144 -12.1130 -12.0886 -12.0877 -11.7437 -11.7421 -1.0363 -1.0354 -0.4631 -0.4595 0.2686 0.2721 0.5783 0.5838 0.7233 0.7274 1.0452 1.0468 2.5644 2.5676 2.9366 2.9403 2.9523 2.9547 4.1079 4.1143 4.5016 4.5018 4.8585 4.8601 5.9867 5.9908 8.1148 8.1162 10.3432 10.3435 10.4658 10.4664 k = 0.0000 0.0000 0.1453 ( 7745 PWs) bands (ev): -37.8809 -37.8809 -14.4369 -14.4369 -12.1234 -12.1219 -12.0920 -12.0911 -11.7479 -11.7461 -1.0438 -1.0428 -0.5199 -0.5164 0.2744 0.2779 0.6163 0.6210 0.7460 0.7506 1.0610 1.0628 2.5723 2.5756 2.9476 2.9519 2.9701 2.9730 4.0420 4.0489 4.4981 4.4983 4.8463 4.8480 6.0456 6.0498 8.1371 8.1387 10.3185 10.3189 10.4676 10.4682 k = 0.0000 0.0000 0.1599 ( 7741 PWs) bands (ev): -37.8809 -37.8809 -14.4253 -14.4253 -12.1332 -12.1317 -12.0957 -12.0947 -11.7525 -11.7506 -1.0520 -1.0510 -0.5767 -0.5733 0.2823 0.2858 0.6512 0.6547 0.7667 0.7720 1.0828 1.0851 2.5821 2.5856 2.9559 2.9606 2.9894 2.9926 3.9777 3.9850 4.4944 4.4946 4.8330 4.8348 6.1045 6.1088 8.1608 8.1625 10.2921 10.2926 10.4696 10.4703 k = 0.0000 0.0000 0.1744 ( 7739 PWs) bands (ev): -37.8809 -37.8809 -14.4126 -14.4125 -12.1438 -12.1422 -12.0997 -12.0986 -11.7577 -11.7557 -1.0609 -1.0599 -0.6332 -0.6300 0.2924 0.2959 0.6803 0.6825 0.7875 0.7933 1.1112 1.1138 2.5937 2.5974 2.9607 2.9658 3.0100 3.0133 3.9163 3.9241 4.4905 4.4907 4.8187 4.8207 6.1630 6.1672 8.1856 8.1874 10.2644 10.2649 10.4717 10.4725 k = 0.0000 0.0000 0.1890 ( 7735 PWs) bands (ev): -37.8809 -37.8809 -14.3988 -14.3988 -12.1552 -12.1535 -12.1040 -12.1028 -11.7633 -11.7612 -1.0706 -1.0695 -0.6893 -0.6862 0.3048 0.3082 0.7003 0.7013 0.8118 0.8181 1.1458 1.1488 2.6071 2.6110 2.9609 2.9663 3.0315 3.0349 3.8593 3.8676 4.4864 4.4866 4.8035 4.8056 6.2205 6.2248 8.2110 8.2129 10.2356 10.2361 10.4740 10.4748 k = 0.0000 0.0000 0.2035 ( 7743 PWs) bands (ev): -37.8809 -37.8809 -14.3840 -14.3840 -12.1673 -12.1656 -12.1086 -12.1073 -11.7694 -11.7672 -1.0809 -1.0798 -0.7446 -0.7417 0.3194 0.3227 0.7094 0.7098 0.8422 0.8483 1.1859 1.1892 2.6218 2.6259 2.9554 2.9611 3.0537 3.0572 3.8082 3.8169 4.4822 4.4825 4.7876 4.7898 6.2769 6.2812 8.2366 8.2387 10.2059 10.2065 10.4764 10.4773 k = 0.0000 0.0000 0.2180 ( 7743 PWs) bands (ev): -37.8809 -37.8809 -14.3681 -14.3681 -12.1801 -12.1784 -12.1133 -12.1120 -11.7760 -11.7737 -1.0920 -1.0909 -0.7989 -0.7961 0.3363 0.3394 0.7093 0.7094 0.8778 0.8834 1.2305 1.2342 2.6374 2.6417 2.9436 2.9496 3.0762 3.0799 3.7644 3.7735 4.4779 4.4783 4.7711 4.7734 6.3318 6.3362 8.2622 8.2644 10.1757 10.1764 10.4790 10.4799 k = 0.0000 0.0000 0.2326 ( 7743 PWs) bands (ev): -37.8808 -37.8808 -14.3513 -14.3513 -12.1937 -12.1919 -12.1183 -12.1169 -11.7830 -11.7807 -1.1041 -1.1030 -0.8518 -0.8492 0.3554 0.3583 0.7025 0.7029 0.9169 0.9219 1.2788 1.2829 2.6528 2.6573 2.9252 2.9313 3.0989 3.1027 3.7289 3.7382 4.4735 4.4742 4.7541 4.7564 6.3852 6.3895 8.2873 8.2896 10.1454 10.1462 10.4816 10.4825 k = 0.0000 0.0000 0.2471 ( 7763 PWs) bands (ev): -37.8808 -37.8808 -14.3335 -14.3335 -12.2079 -12.2061 -12.1236 -12.1221 -11.7905 -11.7881 -1.1175 -1.1164 -0.9028 -0.9004 0.3766 0.3792 0.6914 0.6921 0.9581 0.9624 1.3302 1.3345 2.6665 2.6712 2.9015 2.9076 3.1216 3.1255 3.7022 3.7114 4.4692 4.4702 4.7368 4.7392 6.4367 6.4410 8.3114 8.3138 10.1152 10.1162 10.4843 10.4853 k = 0.0000 0.0000 0.2616 ( 7751 PWs) bands (ev): -37.8808 -37.8808 -14.3147 -14.3147 -12.2227 -12.2209 -12.1290 -12.1275 -11.7985 -11.7961 -1.1328 -1.1317 -0.9510 -0.9488 0.3998 0.4020 0.6774 0.6786 1.0005 1.0043 1.3839 1.3886 2.6751 2.6800 2.8757 2.8815 3.1441 3.1482 3.6838 3.6930 4.4649 4.4663 4.7195 4.7218 6.4862 6.4905 8.3342 8.3366 10.0855 10.0867 10.4871 10.4881 k = 0.0000 0.0000 0.2762 ( 7759 PWs) bands (ev): -37.8808 -37.8808 -14.2950 -14.2950 -12.2382 -12.2364 -12.1346 -12.1330 -11.8069 -11.8044 -1.1511 -1.1501 -0.9952 -0.9933 0.4246 0.4263 0.6617 0.6634 1.0438 1.0471 1.4397 1.4446 2.6729 2.6776 2.8548 2.8596 3.1663 3.1705 3.6731 3.6820 4.4607 4.4626 4.7023 4.7045 6.5336 6.5379 8.3553 8.3577 10.0567 10.0581 10.4899 10.4910 k = 0.0000 0.0000 0.2907 ( 7751 PWs) bands (ev): -37.8808 -37.8808 -14.2744 -14.2744 -12.2543 -12.2525 -12.1403 -12.1387 -11.8156 -11.8132 -1.1739 -1.1730 -1.0337 -1.0321 0.4506 0.4515 0.6455 0.6479 1.0876 1.0905 1.4970 1.5021 2.6533 2.6574 2.8462 2.8493 3.1880 3.1924 3.6685 3.6772 4.4566 4.4590 4.6856 4.6877 6.5786 6.5829 8.3743 8.3767 10.0290 10.0307 10.4928 10.4938 k = 0.0000 0.0000 0.3052 ( 7747 PWs) bands (ev): -37.8808 -37.8808 -14.2529 -14.2529 -12.2710 -12.2692 -12.1462 -12.1446 -11.8248 -11.8223 -1.2027 -1.2017 -1.0649 -1.0637 0.4764 0.4766 0.6301 0.6337 1.1316 1.1342 1.5553 1.5607 2.6158 2.6194 2.8512 2.8526 3.2092 3.2138 3.6687 3.6771 4.4527 4.4558 4.6697 4.6715 6.6211 6.6255 8.3908 8.3933 10.0029 10.0047 10.4956 10.4967 k = 0.0000 0.0000 0.3198 ( 7731 PWs) bands (ev): -37.8808 -37.8808 -14.2306 -14.2305 -12.2883 -12.2866 -12.1522 -12.1506 -11.8342 -11.8318 -1.2374 -1.2363 -1.0888 -1.0878 0.4983 0.5000 0.6186 0.6238 1.1756 1.1781 1.6141 1.6198 2.5662 2.5696 2.8649 2.8650 3.2298 3.2346 3.6723 3.6803 4.4488 4.4527 4.6550 4.6565 6.6610 6.6653 8.4048 8.4073 9.9785 9.9806 10.4985 10.4996 k = 0.0000 0.0000 0.3343 ( 7727 PWs) bands (ev): -37.8808 -37.8808 -14.2074 -14.2074 -12.3062 -12.3045 -12.1583 -12.1567 -11.8440 -11.8415 -1.2764 -1.2752 -1.1069 -1.1059 0.5118 0.5152 0.6169 0.6237 1.2195 1.2219 1.6726 1.6786 2.5106 2.5138 2.8820 2.8829 3.2499 3.2549 3.6779 3.6856 4.4450 4.4497 4.6419 4.6430 6.6978 6.7022 8.4161 8.4186 9.9561 9.9585 10.5013 10.5025 k = 0.0000 0.0000 0.3488 ( 7727 PWs) bands (ev): -37.8807 -37.8807 -14.1834 -14.1834 -12.3246 -12.3230 -12.1645 -12.1628 -11.8540 -11.8516 -1.3179 -1.3166 -1.1208 -1.1198 0.5126 0.5164 0.6310 0.6381 1.2632 1.2656 1.7295 1.7357 2.4534 2.4566 2.9006 2.9024 3.2693 3.2748 3.6845 3.6919 4.4411 4.4467 4.6308 4.6314 6.7314 6.7358 8.4247 8.4271 9.9358 9.9385 10.5041 10.5052 k = 0.0000 0.0000 0.3634 ( 7717 PWs) bands (ev): -37.8807 -37.8807 -14.1587 -14.1587 -12.3437 -12.3421 -12.1708 -12.1691 -11.8642 -11.8618 -1.3603 -1.3590 -1.1318 -1.1309 0.5032 0.5064 0.6581 0.6646 1.3064 1.3089 1.7826 1.7889 2.3986 2.4019 2.9194 2.9219 3.2884 3.2942 3.6913 3.6984 4.4370 4.4435 4.6218 4.6225 6.7615 6.7659 8.4308 8.4332 9.9178 9.9207 10.5068 10.5080 k = 0.0000 0.0000 0.3779 ( 7713 PWs) bands (ev): -37.8807 -37.8807 -14.1332 -14.1332 -12.3632 -12.3617 -12.1770 -12.1754 -11.8745 -11.8722 -1.4028 -1.4015 -1.1408 -1.1398 0.4888 0.4914 0.6922 0.6980 1.3491 1.3517 1.8282 1.8346 2.3510 2.3546 2.9370 2.9403 3.3070 3.3134 3.6975 3.7043 4.4327 4.4401 4.6155 4.6166 6.7877 6.7921 8.4347 8.4370 9.9020 9.9052 10.5094 10.5106 k = 0.0000 0.0000 0.3924 ( 7717 PWs) bands (ev): -37.8807 -37.8807 -14.1071 -14.1071 -12.3834 -12.3819 -12.1834 -12.1817 -11.8849 -11.8826 -1.4448 -1.4436 -1.1481 -1.1471 0.4724 0.4746 0.7303 0.7354 1.3910 1.3937 1.8605 1.8669 2.3173 2.3213 2.9528 2.9568 3.3254 3.3324 3.7028 3.7092 4.4281 4.4362 4.6121 4.6138 6.8096 6.8140 8.4367 8.4390 9.8883 9.8917 10.5120 10.5131 k = 0.0000 0.0000 0.4070 ( 7711 PWs) bands (ev): -37.8807 -37.8807 -14.0804 -14.0803 -12.4041 -12.4027 -12.1897 -12.1881 -11.8954 -11.8932 -1.4860 -1.4848 -1.1542 -1.1531 0.4554 0.4574 0.7707 0.7755 1.4318 1.4345 1.8727 1.8787 2.3054 2.3097 2.9659 2.9708 3.3438 3.3514 3.7068 3.7129 4.4234 4.4320 4.6118 4.6141 6.8269 6.8313 8.4375 8.4397 9.8765 9.8802 10.5144 10.5155 k = 0.0000 0.0000 0.4215 ( 7703 PWs) bands (ev): -37.8807 -37.8807 -14.0530 -14.0530 -12.4253 -12.4239 -12.1960 -12.1944 -11.9059 -11.9037 -1.5261 -1.5250 -1.1590 -1.1580 0.4387 0.4406 0.8130 0.8173 1.4709 1.4737 1.8616 1.8671 2.3188 2.3236 2.9758 2.9815 3.3621 3.3705 3.7096 3.7152 4.4186 4.4276 4.6146 4.6173 6.8390 6.8434 8.4377 8.4398 9.8665 9.8704 10.5167 10.5178 k = 0.0000 0.0000 0.4360 ( 7703 PWs) bands (ev): -37.8807 -37.8807 -14.0252 -14.0252 -12.4470 -12.4457 -12.2022 -12.2007 -11.9162 -11.9141 -1.5651 -1.5640 -1.1628 -1.1618 0.4227 0.4246 0.8564 0.8604 1.5072 1.5101 1.8321 1.8374 2.3541 2.3592 2.9822 2.9885 3.3805 3.3895 3.7110 3.7163 4.4141 4.4232 4.6202 4.6233 6.8458 6.8502 8.4379 8.4399 9.8580 9.8620 10.5188 10.5199 k = 0.0000 0.0000 0.4506 ( 7711 PWs) bands (ev): -37.8806 -37.8806 -13.9969 -13.9968 -12.4692 -12.4680 -12.2084 -12.2069 -11.9264 -11.9244 -1.6026 -1.6016 -1.1657 -1.1646 0.4078 0.4097 0.9006 0.9044 1.5382 1.5415 1.7938 1.7994 2.4039 2.4093 2.9846 2.9916 3.3988 3.4085 3.7115 3.7163 4.4100 4.4190 4.6281 4.6315 6.8467 6.8511 8.4388 8.4407 9.8506 9.8548 10.5208 10.5219 k = 0.0000 0.0000 0.4651 ( 7719 PWs) bands (ev): -37.8806 -37.8806 -13.9682 -13.9681 -12.4919 -12.4908 -12.2145 -12.2130 -11.9365 -11.9345 -1.6388 -1.6378 -1.1676 -1.1666 0.3942 0.3961 0.9451 0.9486 1.5581 1.5621 1.7583 1.7650 2.4622 2.4678 2.9830 2.9906 3.4170 3.4273 3.7115 3.7157 4.4066 4.4155 4.6380 4.6417 6.8417 6.8460 8.4411 8.4429 9.8441 9.8485 10.5227 10.5237 k = 0.0000 0.0000 0.4796 ( 7711 PWs) bands (ev): -37.8806 -37.8806 -13.9391 -13.9391 -12.5151 -12.5140 -12.2204 -12.2190 -11.9463 -11.9444 -1.6734 -1.6725 -1.1688 -1.1677 0.3820 0.3841 0.9892 0.9925 1.5570 1.5617 1.7403 1.7480 2.5249 2.5307 2.9774 2.9855 3.4347 3.4455 3.7113 3.7149 4.4042 4.4127 4.6494 4.6534 6.8306 6.8349 8.4452 8.4469 9.8383 9.8427 10.5244 10.5254 k = 0.0000 0.0000 0.4942 ( 7711 PWs) bands (ev): -37.8806 -37.8806 -13.9098 -13.9098 -12.5386 -12.5376 -12.2263 -12.2249 -11.9558 -11.9540 -1.7064 -1.7056 -1.1691 -1.1681 0.3715 0.3737 1.0319 1.0350 1.5315 1.5358 1.7474 1.7547 2.5895 2.5953 2.9681 2.9766 3.4515 3.4627 3.7117 3.7147 4.4028 4.4109 4.6619 4.6661 6.8135 6.8176 8.4516 8.4531 9.8327 9.8372 10.5259 10.5269 k = 0.0000 0.0000 0.5087 ( 7725 PWs) bands (ev): -37.8806 -37.8806 -13.8804 -13.8804 -12.5624 -12.5615 -12.2319 -12.2306 -11.9649 -11.9633 -1.7378 -1.7370 -1.1688 -1.1678 0.3629 0.3652 1.0713 1.0743 1.4927 1.4960 1.7706 1.7772 2.6538 2.6596 2.9558 2.9644 3.4672 3.4787 3.7132 3.7156 4.4025 4.4103 4.6751 4.6794 6.7905 6.7946 8.4605 8.4618 9.8273 9.8317 10.5273 10.5283 k = 0.0000 0.0000 0.5233 ( 7723 PWs) bands (ev): -37.8806 -37.8806 -13.8509 -13.8509 -12.5865 -12.5857 -12.2374 -12.2362 -11.9737 -11.9721 -1.7674 -1.7667 -1.1679 -1.1669 0.3562 0.3586 1.1043 1.1072 1.4531 1.4554 1.8007 1.8066 2.7152 2.7208 2.9418 2.9503 3.4814 3.4930 3.7164 3.7183 4.4036 4.4109 4.6885 4.6930 6.7621 6.7660 8.4719 8.4731 9.8217 9.8262 10.5286 10.5295 k = 0.0000 0.0000 0.5378 ( 7719 PWs) bands (ev): -37.8806 -37.8806 -13.8215 -13.8215 -12.6108 -12.6101 -12.2426 -12.2415 -11.9821 -11.9806 -1.7954 -1.7947 -1.1665 -1.1655 0.3516 0.3542 1.1249 1.1279 1.4228 1.4245 1.8334 1.8388 2.7693 2.7744 2.9302 2.9377 3.4941 3.5057 3.7216 3.7230 4.4060 4.4128 4.7019 4.7066 6.7287 6.7324 8.4857 8.4867 9.8159 9.8203 10.5297 10.5305 k = 0.0000 0.0000 0.5523 ( 7715 PWs) bands (ev): -37.8806 -37.8806 -13.7923 -13.7923 -12.6351 -12.6345 -12.2477 -12.2466 -11.9900 -11.9886 -1.8215 -1.8210 -1.1646 -1.1637 0.3493 0.3519 1.1260 1.1292 1.4110 1.4125 1.8670 1.8718 2.8053 2.8099 2.9314 2.9358 3.5057 3.5172 3.7290 3.7300 4.4098 4.4162 4.7150 4.7198 6.6911 6.6946 8.5017 8.5025 9.8098 9.8141 10.5306 10.5314 k = 0.0000 0.0000 0.5669 ( 7707 PWs) bands (ev): -37.8806 -37.8806 -13.7635 -13.7635 -12.6594 -12.6588 -12.2524 -12.2514 -11.9974 -11.9961 -1.8459 -1.8454 -1.1624 -1.1615 0.3492 0.3519 1.1055 1.1088 1.4208 1.4225 1.9006 1.9050 2.8092 2.8158 2.9567 2.9571 3.5168 3.5280 3.7382 3.7390 4.4151 4.4209 4.7275 4.7324 6.6499 6.6532 8.5195 8.5202 9.8032 9.8074 10.5315 10.5322 k = 0.0000 0.0000 0.5814 ( 7707 PWs) bands (ev): -37.8806 -37.8806 -13.7352 -13.7351 -12.6835 -12.6829 -12.2569 -12.2560 -12.0043 -12.0031 -1.8684 -1.8679 -1.1599 -1.1590 0.3516 0.3544 1.0692 1.0725 1.4470 1.4487 1.9337 1.9376 2.7906 2.7987 2.9941 2.9960 3.5283 3.5392 3.7487 3.7496 4.4219 4.4272 4.7391 4.7441 6.6061 6.6092 8.5387 8.5393 9.7963 9.8004 10.5322 10.5329 k = 0.0000 0.0000 0.5959 ( 7705 PWs) bands (ev): -37.8805 -37.8805 -13.7076 -13.7076 -12.7071 -12.7066 -12.2610 -12.2602 -12.0106 -12.0096 -1.8890 -1.8886 -1.1572 -1.1564 0.3564 0.3593 1.0244 1.0277 1.4823 1.4840 1.9660 1.9696 2.7622 2.7711 3.0336 3.0361 3.5413 3.5518 3.7599 3.7612 4.4302 4.4350 4.7497 4.7547 6.5606 6.5635 8.5589 8.5593 9.7891 9.7929 10.5328 10.5334 k = 0.0000 0.0000 0.6105 ( 7711 PWs) bands (ev): -37.8805 -37.8805 -13.6810 -13.6810 -12.7301 -12.7297 -12.2649 -12.2641 -12.0164 -12.0155 -1.9078 -1.9074 -1.1544 -1.1537 0.3637 0.3667 0.9759 0.9791 1.5218 1.5234 1.9974 2.0006 2.7293 2.7384 3.0692 3.0719 3.5564 3.5666 3.7712 3.7729 4.4400 4.4443 4.7591 4.7640 6.5145 6.5171 8.5794 8.5798 9.7816 9.7852 10.5333 10.5339 k = 0.0000 0.0000 0.6250 ( 7705 PWs) bands (ev): -37.8805 -37.8805 -13.6556 -13.6556 -12.7522 -12.7518 -12.2683 -12.2677 -12.0216 -12.0208 -1.9246 -1.9243 -1.1517 -1.1509 0.3737 0.3767 0.9263 0.9294 1.5628 1.5642 2.0277 2.0306 2.6938 2.7029 3.0989 3.1016 3.5742 3.5839 3.7820 3.7842 4.4512 4.4549 4.7672 4.7720 6.4688 6.4712 8.5998 8.6001 9.7741 9.7774 10.5338 10.5343 k = 0.0000 0.0000 0.6395 ( 7709 PWs) bands (ev): -37.8805 -37.8805 -13.6318 -13.6318 -12.7731 -12.7728 -12.2715 -12.2709 -12.0262 -12.0255 -1.9395 -1.9392 -1.1490 -1.1483 0.3862 0.3892 0.8770 0.8802 1.6033 1.6045 2.0567 2.0596 2.6569 2.6659 3.1221 3.1248 3.5942 3.6034 3.7918 3.7944 4.4635 4.4667 4.7738 4.7785 6.4246 6.4267 8.6194 8.6197 9.7667 9.7697 10.5341 10.5346 k = 0.0000 0.0000 0.6541 ( 7711 PWs) bands (ev): -37.8805 -37.8805 -13.6099 -13.6099 -12.7925 -12.7923 -12.2742 -12.2737 -12.0302 -12.0296 -1.9524 -1.9522 -1.1464 -1.1459 0.4013 0.4043 0.8291 0.8322 1.6420 1.6429 2.0844 2.0874 2.6196 2.6283 3.1393 3.1419 3.6157 3.6244 3.8002 3.8032 4.4766 4.4793 4.7790 4.7834 6.3831 6.3849 8.6378 8.6380 9.7596 9.7623 10.5344 10.5348 k = 0.0000 0.0000 0.6686 ( 7715 PWs) bands (ev): -37.8805 -37.8805 -13.5903 -13.5903 -12.8100 -12.8098 -12.2765 -12.2761 -12.0336 -12.0331 -1.9634 -1.9632 -1.1442 -1.1437 0.4187 0.4217 0.7832 0.7862 1.6775 1.6783 2.1107 2.1139 2.5829 2.5912 3.1515 3.1539 3.6376 3.6456 3.8070 3.8102 4.4899 4.4921 4.7828 4.7869 6.3454 6.3470 8.6544 8.6546 9.7530 9.7553 10.5346 10.5350 k = 0.0000 0.0000 0.6831 ( 7718 PWs) bands (ev): -37.8805 -37.8805 -13.5735 -13.5735 -12.8251 -12.8249 -12.2784 -12.2781 -12.0364 -12.0360 -1.9724 -1.9722 -1.1422 -1.1418 0.4384 0.4413 0.7399 0.7428 1.7088 1.7094 2.1353 2.1386 2.5482 2.5558 3.1597 3.1618 3.6584 3.6656 3.8119 3.8153 4.5027 4.5045 4.7854 4.7889 6.3127 6.3140 8.6688 8.6690 9.7473 9.7492 10.5348 10.5351 k = 0.0000 0.0000 0.6977 ( 7714 PWs) bands (ev): -37.8805 -37.8805 -13.5598 -13.5598 -12.8374 -12.8373 -12.2799 -12.2797 -12.0386 -12.0383 -1.9794 -1.9792 -1.1406 -1.1403 0.4596 0.4623 0.7001 0.7029 1.7347 1.7351 2.1576 2.1609 2.5170 2.5236 3.1650 3.1667 3.6768 3.6828 3.8152 3.8184 4.5141 4.5156 4.7870 4.7899 6.2860 6.2870 8.6805 8.6806 9.7426 9.7441 10.5350 10.5352 k = 0.0000 0.0000 0.7122 ( 7722 PWs) bands (ev): -37.8805 -37.8805 -13.5496 -13.5496 -12.8465 -12.8465 -12.2810 -12.2808 -12.0401 -12.0399 -1.9844 -1.9843 -1.1394 -1.1392 0.4810 0.4835 0.6655 0.6679 1.7541 1.7543 2.1764 2.1792 2.4917 2.4967 3.1683 3.1694 3.6916 3.6961 3.8173 3.8198 4.5233 4.5243 4.7880 4.7900 6.2663 6.2670 8.6891 8.6892 9.7392 9.7401 10.5351 10.5352 k = 0.0000 0.0000 0.7267 ( 7722 PWs) bands (ev): -37.8805 -37.8805 -13.5434 -13.5434 -12.8522 -12.8521 -12.2816 -12.2815 -12.0410 -12.0409 -1.9874 -1.9873 -1.1386 -1.1385 0.4995 0.5011 0.6397 0.6413 1.7662 1.7663 2.1898 2.1915 2.4752 2.4780 3.1701 3.1707 3.7017 3.7040 3.8185 3.8199 4.5294 4.5299 4.7886 4.7897 6.2542 6.2545 8.6944 8.6944 9.7371 9.7376 10.5352 10.5352 k = 0.0000 0.0000 0.7413 ( 7718 PWs) bands (ev): -37.8805 -37.8805 -13.5413 -13.5413 -12.8541 -12.8541 -12.2818 -12.2818 -12.0413 -12.0413 -1.9883 -1.9883 -1.1384 -1.1384 0.5082 0.5082 0.6300 0.6300 1.7703 1.7703 2.1953 2.1953 2.4703 2.4703 3.1709 3.1709 3.7060 3.7060 3.8194 3.8194 4.5316 4.5316 4.7892 4.7892 6.2502 6.2502 8.6962 8.6962 9.7366 9.7366 10.5352 10.5352 k = 0.0000 0.0000 0.7413 ( 7718 PWs) bands (ev): -37.8805 -37.8805 -13.5413 -13.5413 -12.8541 -12.8541 -12.2818 -12.2818 -12.0413 -12.0413 -1.9883 -1.9883 -1.1384 -1.1384 0.5082 0.5082 0.6300 0.6300 1.7703 1.7703 2.1953 2.1953 2.4703 2.4703 3.1709 3.1709 3.7060 3.7060 3.8194 3.8194 4.5316 4.5316 4.7892 4.7892 6.2502 6.2502 8.6962 8.6962 9.7366 9.7366 10.5352 10.5352 k =-0.0095 0.0104 0.7413 ( 7718 PWs) bands (ev): -37.8805 -37.8805 -13.5413 -13.5413 -12.8540 -12.8538 -12.2819 -12.2817 -12.0417 -12.0413 -1.9873 -1.9873 -1.1375 -1.1374 0.5070 0.5073 0.6296 0.6299 1.7703 1.7705 2.1946 2.1955 2.4690 2.4697 3.1711 3.1719 3.7047 3.7061 3.8189 3.8205 4.5302 4.5309 4.7890 4.7895 6.2513 6.2516 8.6967 8.6970 9.7361 9.7361 10.5334 10.5336 k =-0.0190 0.0208 0.7413 ( 7718 PWs) bands (ev): -37.8805 -37.8805 -13.5414 -13.5414 -12.8538 -12.8533 -12.2820 -12.2816 -12.0425 -12.0418 -1.9842 -1.9841 -1.1347 -1.1345 0.5037 0.5044 0.6287 0.6294 1.7703 1.7708 2.1935 2.1953 2.4659 2.4674 3.1724 3.1741 3.7023 3.7051 3.8191 3.8222 4.5267 4.5280 4.7891 4.7900 6.2548 6.2554 8.6986 8.6992 9.7345 9.7347 10.5280 10.5284 k =-0.0285 0.0311 0.7413 ( 7722 PWs) bands (ev): -37.8805 -37.8805 -13.5416 -13.5416 -12.8532 -12.8525 -12.2820 -12.2815 -12.0437 -12.0427 -1.9790 -1.9789 -1.1300 -1.1297 0.4985 0.4994 0.6273 0.6284 1.7706 1.7712 2.1920 2.1947 2.4611 2.4634 3.1748 3.1773 3.6989 3.7029 3.8199 3.8244 4.5211 4.5230 4.7892 4.7906 6.2607 6.2617 8.7018 8.7026 9.7320 9.7322 10.5192 10.5199 k =-0.0379 0.0415 0.7413 ( 7714 PWs) bands (ev): -37.8805 -37.8805 -13.5419 -13.5418 -12.8525 -12.8515 -12.2821 -12.2814 -12.0454 -12.0441 -1.9718 -1.9717 -1.1234 -1.1230 0.4913 0.4925 0.6256 0.6270 1.7709 1.7718 2.1902 2.1937 2.4549 2.4578 3.1782 3.1815 3.6946 3.6996 3.8213 3.8270 4.5135 4.5159 4.7894 4.7912 6.2690 6.2703 8.7062 8.7072 9.7284 9.7287 10.5071 10.5080 k =-0.0474 0.0519 0.7413 ( 7718 PWs) bands (ev): -37.8805 -37.8805 -13.5422 -13.5422 -12.8515 -12.8503 -12.2822 -12.2813 -12.0474 -12.0459 -1.9627 -1.9625 -1.1150 -1.1145 0.4822 0.4836 0.6234 0.6252 1.7714 1.7725 2.1880 2.1923 2.4473 2.4508 3.1824 3.1864 3.6895 3.6954 3.8232 3.8299 4.5040 4.5070 4.7895 4.7916 6.2796 6.2812 8.7116 8.7129 9.7239 9.7243 10.4917 10.4928 k =-0.0569 0.0623 0.7413 ( 7722 PWs) bands (ev): -37.8805 -37.8805 -13.5426 -13.5425 -12.8502 -12.8488 -12.2822 -12.2811 -12.0499 -12.0480 -1.9516 -1.9515 -1.1048 -1.1042 0.4712 0.4729 0.6208 0.6229 1.7719 1.7733 2.1855 2.1905 2.4386 2.4426 3.1873 3.1920 3.6839 3.6905 3.8255 3.8331 4.4928 4.4963 4.7894 4.7919 6.2924 6.2943 8.7180 8.7196 9.7184 9.7188 10.4733 10.4746 k =-0.0664 0.0727 0.7413 ( 7720 PWs) bands (ev): -37.8805 -37.8805 -13.5430 -13.5430 -12.8488 -12.8471 -12.2822 -12.2810 -12.0527 -12.0505 -1.9389 -1.9386 -1.0928 -1.0920 0.4585 0.4605 0.6179 0.6203 1.7726 1.7741 2.1827 2.1883 2.4292 2.4336 3.1926 3.1980 3.6777 3.6848 3.8281 3.8365 4.4801 4.4839 4.7890 4.7918 6.3074 6.3095 8.7251 8.7269 9.7120 9.7124 10.4520 10.4535 k =-0.0759 0.0831 0.7413 ( 7732 PWs) bands (ev): -37.8805 -37.8805 -13.5435 -13.5435 -12.8471 -12.8452 -12.2822 -12.2808 -12.0559 -12.0534 -1.9244 -1.9242 -1.0790 -1.0781 0.4442 0.4464 0.6147 0.6174 1.7733 1.7751 2.1796 2.1858 2.4193 2.4239 3.1982 3.2041 3.6711 3.6786 3.8310 3.8399 4.4658 4.4700 4.7881 4.7913 6.3243 6.3267 8.7328 8.7348 9.7046 9.7051 10.4280 10.4297 k =-0.0854 0.0934 0.7413 ( 7736 PWs) bands (ev): -37.8805 -37.8805 -13.5441 -13.5441 -12.8453 -12.8432 -12.2821 -12.2806 -12.0594 -12.0566 -1.9085 -1.9082 -1.0634 -1.0625 0.4284 0.4307 0.6113 0.6143 1.7741 1.7761 2.1762 2.1828 2.4091 2.4139 3.2038 3.2103 3.6643 3.6720 3.8340 3.8434 4.4502 4.4548 4.7867 4.7901 6.3431 6.3458 8.7407 8.7430 9.6963 9.6968 10.4015 10.4035 k =-0.0949 0.1038 0.7413 ( 7732 PWs) bands (ev): -37.8805 -37.8805 -13.5447 -13.5447 -12.8433 -12.8410 -12.2821 -12.2803 -12.0632 -12.0602 -1.8912 -1.8909 -1.0462 -1.0452 0.4113 0.4138 0.6077 0.6110 1.7749 1.7771 2.1725 2.1795 2.3990 2.4038 3.2093 3.2163 3.6573 3.6651 3.8371 3.8469 4.4334 4.4382 4.7846 4.7883 6.3637 6.3666 8.7486 8.7512 9.6871 9.6877 10.3729 10.3750 k =-0.1043 0.1142 0.7413 ( 7736 PWs) bands (ev): -37.8805 -37.8805 -13.5454 -13.5454 -12.8412 -12.8386 -12.2819 -12.2800 -12.0673 -12.0640 -1.8728 -1.8724 -1.0274 -1.0263 0.3931 0.3958 0.6040 0.6075 1.7757 1.7781 2.1685 2.1757 2.3892 2.3940 3.2145 3.2219 3.6502 3.6581 3.8403 3.8504 4.4154 4.4205 4.7818 4.7857 6.3859 6.3891 8.7562 8.7590 9.6772 9.6778 10.3424 10.3447 k =-0.1138 0.1246 0.7413 ( 7738 PWs) bands (ev): -37.8805 -37.8805 -13.5461 -13.5461 -12.8390 -12.8362 -12.2817 -12.2797 -12.0716 -12.0681 -1.8534 -1.8530 -1.0071 -1.0059 0.3740 0.3768 0.6004 0.6041 1.7765 1.7791 2.1641 2.1715 2.3800 2.3846 3.2193 3.2270 3.6432 3.6510 3.8435 3.8539 4.3965 4.4018 4.7781 4.7822 6.4096 6.4130 8.7632 8.7662 9.6666 9.6672 10.3102 10.3127 k =-0.1233 0.1350 0.7413 ( 7732 PWs) bands (ev): -37.8805 -37.8805 -13.5469 -13.5469 -12.8367 -12.8337 -12.2814 -12.2792 -12.0762 -12.0723 -1.8333 -1.8329 -0.9852 -0.9840 0.3543 0.3572 0.5969 0.6009 1.7773 1.7801 2.1594 2.1668 2.3716 2.3760 3.2234 3.2314 3.6364 3.6440 3.8467 3.8573 4.3766 4.3822 4.7734 4.7778 6.4346 6.4382 8.7692 8.7724 9.6554 9.6560 10.2767 10.2794 k =-0.1328 0.1454 0.7413 ( 7732 PWs) bands (ev): -37.8805 -37.8805 -13.5478 -13.5477 -12.8343 -12.8311 -12.2811 -12.2787 -12.0809 -12.0768 -1.8127 -1.8123 -0.9620 -0.9607 0.3342 0.3372 0.5937 0.5978 1.7781 1.7810 2.1541 2.1616 2.3643 2.3685 3.2268 3.2349 3.6297 3.6372 3.8498 3.8607 4.3559 4.3617 4.7677 4.7724 6.4607 6.4645 8.7739 8.7773 9.6436 9.6444 10.2422 10.2451 k =-0.1423 0.1557 0.7413 ( 7736 PWs) bands (ev): -37.8805 -37.8805 -13.5487 -13.5486 -12.8319 -12.8285 -12.2806 -12.2782 -12.0857 -12.0814 -1.7920 -1.7915 -0.9375 -0.9361 0.3141 0.3171 0.5908 0.5952 1.7787 1.7818 2.1484 2.1559 2.3580 2.3621 3.2294 3.2376 3.6235 3.6306 3.8528 3.8639 4.3345 4.3405 4.7610 4.7659 6.4877 6.4917 8.7769 8.7805 9.6316 9.6323 10.2070 10.2101 k =-0.1518 0.1661 0.7413 ( 7740 PWs) bands (ev): -37.8805 -37.8805 -13.5496 -13.5495 -12.8296 -12.8260 -12.2800 -12.2775 -12.0907 -12.0862 -1.7713 -1.7708 -0.9119 -0.9105 0.2943 0.2974 0.5886 0.5930 1.7793 1.7826 2.1421 2.1497 2.3530 2.3573 3.2310 3.2392 3.6176 3.6244 3.8557 3.8669 4.3124 4.3186 4.7532 4.7582 6.5156 6.5198 8.7778 8.7816 9.6193 9.6201 10.1714 10.1746 k =-0.1613 0.1765 0.7413 ( 7744 PWs) bands (ev): -37.8806 -37.8806 -13.5505 -13.5505 -12.8273 -12.8235 -12.2793 -12.2767 -12.0957 -12.0911 -1.7510 -1.7506 -0.8853 -0.8838 0.2752 0.2783 0.5870 0.5916 1.7797 1.7832 2.1353 2.1430 2.3494 2.3539 3.2315 3.2397 3.6122 3.6186 3.8583 3.8697 4.2898 4.2963 4.7442 4.7494 6.5441 6.5485 8.7764 8.7803 9.6071 9.6079 10.1356 10.1390 k =-0.1707 0.1869 0.7413 ( 7740 PWs) bands (ev): -37.8806 -37.8806 -13.5515 -13.5515 -12.8250 -12.8210 -12.2785 -12.2757 -12.1008 -12.0960 -1.7315 -1.7310 -0.8579 -0.8564 0.2572 0.2603 0.5864 0.5911 1.7800 1.7836 2.1280 2.1358 2.3471 2.3520 3.2310 3.2390 3.6073 3.6133 3.8607 3.8722 4.2668 4.2735 4.7340 4.7394 6.5731 6.5776 8.7724 8.7764 9.5949 9.5957 10.0999 10.1035 k =-0.1802 0.1973 0.7413 ( 7740 PWs) bands (ev): -37.8806 -37.8806 -13.5526 -13.5525 -12.8229 -12.8187 -12.2775 -12.2747 -12.1059 -12.1009 -1.7130 -1.7125 -0.8299 -0.8284 0.2407 0.2438 0.5869 0.5917 1.7801 1.7839 2.1202 2.1282 2.3461 2.3517 3.2293 3.2371 3.6030 3.6086 3.8628 3.8744 4.2436 4.2505 4.7226 4.7282 6.6024 6.6070 8.7655 8.7697 9.5829 9.5838 10.0646 10.0683 k =-0.1897 0.2076 0.7413 ( 7728 PWs) bands (ev): -37.8806 -37.8806 -13.5536 -13.5536 -12.8208 -12.8165 -12.2764 -12.2735 -12.1109 -12.1059 -1.6958 -1.6953 -0.8015 -0.8000 0.2262 0.2293 0.5887 0.5935 1.7801 1.7840 2.1120 2.1203 2.3465 2.3528 3.2264 3.2340 3.5992 3.6044 3.8645 3.8760 4.2202 4.2273 4.7099 4.7157 6.6317 6.6365 8.7556 8.7600 9.5713 9.5722 10.0299 10.0337 k =-0.1992 0.2180 0.7413 ( 7740 PWs) bands (ev): -37.8806 -37.8806 -13.5547 -13.5546 -12.8190 -12.8145 -12.2751 -12.2721 -12.1159 -12.1108 -1.6803 -1.6798 -0.7732 -0.7717 0.2142 0.2173 0.5921 0.5969 1.7798 1.7838 2.1036 2.1122 2.3483 2.3551 3.2224 3.2297 3.5959 3.6008 3.8655 3.8770 4.1969 4.2043 4.6961 4.7020 6.6610 6.6659 8.7428 8.7472 9.5600 9.5610 9.9959 9.9998 k =-0.2087 0.2284 0.7413 ( 7760 PWs) bands (ev): -37.8806 -37.8806 -13.5558 -13.5557 -12.8173 -12.8127 -12.2736 -12.2705 -12.1209 -12.1156 -1.6667 -1.6662 -0.7451 -0.7437 0.2051 0.2082 0.5973 0.6021 1.7793 1.7834 2.0950 2.1039 2.3512 2.3587 3.2172 3.2242 3.5931 3.5978 3.8657 3.8772 4.1739 4.1816 4.6810 4.6870 6.6900 6.6950 8.7271 8.7316 9.5491 9.5502 9.9627 9.9667 k =-0.2087 0.2284 0.7413 ( 7760 PWs) bands (ev): -37.8806 -37.8806 -13.5558 -13.5557 -12.8173 -12.8127 -12.2736 -12.2705 -12.1209 -12.1156 -1.6667 -1.6662 -0.7451 -0.7437 0.2051 0.2082 0.5973 0.6021 1.7793 1.7834 2.0950 2.1039 2.3512 2.3587 3.2172 3.2242 3.5931 3.5978 3.8657 3.8772 4.1739 4.1816 4.6810 4.6870 6.6900 6.6950 8.7271 8.7316 9.5491 9.5502 9.9627 9.9667 k =-0.2156 0.2360 0.7310 ( 7758 PWs) bands (ev): -37.8806 -37.8806 -13.5572 -13.5572 -12.8159 -12.8112 -12.2697 -12.2665 -12.1267 -12.1215 -1.6554 -1.6548 -0.7227 -0.7213 0.1868 0.1900 0.6088 0.6137 1.7865 1.7908 2.0502 2.0586 2.3909 2.3981 3.2079 3.2151 3.6010 3.6062 3.8724 3.8841 4.1395 4.1477 4.6696 4.6758 6.7096 6.7148 8.7189 8.7234 9.5401 9.5407 9.9371 9.9412 k =-0.2226 0.2436 0.7207 ( 7763 PWs) bands (ev): -37.8806 -37.8806 -13.5596 -13.5596 -12.8140 -12.8092 -12.2656 -12.2623 -12.1321 -12.1268 -1.6446 -1.6440 -0.7019 -0.7006 0.1738 0.1770 0.6217 0.6266 1.7908 1.7953 2.0043 2.0122 2.4317 2.4387 3.1982 3.2058 3.6052 3.6109 3.8806 3.8923 4.1068 4.1154 4.6563 4.6626 6.7308 6.7362 8.7078 8.7124 9.5312 9.5314 9.9139 9.9180 k =-0.2295 0.2512 0.7104 ( 7771 PWs) bands (ev): -37.8806 -37.8806 -13.5628 -13.5628 -12.8116 -12.8068 -12.2615 -12.2580 -12.1368 -12.1315 -1.6345 -1.6339 -0.6832 -0.6818 0.1663 0.1696 0.6358 0.6408 1.7921 1.7967 1.9575 1.9649 2.4732 2.4802 3.1883 3.1963 3.6060 3.6120 3.8894 3.9004 4.0771 4.0861 4.6410 4.6475 6.7534 6.7589 8.6942 8.6986 9.5222 9.5224 9.8930 9.8972 k =-0.2364 0.2588 0.7001 ( 7777 PWs) bands (ev): -37.8806 -37.8806 -13.5667 -13.5666 -12.8090 -12.8041 -12.2575 -12.2539 -12.1408 -12.1355 -1.6253 -1.6246 -0.6666 -0.6653 0.1649 0.1682 0.6513 0.6563 1.7904 1.7949 1.9102 1.9171 2.5152 2.5222 3.1784 3.1867 3.6037 3.6099 3.8967 3.9062 4.0528 4.0619 4.6238 4.6305 6.7771 6.7827 8.6780 8.6824 9.5130 9.5137 9.8746 9.8788 k =-0.2434 0.2664 0.6899 ( 7771 PWs) bands (ev): -37.8806 -37.8806 -13.5710 -13.5710 -12.8061 -12.8013 -12.2539 -12.2501 -12.1439 -12.1387 -1.6170 -1.6163 -0.6523 -0.6510 0.1694 0.1727 0.6679 0.6729 1.7854 1.7895 1.8627 1.8689 2.5574 2.5644 3.1683 3.1770 3.5989 3.6051 3.8994 3.9060 4.0370 4.0458 4.6048 4.6118 6.8017 6.8075 8.6595 8.6639 9.5039 9.5050 9.8587 9.8629 k =-0.2503 0.2740 0.6796 ( 7767 PWs) bands (ev): -37.8806 -37.8806 -13.5758 -13.5757 -12.8032 -12.7983 -12.2508 -12.2468 -12.1460 -12.1409 -1.6100 -1.6092 -0.6400 -0.6387 0.1798 0.1830 0.6859 0.6908 1.7761 1.7783 1.8173 1.8220 2.5996 2.6066 3.1582 3.1673 3.5923 3.5985 3.8943 3.8973 4.0323 4.0407 4.5842 4.5914 6.8269 6.8328 8.6391 8.6434 9.4948 9.4963 9.8453 9.8493 k =-0.2572 0.2816 0.6693 ( 7767 PWs) bands (ev): -37.8806 -37.8806 -13.5807 -13.5807 -12.8003 -12.7954 -12.2485 -12.2442 -12.1470 -12.1419 -1.6041 -1.6033 -0.6297 -0.6284 0.1957 0.1989 0.7051 0.7100 1.7495 1.7551 1.7817 1.7880 2.6414 2.6486 3.1481 3.1575 3.5844 3.5905 3.8800 3.8819 4.0378 4.0464 4.5621 4.5694 6.8526 6.8587 8.6170 8.6213 9.4858 9.4877 9.8341 9.8380 k =-0.2642 0.2891 0.6590 ( 7754 PWs) bands (ev): -37.8806 -37.8806 -13.5858 -13.5858 -12.7974 -12.7925 -12.2470 -12.2425 -12.1467 -12.1417 -1.5995 -1.5987 -0.6209 -0.6196 0.2166 0.2197 0.7257 0.7304 1.7039 1.7110 1.7631 1.7706 2.6827 2.6900 3.1379 3.1477 3.5759 3.5819 3.8594 3.8633 4.0505 4.0593 4.5387 4.5462 6.8786 6.8847 8.5935 8.5977 9.4769 9.4792 9.8250 9.8287 k =-0.2711 0.2967 0.6487 ( 7749 PWs) bands (ev): -37.8806 -37.8806 -13.5909 -13.5909 -12.7947 -12.7898 -12.2464 -12.2418 -12.1452 -12.1404 -1.5963 -1.5954 -0.6134 -0.6121 0.2419 0.2449 0.7476 0.7523 1.6538 1.6607 1.7477 1.7551 2.7232 2.7305 3.1277 3.1378 3.5671 3.5730 3.8370 3.8423 4.0673 4.0763 4.5142 4.5217 6.9045 6.9107 8.5691 8.5732 9.4683 9.4709 9.8178 9.8213 k =-0.2781 0.3043 0.6384 ( 7750 PWs) bands (ev): -37.8806 -37.8806 -13.5959 -13.5959 -12.7921 -12.7871 -12.2467 -12.2420 -12.1426 -12.1380 -1.5943 -1.5934 -0.6067 -0.6053 0.2708 0.2737 0.7709 0.7755 1.6022 1.6089 1.7314 1.7387 2.7625 2.7698 3.1174 3.1279 3.5585 3.5644 3.8143 3.8207 4.0866 4.0955 4.4887 4.4964 6.9303 6.9366 8.5439 8.5479 9.4600 9.4629 9.8122 9.8156 k =-0.2850 0.3119 0.6282 ( 7758 PWs) bands (ev): -37.8806 -37.8806 -13.6007 -13.6007 -12.7896 -12.7847 -12.2477 -12.2430 -12.1391 -12.1346 -1.5935 -1.5925 -0.6006 -0.5992 0.3027 0.3054 0.7957 0.8001 1.5498 1.5561 1.7139 1.7212 2.8002 2.8076 3.1072 3.1179 3.5504 3.5562 3.7923 3.7994 4.1073 4.1161 4.4627 4.4704 6.9556 6.9620 8.5185 8.5224 9.4521 9.4553 9.8081 9.8112 k =-0.2919 0.3195 0.6179 ( 7762 PWs) bands (ev): -37.8806 -37.8806 -13.6053 -13.6053 -12.7874 -12.7825 -12.2494 -12.2446 -12.1350 -12.1307 -1.5939 -1.5929 -0.5947 -0.5933 0.3366 0.3391 0.8220 0.8263 1.4967 1.5028 1.6956 1.7028 2.8361 2.8436 3.0969 3.1080 3.5431 3.5488 3.7713 3.7790 4.1287 4.1373 4.4362 4.4439 6.9803 6.9867 8.4932 8.4969 9.4448 9.4483 9.8051 9.8080 k =-0.2989 0.3271 0.6076 ( 7764 PWs) bands (ev): -37.8806 -37.8806 -13.6095 -13.6095 -12.7854 -12.7805 -12.2515 -12.2467 -12.1305 -12.1262 -1.5952 -1.5942 -0.5891 -0.5876 0.3719 0.3742 0.8498 0.8539 1.4432 1.4491 1.6767 1.6838 2.8698 2.8773 3.0867 3.0980 3.5365 3.5423 3.7518 3.7598 4.1505 4.1590 4.4097 4.4173 7.0042 7.0106 8.4682 8.4719 9.4381 9.4419 9.8031 9.8057 k =-0.3058 0.3347 0.5973 ( 7768 PWs) bands (ev): -37.8806 -37.8806 -13.6134 -13.6134 -12.7835 -12.7787 -12.2540 -12.2492 -12.1258 -12.1216 -1.5974 -1.5963 -0.5834 -0.5819 0.4076 0.4097 0.8792 0.8831 1.3895 1.3952 1.6577 1.6648 2.9008 2.9084 3.0764 3.0880 3.5308 3.5366 3.7340 3.7423 4.1725 4.1808 4.3833 4.3908 7.0269 7.0333 8.4441 8.4476 9.4322 9.4362 9.8019 9.8043 k =-0.3127 0.3423 0.5870 ( 7770 PWs) bands (ev): -37.8806 -37.8806 -13.6168 -13.6168 -12.7819 -12.7771 -12.2566 -12.2519 -12.1211 -12.1170 -1.6003 -1.5992 -0.5777 -0.5762 0.4430 0.4448 0.9101 0.9138 1.3358 1.3414 1.6393 1.6462 2.9287 2.9364 3.0661 3.0782 3.5258 3.5315 3.7184 3.7268 4.1945 4.2027 4.3574 4.3647 7.0482 7.0545 8.4212 8.4246 9.4270 9.4313 9.8013 9.8034 k =-0.3197 0.3499 0.5767 ( 7769 PWs) bands (ev): -37.8806 -37.8806 -13.6198 -13.6198 -12.7805 -12.7757 -12.2594 -12.2547 -12.1166 -12.1124 -1.6036 -1.6025 -0.5721 -0.5706 0.4771 0.4786 0.9425 0.9458 1.2827 1.2880 1.6220 1.6287 2.9530 2.9610 3.0560 3.0686 3.5210 3.5266 3.7055 3.7139 4.2164 4.2244 4.3324 4.3393 7.0678 7.0741 8.3998 8.4030 9.4228 9.4273 9.8011 9.8030 k =-0.3266 0.3575 0.5665 ( 7763 PWs) bands (ev): -37.8806 -37.8806 -13.6223 -13.6222 -12.7794 -12.7745 -12.2621 -12.2575 -12.1124 -12.1082 -1.6073 -1.6062 -0.5667 -0.5651 0.5091 0.5103 0.9758 0.9789 1.2305 1.2356 1.6065 1.6129 2.9726 2.9807 3.0471 3.0601 3.5159 3.5214 3.6961 3.7043 4.2380 4.2460 4.3085 4.3148 7.0854 7.0917 8.3803 8.3834 9.4196 9.4243 9.8013 9.8029 k =-0.3335 0.3651 0.5562 ( 7759 PWs) bands (ev): -37.8806 -37.8806 -13.6242 -13.6242 -12.7784 -12.7736 -12.2648 -12.2603 -12.1085 -12.1043 -1.6112 -1.6100 -0.5615 -0.5599 0.5380 0.5391 1.0092 1.0117 1.1808 1.1854 1.5935 1.5996 2.9851 2.9921 3.0429 3.0550 3.5096 3.5150 3.6909 3.6986 4.2586 4.2669 4.2868 4.2919 7.1008 7.1070 8.3631 8.3660 9.4174 9.4223 9.8017 9.8030 k =-0.3405 0.3727 0.5459 ( 7763 PWs) bands (ev): -37.8806 -37.8806 -13.6256 -13.6255 -12.7776 -12.7728 -12.2674 -12.2630 -12.1051 -12.1009 -1.6150 -1.6139 -0.5566 -0.5550 0.5630 0.5640 1.0383 1.0398 1.1386 1.1417 1.5837 1.5894 2.9865 2.9906 3.0482 3.0568 3.5016 3.5068 3.6903 3.6972 4.2606 4.2687 4.2836 4.2904 7.1136 7.1197 8.3484 8.3513 9.4162 9.4213 9.8022 9.8034 k =-0.3474 0.3802 0.5356 ( 7763 PWs) bands (ev): -37.8806 -37.8806 -13.6264 -13.6263 -12.7771 -12.7723 -12.2698 -12.2655 -12.1023 -12.0980 -1.6188 -1.6176 -0.5523 -0.5507 0.5832 0.5844 1.0404 1.0443 1.1243 1.1260 1.5779 1.5830 2.9760 2.9797 3.0604 3.0657 3.4915 3.4964 3.6944 3.7004 4.2422 4.2485 4.3036 4.3107 7.1235 7.1295 8.3368 8.3395 9.4161 9.4214 9.8028 9.8038 k =-0.3543 0.3878 0.5253 ( 7764 PWs) bands (ev): -37.8806 -37.8806 -13.6266 -13.6266 -12.7768 -12.7720 -12.2721 -12.2679 -12.1000 -12.0956 -1.6222 -1.6211 -0.5487 -0.5471 0.5979 0.5993 1.0069 1.0123 1.1474 1.1506 1.5768 1.5812 2.9581 2.9631 3.0750 3.0786 3.4792 3.4839 3.7028 3.7077 4.2244 4.2297 4.3243 4.3313 7.1303 7.1361 8.3284 8.3310 9.4172 9.4226 9.8034 9.8043 k =-0.3543 0.3878 0.5253 ( 7764 PWs) bands (ev): -37.8806 -37.8806 -13.6266 -13.6266 -12.7768 -12.7720 -12.2721 -12.2679 -12.1000 -12.0956 -1.6222 -1.6211 -0.5487 -0.5471 0.5979 0.5993 1.0069 1.0123 1.1474 1.1506 1.5768 1.5812 2.9581 2.9631 3.0750 3.0786 3.4792 3.4839 3.7028 3.7077 4.2244 4.2297 4.3243 4.3313 7.1303 7.1361 8.3284 8.3310 9.4172 9.4226 9.8034 9.8043 k =-0.3474 0.3802 0.5150 ( 7764 PWs) bands (ev): -37.8806 -37.8806 -13.6369 -13.6368 -12.7688 -12.7639 -12.2739 -12.2696 -12.0917 -12.0872 -1.6040 -1.6028 -0.5537 -0.5521 0.5907 0.5918 0.9756 0.9810 1.1245 1.1275 1.5398 1.5447 2.9922 2.9985 3.0593 3.0622 3.4841 3.4879 3.7216 3.7266 4.2411 4.2453 4.3274 4.3359 7.1435 7.1495 8.3329 8.3356 9.4302 9.4358 9.8329 9.8338 k =-0.3404 0.3726 0.5047 ( 7764 PWs) bands (ev): -37.8806 -37.8806 -13.6484 -13.6484 -12.7599 -12.7551 -12.2750 -12.2706 -12.0832 -12.0785 -1.5862 -1.5850 -0.5610 -0.5595 0.5871 0.5879 0.9461 0.9514 1.1045 1.1072 1.5027 1.5081 3.0184 3.0310 3.0421 3.0472 3.4904 3.4933 3.7381 3.7430 4.2577 4.2604 4.3296 4.3400 7.1563 7.1624 8.3392 8.3421 9.4438 9.4495 9.8614 9.8623 k =-0.3335 0.3650 0.4944 ( 7768 PWs) bands (ev): -37.8806 -37.8806 -13.6612 -13.6612 -12.7503 -12.7455 -12.2755 -12.2710 -12.0744 -12.0696 -1.5689 -1.5676 -0.5707 -0.5691 0.5865 0.5870 0.9183 0.9234 1.0879 1.0904 1.4656 1.4715 3.0058 3.0141 3.0658 3.0692 3.4980 3.4999 3.7525 3.7571 4.2720 4.2737 4.3321 4.3449 7.1683 7.1746 8.3473 8.3503 9.4578 9.4637 9.8889 9.8898 k =-0.3266 0.3574 0.4841 ( 7756 PWs) bands (ev): -37.8806 -37.8806 -13.6753 -13.6752 -12.7399 -12.7350 -12.2753 -12.2708 -12.0654 -12.0605 -1.5520 -1.5507 -0.5826 -0.5811 0.5883 0.5887 0.8922 0.8970 1.0755 1.0779 1.4287 1.4351 2.9780 2.9850 3.0971 3.1013 3.5063 3.5072 3.7651 3.7691 4.2808 4.2833 4.3376 4.3523 7.1794 7.1858 8.3571 8.3601 9.4724 9.4784 9.9152 9.9161 k =-0.3196 0.3498 0.4738 ( 7760 PWs) bands (ev): -37.8806 -37.8806 -13.6906 -13.6905 -12.7287 -12.7238 -12.2744 -12.2699 -12.0562 -12.0512 -1.5356 -1.5343 -0.5966 -0.5952 0.5914 0.5920 0.8676 0.8720 1.0682 1.0706 1.3924 1.3993 2.9460 2.9526 3.1279 3.1327 3.5146 3.5148 3.7761 3.7794 4.2834 4.2859 4.3485 4.3633 7.1894 7.1959 8.3685 8.3716 9.4875 9.4935 9.9403 9.9413 k =-0.3127 0.3422 0.4635 ( 7767 PWs) bands (ev): -37.8806 -37.8806 -13.7072 -13.7070 -12.7166 -12.7118 -12.2729 -12.2683 -12.0468 -12.0416 -1.5196 -1.5183 -0.6125 -0.6111 0.5951 0.5961 0.8444 0.8482 1.0666 1.0692 1.3568 1.3642 2.9109 2.9174 3.1575 3.1626 3.5215 3.5227 3.7862 3.7886 4.2802 4.2821 4.3636 4.3774 7.1982 7.2048 8.3813 8.3844 9.5031 9.5092 9.9643 9.9652 k =-0.3057 0.3346 0.4532 ( 7765 PWs) bands (ev): -37.8806 -37.8806 -13.7248 -13.7247 -12.7038 -12.6990 -12.2708 -12.2662 -12.0372 -12.0320 -1.5040 -1.5027 -0.6300 -0.6288 0.5983 0.5999 0.8226 0.8257 1.0711 1.0740 1.3225 1.3304 2.8735 2.8799 3.1855 3.1910 3.5273 3.5296 3.7959 3.7971 4.2726 4.2743 4.3804 4.3931 7.2054 7.2121 8.3953 8.3984 9.5192 9.5254 9.9870 9.9880 k =-0.2988 0.3270 0.4429 ( 7769 PWs) bands (ev): -37.8806 -37.8806 -13.7436 -13.7435 -12.6901 -12.6854 -12.2681 -12.2634 -12.0275 -12.0221 -1.4887 -1.4874 -0.6489 -0.6477 0.6003 0.6026 0.8021 0.8045 1.0817 1.0848 1.2903 1.2987 2.8341 2.8404 3.2117 3.2174 3.5312 3.5347 3.8054 3.8059 4.2616 4.2639 4.3976 4.4091 7.2110 7.2177 8.4103 8.4135 9.5359 9.5421 10.0086 10.0096 k =-0.2918 0.3194 0.4326 ( 7769 PWs) bands (ev): -37.8806 -37.8806 -13.7634 -13.7633 -12.6757 -12.6710 -12.2649 -12.2602 -12.0176 -12.0122 -1.4737 -1.4724 -0.6688 -0.6677 0.6004 0.6035 0.7830 0.7848 1.0969 1.1001 1.2618 1.2706 2.7930 2.7992 3.2358 3.2418 3.5328 3.5374 3.8146 3.8161 4.2484 4.2514 4.4141 4.4247 7.2148 7.2215 8.4262 8.4293 9.5531 9.5593 10.0291 10.0300 k =-0.2849 0.3118 0.4223 ( 7759 PWs) bands (ev): -37.8806 -37.8806 -13.7842 -13.7840 -12.6605 -12.6560 -12.2611 -12.2564 -12.0076 -12.0021 -1.4588 -1.4575 -0.6894 -0.6884 0.5981 0.6022 0.7654 0.7666 1.1132 1.1159 1.2411 1.2496 2.7505 2.7566 3.2577 3.2639 3.5315 3.5373 3.8247 3.8274 4.2337 4.2374 4.4297 4.4394 7.2165 7.2232 8.4425 8.4457 9.5708 9.5770 10.0484 10.0494 k =-0.2779 0.3042 0.4120 ( 7759 PWs) bands (ev): -37.8806 -37.8806 -13.8057 -13.8056 -12.6447 -12.6402 -12.2569 -12.2522 -11.9975 -11.9920 -1.4440 -1.4428 -0.7105 -0.7096 0.5934 0.5984 0.7493 0.7504 1.1219 1.1235 1.2370 1.2437 2.7070 2.7130 3.2770 3.2834 3.5271 3.5338 3.8360 3.8399 4.2179 4.2222 4.4441 4.4531 7.2161 7.2228 8.4592 8.4622 9.5890 9.5952 10.0668 10.0678 k =-0.2710 0.2966 0.4017 ( 7759 PWs) bands (ev): -37.8806 -37.8806 -13.8281 -13.8279 -12.6282 -12.6238 -12.2522 -12.2475 -11.9873 -11.9818 -1.4291 -1.4280 -0.7318 -0.7309 0.5863 0.5921 0.7348 0.7362 1.1137 1.1177 1.2559 1.2600 2.6626 2.6685 3.2936 3.3000 3.5195 3.5270 3.8488 3.8537 4.2015 4.2064 4.4571 4.4655 7.2134 7.2201 8.4757 8.4788 9.6078 9.6139 10.0842 10.0852 k =-0.2640 0.2890 0.3914 ( 7763 PWs) bands (ev): -37.8807 -37.8807 -13.8511 -13.8510 -12.6111 -12.6068 -12.2472 -12.2425 -11.9771 -11.9715 -1.4142 -1.4131 -0.7530 -0.7521 0.5768 0.5834 0.7222 0.7237 1.0953 1.1017 1.2913 1.2940 2.6177 2.6234 3.3069 3.3135 3.5086 3.5167 3.8630 3.8687 4.1849 4.1903 4.4689 4.4767 7.2082 7.2149 8.4918 8.4949 9.6271 9.6332 10.1008 10.1018 k =-0.2571 0.2814 0.3811 ( 7755 PWs) bands (ev): -37.8807 -37.8807 -13.8747 -13.8745 -12.5934 -12.5893 -12.2418 -12.2371 -11.9668 -11.9612 -1.3991 -1.3980 -0.7738 -0.7729 0.5653 0.5723 0.7113 0.7128 1.0740 1.0819 1.3357 1.3381 2.5725 2.5780 3.3167 3.3234 3.4949 3.5032 3.8784 3.8847 4.1685 4.1743 4.4794 4.4868 7.2006 7.2072 8.5072 8.5102 9.6471 9.6530 10.1167 10.1176 k =-0.2501 0.2738 0.3708 ( 7751 PWs) bands (ev): -37.8807 -37.8807 -13.8988 -13.8986 -12.5753 -12.5712 -12.2361 -12.2315 -11.9565 -11.9510 -1.3836 -1.3826 -0.7940 -0.7932 0.5521 0.5594 0.7018 0.7031 1.0530 1.0619 1.3856 1.3880 2.5275 2.5327 3.3225 3.3292 3.4786 3.4869 3.8948 3.9015 4.1526 4.1587 4.4890 4.4958 7.1903 7.1968 8.5214 8.5244 9.6676 9.6734 10.1319 10.1328 k =-0.2432 0.2662 0.3605 ( 7759 PWs) bands (ev): -37.8807 -37.8807 -13.9232 -13.9231 -12.5568 -12.5528 -12.2302 -12.2256 -11.9463 -11.9407 -1.3678 -1.3668 -0.8134 -0.8126 0.5375 0.5449 0.6933 0.6942 1.0337 1.0433 1.4387 1.4413 2.4830 2.4880 3.3235 3.3304 3.4607 3.4687 3.9117 3.9187 4.1374 4.1440 4.4977 4.5041 7.1773 7.1838 8.5342 8.5372 9.6888 9.6944 10.1466 10.1475 k =-0.2362 0.2586 0.3502 ( 7769 PWs) bands (ev): -37.8807 -37.8807 -13.9480 -13.9478 -12.5378 -12.5340 -12.2241 -12.2195 -11.9360 -11.9305 -1.3516 -1.3507 -0.8319 -0.8310 0.5219 0.5292 0.6853 0.6858 1.0168 1.0270 1.4936 1.4965 2.4397 2.4444 3.3190 3.3260 3.4420 3.4495 3.9287 3.9357 4.1234 4.1305 4.5059 4.5118 7.1616 7.1681 8.5451 8.5481 9.7107 9.7161 10.1608 10.1617 k =-0.2293 0.2510 0.3399 ( 7761 PWs) bands (ev): -37.8807 -37.8807 -13.9729 -13.9727 -12.5186 -12.5149 -12.2177 -12.2132 -11.9258 -11.9203 -1.3348 -1.3340 -0.8491 -0.8482 0.5054 0.5126 0.6775 0.6778 1.0027 1.0133 1.5487 1.5518 2.3985 2.4029 3.3078 3.3151 3.4239 3.4306 3.9451 3.9518 4.1110 4.1186 4.5138 4.5194 7.1431 7.1496 8.5539 8.5569 9.7334 9.7386 10.1746 10.1755 k =-0.2223 0.2433 0.3296 ( 7757 PWs) bands (ev): -37.8807 -37.8807 -13.9979 -13.9977 -12.4991 -12.4956 -12.2113 -12.2068 -11.9157 -11.9102 -1.3176 -1.3168 -0.8650 -0.8640 0.4884 0.4954 0.6695 0.6701 0.9916 1.0025 1.6021 1.6055 2.3608 2.3647 3.2895 3.2970 3.4072 3.4132 3.9597 3.9660 4.1010 4.1092 4.5218 4.5271 7.1219 7.1283 8.5603 8.5632 9.7570 9.7619 10.1882 10.1891 k =-0.2154 0.2357 0.3193 ( 7757 PWs) bands (ev): -37.8807 -37.8807 -14.0229 -14.0228 -12.4795 -12.4760 -12.2047 -12.2004 -11.9056 -11.9002 -1.2999 -1.2992 -0.8793 -0.8782 0.4708 0.4775 0.6615 0.6625 0.9835 0.9945 1.6513 1.6553 2.3284 2.3318 3.2645 3.2720 3.3920 3.3974 3.9709 3.9766 4.0947 4.1036 4.5302 4.5352 7.0978 7.1042 8.5640 8.5669 9.7813 9.7860 10.2015 10.2024 k =-0.2084 0.2281 0.3090 ( 7751 PWs) bands (ev): -37.8807 -37.8807 -14.0479 -14.0478 -12.4597 -12.4564 -12.1981 -12.1938 -11.8957 -11.8904 -1.2816 -1.2810 -0.8918 -0.8906 0.4529 0.4593 0.6536 0.6549 0.9783 0.9892 1.6933 1.6980 2.3040 2.3069 3.2339 3.2412 3.3777 3.3826 3.9766 3.9815 4.0940 4.1034 4.5393 4.5441 7.0710 7.0774 8.5648 8.5676 9.8065 9.8110 10.2146 10.2155 k =-0.2015 0.2205 0.2987 ( 7747 PWs) bands (ev): -37.8807 -37.8807 -14.0727 -14.0726 -12.4399 -12.4367 -12.1915 -12.1873 -11.8859 -11.8807 -1.2630 -1.2624 -0.9024 -0.9010 0.4347 0.4408 0.6459 0.6475 0.9756 0.9864 1.7243 1.7297 2.2910 2.2935 3.1991 3.2062 3.3635 3.3680 3.9752 3.9798 4.1000 4.1095 4.5492 4.5538 7.0415 7.0478 8.5625 8.5654 9.8327 9.8369 10.2275 10.2285 k =-0.1945 0.2129 0.2884 ( 7747 PWs) bands (ev): -37.8807 -37.8807 -14.0973 -14.0972 -12.4201 -12.4170 -12.1849 -12.1807 -11.8762 -11.8711 -1.2441 -1.2436 -0.9107 -0.9091 0.4164 0.4221 0.6386 0.6404 0.9752 0.9858 1.7406 1.7468 2.2926 2.2950 3.1614 3.1680 3.3489 3.3531 3.9673 3.9720 4.1119 4.1211 4.5602 4.5646 7.0092 7.0155 8.5572 8.5600 9.8596 9.8636 10.2403 10.2413 k =-0.1876 0.2053 0.2781 ( 7757 PWs) bands (ev): -37.8807 -37.8807 -14.1216 -14.1215 -12.4003 -12.3973 -12.1783 -12.1742 -11.8667 -11.8617 -1.2251 -1.2246 -0.9164 -0.9147 0.3980 0.4033 0.6319 0.6339 0.9767 0.9870 1.7405 1.7473 2.3102 2.3129 3.1216 3.1278 3.3334 3.3374 3.9547 3.9597 4.1278 4.1366 4.5723 4.5766 6.9743 6.9805 8.5488 8.5516 9.8874 9.8910 10.2530 10.2539 k =-0.1806 0.1977 0.2678 ( 7757 PWs) bands (ev): -37.8808 -37.8808 -14.1455 -14.1455 -12.3807 -12.3778 -12.1717 -12.1677 -11.8574 -11.8525 -1.2064 -1.2057 -0.9193 -0.9173 0.3797 0.3847 0.6258 0.6279 0.9796 0.9896 1.7248 1.7320 2.3426 2.3455 3.0807 3.0864 3.3170 3.3208 3.9391 3.9444 4.1461 4.1544 4.5856 4.5898 6.9367 6.9429 8.5373 8.5401 9.9158 9.9193 10.2655 10.2664 k =-0.1737 0.1901 0.2575 ( 7771 PWs) bands (ev): -37.8808 -37.8808 -14.1691 -14.1690 -12.3612 -12.3585 -12.1652 -12.1614 -11.8483 -11.8436 -1.1881 -1.1873 -0.9189 -0.9167 0.3616 0.3663 0.6204 0.6226 0.9837 0.9933 1.6966 1.7039 2.3864 2.3896 3.0392 3.0445 3.2997 3.3033 3.9217 3.9273 4.1659 4.1737 4.5999 4.6040 6.8966 6.9027 8.5230 8.5257 9.9449 9.9481 10.2778 10.2788 k =-0.1668 0.1825 0.2472 ( 7755 PWs) bands (ev): -37.8808 -37.8808 -14.1921 -14.1920 -12.3420 -12.3394 -12.1589 -12.1551 -11.8395 -11.8348 -1.1707 -1.1698 -0.9148 -0.9124 0.3440 0.3483 0.6159 0.6181 0.9885 0.9977 1.6590 1.6663 2.4378 2.4413 2.9979 3.0028 3.2815 3.2850 3.9034 3.9093 4.1864 4.1938 4.6153 4.6192 6.8540 6.8601 8.5058 8.5085 9.9745 9.9774 10.2900 10.2909 k =-0.1598 0.1749 0.2369 ( 7761 PWs) bands (ev): -37.8808 -37.8808 -14.2146 -14.2145 -12.3230 -12.3206 -12.1526 -12.1490 -11.8308 -11.8264 -1.1546 -1.1535 -0.9067 -0.9040 0.3268 0.3309 0.6120 0.6143 0.9937 1.0025 1.6146 1.6218 2.4931 2.4970 2.9575 2.9620 3.2625 3.2659 3.8852 3.8913 4.2073 4.2143 4.6315 4.6353 6.8090 6.8150 8.4862 8.4889 10.0044 10.0071 10.3020 10.3029 k =-0.1529 0.1673 0.2266 ( 7765 PWs) bands (ev): -37.8808 -37.8808 -14.2365 -14.2364 -12.3045 -12.3021 -12.1465 -12.1430 -11.8225 -11.8182 -1.1399 -1.1387 -0.8943 -0.8913 0.3105 0.3142 0.6088 0.6111 0.9991 1.0075 1.5654 1.5725 2.5495 2.5539 2.9189 2.9230 3.2428 3.2460 3.8679 3.8742 4.2284 4.2350 4.6484 4.6521 6.7616 6.7676 8.4643 8.4669 10.0345 10.0370 10.3137 10.3146 k =-0.1459 0.1597 0.2163 ( 7751 PWs) bands (ev): -37.8808 -37.8808 -14.2577 -14.2577 -12.2863 -12.2841 -12.1406 -12.1372 -11.8144 -11.8102 -1.1269 -1.1256 -0.8774 -0.8742 0.2950 0.2985 0.6063 0.6086 1.0044 1.0122 1.5127 1.5197 2.6037 2.6091 2.8832 2.8873 3.2225 3.2255 3.8526 3.8591 4.2495 4.2556 4.6658 4.6694 6.7121 6.7180 8.4405 8.4430 10.0646 10.0670 10.3251 10.3260 k =-0.1390 0.1521 0.2060 ( 7757 PWs) bands (ev): -37.8808 -37.8808 -14.2783 -14.2782 -12.2685 -12.2665 -12.1348 -12.1316 -11.8066 -11.8026 -1.1155 -1.1140 -0.8561 -0.8528 0.2805 0.2838 0.6041 0.6064 1.0092 1.0167 1.4573 1.4642 2.6518 2.6588 2.8529 2.8576 3.2016 3.2045 3.8404 3.8470 4.2703 4.2761 4.6835 4.6870 6.6604 6.6663 8.4150 8.4175 10.0946 10.0969 10.3363 10.3372 k =-0.1320 0.1445 0.1957 ( 7757 PWs) bands (ev): -37.8808 -37.8808 -14.2981 -14.2980 -12.2513 -12.2494 -12.1293 -12.1262 -11.7991 -11.7953 -1.1054 -1.1039 -0.8308 -0.8274 0.2672 0.2703 0.6022 0.6045 1.0136 1.0205 1.3999 1.4067 2.6865 2.6955 2.8339 2.8399 3.1803 3.1830 3.8325 3.8391 4.2909 4.2963 4.7015 4.7048 6.6067 6.6125 8.3881 8.3905 10.1243 10.1264 10.3471 10.3480 k =-0.1251 0.1369 0.1854 ( 7745 PWs) bands (ev): -37.8808 -37.8808 -14.3171 -14.3171 -12.2346 -12.2329 -12.1239 -12.1210 -11.7919 -11.7883 -1.0964 -1.0949 -0.8018 -0.7983 0.2553 0.2582 0.6004 0.6027 1.0172 1.0236 1.3411 1.3477 2.6981 2.7078 2.8366 2.8429 3.1586 3.1611 3.8302 3.8369 4.3110 4.3161 4.7194 4.7225 6.5511 6.5569 8.3603 8.3626 10.1536 10.1555 10.3575 10.3584 k =-0.1181 0.1293 0.1751 ( 7745 PWs) bands (ev): -37.8808 -37.8808 -14.3353 -14.3353 -12.2186 -12.2169 -12.1188 -12.1160 -11.7850 -11.7816 -1.0881 -1.0867 -0.7696 -0.7660 0.2448 0.2475 0.5984 0.6008 1.0200 1.0258 1.2812 1.2876 2.6887 2.6970 2.8584 2.8633 3.1366 3.1390 3.8348 3.8414 4.3306 4.3354 4.7372 4.7402 6.4938 6.4995 8.3317 8.3340 10.1822 10.1841 10.3676 10.3685 k =-0.1112 0.1217 0.1648 ( 7743 PWs) bands (ev): -37.8809 -37.8809 -14.3526 -14.3526 -12.2032 -12.2016 -12.1139 -12.1113 -11.7785 -11.7753 -1.0804 -1.0791 -0.7344 -0.7308 0.2358 0.2384 0.5960 0.5984 1.0218 1.0270 1.2207 1.2269 2.6700 2.6769 2.8849 2.8885 3.1144 3.1167 3.8473 3.8538 4.3497 4.3541 4.7547 4.7575 6.4349 6.4405 8.3028 8.3050 10.2101 10.2118 10.3773 10.3781 k =-0.1042 0.1141 0.1545 ( 7743 PWs) bands (ev): -37.8809 -37.8809 -14.3691 -14.3691 -12.1884 -12.1870 -12.1093 -12.1068 -11.7724 -11.7693 -1.0731 -1.0718 -0.6968 -0.6930 0.2285 0.2310 0.5928 0.5953 1.0224 1.0267 1.1603 1.1661 2.6492 2.6552 2.9079 2.9107 3.0922 3.0942 3.8683 3.8746 4.3681 4.3722 4.7717 4.7744 6.3746 6.3801 8.2739 8.2760 10.2371 10.2387 10.3865 10.3873 k =-0.0973 0.1065 0.1442 ( 7745 PWs) bands (ev): -37.8809 -37.8809 -14.3846 -14.3846 -12.1744 -12.1731 -12.1049 -12.1025 -11.7666 -11.7637 -1.0660 -1.0647 -0.6569 -0.6531 0.2228 0.2253 0.5886 0.5912 1.0208 1.0240 1.1015 1.1065 2.6292 2.6345 2.9247 2.9271 3.0699 3.0718 3.8979 3.9040 4.3857 4.3895 4.7882 4.7907 6.3131 6.3185 8.2453 8.2472 10.2630 10.2646 10.3952 10.3961 k =-0.0903 0.0989 0.1339 ( 7741 PWs) bands (ev): -37.8809 -37.8809 -14.3992 -14.3992 -12.1612 -12.1600 -12.1007 -12.0986 -11.7611 -11.7585 -1.0591 -1.0578 -0.6150 -0.6111 0.2189 0.2213 0.5830 0.5857 1.0095 1.0116 1.0526 1.0552 2.6111 2.6159 2.9350 2.9372 3.0478 3.0496 3.9356 3.9414 4.4025 4.4060 4.8040 4.8063 6.2507 6.2560 8.2172 8.2191 10.2878 10.2893 10.4035 10.4043 k =-0.0834 0.0913 0.1236 ( 7737 PWs) bands (ev): -37.8809 -37.8809 -14.4128 -14.4128 -12.1488 -12.1477 -12.0969 -12.0949 -11.7561 -11.7536 -1.0523 -1.0511 -0.5713 -0.5674 0.2169 0.2192 0.5755 0.5784 0.9649 0.9704 1.0332 1.0366 2.5954 2.5998 2.9393 2.9412 3.0259 3.0276 3.9803 3.9859 4.4184 4.4216 4.8190 4.8212 6.1876 6.1927 8.1900 8.1917 10.3112 10.3127 10.4112 10.4120 k =-0.0764 0.0837 0.1133 ( 7731 PWs) bands (ev): -37.8809 -37.8809 -14.4254 -14.4254 -12.1373 -12.1363 -12.0933 -12.0915 -11.7514 -11.7492 -1.0457 -1.0446 -0.5261 -0.5221 0.2165 0.2188 0.5658 0.5689 0.9084 0.9140 1.0287 1.0317 2.5822 2.5863 2.9384 2.9402 3.0045 3.0060 4.0308 4.0360 4.4333 4.4362 4.8332 4.8352 6.1242 6.1292 8.1639 8.1656 10.3333 10.3346 10.4184 10.4192 k =-0.0695 0.0760 0.1030 ( 7739 PWs) bands (ev): -37.8809 -37.8809 -14.4370 -14.4370 -12.1266 -12.1257 -12.0899 -12.0883 -11.7471 -11.7451 -1.0394 -1.0384 -0.4796 -0.4754 0.2179 0.2201 0.5532 0.5564 0.8516 0.8569 1.0263 1.0288 2.5716 2.5753 2.9335 2.9353 2.9836 2.9851 4.0855 4.0905 4.4472 4.4498 4.8464 4.8482 6.0609 6.0657 8.1393 8.1407 10.3539 10.3551 10.4251 10.4258 k =-0.0625 0.0684 0.0927 ( 7735 PWs) bands (ev): -37.8809 -37.8809 -14.4475 -14.4475 -12.1169 -12.1161 -12.0869 -12.0855 -11.7432 -11.7414 -1.0333 -1.0324 -0.4319 -0.4277 0.2210 0.2231 0.5369 0.5404 0.7971 0.8018 1.0246 1.0265 2.5634 2.5668 2.9259 2.9276 2.9636 2.9650 4.1430 4.1476 4.4601 4.4624 4.8586 4.8602 5.9982 6.0028 8.1162 8.1176 10.3728 10.3740 10.4312 10.4318 k =-0.0556 0.0608 0.0824 ( 7733 PWs) bands (ev): -37.8809 -37.8809 -14.4570 -14.4570 -12.1081 -12.1074 -12.0841 -12.0829 -11.7397 -11.7381 -1.0276 -1.0268 -0.3833 -0.3791 0.2255 0.2275 0.5161 0.5198 0.7465 0.7505 1.0231 1.0246 2.5575 2.5606 2.9164 2.9180 2.9446 2.9460 4.2018 4.2061 4.4718 4.4738 4.8697 4.8711 5.9367 5.9411 8.0950 8.0962 10.3901 10.3911 10.4367 10.4373 k =-0.0486 0.0532 0.0721 ( 7735 PWs) bands (ev): -37.8809 -37.8809 -14.4654 -14.4654 -12.1004 -12.0997 -12.0816 -12.0806 -11.7366 -11.7352 -1.0223 -1.0216 -0.3342 -0.3299 0.2313 0.2332 0.4899 0.4938 0.7014 0.7046 1.0218 1.0230 2.5536 2.5564 2.9059 2.9076 2.9269 2.9283 4.2603 4.2642 4.4823 4.4840 4.8796 4.8809 5.8772 5.8813 8.0758 8.0769 10.4056 10.4065 10.4416 10.4421 k =-0.0417 0.0456 0.0618 ( 7743 PWs) bands (ev): -37.8809 -37.8809 -14.4727 -14.4727 -12.0937 -12.0931 -12.0793 -12.0785 -11.7339 -11.7327 -1.0176 -1.0169 -0.2850 -0.2807 0.2380 0.2398 0.4577 0.4618 0.6631 0.6655 1.0208 1.0217 2.5513 2.5538 2.8954 2.8971 2.9109 2.9123 4.3170 4.3204 4.4916 4.4930 4.8883 4.8894 5.8207 5.8245 8.0588 8.0597 10.4191 10.4199 10.4459 10.4463 k =-0.0347 0.0380 0.0515 ( 7747 PWs) bands (ev): -37.8809 -37.8809 -14.4789 -14.4789 -12.0881 -12.0876 -12.0773 -12.0767 -11.7316 -11.7306 -1.0134 -1.0129 -0.2363 -0.2321 0.2454 0.2470 0.4203 0.4246 0.6319 0.6337 1.0201 1.0207 2.5503 2.5525 2.8852 2.8870 2.8967 2.8981 4.3701 4.3731 4.4997 4.5007 4.8958 4.8967 5.7684 5.7718 8.0442 8.0450 10.4308 10.4314 10.4495 10.4499 k =-0.0278 0.0304 0.0412 ( 7739 PWs) bands (ev): -37.8809 -37.8809 -14.4840 -14.4840 -12.0837 -12.0832 -12.0754 -12.0750 -11.7297 -11.7289 -1.0099 -1.0095 -0.1892 -0.1852 0.2528 0.2542 0.3799 0.3842 0.6074 0.6088 1.0196 1.0200 2.5503 2.5521 2.8761 2.8778 2.8848 2.8861 4.4178 4.4201 4.5066 4.5073 4.9020 4.9027 5.7218 5.7247 8.0320 8.0327 10.4404 10.4409 10.4525 10.4528 k =-0.0208 0.0228 0.0309 ( 7741 PWs) bands (ev): -37.8809 -37.8809 -14.4879 -14.4879 -12.0804 -12.0800 -12.0737 -12.0735 -11.7282 -11.7276 -1.0071 -1.0068 -0.1454 -0.1418 0.2596 0.2608 0.3399 0.3438 0.5888 0.5899 1.0192 1.0195 2.5509 2.5523 2.8684 2.8698 2.8755 2.8766 4.4577 4.4593 4.5125 4.5129 4.9069 4.9074 5.6827 5.6850 8.0225 8.0230 10.4479 10.4484 10.4549 10.4551 k =-0.0139 0.0152 0.0206 ( 7731 PWs) bands (ev): -37.8809 -37.8809 -14.4908 -14.4908 -12.0783 -12.0780 -12.0722 -12.0722 -11.7271 -11.7267 -1.0051 -1.0049 -0.1076 -0.1047 0.2653 0.2661 0.3044 0.3077 0.5757 0.5764 1.0190 1.0192 2.5517 2.5526 2.8625 2.8636 2.8690 2.8697 4.4872 4.4879 4.5179 4.5184 4.9104 4.9108 5.6530 5.6546 8.0157 8.0160 10.4534 10.4536 10.4566 10.4568 k =-0.0069 0.0076 0.0103 ( 7713 PWs) bands (ev): -37.8809 -37.8809 -14.4925 -14.4925 -12.0771 -12.0770 -12.0712 -12.0712 -11.7264 -11.7262 -1.0038 -1.0037 -0.0806 -0.0789 0.2690 0.2694 0.2793 0.2814 0.5679 0.5683 1.0189 1.0190 2.5524 2.5529 2.8589 2.8595 2.8651 2.8655 4.5031 4.5032 4.5238 4.5244 4.9126 4.9128 5.6344 5.6353 8.0116 8.0117 10.4566 10.4567 10.4578 10.4579 k = 0.0000 0.0000 0.0000 ( 7697 PWs) bands (ev): -37.8809 -37.8809 -14.4930 -14.4930 -12.0767 -12.0767 -12.0708 -12.0708 -11.7261 -11.7261 -1.0034 -1.0034 -0.0700 -0.0700 0.2695 0.2695 0.2717 0.2717 0.5654 0.5654 1.0189 1.0189 2.5528 2.5528 2.8579 2.8579 2.8640 2.8640 4.5072 4.5072 4.5274 4.5274 4.9134 4.9134 5.6284 5.6284 8.0103 8.0103 10.4576 10.4576 10.4583 10.4583 k = 0.0000 0.0000 0.0000 ( 7697 PWs) bands (ev): -37.8809 -37.8809 -14.4930 -14.4930 -12.0767 -12.0767 -12.0708 -12.0708 -11.7261 -11.7261 -1.0034 -1.0034 -0.0700 -0.0700 0.2695 0.2695 0.2717 0.2717 0.5654 0.5654 1.0189 1.0189 2.5528 2.5528 2.8579 2.8579 2.8640 2.8640 4.5072 4.5072 4.5274 4.5274 4.9134 4.9134 5.6284 5.6284 8.0103 8.0103 10.4576 10.4576 10.4583 10.4583 k = 0.0106 0.0097-0.0000 ( 7733 PWs) bands (ev): -37.8809 -37.8809 -14.4924 -14.4924 -12.0768 -12.0768 -12.0710 -12.0710 -11.7269 -11.7269 -1.0033 -1.0033 -0.0781 -0.0781 0.2704 0.2704 0.2727 0.2727 0.5718 0.5718 1.0223 1.0223 2.5521 2.5521 2.8587 2.8587 2.8648 2.8648 4.5063 4.5063 4.5264 4.5264 4.9061 4.9061 5.6343 5.6343 8.0116 8.0116 10.4564 10.4564 10.4572 10.4572 k = 0.0213 0.0194-0.0000 ( 7733 PWs) bands (ev): -37.8809 -37.8809 -14.4906 -14.4906 -12.0772 -12.0772 -12.0714 -12.0714 -11.7294 -11.7294 -1.0031 -1.0031 -0.1012 -0.1012 0.2733 0.2733 0.2755 0.2755 0.5898 0.5898 1.0326 1.0326 2.5501 2.5501 2.8611 2.8611 2.8672 2.8672 4.5034 4.5034 4.5235 4.5235 4.8851 4.8851 5.6516 5.6516 8.0155 8.0155 10.4530 10.4530 10.4537 10.4537 k = 0.0319 0.0292-0.0000 ( 7741 PWs) bands (ev): -37.8809 -37.8809 -14.4875 -14.4875 -12.0779 -12.0779 -12.0721 -12.0720 -11.7336 -11.7336 -1.0027 -1.0027 -0.1366 -0.1366 0.2780 0.2781 0.2803 0.2803 0.6161 0.6161 1.0501 1.0501 2.5469 2.5469 2.8651 2.8651 2.8712 2.8712 4.4985 4.4985 4.5186 4.5186 4.8522 4.8522 5.6784 5.6784 8.0221 8.0221 10.4472 10.4472 10.4480 10.4480 k = 0.0426 0.0389-0.0000 ( 7757 PWs) bands (ev): -37.8809 -37.8809 -14.4832 -14.4832 -12.0788 -12.0788 -12.0730 -12.0730 -11.7394 -11.7394 -1.0022 -1.0022 -0.1811 -0.1811 0.2847 0.2847 0.2869 0.2869 0.6472 0.6472 1.0753 1.0753 2.5424 2.5424 2.8706 2.8706 2.8767 2.8767 4.4917 4.4917 4.5118 4.5118 4.8094 4.8094 5.7124 5.7124 8.0312 8.0312 10.4392 10.4392 10.4400 10.4400 k = 0.0532 0.0486-0.0000 ( 7753 PWs) bands (ev): -37.8809 -37.8809 -14.4777 -14.4777 -12.0800 -12.0800 -12.0742 -12.0742 -11.7469 -11.7469 -1.0017 -1.0017 -0.2318 -0.2318 0.2933 0.2933 0.2955 0.2955 0.6798 0.6798 1.1086 1.1086 2.5368 2.5368 2.8777 2.8777 2.8838 2.8838 4.4831 4.4831 4.5031 4.5031 4.7591 4.7591 5.7516 5.7516 8.0426 8.0426 10.4290 10.4290 10.4297 10.4297 k = 0.0638 0.0583-0.0000 ( 7745 PWs) bands (ev): -37.8809 -37.8809 -14.4709 -14.4709 -12.0814 -12.0814 -12.0756 -12.0756 -11.7560 -11.7560 -1.0011 -1.0011 -0.2866 -0.2866 0.3037 0.3037 0.3058 0.3058 0.7117 0.7117 1.1499 1.1499 2.5303 2.5303 2.8863 2.8863 2.8924 2.8924 4.4725 4.4725 4.4925 4.4925 4.7028 4.7028 5.7944 5.7944 8.0564 8.0564 10.4166 10.4166 10.4172 10.4173 k = 0.0745 0.0680-0.0000 ( 7745 PWs) bands (ev): -37.8809 -37.8809 -14.4630 -14.4630 -12.0831 -12.0831 -12.0773 -12.0773 -11.7668 -11.7668 -1.0005 -1.0005 -0.3438 -0.3438 0.3160 0.3160 0.3181 0.3181 0.7415 0.7415 1.1988 1.1988 2.5229 2.5229 2.8963 2.8963 2.9024 2.9025 4.4601 4.4602 4.4801 4.4801 4.6420 4.6420 5.8394 5.8394 8.0722 8.0722 10.4019 10.4020 10.4026 10.4026 k = 0.0851 0.0778-0.0000 ( 7753 PWs) bands (ev): -37.8809 -37.8809 -14.4538 -14.4538 -12.0850 -12.0850 -12.0792 -12.0792 -11.7791 -11.7791 -1.0000 -1.0000 -0.4023 -0.4023 0.3301 0.3301 0.3321 0.3321 0.7690 0.7690 1.2546 1.2546 2.5149 2.5149 2.9077 2.9078 2.9139 2.9139 4.4459 4.4459 4.4660 4.4660 4.5776 4.5776 5.8857 5.8857 8.0900 8.0900 10.3852 10.3852 10.3859 10.3859 k = 0.0957 0.0875-0.0000 ( 7753 PWs) bands (ev): -37.8809 -37.8809 -14.4435 -14.4435 -12.0872 -12.0872 -12.0813 -12.0813 -11.7930 -11.7930 -0.9998 -0.9998 -0.4611 -0.4611 0.3460 0.3460 0.3480 0.3480 0.7941 0.7941 1.3162 1.3162 2.5065 2.5065 2.9205 2.9206 2.9266 2.9267 4.4297 4.4297 4.4501 4.4501 4.5107 4.5108 5.9325 5.9325 8.1096 8.1096 10.3664 10.3665 10.3670 10.3671 k = 0.1064 0.0972-0.0000 ( 7753 PWs) bands (ev): -37.8809 -37.8809 -14.4320 -14.4320 -12.0895 -12.0895 -12.0837 -12.0837 -11.8085 -11.8085 -1.0001 -1.0001 -0.5193 -0.5193 0.3637 0.3637 0.3656 0.3656 0.8171 0.8172 1.3825 1.3825 2.4979 2.4979 2.9345 2.9346 2.9407 2.9408 4.4100 4.4100 4.4323 4.4324 4.4436 4.4437 5.9794 5.9794 8.1307 8.1307 10.3456 10.3457 10.3462 10.3463 k = 0.1170 0.1069-0.0000 ( 7741 PWs) bands (ev): -37.8809 -37.8809 -14.4193 -14.4193 -12.0921 -12.0921 -12.0863 -12.0863 -11.8255 -11.8255 -1.0012 -1.0012 -0.5762 -0.5762 0.3831 0.3832 0.3850 0.3850 0.8386 0.8386 1.4523 1.4523 2.4893 2.4893 2.9497 2.9498 2.9559 2.9560 4.3644 4.3644 4.3985 4.3985 4.4136 4.4136 6.0259 6.0259 8.1530 8.1530 10.3228 10.3229 10.3235 10.3235 k = 0.1277 0.1166-0.0000 ( 7733 PWs) bands (ev): -37.8809 -37.8809 -14.4054 -14.4054 -12.0949 -12.0949 -12.0890 -12.0890 -11.8439 -11.8439 -1.0039 -1.0039 -0.6307 -0.6307 0.4043 0.4043 0.4061 0.4061 0.8588 0.8588 1.5248 1.5248 2.4811 2.4811 2.9660 2.9661 2.9723 2.9724 4.2937 4.2937 4.3760 4.3760 4.3931 4.3931 6.0718 6.0718 8.1764 8.1764 10.2982 10.2983 10.2989 10.2989 k = 0.1383 0.1264-0.0000 ( 7749 PWs) bands (ev): -37.8809 -37.8809 -14.3904 -14.3904 -12.0978 -12.0978 -12.0920 -12.0920 -11.8638 -11.8638 -1.0089 -1.0089 -0.6818 -0.6818 0.4271 0.4271 0.4288 0.4289 0.8779 0.8779 1.5992 1.5992 2.4735 2.4735 2.9832 2.9833 2.9895 2.9896 4.2201 4.2201 4.3538 4.3538 4.3712 4.3712 6.1169 6.1169 8.2006 8.2006 10.2718 10.2719 10.2725 10.2726 k = 0.1489 0.1361-0.0000 ( 7737 PWs) bands (ev): -37.8809 -37.8809 -14.3743 -14.3743 -12.1009 -12.1009 -12.0951 -12.0951 -11.8852 -11.8851 -1.0176 -1.0176 -0.7278 -0.7278 0.4516 0.4516 0.4532 0.4532 0.8962 0.8962 1.6747 1.6747 2.4668 2.4668 3.0013 3.0014 3.0077 3.0078 4.1454 4.1454 4.3308 4.3308 4.3481 4.3481 6.1610 6.1610 8.2254 8.2254 10.2437 10.2438 10.2444 10.2445 k = 0.1596 0.1458-0.0000 ( 7737 PWs) bands (ev): -37.8809 -37.8809 -14.3571 -14.3571 -12.1042 -12.1042 -12.0983 -12.0983 -11.9078 -11.9078 -1.0316 -1.0316 -0.7670 -0.7670 0.4776 0.4777 0.4792 0.4792 0.9137 0.9137 1.7507 1.7507 2.4614 2.4614 3.0200 3.0201 3.0264 3.0265 4.0699 4.0699 4.3068 4.3068 4.3239 4.3240 6.2040 6.2040 8.2504 8.2504 10.2140 10.2141 10.2147 10.2148 k = 0.1702 0.1555-0.0000 ( 7717 PWs) bands (ev): -37.8809 -37.8809 -14.3387 -14.3387 -12.1076 -12.1076 -12.1017 -12.1017 -11.9319 -11.9319 -1.0527 -1.0527 -0.7975 -0.7975 0.5052 0.5053 0.5067 0.5067 0.9304 0.9304 1.8264 1.8265 2.4578 2.4578 3.0392 3.0393 3.0457 3.0458 3.9939 3.9939 4.2820 4.2820 4.2989 4.2989 6.2459 6.2459 8.2755 8.2755 10.1828 10.1829 10.1836 10.1837 k = 0.1809 0.1652-0.0000 ( 7725 PWs) bands (ev): -37.8808 -37.8808 -14.3193 -14.3193 -12.1111 -12.1111 -12.1053 -12.1052 -11.9572 -11.9571 -1.0813 -1.0813 -0.8187 -0.8187 0.5343 0.5343 0.5357 0.5357 0.9465 0.9465 1.9012 1.9012 2.4566 2.4566 3.0586 3.0587 3.0653 3.0654 3.9177 3.9177 4.2565 4.2565 4.2731 4.2732 6.2865 6.2865 8.3004 8.3004 10.1502 10.1503 10.1510 10.1511 k = 0.1915 0.1750-0.0000 ( 7733 PWs) bands (ev): -37.8808 -37.8808 -14.2989 -14.2989 -12.1148 -12.1148 -12.1089 -12.1089 -11.9837 -11.9837 -1.1164 -1.1164 -0.8315 -0.8315 0.5648 0.5649 0.5661 0.5661 0.9619 0.9619 1.9740 1.9740 2.4583 2.4583 3.0781 3.0782 3.0849 3.0851 3.8416 3.8416 4.2306 4.2306 4.2469 4.2469 6.3258 6.3258 8.3247 8.3247 10.1163 10.1164 10.1172 10.1173 k = 0.2021 0.1847-0.0000 ( 7733 PWs) bands (ev): -37.8808 -37.8808 -14.2774 -14.2774 -12.1185 -12.1185 -12.1126 -12.1126 -12.0114 -12.0114 -1.1564 -1.1564 -0.8375 -0.8375 0.5967 0.5968 0.5979 0.5979 0.9766 0.9766 2.0438 2.0438 2.4641 2.4641 3.0973 3.0974 3.1044 3.1045 3.7657 3.7657 4.2045 4.2045 4.2204 4.2204 6.3638 6.3638 8.3484 8.3484 10.0812 10.0813 10.0822 10.0823 k = 0.2128 0.1944-0.0000 ( 7733 PWs) bands (ev): -37.8808 -37.8808 -14.2550 -14.2550 -12.1223 -12.1223 -12.1164 -12.1164 -12.0402 -12.0401 -1.1991 -1.1991 -0.8387 -0.8387 0.6299 0.6300 0.6310 0.6310 0.9906 0.9906 2.1088 2.1088 2.4752 2.4752 3.1159 3.1161 3.1233 3.1234 3.6904 3.6904 4.1784 4.1785 4.1940 4.1941 6.4005 6.4005 8.3712 8.3712 10.0451 10.0452 10.0462 10.0463 k = 0.2234 0.2041-0.0000 ( 7745 PWs) bands (ev): -37.8808 -37.8808 -14.2316 -14.2316 -12.1263 -12.1262 -12.1202 -12.1202 -12.0700 -12.0700 -1.2433 -1.2433 -0.8365 -0.8365 0.6643 0.6644 0.6653 0.6654 1.0038 1.0038 2.1672 2.1672 2.4932 2.4932 3.1337 3.1338 3.1413 3.1415 3.6158 3.6158 4.1528 4.1529 4.1680 4.1681 6.4359 6.4359 8.3928 8.3928 10.0081 10.0082 10.0093 10.0094 k = 0.2340 0.2138-0.0000 ( 7749 PWs) bands (ev): -37.8808 -37.8808 -14.2072 -14.2072 -12.1304 -12.1303 -12.1241 -12.1241 -12.1006 -12.1006 -1.2878 -1.2878 -0.8318 -0.8318 0.6999 0.7000 0.7008 0.7009 1.0164 1.0164 2.2171 2.2171 2.5197 2.5197 3.1501 3.1502 3.1581 3.1582 3.5425 3.5425 4.1280 4.1281 4.1428 4.1428 6.4701 6.4701 8.4132 8.4132 9.9703 9.9704 9.9716 9.9717 k = 0.2447 0.2236-0.0000 ( 7745 PWs) bands (ev): -37.8808 -37.8808 -14.1820 -14.1820 -12.1372 -12.1371 -12.1297 -12.1296 -12.1280 -12.1280 -1.3321 -1.3321 -0.8252 -0.8252 0.7366 0.7367 0.7374 0.7375 1.0282 1.0282 2.2573 2.2573 2.5553 2.5553 3.1648 3.1649 3.1732 3.1733 3.4709 3.4709 4.1045 4.1045 4.1188 4.1188 6.5030 6.5030 8.4321 8.4321 9.9319 9.9320 9.9333 9.9333 k = 0.2553 0.2333-0.0000 ( 7769 PWs) bands (ev): -37.8808 -37.8808 -14.1559 -14.1559 -12.1662 -12.1661 -12.1372 -12.1372 -12.1319 -12.1319 -1.3757 -1.3757 -0.8173 -0.8173 0.7743 0.7744 0.7750 0.7751 1.0394 1.0395 2.2884 2.2884 2.5985 2.5985 3.1772 3.1773 3.1861 3.1862 3.4018 3.4018 4.0825 4.0826 4.0964 4.0965 6.5347 6.5347 8.4493 8.4493 9.8930 9.8931 9.8945 9.8945 k = 0.2660 0.2430-0.0000 ( 7769 PWs) bands (ev): -37.8808 -37.8808 -14.1290 -14.1290 -12.1994 -12.1994 -12.1413 -12.1413 -12.1358 -12.1358 -1.4183 -1.4183 -0.8083 -0.8083 0.8128 0.8130 0.8136 0.8137 1.0501 1.0501 2.3123 2.3123 2.6463 2.6463 3.1869 3.1870 3.1963 3.1965 3.3361 3.3361 4.0628 4.0628 4.0762 4.0762 6.5652 6.5652 8.4649 8.4649 9.8538 9.8539 9.8553 9.8554 k = 0.2766 0.2527-0.0000 ( 7769 PWs) bands (ev): -37.8808 -37.8808 -14.1013 -14.1013 -12.2335 -12.2335 -12.1453 -12.1452 -12.1397 -12.1397 -1.4596 -1.4596 -0.7985 -0.7985 0.8522 0.8524 0.8529 0.8531 1.0602 1.0602 2.3313 2.3313 2.6947 2.6947 3.1933 3.1934 3.2033 3.2035 3.2758 3.2758 4.0456 4.0456 4.0585 4.0586 6.5946 6.5946 8.4786 8.4786 9.8145 9.8146 9.8161 9.8161 k = 0.2872 0.2624-0.0000 ( 7749 PWs) bands (ev): -37.8808 -37.8808 -14.0729 -14.0729 -12.2683 -12.2683 -12.1491 -12.1491 -12.1435 -12.1435 -1.4995 -1.4995 -0.7880 -0.7880 0.8923 0.8924 0.8931 0.8932 1.0700 1.0700 2.3469 2.3469 2.7389 2.7389 3.1954 3.1956 3.2060 3.2062 3.2248 3.2249 4.0314 4.0315 4.0439 4.0439 6.6229 6.6229 8.4904 8.4904 9.7752 9.7753 9.7768 9.7769 k = 0.2979 0.2722-0.0000 ( 7753 PWs) bands (ev): -37.8807 -37.8807 -14.0439 -14.0439 -12.3036 -12.3036 -12.1529 -12.1529 -12.1472 -12.1472 -1.5378 -1.5378 -0.7770 -0.7770 0.9329 0.9330 0.9338 0.9339 1.0795 1.0795 2.3604 2.3604 2.7729 2.7730 3.1800 3.1801 3.1972 3.1973 3.2078 3.2079 4.0205 4.0206 4.0326 4.0327 6.6501 6.6501 8.5004 8.5004 9.7360 9.7361 9.7377 9.7378 k = 0.3085 0.2819-0.0000 ( 7761 PWs) bands (ev): -37.8807 -37.8807 -14.0143 -14.0143 -12.3394 -12.3394 -12.1565 -12.1565 -12.1509 -12.1509 -1.5746 -1.5746 -0.7657 -0.7657 0.9740 0.9741 0.9750 0.9751 1.0888 1.0888 2.3720 2.3720 2.7900 2.7900 3.1604 3.1604 3.1912 3.1913 3.2028 3.2029 4.0133 4.0133 4.0249 4.0249 6.6763 6.6763 8.5084 8.5084 9.6973 9.6974 9.6990 9.6991 k = 0.3191 0.2916-0.0000 ( 7765 PWs) bands (ev): -37.8807 -37.8807 -13.9842 -13.9842 -12.3756 -12.3756 -12.1601 -12.1601 -12.1544 -12.1544 -1.6096 -1.6096 -0.7542 -0.7542 1.0153 1.0154 1.0165 1.0166 1.0981 1.0981 2.3820 2.3820 2.7859 2.7859 3.1620 3.1620 3.1820 3.1821 3.1941 3.1941 4.0095 4.0096 4.0207 4.0208 6.7014 6.7014 8.5146 8.5146 9.6591 9.6592 9.6608 9.6609 k = 0.3298 0.3013-0.0000 ( 7757 PWs) bands (ev): -37.8807 -37.8807 -13.9537 -13.9537 -12.4120 -12.4120 -12.1636 -12.1636 -12.1579 -12.1579 -1.6429 -1.6429 -0.7425 -0.7425 1.0566 1.0567 1.0581 1.0582 1.1077 1.1077 2.3899 2.3899 2.7635 2.7635 3.1670 3.1671 3.1784 3.1785 3.1883 3.1883 4.0093 4.0094 4.0201 4.0202 6.7256 6.7256 8.5189 8.5189 9.6216 9.6217 9.6234 9.6235 k = 0.3404 0.3110-0.0000 ( 7757 PWs) bands (ev): -37.8807 -37.8807 -13.9229 -13.9229 -12.4484 -12.4484 -12.1669 -12.1669 -12.1612 -12.1612 -1.6743 -1.6743 -0.7309 -0.7309 1.0970 1.0971 1.0998 1.0998 1.1183 1.1184 2.3949 2.3949 2.7308 2.7308 3.1505 3.1506 3.1634 3.1635 3.2205 3.2206 4.0123 4.0124 4.0227 4.0228 6.7488 6.7488 8.5216 8.5216 9.5851 9.5852 9.5869 9.5870 k = 0.3511 0.3208-0.0000 ( 7732 PWs) bands (ev): -37.8807 -37.8807 -13.8919 -13.8919 -12.4849 -12.4849 -12.1701 -12.1701 -12.1644 -12.1644 -1.7038 -1.7038 -0.7194 -0.7194 1.1235 1.1236 1.1410 1.1411 1.1430 1.1432 2.3958 2.3958 2.6951 2.6951 3.1301 3.1302 3.1435 3.1435 3.2615 3.2615 4.0180 4.0181 4.0281 4.0282 6.7709 6.7709 8.5226 8.5226 9.5497 9.5498 9.5516 9.5516 k = 0.3617 0.3305-0.0000 ( 7732 PWs) bands (ev): -37.8807 -37.8807 -13.8609 -13.8609 -12.5211 -12.5211 -12.1731 -12.1731 -12.1674 -12.1674 -1.7315 -1.7315 -0.7082 -0.7082 1.1350 1.1350 1.1817 1.1818 1.1829 1.1830 2.3909 2.3909 2.6618 2.6618 3.1070 3.1070 3.1205 3.1206 3.3052 3.3052 4.0260 4.0261 4.0358 4.0359 6.7921 6.7921 8.5222 8.5222 9.5157 9.5158 9.5175 9.5176 k = 0.3723 0.3402-0.0000 ( 7740 PWs) bands (ev): -37.8807 -37.8807 -13.8299 -13.8299 -12.5569 -12.5569 -12.1759 -12.1759 -12.1702 -12.1702 -1.7572 -1.7572 -0.6973 -0.6973 1.1456 1.1456 1.2218 1.2219 1.2231 1.2232 2.3784 2.3784 2.6350 2.6350 3.0816 3.0817 3.0954 3.0954 3.3490 3.3490 4.0359 4.0359 4.0453 4.0454 6.8122 6.8122 8.5204 8.5204 9.4832 9.4833 9.4850 9.4851 k = 0.3830 0.3499-0.0000 ( 7732 PWs) bands (ev): -37.8807 -37.8807 -13.7992 -13.7992 -12.5922 -12.5922 -12.1786 -12.1786 -12.1729 -12.1729 -1.7810 -1.7810 -0.6868 -0.6868 1.1564 1.1564 1.2611 1.2612 1.2625 1.2626 2.3576 2.3576 2.6165 2.6165 3.0548 3.0548 3.0686 3.0686 3.3918 3.3918 4.0469 4.0470 4.0561 4.0561 6.8313 6.8313 8.5176 8.5176 9.4524 9.4525 9.4542 9.4543 k = 0.3936 0.3596-0.0000 ( 7740 PWs) bands (ev): -37.8807 -37.8807 -13.7690 -13.7690 -12.6266 -12.6266 -12.1811 -12.1811 -12.1754 -12.1754 -1.8027 -1.8027 -0.6769 -0.6769 1.1674 1.1674 1.2991 1.2992 1.3007 1.3007 2.3297 2.3297 2.6061 2.6061 3.0270 3.0270 3.0409 3.0409 3.4324 3.4324 4.0588 4.0588 4.0676 4.0677 6.8492 6.8492 8.5139 8.5139 9.4235 9.4236 9.4253 9.4254 k = 0.4043 0.3694-0.0000 ( 7732 PWs) bands (ev): -37.8807 -37.8807 -13.7396 -13.7396 -12.6599 -12.6599 -12.1833 -12.1833 -12.1777 -12.1777 -1.8225 -1.8225 -0.6676 -0.6676 1.1786 1.1786 1.3356 1.3356 1.3372 1.3373 2.2972 2.2972 2.6019 2.6019 2.9990 2.9990 3.0130 3.0130 3.4703 3.4703 4.0709 4.0709 4.0795 4.0795 6.8658 6.8658 8.5095 8.5095 9.3968 9.3968 9.3985 9.3986 k = 0.4149 0.3791-0.0000 ( 7732 PWs) bands (ev): -37.8807 -37.8807 -13.7113 -13.7113 -12.6918 -12.6918 -12.1854 -12.1854 -12.1797 -12.1797 -1.8402 -1.8402 -0.6591 -0.6591 1.1899 1.1899 1.3701 1.3701 1.3718 1.3719 2.2627 2.2627 2.6017 2.6017 2.9715 2.9715 2.9855 2.9855 3.5051 3.5051 4.0828 4.0829 4.0912 4.0912 6.8811 6.8811 8.5047 8.5047 9.3723 9.3723 9.3740 9.3740 k = 0.4255 0.3888-0.0000 ( 7736 PWs) bands (ev): -37.8806 -37.8806 -13.6844 -13.6844 -12.7218 -12.7218 -12.1872 -12.1872 -12.1816 -12.1816 -1.8559 -1.8559 -0.6513 -0.6513 1.2010 1.2010 1.4021 1.4022 1.4040 1.4040 2.2284 2.2284 2.6039 2.6039 2.9451 2.9451 2.9591 2.9591 3.5364 3.5364 4.0942 4.0943 4.1024 4.1024 6.8950 6.8950 8.4998 8.4998 9.3502 9.3503 9.3519 9.3519 k = 0.4362 0.3985-0.0000 ( 7736 PWs) bands (ev): -37.8806 -37.8806 -13.6594 -13.6594 -12.7496 -12.7496 -12.1889 -12.1888 -12.1832 -12.1832 -1.8695 -1.8695 -0.6444 -0.6444 1.2117 1.2118 1.4313 1.4314 1.4333 1.4333 2.1958 2.1958 2.6072 2.6072 2.9204 2.9204 2.9344 2.9344 3.5640 3.5640 4.1048 4.1048 4.1127 4.1128 6.9073 6.9073 8.4948 8.4948 9.3308 9.3308 9.3324 9.3325 k = 0.4468 0.4082-0.0000 ( 7748 PWs) bands (ev): -37.8806 -37.8806 -13.6368 -13.6368 -12.7746 -12.7746 -12.1902 -12.1902 -12.1845 -12.1845 -1.8810 -1.8810 -0.6385 -0.6385 1.2218 1.2218 1.4572 1.4572 1.4592 1.4592 2.1663 2.1663 2.6109 2.6109 2.8981 2.8981 2.9122 2.9122 3.5877 3.5877 4.1142 4.1142 4.1220 4.1220 6.9180 6.9180 8.4902 8.4902 9.3141 9.3141 9.3157 9.3157 k = 0.4574 0.4179-0.0000 ( 7732 PWs) bands (ev): -37.8806 -37.8806 -13.6171 -13.6171 -12.7962 -12.7962 -12.1914 -12.1914 -12.1857 -12.1857 -1.8904 -1.8904 -0.6336 -0.6336 1.2307 1.2307 1.4792 1.4792 1.4813 1.4813 2.1407 2.1407 2.6144 2.6144 2.8789 2.8789 2.8929 2.8929 3.6072 3.6072 4.1222 4.1222 4.1299 4.1299 6.9269 6.9269 8.4861 8.4861 9.3002 9.3003 9.3018 9.3018 k = 0.4681 0.4277-0.0000 ( 7724 PWs) bands (ev): -37.8806 -37.8806 -13.6010 -13.6010 -12.8139 -12.8139 -12.1922 -12.1922 -12.1866 -12.1866 -1.8978 -1.8978 -0.6297 -0.6297 1.2382 1.2382 1.4969 1.4969 1.4991 1.4991 2.1199 2.1199 2.6175 2.6175 2.8632 2.8632 2.8772 2.8772 3.6226 3.6226 4.1286 4.1287 4.1362 4.1362 6.9340 6.9340 8.4827 8.4827 9.2894 9.2894 9.2909 9.2909 k = 0.4787 0.4374-0.0000 ( 7724 PWs) bands (ev): -37.8806 -37.8806 -13.5889 -13.5889 -12.8270 -12.8270 -12.1929 -12.1929 -12.1872 -12.1872 -1.9031 -1.9031 -0.6269 -0.6269 1.2438 1.2438 1.5099 1.5099 1.5121 1.5121 2.1046 2.1046 2.6198 2.6198 2.8516 2.8516 2.8657 2.8657 3.6336 3.6336 4.1334 4.1334 4.1408 4.1408 6.9391 6.9391 8.4802 8.4802 9.2815 9.2815 9.2830 9.2830 k = 0.4894 0.4471-0.0000 ( 7724 PWs) bands (ev): -37.8806 -37.8806 -13.5815 -13.5815 -12.8351 -12.8351 -12.1933 -12.1933 -12.1876 -12.1876 -1.9062 -1.9062 -0.6252 -0.6252 1.2474 1.2474 1.5178 1.5178 1.5201 1.5201 2.0952 2.0952 2.6212 2.6212 2.8445 2.8445 2.8585 2.8585 3.6402 3.6402 4.1362 4.1362 4.1436 4.1437 6.9422 6.9422 8.4786 8.4786 9.2768 9.2768 9.2783 9.2783 k = 0.5000 0.4568-0.0000 ( 7720 PWs) bands (ev): -37.8806 -37.8806 -13.5789 -13.5789 -12.8378 -12.8378 -12.1934 -12.1934 -12.1877 -12.1877 -1.9073 -1.9073 -0.6246 -0.6246 1.2486 1.2486 1.5205 1.5205 1.5227 1.5227 2.0920 2.0920 2.6217 2.6217 2.8421 2.8421 2.8561 2.8561 3.6424 3.6424 4.1372 4.1372 4.1446 4.1446 6.9432 6.9432 8.4781 8.4781 9.2752 9.2752 9.2767 9.2767 k = 0.5000 0.4568-0.0000 ( 7720 PWs) bands (ev): -37.8806 -37.8806 -13.5789 -13.5789 -12.8378 -12.8378 -12.1934 -12.1934 -12.1877 -12.1877 -1.9073 -1.9073 -0.6246 -0.6246 1.2486 1.2486 1.5205 1.5205 1.5227 1.5227 2.0920 2.0920 2.6217 2.6217 2.8421 2.8421 2.8561 2.8561 3.6424 3.6424 4.1372 4.1372 4.1446 4.1446 6.9432 6.9432 8.4781 8.4781 9.2752 9.2752 9.2767 9.2767 k = 0.4931 0.4644 0.0103 ( 7716 PWs) bands (ev): -37.8806 -37.8806 -13.5789 -13.5789 -12.8379 -12.8376 -12.1936 -12.1933 -12.1878 -12.1877 -1.9064 -1.9063 -0.6243 -0.6242 1.2409 1.2425 1.5198 1.5203 1.5238 1.5266 2.0875 2.0898 2.6182 2.6192 2.8462 2.8468 2.8606 2.8616 3.6420 3.6427 4.1371 4.1378 4.1447 4.1452 6.9436 6.9439 8.4768 8.4769 9.2759 9.2763 9.2783 9.2785 k = 0.4861 0.4720 0.0206 ( 7720 PWs) bands (ev): -37.8806 -37.8806 -13.5788 -13.5788 -12.8377 -12.8371 -12.1942 -12.1935 -12.1878 -12.1877 -1.9037 -1.9036 -0.6232 -0.6230 1.2211 1.2240 1.5159 1.5163 1.5308 1.5365 2.0767 2.0813 2.6100 2.6119 2.8554 2.8567 2.8772 2.8789 3.6412 3.6426 4.1373 4.1386 4.1460 4.1466 6.9451 6.9456 8.4731 8.4733 9.2770 9.2777 9.2844 9.2846 k = 0.4792 0.4796 0.0308 ( 7722 PWs) bands (ev): -37.8806 -37.8806 -13.5787 -13.5787 -12.8372 -12.8363 -12.1954 -12.1945 -12.1875 -12.1871 -1.8992 -1.8991 -0.6213 -0.6211 1.1924 1.1959 1.5090 1.5095 1.5401 1.5480 2.0609 2.0674 2.5996 2.6022 2.8671 2.8690 2.9054 2.9075 3.6401 3.6422 4.1371 4.1388 4.1492 4.1495 6.9475 6.9483 8.4671 8.4675 9.2787 9.2796 9.2947 9.2950 k = 0.4723 0.4872 0.0411 ( 7726 PWs) bands (ev): -37.8806 -37.8806 -13.5785 -13.5785 -12.8366 -12.8354 -12.1974 -12.1963 -12.1865 -12.1858 -1.8930 -1.8928 -0.6187 -0.6184 1.1575 1.1614 1.4993 1.5000 1.5480 1.5575 2.0416 2.0498 2.5896 2.5927 2.8813 2.8839 2.9415 2.9438 3.6386 3.6414 4.1363 4.1385 4.1542 4.1544 6.9510 6.9521 8.4592 8.4596 9.2811 9.2823 9.3088 9.3091 k = 0.4653 0.4948 0.0514 ( 7730 PWs) bands (ev): -37.8806 -37.8806 -13.5783 -13.5783 -12.8357 -12.8342 -12.2003 -12.1989 -12.1849 -12.1839 -1.8851 -1.8848 -0.6153 -0.6149 1.1188 1.1227 1.4869 1.4878 1.5517 1.5624 2.0207 2.0301 2.5817 2.5852 2.8979 2.9008 2.9830 2.9853 3.6366 3.6400 4.1352 4.1379 4.1606 4.1612 6.9555 6.9569 8.4496 8.4502 9.2841 9.2856 9.3263 9.3267 k = 0.4584 0.5024 0.0617 ( 7746 PWs) bands (ev): -37.8806 -37.8806 -13.5782 -13.5782 -12.8345 -12.8327 -12.2038 -12.2022 -12.1827 -12.1815 -1.8756 -1.8753 -0.6113 -0.6108 1.0777 1.0816 1.4719 1.4729 1.5493 1.5606 1.9993 2.0094 2.5775 2.5811 2.9161 2.9193 3.0280 3.0303 3.6340 3.6380 4.1340 4.1372 4.1685 4.1694 6.9610 6.9627 8.4387 8.4394 9.2879 9.2897 9.3470 9.3474 k = 0.4514 0.5100 0.0720 ( 7746 PWs) bands (ev): -37.8806 -37.8806 -13.5781 -13.5781 -12.8331 -12.8310 -12.2079 -12.2061 -12.1800 -12.1786 -1.8645 -1.8642 -0.6066 -0.6061 1.0353 1.0391 1.4542 1.4555 1.5399 1.5515 1.9784 1.9885 2.5777 2.5814 2.9353 2.9388 3.0753 3.0774 3.6307 3.6352 4.1329 4.1367 4.1777 4.1789 6.9674 6.9694 8.4270 8.4277 9.2923 9.2944 9.3703 9.3707 k = 0.4445 0.5176 0.0823 ( 7752 PWs) bands (ev): -37.8806 -37.8806 -13.5782 -13.5782 -12.8315 -12.8291 -12.2124 -12.2104 -12.1769 -12.1752 -1.8521 -1.8517 -0.6014 -0.6008 0.9925 0.9962 1.4339 1.4354 1.5238 1.5351 1.9578 1.9675 2.5830 2.5865 2.9552 2.9588 3.1239 3.1258 3.6266 3.6316 4.1322 4.1365 4.1881 4.1895 6.9748 6.9771 8.4146 8.4155 9.2974 9.2998 9.3959 9.3964 k = 0.4376 0.5252 0.0925 ( 7752 PWs) bands (ev): -37.8806 -37.8806 -13.5785 -13.5784 -12.8295 -12.8269 -12.2173 -12.2151 -12.1733 -12.1714 -1.8383 -1.8379 -0.5957 -0.5950 0.9498 0.9533 1.4109 1.4128 1.5017 1.5124 1.9372 1.9460 2.5935 2.5969 2.9751 2.9789 3.1730 3.1745 3.6217 3.6272 4.1320 4.1368 4.1994 4.2010 6.9831 6.9857 8.4021 8.4032 9.3031 9.3058 9.4234 9.4240 k = 0.4306 0.5327 0.1028 ( 7766 PWs) bands (ev): -37.8806 -37.8806 -13.5790 -13.5790 -12.8273 -12.8245 -12.2225 -12.2201 -12.1693 -12.1671 -1.8234 -1.8229 -0.5896 -0.5888 0.9078 0.9111 1.3853 1.3876 1.4750 1.4849 1.9159 1.9235 2.6092 2.6124 2.9948 2.9986 3.2217 3.2228 3.6162 3.6219 4.1325 4.1377 4.2115 4.2133 6.9923 6.9951 8.3898 8.3910 9.3095 9.3124 9.4526 9.4532 k = 0.4237 0.5403 0.1131 ( 7762 PWs) bands (ev): -37.8806 -37.8806 -13.5799 -13.5799 -12.8248 -12.8217 -12.2279 -12.2253 -12.1649 -12.1624 -1.8074 -1.8068 -0.5832 -0.5823 0.8668 0.8700 1.3571 1.3598 1.4452 1.4541 1.8933 1.8997 2.6296 2.6326 3.0138 3.0176 3.2693 3.2699 3.6103 3.6161 4.1339 4.1396 4.2241 4.2261 7.0022 7.0054 8.3779 8.3792 9.3165 9.3197 9.4830 9.4837 k = 0.4168 0.5479 0.1234 ( 7758 PWs) bands (ev): -37.8806 -37.8806 -13.5812 -13.5812 -12.8220 -12.8187 -12.2334 -12.2306 -12.1600 -12.1574 -1.7905 -1.7899 -0.5767 -0.5757 0.8274 0.8304 1.3262 1.3294 1.4137 1.4216 1.8688 1.8741 2.6540 2.6569 3.0318 3.0356 3.3149 3.3151 3.6045 3.6102 4.1364 4.1424 4.2371 4.2392 7.0130 7.0164 8.3667 8.3681 9.3241 9.3275 9.5145 9.5151 k = 0.4098 0.5555 0.1337 ( 7762 PWs) bands (ev): -37.8806 -37.8806 -13.5830 -13.5830 -12.8189 -12.8153 -12.2389 -12.2359 -12.1548 -12.1519 -1.7729 -1.7722 -0.5703 -0.5692 0.7899 0.7927 1.2929 1.2967 1.3816 1.3885 1.8425 1.8467 2.6819 2.6848 3.0484 3.0523 3.3570 3.3578 3.5996 3.6048 4.1400 4.1464 4.2500 4.2524 7.0244 7.0282 8.3565 8.3581 9.3322 9.3359 9.5466 9.5473 k = 0.4029 0.5631 0.1440 ( 7758 PWs) bands (ev): -37.8806 -37.8806 -13.5854 -13.5854 -12.8154 -12.8115 -12.2442 -12.2411 -12.1492 -12.1461 -1.7547 -1.7539 -0.5640 -0.5629 0.7546 0.7573 1.2577 1.2619 1.3495 1.3556 1.8142 1.8176 2.7126 2.7155 3.0633 3.0672 3.3946 3.3962 3.5969 3.6013 4.1450 4.1517 4.2627 4.2653 7.0364 7.0405 8.3474 8.3491 9.3410 9.3449 9.5792 9.5800 k = 0.3960 0.5707 0.1542 ( 7760 PWs) bands (ev): -37.8806 -37.8806 -13.5885 -13.5885 -12.8114 -12.8074 -12.2494 -12.2461 -12.1432 -12.1399 -1.7360 -1.7351 -0.5583 -0.5570 0.7220 0.7245 1.2212 1.2257 1.3180 1.3233 1.7841 1.7869 2.7453 2.7483 3.0759 3.0798 3.4256 3.4285 3.5984 3.6016 4.1515 4.1583 4.2749 4.2778 7.0491 7.0534 8.3397 8.3416 9.3502 9.3544 9.6121 9.6128 k = 0.3890 0.5783 0.1645 ( 7758 PWs) bands (ev): -37.8806 -37.8806 -13.5924 -13.5924 -12.8071 -12.8029 -12.2543 -12.2508 -12.1368 -12.1333 -1.7170 -1.7161 -0.5532 -0.5519 0.6923 0.6947 1.1839 1.1887 1.2870 1.2918 1.7523 1.7550 2.7796 2.7828 3.0858 3.0897 3.4483 3.4525 3.6061 3.6079 4.1596 4.1665 4.2864 4.2896 7.0621 7.0668 8.3335 8.3355 9.3601 9.3645 9.6450 9.6457 k = 0.3821 0.5859 0.1748 ( 7774 PWs) bands (ev): -37.8806 -37.8806 -13.5972 -13.5971 -12.8022 -12.7978 -12.2589 -12.2552 -12.1301 -12.1264 -1.6979 -1.6969 -0.5492 -0.5478 0.6659 0.6681 1.1467 1.1516 1.2568 1.2611 1.7191 1.7219 2.8149 2.8183 3.0924 3.0962 3.4621 3.4674 3.6201 3.6220 4.1693 4.1763 4.2968 4.3005 7.0755 7.0805 8.3289 8.3310 9.3705 9.3751 9.6777 9.6785 k = 0.3752 0.5935 0.1851 ( 7772 PWs) bands (ev): -37.8806 -37.8806 -13.6029 -13.6029 -12.7968 -12.7923 -12.2630 -12.2592 -12.1230 -12.1192 -1.6787 -1.6777 -0.5465 -0.5450 0.6431 0.6451 1.1100 1.1151 1.2275 1.2314 1.6847 1.6878 2.8507 2.8544 3.0950 3.0988 3.4692 3.4751 3.6389 3.6420 4.1807 4.1876 4.3059 4.3102 7.0892 7.0944 8.3260 8.3283 9.3814 9.3862 9.7100 9.7108 k = 0.3682 0.6011 0.1954 ( 7768 PWs) bands (ev): -37.8806 -37.8806 -13.6096 -13.6096 -12.7908 -12.7862 -12.2666 -12.2626 -12.1157 -12.1116 -1.6596 -1.6586 -0.5453 -0.5438 0.6241 0.6259 1.0742 1.0795 1.1993 1.2030 1.6494 1.6529 2.8868 2.8908 3.0932 3.0970 3.4729 3.4787 3.6604 3.6644 4.1938 4.2004 4.3136 4.3186 7.1030 7.1084 8.3249 8.3274 9.3928 9.3978 9.7418 9.7427 k = 0.3613 0.6087 0.2057 ( 7772 PWs) bands (ev): -37.8806 -37.8806 -13.6175 -13.6175 -12.7841 -12.7794 -12.2696 -12.2656 -12.1080 -12.1038 -1.6408 -1.6397 -0.5460 -0.5444 0.6090 0.6106 1.0398 1.0451 1.1725 1.1759 1.6133 1.6173 2.9227 2.9271 3.0865 3.0903 3.4757 3.4811 3.6822 3.6868 4.2084 4.2145 4.3197 4.3256 7.1167 7.1224 8.3257 8.3283 9.4047 9.4100 9.7730 9.7739 k = 0.3543 0.6162 0.2159 ( 7764 PWs) bands (ev): -37.8806 -37.8806 -13.6266 -13.6266 -12.7768 -12.7720 -12.2721 -12.2679 -12.1000 -12.0956 -1.6222 -1.6211 -0.5487 -0.5471 0.5979 0.5993 1.0069 1.0123 1.1474 1.1506 1.5768 1.5812 2.9581 2.9631 3.0750 3.0786 3.4792 3.4839 3.7028 3.7077 4.2244 4.2297 4.3243 4.3313 7.1303 7.1361 8.3284 8.3310 9.4172 9.4226 9.8034 9.8043 k = 0.3543 0.6162 0.2159 ( 7764 PWs) bands (ev): -37.8806 -37.8806 -13.6266 -13.6266 -12.7768 -12.7720 -12.2721 -12.2679 -12.1000 -12.0956 -1.6222 -1.6211 -0.5487 -0.5471 0.5979 0.5993 1.0069 1.0123 1.1474 1.1506 1.5768 1.5812 2.9581 2.9631 3.0750 3.0786 3.4792 3.4839 3.7028 3.7077 4.2244 4.2297 4.3243 4.3313 7.1303 7.1361 8.3284 8.3310 9.4172 9.4226 9.8034 9.8043 k = 0.3417 0.6122 0.2215 ( 7770 PWs) bands (ev): -37.8806 -37.8806 -13.6327 -13.6327 -12.7720 -12.7672 -12.2727 -12.2685 -12.0955 -12.0911 -1.6121 -1.6109 -0.5513 -0.5497 0.5932 0.5945 0.9874 0.9928 1.1352 1.1383 1.5600 1.5647 2.9752 2.9808 3.0656 3.0689 3.4806 3.4849 3.7143 3.7193 4.2342 4.2388 4.3263 4.3342 7.1371 7.1430 8.3311 8.3338 9.4246 9.4301 9.8194 9.8203 k = 0.3290 0.6081 0.2270 ( 7765 PWs) bands (ev): -37.8806 -37.8806 -13.6406 -13.6406 -12.7662 -12.7614 -12.2724 -12.2681 -12.0909 -12.0863 -1.6015 -1.6003 -0.5546 -0.5530 0.5890 0.5901 0.9627 0.9680 1.1249 1.1280 1.5495 1.5543 2.9886 2.9951 3.0523 3.0552 3.4809 3.4845 3.7272 3.7322 4.2452 4.2491 4.3287 4.3380 7.1430 7.1489 8.3354 8.3382 9.4332 9.4387 9.8353 9.8362 k = 0.3164 0.6040 0.2325 ( 7761 PWs) bands (ev): -37.8806 -37.8806 -13.6500 -13.6500 -12.7596 -12.7548 -12.2710 -12.2666 -12.0861 -12.0814 -1.5905 -1.5893 -0.5583 -0.5568 0.5853 0.5861 0.9322 0.9373 1.1176 1.1208 1.5448 1.5496 2.9963 3.0049 3.0363 3.0398 3.4802 3.4834 3.7410 3.7460 4.2559 4.2596 4.3331 4.3442 7.1481 7.1541 8.3413 8.3440 9.4426 9.4482 9.8508 9.8517 k = 0.3037 0.5999 0.2380 ( 7764 PWs) bands (ev): -37.8806 -37.8806 -13.6607 -13.6606 -12.7525 -12.7478 -12.2686 -12.2641 -12.0810 -12.0762 -1.5794 -1.5782 -0.5623 -0.5608 0.5820 0.5827 0.8959 0.9008 1.1138 1.1171 1.5452 1.5501 2.9909 3.0013 3.0259 3.0313 3.4792 3.4818 3.7550 3.7600 4.2640 4.2689 4.3414 4.3544 7.1525 7.1585 8.3486 8.3513 9.4527 9.4584 9.8658 9.8667 k = 0.2911 0.5959 0.2436 ( 7755 PWs) bands (ev): -37.8806 -37.8806 -13.6723 -13.6722 -12.7454 -12.7407 -12.2650 -12.2605 -12.0759 -12.0710 -1.5683 -1.5670 -0.5661 -0.5646 0.5791 0.5798 0.8547 0.8592 1.1137 1.1170 1.5499 1.5547 2.9693 2.9776 3.0287 3.0332 3.4779 3.4802 3.7687 3.7735 4.2686 4.2747 4.3556 4.3696 7.1563 7.1622 8.3574 8.3600 9.4635 9.4692 9.8802 9.8812 k = 0.2784 0.5918 0.2491 ( 7755 PWs) bands (ev): -37.8806 -37.8806 -13.6846 -13.6845 -12.7383 -12.7338 -12.2604 -12.2557 -12.0706 -12.0655 -1.5573 -1.5561 -0.5695 -0.5679 0.5764 0.5772 0.8097 0.8139 1.1167 1.1200 1.5580 1.5627 2.9396 2.9467 3.0332 3.0375 3.4766 3.4786 3.7815 3.7862 4.2700 4.2767 4.3756 4.3897 7.1594 7.1653 8.3675 8.3700 9.4746 9.4803 9.8939 9.8949 k = 0.2658 0.5877 0.2546 ( 7756 PWs) bands (ev): -37.8806 -37.8806 -13.6975 -13.6973 -12.7316 -12.7272 -12.2547 -12.2500 -12.0651 -12.0599 -1.5466 -1.5454 -0.5720 -0.5705 0.5738 0.5747 0.7622 0.7661 1.1224 1.1257 1.5686 1.5733 2.9054 2.9119 3.0370 3.0413 3.4752 3.4772 3.7930 3.7976 4.2691 4.2758 4.4000 4.4136 7.1621 7.1679 8.3788 8.3813 9.4859 9.4916 9.9067 9.9078 k = 0.2531 0.5836 0.2601 ( 7748 PWs) bands (ev): -37.8806 -37.8806 -13.7106 -13.7105 -12.7254 -12.7212 -12.2481 -12.2433 -12.0595 -12.0542 -1.5363 -1.5351 -0.5734 -0.5719 0.5707 0.5719 0.7135 0.7172 1.1303 1.1336 1.5811 1.5857 2.8682 2.8742 3.0399 3.0442 3.4739 3.4759 3.8028 3.8073 4.2667 4.2733 4.4274 4.4403 7.1642 7.1699 8.3914 8.3937 9.4973 9.5029 9.9188 9.9199 k = 0.2404 0.5795 0.2657 ( 7752 PWs) bands (ev): -37.8806 -37.8806 -13.7240 -13.7238 -12.7199 -12.7158 -12.2406 -12.2357 -12.0538 -12.0484 -1.5266 -1.5254 -0.5735 -0.5721 0.5660 0.5676 0.6655 0.6689 1.1399 1.1432 1.5951 1.5996 2.8288 2.8345 3.0419 3.0462 3.4727 3.4749 3.8107 3.8151 4.2636 4.2700 4.4568 4.4689 7.1660 7.1715 8.4051 8.4073 9.5085 9.5141 9.9299 9.9310 k = 0.2278 0.5755 0.2712 ( 7746 PWs) bands (ev): -37.8806 -37.8806 -13.7373 -13.7371 -12.7149 -12.7110 -12.2324 -12.2274 -12.0480 -12.0425 -1.5175 -1.5163 -0.5720 -0.5707 0.5561 0.5583 0.6224 0.6254 1.1508 1.1541 1.6100 1.6145 2.7879 2.7933 3.0432 3.0475 3.4715 3.4740 3.8164 3.8207 4.2602 4.2664 4.4874 4.4987 7.1673 7.1727 8.4198 8.4220 9.5194 9.5249 9.9401 9.9413 k = 0.2151 0.5714 0.2767 ( 7734 PWs) bands (ev): -37.8806 -37.8806 -13.7505 -13.7503 -12.7107 -12.7070 -12.2237 -12.2186 -12.0421 -12.0365 -1.5091 -1.5079 -0.5689 -0.5676 0.5316 0.5341 0.5947 0.5965 1.1627 1.1661 1.6256 1.6300 2.7461 2.7513 3.0441 3.0483 3.4705 3.4733 3.8198 3.8241 4.2569 4.2629 4.5184 4.5290 7.1684 7.1735 8.4355 8.4375 9.5297 9.5352 9.9494 9.9506 k = 0.2025 0.5673 0.2822 ( 7728 PWs) bands (ev): -37.8806 -37.8806 -13.7634 -13.7633 -12.7071 -12.7036 -12.2145 -12.2094 -12.0361 -12.0305 -1.5014 -1.5003 -0.5640 -0.5627 0.4912 0.4937 0.5833 0.5842 1.1753 1.1787 1.6415 1.6459 2.7039 2.7089 3.0445 3.0488 3.4697 3.4729 3.8209 3.8252 4.2539 4.2596 4.5495 4.5593 7.1691 7.1741 8.4521 8.4539 9.5394 9.5448 9.9578 9.9590 k = 0.1898 0.5632 0.2878 ( 7727 PWs) bands (ev): -37.8806 -37.8806 -13.7760 -13.7758 -12.7042 -12.7009 -12.2051 -12.2000 -12.0300 -12.0244 -1.4945 -1.4934 -0.5574 -0.5561 0.4455 0.4480 0.5776 0.5785 1.1883 1.1917 1.6576 1.6619 2.6620 2.6668 3.0448 3.0489 3.4692 3.4727 3.8197 3.8240 4.2514 4.2569 4.5801 4.5892 7.1695 7.1743 8.4693 8.4710 9.5483 9.5536 9.9653 9.9666 k = 0.1772 0.5591 0.2933 ( 7733 PWs) bands (ev): -37.8806 -37.8806 -13.7881 -13.7879 -12.7019 -12.6988 -12.1956 -12.1906 -12.0239 -12.0184 -1.4884 -1.4874 -0.5490 -0.5479 0.3994 0.4018 0.5734 0.5745 1.2015 1.2049 1.6735 1.6778 2.6207 2.6253 3.0450 3.0490 3.4690 3.4728 3.8162 3.8205 4.2495 4.2546 4.6099 4.6184 7.1698 7.1743 8.4871 8.4887 9.5562 9.5615 9.9721 9.9734 k = 0.1645 0.5551 0.2988 ( 7739 PWs) bands (ev): -37.8806 -37.8806 -13.7996 -13.7995 -12.7001 -12.6973 -12.1863 -12.1813 -12.0178 -12.0124 -1.4831 -1.4820 -0.5391 -0.5380 0.3543 0.3566 0.5695 0.5707 1.2146 1.2180 1.6891 1.6934 2.5804 2.5848 3.0451 3.0490 3.4693 3.4734 3.8105 3.8150 4.2482 4.2530 4.6387 4.6464 7.1699 7.1741 8.5053 8.5068 9.5632 9.5682 9.9782 9.9795 k = 0.1519 0.5510 0.3043 ( 7741 PWs) bands (ev): -37.8806 -37.8806 -13.8106 -13.8104 -12.6987 -12.6961 -12.1772 -12.1723 -12.0117 -12.0064 -1.4784 -1.4774 -0.5279 -0.5268 0.3110 0.3132 0.5655 0.5667 1.2276 1.2309 1.7043 1.7085 2.5417 2.5459 3.0453 3.0490 3.4701 3.4745 3.8030 3.8075 4.2476 4.2519 4.6660 4.6731 7.1698 7.1738 8.5237 8.5251 9.5690 9.5739 9.9836 9.9850 k = 0.1392 0.5469 0.3099 ( 7740 PWs) bands (ev): -37.8806 -37.8806 -13.8208 -13.8207 -12.6977 -12.6954 -12.1684 -12.1638 -12.0057 -12.0006 -1.4743 -1.4734 -0.5155 -0.5146 0.2700 0.2720 0.5611 0.5624 1.2401 1.2434 1.7189 1.7230 2.5048 2.5088 3.0455 3.0491 3.4716 3.4762 3.7936 3.7982 4.2474 4.2514 4.6917 4.6982 7.1696 7.1733 8.5421 8.5434 9.5737 9.5783 9.9885 9.9899 k = 0.1266 0.5428 0.3154 ( 7745 PWs) bands (ev): -37.8806 -37.8806 -13.8303 -13.8302 -12.6971 -12.6950 -12.1602 -12.1558 -11.9998 -11.9950 -1.4708 -1.4700 -0.5024 -0.5015 0.2316 0.2335 0.5563 0.5576 1.2522 1.2554 1.7327 1.7367 2.4700 2.4738 3.0458 3.0492 3.4738 3.4787 3.7828 3.7875 4.2478 4.2514 4.7157 4.7216 7.1693 7.1728 8.5602 8.5614 9.5772 9.5816 9.9929 9.9942 k = 0.1139 0.5387 0.3209 ( 7745 PWs) bands (ev): -37.8806 -37.8806 -13.8391 -13.8389 -12.6967 -12.6948 -12.1526 -12.1484 -11.9942 -11.9897 -1.4679 -1.4671 -0.4888 -0.4879 0.1960 0.1978 0.5511 0.5524 1.2636 1.2666 1.7455 1.7494 2.4378 2.4413 3.0462 3.0493 3.4768 3.4818 3.7708 3.7755 4.2485 4.2517 4.7377 4.7430 7.1690 7.1721 8.5779 8.5790 9.5797 9.5839 9.9969 9.9981 k = 0.1012 0.5347 0.3264 ( 7739 PWs) bands (ev): -37.8806 -37.8806 -13.8470 -13.8469 -12.6964 -12.6948 -12.1456 -12.1418 -11.9888 -11.9847 -1.4653 -1.4646 -0.4751 -0.4743 0.1636 0.1653 0.5457 0.5469 1.2743 1.2771 1.7574 1.7611 2.4083 2.4116 3.0466 3.0494 3.4806 3.4857 3.7579 3.7627 4.2495 4.2523 4.7577 4.7624 7.1686 7.1715 8.5949 8.5959 9.5812 9.5851 10.0004 10.0016 k = 0.0886 0.5306 0.3320 ( 7743 PWs) bands (ev): -37.8806 -37.8806 -13.8541 -13.8540 -12.6964 -12.6949 -12.1394 -12.1359 -11.9837 -11.9800 -1.4632 -1.4626 -0.4617 -0.4610 0.1346 0.1361 0.5401 0.5413 1.2840 1.2866 1.7680 1.7715 2.3818 2.3848 3.0471 3.0496 3.4852 3.4904 3.7446 3.7493 4.2506 4.2531 4.7755 4.7796 7.1683 7.1708 8.6108 8.6117 9.5819 9.5854 10.0036 10.0046 k = 0.0759 0.5265 0.3375 ( 7747 PWs) bands (ev): -37.8807 -37.8807 -13.8603 -13.8602 -12.6964 -12.6951 -12.1339 -12.1308 -11.9791 -11.9759 -1.4614 -1.4608 -0.4491 -0.4485 0.1091 0.1104 0.5346 0.5356 1.2928 1.2952 1.7775 1.7806 2.3585 2.3612 3.0476 3.0498 3.4906 3.4956 3.7312 3.7357 4.2518 4.2539 4.7911 4.7946 7.1680 7.1702 8.6254 8.6262 9.5820 9.5851 10.0064 10.0073 k = 0.0633 0.5224 0.3430 ( 7747 PWs) bands (ev): -37.8807 -37.8807 -13.8655 -13.8654 -12.6964 -12.6954 -12.1292 -12.1266 -11.9751 -11.9723 -1.4599 -1.4594 -0.4376 -0.4371 0.0873 0.0884 0.5293 0.5302 1.3005 1.3025 1.7856 1.7884 2.3386 2.3409 3.0480 3.0499 3.4965 3.5013 3.7181 3.7225 4.2530 4.2548 4.8044 4.8074 7.1677 7.1695 8.6384 8.6390 9.5816 9.5842 10.0088 10.0096 k = 0.0506 0.5184 0.3485 ( 7743 PWs) bands (ev): -37.8807 -37.8807 -13.8699 -13.8698 -12.6965 -12.6957 -12.1252 -12.1231 -11.9715 -11.9693 -1.4587 -1.4583 -0.4276 -0.4272 0.0694 0.0703 0.5246 0.5253 1.3070 1.3087 1.7923 1.7947 2.3222 2.3241 3.0484 3.0500 3.5027 3.5070 3.7061 3.7100 4.2542 4.2555 4.8155 4.8178 7.1675 7.1690 8.6494 8.6500 9.5809 9.5831 10.0108 10.0115 k = 0.0380 0.5143 0.3541 ( 7739 PWs) bands (ev): -37.8807 -37.8807 -13.8732 -13.8732 -12.6966 -12.6960 -12.1221 -12.1205 -11.9687 -11.9670 -1.4578 -1.4575 -0.4194 -0.4191 0.0554 0.0561 0.5206 0.5212 1.3122 1.3135 1.7977 1.7995 2.3094 2.3109 3.0488 3.0500 3.5087 3.5123 3.6956 3.6989 4.2551 4.2561 4.8241 4.8258 7.1674 7.1685 8.6584 8.6588 9.5803 9.5819 10.0125 10.0130 k = 0.0253 0.5102 0.3596 ( 7733 PWs) bands (ev): -37.8806 -37.8806 -13.8757 -13.8756 -12.6966 -12.6962 -12.1198 -12.1188 -11.9665 -11.9654 -1.4571 -1.4569 -0.4133 -0.4131 0.0454 0.0459 0.5176 0.5180 1.3161 1.3169 1.8016 1.8029 2.3003 2.3013 3.0491 3.0499 3.5140 3.5166 3.6876 3.6900 4.2559 4.2566 4.8304 4.8315 7.1673 7.1680 8.6650 8.6653 9.5797 9.5808 10.0137 10.0140 k = 0.0127 0.5061 0.3651 ( 7731 PWs) bands (ev): -37.8806 -37.8806 -13.8771 -13.8771 -12.6966 -12.6964 -12.1183 -12.1178 -11.9651 -11.9645 -1.4567 -1.4566 -0.4096 -0.4095 0.0394 0.0397 0.5158 0.5160 1.3185 1.3189 1.8041 1.8048 2.2949 2.2955 3.0494 3.0498 3.5178 3.5192 3.6826 3.6839 4.2564 4.2568 4.8343 4.8348 7.1673 7.1677 8.6690 8.6692 9.5794 9.5800 10.0144 10.0146 k = 0.0000 0.5020 0.3706 ( 7734 PWs) bands (ev): -37.8807 -37.8807 -13.8776 -13.8776 -12.6965 -12.6965 -12.1176 -12.1176 -11.9644 -11.9644 -1.4565 -1.4565 -0.4083 -0.4083 0.0375 0.0375 0.5152 0.5152 1.3194 1.3194 1.8052 1.8052 2.2933 2.2933 3.0496 3.0496 3.5197 3.5197 3.6814 3.6814 4.2567 4.2567 4.8358 4.8358 7.1675 7.1675 8.6704 8.6704 9.5795 9.5795 10.0148 10.0148 k = 0.0000 0.5020 0.3706 ( 7734 PWs) bands (ev): -37.8807 -37.8807 -13.8776 -13.8776 -12.6965 -12.6965 -12.1176 -12.1176 -11.9644 -11.9644 -1.4565 -1.4565 -0.4083 -0.4083 0.0375 0.0375 0.5152 0.5152 1.3194 1.3194 1.8052 1.8052 2.2933 2.2933 3.0496 3.0496 3.5197 3.5197 3.6814 3.6814 4.2567 4.2567 4.8358 4.8358 7.1675 7.1675 8.6704 8.6704 9.5795 9.5795 10.0148 10.0148 k = 0.0069 0.4944 0.3809 ( 7728 PWs) bands (ev): -37.8806 -37.8806 -13.8771 -13.8771 -12.6966 -12.6964 -12.1183 -12.1180 -11.9646 -11.9645 -1.4572 -1.4571 -0.4112 -0.4110 0.0382 0.0387 0.5171 0.5173 1.3176 1.3182 1.8064 1.8068 2.2946 2.2951 3.0479 3.0487 3.5207 3.5213 3.6821 3.6827 4.2568 4.2572 4.8353 4.8354 7.1661 7.1662 8.6701 8.6703 9.5804 9.5805 10.0151 10.0152 k = 0.0139 0.4868 0.3912 ( 7728 PWs) bands (ev): -37.8806 -37.8806 -13.8757 -13.8757 -12.6967 -12.6964 -12.1199 -12.1193 -11.9649 -11.9647 -1.4592 -1.4590 -0.4197 -0.4193 0.0406 0.0414 0.5227 0.5233 1.3128 1.3140 1.8106 1.8114 2.2991 2.3000 3.0436 3.0452 3.5241 3.5254 3.6850 3.6861 4.2573 4.2580 4.8339 4.8341 7.1620 7.1623 8.6694 8.6698 9.5831 9.5834 10.0161 10.0163 k = 0.0208 0.4792 0.4015 ( 7734 PWs) bands (ev): -37.8806 -37.8806 -13.8734 -13.8733 -12.6969 -12.6963 -12.1224 -12.1216 -11.9655 -11.9652 -1.4625 -1.4621 -0.4331 -0.4325 0.0443 0.0455 0.5322 0.5330 1.3051 1.3069 1.8177 1.8189 2.3065 2.3079 3.0371 3.0395 3.5295 3.5312 3.6901 3.6918 4.2582 4.2593 4.8317 4.8320 7.1553 7.1558 8.6683 8.6689 9.5878 9.5881 10.0179 10.0182 k = 0.0278 0.4716 0.4118 ( 7742 PWs) bands (ev): -37.8807 -37.8807 -13.8701 -13.8700 -12.6971 -12.6963 -12.1259 -12.1249 -11.9663 -11.9659 -1.4670 -1.4665 -0.4508 -0.4501 0.0486 0.0501 0.5452 0.5463 1.2947 1.2970 1.8278 1.8294 2.3167 2.3185 3.0292 3.0322 3.5360 3.5379 3.6979 3.7001 4.2594 4.2610 4.8286 4.8290 7.1461 7.1467 8.6668 8.6676 9.5942 9.5947 10.0204 10.0207 k = 0.0347 0.4640 0.4221 ( 7744 PWs) bands (ev): -37.8806 -37.8806 -13.8659 -13.8658 -12.6973 -12.6964 -12.1303 -12.1290 -11.9673 -11.9668 -1.4726 -1.4719 -0.4721 -0.4713 0.0530 0.0548 0.5613 0.5628 1.2820 1.2846 1.8409 1.8429 2.3294 2.3316 3.0203 3.0238 3.5427 3.5447 3.7085 3.7112 4.2610 4.2629 4.8246 4.8251 7.1343 7.1351 8.6650 8.6660 9.6024 9.6030 10.0235 10.0240 k = 0.0417 0.4564 0.4324 ( 7742 PWs) bands (ev): -37.8806 -37.8806 -13.8608 -13.8607 -12.6977 -12.6965 -12.1355 -12.1340 -11.9686 -11.9680 -1.4792 -1.4784 -0.4962 -0.4953 0.0568 0.0589 0.5802 0.5820 1.2673 1.2704 1.8570 1.8592 2.3444 2.3469 3.0112 3.0151 3.5489 3.5509 3.7220 3.7252 4.2628 4.2651 4.8199 4.8204 7.1201 7.1211 8.6629 8.6641 9.6123 9.6130 10.0273 10.0279 k = 0.0486 0.4488 0.4427 ( 7736 PWs) bands (ev): -37.8806 -37.8806 -13.8547 -13.8546 -12.6981 -12.6968 -12.1415 -12.1397 -11.9700 -11.9694 -1.4867 -1.4859 -0.5223 -0.5214 0.0596 0.0620 0.6011 0.6033 1.2516 1.2549 1.8760 1.8784 2.3614 2.3641 3.0024 3.0067 3.5539 3.5559 3.7383 3.7419 4.2647 4.2673 4.8142 4.8148 7.1036 7.1048 8.6606 8.6620 9.6238 9.6246 10.0318 10.0324 k = 0.0556 0.4412 0.4530 ( 7740 PWs) bands (ev): -37.8806 -37.8806 -13.8478 -13.8477 -12.6987 -12.6972 -12.1482 -12.1462 -11.9717 -11.9710 -1.4951 -1.4941 -0.5498 -0.5489 0.0612 0.0637 0.6231 0.6256 1.2357 1.2392 1.8974 1.9001 2.3800 2.3829 2.9946 2.9991 3.5576 3.5598 3.7571 3.7611 4.2666 4.2696 4.8078 4.8084 7.0850 7.0863 8.6581 8.6597 9.6368 9.6377 10.0368 10.0375 k = 0.0625 0.4336 0.4633 ( 7734 PWs) bands (ev): -37.8806 -37.8806 -13.8401 -13.8399 -12.6995 -12.6977 -12.1556 -12.1533 -11.9735 -11.9728 -1.5041 -1.5031 -0.5781 -0.5772 0.0612 0.0638 0.6449 0.6477 1.2210 1.2246 1.9212 1.9241 2.3998 2.4029 2.9882 2.9929 3.5601 3.5625 3.7777 3.7821 4.2684 4.2717 4.8006 4.8012 7.0642 7.0656 8.6556 8.6572 9.6512 9.6523 10.0424 10.0432 k = 0.0694 0.4260 0.4736 ( 7730 PWs) bands (ev): -37.8806 -37.8806 -13.8315 -13.8314 -12.7005 -12.6985 -12.1635 -12.1610 -11.9756 -11.9748 -1.5138 -1.5126 -0.6067 -0.6059 0.0595 0.0623 0.6648 0.6680 1.2092 1.2128 1.9469 1.9500 2.4205 2.4237 2.9837 2.9885 3.5614 3.5642 3.7997 3.8044 4.2700 4.2735 4.7925 4.7933 7.0415 7.0431 8.6530 8.6548 9.6670 9.6681 10.0486 10.0494 k = 0.0764 0.4184 0.4839 ( 7730 PWs) bands (ev): -37.8806 -37.8806 -13.8221 -13.8220 -12.7018 -12.6996 -12.1720 -12.1692 -11.9779 -11.9771 -1.5239 -1.5227 -0.6352 -0.6344 0.0562 0.0592 0.6808 0.6844 1.2023 1.2060 1.9742 1.9775 2.4416 2.4451 2.9813 2.9864 3.5620 3.5652 3.8226 3.8276 4.2711 4.2749 4.7838 4.7846 7.0170 7.0188 8.6504 8.6524 9.6839 9.6851 10.0552 10.0561 k = 0.0833 0.4108 0.4942 ( 7722 PWs) bands (ev): -37.8806 -37.8806 -13.8120 -13.8118 -12.7034 -12.7010 -12.1808 -12.1778 -11.9804 -11.9796 -1.5345 -1.5331 -0.6632 -0.6625 0.0513 0.0544 0.6909 0.6949 1.2025 1.2062 2.0026 2.0061 2.4627 2.4664 2.9815 2.9868 3.5619 3.5657 3.8458 3.8510 4.2718 4.2758 4.7743 4.7751 6.9909 6.9928 8.6480 8.6501 9.7019 9.7032 10.0622 10.0633 k = 0.0903 0.4032 0.5045 ( 7722 PWs) bands (ev): -37.8806 -37.8806 -13.8011 -13.8009 -12.7055 -12.7028 -12.1898 -12.1866 -11.9831 -11.9823 -1.5454 -1.5439 -0.6904 -0.6897 0.0449 0.0481 0.6933 0.6975 1.2117 1.2152 2.0317 2.0354 2.4834 2.4875 2.9844 2.9900 3.5616 3.5659 3.8690 3.8744 4.2718 4.2761 4.7641 4.7649 6.9634 6.9654 8.6457 8.6479 9.7208 9.7222 10.0697 10.0708 k = 0.0972 0.3956 0.5148 ( 7726 PWs) bands (ev): -37.8806 -37.8806 -13.7896 -13.7894 -12.7079 -12.7051 -12.1991 -12.1956 -11.9859 -11.9851 -1.5565 -1.5550 -0.7164 -0.7157 0.0372 0.0405 0.6871 0.6915 1.2308 1.2341 2.0611 2.0650 2.5032 2.5078 2.9901 2.9961 3.5612 3.5661 3.8918 3.8973 4.2712 4.2756 4.7532 4.7541 6.9345 6.9367 8.6437 8.6460 9.7404 9.7420 10.0774 10.0787 k = 0.1042 0.3880 0.5251 ( 7724 PWs) bands (ev): -37.8806 -37.8806 -13.7774 -13.7772 -12.7109 -12.7078 -12.2084 -12.2047 -11.9889 -11.9882 -1.5679 -1.5663 -0.7410 -0.7403 0.0283 0.0316 0.6726 0.6771 1.2596 1.2627 2.0904 2.0946 2.5220 2.5271 2.9986 3.0050 3.5611 3.5665 3.9140 3.9196 4.2697 4.2744 4.7416 4.7426 6.9046 6.9068 8.6419 8.6443 9.7606 9.7623 10.0856 10.0869 k = 0.1111 0.3804 0.5354 ( 7726 PWs) bands (ev): -37.8806 -37.8806 -13.7646 -13.7644 -12.7144 -12.7111 -12.2176 -12.2137 -11.9921 -11.9914 -1.5793 -1.5777 -0.7640 -0.7633 0.0183 0.0217 0.6509 0.6555 1.2970 1.2998 2.1194 2.1238 2.5393 2.5449 3.0097 3.0166 3.5615 3.5674 3.9354 3.9411 4.2674 4.2722 4.7295 4.7306 6.8737 6.8760 8.6404 8.6430 9.7813 9.7831 10.0939 10.0954 k = 0.1181 0.3728 0.5457 ( 7736 PWs) bands (ev): -37.8806 -37.8806 -13.7513 -13.7511 -12.7185 -12.7150 -12.2267 -12.2225 -11.9954 -11.9947 -1.5909 -1.5892 -0.7851 -0.7845 0.0074 0.0109 0.6235 0.6280 1.3415 1.3441 2.1476 2.1523 2.5550 2.5612 3.0230 3.0305 3.5628 3.5694 3.9558 3.9615 4.2642 4.2692 4.7168 4.7180 6.8420 6.8445 8.6393 8.6419 9.8022 9.8042 10.1026 10.1041 k = 0.1250 0.3652 0.5560 ( 7728 PWs) bands (ev): -37.8806 -37.8806 -13.7375 -13.7373 -12.7232 -12.7195 -12.2355 -12.2311 -11.9988 -11.9981 -1.6025 -1.6007 -0.8043 -0.8037 -0.0041 -0.0007 0.5918 0.5962 1.3918 1.3942 2.1749 2.1799 2.5690 2.5758 3.0377 3.0458 3.5656 3.5727 3.9750 3.9808 4.2601 4.2652 4.7035 4.7049 6.8099 6.8125 8.6385 8.6413 9.8232 9.8254 10.1114 10.1130 k = 0.1319 0.3576 0.5662 ( 7734 PWs) bands (ev): -37.8806 -37.8806 -13.7233 -13.7231 -12.7287 -12.7248 -12.2439 -12.2393 -12.0023 -12.0016 -1.6141 -1.6122 -0.8215 -0.8208 -0.0162 -0.0127 0.5570 0.5614 1.4467 1.4489 2.2010 2.2062 2.5814 2.5887 3.0530 3.0617 3.5702 3.5780 3.9930 3.9988 4.2552 4.2604 4.6897 4.6912 6.7774 6.7801 8.6382 8.6410 9.8441 9.8464 10.1204 10.1222 k = 0.1389 0.3500 0.5765 ( 7736 PWs) bands (ev): -37.8806 -37.8806 -13.7089 -13.7087 -12.7347 -12.7306 -12.2518 -12.2471 -12.0059 -12.0052 -1.6256 -1.6237 -0.8365 -0.8358 -0.0287 -0.0252 0.5203 0.5246 1.5050 1.5072 2.2257 2.2312 2.5922 2.6000 3.0678 3.0771 3.5774 3.5857 4.0097 4.0155 4.2495 4.2548 4.6754 4.6771 6.7448 6.7475 8.6381 8.6410 9.8647 9.8672 10.1295 10.1314 k = 0.1458 0.3424 0.5868 ( 7734 PWs) bands (ev): -37.8806 -37.8806 -13.6942 -13.6940 -12.7415 -12.7372 -12.2592 -12.2543 -12.0095 -12.0089 -1.6370 -1.6350 -0.8493 -0.8487 -0.0414 -0.0379 0.4824 0.4867 1.5661 1.5682 2.2490 2.2547 2.6016 2.6099 3.0810 3.0908 3.5876 3.5965 4.0251 4.0308 4.2432 4.2485 4.6607 4.6625 6.7123 6.7151 8.6385 8.6414 9.8848 9.8875 10.1387 10.1408 k = 0.1528 0.3348 0.5971 ( 7742 PWs) bands (ev): -37.8806 -37.8806 -13.6794 -13.6792 -12.7488 -12.7444 -12.2660 -12.2609 -12.0131 -12.0125 -1.6481 -1.6462 -0.8600 -0.8593 -0.0542 -0.0507 0.4441 0.4484 1.6292 1.6313 2.2706 2.2766 2.6096 2.6183 3.0916 3.1016 3.6014 3.6107 4.0391 4.0448 4.2363 4.2416 4.6455 4.6475 6.6801 6.6831 8.6391 8.6422 9.9043 9.9071 10.1480 10.1502 k = 0.1597 0.3272 0.6074 ( 7740 PWs) bands (ev): -37.8806 -37.8806 -13.6645 -13.6644 -12.7567 -12.7522 -12.2722 -12.2670 -12.0167 -12.0161 -1.6590 -1.6570 -0.8685 -0.8679 -0.0670 -0.0635 0.4061 0.4103 1.6937 1.6959 2.2907 2.2968 2.6164 2.6253 3.0985 3.1086 3.6191 3.6286 4.0518 4.0574 4.2291 4.2343 4.6298 4.6321 6.6486 6.6516 8.6401 8.6432 9.9229 9.9259 10.1573 10.1596 k = 0.1667 0.3196 0.6177 ( 7746 PWs) bands (ev): -37.8806 -37.8806 -13.6498 -13.6497 -12.7651 -12.7605 -12.2777 -12.2724 -12.0202 -12.0197 -1.6696 -1.6676 -0.8751 -0.8745 -0.0797 -0.0762 0.3688 0.3729 1.7593 1.7614 2.3091 2.3154 2.6219 2.6312 3.1012 3.1113 3.6405 3.6502 4.0631 4.0686 4.2218 4.2268 4.6137 4.6161 6.6179 6.6210 8.6413 8.6444 9.9405 9.9438 10.1666 10.1690 k = 0.1736 0.3120 0.6280 ( 7750 PWs) bands (ev): -37.8806 -37.8806 -13.6354 -13.6352 -12.7739 -12.7691 -12.2826 -12.2771 -12.0236 -12.0231 -1.6797 -1.6777 -0.8798 -0.8792 -0.0921 -0.0887 0.3327 0.3368 1.8253 1.8276 2.3258 2.3322 2.6262 2.6357 3.0995 3.1093 3.6654 3.6752 4.0732 4.0786 4.2146 4.2194 4.5971 4.5998 6.5883 6.5914 8.6427 8.6459 9.9570 9.9604 10.1758 10.1783 k = 0.1806 0.3044 0.6383 ( 7752 PWs) bands (ev): -37.8806 -37.8806 -13.6213 -13.6212 -12.7829 -12.7780 -12.2868 -12.2812 -12.0269 -12.0265 -1.6894 -1.6873 -0.8828 -0.8822 -0.1042 -0.1008 0.2982 0.3023 1.8914 1.8938 2.3408 2.3473 2.6291 2.6388 3.0934 3.1029 3.6929 3.7028 4.0821 4.0874 4.2078 4.2122 4.5802 4.5830 6.5600 6.5632 8.6443 8.6475 9.9722 9.9758 10.1848 10.1875 k = 0.1875 0.2968 0.6486 ( 7756 PWs) bands (ev): -37.8806 -37.8806 -13.6078 -13.6077 -12.7919 -12.7870 -12.2904 -12.2848 -12.0300 -12.0296 -1.6984 -1.6963 -0.8842 -0.8837 -0.1158 -0.1125 0.2658 0.2698 1.9572 1.9597 2.3542 2.3607 2.6306 2.6403 3.0834 3.0924 3.7223 3.7322 4.0898 4.0952 4.2016 4.2056 4.5628 4.5659 6.5334 6.5367 8.6459 8.6492 9.9860 9.9898 10.1936 10.1963 k = 0.1944 0.2892 0.6589 ( 7758 PWs) bands (ev): -37.8806 -37.8806 -13.5950 -13.5949 -12.8008 -12.7958 -12.2934 -12.2877 -12.0330 -12.0326 -1.7067 -1.7046 -0.8844 -0.8840 -0.1269 -0.1237 0.2359 0.2397 2.0222 2.0248 2.3660 2.3726 2.6301 2.6400 3.0702 3.0785 3.7525 3.7624 4.0966 4.1021 4.1963 4.1998 4.5453 4.5484 6.5087 6.5120 8.6476 8.6509 9.9984 10.0023 10.2020 10.2048 k = 0.2014 0.2816 0.6692 ( 7762 PWs) bands (ev): -37.8805 -37.8805 -13.5831 -13.5830 -12.8093 -12.8043 -12.2958 -12.2901 -12.0357 -12.0353 -1.7143 -1.7122 -0.8837 -0.8832 -0.1372 -0.1341 0.2087 0.2124 2.0858 2.0887 2.3763 2.3828 2.6275 2.6374 3.0545 3.0621 3.7822 3.7924 4.1025 4.1082 4.1919 4.1950 4.5276 4.5308 6.4861 6.4895 8.6492 8.6525 10.0093 10.0134 10.2098 10.2127 k = 0.2083 0.2740 0.6795 ( 7756 PWs) bands (ev): -37.8805 -37.8805 -13.5722 -13.5722 -12.8173 -12.8123 -12.2978 -12.2921 -12.0381 -12.0378 -1.7210 -1.7189 -0.8821 -0.8818 -0.1467 -0.1438 0.1846 0.1882 2.1476 2.1508 2.3852 2.3916 2.6222 2.6321 3.0374 3.0442 3.8105 3.8210 4.1077 4.1137 4.1888 4.1914 4.5101 4.5134 6.4660 6.4694 8.6507 8.6541 10.0188 10.0229 10.2170 10.2199 k = 0.2153 0.2664 0.6898 ( 7750 PWs) bands (ev): -37.8805 -37.8805 -13.5627 -13.5627 -12.8246 -12.8195 -12.2994 -12.2937 -12.0402 -12.0399 -1.7269 -1.7247 -0.8802 -0.8799 -0.1552 -0.1524 0.1638 0.1672 2.2068 2.2104 2.3928 2.3989 2.6136 2.6236 3.0200 3.0259 3.8363 3.8471 4.1123 4.1188 4.1870 4.1893 4.4932 4.4964 6.4485 6.4520 8.6521 8.6555 10.0267 10.0309 10.2234 10.2263 k = 0.2222 0.2588 0.7001 ( 7746 PWs) bands (ev): -37.8805 -37.8805 -13.5546 -13.5545 -12.8308 -12.8257 -12.3006 -12.2949 -12.0419 -12.0418 -1.7317 -1.7296 -0.8781 -0.8778 -0.1624 -0.1599 0.1466 0.1498 2.2625 2.2668 2.3993 2.4049 2.6014 2.6115 3.0035 3.0085 3.8585 3.8698 4.1164 4.1232 4.1864 4.1886 4.4774 4.4804 6.4339 6.4374 8.6534 8.6567 10.0332 10.0374 10.2288 10.2318 k = 0.2292 0.2512 0.7104 ( 7750 PWs) bands (ev): -37.8805 -37.8805 -13.5481 -13.5480 -12.8359 -12.8308 -12.3015 -12.2957 -12.0434 -12.0432 -1.7355 -1.7334 -0.8761 -0.8759 -0.1683 -0.1660 0.1330 0.1361 2.3129 2.3187 2.4051 2.4097 2.5853 2.5957 2.9891 2.9933 3.8764 3.8881 4.1198 4.1269 4.1869 4.1891 4.4636 4.4663 6.4223 6.4258 8.6543 8.6578 10.0382 10.0425 10.2332 10.2362 k = 0.2361 0.2436 0.7207 ( 7750 PWs) bands (ev): -37.8805 -37.8805 -13.5433 -13.5433 -12.8397 -12.8345 -12.3021 -12.2963 -12.0444 -12.0443 -1.7383 -1.7362 -0.8745 -0.8743 -0.1727 -0.1705 0.1233 0.1263 2.3546 2.3639 2.4114 2.4138 2.5661 2.5772 2.9781 2.9814 3.8895 3.9016 4.1223 4.1298 4.1882 4.1904 4.4528 4.4550 6.4139 6.4175 8.6551 8.6585 10.0417 10.0460 10.2364 10.2394 k = 0.2431 0.2360 0.7310 ( 7750 PWs) bands (ev): -37.8805 -37.8805 -13.5404 -13.5404 -12.8420 -12.8368 -12.3024 -12.2967 -12.0450 -12.0449 -1.7400 -1.7378 -0.8735 -0.8733 -0.1754 -0.1733 0.1174 0.1203 2.3806 2.3961 2.4182 2.4215 2.5474 2.5597 2.9712 2.9738 3.8974 3.9097 4.1239 4.1315 4.1895 4.1915 4.4458 4.4475 6.4088 6.4124 8.6555 8.6589 10.0438 10.0482 10.2384 10.2414 k = 0.2500 0.2284 0.7413 ( 7760 PWs) bands (ev): -37.8805 -37.8805 -13.5395 -13.5394 -12.8428 -12.8376 -12.3025 -12.2968 -12.0452 -12.0452 -1.7405 -1.7384 -0.8731 -0.8730 -0.1763 -0.1743 0.1154 0.1183 2.3880 2.4056 2.4242 2.4280 2.5385 2.5517 2.9689 2.9712 3.9000 3.9124 4.1245 4.1321 4.1900 4.1920 4.4434 4.4449 6.4071 6.4107 8.6557 8.6591 10.0445 10.0489 10.2390 10.2420 k = 0.2500 0.2284 0.7413 ( 7760 PWs) bands (ev): -37.8805 -37.8805 -13.5395 -13.5394 -12.8428 -12.8376 -12.3025 -12.2968 -12.0452 -12.0452 -1.7405 -1.7384 -0.8731 -0.8730 -0.1763 -0.1743 0.1154 0.1183 2.3880 2.4056 2.4242 2.4280 2.5385 2.5517 2.9689 2.9712 3.9000 3.9124 4.1245 4.1321 4.1900 4.1920 4.4434 4.4449 6.4071 6.4107 8.6557 8.6591 10.0445 10.0489 10.2390 10.2420 k = 0.2578 0.2356 0.7316 ( 7752 PWs) bands (ev): -37.8805 -37.8805 -13.5399 -13.5398 -12.8425 -12.8373 -12.3025 -12.2967 -12.0451 -12.0450 -1.7410 -1.7389 -0.8742 -0.8740 -0.1743 -0.1723 0.1176 0.1205 2.3818 2.3969 2.4246 2.4271 2.5416 2.5543 2.9707 2.9731 3.8984 3.9108 4.1186 4.1258 4.1953 4.1977 4.4455 4.4471 6.4075 6.4111 8.6557 8.6591 10.0424 10.0467 10.2406 10.2435 k = 0.2656 0.2427 0.7219 ( 7750 PWs) bands (ev): -37.8805 -37.8805 -13.5410 -13.5409 -12.8417 -12.8365 -12.3022 -12.2965 -12.0449 -12.0448 -1.7426 -1.7405 -0.8770 -0.8768 -0.1686 -0.1665 0.1240 0.1269 2.3636 2.3752 2.4236 2.4258 2.5488 2.5604 2.9760 2.9788 3.8934 3.9056 4.1051 4.1119 4.2074 4.2104 4.4515 4.4533 6.4085 6.4120 8.6560 8.6594 10.0364 10.0404 10.2447 10.2475 k = 0.2734 0.2498 0.7123 ( 7749 PWs) bands (ev): -37.8805 -37.8805 -13.5427 -13.5427 -12.8405 -12.8353 -12.3018 -12.2961 -12.0445 -12.0443 -1.7451 -1.7430 -0.8813 -0.8811 -0.1591 -0.1570 0.1341 0.1371 2.3364 2.3458 2.4199 2.4227 2.5577 2.5679 2.9848 2.9880 3.8850 3.8969 4.0892 4.0957 4.2219 4.2250 4.4610 4.4631 6.4100 6.4135 8.6566 8.6600 10.0270 10.0308 10.2506 10.2531 k = 0.2812 0.2570 0.7026 ( 7745 PWs) bands (ev): -37.8805 -37.8805 -13.5450 -13.5449 -12.8389 -12.8339 -12.3012 -12.2956 -12.0440 -12.0438 -1.7485 -1.7464 -0.8867 -0.8864 -0.1461 -0.1441 0.1478 0.1508 2.3030 2.3110 2.4136 2.4168 2.5666 2.5755 2.9965 3.0003 3.8735 3.8850 4.0729 4.0793 4.2369 4.2400 4.4734 4.4757 6.4119 6.4154 8.6576 8.6609 10.0152 10.0187 10.2573 10.2595 k = 0.2891 0.2641 0.6929 ( 7755 PWs) bands (ev): -37.8805 -37.8805 -13.5475 -13.5475 -12.8372 -12.8322 -12.3005 -12.2950 -12.0435 -12.0432 -1.7526 -1.7507 -0.8927 -0.8924 -0.1301 -0.1281 0.1646 0.1676 2.2650 2.2722 2.4050 2.4086 2.5748 2.5826 3.0105 3.0149 3.8592 3.8704 4.0572 4.0636 4.2516 4.2544 4.4883 4.4908 6.4142 6.4176 8.6591 8.6624 10.0014 10.0046 10.2641 10.2661 k = 0.2969 0.2712 0.6833 ( 7755 PWs) bands (ev): -37.8805 -37.8805 -13.5503 -13.5503 -12.8353 -12.8304 -12.2998 -12.2943 -12.0431 -12.0426 -1.7574 -1.7555 -0.8991 -0.8987 -0.1116 -0.1094 0.1843 0.1874 2.2235 2.2300 2.3946 2.3987 2.5816 2.5886 3.0262 3.0311 3.8428 3.8537 4.0423 4.0486 4.2656 4.2680 4.5052 4.5077 6.4167 6.4200 8.6612 8.6645 9.9861 9.9891 10.2705 10.2722 k = 0.3047 0.2784 0.6736 ( 7755 PWs) bands (ev): -37.8805 -37.8805 -13.5532 -13.5532 -12.8333 -12.8285 -12.2990 -12.2935 -12.0427 -12.0421 -1.7626 -1.7607 -0.9054 -0.9049 -0.0908 -0.0887 0.2065 0.2097 2.1792 2.1852 2.3828 2.3874 2.5869 2.5933 3.0431 3.0484 3.8249 3.8353 4.0282 4.0345 4.2787 4.2805 4.5235 4.5259 6.4194 6.4226 8.6640 8.6672 9.9698 9.9725 10.2759 10.2775 k = 0.3125 0.2855 0.6639 ( 7751 PWs) bands (ev): -37.8805 -37.8805 -13.5561 -13.5561 -12.8314 -12.8266 -12.2981 -12.2927 -12.0424 -12.0417 -1.7680 -1.7662 -0.9114 -0.9109 -0.0683 -0.0662 0.2311 0.2344 2.1329 2.1386 2.3703 2.3754 2.5904 2.5965 3.0605 3.0663 3.8059 3.8161 4.0149 4.0211 4.2907 4.2919 4.5428 4.5452 6.4223 6.4255 8.6674 8.6706 9.9526 9.9551 10.2802 10.2816 k = 0.3203 0.2927 0.6543 ( 7748 PWs) bands (ev): -37.8805 -37.8805 -13.5590 -13.5590 -12.8294 -12.8248 -12.2971 -12.2919 -12.0423 -12.0415 -1.7733 -1.7716 -0.9170 -0.9163 -0.0446 -0.0424 0.2577 0.2610 2.0852 2.0907 2.3572 2.3628 2.5920 2.5980 3.0782 3.0844 3.7865 3.7963 4.0022 4.0084 4.3014 4.3021 4.5627 4.5651 6.4254 6.4285 8.6715 8.6747 9.9348 9.9371 10.2830 10.2843 k = 0.3281 0.2998 0.6446 ( 7737 PWs) bands (ev): -37.8805 -37.8805 -13.5617 -13.5617 -12.8276 -12.8230 -12.2961 -12.2910 -12.0425 -12.0415 -1.7784 -1.7767 -0.9218 -0.9211 -0.0200 -0.0178 0.2859 0.2892 2.0370 2.0422 2.3440 2.3500 2.5916 2.5976 3.0959 3.1024 3.7670 3.7766 3.9901 3.9963 4.3107 4.3109 4.5828 4.5852 6.4288 6.4318 8.6763 8.6794 9.9164 9.9186 10.2843 10.2855 k = 0.3359 0.3069 0.6349 ( 7740 PWs) bands (ev): -37.8805 -37.8805 -13.5642 -13.5642 -12.8258 -12.8213 -12.2952 -12.2902 -12.0429 -12.0418 -1.7830 -1.7814 -0.9259 -0.9251 0.0050 0.0072 0.3154 0.3187 1.9887 1.9937 2.3307 2.3371 2.5893 2.5954 3.1132 3.1200 3.7478 3.7571 3.9786 3.9847 4.3182 4.3187 4.6027 4.6051 6.4325 6.4354 8.6817 8.6848 9.8977 9.8997 10.2840 10.2851 k = 0.3438 0.3141 0.6252 ( 7742 PWs) bands (ev): -37.8805 -37.8805 -13.5664 -13.5664 -12.8241 -12.8197 -12.2941 -12.2893 -12.0437 -12.0423 -1.7869 -1.7854 -0.9291 -0.9283 0.0300 0.0323 0.3457 0.3491 1.9412 1.9460 2.3175 2.3244 2.5849 2.5912 3.1300 3.1370 3.7290 3.7381 3.9676 3.9736 4.3241 4.3252 4.6220 4.6247 6.4366 6.4394 8.6877 8.6908 9.8786 9.8805 10.2819 10.2831 k = 0.3516 0.3212 0.6156 ( 7734 PWs) bands (ev): -37.8805 -37.8805 -13.5684 -13.5683 -12.8226 -12.8183 -12.2931 -12.2884 -12.0449 -12.0433 -1.7900 -1.7885 -0.9313 -0.9304 0.0548 0.0571 0.3765 0.3800 1.8950 1.8998 2.3046 2.3118 2.5786 2.5852 3.1461 3.1534 3.7109 3.7197 3.9571 3.9631 4.3286 4.3302 4.6406 4.6434 6.4411 6.4439 8.6943 8.6973 9.8592 9.8610 10.2781 10.2794 k = 0.3594 0.3283 0.6059 ( 7743 PWs) bands (ev): -37.8805 -37.8805 -13.5699 -13.5699 -12.8212 -12.8170 -12.2921 -12.2874 -12.0464 -12.0446 -1.7920 -1.7906 -0.9326 -0.9316 0.0789 0.0813 0.4073 0.4107 1.8510 1.8557 2.2920 2.2996 2.5704 2.5773 3.1614 3.1690 3.6935 3.7021 3.9472 3.9533 4.3316 4.3338 4.6581 4.6611 6.4462 6.4490 8.7012 8.7043 9.8397 9.8414 10.2726 10.2739 k = 0.3672 0.3355 0.5962 ( 7741 PWs) bands (ev): -37.8805 -37.8805 -13.5711 -13.5711 -12.8200 -12.8159 -12.2910 -12.2865 -12.0484 -12.0464 -1.7930 -1.7916 -0.9327 -0.9317 0.1021 0.1045 0.4374 0.4409 1.8097 1.8144 2.2798 2.2877 2.5604 2.5676 3.1759 3.1836 3.6770 3.6854 3.9379 3.9441 4.3332 4.3358 4.6743 4.6775 6.4520 6.4547 8.7085 8.7116 9.8201 9.8216 10.2654 10.2669 k = 0.3750 0.3426 0.5866 ( 7741 PWs) bands (ev): -37.8805 -37.8805 -13.5720 -13.5719 -12.8190 -12.8150 -12.2900 -12.2856 -12.0508 -12.0486 -1.7927 -1.7914 -0.9317 -0.9307 0.1240 0.1265 0.4663 0.4698 1.7720 1.7767 2.2680 2.2762 2.5488 2.5562 3.1893 3.1973 3.6615 3.6696 3.9292 3.9355 4.3334 4.3365 4.6890 4.6924 6.4585 6.4612 8.7160 8.7190 9.8004 9.8018 10.2566 10.2582 k = 0.3828 0.3498 0.5769 ( 7746 PWs) bands (ev): -37.8805 -37.8805 -13.5724 -13.5723 -12.8182 -12.8142 -12.2889 -12.2847 -12.0537 -12.0512 -1.7911 -1.7898 -0.9296 -0.9285 0.1445 0.1470 0.4933 0.4969 1.7386 1.7434 2.2566 2.2651 2.5355 2.5432 3.2016 3.2098 3.6470 3.6550 3.9211 3.9276 4.3322 4.3357 4.7019 4.7055 6.4658 6.4686 8.7235 8.7266 9.7807 9.7820 10.2462 10.2480 k = 0.3906 0.3569 0.5672 ( 7739 PWs) bands (ev): -37.8805 -37.8805 -13.5724 -13.5724 -12.8175 -12.8136 -12.2879 -12.2837 -12.0570 -12.0543 -1.7882 -1.7870 -0.9263 -0.9251 0.1633 0.1658 0.5179 0.5215 1.7102 1.7151 2.2457 2.2544 2.5210 2.5289 3.2127 3.2210 3.6338 3.6416 3.9137 3.9204 4.3296 4.3335 4.7130 4.7168 6.4741 6.4770 8.7309 8.7340 9.7611 9.7623 10.2342 10.2362 k = 0.3984 0.3640 0.5576 ( 7741 PWs) bands (ev): -37.8805 -37.8805 -13.5720 -13.5720 -12.8170 -12.8131 -12.2868 -12.2828 -12.0607 -12.0577 -1.7841 -1.7829 -0.9217 -0.9204 0.1801 0.1826 0.5395 0.5432 1.6875 1.6925 2.2350 2.2440 2.5052 2.5134 3.2223 3.2308 3.6219 3.6295 3.9069 3.9139 4.3257 4.3299 4.7222 4.7262 6.4833 6.4863 8.7380 8.7412 9.7416 9.7428 10.2209 10.2230 k = 0.4062 0.3712 0.5479 ( 7739 PWs) bands (ev): -37.8805 -37.8805 -13.5713 -13.5712 -12.8167 -12.8128 -12.2858 -12.2819 -12.0647 -12.0616 -1.7787 -1.7776 -0.9158 -0.9145 0.1948 0.1974 0.5576 0.5614 1.6710 1.6760 2.2246 2.2339 2.4886 2.4970 3.2304 3.2391 3.6116 3.6190 3.9008 3.9080 4.3204 4.3250 4.7293 4.7335 6.4936 6.4968 8.7447 8.7480 9.7224 9.7235 10.2062 10.2085 k = 0.4141 0.3783 0.5382 ( 7742 PWs) bands (ev): -37.8806 -37.8806 -13.5702 -13.5702 -12.8165 -12.8126 -12.2848 -12.2810 -12.0692 -12.0657 -1.7721 -1.7711 -0.9086 -0.9072 0.2073 0.2099 0.5719 0.5759 1.6609 1.6660 2.2144 2.2238 2.4714 2.4799 3.2369 3.2457 3.6030 3.6101 3.8951 3.9027 4.3139 4.3188 4.7344 4.7388 6.5050 6.5083 8.7507 8.7541 9.7035 9.7045 10.1902 10.1927 k = 0.4219 0.3854 0.5286 ( 7744 PWs) bands (ev): -37.8806 -37.8806 -13.5688 -13.5688 -12.8165 -12.8126 -12.2837 -12.2800 -12.0739 -12.0702 -1.7645 -1.7635 -0.9000 -0.8986 0.2173 0.2200 0.5826 0.5866 1.6573 1.6625 2.2042 2.2137 2.4539 2.4625 3.2416 3.2504 3.5962 3.6031 3.8900 3.8980 4.3061 4.3113 4.7374 4.7421 6.5174 6.5209 8.7559 8.7594 9.6850 9.6860 10.1731 10.1758 k = 0.4297 0.3926 0.5189 ( 7750 PWs) bands (ev): -37.8806 -37.8806 -13.5672 -13.5672 -12.8166 -12.8127 -12.2827 -12.2791 -12.0788 -12.0749 -1.7560 -1.7551 -0.8900 -0.8886 0.2249 0.2276 0.5897 0.5939 1.6599 1.6651 2.1937 2.2033 2.4366 2.4452 3.2444 3.2533 3.5913 3.5980 3.8854 3.8938 4.2972 4.3027 4.7385 4.7434 6.5309 6.5346 8.7601 8.7637 9.6671 9.6680 10.1550 10.1578 k = 0.4375 0.3997 0.5092 ( 7750 PWs) bands (ev): -37.8806 -37.8806 -13.5654 -13.5654 -12.8169 -12.8129 -12.2817 -12.2782 -12.0839 -12.0798 -1.7467 -1.7458 -0.8786 -0.8771 0.2299 0.2327 0.5937 0.5980 1.6680 1.6732 2.1829 2.1925 2.4198 2.4283 3.2454 3.2543 3.5883 3.5947 3.8813 3.8901 4.2870 4.2928 4.7378 4.7428 6.5455 6.5494 8.7630 8.7667 9.6498 9.6507 10.1359 10.1389 k = 0.4453 0.4069 0.4996 ( 7749 PWs) bands (ev): -37.8806 -37.8806 -13.5636 -13.5635 -12.8172 -12.8132 -12.2807 -12.2773 -12.0890 -12.0847 -1.7368 -1.7360 -0.8657 -0.8643 0.2325 0.2353 0.5953 0.5998 1.6808 1.6859 2.1716 2.1811 2.4040 2.4123 3.2448 3.2535 3.5870 3.5931 3.8776 3.8869 4.2757 4.2818 4.7352 4.7404 6.5610 6.5651 8.7646 8.7684 9.6333 9.6342 10.1159 10.1192 k = 0.4531 0.4140 0.4899 ( 7759 PWs) bands (ev): -37.8806 -37.8806 -13.5616 -13.5616 -12.8176 -12.8136 -12.2796 -12.2764 -12.0942 -12.0897 -1.7265 -1.7258 -0.8516 -0.8501 0.2327 0.2356 0.5953 0.5998 1.6972 1.7021 2.1597 2.1690 2.3896 2.3977 3.2427 3.2512 3.5872 3.5930 3.8744 3.8841 4.2634 4.2697 4.7311 4.7364 6.5775 6.5818 8.7647 8.7686 9.6177 9.6186 10.0953 10.0987 k = 0.4609 0.4211 0.4802 ( 7757 PWs) bands (ev): -37.8806 -37.8806 -13.5598 -13.5597 -12.8180 -12.8139 -12.2786 -12.2755 -12.0993 -12.0946 -1.7160 -1.7154 -0.8361 -0.8346 0.2308 0.2338 0.5943 0.5990 1.7156 1.7204 2.1473 2.1565 2.3770 2.3848 3.2394 3.2477 3.5884 3.5939 3.8716 3.8818 4.2501 4.2567 4.7254 4.7309 6.5948 6.5992 8.7630 8.7671 9.6031 9.6040 10.0740 10.0775 k = 0.4688 0.4283 0.4706 ( 7749 PWs) bands (ev): -37.8806 -37.8806 -13.5581 -13.5581 -12.8183 -12.8141 -12.2776 -12.2745 -12.1042 -12.0994 -1.7055 -1.7049 -0.8194 -0.8179 0.2272 0.2302 0.5932 0.5979 1.7346 1.7392 2.1348 2.1437 2.3666 2.3740 3.2353 3.2433 3.5902 3.5955 3.8694 3.8800 4.2359 4.2427 4.7185 4.7241 6.6129 6.6174 8.7596 8.7638 9.5897 9.5906 10.0523 10.0559 k = 0.4766 0.4354 0.4609 ( 7744 PWs) bands (ev): -37.8806 -37.8806 -13.5567 -13.5567 -12.8185 -12.8142 -12.2766 -12.2736 -12.1089 -12.1040 -1.6952 -1.6946 -0.8017 -0.8003 0.2223 0.2253 0.5924 0.5972 1.7523 1.7566 2.1225 2.1313 2.3585 2.3657 3.2307 3.2385 3.5921 3.5972 3.8677 3.8787 4.2210 4.2280 4.7104 4.7162 6.6315 6.6362 8.7543 8.7586 9.5775 9.5784 10.0302 10.0339 k = 0.4844 0.4426 0.4512 ( 7738 PWs) bands (ev): -37.8806 -37.8806 -13.5558 -13.5557 -12.8185 -12.8141 -12.2756 -12.2726 -12.1133 -12.1082 -1.6852 -1.6847 -0.7833 -0.7818 0.2166 0.2196 0.5926 0.5974 1.7668 1.7710 2.1114 2.1201 2.3530 2.3601 3.2260 3.2334 3.5935 3.5984 3.8666 3.8779 4.2055 4.2128 4.7014 4.7072 6.6507 6.6555 8.7471 8.7514 9.5666 9.5676 10.0078 10.0117 k = 0.4922 0.4497 0.4415 ( 7746 PWs) bands (ev): -37.8806 -37.8806 -13.5555 -13.5554 -12.8181 -12.8136 -12.2746 -12.2716 -12.1173 -12.1122 -1.6757 -1.6751 -0.7643 -0.7629 0.2107 0.2137 0.5941 0.5989 1.7764 1.7805 2.1021 2.1108 2.3504 2.3576 3.2214 3.2286 3.5939 3.5987 3.8660 3.8775 4.1897 4.1972 4.6915 4.6975 6.6702 6.6752 8.7380 8.7424 9.5571 9.5581 9.9853 9.9892 k = 0.5000 0.4568 0.4319 ( 7760 PWs) bands (ev): -37.8806 -37.8806 -13.5558 -13.5557 -12.8173 -12.8127 -12.2735 -12.2705 -12.1210 -12.1157 -1.6667 -1.6662 -0.7452 -0.7438 0.2052 0.2082 0.5973 0.6021 1.7796 1.7836 2.0950 2.1039 2.3511 2.3586 3.2172 3.2241 3.5929 3.5976 3.8657 3.8772 4.1740 4.1817 4.6810 4.6870 6.6900 6.6950 8.7271 8.7316 9.5491 9.5501 9.9628 9.9668 k = 0.5000 0.4568 0.4319 ( 7760 PWs) bands (ev): -37.8806 -37.8806 -13.5558 -13.5557 -12.8173 -12.8127 -12.2735 -12.2705 -12.1210 -12.1157 -1.6667 -1.6662 -0.7452 -0.7438 0.2052 0.2082 0.5973 0.6021 1.7796 1.7836 2.0950 2.1039 2.3511 2.3586 3.2172 3.2241 3.5929 3.5976 3.8657 3.8772 4.1740 4.1817 4.6810 4.6870 6.6900 6.6950 8.7271 8.7316 9.5491 9.5501 9.9628 9.9668 k = 0.5000 0.4568 0.4175 ( 7760 PWs) bands (ev): -37.8806 -37.8806 -13.5569 -13.5569 -12.8158 -12.8110 -12.2718 -12.2687 -12.1259 -12.1206 -1.6551 -1.6546 -0.7173 -0.7159 0.1995 0.2025 0.6046 0.6094 1.7788 1.7830 2.0861 2.0953 2.3552 2.3633 3.2107 3.2173 3.5906 3.5950 3.8648 3.8761 4.1511 4.1591 4.6643 4.6704 6.7193 6.7244 8.7081 8.7127 9.5383 9.5394 9.9298 9.9339 k = 0.5000 0.4568 0.4031 ( 7766 PWs) bands (ev): -37.8806 -37.8806 -13.5581 -13.5580 -12.8145 -12.8097 -12.2698 -12.2667 -12.1307 -12.1254 -1.6460 -1.6454 -0.6906 -0.6892 0.1979 0.2010 0.6143 0.6190 1.7777 1.7820 2.0773 2.0867 2.3604 2.3689 3.2031 3.2094 3.5885 3.5929 3.8624 3.8733 4.1295 4.1376 4.6463 4.6526 6.7479 6.7531 8.6867 8.6913 9.5277 9.5289 9.8979 9.9020 k = 0.5000 0.4568 0.3887 ( 7770 PWs) bands (ev): -37.8806 -37.8806 -13.5592 -13.5592 -12.8135 -12.8086 -12.2676 -12.2645 -12.1354 -12.1301 -1.6395 -1.6389 -0.6656 -0.6643 0.2011 0.2041 0.6266 0.6312 1.7764 1.7807 2.0685 2.0781 2.3665 2.3754 3.1945 3.2005 3.5868 3.5912 3.8579 3.8682 4.1096 4.1177 4.6271 4.6335 6.7757 6.7810 8.6631 8.6678 9.5173 9.5186 9.8671 9.8713 k = 0.5000 0.4568 0.3743 ( 7772 PWs) bands (ev): -37.8806 -37.8806 -13.5604 -13.5603 -12.8127 -12.8078 -12.2652 -12.2621 -12.1399 -12.1347 -1.6357 -1.6352 -0.6427 -0.6415 0.2093 0.2123 0.6415 0.6460 1.7747 1.7791 2.0599 2.0697 2.3733 2.3826 3.1848 3.1906 3.5854 3.5898 3.8509 3.8603 4.0920 4.1000 4.6068 4.6132 6.8025 6.8078 8.6379 8.6426 9.5069 9.5083 9.8374 9.8415 k = 0.5000 0.4568 0.3599 ( 7778 PWs) bands (ev): -37.8806 -37.8806 -13.5615 -13.5614 -12.8122 -12.8073 -12.2626 -12.2595 -12.1443 -12.1390 -1.6348 -1.6342 -0.6224 -0.6213 0.2228 0.2258 0.6595 0.6638 1.7727 1.7772 2.0514 2.0614 2.3808 2.3904 3.1742 3.1798 3.5840 3.5885 3.8407 3.8491 4.0773 4.0851 4.5854 4.5918 6.8280 6.8333 8.6116 8.6163 9.4963 9.4978 9.8087 9.8129 k = 0.5000 0.4568 0.3455 ( 7766 PWs) bands (ev): -37.8806 -37.8806 -13.5627 -13.5626 -12.8120 -12.8070 -12.2598 -12.2566 -12.1484 -12.1432 -1.6366 -1.6360 -0.6050 -0.6039 0.2419 0.2448 0.6805 0.6846 1.7703 1.7749 2.0431 2.0532 2.3888 2.3987 3.1627 3.1681 3.5826 3.5872 3.8270 3.8341 4.0659 4.0733 4.5630 4.5694 6.8521 6.8574 8.5849 8.5895 9.4854 9.4870 9.7809 9.7851 k = 0.5000 0.4568 0.3311 ( 7774 PWs) bands (ev): -37.8806 -37.8806 -13.5638 -13.5637 -12.8121 -12.8071 -12.2567 -12.2536 -12.1523 -12.1473 -1.6410 -1.6404 -0.5906 -0.5895 0.2665 0.2693 0.7046 0.7086 1.7676 1.7722 2.0350 2.0453 2.3973 2.4073 3.1504 3.1557 3.5810 3.5856 3.8097 3.8154 4.0579 4.0650 4.5398 4.5462 6.8746 6.8799 8.5582 8.5628 9.4742 9.4759 9.7540 9.7582 k = 0.5000 0.4568 0.3167 ( 7766 PWs) bands (ev): -37.8806 -37.8806 -13.5649 -13.5648 -12.8124 -12.8075 -12.2535 -12.2504 -12.1561 -12.1511 -1.6479 -1.6472 -0.5792 -0.5781 0.2963 0.2990 0.7320 0.7357 1.7645 1.7692 2.0272 2.0376 2.4062 2.4163 3.1374 3.1426 3.5789 3.5835 3.7890 3.7934 4.0531 4.0598 4.5158 4.5221 6.8952 6.9005 8.5322 8.5367 9.4626 9.4644 9.7279 9.7321 k = 0.5000 0.4568 0.3023 ( 7762 PWs) bands (ev): -37.8806 -37.8806 -13.5660 -13.5659 -12.8130 -12.8081 -12.2501 -12.2471 -12.1596 -12.1548 -1.6570 -1.6564 -0.5708 -0.5697 0.3311 0.3337 0.7626 0.7661 1.7610 1.7657 2.0196 2.0300 2.4153 2.4255 3.1237 3.1288 3.5760 3.5806 3.7656 3.7688 4.0510 4.0575 4.4912 4.4974 6.9139 6.9191 8.5074 8.5118 9.4507 9.4525 9.7023 9.7065 k = 0.5000 0.4568 0.2879 ( 7774 PWs) bands (ev): -37.8806 -37.8806 -13.5671 -13.5670 -12.8138 -12.8090 -12.2465 -12.2436 -12.1629 -12.1582 -1.6681 -1.6675 -0.5651 -0.5640 0.3702 0.3727 0.7965 0.7997 1.7571 1.7619 2.0122 2.0228 2.4246 2.4348 3.1094 3.1145 3.5717 3.5760 3.7404 3.7427 4.0513 4.0575 4.4662 4.4723 6.9305 6.9356 8.4844 8.4886 9.4384 9.4403 9.6771 9.6813 k = 0.5000 0.4568 0.2735 ( 7774 PWs) bands (ev): -37.8806 -37.8806 -13.5681 -13.5680 -12.8148 -12.8102 -12.2428 -12.2400 -12.1660 -12.1615 -1.6810 -1.6803 -0.5618 -0.5608 0.4132 0.4156 0.8334 0.8363 1.7527 1.7576 2.0051 2.0157 2.4341 2.4442 3.0945 3.0995 3.5648 3.5687 3.7148 3.7165 4.0533 4.0593 4.4410 4.4468 6.9448 6.9498 8.4635 8.4676 9.4258 9.4278 9.6522 9.6563 k = 0.5000 0.4568 0.2591 ( 7782 PWs) bands (ev): -37.8806 -37.8806 -13.5691 -13.5691 -12.8161 -12.8115 -12.2391 -12.2363 -12.1689 -12.1645 -1.6952 -1.6946 -0.5607 -0.5597 0.4594 0.4618 0.8732 0.8760 1.7478 1.7528 1.9982 2.0090 2.4437 2.4537 3.0790 3.0841 3.5536 3.5572 3.6903 3.6924 4.0568 4.0625 4.4156 4.4213 6.9568 6.9616 8.4452 8.4492 9.4132 9.4152 9.6275 9.6315 k = 0.5000 0.4568 0.2447 ( 7794 PWs) bands (ev): -37.8806 -37.8806 -13.5701 -13.5700 -12.8174 -12.8131 -12.2352 -12.2325 -12.1715 -12.1674 -1.7106 -1.7100 -0.5614 -0.5604 0.5081 0.5105 0.9158 0.9184 1.7424 1.7475 1.9917 2.0027 2.4533 2.4633 3.0632 3.0682 3.5361 3.5395 3.6695 3.6726 4.0614 4.0669 4.3904 4.3958 6.9664 6.9711 8.4298 8.4336 9.4005 9.4025 9.6027 9.6067 k = 0.5000 0.4568 0.2303 ( 7782 PWs) bands (ev): -37.8806 -37.8806 -13.5710 -13.5710 -12.8190 -12.8148 -12.2313 -12.2287 -12.1740 -12.1701 -1.7268 -1.7262 -0.5635 -0.5625 0.5588 0.5613 0.9608 0.9634 1.7363 1.7415 1.9857 1.9968 2.4630 2.4728 3.0469 3.0520 3.5108 3.5144 3.6540 3.6583 4.0667 4.0720 4.3656 4.3707 6.9737 6.9782 8.4175 8.4210 9.3880 9.3900 9.5779 9.5818 k = 0.5000 0.4568 0.2159 ( 7774 PWs) bands (ev): -37.8806 -37.8806 -13.5719 -13.5719 -12.8206 -12.8166 -12.2274 -12.2250 -12.1762 -12.1726 -1.7435 -1.7429 -0.5668 -0.5659 0.6110 0.6135 1.0079 1.0105 1.7295 1.7349 1.9803 1.9916 2.4727 2.4823 3.0303 3.0354 3.4782 3.4821 3.6438 3.6490 4.0727 4.0776 4.3413 4.3461 6.9788 6.9830 8.4084 8.4117 9.3757 9.3776 9.5529 9.5568 k = 0.5000 0.4568 0.2015 ( 7774 PWs) bands (ev): -37.8806 -37.8806 -13.5728 -13.5727 -12.8223 -12.8185 -12.2236 -12.2212 -12.1783 -12.1749 -1.7604 -1.7598 -0.5710 -0.5701 0.6640 0.6667 1.0566 1.0594 1.7219 1.7275 1.9757 1.9871 2.4824 2.4918 3.0136 3.0186 3.4399 3.4439 3.6378 3.6434 4.0790 4.0837 4.3177 4.3222 6.9817 6.9857 8.4025 8.4055 9.3638 9.3657 9.5279 9.5316 k = 0.5000 0.4568 0.1871 ( 7782 PWs) bands (ev): -37.8806 -37.8806 -13.5736 -13.5736 -12.8240 -12.8204 -12.2198 -12.2176 -12.1802 -12.1770 -1.7773 -1.7768 -0.5758 -0.5750 0.7175 0.7204 1.1065 1.1095 1.7133 1.7190 1.9721 1.9838 2.4922 2.5013 2.9967 3.0017 3.3973 3.4014 3.6344 3.6402 4.0855 4.0899 4.2951 4.2992 6.9827 6.9864 8.3996 8.4024 9.3523 9.3542 9.5027 9.5063 k = 0.5000 0.4568 0.1728 ( 7782 PWs) bands (ev): -37.8806 -37.8806 -13.5744 -13.5743 -12.8258 -12.8224 -12.2161 -12.2140 -12.1818 -12.1789 -1.7939 -1.7934 -0.5811 -0.5803 0.7711 0.7742 1.1568 1.1602 1.7035 1.7095 1.9700 1.9819 2.5020 2.5108 2.9798 2.9847 3.3515 3.3556 3.6327 3.6385 4.0921 4.0961 4.2735 4.2774 6.9820 6.9854 8.3998 8.4022 9.3415 9.3432 9.4776 9.4811 k = 0.5000 0.4568 0.1584 ( 7770 PWs) bands (ev): -37.8806 -37.8806 -13.5751 -13.5750 -12.8275 -12.8244 -12.2126 -12.2106 -12.1833 -12.1807 -1.8101 -1.8096 -0.5866 -0.5858 0.8243 0.8276 1.2069 1.2107 1.6925 1.6985 1.9698 1.9819 2.5119 2.5204 2.9631 2.9680 3.3033 3.3072 3.6322 3.6379 4.0986 4.1023 4.2533 4.2567 6.9799 6.9830 8.4025 8.4047 9.3313 9.3330 9.4526 9.4559 k = 0.5000 0.4568 0.1440 ( 7764 PWs) bands (ev): -37.8806 -37.8806 -13.5757 -13.5757 -12.8292 -12.8263 -12.2093 -12.2074 -12.1846 -12.1823 -1.8254 -1.8250 -0.5921 -0.5914 0.8768 0.8804 1.2560 1.2601 1.6799 1.6861 1.9718 1.9840 2.5219 2.5300 2.9467 2.9514 3.2532 3.2570 3.6324 3.6379 4.1050 4.1083 4.2344 4.2375 6.9767 6.9795 8.4076 8.4094 9.3219 9.3234 9.4280 9.4311 k = 0.5000 0.4568 0.1296 ( 7760 PWs) bands (ev): -37.8806 -37.8806 -13.5763 -13.5763 -12.8308 -12.8282 -12.2062 -12.2044 -12.1858 -12.1837 -1.8399 -1.8395 -0.5975 -0.5969 0.9284 0.9322 1.3030 1.3075 1.6657 1.6721 1.9766 1.9888 2.5321 2.5397 2.9309 2.9354 3.2018 3.2055 3.6331 3.6383 4.1110 4.1140 4.2171 4.2198 6.9727 6.9752 8.4145 8.4161 9.3132 9.3146 9.4040 9.4070 k = 0.5000 0.4568 0.1152 ( 7760 PWs) bands (ev): -37.8806 -37.8806 -13.5769 -13.5768 -12.8322 -12.8299 -12.2033 -12.2017 -12.1867 -12.1850 -1.8533 -1.8529 -0.6026 -0.6021 0.9786 0.9826 1.3472 1.3518 1.6499 1.6562 1.9845 1.9965 2.5425 2.5495 2.9157 2.9200 3.1498 3.1533 3.6341 3.6389 4.1167 4.1192 4.2014 4.2038 6.9681 6.9704 8.4229 8.4242 9.3054 9.3067 9.3810 9.3836 k = 0.5000 0.4568 0.1008 ( 7760 PWs) bands (ev): -37.8806 -37.8806 -13.5774 -13.5773 -12.8336 -12.8315 -12.2008 -12.1993 -12.1874 -12.1860 -1.8654 -1.8651 -0.6075 -0.6070 1.0272 1.0313 1.3874 1.3920 1.6324 1.6387 1.9957 2.0072 2.5532 2.5596 2.9014 2.9055 3.0979 3.1012 3.6353 3.6397 4.1218 4.1241 4.1874 4.1894 6.9634 6.9653 8.4322 8.4333 9.2985 9.2996 9.3591 9.3616 k = 0.5000 0.4568 0.0864 ( 7750 PWs) bands (ev): -37.8806 -37.8806 -13.5778 -13.5777 -12.8348 -12.8330 -12.1986 -12.1973 -12.1880 -12.1869 -1.8762 -1.8759 -0.6118 -0.6114 1.0736 1.0778 1.4230 1.4274 1.6135 1.6196 2.0100 2.0208 2.5642 2.5699 2.8883 2.8920 3.0468 3.0499 3.6366 3.6405 4.1265 4.1283 4.1753 4.1769 6.9587 6.9603 8.4419 8.4427 9.2925 9.2935 9.3390 9.3411 k = 0.5000 0.4568 0.0720 ( 7734 PWs) bands (ev): -37.8806 -37.8806 -13.5781 -13.5781 -12.8358 -12.8343 -12.1968 -12.1956 -12.1882 -12.1875 -1.8855 -1.8853 -0.6156 -0.6153 1.1173 1.1215 1.4532 1.4572 1.5935 1.5993 2.0267 2.0364 2.5756 2.5806 2.8767 2.8799 2.9977 3.0006 3.6379 3.6413 4.1305 4.1320 4.1650 4.1662 6.9543 6.9557 8.4513 8.4520 9.2873 9.2882 9.3209 9.3227 k = 0.5000 0.4568 0.0576 ( 7726 PWs) bands (ev): -37.8806 -37.8806 -13.5784 -13.5784 -12.8366 -12.8355 -12.1955 -12.1944 -12.1883 -12.1879 -1.8933 -1.8931 -0.6188 -0.6185 1.1574 1.1615 1.4779 1.4813 1.5732 1.5785 2.0447 2.0530 2.5874 2.5915 2.8666 2.8693 2.9521 2.9547 3.6392 3.6419 4.1337 4.1349 4.1568 4.1575 6.9505 6.9516 8.4601 8.4605 9.2832 9.2838 9.3053 9.3068 k = 0.5000 0.4568 0.0432 ( 7718 PWs) bands (ev): -37.8806 -37.8806 -13.5787 -13.5786 -12.8373 -12.8364 -12.1946 -12.1937 -12.1882 -12.1880 -1.8994 -1.8992 -0.6214 -0.6212 1.1928 1.1964 1.4969 1.4995 1.5537 1.5582 2.0622 2.0687 2.5992 2.6023 2.8584 2.8604 2.9119 2.9141 3.6403 3.6424 4.1359 4.1370 4.1506 4.1509 6.9473 6.9481 8.4675 8.4678 9.2799 9.2804 9.2927 9.2939 k = 0.5000 0.4568 0.0288 ( 7718 PWs) bands (ev): -37.8806 -37.8806 -13.5788 -13.5788 -12.8377 -12.8371 -12.1940 -12.1933 -12.1879 -12.1879 -1.9038 -1.9037 -0.6232 -0.6231 1.2215 1.2244 1.5104 1.5121 1.5369 1.5402 2.0771 2.0817 2.6100 2.6121 2.8517 2.8531 2.8800 2.8817 3.6412 3.6426 4.1370 4.1380 4.1465 4.1469 6.9450 6.9455 8.4732 8.4734 9.2776 9.2779 9.2835 9.2843 k = 0.5000 0.4568 0.0144 ( 7718 PWs) bands (ev): -37.8806 -37.8806 -13.5789 -13.5789 -12.8379 -12.8376 -12.1936 -12.1933 -12.1878 -12.1878 -1.9064 -1.9063 -0.6243 -0.6242 1.2410 1.2426 1.5186 1.5190 1.5257 1.5271 2.0876 2.0899 2.6183 2.6193 2.8457 2.8463 2.8609 2.8619 3.6420 3.6427 4.1371 4.1378 4.1447 4.1452 6.9436 6.9439 8.4768 8.4769 9.2760 9.2762 9.2781 9.2784 k = 0.5000 0.4568-0.0000 ( 7720 PWs) bands (ev): -37.8806 -37.8806 -13.5789 -13.5789 -12.8378 -12.8378 -12.1934 -12.1934 -12.1877 -12.1877 -1.9073 -1.9073 -0.6246 -0.6246 1.2486 1.2486 1.5205 1.5205 1.5227 1.5227 2.0920 2.0920 2.6217 2.6217 2.8421 2.8421 2.8561 2.8561 3.6424 3.6424 4.1372 4.1372 4.1446 4.1446 6.9432 6.9432 8.4781 8.4781 9.2752 9.2752 9.2767 9.2767 k = 0.0000 0.0000 0.7413 ( 7718 PWs) bands (ev): -37.8805 -37.8805 -13.5413 -13.5413 -12.8541 -12.8541 -12.2818 -12.2818 -12.0413 -12.0413 -1.9883 -1.9883 -1.1384 -1.1384 0.5082 0.5082 0.6300 0.6300 1.7703 1.7703 2.1953 2.1953 2.4703 2.4703 3.1709 3.1709 3.7060 3.7060 3.8194 3.8194 4.5316 4.5316 4.7892 4.7892 6.2502 6.2502 8.6962 8.6962 9.7366 9.7366 10.5352 10.5352 k = 0.0104 0.0095 0.7413 ( 7718 PWs) bands (ev): -37.8805 -37.8805 -13.5413 -13.5413 -12.8542 -12.8538 -12.2820 -12.2817 -12.0413 -12.0413 -1.9875 -1.9874 -1.1375 -1.1375 0.5044 0.5045 0.6277 0.6280 1.7733 1.7741 2.1964 2.1972 2.4703 2.4703 3.1700 3.1704 3.7067 3.7074 3.8192 3.8199 4.5308 4.5310 4.7878 4.7879 6.2508 6.2511 8.6959 8.6962 9.7374 9.7375 10.5344 10.5344 k = 0.0208 0.0190 0.7413 ( 7716 PWs) bands (ev): -37.8805 -37.8805 -13.5413 -13.5413 -12.8541 -12.8535 -12.2824 -12.2817 -12.0413 -12.0413 -1.9849 -1.9848 -1.1349 -1.1349 0.4934 0.4936 0.6210 0.6216 1.7829 1.7846 2.2007 2.2022 2.4703 2.4704 3.1678 3.1685 3.7096 3.7110 3.8194 3.8206 4.5286 4.5290 4.7840 4.7842 6.2529 6.2534 8.6954 8.6958 9.7398 9.7400 10.5321 10.5322 k = 0.0312 0.0286 0.7413 ( 7732 PWs) bands (ev): -37.8805 -37.8805 -13.5412 -13.5412 -12.8540 -12.8531 -12.2830 -12.2819 -12.0414 -12.0414 -1.9806 -1.9804 -1.1306 -1.1305 0.4756 0.4759 0.6102 0.6110 1.7987 1.8012 2.2079 2.2101 2.4704 2.4706 3.1642 3.1652 3.7147 3.7168 3.8199 3.8217 4.5250 4.5255 4.7776 4.7779 6.2563 6.2571 8.6945 8.6951 9.7439 9.7442 10.5283 10.5284 k = 0.0417 0.0381 0.7413 ( 7736 PWs) bands (ev): -37.8805 -37.8805 -13.5412 -13.5412 -12.8538 -12.8525 -12.2837 -12.2823 -12.0415 -12.0415 -1.9747 -1.9743 -1.1246 -1.1245 0.4518 0.4520 0.5954 0.5965 1.8201 1.8234 2.2179 2.2208 2.4705 2.4708 3.1593 3.1606 3.7218 3.7246 3.8207 3.8232 4.5199 4.5207 4.7689 4.7692 6.2611 6.2621 8.6933 8.6942 9.7496 9.7500 10.5230 10.5230 k = 0.0521 0.0476 0.7413 ( 7732 PWs) bands (ev): -37.8805 -37.8805 -13.5411 -13.5411 -12.8535 -12.8519 -12.2845 -12.2827 -12.0417 -12.0417 -1.9671 -1.9667 -1.1169 -1.1169 0.4226 0.4228 0.5769 0.5783 1.8463 1.8502 2.2305 2.2341 2.4706 2.4710 3.1532 3.1547 3.7311 3.7344 3.8219 3.8250 4.5135 4.5144 4.7578 4.7583 6.2671 6.2683 8.6919 8.6930 9.7569 9.7574 10.5162 10.5163 k = 0.0625 0.0571 0.7413 ( 7728 PWs) bands (ev): -37.8805 -37.8805 -13.5410 -13.5410 -12.8530 -12.8511 -12.2854 -12.2833 -12.0419 -12.0418 -1.9580 -1.9574 -1.1077 -1.1077 0.3890 0.3892 0.5552 0.5568 1.8763 1.8809 2.2453 2.2495 2.4707 2.4712 3.1459 3.1476 3.7423 3.7461 3.8234 3.8272 4.5056 4.5067 4.7446 4.7452 6.2742 6.2757 8.6902 8.6915 9.7658 9.7663 10.5080 10.5080 k = 0.0729 0.0666 0.7413 ( 7736 PWs) bands (ev): -37.8805 -37.8805 -13.5409 -13.5409 -12.8525 -12.8503 -12.2864 -12.2840 -12.0421 -12.0420 -1.9474 -1.9468 -1.0970 -1.0970 0.3519 0.3520 0.5306 0.5323 1.9093 1.9146 2.2620 2.2669 2.4708 2.4714 3.1376 3.1394 3.7553 3.7596 3.8255 3.8299 4.4964 4.4977 4.7295 4.7302 6.2822 6.2839 8.6883 8.6897 9.7761 9.7768 10.4983 10.4984 k = 0.0833 0.0761 0.7413 ( 7736 PWs) bands (ev): -37.8805 -37.8805 -13.5408 -13.5408 -12.8519 -12.8494 -12.2876 -12.2848 -12.0423 -12.0422 -1.9355 -1.9348 -1.0849 -1.0848 0.3121 0.3121 0.5034 0.5054 1.9445 1.9504 2.2803 2.2859 2.4709 2.4716 3.1283 3.1301 3.7701 3.7749 3.8279 3.8330 4.4858 4.4872 4.7126 4.7134 6.2911 6.2930 8.6861 8.6878 9.7879 9.7887 10.4873 10.4874 k = 0.0938 0.0857 0.7413 ( 7742 PWs) bands (ev): -37.8805 -37.8805 -13.5407 -13.5407 -12.8513 -12.8485 -12.2888 -12.2857 -12.0425 -12.0425 -1.9224 -1.9216 -1.0715 -1.0714 0.2704 0.2705 0.4743 0.4764 1.9812 1.9877 2.3000 2.3061 2.4708 2.4717 3.1181 3.1199 3.7866 3.7917 3.8310 3.8366 4.4738 4.4755 4.6941 4.6950 6.3005 6.3026 8.6838 8.6857 9.8011 9.8020 10.4749 10.4751 k = 0.1042 0.0952 0.7413 ( 7744 PWs) bands (ev): -37.8805 -37.8805 -13.5406 -13.5406 -12.8505 -12.8475 -12.2900 -12.2866 -12.0427 -12.0427 -1.9083 -1.9073 -1.0569 -1.0569 0.2274 0.2277 0.4435 0.4457 2.0186 2.0257 2.3205 2.3272 2.4707 2.4716 3.1072 3.1089 3.8045 3.8099 3.8346 3.8408 4.4606 4.4624 4.6743 4.6753 6.3104 6.3127 8.6814 8.6834 9.8156 9.8166 10.4613 10.4615 k = 0.1146 0.1047 0.7413 ( 7742 PWs) bands (ev): -37.8805 -37.8805 -13.5405 -13.5405 -12.8498 -12.8465 -12.2913 -12.2876 -12.0430 -12.0430 -1.8932 -1.8922 -1.0413 -1.0413 0.1840 0.1844 0.4117 0.4140 2.0563 2.0639 2.3418 2.3490 2.4704 2.4715 3.0956 3.0972 3.8233 3.8291 3.8393 3.8460 4.4460 4.4480 4.6535 4.6546 6.3206 6.3231 8.6788 8.6811 9.8312 9.8324 10.4465 10.4468 k = 0.1250 0.1142 0.7413 ( 7734 PWs) bands (ev): -37.8805 -37.8805 -13.5404 -13.5403 -12.8490 -12.8454 -12.2926 -12.2886 -12.0433 -12.0432 -1.8776 -1.8764 -1.0249 -1.0249 0.1408 0.1413 0.3791 0.3815 2.0935 2.1016 2.3633 2.3711 2.4698 2.4711 3.0835 3.0850 3.8390 3.8460 3.8490 3.8552 4.4302 4.4324 4.6319 4.6331 6.3309 6.3335 8.6762 8.6786 9.8480 9.8493 10.4306 10.4310 k = 0.1354 0.1237 0.7413 ( 7738 PWs) bands (ev): -37.8805 -37.8805 -13.5403 -13.5402 -12.8482 -12.8444 -12.2939 -12.2897 -12.0435 -12.0435 -1.8615 -1.8602 -1.0079 -1.0079 0.0982 0.0990 0.3464 0.3489 2.1300 2.1386 2.3849 2.3933 2.4691 2.4705 3.0711 3.0723 3.8462 3.8543 3.8689 3.8748 4.4132 4.4156 4.6098 4.6111 6.3411 6.3438 8.6736 8.6762 9.8658 9.8672 10.4138 10.4142 k = 0.1458 0.1332 0.7413 ( 7734 PWs) bands (ev): -37.8805 -37.8805 -13.5401 -13.5401 -12.8474 -12.8434 -12.2952 -12.2907 -12.0438 -12.0437 -1.8452 -1.8439 -0.9906 -0.9906 0.0570 0.0579 0.3139 0.3165 2.1653 2.1743 2.4062 2.4152 2.4679 2.4695 3.0584 3.0593 3.8521 3.8608 3.8916 3.8976 4.3950 4.3975 4.5875 4.5889 6.3510 6.3539 8.6710 8.6737 9.8844 9.8860 10.3960 10.3965 k = 0.1562 0.1428 0.7413 ( 7730 PWs) bands (ev): -37.8805 -37.8805 -13.5400 -13.5400 -12.8467 -12.8424 -12.2964 -12.2917 -12.0440 -12.0440 -1.8291 -1.8276 -0.9731 -0.9731 0.0176 0.0187 0.2823 0.2849 2.1990 2.2084 2.4270 2.4364 2.4664 2.4683 3.0457 3.0463 3.8581 3.8674 3.9155 3.9216 4.3757 4.3784 4.5655 4.5669 6.3605 6.3636 8.6685 8.6713 9.9038 9.9055 10.3775 10.3781 k = 0.1667 0.1523 0.7413 ( 7738 PWs) bands (ev): -37.8805 -37.8805 -13.5399 -13.5399 -12.8460 -12.8415 -12.2976 -12.2926 -12.0442 -12.0442 -1.8133 -1.8117 -0.9560 -0.9559 -0.0194 -0.0182 0.2519 0.2545 2.2309 2.2406 2.4468 2.4564 2.4646 2.4670 3.0331 3.0333 3.8644 3.8742 3.9403 3.9464 4.3553 4.3582 4.5440 4.5455 6.3695 6.3727 8.6661 8.6690 9.9236 9.9255 10.3584 10.3592 k = 0.1771 0.1618 0.7413 ( 7744 PWs) bands (ev): -37.8805 -37.8805 -13.5398 -13.5398 -12.8453 -12.8407 -12.2986 -12.2935 -12.0444 -12.0444 -1.7983 -1.7966 -0.9394 -0.9393 -0.0536 -0.0522 0.2232 0.2260 2.2606 2.2706 2.4603 2.4629 2.4673 2.4773 3.0208 3.0209 3.8708 3.8811 3.9657 3.9718 4.3340 4.3371 4.5235 4.5250 6.3778 6.3810 8.6639 8.6669 9.9437 9.9458 10.3389 10.3399 k = 0.1875 0.1713 0.7413 ( 7736 PWs) bands (ev): -37.8805 -37.8805 -13.5397 -13.5397 -12.8447 -12.8399 -12.2996 -12.2943 -12.0446 -12.0446 -1.7844 -1.7826 -0.9237 -0.9237 -0.0844 -0.0829 0.1969 0.1997 2.2881 2.2984 2.4579 2.4601 2.4838 2.4949 3.0088 3.0094 3.8771 3.8880 3.9916 3.9977 4.3119 4.3151 4.5044 4.5059 6.3852 6.3885 8.6618 8.6650 9.9637 9.9662 10.3194 10.3206 k = 0.1979 0.1808 0.7413 ( 7736 PWs) bands (ev): -37.8805 -37.8805 -13.5396 -13.5396 -12.8441 -12.8392 -12.3005 -12.2951 -12.0448 -12.0448 -1.7718 -1.7700 -0.9095 -0.9094 -0.1114 -0.1097 0.1735 0.1763 2.3131 2.3237 2.4539 2.4561 2.4993 2.5110 2.9978 2.9988 3.8832 3.8944 4.0177 4.0238 4.2890 4.2923 4.4871 4.4887 6.3917 6.3951 8.6600 8.6633 9.9833 9.9860 10.3002 10.3017 k = 0.2083 0.1903 0.7413 ( 7742 PWs) bands (ev): -37.8805 -37.8805 -13.5396 -13.5395 -12.8436 -12.8386 -12.3012 -12.2957 -12.0450 -12.0449 -1.7610 -1.7591 -0.8971 -0.8970 -0.1342 -0.1324 0.1534 0.1562 2.3354 2.3464 2.4490 2.4511 2.5127 2.5249 2.9881 2.9895 3.8887 3.9004 4.0438 4.0500 4.2656 4.2690 4.4721 4.4737 6.3971 6.4006 8.6585 8.6618 10.0019 10.0049 10.2819 10.2837 k = 0.2188 0.1999 0.7413 ( 7744 PWs) bands (ev): -37.8805 -37.8805 -13.5395 -13.5395 -12.8433 -12.8382 -12.3018 -12.2961 -12.0451 -12.0450 -1.7523 -1.7503 -0.8870 -0.8868 -0.1523 -0.1505 0.1372 0.1400 2.3549 2.3666 2.4432 2.4449 2.5237 2.5363 2.9800 2.9818 3.8934 3.9054 4.0695 4.0758 4.2421 4.2454 4.4599 4.4614 6.4015 6.4050 8.6573 8.6606 10.0185 10.0220 10.2653 10.2675 k = 0.2292 0.2094 0.7413 ( 7744 PWs) bands (ev): -37.8805 -37.8805 -13.5395 -13.5394 -12.8430 -12.8379 -12.3022 -12.2965 -12.0451 -12.0451 -1.7458 -1.7437 -0.8794 -0.8793 -0.1655 -0.1636 0.1252 0.1281 2.3712 2.3841 2.4368 2.4375 2.5318 2.5447 2.9740 2.9760 3.8970 3.9092 4.0940 4.1005 4.2192 4.2223 4.4509 4.4524 6.4046 6.4081 8.6564 8.6598 10.0322 10.0360 10.2516 10.2542 k = 0.2396 0.2189 0.7413 ( 7748 PWs) bands (ev): -37.8805 -37.8805 -13.5395 -13.5394 -12.8428 -12.8376 -12.3025 -12.2967 -12.0452 -12.0451 -1.7419 -1.7398 -0.8747 -0.8746 -0.1736 -0.1716 0.1179 0.1208 2.3832 2.3983 2.4294 2.4308 2.5368 2.5499 2.9702 2.9724 3.8992 3.9116 4.1148 4.1219 4.1994 4.2019 4.4453 4.4468 6.4065 6.4101 8.6558 8.6593 10.0413 10.0455 10.2423 10.2452 k = 0.2500 0.2284 0.7413 ( 7760 PWs) bands (ev): -37.8805 -37.8805 -13.5395 -13.5394 -12.8428 -12.8376 -12.3025 -12.2968 -12.0452 -12.0452 -1.7405 -1.7384 -0.8731 -0.8730 -0.1763 -0.1743 0.1154 0.1183 2.3880 2.4056 2.4242 2.4280 2.5385 2.5517 2.9689 2.9712 3.9000 3.9124 4.1245 4.1321 4.1900 4.1920 4.4434 4.4449 6.4071 6.4107 8.6557 8.6591 10.0445 10.0489 10.2390 10.2420 Writing output data file LiSiBO4.save init_run : 0.89s CPU 0.53s WALL ( 1 calls) electrons : 346.88s CPU 218.49s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 346.87s CPU 218.48s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.13s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.56s CPU 0.73s WALL ( 374 calls) cegterg : 290.93s CPU 186.30s WALL ( 374 calls) Called by sum_band: Called by *egterg: h_psi : 255.73s CPU 150.56s WALL ( 5086 calls) s_psi : 7.40s CPU 4.88s WALL ( 5086 calls) g_psi : 0.54s CPU 0.36s WALL ( 4338 calls) cdiaghg : 44.72s CPU 34.52s WALL ( 4712 calls) cegterg:over : 11.04s CPU 7.92s WALL ( 4338 calls) cegterg:upda : 9.86s CPU 6.98s WALL ( 4338 calls) cegterg:last : 4.60s CPU 3.61s WALL ( 1122 calls) cdiaghg:chol : 2.60s CPU 2.00s WALL ( 4712 calls) cdiaghg:inve : 1.29s CPU 1.05s WALL ( 4712 calls) cdiaghg:para : 2.49s CPU 1.92s WALL ( 9424 calls) Called by h_psi: h_psi:vloc : 236.23s CPU 137.86s WALL ( 5086 calls) h_psi:vnl : 18.94s CPU 12.34s WALL ( 5086 calls) add_vuspsi : 9.67s CPU 6.13s WALL ( 5086 calls) General routines calbec : 9.24s CPU 6.20s WALL ( 5086 calls) fft : 0.08s CPU 0.05s WALL ( 15 calls) fftw : 224.59s CPU 130.38s WALL ( 664252 calls) davcio : 0.42s CPU 1.46s WALL ( 748 calls) Parallel routines fft_scatter : 85.16s CPU 54.41s WALL ( 664267 calls) PWSCF : 6m11.33s CPU 4m37.81s WALL This run was terminated on: 2:58:24 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=