Program PWSCF v.5.4.0 starts on 10Feb2017 at 15:42:37 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: ./Na2CdPb.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D 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 119 50 14 5166 1391 211 Max 121 51 15 5169 1417 213 Sum 4303 1801 511 186029 50557 7631 bravais-lattice index = 14 lattice parameter (alat) = 9.8748 a.u. unit-cell volume = 680.8788 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.874799 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pb read from file: /users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 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 atomic species valence mass pseudopotential Cd 12.00 112.41100 Cd( 1.00) Pb 14.00 207.20000 Pb( 1.00) Na 9.00 22.98980 Na( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 2 3 120 deg rotation - cryst. axis [0,0,1] -2C3 -2 -3 120 deg rotation - cryst. axis [0,0,1] E 3s_v 4 5 -6 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 6 -4 -5 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 291 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 2) = ( 0.0116279 -0.0067134 0.0094941), wk = 0.0034364 k( 3) = ( 0.0232558 -0.0134267 0.0189883), wk = 0.0034364 k( 4) = ( 0.0348837 -0.0201401 0.0284824), wk = 0.0034364 k( 5) = ( 0.0465116 -0.0268535 0.0379766), wk = 0.0034364 k( 6) = ( 0.0581395 -0.0335669 0.0474707), wk = 0.0034364 k( 7) = ( 0.0697674 -0.0402803 0.0569649), wk = 0.0034364 k( 8) = ( 0.0813954 -0.0469936 0.0664590), wk = 0.0034364 k( 9) = ( 0.0930233 -0.0537070 0.0759532), wk = 0.0034364 k( 10) = ( 0.1046512 -0.0604204 0.0854473), wk = 0.0034364 k( 11) = ( 0.1162791 -0.0671338 0.0949415), wk = 0.0034364 k( 12) = ( 0.1279070 -0.0738471 0.1044356), wk = 0.0034364 k( 13) = ( 0.1395349 -0.0805605 0.1139298), wk = 0.0034364 k( 14) = ( 0.1511628 -0.0872739 0.1234239), wk = 0.0034364 k( 15) = ( 0.1627907 -0.0939873 0.1329180), wk = 0.0034364 k( 16) = ( 0.1744186 -0.1007006 0.1424122), wk = 0.0034364 k( 17) = ( 0.1860465 -0.1074140 0.1519063), wk = 0.0034364 k( 18) = ( 0.1976744 -0.1141274 0.1614005), wk = 0.0034364 k( 19) = ( 0.2093023 -0.1208408 0.1708946), wk = 0.0034364 k( 20) = ( 0.2209302 -0.1275541 0.1803888), wk = 0.0034364 k( 21) = ( 0.2325581 -0.1342675 0.1898829), wk = 0.0034364 k( 22) = ( 0.2441860 -0.1409809 0.1993771), wk = 0.0034364 k( 23) = ( 0.2558140 -0.1476943 0.2088712), wk = 0.0034364 k( 24) = ( 0.2674419 -0.1544076 0.2183654), wk = 0.0034364 k( 25) = ( 0.2790698 -0.1611210 0.2278595), wk = 0.0034364 k( 26) = ( 0.2906977 -0.1678344 0.2373537), wk = 0.0034364 k( 27) = ( 0.3023256 -0.1745478 0.2468478), wk = 0.0034364 k( 28) = ( 0.3139535 -0.1812611 0.2563420), wk = 0.0034364 k( 29) = ( 0.3255814 -0.1879745 0.2658361), wk = 0.0034364 k( 30) = ( 0.3372093 -0.1946879 0.2753302), wk = 0.0034364 k( 31) = ( 0.3488372 -0.2014013 0.2848244), wk = 0.0034364 k( 32) = ( 0.3604651 -0.2081146 0.2943185), wk = 0.0034364 k( 33) = ( 0.3720930 -0.2148280 0.3038127), wk = 0.0034364 k( 34) = ( 0.3837209 -0.2215414 0.3133068), wk = 0.0034364 k( 35) = ( 0.3953488 -0.2282548 0.3228010), wk = 0.0034364 k( 36) = ( 0.4069767 -0.2349681 0.3322951), wk = 0.0034364 k( 37) = ( 0.4186047 -0.2416815 0.3417893), wk = 0.0034364 k( 38) = ( 0.4302326 -0.2483949 0.3512834), wk = 0.0034364 k( 39) = ( 0.4418605 -0.2551083 0.3607776), wk = 0.0034364 k( 40) = ( 0.4534884 -0.2618216 0.3702717), wk = 0.0034364 k( 41) = ( 0.4651163 -0.2685350 0.3797659), wk = 0.0034364 k( 42) = ( 0.4767442 -0.2752484 0.3892600), wk = 0.0034364 k( 43) = ( 0.4883721 -0.2819618 0.3987541), wk = 0.0034364 k( 44) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0034364 k( 45) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0034364 k( 46) = ( 0.5000000 -0.2755535 0.4175267), wk = 0.0034364 k( 47) = ( 0.5000000 -0.2624319 0.4268050), wk = 0.0034364 k( 48) = ( 0.5000000 -0.2493103 0.4360834), wk = 0.0034364 k( 49) = ( 0.5000000 -0.2361887 0.4453618), wk = 0.0034364 k( 50) = ( 0.5000000 -0.2230672 0.4546401), wk = 0.0034364 k( 51) = ( 0.5000000 -0.2099456 0.4639185), wk = 0.0034364 k( 52) = ( 0.5000000 -0.1968240 0.4731969), wk = 0.0034364 k( 53) = ( 0.5000000 -0.1837024 0.4824753), wk = 0.0034364 k( 54) = ( 0.5000000 -0.1705808 0.4917536), wk = 0.0034364 k( 55) = ( 0.5000000 -0.1574592 0.5010320), wk = 0.0034364 k( 56) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0034364 k( 57) = ( 0.5000000 -0.1312160 0.5195887), wk = 0.0034364 k( 58) = ( 0.5000000 -0.1180944 0.5288671), wk = 0.0034364 k( 59) = ( 0.5000000 -0.1049728 0.5381455), wk = 0.0034364 k( 60) = ( 0.5000000 -0.0918512 0.5474238), wk = 0.0034364 k( 61) = ( 0.5000000 -0.0787296 0.5567022), wk = 0.0034364 k( 62) = ( 0.5000000 -0.0656080 0.5659806), wk = 0.0034364 k( 63) = ( 0.5000000 -0.0524864 0.5752590), wk = 0.0034364 k( 64) = ( 0.5000000 -0.0393648 0.5845373), wk = 0.0034364 k( 65) = ( 0.5000000 -0.0262432 0.5938157), wk = 0.0034364 k( 66) = ( 0.5000000 -0.0131216 0.6030941), wk = 0.0034364 k( 67) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0034364 k( 68) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0034364 k( 69) = ( 0.4921875 0.0135316 0.6123724), wk = 0.0034364 k( 70) = ( 0.4843750 0.0270633 0.6123724), wk = 0.0034364 k( 71) = ( 0.4765625 0.0405949 0.6123724), wk = 0.0034364 k( 72) = ( 0.4687500 0.0541266 0.6123724), wk = 0.0034364 k( 73) = ( 0.4609375 0.0676582 0.6123724), wk = 0.0034364 k( 74) = ( 0.4531250 0.0811899 0.6123724), wk = 0.0034364 k( 75) = ( 0.4453125 0.0947215 0.6123724), wk = 0.0034364 k( 76) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0034364 k( 77) = ( 0.4296875 0.1217848 0.6123724), wk = 0.0034364 k( 78) = ( 0.4218750 0.1353165 0.6123724), wk = 0.0034364 k( 79) = ( 0.4140625 0.1488481 0.6123724), wk = 0.0034364 k( 80) = ( 0.4062500 0.1623798 0.6123724), wk = 0.0034364 k( 81) = ( 0.3984375 0.1759114 0.6123724), wk = 0.0034364 k( 82) = ( 0.3906250 0.1894431 0.6123724), wk = 0.0034364 k( 83) = ( 0.3828125 0.2029747 0.6123724), wk = 0.0034364 k( 84) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0034364 k( 85) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0034364 k( 86) = ( 0.3668478 0.2117997 0.5990600), wk = 0.0034364 k( 87) = ( 0.3586956 0.2070930 0.5857475), wk = 0.0034364 k( 88) = ( 0.3505435 0.2023864 0.5724351), wk = 0.0034364 k( 89) = ( 0.3423913 0.1976797 0.5591227), wk = 0.0034364 k( 90) = ( 0.3342391 0.1929731 0.5458102), wk = 0.0034364 k( 91) = ( 0.3260870 0.1882664 0.5324978), wk = 0.0034364 k( 92) = ( 0.3179348 0.1835597 0.5191853), wk = 0.0034364 k( 93) = ( 0.3097826 0.1788531 0.5058729), wk = 0.0034364 k( 94) = ( 0.3016304 0.1741464 0.4925604), wk = 0.0034364 k( 95) = ( 0.2934783 0.1694398 0.4792480), wk = 0.0034364 k( 96) = ( 0.2853261 0.1647331 0.4659355), wk = 0.0034364 k( 97) = ( 0.2771739 0.1600264 0.4526231), wk = 0.0034364 k( 98) = ( 0.2690217 0.1553198 0.4393107), wk = 0.0034364 k( 99) = ( 0.2608696 0.1506131 0.4259982), wk = 0.0034364 k( 100) = ( 0.2527174 0.1459065 0.4126858), wk = 0.0034364 k( 101) = ( 0.2445652 0.1411998 0.3993733), wk = 0.0034364 k( 102) = ( 0.2364130 0.1364931 0.3860609), wk = 0.0034364 k( 103) = ( 0.2282609 0.1317865 0.3727484), wk = 0.0034364 k( 104) = ( 0.2201087 0.1270798 0.3594360), wk = 0.0034364 k( 105) = ( 0.2119565 0.1223732 0.3461235), wk = 0.0034364 k( 106) = ( 0.2038043 0.1176665 0.3328111), wk = 0.0034364 k( 107) = ( 0.1956522 0.1129598 0.3194987), wk = 0.0034364 k( 108) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0034364 k( 109) = ( 0.1793478 0.1035465 0.2928738), wk = 0.0034364 k( 110) = ( 0.1711957 0.0988399 0.2795613), wk = 0.0034364 k( 111) = ( 0.1630435 0.0941332 0.2662489), wk = 0.0034364 k( 112) = ( 0.1548913 0.0894265 0.2529364), wk = 0.0034364 k( 113) = ( 0.1467391 0.0847199 0.2396240), wk = 0.0034364 k( 114) = ( 0.1385870 0.0800132 0.2263115), wk = 0.0034364 k( 115) = ( 0.1304348 0.0753066 0.2129991), wk = 0.0034364 k( 116) = ( 0.1222826 0.0705999 0.1996867), wk = 0.0034364 k( 117) = ( 0.1141304 0.0658932 0.1863742), wk = 0.0034364 k( 118) = ( 0.1059783 0.0611866 0.1730618), wk = 0.0034364 k( 119) = ( 0.0978261 0.0564799 0.1597493), wk = 0.0034364 k( 120) = ( 0.0896739 0.0517733 0.1464369), wk = 0.0034364 k( 121) = ( 0.0815217 0.0470666 0.1331244), wk = 0.0034364 k( 122) = ( 0.0733696 0.0423599 0.1198120), wk = 0.0034364 k( 123) = ( 0.0652174 0.0376533 0.1064996), wk = 0.0034364 k( 124) = ( 0.0570652 0.0329466 0.0931871), wk = 0.0034364 k( 125) = ( 0.0489130 0.0282400 0.0798747), wk = 0.0034364 k( 126) = ( 0.0407609 0.0235333 0.0665622), wk = 0.0034364 k( 127) = ( 0.0326087 0.0188266 0.0532498), wk = 0.0034364 k( 128) = ( 0.0244565 0.0141200 0.0399373), wk = 0.0034364 k( 129) = ( 0.0163043 0.0094133 0.0266249), wk = 0.0034364 k( 130) = ( 0.0081522 0.0047067 0.0133125), wk = 0.0034364 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 133) = ( 0.0135135 0.0078020 0.0055169), wk = 0.0034364 k( 134) = ( 0.0270270 0.0156041 0.0110337), wk = 0.0034364 k( 135) = ( 0.0405405 0.0234061 0.0165506), wk = 0.0034364 k( 136) = ( 0.0540540 0.0312081 0.0220675), wk = 0.0034364 k( 137) = ( 0.0675676 0.0390102 0.0275843), wk = 0.0034364 k( 138) = ( 0.0810811 0.0468122 0.0331012), wk = 0.0034364 k( 139) = ( 0.0945946 0.0546142 0.0386181), wk = 0.0034364 k( 140) = ( 0.1081081 0.0624162 0.0441350), wk = 0.0034364 k( 141) = ( 0.1216216 0.0702183 0.0496518), wk = 0.0034364 k( 142) = ( 0.1351351 0.0780203 0.0551687), wk = 0.0034364 k( 143) = ( 0.1486486 0.0858223 0.0606856), wk = 0.0034364 k( 144) = ( 0.1621622 0.0936244 0.0662024), wk = 0.0034364 k( 145) = ( 0.1756757 0.1014264 0.0717193), wk = 0.0034364 k( 146) = ( 0.1891892 0.1092284 0.0772362), wk = 0.0034364 k( 147) = ( 0.2027027 0.1170305 0.0827530), wk = 0.0034364 k( 148) = ( 0.2162162 0.1248325 0.0882699), wk = 0.0034364 k( 149) = ( 0.2297297 0.1326345 0.0937868), wk = 0.0034364 k( 150) = ( 0.2432432 0.1404366 0.0993036), wk = 0.0034364 k( 151) = ( 0.2567568 0.1482386 0.1048205), wk = 0.0034364 k( 152) = ( 0.2702703 0.1560406 0.1103374), wk = 0.0034364 k( 153) = ( 0.2837838 0.1638426 0.1158542), wk = 0.0034364 k( 154) = ( 0.2972973 0.1716447 0.1213711), wk = 0.0034364 k( 155) = ( 0.3108108 0.1794467 0.1268880), wk = 0.0034364 k( 156) = ( 0.3243243 0.1872487 0.1324048), wk = 0.0034364 k( 157) = ( 0.3378378 0.1950508 0.1379217), wk = 0.0034364 k( 158) = ( 0.3513514 0.2028528 0.1434386), wk = 0.0034364 k( 159) = ( 0.3648649 0.2106548 0.1489555), wk = 0.0034364 k( 160) = ( 0.3783784 0.2184569 0.1544723), wk = 0.0034364 k( 161) = ( 0.3918919 0.2262589 0.1599892), wk = 0.0034364 k( 162) = ( 0.4054054 0.2340609 0.1655061), wk = 0.0034364 k( 163) = ( 0.4189189 0.2418630 0.1710229), wk = 0.0034364 k( 164) = ( 0.4324324 0.2496650 0.1765398), wk = 0.0034364 k( 165) = ( 0.4459459 0.2574670 0.1820567), wk = 0.0034364 k( 166) = ( 0.4594595 0.2652690 0.1875735), wk = 0.0034364 k( 167) = ( 0.4729730 0.2730711 0.1930904), wk = 0.0034364 k( 168) = ( 0.4864865 0.2808731 0.1986073), wk = 0.0034364 k( 169) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0034364 k( 170) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0034364 k( 171) = ( 0.5046296 0.2753105 0.2116843), wk = 0.0034364 k( 172) = ( 0.5092593 0.2619460 0.2192445), wk = 0.0034364 k( 173) = ( 0.5138889 0.2485814 0.2268046), wk = 0.0034364 k( 174) = ( 0.5185185 0.2352168 0.2343648), wk = 0.0034364 k( 175) = ( 0.5231482 0.2218522 0.2419249), wk = 0.0034364 k( 176) = ( 0.5277778 0.2084876 0.2494851), wk = 0.0034364 k( 177) = ( 0.5324074 0.1951230 0.2570452), wk = 0.0034364 k( 178) = ( 0.5370370 0.1817584 0.2646054), wk = 0.0034364 k( 179) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0034364 k( 180) = ( 0.5462963 0.1550292 0.2797257), wk = 0.0034364 k( 181) = ( 0.5509259 0.1416646 0.2872858), wk = 0.0034364 k( 182) = ( 0.5555556 0.1283001 0.2948460), wk = 0.0034364 k( 183) = ( 0.5601852 0.1149355 0.3024061), wk = 0.0034364 k( 184) = ( 0.5648148 0.1015709 0.3099663), wk = 0.0034364 k( 185) = ( 0.5694444 0.0882063 0.3175264), wk = 0.0034364 k( 186) = ( 0.5740741 0.0748417 0.3250866), wk = 0.0034364 k( 187) = ( 0.5787037 0.0614771 0.3326468), wk = 0.0034364 k( 188) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0034364 k( 189) = ( 0.5879630 0.0347479 0.3477671), wk = 0.0034364 k( 190) = ( 0.5925926 0.0213833 0.3553272), wk = 0.0034364 k( 191) = ( 0.5972222 0.0080188 0.3628874), wk = 0.0034364 k( 192) = ( 0.6018518 -0.0053458 0.3704475), wk = 0.0034364 k( 193) = ( 0.6064815 -0.0187104 0.3780077), wk = 0.0034364 k( 194) = ( 0.6111111 -0.0320750 0.3855678), wk = 0.0034364 k( 195) = ( 0.6157407 -0.0454396 0.3931280), wk = 0.0034364 k( 196) = ( 0.6203704 -0.0588042 0.4006881), wk = 0.0034364 k( 197) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0034364 k( 198) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0034364 k( 199) = ( 0.6171875 -0.0676582 0.4210060), wk = 0.0034364 k( 200) = ( 0.6093750 -0.0631477 0.4337638), wk = 0.0034364 k( 201) = ( 0.6015625 -0.0586371 0.4465216), wk = 0.0034364 k( 202) = ( 0.5937500 -0.0541266 0.4592793), wk = 0.0034364 k( 203) = ( 0.5859375 -0.0496160 0.4720371), wk = 0.0034364 k( 204) = ( 0.5781250 -0.0451055 0.4847948), wk = 0.0034364 k( 205) = ( 0.5703125 -0.0405949 0.4975526), wk = 0.0034364 k( 206) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0034364 k( 207) = ( 0.5546875 -0.0315738 0.5230681), wk = 0.0034364 k( 208) = ( 0.5468750 -0.0270633 0.5358259), wk = 0.0034364 k( 209) = ( 0.5390625 -0.0225527 0.5485836), wk = 0.0034364 k( 210) = ( 0.5312500 -0.0180422 0.5613414), wk = 0.0034364 k( 211) = ( 0.5234375 -0.0135316 0.5740992), wk = 0.0034364 k( 212) = ( 0.5156250 -0.0090211 0.5868569), wk = 0.0034364 k( 213) = ( 0.5078125 -0.0045105 0.5996147), wk = 0.0034364 k( 214) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0034364 k( 215) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0034364 k( 216) = ( 0.5000000 0.0093121 0.5992031), wk = 0.0034364 k( 217) = ( 0.5000000 0.0186242 0.5860338), wk = 0.0034364 k( 218) = ( 0.5000000 0.0279363 0.5728645), wk = 0.0034364 k( 219) = ( 0.5000000 0.0372484 0.5596952), wk = 0.0034364 k( 220) = ( 0.5000000 0.0465605 0.5465259), wk = 0.0034364 k( 221) = ( 0.5000000 0.0558726 0.5333566), wk = 0.0034364 k( 222) = ( 0.5000000 0.0651847 0.5201873), wk = 0.0034364 k( 223) = ( 0.5000000 0.0744968 0.5070180), wk = 0.0034364 k( 224) = ( 0.5000000 0.0838089 0.4938487), wk = 0.0034364 k( 225) = ( 0.5000000 0.0931210 0.4806794), wk = 0.0034364 k( 226) = ( 0.5000000 0.1024331 0.4675101), wk = 0.0034364 k( 227) = ( 0.5000000 0.1117452 0.4543408), wk = 0.0034364 k( 228) = ( 0.5000000 0.1210573 0.4411715), wk = 0.0034364 k( 229) = ( 0.5000000 0.1303694 0.4280022), wk = 0.0034364 k( 230) = ( 0.5000000 0.1396815 0.4148329), wk = 0.0034364 k( 231) = ( 0.5000000 0.1489936 0.4016636), wk = 0.0034364 k( 232) = ( 0.5000000 0.1583057 0.3884943), wk = 0.0034364 k( 233) = ( 0.5000000 0.1676178 0.3753250), wk = 0.0034364 k( 234) = ( 0.5000000 0.1769299 0.3621557), wk = 0.0034364 k( 235) = ( 0.5000000 0.1862420 0.3489864), wk = 0.0034364 k( 236) = ( 0.5000000 0.1955541 0.3358171), wk = 0.0034364 k( 237) = ( 0.5000000 0.2048662 0.3226479), wk = 0.0034364 k( 238) = ( 0.5000000 0.2141783 0.3094785), wk = 0.0034364 k( 239) = ( 0.5000000 0.2234904 0.2963092), wk = 0.0034364 k( 240) = ( 0.5000000 0.2328025 0.2831399), wk = 0.0034364 k( 241) = ( 0.5000000 0.2421146 0.2699706), wk = 0.0034364 k( 242) = ( 0.5000000 0.2514267 0.2568013), wk = 0.0034364 k( 243) = ( 0.5000000 0.2607388 0.2436320), wk = 0.0034364 k( 244) = ( 0.5000000 0.2700509 0.2304627), wk = 0.0034364 k( 245) = ( 0.5000000 0.2793630 0.2172935), wk = 0.0034364 k( 246) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0034364 k( 247) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0034364 k( 248) = ( 0.4953704 0.2860022 0.2192445), wk = 0.0034364 k( 249) = ( 0.4907407 0.2833293 0.2343648), wk = 0.0034364 k( 250) = ( 0.4861111 0.2806564 0.2494851), wk = 0.0034364 k( 251) = ( 0.4814815 0.2779835 0.2646054), wk = 0.0034364 k( 252) = ( 0.4768519 0.2753105 0.2797257), wk = 0.0034364 k( 253) = ( 0.4722222 0.2726376 0.2948460), wk = 0.0034364 k( 254) = ( 0.4675926 0.2699647 0.3099663), wk = 0.0034364 k( 255) = ( 0.4629630 0.2672918 0.3250866), wk = 0.0034364 k( 256) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0034364 k( 257) = ( 0.4537037 0.2619460 0.3553272), wk = 0.0034364 k( 258) = ( 0.4490741 0.2592730 0.3704475), wk = 0.0034364 k( 259) = ( 0.4444444 0.2566001 0.3855678), wk = 0.0034364 k( 260) = ( 0.4398148 0.2539272 0.4006881), wk = 0.0034364 k( 261) = ( 0.4351852 0.2512543 0.4158084), wk = 0.0034364 k( 262) = ( 0.4305556 0.2485814 0.4309287), wk = 0.0034364 k( 263) = ( 0.4259259 0.2459085 0.4460491), wk = 0.0034364 k( 264) = ( 0.4212963 0.2432355 0.4611694), wk = 0.0034364 k( 265) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0034364 k( 266) = ( 0.4120370 0.2378897 0.4914100), wk = 0.0034364 k( 267) = ( 0.4074074 0.2352168 0.5065303), wk = 0.0034364 k( 268) = ( 0.4027778 0.2325439 0.5216506), wk = 0.0034364 k( 269) = ( 0.3981481 0.2298709 0.5367709), wk = 0.0034364 k( 270) = ( 0.3935185 0.2271980 0.5518912), wk = 0.0034364 k( 271) = ( 0.3888889 0.2245251 0.5670115), wk = 0.0034364 k( 272) = ( 0.3842593 0.2218522 0.5821318), wk = 0.0034364 k( 273) = ( 0.3796296 0.2191793 0.5972521), wk = 0.0034364 k( 274) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0034364 k( 275) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0034364 k( 276) = ( 0.6171875 -0.0857004 0.4082483), wk = 0.0034364 k( 277) = ( 0.6093750 -0.0992321 0.4082483), wk = 0.0034364 k( 278) = ( 0.6015625 -0.1127637 0.4082483), wk = 0.0034364 k( 279) = ( 0.5937500 -0.1262954 0.4082483), wk = 0.0034364 k( 280) = ( 0.5859375 -0.1398270 0.4082483), wk = 0.0034364 k( 281) = ( 0.5781250 -0.1533587 0.4082483), wk = 0.0034364 k( 282) = ( 0.5703125 -0.1668903 0.4082483), wk = 0.0034364 k( 283) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0034364 k( 284) = ( 0.5546875 -0.1939536 0.4082483), wk = 0.0034364 k( 285) = ( 0.5468750 -0.2074853 0.4082483), wk = 0.0034364 k( 286) = ( 0.5390625 -0.2210169 0.4082483), wk = 0.0034364 k( 287) = ( 0.5312500 -0.2345485 0.4082483), wk = 0.0034364 k( 288) = ( 0.5234375 -0.2480802 0.4082483), wk = 0.0034364 k( 289) = ( 0.5156250 -0.2616118 0.4082483), wk = 0.0034364 k( 290) = ( 0.5078125 -0.2751435 0.4082483), wk = 0.0034364 k( 291) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0034364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 2) = ( 0.0116279 -0.0000000 0.0116279), wk = 0.0034364 k( 3) = ( 0.0232558 -0.0000000 0.0232558), wk = 0.0034364 k( 4) = ( 0.0348837 -0.0000000 0.0348837), wk = 0.0034364 k( 5) = ( 0.0465116 -0.0000000 0.0465116), wk = 0.0034364 k( 6) = ( 0.0581395 -0.0000000 0.0581395), wk = 0.0034364 k( 7) = ( 0.0697674 -0.0000000 0.0697674), wk = 0.0034364 k( 8) = ( 0.0813954 -0.0000000 0.0813954), wk = 0.0034364 k( 9) = ( 0.0930233 -0.0000000 0.0930233), wk = 0.0034364 k( 10) = ( 0.1046512 -0.0000000 0.1046512), wk = 0.0034364 k( 11) = ( 0.1162791 -0.0000000 0.1162791), wk = 0.0034364 k( 12) = ( 0.1279070 -0.0000000 0.1279070), wk = 0.0034364 k( 13) = ( 0.1395349 -0.0000000 0.1395349), wk = 0.0034364 k( 14) = ( 0.1511628 -0.0000000 0.1511628), wk = 0.0034364 k( 15) = ( 0.1627907 -0.0000000 0.1627907), wk = 0.0034364 k( 16) = ( 0.1744186 -0.0000000 0.1744186), wk = 0.0034364 k( 17) = ( 0.1860465 -0.0000000 0.1860465), wk = 0.0034364 k( 18) = ( 0.1976744 -0.0000000 0.1976744), wk = 0.0034364 k( 19) = ( 0.2093023 -0.0000000 0.2093023), wk = 0.0034364 k( 20) = ( 0.2209302 -0.0000000 0.2209302), wk = 0.0034364 k( 21) = ( 0.2325581 -0.0000000 0.2325581), wk = 0.0034364 k( 22) = ( 0.2441860 -0.0000000 0.2441861), wk = 0.0034364 k( 23) = ( 0.2558140 0.0000000 0.2558140), wk = 0.0034364 k( 24) = ( 0.2674419 -0.0000000 0.2674419), wk = 0.0034364 k( 25) = ( 0.2790698 0.0000000 0.2790698), wk = 0.0034364 k( 26) = ( 0.2906977 -0.0000000 0.2906977), wk = 0.0034364 k( 27) = ( 0.3023256 -0.0000000 0.3023256), wk = 0.0034364 k( 28) = ( 0.3139535 -0.0000000 0.3139535), wk = 0.0034364 k( 29) = ( 0.3255814 -0.0000000 0.3255814), wk = 0.0034364 k( 30) = ( 0.3372093 -0.0000000 0.3372093), wk = 0.0034364 k( 31) = ( 0.3488372 0.0000000 0.3488372), wk = 0.0034364 k( 32) = ( 0.3604651 -0.0000000 0.3604651), wk = 0.0034364 k( 33) = ( 0.3720930 -0.0000000 0.3720930), wk = 0.0034364 k( 34) = ( 0.3837209 -0.0000000 0.3837209), wk = 0.0034364 k( 35) = ( 0.3953488 -0.0000000 0.3953488), wk = 0.0034364 k( 36) = ( 0.4069767 -0.0000000 0.4069767), wk = 0.0034364 k( 37) = ( 0.4186047 0.0000000 0.4186047), wk = 0.0034364 k( 38) = ( 0.4302326 -0.0000000 0.4302326), wk = 0.0034364 k( 39) = ( 0.4418605 -0.0000000 0.4418605), wk = 0.0034364 k( 40) = ( 0.4534884 0.0000000 0.4534884), wk = 0.0034364 k( 41) = ( 0.4651163 -0.0000000 0.4651163), wk = 0.0034364 k( 42) = ( 0.4767442 -0.0000000 0.4767442), wk = 0.0034364 k( 43) = ( 0.4883721 -0.0000000 0.4883721), wk = 0.0034364 k( 44) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034364 k( 45) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034364 k( 46) = ( 0.5000000 0.0113636 0.5113636), wk = 0.0034364 k( 47) = ( 0.5000000 0.0227273 0.5227273), wk = 0.0034364 k( 48) = ( 0.5000000 0.0340909 0.5340909), wk = 0.0034364 k( 49) = ( 0.5000000 0.0454545 0.5454545), wk = 0.0034364 k( 50) = ( 0.5000000 0.0568182 0.5568182), wk = 0.0034364 k( 51) = ( 0.5000000 0.0681818 0.5681818), wk = 0.0034364 k( 52) = ( 0.5000000 0.0795454 0.5795455), wk = 0.0034364 k( 53) = ( 0.5000000 0.0909091 0.5909091), wk = 0.0034364 k( 54) = ( 0.5000000 0.1022727 0.6022727), wk = 0.0034364 k( 55) = ( 0.5000000 0.1136364 0.6136364), wk = 0.0034364 k( 56) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0034364 k( 57) = ( 0.5000000 0.1363636 0.6363636), wk = 0.0034364 k( 58) = ( 0.5000000 0.1477273 0.6477273), wk = 0.0034364 k( 59) = ( 0.5000000 0.1590909 0.6590909), wk = 0.0034364 k( 60) = ( 0.5000000 0.1704545 0.6704545), wk = 0.0034364 k( 61) = ( 0.5000000 0.1818182 0.6818182), wk = 0.0034364 k( 62) = ( 0.5000000 0.1931818 0.6931818), wk = 0.0034364 k( 63) = ( 0.5000000 0.2045454 0.7045455), wk = 0.0034364 k( 64) = ( 0.5000000 0.2159091 0.7159091), wk = 0.0034364 k( 65) = ( 0.5000000 0.2272727 0.7272727), wk = 0.0034364 k( 66) = ( 0.5000000 0.2386364 0.7386364), wk = 0.0034364 k( 67) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0034364 k( 68) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0034364 k( 69) = ( 0.4921875 0.2578125 0.7500000), wk = 0.0034364 k( 70) = ( 0.4843750 0.2656250 0.7500000), wk = 0.0034364 k( 71) = ( 0.4765625 0.2734375 0.7500000), wk = 0.0034364 k( 72) = ( 0.4687500 0.2812500 0.7500000), wk = 0.0034364 k( 73) = ( 0.4609375 0.2890625 0.7500000), wk = 0.0034364 k( 74) = ( 0.4531250 0.2968750 0.7500000), wk = 0.0034364 k( 75) = ( 0.4453125 0.3046875 0.7500000), wk = 0.0034364 k( 76) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0034364 k( 77) = ( 0.4296875 0.3203125 0.7500000), wk = 0.0034364 k( 78) = ( 0.4218750 0.3281250 0.7500000), wk = 0.0034364 k( 79) = ( 0.4140625 0.3359375 0.7500000), wk = 0.0034364 k( 80) = ( 0.4062500 0.3437500 0.7500000), wk = 0.0034364 k( 81) = ( 0.3984375 0.3515625 0.7500000), wk = 0.0034364 k( 82) = ( 0.3906250 0.3593750 0.7500000), wk = 0.0034364 k( 83) = ( 0.3828125 0.3671875 0.7500000), wk = 0.0034364 k( 84) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0034364 k( 85) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0034364 k( 86) = ( 0.3668478 0.3668478 0.7336957), wk = 0.0034364 k( 87) = ( 0.3586956 0.3586956 0.7173913), wk = 0.0034364 k( 88) = ( 0.3505435 0.3505435 0.7010870), wk = 0.0034364 k( 89) = ( 0.3423913 0.3423913 0.6847826), wk = 0.0034364 k( 90) = ( 0.3342391 0.3342391 0.6684783), wk = 0.0034364 k( 91) = ( 0.3260870 0.3260870 0.6521739), wk = 0.0034364 k( 92) = ( 0.3179348 0.3179348 0.6358696), wk = 0.0034364 k( 93) = ( 0.3097826 0.3097826 0.6195652), wk = 0.0034364 k( 94) = ( 0.3016304 0.3016304 0.6032609), wk = 0.0034364 k( 95) = ( 0.2934783 0.2934783 0.5869565), wk = 0.0034364 k( 96) = ( 0.2853261 0.2853261 0.5706522), wk = 0.0034364 k( 97) = ( 0.2771739 0.2771739 0.5543478), wk = 0.0034364 k( 98) = ( 0.2690217 0.2690217 0.5380435), wk = 0.0034364 k( 99) = ( 0.2608696 0.2608696 0.5217391), wk = 0.0034364 k( 100) = ( 0.2527174 0.2527174 0.5054348), wk = 0.0034364 k( 101) = ( 0.2445652 0.2445652 0.4891304), wk = 0.0034364 k( 102) = ( 0.2364130 0.2364130 0.4728261), wk = 0.0034364 k( 103) = ( 0.2282609 0.2282609 0.4565217), wk = 0.0034364 k( 104) = ( 0.2201087 0.2201087 0.4402174), wk = 0.0034364 k( 105) = ( 0.2119565 0.2119565 0.4239130), wk = 0.0034364 k( 106) = ( 0.2038043 0.2038043 0.4076087), wk = 0.0034364 k( 107) = ( 0.1956522 0.1956522 0.3913044), wk = 0.0034364 k( 108) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0034364 k( 109) = ( 0.1793478 0.1793478 0.3586956), wk = 0.0034364 k( 110) = ( 0.1711957 0.1711957 0.3423913), wk = 0.0034364 k( 111) = ( 0.1630435 0.1630435 0.3260870), wk = 0.0034364 k( 112) = ( 0.1548913 0.1548913 0.3097826), wk = 0.0034364 k( 113) = ( 0.1467391 0.1467391 0.2934783), wk = 0.0034364 k( 114) = ( 0.1385870 0.1385870 0.2771739), wk = 0.0034364 k( 115) = ( 0.1304348 0.1304348 0.2608696), wk = 0.0034364 k( 116) = ( 0.1222826 0.1222826 0.2445652), wk = 0.0034364 k( 117) = ( 0.1141304 0.1141304 0.2282609), wk = 0.0034364 k( 118) = ( 0.1059783 0.1059783 0.2119565), wk = 0.0034364 k( 119) = ( 0.0978261 0.0978261 0.1956522), wk = 0.0034364 k( 120) = ( 0.0896739 0.0896739 0.1793478), wk = 0.0034364 k( 121) = ( 0.0815217 0.0815217 0.1630435), wk = 0.0034364 k( 122) = ( 0.0733696 0.0733696 0.1467391), wk = 0.0034364 k( 123) = ( 0.0652174 0.0652174 0.1304348), wk = 0.0034364 k( 124) = ( 0.0570652 0.0570652 0.1141304), wk = 0.0034364 k( 125) = ( 0.0489130 0.0489130 0.0978261), wk = 0.0034364 k( 126) = ( 0.0407609 0.0407609 0.0815217), wk = 0.0034364 k( 127) = ( 0.0326087 0.0326087 0.0652174), wk = 0.0034364 k( 128) = ( 0.0244565 0.0244565 0.0489130), wk = 0.0034364 k( 129) = ( 0.0163043 0.0163043 0.0326087), wk = 0.0034364 k( 130) = ( 0.0081522 0.0081522 0.0163043), wk = 0.0034364 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 133) = ( 0.0135135 0.0135135 0.0135135), wk = 0.0034364 k( 134) = ( 0.0270270 0.0270270 0.0270270), wk = 0.0034364 k( 135) = ( 0.0405405 0.0405405 0.0405405), wk = 0.0034364 k( 136) = ( 0.0540540 0.0540540 0.0540540), wk = 0.0034364 k( 137) = ( 0.0675676 0.0675676 0.0675676), wk = 0.0034364 k( 138) = ( 0.0810811 0.0810811 0.0810811), wk = 0.0034364 k( 139) = ( 0.0945946 0.0945946 0.0945946), wk = 0.0034364 k( 140) = ( 0.1081081 0.1081081 0.1081081), wk = 0.0034364 k( 141) = ( 0.1216216 0.1216216 0.1216216), wk = 0.0034364 k( 142) = ( 0.1351351 0.1351351 0.1351351), wk = 0.0034364 k( 143) = ( 0.1486486 0.1486486 0.1486486), wk = 0.0034364 k( 144) = ( 0.1621622 0.1621622 0.1621622), wk = 0.0034364 k( 145) = ( 0.1756757 0.1756757 0.1756757), wk = 0.0034364 k( 146) = ( 0.1891892 0.1891892 0.1891892), wk = 0.0034364 k( 147) = ( 0.2027027 0.2027027 0.2027027), wk = 0.0034364 k( 148) = ( 0.2162162 0.2162162 0.2162162), wk = 0.0034364 k( 149) = ( 0.2297297 0.2297297 0.2297297), wk = 0.0034364 k( 150) = ( 0.2432432 0.2432432 0.2432432), wk = 0.0034364 k( 151) = ( 0.2567568 0.2567568 0.2567568), wk = 0.0034364 k( 152) = ( 0.2702703 0.2702703 0.2702703), wk = 0.0034364 k( 153) = ( 0.2837838 0.2837838 0.2837838), wk = 0.0034364 k( 154) = ( 0.2972973 0.2972973 0.2972973), wk = 0.0034364 k( 155) = ( 0.3108108 0.3108108 0.3108108), wk = 0.0034364 k( 156) = ( 0.3243243 0.3243243 0.3243243), wk = 0.0034364 k( 157) = ( 0.3378378 0.3378378 0.3378378), wk = 0.0034364 k( 158) = ( 0.3513514 0.3513514 0.3513514), wk = 0.0034364 k( 159) = ( 0.3648649 0.3648649 0.3648649), wk = 0.0034364 k( 160) = ( 0.3783784 0.3783784 0.3783784), wk = 0.0034364 k( 161) = ( 0.3918919 0.3918919 0.3918919), wk = 0.0034364 k( 162) = ( 0.4054054 0.4054054 0.4054054), wk = 0.0034364 k( 163) = ( 0.4189189 0.4189189 0.4189189), wk = 0.0034364 k( 164) = ( 0.4324324 0.4324324 0.4324324), wk = 0.0034364 k( 165) = ( 0.4459459 0.4459459 0.4459459), wk = 0.0034364 k( 166) = ( 0.4594595 0.4594595 0.4594595), wk = 0.0034364 k( 167) = ( 0.4729730 0.4729730 0.4729730), wk = 0.0034364 k( 168) = ( 0.4864865 0.4864865 0.4864865), wk = 0.0034364 k( 169) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 170) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 171) = ( 0.5046296 0.4907407 0.5046296), wk = 0.0034364 k( 172) = ( 0.5092593 0.4814815 0.5092593), wk = 0.0034364 k( 173) = ( 0.5138889 0.4722222 0.5138889), wk = 0.0034364 k( 174) = ( 0.5185185 0.4629630 0.5185185), wk = 0.0034364 k( 175) = ( 0.5231482 0.4537037 0.5231482), wk = 0.0034364 k( 176) = ( 0.5277778 0.4444444 0.5277778), wk = 0.0034364 k( 177) = ( 0.5324074 0.4351852 0.5324074), wk = 0.0034364 k( 178) = ( 0.5370370 0.4259259 0.5370370), wk = 0.0034364 k( 179) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0034364 k( 180) = ( 0.5462963 0.4074074 0.5462963), wk = 0.0034364 k( 181) = ( 0.5509259 0.3981481 0.5509259), wk = 0.0034364 k( 182) = ( 0.5555556 0.3888889 0.5555556), wk = 0.0034364 k( 183) = ( 0.5601852 0.3796296 0.5601852), wk = 0.0034364 k( 184) = ( 0.5648148 0.3703704 0.5648148), wk = 0.0034364 k( 185) = ( 0.5694444 0.3611111 0.5694444), wk = 0.0034364 k( 186) = ( 0.5740741 0.3518518 0.5740741), wk = 0.0034364 k( 187) = ( 0.5787037 0.3425926 0.5787037), wk = 0.0034364 k( 188) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0034364 k( 189) = ( 0.5879630 0.3240741 0.5879630), wk = 0.0034364 k( 190) = ( 0.5925926 0.3148148 0.5925926), wk = 0.0034364 k( 191) = ( 0.5972222 0.3055556 0.5972222), wk = 0.0034364 k( 192) = ( 0.6018518 0.2962963 0.6018518), wk = 0.0034364 k( 193) = ( 0.6064815 0.2870370 0.6064815), wk = 0.0034364 k( 194) = ( 0.6111111 0.2777778 0.6111111), wk = 0.0034364 k( 195) = ( 0.6157407 0.2685185 0.6157407), wk = 0.0034364 k( 196) = ( 0.6203704 0.2592593 0.6203704), wk = 0.0034364 k( 197) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0034364 k( 198) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0034364 k( 199) = ( 0.6171875 0.2500000 0.6328125), wk = 0.0034364 k( 200) = ( 0.6093750 0.2500000 0.6406250), wk = 0.0034364 k( 201) = ( 0.6015625 0.2500000 0.6484375), wk = 0.0034364 k( 202) = ( 0.5937500 0.2500000 0.6562500), wk = 0.0034364 k( 203) = ( 0.5859375 0.2500000 0.6640625), wk = 0.0034364 k( 204) = ( 0.5781250 0.2500000 0.6718750), wk = 0.0034364 k( 205) = ( 0.5703125 0.2500000 0.6796875), wk = 0.0034364 k( 206) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0034364 k( 207) = ( 0.5546875 0.2500000 0.6953125), wk = 0.0034364 k( 208) = ( 0.5468750 0.2500000 0.7031250), wk = 0.0034364 k( 209) = ( 0.5390625 0.2500000 0.7109375), wk = 0.0034364 k( 210) = ( 0.5312500 0.2500000 0.7187500), wk = 0.0034364 k( 211) = ( 0.5234375 0.2500000 0.7265625), wk = 0.0034364 k( 212) = ( 0.5156250 0.2500000 0.7343750), wk = 0.0034364 k( 213) = ( 0.5078125 0.2500000 0.7421875), wk = 0.0034364 k( 214) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0034364 k( 215) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0034364 k( 216) = ( 0.5000000 0.2580645 0.7419355), wk = 0.0034364 k( 217) = ( 0.5000000 0.2661290 0.7338710), wk = 0.0034364 k( 218) = ( 0.5000000 0.2741936 0.7258064), wk = 0.0034364 k( 219) = ( 0.5000000 0.2822581 0.7177419), wk = 0.0034364 k( 220) = ( 0.5000000 0.2903226 0.7096774), wk = 0.0034364 k( 221) = ( 0.5000000 0.2983871 0.7016129), wk = 0.0034364 k( 222) = ( 0.5000000 0.3064516 0.6935484), wk = 0.0034364 k( 223) = ( 0.5000000 0.3145161 0.6854839), wk = 0.0034364 k( 224) = ( 0.5000000 0.3225807 0.6774194), wk = 0.0034364 k( 225) = ( 0.5000000 0.3306452 0.6693548), wk = 0.0034364 k( 226) = ( 0.5000000 0.3387097 0.6612903), wk = 0.0034364 k( 227) = ( 0.5000000 0.3467742 0.6532258), wk = 0.0034364 k( 228) = ( 0.5000000 0.3548387 0.6451613), wk = 0.0034364 k( 229) = ( 0.5000000 0.3629032 0.6370968), wk = 0.0034364 k( 230) = ( 0.5000000 0.3709677 0.6290323), wk = 0.0034364 k( 231) = ( 0.5000000 0.3790323 0.6209677), wk = 0.0034364 k( 232) = ( 0.5000000 0.3870968 0.6129032), wk = 0.0034364 k( 233) = ( 0.5000000 0.3951613 0.6048387), wk = 0.0034364 k( 234) = ( 0.5000000 0.4032258 0.5967742), wk = 0.0034364 k( 235) = ( 0.5000000 0.4112903 0.5887097), wk = 0.0034364 k( 236) = ( 0.5000000 0.4193548 0.5806452), wk = 0.0034364 k( 237) = ( 0.5000000 0.4274193 0.5725807), wk = 0.0034364 k( 238) = ( 0.5000000 0.4354839 0.5645161), wk = 0.0034364 k( 239) = ( 0.5000000 0.4435484 0.5564516), wk = 0.0034364 k( 240) = ( 0.5000000 0.4516129 0.5483871), wk = 0.0034364 k( 241) = ( 0.5000000 0.4596774 0.5403226), wk = 0.0034364 k( 242) = ( 0.5000000 0.4677419 0.5322581), wk = 0.0034364 k( 243) = ( 0.5000000 0.4758064 0.5241936), wk = 0.0034364 k( 244) = ( 0.5000000 0.4838710 0.5161290), wk = 0.0034364 k( 245) = ( 0.5000000 0.4919355 0.5080645), wk = 0.0034364 k( 246) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 247) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 248) = ( 0.4953704 0.4953704 0.5092593), wk = 0.0034364 k( 249) = ( 0.4907407 0.4907407 0.5185185), wk = 0.0034364 k( 250) = ( 0.4861111 0.4861111 0.5277778), wk = 0.0034364 k( 251) = ( 0.4814815 0.4814815 0.5370370), wk = 0.0034364 k( 252) = ( 0.4768519 0.4768518 0.5462963), wk = 0.0034364 k( 253) = ( 0.4722222 0.4722222 0.5555556), wk = 0.0034364 k( 254) = ( 0.4675926 0.4675926 0.5648148), wk = 0.0034364 k( 255) = ( 0.4629630 0.4629630 0.5740741), wk = 0.0034364 k( 256) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0034364 k( 257) = ( 0.4537037 0.4537037 0.5925926), wk = 0.0034364 k( 258) = ( 0.4490741 0.4490741 0.6018518), wk = 0.0034364 k( 259) = ( 0.4444444 0.4444444 0.6111111), wk = 0.0034364 k( 260) = ( 0.4398148 0.4398148 0.6203704), wk = 0.0034364 k( 261) = ( 0.4351852 0.4351852 0.6296296), wk = 0.0034364 k( 262) = ( 0.4305556 0.4305556 0.6388889), wk = 0.0034364 k( 263) = ( 0.4259259 0.4259259 0.6481482), wk = 0.0034364 k( 264) = ( 0.4212963 0.4212963 0.6574074), wk = 0.0034364 k( 265) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0034364 k( 266) = ( 0.4120370 0.4120370 0.6759259), wk = 0.0034364 k( 267) = ( 0.4074074 0.4074074 0.6851852), wk = 0.0034364 k( 268) = ( 0.4027778 0.4027778 0.6944444), wk = 0.0034364 k( 269) = ( 0.3981481 0.3981481 0.7037037), wk = 0.0034364 k( 270) = ( 0.3935185 0.3935185 0.7129630), wk = 0.0034364 k( 271) = ( 0.3888889 0.3888889 0.7222222), wk = 0.0034364 k( 272) = ( 0.3842593 0.3842593 0.7314815), wk = 0.0034364 k( 273) = ( 0.3796296 0.3796296 0.7407407), wk = 0.0034364 k( 274) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0034364 k( 275) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0034364 k( 276) = ( 0.6171875 0.2343750 0.6171875), wk = 0.0034364 k( 277) = ( 0.6093750 0.2187500 0.6093750), wk = 0.0034364 k( 278) = ( 0.6015625 0.2031250 0.6015625), wk = 0.0034364 k( 279) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0034364 k( 280) = ( 0.5859375 0.1718750 0.5859375), wk = 0.0034364 k( 281) = ( 0.5781250 0.1562500 0.5781250), wk = 0.0034364 k( 282) = ( 0.5703125 0.1406250 0.5703125), wk = 0.0034364 k( 283) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0034364 k( 284) = ( 0.5546875 0.1093750 0.5546875), wk = 0.0034364 k( 285) = ( 0.5468750 0.0937500 0.5468750), wk = 0.0034364 k( 286) = ( 0.5390625 0.0781250 0.5390625), wk = 0.0034364 k( 287) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0034364 k( 288) = ( 0.5234375 0.0468750 0.5234375), wk = 0.0034364 k( 289) = ( 0.5156250 0.0312500 0.5156250), wk = 0.0034364 k( 290) = ( 0.5078125 0.0156250 0.5078125), wk = 0.0034364 k( 291) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034364 Dense grid: 186029 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 50557 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 362, 52) NL pseudopotentials 0.27 Mb ( 181, 96) Each V/rho on FFT grid 0.29 Mb ( 19200) Each G-vector array 0.04 Mb ( 5169) G-vector shells 0.01 Mb ( 986) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.15 Mb ( 362, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.15 Mb ( 96, 2, 52) The potential is recalculated from file : ./Na2CdPb.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 5.2 secs Computing kpt #: 4 total cpu time spent up to now is 5.9 secs Computing kpt #: 5 total cpu time spent up to now is 6.6 secs Computing kpt #: 6 total cpu time spent up to now is 7.3 secs Computing kpt #: 7 total cpu time spent up to now is 8.0 secs Computing kpt #: 8 total cpu time spent up to now is 8.6 secs Computing kpt #: 9 total cpu time spent up to now is 9.3 secs Computing kpt #: 10 total cpu time spent up to now is 9.9 secs Computing kpt #: 11 total cpu time spent up to now is 10.6 secs Computing kpt #: 12 total cpu time spent up to now is 11.3 secs Computing kpt #: 13 total cpu time spent up to now is 12.0 secs Computing kpt #: 14 total cpu time spent up to now is 12.7 secs Computing kpt #: 15 total cpu time spent up to now is 13.4 secs Computing kpt #: 16 total cpu time spent up to now is 14.2 secs Computing kpt #: 17 total cpu time spent up to now is 15.1 secs Computing kpt #: 18 total cpu time spent up to now is 15.8 secs Computing kpt #: 19 total cpu time spent up to now is 16.7 secs Computing kpt #: 20 total cpu time spent up to now is 17.4 secs Computing kpt #: 21 total cpu time spent up to now is 18.1 secs Computing kpt #: 22 total cpu time spent up to now is 18.8 secs Computing kpt #: 23 total cpu time spent up to now is 19.7 secs Computing kpt #: 24 total cpu time spent up to now is 20.5 secs Computing kpt #: 25 total cpu time spent up to now is 21.3 secs Computing kpt #: 26 total cpu time spent up to now is 22.2 secs Computing kpt #: 27 total cpu time spent up to now is 23.0 secs Computing kpt #: 28 total cpu time spent up to now is 23.9 secs Computing kpt #: 29 total cpu time spent up to now is 24.7 secs Computing kpt #: 30 total cpu time spent up to now is 25.5 secs Computing kpt #: 31 total cpu time spent up to now is 26.5 secs Computing kpt #: 32 total cpu time spent up to now is 27.4 secs Computing kpt #: 33 total cpu time spent up to now is 28.3 secs Computing kpt #: 34 total cpu time spent up to now is 29.2 secs Computing kpt #: 35 total cpu time spent up to now is 30.2 secs Computing kpt #: 36 total cpu time spent up to now is 31.1 secs Computing kpt #: 37 total cpu time spent up to now is 32.0 secs Computing kpt #: 38 total cpu time spent up to now is 32.9 secs Computing kpt #: 39 total cpu time spent up to now is 33.7 secs Computing kpt #: 40 total cpu time spent up to now is 34.6 secs Computing kpt #: 41 total cpu time spent up to now is 35.4 secs Computing kpt #: 42 total cpu time spent up to now is 36.2 secs Computing kpt #: 43 total cpu time spent up to now is 37.0 secs Computing kpt #: 44 total cpu time spent up to now is 37.7 secs Computing kpt #: 45 total cpu time spent up to now is 38.5 secs Computing kpt #: 46 total cpu time spent up to now is 39.3 secs Computing kpt #: 47 total cpu time spent up to now is 40.1 secs Computing kpt #: 48 total cpu time spent up to now is 40.9 secs Computing kpt #: 49 total cpu time spent up to now is 41.7 secs Computing kpt #: 50 total cpu time spent up to now is 42.4 secs Computing kpt #: 51 total cpu time spent up to now is 43.2 secs Computing kpt #: 52 total cpu time spent up to now is 44.1 secs Computing kpt #: 53 total cpu time spent up to now is 44.9 secs Computing kpt #: 54 total cpu time spent up to now is 45.6 secs Computing kpt #: 55 total cpu time spent up to now is 46.3 secs Computing kpt #: 56 total cpu time spent up to now is 47.0 secs Computing kpt #: 57 total cpu time spent up to now is 47.7 secs Computing kpt #: 58 total cpu time spent up to now is 48.3 secs Computing kpt #: 59 total cpu time spent up to now is 49.0 secs Computing kpt #: 60 total cpu time spent up to now is 49.6 secs Computing kpt #: 61 total cpu time spent up to now is 50.3 secs Computing kpt #: 62 total cpu time spent up to now is 50.9 secs Computing kpt #: 63 total cpu time spent up to now is 51.6 secs Computing kpt #: 64 total cpu time spent up to now is 52.3 secs Computing kpt #: 65 total cpu time spent up to now is 53.0 secs Computing kpt #: 66 total cpu time spent up to now is 53.6 secs Computing kpt #: 67 total cpu time spent up to now is 54.2 secs Computing kpt #: 68 total cpu time spent up to now is 54.9 secs Computing kpt #: 69 total cpu time spent up to now is 55.5 secs Computing kpt #: 70 total cpu time spent up to now is 56.1 secs Computing kpt #: 71 total cpu time spent up to now is 56.7 secs Computing kpt #: 72 total cpu time spent up to now is 57.3 secs Computing kpt #: 73 total cpu time spent up to now is 58.0 secs Computing kpt #: 74 total cpu time spent up to now is 58.6 secs Computing kpt #: 75 total cpu time spent up to now is 59.3 secs Computing kpt #: 76 total cpu time spent up to now is 60.0 secs Computing kpt #: 77 total cpu time spent up to now is 60.6 secs Computing kpt #: 78 total cpu time spent up to now is 61.3 secs Computing kpt #: 79 total cpu time spent up to now is 62.0 secs Computing kpt #: 80 total cpu time spent up to now is 62.7 secs Computing kpt #: 81 total cpu time spent up to now is 63.4 secs Computing kpt #: 82 total cpu time spent up to now is 64.2 secs Computing kpt #: 83 total cpu time spent up to now is 65.0 secs Computing kpt #: 84 total cpu time spent up to now is 65.7 secs Computing kpt #: 85 total cpu time spent up to now is 66.4 secs Computing kpt #: 86 total cpu time spent up to now is 67.2 secs Computing kpt #: 87 total cpu time spent up to now is 67.9 secs Computing kpt #: 88 total cpu time spent up to now is 68.7 secs Computing kpt #: 89 total cpu time spent up to now is 69.4 secs Computing kpt #: 90 total cpu time spent up to now is 70.0 secs Computing kpt #: 91 total cpu time spent up to now is 70.8 secs Computing kpt #: 92 total cpu time spent up to now is 71.5 secs Computing kpt #: 93 total cpu time spent up to now is 72.1 secs Computing kpt #: 94 total cpu time spent up to now is 72.8 secs Computing kpt #: 95 total cpu time spent up to now is 73.5 secs Computing kpt #: 96 total cpu time spent up to now is 74.2 secs Computing kpt #: 97 total cpu time spent up to now is 74.8 secs Computing kpt #: 98 total cpu time spent up to now is 75.5 secs Computing kpt #: 99 total cpu time spent up to now is 76.2 secs Computing kpt #: 100 total cpu time spent up to now is 76.9 secs Computing kpt #: 101 total cpu time spent up to now is 77.5 secs Computing kpt #: 102 total cpu time spent up to now is 78.1 secs Computing kpt #: 103 total cpu time spent up to now is 78.8 secs Computing kpt #: 104 total cpu time spent up to now is 79.5 secs Computing kpt #: 105 total cpu time spent up to now is 80.2 secs Computing kpt #: 106 total cpu time spent up to now is 80.8 secs Computing kpt #: 107 total cpu time spent up to now is 81.5 secs Computing kpt #: 108 total cpu time spent up to now is 82.2 secs Computing kpt #: 109 total cpu time spent up to now is 82.9 secs Computing kpt #: 110 total cpu time spent up to now is 83.6 secs Computing kpt #: 111 total cpu time spent up to now is 84.3 secs Computing kpt #: 112 total cpu time spent up to now is 84.9 secs Computing kpt #: 113 total cpu time spent up to now is 85.6 secs Computing kpt #: 114 total cpu time spent up to now is 86.3 secs Computing kpt #: 115 total cpu time spent up to now is 87.0 secs Computing kpt #: 116 total cpu time spent up to now is 87.7 secs Computing kpt #: 117 total cpu time spent up to now is 88.4 secs Computing kpt #: 118 total cpu time spent up to now is 89.1 secs Computing kpt #: 119 total cpu time spent up to now is 89.8 secs Computing kpt #: 120 total cpu time spent up to now is 90.5 secs Computing kpt #: 121 total cpu time spent up to now is 91.2 secs Computing kpt #: 122 total cpu time spent up to now is 91.8 secs Computing kpt #: 123 total cpu time spent up to now is 92.5 secs Computing kpt #: 124 total cpu time spent up to now is 93.2 secs Computing kpt #: 125 total cpu time spent up to now is 93.9 secs Computing kpt #: 126 total cpu time spent up to now is 94.6 secs Computing kpt #: 127 total cpu time spent up to now is 95.5 secs Computing kpt #: 128 total cpu time spent up to now is 96.5 secs Computing kpt #: 129 total cpu time spent up to now is 97.2 secs Computing kpt #: 130 total cpu time spent up to now is 97.9 secs Computing kpt #: 131 total cpu time spent up to now is 98.6 secs Computing kpt #: 132 total cpu time spent up to now is 99.3 secs Computing kpt #: 133 total cpu time spent up to now is 100.0 secs Computing kpt #: 134 total cpu time spent up to now is 100.7 secs Computing kpt #: 135 total cpu time spent up to now is 101.4 secs Computing kpt #: 136 total cpu time spent up to now is 102.1 secs Computing kpt #: 137 total cpu time spent up to now is 102.8 secs Computing kpt #: 138 total cpu time spent up to now is 103.5 secs Computing kpt #: 139 total cpu time spent up to now is 104.2 secs Computing kpt #: 140 total cpu time spent up to now is 104.9 secs Computing kpt #: 141 total cpu time spent up to now is 105.6 secs Computing kpt #: 142 total cpu time spent up to now is 106.3 secs Computing kpt #: 143 total cpu time spent up to now is 106.9 secs Computing kpt #: 144 total cpu time spent up to now is 107.6 secs Computing kpt #: 145 total cpu time spent up to now is 108.3 secs Computing kpt #: 146 total cpu time spent up to now is 108.9 secs Computing kpt #: 147 total cpu time spent up to now is 109.6 secs Computing kpt #: 148 total cpu time spent up to now is 110.3 secs Computing kpt #: 149 total cpu time spent up to now is 111.0 secs Computing kpt #: 150 total cpu time spent up to now is 111.7 secs Computing kpt #: 151 total cpu time spent up to now is 112.4 secs Computing kpt #: 152 total cpu time spent up to now is 113.1 secs Computing kpt #: 153 total cpu time spent up to now is 113.8 secs Computing kpt #: 154 total cpu time spent up to now is 114.5 secs Computing kpt #: 155 total cpu time spent up to now is 115.3 secs Computing kpt #: 156 total cpu time spent up to now is 116.0 secs Computing kpt #: 157 total cpu time spent up to now is 116.8 secs Computing kpt #: 158 total cpu time spent up to now is 117.5 secs Computing kpt #: 159 total cpu time spent up to now is 118.3 secs Computing kpt #: 160 total cpu time spent up to now is 118.9 secs Computing kpt #: 161 total cpu time spent up to now is 119.7 secs Computing kpt #: 162 total cpu time spent up to now is 120.3 secs Computing kpt #: 163 total cpu time spent up to now is 121.0 secs Computing kpt #: 164 total cpu time spent up to now is 121.7 secs Computing kpt #: 165 total cpu time spent up to now is 122.4 secs Computing kpt #: 166 total cpu time spent up to now is 123.0 secs Computing kpt #: 167 total cpu time spent up to now is 123.7 secs Computing kpt #: 168 total cpu time spent up to now is 124.3 secs Computing kpt #: 169 total cpu time spent up to now is 124.9 secs Computing kpt #: 170 total cpu time spent up to now is 125.7 secs Computing kpt #: 171 total cpu time spent up to now is 126.3 secs Computing kpt #: 172 total cpu time spent up to now is 127.0 secs Computing kpt #: 173 total cpu time spent up to now is 127.6 secs Computing kpt #: 174 total cpu time spent up to now is 128.3 secs Computing kpt #: 175 total cpu time spent up to now is 128.9 secs Computing kpt #: 176 total cpu time spent up to now is 129.6 secs Computing kpt #: 177 total cpu time spent up to now is 130.3 secs Computing kpt #: 178 total cpu time spent up to now is 131.0 secs Computing kpt #: 179 total cpu time spent up to now is 131.9 secs Computing kpt #: 180 total cpu time spent up to now is 132.6 secs Computing kpt #: 181 total cpu time spent up to now is 133.4 secs Computing kpt #: 182 total cpu time spent up to now is 134.1 secs Computing kpt #: 183 total cpu time spent up to now is 134.7 secs Computing kpt #: 184 total cpu time spent up to now is 135.4 secs Computing kpt #: 185 total cpu time spent up to now is 136.2 secs Computing kpt #: 186 total cpu time spent up to now is 136.9 secs Computing kpt #: 187 total cpu time spent up to now is 137.5 secs Computing kpt #: 188 total cpu time spent up to now is 138.2 secs Computing kpt #: 189 total cpu time spent up to now is 139.0 secs Computing kpt #: 190 total cpu time spent up to now is 139.6 secs Computing kpt #: 191 total cpu time spent up to now is 140.4 secs Computing kpt #: 192 total cpu time spent up to now is 141.0 secs Computing kpt #: 193 total cpu time spent up to now is 141.8 secs Computing kpt #: 194 total cpu time spent up to now is 142.5 secs Computing kpt #: 195 total cpu time spent up to now is 143.2 secs Computing kpt #: 196 total cpu time spent up to now is 144.0 secs Computing kpt #: 197 total cpu time spent up to now is 144.6 secs Computing kpt #: 198 total cpu time spent up to now is 145.3 secs Computing kpt #: 199 total cpu time spent up to now is 146.0 secs Computing kpt #: 200 total cpu time spent up to now is 146.8 secs Computing kpt #: 201 total cpu time spent up to now is 147.4 secs Computing kpt #: 202 total cpu time spent up to now is 148.2 secs Computing kpt #: 203 total cpu time spent up to now is 148.9 secs Computing kpt #: 204 total cpu time spent up to now is 149.5 secs Computing kpt #: 205 total cpu time spent up to now is 150.2 secs Computing kpt #: 206 total cpu time spent up to now is 150.9 secs Computing kpt #: 207 total cpu time spent up to now is 151.5 secs Computing kpt #: 208 total cpu time spent up to now is 152.2 secs Computing kpt #: 209 total cpu time spent up to now is 152.8 secs Computing kpt #: 210 total cpu time spent up to now is 153.5 secs Computing kpt #: 211 total cpu time spent up to now is 154.1 secs Computing kpt #: 212 total cpu time spent up to now is 154.8 secs Computing kpt #: 213 total cpu time spent up to now is 155.4 secs Computing kpt #: 214 total cpu time spent up to now is 156.1 secs Computing kpt #: 215 total cpu time spent up to now is 156.7 secs Computing kpt #: 216 total cpu time spent up to now is 157.3 secs Computing kpt #: 217 total cpu time spent up to now is 157.9 secs Computing kpt #: 218 total cpu time spent up to now is 158.5 secs Computing kpt #: 219 total cpu time spent up to now is 159.2 secs Computing kpt #: 220 total cpu time spent up to now is 159.9 secs Computing kpt #: 221 total cpu time spent up to now is 160.6 secs Computing kpt #: 222 total cpu time spent up to now is 161.2 secs Computing kpt #: 223 total cpu time spent up to now is 161.9 secs Computing kpt #: 224 total cpu time spent up to now is 162.6 secs Computing kpt #: 225 total cpu time spent up to now is 163.4 secs Computing kpt #: 226 total cpu time spent up to now is 164.0 secs Computing kpt #: 227 total cpu time spent up to now is 164.7 secs Computing kpt #: 228 total cpu time spent up to now is 165.5 secs Computing kpt #: 229 total cpu time spent up to now is 166.2 secs Computing kpt #: 230 total cpu time spent up to now is 166.9 secs Computing kpt #: 231 total cpu time spent up to now is 167.6 secs Computing kpt #: 232 total cpu time spent up to now is 168.4 secs Computing kpt #: 233 total cpu time spent up to now is 169.1 secs Computing kpt #: 234 total cpu time spent up to now is 169.8 secs Computing kpt #: 235 total cpu time spent up to now is 170.5 secs Computing kpt #: 236 total cpu time spent up to now is 171.2 secs Computing kpt #: 237 total cpu time spent up to now is 171.9 secs Computing kpt #: 238 total cpu time spent up to now is 172.6 secs Computing kpt #: 239 total cpu time spent up to now is 173.3 secs Computing kpt #: 240 total cpu time spent up to now is 174.0 secs Computing kpt #: 241 total cpu time spent up to now is 174.7 secs Computing kpt #: 242 total cpu time spent up to now is 175.3 secs Computing kpt #: 243 total cpu time spent up to now is 176.0 secs Computing kpt #: 244 total cpu time spent up to now is 176.6 secs Computing kpt #: 245 total cpu time spent up to now is 177.3 secs Computing kpt #: 246 total cpu time spent up to now is 177.9 secs Computing kpt #: 247 total cpu time spent up to now is 178.6 secs Computing kpt #: 248 total cpu time spent up to now is 179.2 secs Computing kpt #: 249 total cpu time spent up to now is 179.8 secs Computing kpt #: 250 total cpu time spent up to now is 180.5 secs Computing kpt #: 251 total cpu time spent up to now is 181.2 secs Computing kpt #: 252 total cpu time spent up to now is 181.9 secs Computing kpt #: 253 total cpu time spent up to now is 182.6 secs Computing kpt #: 254 total cpu time spent up to now is 183.3 secs Computing kpt #: 255 total cpu time spent up to now is 184.0 secs Computing kpt #: 256 total cpu time spent up to now is 184.8 secs Computing kpt #: 257 total cpu time spent up to now is 185.5 secs Computing kpt #: 258 total cpu time spent up to now is 186.2 secs Computing kpt #: 259 total cpu time spent up to now is 186.9 secs Computing kpt #: 260 total cpu time spent up to now is 187.6 secs Computing kpt #: 261 total cpu time spent up to now is 188.3 secs Computing kpt #: 262 total cpu time spent up to now is 189.0 secs Computing kpt #: 263 total cpu time spent up to now is 189.8 secs Computing kpt #: 264 total cpu time spent up to now is 190.4 secs Computing kpt #: 265 total cpu time spent up to now is 191.2 secs Computing kpt #: 266 total cpu time spent up to now is 191.8 secs Computing kpt #: 267 total cpu time spent up to now is 192.5 secs Computing kpt #: 268 total cpu time spent up to now is 193.2 secs Computing kpt #: 269 total cpu time spent up to now is 193.9 secs Computing kpt #: 270 total cpu time spent up to now is 194.5 secs Computing kpt #: 271 total cpu time spent up to now is 195.3 secs Computing kpt #: 272 total cpu time spent up to now is 196.0 secs Computing kpt #: 273 total cpu time spent up to now is 196.7 secs Computing kpt #: 274 total cpu time spent up to now is 197.4 secs Computing kpt #: 275 total cpu time spent up to now is 198.1 secs Computing kpt #: 276 total cpu time spent up to now is 198.9 secs Computing kpt #: 277 total cpu time spent up to now is 199.6 secs Computing kpt #: 278 total cpu time spent up to now is 200.3 secs Computing kpt #: 279 total cpu time spent up to now is 201.1 secs Computing kpt #: 280 total cpu time spent up to now is 201.8 secs Computing kpt #: 281 total cpu time spent up to now is 202.6 secs Computing kpt #: 282 total cpu time spent up to now is 203.3 secs Computing kpt #: 283 total cpu time spent up to now is 204.1 secs Computing kpt #: 284 total cpu time spent up to now is 204.9 secs Computing kpt #: 285 total cpu time spent up to now is 205.7 secs Computing kpt #: 286 total cpu time spent up to now is 206.5 secs Computing kpt #: 287 total cpu time spent up to now is 207.3 secs Computing kpt #: 288 total cpu time spent up to now is 208.1 secs Computing kpt #: 289 total cpu time spent up to now is 208.9 secs Computing kpt #: 290 total cpu time spent up to now is 209.7 secs Computing kpt #: 291 total cpu time spent up to now is 210.5 secs ethr = 2.27E-08, avg # of iterations = 18.1 total cpu time spent up to now is 210.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6231 PWs) bands (ev): -45.5531 -45.5531 -45.4577 -45.4577 -17.6103 -17.6103 -17.5096 -17.5096 -17.4323 -17.4323 -17.4323 -17.4323 -17.3314 -17.3314 -17.3314 -17.3314 -10.3970 -10.3970 -10.3970 -10.3970 -7.8523 -7.8523 -7.8381 -7.8381 -7.8381 -7.8381 -1.7056 -1.7056 -1.7056 -1.7056 -1.6778 -1.6778 -1.0604 -1.0604 -1.0055 -1.0055 -1.0055 -1.0055 5.9946 5.9946 6.8878 6.8878 8.4060 8.4060 8.4060 8.4060 9.4926 9.4926 9.7092 9.7092 9.7092 9.7092 k = 0.0116-0.0067 0.0095 ( 6267 PWs) bands (ev): -45.5532 -45.5532 -45.4577 -45.4577 -17.6104 -17.6104 -17.5097 -17.5097 -17.4324 -17.4324 -17.4324 -17.4324 -17.3315 -17.3315 -17.3315 -17.3315 -10.3971 -10.3971 -10.3971 -10.3971 -7.8524 -7.8524 -7.8382 -7.8382 -7.8381 -7.8381 -1.7091 -1.7091 -1.7055 -1.7055 -1.6735 -1.6735 -1.0602 -1.0602 -1.0058 -1.0058 -1.0051 -1.0051 5.9852 5.9852 6.8902 6.8902 8.3938 8.3938 8.4073 8.4073 9.4985 9.4985 9.7057 9.7057 9.7170 9.7170 k = 0.0233-0.0134 0.0190 ( 6279 PWs) bands (ev): -45.5532 -45.5532 -45.4577 -45.4577 -17.6104 -17.6104 -17.5098 -17.5098 -17.4325 -17.4325 -17.4324 -17.4324 -17.3315 -17.3315 -17.3315 -17.3315 -10.3971 -10.3971 -10.3971 -10.3971 -7.8524 -7.8524 -7.8383 -7.8383 -7.8381 -7.8381 -1.7162 -1.7162 -1.7055 -1.7055 -1.6640 -1.6640 -1.0596 -1.0596 -1.0059 -1.0059 -1.0046 -1.0046 5.9578 5.9578 6.8966 6.8966 8.3591 8.3591 8.4116 8.4116 9.5073 9.5073 9.7041 9.7041 9.7399 9.7399 k = 0.0349-0.0201 0.0285 ( 6287 PWs) bands (ev): -45.5532 -45.5532 -45.4577 -45.4577 -17.6104 -17.6104 -17.5099 -17.5099 -17.4325 -17.4325 -17.4323 -17.4323 -17.3315 -17.3315 -17.3315 -17.3315 -10.3971 -10.3971 -10.3971 -10.3971 -7.8524 -7.8524 -7.8383 -7.8383 -7.8381 -7.8381 -1.7241 -1.7241 -1.7053 -1.7053 -1.6521 -1.6521 -1.0587 -1.0587 -1.0060 -1.0060 -1.0039 -1.0039 5.9147 5.9147 6.9045 6.9045 8.3059 8.3059 8.4198 8.4198 9.4960 9.4960 9.7267 9.7267 9.7775 9.7775 k = 0.0465-0.0269 0.0380 ( 6287 PWs) bands (ev): -45.5532 -45.5532 -45.4577 -45.4577 -17.6104 -17.6104 -17.5100 -17.5100 -17.4325 -17.4325 -17.4323 -17.4323 -17.3315 -17.3315 -17.3315 -17.3315 -10.3971 -10.3971 -10.3971 -10.3971 -7.8524 -7.8524 -7.8383 -7.8383 -7.8381 -7.8381 -1.7319 -1.7319 -1.7052 -1.7052 -1.6387 -1.6387 -1.0574 -1.0574 -1.0061 -1.0061 -1.0029 -1.0029 5.8584 5.8584 6.9110 6.9110 8.2391 8.2391 8.4334 8.4334 9.4542 9.4542 9.7829 9.7829 9.8288 9.8288 k = 0.0581-0.0336 0.0475 ( 6287 PWs) bands (ev): -45.5532 -45.5532 -45.4577 -45.4577 -17.6104 -17.6104 -17.5101 -17.5101 -17.4325 -17.4325 -17.4322 -17.4322 -17.3315 -17.3315 -17.3315 -17.3315 -10.3971 -10.3971 -10.3970 -10.3970 -7.8524 -7.8524 -7.8383 -7.8383 -7.8380 -7.8380 -1.7394 -1.7394 -1.7050 -1.7050 -1.6243 -1.6243 -1.0558 -1.0558 -1.0062 -1.0062 -1.0017 -1.0017 5.7918 5.7918 6.9131 6.9131 8.1628 8.1628 8.4536 8.4536 9.3920 9.3920 9.8605 9.8605 9.8945 9.8945 k = 0.0698-0.0403 0.0570 ( 6287 PWs) bands (ev): -45.5531 -45.5531 -45.4577 -45.4577 -17.6104 -17.6104 -17.5103 -17.5103 -17.4325 -17.4325 -17.4320 -17.4320 -17.3315 -17.3315 -17.3314 -17.3314 -10.3971 -10.3971 -10.3970 -10.3970 -7.8523 -7.8523 -7.8382 -7.8382 -7.8379 -7.8379 -1.7463 -1.7463 -1.7047 -1.7047 -1.6089 -1.6089 -1.0538 -1.0538 -1.0062 -1.0062 -1.0001 -1.0001 5.7172 5.7172 6.9087 6.9087 8.0804 8.0804 8.4813 8.4813 9.3187 9.3187 9.9443 9.9443 9.9788 9.9788 k = 0.0814-0.0470 0.0665 ( 6295 PWs) bands (ev): -45.5532 -45.5532 -45.4577 -45.4577 -17.6104 -17.6104 -17.5106 -17.5106 -17.4325 -17.4325 -17.4319 -17.4319 -17.3316 -17.3316 -17.3314 -17.3314 -10.3971 -10.3971 -10.3970 -10.3970 -7.8523 -7.8523 -7.8382 -7.8382 -7.8379 -7.8379 -1.7529 -1.7529 -1.7044 -1.7044 -1.5926 -1.5926 -1.0514 -1.0514 -1.0063 -1.0063 -0.9981 -0.9981 5.6365 5.6365 6.8966 6.8966 7.9941 7.9941 8.5164 8.5164 9.2396 9.2396 10.0284 10.0284 10.0809 10.0809 k = 0.0930-0.0537 0.0760 ( 6295 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6103 -17.6103 -17.5108 -17.5108 -17.4325 -17.4325 -17.4317 -17.4317 -17.3317 -17.3317 -17.3314 -17.3314 -10.3971 -10.3971 -10.3970 -10.3970 -7.8523 -7.8523 -7.8382 -7.8382 -7.8378 -7.8378 -1.7589 -1.7589 -1.7040 -1.7040 -1.5754 -1.5754 -1.0487 -1.0487 -1.0063 -1.0063 -0.9955 -0.9955 5.5513 5.5513 6.8763 6.8763 7.9056 7.9056 8.5584 8.5584 9.1577 9.1577 10.1161 10.1161 10.1931 10.1931 k = 0.1047-0.0604 0.0854 ( 6294 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6103 -17.6103 -17.5111 -17.5111 -17.4325 -17.4325 -17.4315 -17.4315 -17.3317 -17.3317 -17.3314 -17.3314 -10.3971 -10.3971 -10.3969 -10.3969 -7.8522 -7.8522 -7.8382 -7.8382 -7.8377 -7.8377 -1.7646 -1.7646 -1.7037 -1.7037 -1.5576 -1.5576 -1.0458 -1.0458 -1.0063 -1.0063 -0.9923 -0.9923 5.4627 5.4627 6.8482 6.8482 7.8162 7.8162 8.6055 8.6055 9.0755 9.0755 10.2083 10.2083 10.3112 10.3112 k = 0.1163-0.0671 0.0949 ( 6286 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6102 -17.6102 -17.5114 -17.5114 -17.4324 -17.4324 -17.4313 -17.4313 -17.3317 -17.3317 -17.3314 -17.3314 -10.3971 -10.3971 -10.3968 -10.3968 -7.8521 -7.8521 -7.8381 -7.8381 -7.8376 -7.8376 -1.7699 -1.7699 -1.7032 -1.7032 -1.5391 -1.5391 -1.0426 -1.0426 -1.0064 -1.0064 -0.9883 -0.9883 5.3716 5.3716 6.8130 6.8130 7.7267 7.7267 8.6544 8.6544 8.9956 8.9956 10.3044 10.3044 10.4336 10.4336 k = 0.1279-0.0738 0.1044 ( 6282 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6102 -17.6102 -17.5117 -17.5117 -17.4324 -17.4324 -17.4310 -17.4310 -17.3318 -17.3318 -17.3313 -17.3313 -10.3971 -10.3971 -10.3968 -10.3968 -7.8521 -7.8521 -7.8381 -7.8381 -7.8375 -7.8375 -1.7749 -1.7749 -1.7028 -1.7028 -1.5202 -1.5202 -1.0393 -1.0393 -1.0064 -1.0064 -0.9832 -0.9832 5.2788 5.2788 6.7718 6.7718 7.6377 7.6377 8.6985 8.6985 8.9232 8.9232 10.4029 10.4029 10.5589 10.5589 k = 0.1395-0.0806 0.1139 ( 6286 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6102 -17.6102 -17.5121 -17.5121 -17.4324 -17.4324 -17.4308 -17.4308 -17.3318 -17.3318 -17.3313 -17.3313 -10.3971 -10.3971 -10.3967 -10.3967 -7.8520 -7.8520 -7.8380 -7.8380 -7.8374 -7.8374 -1.7795 -1.7795 -1.7023 -1.7023 -1.5009 -1.5009 -1.0360 -1.0360 -1.0064 -1.0064 -0.9769 -0.9769 5.1848 5.1848 6.7257 6.7257 7.5497 7.5497 8.7180 8.7180 8.8759 8.8759 10.5021 10.5021 10.6864 10.6864 k = 0.1512-0.0873 0.1234 ( 6278 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6101 -17.6101 -17.5124 -17.5124 -17.4323 -17.4323 -17.4306 -17.4306 -17.3319 -17.3319 -17.3313 -17.3313 -10.3970 -10.3970 -10.3966 -10.3966 -7.8519 -7.8519 -7.8380 -7.8380 -7.8373 -7.8373 -1.7839 -1.7839 -1.7018 -1.7018 -1.4814 -1.4814 -1.0328 -1.0328 -1.0064 -1.0064 -0.9691 -0.9691 5.0901 5.0901 6.6756 6.6756 7.4631 7.4631 8.6850 8.6850 8.8796 8.8796 10.5984 10.5984 10.8153 10.8153 k = 0.1628-0.0940 0.1329 ( 6302 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6101 -17.6101 -17.5129 -17.5129 -17.4324 -17.4324 -17.4303 -17.4303 -17.3320 -17.3320 -17.3313 -17.3313 -10.3971 -10.3971 -10.3966 -10.3966 -7.8519 -7.8519 -7.8379 -7.8379 -7.8373 -7.8373 -1.7880 -1.7880 -1.7012 -1.7012 -1.4620 -1.4620 -1.0298 -1.0298 -1.0064 -1.0064 -0.9595 -0.9595 4.9950 4.9950 6.6227 6.6227 7.3781 7.3781 8.6206 8.6206 8.9101 8.9101 10.6842 10.6842 10.9444 10.9444 k = 0.1744-0.1007 0.1424 ( 6302 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6100 -17.6100 -17.5133 -17.5133 -17.4324 -17.4324 -17.4301 -17.4301 -17.3321 -17.3321 -17.3313 -17.3313 -10.3971 -10.3971 -10.3966 -10.3966 -7.8518 -7.8518 -7.8379 -7.8379 -7.8371 -7.8371 -1.7919 -1.7919 -1.7007 -1.7007 -1.4428 -1.4428 -1.0269 -1.0269 -1.0063 -1.0063 -0.9480 -0.9480 4.8998 4.8998 6.5677 6.5677 7.2950 7.2950 8.5484 8.5484 8.9412 8.9412 10.7434 10.7434 11.0201 11.0201 k = 0.1860-0.1074 0.1519 ( 6310 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6100 -17.6100 -17.5138 -17.5138 -17.4324 -17.4324 -17.4298 -17.4298 -17.3322 -17.3322 -17.3312 -17.3312 -10.3971 -10.3971 -10.3965 -10.3965 -7.8518 -7.8518 -7.8379 -7.8379 -7.8370 -7.8370 -1.7956 -1.7956 -1.7001 -1.7001 -1.4240 -1.4240 -1.0244 -1.0244 -1.0063 -1.0063 -0.9343 -0.9343 4.8048 4.8048 6.5114 6.5114 7.2139 7.2139 8.4750 8.4750 8.9634 8.9634 10.7673 10.7673 11.0713 11.0713 k = 0.1977-0.1141 0.1614 ( 6314 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6100 -17.6100 -17.5142 -17.5142 -17.4324 -17.4324 -17.4295 -17.4295 -17.3323 -17.3323 -17.3312 -17.3312 -10.3971 -10.3971 -10.3965 -10.3965 -7.8517 -7.8517 -7.8378 -7.8378 -7.8369 -7.8369 -1.7991 -1.7991 -1.6995 -1.6995 -1.4059 -1.4059 -1.0220 -1.0220 -1.0062 -1.0062 -0.9184 -0.9184 4.7102 4.7102 6.4543 6.4543 7.1351 7.1351 8.4026 8.4026 8.9728 8.9728 10.7768 10.7768 11.1586 11.1586 k = 0.2093-0.1208 0.1709 ( 6314 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6099 -17.6099 -17.5146 -17.5146 -17.4323 -17.4323 -17.4292 -17.4292 -17.3323 -17.3323 -17.3312 -17.3312 -10.3971 -10.3971 -10.3964 -10.3964 -7.8517 -7.8517 -7.8378 -7.8378 -7.8368 -7.8368 -1.8024 -1.8024 -1.6989 -1.6989 -1.3886 -1.3886 -1.0199 -1.0199 -1.0060 -1.0060 -0.9002 -0.9002 4.6163 4.6163 6.3971 6.3971 7.0585 7.0585 8.3318 8.3318 8.9678 8.9678 10.7934 10.7934 11.2621 11.2621 k = 0.2209-0.1276 0.1804 ( 6294 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6098 -17.6098 -17.5151 -17.5151 -17.4323 -17.4323 -17.4288 -17.4288 -17.3324 -17.3324 -17.3311 -17.3311 -10.3970 -10.3970 -10.3963 -10.3963 -7.8515 -7.8515 -7.8377 -7.8377 -7.8366 -7.8366 -1.8055 -1.8055 -1.6983 -1.6983 -1.3724 -1.3724 -1.0181 -1.0181 -1.0058 -1.0058 -0.8796 -0.8796 4.5231 4.5231 6.3402 6.3402 6.9844 6.9844 8.2631 8.2631 8.9482 8.9482 10.8251 10.8251 11.3730 11.3730 k = 0.2326-0.1343 0.1899 ( 6286 PWs) bands (ev): -45.5530 -45.5530 -45.4578 -45.4578 -17.6097 -17.6097 -17.5155 -17.5155 -17.4322 -17.4322 -17.4285 -17.4285 -17.3324 -17.3324 -17.3311 -17.3311 -10.3970 -10.3970 -10.3962 -10.3962 -7.8515 -7.8515 -7.8376 -7.8376 -7.8364 -7.8364 -1.8086 -1.8086 -1.6977 -1.6977 -1.3572 -1.3572 -1.0164 -1.0164 -1.0054 -1.0054 -0.8566 -0.8566 4.4309 4.4309 6.2839 6.2839 6.9129 6.9129 8.1968 8.1968 8.9154 8.9154 10.8735 10.8735 11.4879 11.4879 k = 0.2442-0.1410 0.1994 ( 6302 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6097 -17.6097 -17.5160 -17.5160 -17.4322 -17.4322 -17.4283 -17.4283 -17.3325 -17.3325 -17.3311 -17.3311 -10.3970 -10.3970 -10.3962 -10.3962 -7.8514 -7.8514 -7.8376 -7.8376 -7.8363 -7.8363 -1.8114 -1.8114 -1.6971 -1.6971 -1.3433 -1.3433 -1.0150 -1.0150 -1.0050 -1.0050 -0.8312 -0.8312 4.3399 4.3399 6.2285 6.2285 6.8439 6.8439 8.1330 8.1330 8.8715 8.8715 10.9375 10.9375 11.6052 11.6052 k = 0.2558-0.1477 0.2089 ( 6302 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6096 -17.6096 -17.5164 -17.5164 -17.4322 -17.4322 -17.4280 -17.4280 -17.3326 -17.3326 -17.3310 -17.3310 -10.3970 -10.3970 -10.3961 -10.3961 -7.8514 -7.8514 -7.8375 -7.8375 -7.8361 -7.8361 -1.8142 -1.8142 -1.6965 -1.6965 -1.3305 -1.3305 -1.0139 -1.0139 -1.0044 -1.0044 -0.8037 -0.8037 4.2502 4.2502 6.1744 6.1744 6.7776 6.7776 8.0717 8.0717 8.8190 8.8190 11.0150 11.0150 11.7243 11.7243 k = 0.2674-0.1544 0.2184 ( 6294 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6095 -17.6095 -17.5168 -17.5168 -17.4321 -17.4321 -17.4277 -17.4277 -17.3326 -17.3326 -17.3310 -17.3310 -10.3969 -10.3969 -10.3960 -10.3960 -7.8513 -7.8513 -7.8374 -7.8374 -7.8360 -7.8360 -1.8168 -1.8168 -1.6959 -1.6959 -1.3191 -1.3191 -1.0129 -1.0129 -1.0036 -1.0036 -0.7742 -0.7742 4.1619 4.1619 6.1218 6.1218 6.7141 6.7141 8.0132 8.0132 8.7604 8.7604 11.1037 11.1037 11.8449 11.8449 k = 0.2791-0.1611 0.2279 ( 6302 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6094 -17.6094 -17.5173 -17.5173 -17.4321 -17.4321 -17.4274 -17.4274 -17.3327 -17.3327 -17.3310 -17.3310 -10.3969 -10.3969 -10.3960 -10.3960 -7.8513 -7.8513 -7.8374 -7.8374 -7.8358 -7.8358 -1.8193 -1.8193 -1.6953 -1.6953 -1.3087 -1.3087 -1.0123 -1.0123 -1.0026 -1.0026 -0.7428 -0.7428 4.0754 4.0754 6.0709 6.0709 6.6533 6.6533 7.9573 7.9573 8.6976 8.6976 11.2012 11.2012 11.9670 11.9670 k = 0.2907-0.1678 0.2374 ( 6302 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6094 -17.6094 -17.5177 -17.5177 -17.4321 -17.4321 -17.4271 -17.4271 -17.3328 -17.3328 -17.3309 -17.3309 -10.3969 -10.3969 -10.3959 -10.3959 -7.8512 -7.8512 -7.8374 -7.8374 -7.8357 -7.8357 -1.8217 -1.8217 -1.6947 -1.6947 -1.2996 -1.2996 -1.0118 -1.0118 -1.0015 -1.0015 -0.7099 -0.7099 3.9907 3.9907 6.0218 6.0218 6.5954 6.5954 7.9042 7.9042 8.6326 8.6326 11.3056 11.3056 12.0905 12.0905 k = 0.3023-0.1745 0.2468 ( 6310 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6093 -17.6093 -17.5182 -17.5182 -17.4321 -17.4321 -17.4269 -17.4269 -17.3329 -17.3329 -17.3310 -17.3310 -10.3970 -10.3970 -10.3958 -10.3958 -7.8512 -7.8512 -7.8374 -7.8374 -7.8355 -7.8355 -1.8239 -1.8239 -1.6942 -1.6942 -1.2914 -1.2914 -1.0114 -1.0114 -1.0004 -1.0004 -0.6757 -0.6757 3.9080 3.9080 5.9747 5.9747 6.5404 6.5404 7.8540 7.8540 8.5669 8.5669 11.4151 11.4151 12.2155 12.2155 k = 0.3140-0.1813 0.2563 ( 6310 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6093 -17.6093 -17.5186 -17.5186 -17.4321 -17.4321 -17.4266 -17.4266 -17.3329 -17.3329 -17.3309 -17.3309 -10.3969 -10.3969 -10.3958 -10.3958 -7.8512 -7.8512 -7.8373 -7.8373 -7.8354 -7.8354 -1.8261 -1.8261 -1.6936 -1.6936 -1.2842 -1.2842 -1.0112 -1.0112 -0.9992 -0.9992 -0.6405 -0.6405 3.8277 3.8277 5.9298 5.9298 6.4883 6.4883 7.8065 7.8065 8.5015 8.5015 11.5283 11.5283 12.3423 12.3423 k = 0.3256-0.1880 0.2658 ( 6314 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6092 -17.6092 -17.5190 -17.5190 -17.4321 -17.4321 -17.4264 -17.4264 -17.3330 -17.3330 -17.3309 -17.3309 -10.3969 -10.3969 -10.3958 -10.3958 -7.8512 -7.8512 -7.8373 -7.8373 -7.8352 -7.8352 -1.8281 -1.8281 -1.6931 -1.6931 -1.2779 -1.2779 -1.0110 -1.0110 -0.9979 -0.9979 -0.6046 -0.6046 3.7498 3.7498 5.8871 5.8871 6.4392 6.4392 7.7620 7.7620 8.4374 8.4374 11.6437 11.6437 12.4709 12.4709 k = 0.3372-0.1947 0.2753 ( 6310 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6092 -17.6092 -17.5193 -17.5193 -17.4320 -17.4320 -17.4262 -17.4262 -17.3330 -17.3330 -17.3309 -17.3309 -10.3969 -10.3969 -10.3957 -10.3957 -7.8512 -7.8512 -7.8373 -7.8373 -7.8350 -7.8350 -1.8300 -1.8300 -1.6926 -1.6926 -1.2723 -1.2723 -1.0109 -1.0109 -0.9967 -0.9967 -0.5685 -0.5685 3.6747 3.6747 5.8468 5.8468 6.3931 6.3931 7.7202 7.7202 8.3754 8.3754 11.7604 11.7604 12.6017 12.6017 k = 0.3488-0.2014 0.2848 ( 6314 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6091 -17.6091 -17.5197 -17.5197 -17.4320 -17.4320 -17.4260 -17.4260 -17.3331 -17.3331 -17.3309 -17.3309 -10.3969 -10.3969 -10.3956 -10.3956 -7.8512 -7.8512 -7.8372 -7.8372 -7.8349 -7.8349 -1.8318 -1.8318 -1.6921 -1.6921 -1.2674 -1.2674 -1.0108 -1.0108 -0.9955 -0.9955 -0.5324 -0.5324 3.6027 3.6027 5.8089 5.8089 6.3501 6.3501 7.6814 7.6814 8.3161 8.3161 11.8772 11.8772 12.7347 12.7347 k = 0.3605-0.2081 0.2943 ( 6302 PWs) bands (ev): -45.5529 -45.5529 -45.4579 -45.4579 -17.6090 -17.6090 -17.5200 -17.5200 -17.4319 -17.4319 -17.4257 -17.4257 -17.3331 -17.3331 -17.3308 -17.3308 -10.3969 -10.3969 -10.3955 -10.3955 -7.8511 -7.8511 -7.8372 -7.8372 -7.8347 -7.8347 -1.8335 -1.8335 -1.6917 -1.6917 -1.2632 -1.2632 -1.0107 -1.0107 -0.9943 -0.9943 -0.4967 -0.4967 3.5340 3.5340 5.7736 5.7736 6.3101 6.3101 7.6455 7.6455 8.2599 8.2599 11.9932 11.9932 12.8702 12.8702 k = 0.3721-0.2148 0.3038 ( 6294 PWs) bands (ev): -45.5529 -45.5529 -45.4579 -45.4579 -17.6090 -17.6090 -17.5203 -17.5203 -17.4319 -17.4319 -17.4255 -17.4255 -17.3331 -17.3331 -17.3308 -17.3308 -10.3969 -10.3969 -10.3955 -10.3955 -7.8511 -7.8511 -7.8372 -7.8372 -7.8345 -7.8345 -1.8351 -1.8351 -1.6913 -1.6913 -1.2595 -1.2595 -1.0107 -1.0107 -0.9932 -0.9932 -0.4618 -0.4618 3.4689 3.4689 5.7408 5.7408 6.2732 6.2732 7.6124 7.6124 8.2072 8.2072 12.1073 12.1073 13.0083 13.0083 k = 0.3837-0.2215 0.3133 ( 6302 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6089 -17.6089 -17.5206 -17.5206 -17.4319 -17.4319 -17.4254 -17.4254 -17.3332 -17.3332 -17.3308 -17.3308 -10.3969 -10.3969 -10.3954 -10.3954 -7.8511 -7.8511 -7.8372 -7.8372 -7.8344 -7.8344 -1.8365 -1.8365 -1.6909 -1.6909 -1.2562 -1.2562 -1.0107 -1.0107 -0.9922 -0.9922 -0.4282 -0.4282 3.4079 3.4079 5.7107 5.7107 6.2394 6.2394 7.5823 7.5823 8.1584 8.1584 12.2187 12.2187 13.1491 13.1491 k = 0.3953-0.2283 0.3228 ( 6294 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6089 -17.6089 -17.5208 -17.5208 -17.4318 -17.4318 -17.4252 -17.4252 -17.3332 -17.3332 -17.3308 -17.3308 -10.3969 -10.3969 -10.3954 -10.3954 -7.8510 -7.8510 -7.8371 -7.8371 -7.8343 -7.8343 -1.8378 -1.8378 -1.6906 -1.6906 -1.2534 -1.2534 -1.0107 -1.0107 -0.9912 -0.9912 -0.3961 -0.3961 3.3511 3.3511 5.6833 5.6833 6.2088 6.2088 7.5550 7.5550 8.1136 8.1136 12.3264 12.3264 13.2924 13.2924 k = 0.4070-0.2350 0.3323 ( 6306 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6089 -17.6089 -17.5211 -17.5211 -17.4319 -17.4319 -17.4251 -17.4251 -17.3332 -17.3332 -17.3308 -17.3308 -10.3969 -10.3969 -10.3954 -10.3954 -7.8511 -7.8511 -7.8372 -7.8372 -7.8342 -7.8342 -1.8390 -1.8390 -1.6903 -1.6903 -1.2511 -1.2511 -1.0107 -1.0107 -0.9903 -0.9903 -0.3659 -0.3659 3.2990 3.2990 5.6587 5.6587 6.1814 6.1814 7.5307 7.5307 8.0731 8.0731 12.4293 12.4293 13.4361 13.4361 k = 0.4186-0.2417 0.3418 ( 6326 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6089 -17.6089 -17.5214 -17.5214 -17.4319 -17.4319 -17.4250 -17.4250 -17.3333 -17.3333 -17.3308 -17.3308 -10.3969 -10.3969 -10.3954 -10.3954 -7.8511 -7.8511 -7.8372 -7.8372 -7.8341 -7.8341 -1.8401 -1.8401 -1.6900 -1.6900 -1.2490 -1.2490 -1.0107 -1.0107 -0.9895 -0.9895 -0.3382 -0.3382 3.2520 3.2520 5.6369 5.6369 6.1571 6.1571 7.5092 7.5092 8.0370 8.0370 12.5261 12.5261 13.5429 13.5429 k = 0.4302-0.2484 0.3513 ( 6318 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6088 -17.6088 -17.5216 -17.5216 -17.4319 -17.4319 -17.4248 -17.4248 -17.3333 -17.3333 -17.3307 -17.3307 -10.3969 -10.3969 -10.3954 -10.3954 -7.8511 -7.8511 -7.8372 -7.8372 -7.8340 -7.8340 -1.8410 -1.8410 -1.6897 -1.6897 -1.2473 -1.2473 -1.0107 -1.0107 -0.9888 -0.9888 -0.3132 -0.3132 3.2103 3.2103 5.6179 5.6179 6.1361 6.1361 7.4906 7.4906 8.0055 8.0055 12.6156 12.6156 13.6331 13.6331 k = 0.4419-0.2551 0.3608 ( 6330 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6088 -17.6088 -17.5217 -17.5217 -17.4319 -17.4319 -17.4247 -17.4247 -17.3334 -17.3334 -17.3307 -17.3307 -10.3969 -10.3969 -10.3954 -10.3954 -7.8511 -7.8511 -7.8373 -7.8373 -7.8340 -7.8340 -1.8418 -1.8418 -1.6895 -1.6895 -1.2459 -1.2459 -1.0107 -1.0107 -0.9882 -0.9882 -0.2914 -0.2914 3.1744 3.1744 5.6018 5.6018 6.1183 6.1183 7.4749 7.4749 7.9786 7.9786 12.6961 12.6961 13.7157 13.7157 k = 0.4535-0.2618 0.3703 ( 6330 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6088 -17.6088 -17.5219 -17.5219 -17.4319 -17.4319 -17.4247 -17.4247 -17.3334 -17.3334 -17.3307 -17.3307 -10.3969 -10.3969 -10.3954 -10.3954 -7.8511 -7.8511 -7.8373 -7.8373 -7.8339 -7.8339 -1.8424 -1.8424 -1.6894 -1.6894 -1.2448 -1.2448 -1.0107 -1.0107 -0.9877 -0.9877 -0.2730 -0.2730 3.1445 3.1445 5.5886 5.5886 6.1037 6.1037 7.4621 7.4621 7.9566 7.9566 12.7659 12.7659 13.7887 13.7887 k = 0.4651-0.2685 0.3798 ( 6322 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6088 -17.6088 -17.5220 -17.5220 -17.4318 -17.4318 -17.4246 -17.4246 -17.3334 -17.3334 -17.3307 -17.3307 -10.3969 -10.3969 -10.3953 -10.3953 -7.8511 -7.8511 -7.8372 -7.8372 -7.8339 -7.8339 -1.8429 -1.8429 -1.6892 -1.6892 -1.2440 -1.2440 -1.0107 -1.0107 -0.9873 -0.9873 -0.2583 -0.2583 3.1210 3.1210 5.5783 5.5783 6.0923 6.0923 7.4521 7.4521 7.9393 7.9393 12.8230 12.8230 13.8498 13.8498 k = 0.4767-0.2752 0.3893 ( 6338 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6088 -17.6088 -17.5221 -17.5221 -17.4319 -17.4319 -17.4246 -17.4246 -17.3335 -17.3335 -17.3307 -17.3307 -10.3969 -10.3969 -10.3954 -10.3954 -7.8511 -7.8511 -7.8373 -7.8373 -7.8338 -7.8338 -1.8433 -1.8433 -1.6891 -1.6891 -1.2434 -1.2434 -1.0107 -1.0107 -0.9870 -0.9870 -0.2477 -0.2477 3.1039 3.1039 5.5709 5.5709 6.0842 6.0842 7.4450 7.4450 7.9270 7.9270 12.8656 12.8656 13.8961 13.8961 k = 0.4884-0.2820 0.3988 ( 6346 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6088 -17.6088 -17.5221 -17.5221 -17.4319 -17.4319 -17.4246 -17.4246 -17.3335 -17.3335 -17.3307 -17.3307 -10.3969 -10.3969 -10.3954 -10.3954 -7.8511 -7.8511 -7.8373 -7.8373 -7.8338 -7.8338 -1.8435 -1.8435 -1.6891 -1.6891 -1.2430 -1.2430 -1.0107 -1.0107 -0.9868 -0.9868 -0.2412 -0.2412 3.0937 3.0937 5.5665 5.5665 6.0793 6.0793 7.4407 7.4407 7.9196 7.9196 12.8919 12.8919 13.9251 13.9251 k = 0.5000-0.2887 0.4082 ( 6346 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6088 -17.6088 -17.5222 -17.5222 -17.4319 -17.4319 -17.4245 -17.4245 -17.3335 -17.3335 -17.3307 -17.3307 -10.3969 -10.3969 -10.3954 -10.3954 -7.8511 -7.8511 -7.8373 -7.8373 -7.8338 -7.8338 -1.8436 -1.8436 -1.6891 -1.6891 -1.2429 -1.2429 -1.0107 -1.0107 -0.9868 -0.9868 -0.2391 -0.2391 3.0902 3.0902 5.5650 5.5650 6.0776 6.0776 7.4393 7.4393 7.9171 7.9171 12.9008 12.9008 13.9350 13.9350 k = 0.5000-0.2887 0.4082 ( 6346 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6088 -17.6088 -17.5222 -17.5222 -17.4319 -17.4319 -17.4245 -17.4245 -17.3335 -17.3335 -17.3307 -17.3307 -10.3969 -10.3969 -10.3954 -10.3954 -7.8511 -7.8511 -7.8373 -7.8373 -7.8338 -7.8338 -1.8436 -1.8436 -1.6891 -1.6891 -1.2429 -1.2429 -1.0107 -1.0107 -0.9868 -0.9868 -0.2391 -0.2391 3.0902 3.0902 5.5650 5.5650 6.0776 6.0776 7.4393 7.4393 7.9171 7.9171 12.9008 12.9008 13.9350 13.9350 k = 0.5000-0.2756 0.4175 ( 6346 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6089 -17.6087 -17.5224 -17.5219 -17.4322 -17.4317 -17.4250 -17.4241 -17.3338 -17.3333 -17.3309 -17.3306 -10.3969 -10.3969 -10.3954 -10.3954 -7.8511 -7.8511 -7.8374 -7.8373 -7.8339 -7.8338 -1.8470 -1.8401 -1.6896 -1.6885 -1.2498 -1.2361 -1.0115 -1.0099 -0.9875 -0.9860 -0.2415 -0.2362 3.0844 3.0975 5.5397 5.5821 6.0664 6.0764 7.4429 7.4534 7.9077 7.9433 12.8679 12.9155 13.8861 13.9361 k = 0.5000-0.2624 0.4268 ( 6342 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6090 -17.6086 -17.5226 -17.5217 -17.4324 -17.4314 -17.4255 -17.4236 -17.3340 -17.3330 -17.3310 -17.3304 -10.3969 -10.3969 -10.3955 -10.3954 -7.8511 -7.8510 -7.8374 -7.8372 -7.8339 -7.8338 -1.8503 -1.8366 -1.6901 -1.6878 -1.2569 -1.2294 -1.0123 -1.0090 -0.9884 -0.9854 -0.2436 -0.2329 3.0800 3.1061 5.5067 5.5905 6.0436 6.0630 7.4639 7.4849 7.9156 7.9853 12.8180 12.9094 13.7963 13.8968 k = 0.5000-0.2493 0.4361 ( 6336 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6090 -17.6085 -17.5228 -17.5214 -17.4326 -17.4312 -17.4260 -17.4231 -17.3342 -17.3327 -17.3312 -17.3303 -10.3969 -10.3968 -10.3955 -10.3954 -7.8511 -7.8509 -7.8374 -7.8371 -7.8339 -7.8337 -1.8536 -1.8331 -1.6906 -1.6872 -1.2640 -1.2230 -1.0130 -1.0081 -0.9894 -0.9849 -0.2452 -0.2293 3.0770 3.1162 5.4672 5.5906 6.0108 6.0385 7.5010 7.5324 7.9406 8.0419 12.7518 12.8796 13.6782 13.8332 k = 0.5000-0.2362 0.4454 ( 6332 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6091 -17.6084 -17.5230 -17.5212 -17.4328 -17.4309 -17.4264 -17.4226 -17.3345 -17.3325 -17.3313 -17.3301 -10.3968 -10.3968 -10.3955 -10.3954 -7.8511 -7.8509 -7.8374 -7.8371 -7.8340 -7.8338 -1.8567 -1.8297 -1.6910 -1.6865 -1.2711 -1.2167 -1.0137 -1.0072 -0.9905 -0.9845 -0.2464 -0.2254 3.0753 3.1278 5.4221 5.5829 5.9700 6.0047 7.5526 7.5943 7.9822 8.1115 12.6698 12.8232 13.5425 13.7583 k = 0.5000-0.2231 0.4546 ( 6328 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6092 -17.6083 -17.5233 -17.5209 -17.4331 -17.4307 -17.4269 -17.4221 -17.3347 -17.3322 -17.3315 -17.3300 -10.3968 -10.3968 -10.3955 -10.3954 -7.8511 -7.8508 -7.8374 -7.8370 -7.8341 -7.8338 -1.8598 -1.8262 -1.6913 -1.6858 -1.2782 -1.2106 -1.0144 -1.0063 -0.9916 -0.9841 -0.2472 -0.2212 3.0748 3.1406 5.3726 5.5684 5.9233 5.9635 7.6171 7.6688 8.0391 8.1929 12.5725 12.7392 13.3957 13.6731 k = 0.5000-0.2099 0.4639 ( 6324 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6093 -17.6082 -17.5235 -17.5207 -17.4333 -17.4304 -17.4274 -17.4217 -17.3349 -17.3320 -17.3316 -17.3298 -10.3968 -10.3968 -10.3955 -10.3954 -7.8511 -7.8507 -7.8374 -7.8369 -7.8341 -7.8338 -1.8628 -1.8229 -1.6916 -1.6851 -1.2853 -1.2048 -1.0150 -1.0054 -0.9929 -0.9838 -0.2476 -0.2168 3.0755 3.1548 5.3198 5.5482 5.8728 5.9168 7.6926 7.7542 8.1097 8.2845 12.4607 12.6296 13.2419 13.5629 k = 0.5000-0.1968 0.4732 ( 6320 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6093 -17.6081 -17.5237 -17.5205 -17.4335 -17.4302 -17.4278 -17.4212 -17.3351 -17.3318 -17.3317 -17.3297 -10.3968 -10.3967 -10.3955 -10.3954 -7.8511 -7.8506 -7.8374 -7.8368 -7.8342 -7.8338 -1.8656 -1.8195 -1.6917 -1.6845 -1.2923 -1.1993 -1.0156 -1.0045 -0.9942 -0.9836 -0.2476 -0.2122 3.0773 3.1702 5.2648 5.5237 5.8200 5.8663 7.7778 7.8491 8.1925 8.3853 12.3360 12.4989 13.0831 13.4177 k = 0.5000-0.1837 0.4825 ( 6314 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6094 -17.6081 -17.5238 -17.5203 -17.4336 -17.4299 -17.4282 -17.4208 -17.3353 -17.3319 -17.3315 -17.3296 -10.3967 -10.3967 -10.3955 -10.3953 -7.8510 -7.8505 -7.8374 -7.8367 -7.8343 -7.8339 -1.8683 -1.8163 -1.6918 -1.6838 -1.2991 -1.1940 -1.0162 -1.0036 -0.9955 -0.9834 -0.2473 -0.2075 3.0800 3.1867 5.2084 5.4961 5.7666 5.8137 7.8716 7.9522 8.2857 8.4940 12.2001 12.3521 12.9207 13.2484 k = 0.5000-0.1706 0.4918 ( 6312 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6095 -17.6080 -17.5240 -17.5201 -17.4338 -17.4297 -17.4286 -17.4204 -17.3355 -17.3321 -17.3313 -17.3295 -10.3967 -10.3967 -10.3955 -10.3953 -7.8510 -7.8504 -7.8374 -7.8367 -7.8344 -7.8339 -1.8708 -1.8132 -1.6918 -1.6832 -1.3058 -1.1889 -1.0167 -1.0027 -0.9969 -0.9833 -0.2466 -0.2028 3.0835 3.2042 5.1517 5.4668 5.7136 5.7600 7.9728 8.0626 8.3879 8.6098 12.0551 12.1938 12.7554 13.0675 k = 0.5000-0.1575 0.5010 ( 6306 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6095 -17.6079 -17.5242 -17.5198 -17.4340 -17.4295 -17.4290 -17.4200 -17.3357 -17.3322 -17.3311 -17.3294 -10.3967 -10.3966 -10.3955 -10.3953 -7.8509 -7.8503 -7.8374 -7.8366 -7.8345 -7.8340 -1.8732 -1.8103 -1.6918 -1.6825 -1.3122 -1.1842 -1.0172 -1.0018 -0.9984 -0.9833 -0.2458 -0.1980 3.0878 3.2225 5.0952 5.4367 5.6619 5.7064 8.0807 8.1794 8.4974 8.7319 11.9031 12.0277 12.5881 12.8812 k = 0.5000-0.1443 0.5103 ( 6302 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6096 -17.6078 -17.5243 -17.5197 -17.4341 -17.4293 -17.4293 -17.4197 -17.3359 -17.3323 -17.3309 -17.3293 -10.3966 -10.3966 -10.3956 -10.3953 -7.8509 -7.8502 -7.8374 -7.8365 -7.8346 -7.8340 -1.8754 -1.8075 -1.6916 -1.6819 -1.3184 -1.1798 -1.0177 -1.0009 -0.9998 -0.9833 -0.2447 -0.1934 3.0926 3.2414 5.0398 5.4070 5.6125 5.6538 8.1944 8.3020 8.6132 8.8595 11.7460 11.8564 12.4195 12.6926 k = 0.5000-0.1312 0.5196 ( 6306 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6096 -17.6078 -17.5245 -17.5195 -17.4343 -17.4297 -17.4291 -17.4193 -17.3361 -17.3324 -17.3307 -17.3292 -10.3966 -10.3965 -10.3956 -10.3953 -7.8509 -7.8501 -7.8374 -7.8364 -7.8347 -7.8341 -1.8774 -1.8049 -1.6914 -1.6814 -1.3243 -1.1756 -1.0181 -1.0013 -1.0000 -0.9833 -0.2435 -0.1889 3.0978 3.2606 4.9861 5.3783 5.5658 5.6028 8.3132 8.4298 8.7339 8.9920 11.5857 11.6818 12.2504 12.5036 k = 0.5000-0.1181 0.5289 ( 6310 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6097 -17.6077 -17.5247 -17.5194 -17.4344 -17.4300 -17.4290 -17.4191 -17.3362 -17.3326 -17.3305 -17.3291 -10.3966 -10.3965 -10.3956 -10.3954 -7.8508 -7.8501 -7.8374 -7.8363 -7.8349 -7.8342 -1.8793 -1.8025 -1.6912 -1.6809 -1.3298 -1.1719 -1.0185 -1.0027 -0.9992 -0.9834 -0.2422 -0.1846 3.1032 3.2799 4.9348 5.3513 5.5224 5.5542 8.4363 8.5623 8.8584 9.1288 11.4237 11.5055 12.0818 12.3153 k = 0.5000-0.1050 0.5381 ( 6306 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6097 -17.6077 -17.5248 -17.5192 -17.4345 -17.4303 -17.4288 -17.4188 -17.3364 -17.3327 -17.3303 -17.3291 -10.3965 -10.3965 -10.3957 -10.3954 -7.8508 -7.8500 -7.8373 -7.8362 -7.8350 -7.8343 -1.8810 -1.8004 -1.6909 -1.6804 -1.3348 -1.1684 -1.0188 -1.0040 -0.9984 -0.9835 -0.2408 -0.1805 3.1087 3.2989 4.8864 5.3268 5.4826 5.5084 8.5631 8.6992 8.9853 9.2692 11.2615 11.3284 11.9148 12.1286 k = 0.5000-0.0919 0.5474 ( 6310 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6098 -17.6077 -17.5249 -17.5191 -17.4346 -17.4306 -17.4287 -17.4185 -17.3365 -17.3328 -17.3302 -17.3290 -10.3965 -10.3964 -10.3957 -10.3954 -7.8507 -7.8499 -7.8373 -7.8361 -7.8351 -7.8344 -1.8825 -1.7984 -1.6905 -1.6800 -1.3394 -1.1653 -1.0191 -1.0053 -0.9977 -0.9836 -0.2395 -0.1768 3.1141 3.3172 4.8416 5.3051 5.4469 5.4659 8.6927 8.8401 9.1133 9.4126 11.1007 11.1514 11.7505 11.9442 k = 0.5000-0.0787 0.5567 ( 6302 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6098 -17.6076 -17.5250 -17.5190 -17.4347 -17.4308 -17.4285 -17.4183 -17.3366 -17.3328 -17.3300 -17.3290 -10.3965 -10.3964 -10.3957 -10.3954 -7.8507 -7.8498 -7.8373 -7.8359 -7.8351 -7.8345 -1.8838 -1.7967 -1.6902 -1.6796 -1.3435 -1.1626 -1.0194 -1.0065 -0.9970 -0.9838 -0.2382 -0.1735 3.1192 3.3345 4.8011 5.2866 5.4155 5.4273 8.8241 8.9847 9.2401 9.5580 10.9431 10.9751 11.5908 11.7633 k = 0.5000-0.0656 0.5660 ( 6298 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6076 -17.5251 -17.5189 -17.4348 -17.4310 -17.4284 -17.4181 -17.3367 -17.3329 -17.3299 -17.3289 -10.3965 -10.3963 -10.3957 -10.3954 -7.8507 -7.8497 -7.8372 -7.8358 -7.8352 -7.8346 -1.8849 -1.7953 -1.6898 -1.6793 -1.3471 -1.1603 -1.0196 -1.0075 -0.9964 -0.9839 -0.2371 -0.1706 3.1238 3.3503 4.7654 5.2716 5.3886 5.3928 8.9559 9.1324 9.3632 9.7043 10.7909 10.8002 11.4377 11.5870 k = 0.5000-0.0525 0.5753 ( 6302 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6075 -17.5252 -17.5188 -17.4348 -17.4312 -17.4283 -17.4179 -17.3368 -17.3330 -17.3298 -17.3289 -10.3964 -10.3963 -10.3958 -10.3954 -7.8506 -7.8497 -7.8372 -7.8357 -7.8353 -7.8348 -1.8858 -1.7941 -1.6895 -1.6790 -1.3500 -1.1584 -1.0198 -1.0084 -0.9959 -0.9841 -0.2361 -0.1681 3.1278 3.3640 4.7351 5.2602 5.3629 5.3664 9.0857 9.2829 9.4781 9.8492 10.6274 10.6478 11.2945 11.4174 k = 0.5000-0.0394 0.5845 ( 6306 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6075 -17.5252 -17.5187 -17.4349 -17.4313 -17.4283 -17.4178 -17.3369 -17.3330 -17.3297 -17.3289 -10.3964 -10.3963 -10.3958 -10.3954 -7.8506 -7.8497 -7.8372 -7.8356 -7.8354 -7.8349 -1.8865 -1.7931 -1.6893 -1.6788 -1.3524 -1.1568 -1.0199 -1.0092 -0.9954 -0.9842 -0.2352 -0.1662 3.1311 3.3753 4.7109 5.2525 5.3381 5.3490 9.2100 9.4353 9.5780 9.9890 10.4577 10.5193 11.1664 11.2583 k = 0.5000-0.0262 0.5938 ( 6298 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6075 -17.5252 -17.5187 -17.4349 -17.4314 -17.4282 -17.4177 -17.3369 -17.3330 -17.3297 -17.3289 -10.3964 -10.3962 -10.3958 -10.3954 -7.8506 -7.8496 -7.8372 -7.8355 -7.8354 -7.8350 -1.8871 -1.7925 -1.6891 -1.6787 -1.3541 -1.1557 -1.0200 -1.0097 -0.9951 -0.9844 -0.2346 -0.1648 3.1336 3.3837 4.6932 5.2480 5.3191 5.3365 9.3214 9.5874 9.6532 10.1154 10.2938 10.4147 11.0609 11.1175 k = 0.5000-0.0131 0.6031 ( 6298 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6075 -17.5253 -17.5187 -17.4349 -17.4314 -17.4282 -17.4177 -17.3369 -17.3331 -17.3297 -17.3289 -10.3964 -10.3962 -10.3958 -10.3954 -7.8506 -7.8496 -7.8371 -7.8354 -7.8353 -7.8351 -1.8874 -1.7921 -1.6890 -1.6786 -1.3551 -1.1551 -1.0201 -1.0100 -0.9949 -0.9844 -0.2342 -0.1640 3.1351 3.3889 4.6824 5.2461 5.3068 5.3289 9.4058 9.6949 9.7313 10.1384 10.2169 10.3461 10.9894 11.0118 k = 0.5000-0.0000 0.6124 ( 6268 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6074 -17.5252 -17.5186 -17.4349 -17.4314 -17.4281 -17.4176 -17.3369 -17.3330 -17.3296 -17.3288 -10.3963 -10.3961 -10.3958 -10.3953 -7.8505 -7.8495 -7.8371 -7.8354 -7.8352 -7.8351 -1.8875 -1.7919 -1.6889 -1.6785 -1.3554 -1.1549 -1.0201 -1.0101 -0.9948 -0.9844 -0.2341 -0.1637 3.1356 3.3907 4.6787 5.2457 5.3025 5.3264 9.4393 9.7061 9.8146 10.0543 10.2541 10.3225 10.9637 10.9702 k = 0.5000-0.0000 0.6124 ( 6268 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6074 -17.5252 -17.5186 -17.4349 -17.4314 -17.4281 -17.4176 -17.3369 -17.3330 -17.3296 -17.3288 -10.3963 -10.3961 -10.3958 -10.3953 -7.8505 -7.8495 -7.8371 -7.8354 -7.8352 -7.8351 -1.8875 -1.7919 -1.6889 -1.6785 -1.3554 -1.1549 -1.0201 -1.0101 -0.9948 -0.9844 -0.2341 -0.1637 3.1356 3.3907 4.6787 5.2457 5.3025 5.3264 9.4393 9.7061 9.8146 10.0543 10.2541 10.3225 10.9637 10.9702 k = 0.4922 0.0135 0.6124 ( 6295 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6075 -17.5253 -17.5186 -17.4349 -17.4315 -17.4282 -17.4177 -17.3369 -17.3331 -17.3296 -17.3289 -10.3964 -10.3962 -10.3958 -10.3954 -7.8506 -7.8496 -7.8371 -7.8355 -7.8353 -7.8351 -1.8874 -1.7920 -1.6889 -1.6786 -1.3553 -1.1550 -1.0201 -1.0101 -0.9949 -0.9844 -0.2346 -0.1642 3.1355 3.3900 4.6787 5.2447 5.2851 5.3547 9.4157 9.6911 9.7765 10.0998 10.2341 10.3444 10.9759 10.9963 k = 0.4844 0.0271 0.6124 ( 6303 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6075 -17.5253 -17.5187 -17.4349 -17.4315 -17.4282 -17.4177 -17.3369 -17.3331 -17.3297 -17.3289 -10.3964 -10.3962 -10.3959 -10.3954 -7.8506 -7.8496 -7.8372 -7.8355 -7.8354 -7.8350 -1.8872 -1.7921 -1.6891 -1.6786 -1.3548 -1.1554 -1.0201 -1.0101 -0.9949 -0.9844 -0.2358 -0.1656 3.1352 3.3881 4.6777 5.2258 5.2897 5.3991 9.3449 9.6058 9.7496 10.1845 10.2145 10.3883 11.0159 11.0580 k = 0.4766 0.0406 0.6124 ( 6297 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6075 -17.5252 -17.5187 -17.4349 -17.4315 -17.4281 -17.4177 -17.3369 -17.3330 -17.3296 -17.3289 -10.3964 -10.3962 -10.3958 -10.3954 -7.8506 -7.8496 -7.8372 -7.8356 -7.8354 -7.8349 -1.8869 -1.7923 -1.6892 -1.6787 -1.3541 -1.1560 -1.0201 -1.0100 -0.9949 -0.9844 -0.2378 -0.1677 3.1347 3.3851 4.6749 5.1963 5.3178 5.4508 9.2379 9.4712 9.7490 10.1732 10.3087 10.4475 11.0773 11.1428 k = 0.4688 0.0541 0.6124 ( 6299 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6075 -17.5252 -17.5187 -17.4349 -17.4315 -17.4281 -17.4178 -17.3368 -17.3331 -17.3297 -17.3289 -10.3964 -10.3963 -10.3958 -10.3954 -7.8506 -7.8496 -7.8372 -7.8357 -7.8354 -7.8348 -1.8865 -1.7926 -1.6895 -1.6788 -1.3532 -1.1568 -1.0200 -1.0099 -0.9950 -0.9844 -0.2402 -0.1704 3.1338 3.3810 4.6701 5.1665 5.3595 5.5088 9.1090 9.3212 9.7506 10.1489 10.4243 10.5217 11.1540 11.2426 k = 0.4609 0.0677 0.6124 ( 6301 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6075 -17.5251 -17.5187 -17.4349 -17.4316 -17.4280 -17.4179 -17.3368 -17.3331 -17.3297 -17.3289 -10.3964 -10.3963 -10.3958 -10.3954 -7.8506 -7.8497 -7.8373 -7.8358 -7.8353 -7.8347 -1.8861 -1.7930 -1.6898 -1.6789 -1.3520 -1.1578 -1.0200 -1.0099 -0.9950 -0.9843 -0.2429 -0.1735 3.1325 3.3762 4.6635 5.1382 5.4120 5.5725 8.9688 9.1651 9.7501 10.1258 10.5438 10.6083 11.2416 11.3525 k = 0.4531 0.0812 0.6124 ( 6299 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6076 -17.5251 -17.5187 -17.4348 -17.4316 -17.4279 -17.4180 -17.3368 -17.3330 -17.3297 -17.3289 -10.3964 -10.3963 -10.3958 -10.3954 -7.8506 -7.8497 -7.8373 -7.8358 -7.8353 -7.8346 -1.8856 -1.7934 -1.6902 -1.6790 -1.3507 -1.1590 -1.0199 -1.0098 -0.9951 -0.9842 -0.2459 -0.1769 3.1309 3.3709 4.6554 5.1120 5.4739 5.6408 8.8239 9.0076 9.7471 10.1039 10.6653 10.7047 11.3367 11.4694 k = 0.4453 0.0947 0.6124 ( 6305 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6076 -17.5250 -17.5187 -17.4348 -17.4317 -17.4279 -17.4181 -17.3367 -17.3331 -17.3298 -17.3289 -10.3965 -10.3963 -10.3958 -10.3954 -7.8506 -7.8497 -7.8373 -7.8359 -7.8353 -7.8346 -1.8850 -1.7939 -1.6907 -1.6791 -1.3492 -1.1602 -1.0199 -1.0097 -0.9951 -0.9842 -0.2490 -0.1804 3.1291 3.3653 4.6464 5.0880 5.5433 5.7129 8.6786 8.8515 9.7423 10.0837 10.7866 10.8094 11.4366 11.5910 k = 0.4375 0.1083 0.6124 ( 6290 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6098 -17.6076 -17.5249 -17.5187 -17.4347 -17.4317 -17.4277 -17.4182 -17.3366 -17.3330 -17.3298 -17.3289 -10.3964 -10.3963 -10.3957 -10.3954 -7.8506 -7.8497 -7.8373 -7.8360 -7.8352 -7.8344 -1.8844 -1.7944 -1.6911 -1.6792 -1.3476 -1.1616 -1.0198 -1.0097 -0.9951 -0.9841 -0.2520 -0.1839 3.1270 3.3597 4.6371 5.0664 5.6186 5.7874 8.5364 8.6989 9.7365 10.0652 10.9025 10.9244 11.5392 11.7160 k = 0.4297 0.1218 0.6124 ( 6304 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6076 -17.5249 -17.5188 -17.4348 -17.4318 -17.4277 -17.4184 -17.3366 -17.3331 -17.3299 -17.3289 -10.3965 -10.3964 -10.3957 -10.3954 -7.8506 -7.8498 -7.8374 -7.8361 -7.8352 -7.8344 -1.8838 -1.7949 -1.6916 -1.6793 -1.3460 -1.1630 -1.0198 -1.0096 -0.9951 -0.9840 -0.2549 -0.1873 3.1250 3.3542 4.6278 5.0472 5.6979 5.8626 8.4000 8.5519 9.7302 10.0486 11.0127 11.0472 11.6421 11.8428 k = 0.4219 0.1353 0.6124 ( 6310 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6077 -17.5248 -17.5188 -17.4347 -17.4318 -17.4276 -17.4185 -17.3365 -17.3331 -17.3299 -17.3290 -10.3965 -10.3964 -10.3957 -10.3954 -7.8507 -7.8499 -7.8374 -7.8362 -7.8352 -7.8343 -1.8832 -1.7955 -1.6921 -1.6794 -1.3445 -1.1643 -1.0198 -1.0096 -0.9950 -0.9840 -0.2576 -0.1905 3.1229 3.3490 4.6192 5.0305 5.7790 5.9365 8.2723 8.4125 9.7239 10.0341 11.1201 11.1717 11.7428 11.9699 k = 0.4141 0.1488 0.6124 ( 6304 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6098 -17.6077 -17.5248 -17.5188 -17.4347 -17.4319 -17.4275 -17.4186 -17.3365 -17.3331 -17.3299 -17.3290 -10.3965 -10.3964 -10.3957 -10.3954 -7.8507 -7.8499 -7.8374 -7.8362 -7.8352 -7.8342 -1.8827 -1.7959 -1.6925 -1.6794 -1.3430 -1.1656 -1.0197 -1.0096 -0.9950 -0.9839 -0.2600 -0.1933 3.1210 3.3444 4.6113 5.0163 5.8594 6.0066 8.1565 8.2829 9.7180 10.0217 11.2236 11.2952 11.8381 12.0943 k = 0.4062 0.1624 0.6124 ( 6306 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6098 -17.6077 -17.5247 -17.5189 -17.4346 -17.4319 -17.4274 -17.4187 -17.3364 -17.3331 -17.3299 -17.3290 -10.3965 -10.3964 -10.3957 -10.3954 -7.8507 -7.8499 -7.8375 -7.8363 -7.8352 -7.8342 -1.8822 -1.7964 -1.6929 -1.6794 -1.3417 -1.1667 -1.0197 -1.0095 -0.9949 -0.9839 -0.2621 -0.1958 3.1193 3.3405 4.6046 5.0047 5.9361 6.0696 8.0561 8.1659 9.7129 10.0115 11.3202 11.4155 11.9244 12.2097 k = 0.3984 0.1759 0.6124 ( 6308 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6098 -17.6077 -17.5247 -17.5189 -17.4346 -17.4320 -17.4273 -17.4188 -17.3364 -17.3331 -17.3300 -17.3290 -10.3965 -10.3965 -10.3957 -10.3954 -7.8507 -7.8499 -7.8375 -7.8363 -7.8351 -7.8342 -1.8818 -1.7967 -1.6932 -1.6794 -1.3406 -1.1676 -1.0196 -1.0095 -0.9949 -0.9839 -0.2637 -0.1978 3.1179 3.3373 4.5993 4.9956 6.0053 6.1221 7.9753 8.0646 9.7088 10.0036 11.4056 11.5286 11.9974 12.3007 k = 0.3906 0.1894 0.6124 ( 6311 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6098 -17.6077 -17.5247 -17.5189 -17.4346 -17.4320 -17.4273 -17.4188 -17.3364 -17.3332 -17.3300 -17.3290 -10.3965 -10.3965 -10.3957 -10.3954 -7.8507 -7.8500 -7.8375 -7.8363 -7.8351 -7.8342 -1.8815 -1.7970 -1.6934 -1.6795 -1.3398 -1.1683 -1.0196 -1.0095 -0.9949 -0.9838 -0.2649 -0.1992 3.1169 3.3350 4.5953 4.9891 6.0622 6.1605 7.9183 7.9830 9.7057 9.9979 11.4744 11.6279 12.0532 12.3378 k = 0.3828 0.2030 0.6124 ( 6315 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6098 -17.6077 -17.5247 -17.5189 -17.4346 -17.4321 -17.4272 -17.4189 -17.3364 -17.3332 -17.3300 -17.3290 -10.3965 -10.3965 -10.3957 -10.3954 -7.8507 -7.8500 -7.8375 -7.8364 -7.8351 -7.8341 -1.8814 -1.7971 -1.6936 -1.6795 -1.3393 -1.1687 -1.0196 -1.0095 -0.9948 -0.9838 -0.2656 -0.2001 3.1162 3.3335 4.5929 4.9852 6.1011 6.1830 7.8882 7.9260 9.7038 9.9945 11.5197 11.7004 12.0896 12.3220 k = 0.3750 0.2165 0.6124 ( 6307 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6098 -17.6077 -17.5246 -17.5189 -17.4346 -17.4321 -17.4272 -17.4189 -17.3363 -17.3332 -17.3300 -17.3290 -10.3965 -10.3965 -10.3957 -10.3954 -7.8507 -7.8500 -7.8375 -7.8363 -7.8351 -7.8341 -1.8813 -1.7972 -1.6936 -1.6795 -1.3392 -1.1689 -1.0196 -1.0095 -0.9948 -0.9838 -0.2659 -0.2004 3.1160 3.3331 4.5921 4.9839 6.1152 6.1901 7.8822 7.9021 9.7032 9.9933 11.5357 11.7281 12.1031 12.3066 k = 0.3750 0.2165 0.6124 ( 6307 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6098 -17.6077 -17.5246 -17.5189 -17.4346 -17.4321 -17.4272 -17.4189 -17.3363 -17.3332 -17.3300 -17.3290 -10.3965 -10.3965 -10.3957 -10.3954 -7.8507 -7.8500 -7.8375 -7.8363 -7.8351 -7.8341 -1.8813 -1.7972 -1.6936 -1.6795 -1.3392 -1.1689 -1.0196 -1.0095 -0.9948 -0.9838 -0.2659 -0.2004 3.1160 3.3331 4.5921 4.9839 6.1152 6.1901 7.8822 7.9021 9.7032 9.9933 11.5357 11.7281 12.1031 12.3066 k = 0.3668 0.2118 0.5991 ( 6309 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6077 -17.5246 -17.5188 -17.4347 -17.4324 -17.4270 -17.4188 -17.3364 -17.3333 -17.3298 -17.3290 -10.3965 -10.3965 -10.3957 -10.3955 -7.8506 -7.8499 -7.8375 -7.8364 -7.8352 -7.8342 -1.8822 -1.7953 -1.6937 -1.6794 -1.3431 -1.1670 -1.0199 -1.0110 -0.9942 -0.9840 -0.2724 -0.2044 3.1233 3.3515 4.5509 4.9524 6.1532 6.2265 7.9182 7.9331 9.8738 10.1916 11.4490 11.6141 11.9902 12.1890 k = 0.3587 0.2071 0.5857 ( 6305 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6077 -17.5246 -17.5186 -17.4347 -17.4326 -17.4268 -17.4187 -17.3365 -17.3334 -17.3297 -17.3289 -10.3965 -10.3964 -10.3958 -10.3955 -7.8506 -7.8499 -7.8376 -7.8364 -7.8352 -7.8342 -1.8828 -1.7936 -1.6938 -1.6794 -1.3467 -1.1655 -1.0203 -1.0125 -0.9936 -0.9842 -0.2805 -0.2102 3.1314 3.3689 4.5193 4.9290 6.1935 6.2654 7.9553 7.9649 10.0353 10.3897 11.3713 11.5022 11.8802 12.0741 k = 0.3505 0.2024 0.5724 ( 6311 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6077 -17.5246 -17.5185 -17.4348 -17.4329 -17.4267 -17.4186 -17.3365 -17.3335 -17.3296 -17.3289 -10.3965 -10.3964 -10.3958 -10.3955 -7.8506 -7.8499 -7.8376 -7.8365 -7.8352 -7.8342 -1.8832 -1.7920 -1.6938 -1.6795 -1.3499 -1.1644 -1.0205 -1.0140 -0.9931 -0.9844 -0.2903 -0.2179 3.1407 3.3853 4.4978 4.9136 6.2359 6.3067 7.9933 7.9975 10.1817 10.5849 11.3059 11.3934 11.7729 11.9624 k = 0.3424 0.1977 0.5591 ( 6299 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6077 -17.5245 -17.5183 -17.4348 -17.4331 -17.4265 -17.4186 -17.3365 -17.3336 -17.3295 -17.3289 -10.3964 -10.3963 -10.3958 -10.3955 -7.8505 -7.8498 -7.8376 -7.8365 -7.8352 -7.8342 -1.8834 -1.7906 -1.6938 -1.6798 -1.3528 -1.1637 -1.0208 -1.0154 -0.9926 -0.9847 -0.3021 -0.2277 3.1513 3.4007 4.4865 4.9065 6.2802 6.3503 8.0306 8.0320 10.3050 10.7723 11.2567 11.2900 11.6685 11.8541 k = 0.3342 0.1930 0.5458 ( 6295 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6100 -17.6077 -17.5244 -17.5182 -17.4348 -17.4333 -17.4264 -17.4186 -17.3365 -17.3336 -17.3294 -17.3289 -10.3964 -10.3963 -10.3958 -10.3955 -7.8505 -7.8498 -7.8376 -7.8366 -7.8352 -7.8342 -1.8833 -1.7894 -1.6938 -1.6803 -1.3554 -1.1633 -1.0210 -1.0168 -0.9922 -0.9849 -0.3159 -0.2397 3.1638 3.4154 4.4855 4.9074 6.3263 6.3961 8.0640 8.0714 10.3963 10.9378 11.2008 11.2269 11.5670 11.7499 k = 0.3261 0.1883 0.5325 ( 6295 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6100 -17.6077 -17.5243 -17.5180 -17.4348 -17.4335 -17.4263 -17.4187 -17.3365 -17.3337 -17.3293 -17.3289 -10.3964 -10.3963 -10.3959 -10.3956 -7.8504 -7.8498 -7.8377 -7.8367 -7.8352 -7.8342 -1.8831 -1.7883 -1.6939 -1.6809 -1.3576 -1.1633 -1.0213 -1.0181 -0.9919 -0.9852 -0.3318 -0.2540 3.1785 3.4300 4.4945 4.9162 6.3740 6.4438 8.0974 8.1111 10.4498 11.0093 11.1893 11.2144 11.4686 11.6505 k = 0.3179 0.1836 0.5192 ( 6303 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6100 -17.6078 -17.5241 -17.5179 -17.4349 -17.4337 -17.4262 -17.4188 -17.3365 -17.3338 -17.3293 -17.3289 -10.3964 -10.3963 -10.3959 -10.3956 -7.8505 -7.8498 -7.8377 -7.8368 -7.8352 -7.8342 -1.8826 -1.7873 -1.6939 -1.6816 -1.3596 -1.1638 -1.0214 -1.0193 -0.9917 -0.9855 -0.3498 -0.2705 3.1959 3.4451 4.5129 4.9327 6.4232 6.4933 8.1305 8.1509 10.4675 10.9466 11.2090 11.2808 11.3744 11.5568 k = 0.3098 0.1789 0.5059 ( 6317 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6101 -17.6078 -17.5240 -17.5178 -17.4349 -17.4339 -17.4262 -17.4190 -17.3364 -17.3339 -17.3293 -17.3290 -10.3964 -10.3963 -10.3960 -10.3957 -7.8505 -7.8498 -7.8378 -7.8370 -7.8352 -7.8343 -1.8818 -1.7864 -1.6939 -1.6824 -1.3614 -1.1646 -1.0216 -1.0205 -0.9916 -0.9858 -0.3700 -0.2893 3.2162 3.4613 4.5402 4.9565 6.4738 6.5446 8.1628 8.1906 10.4584 10.8601 11.1954 11.2772 11.3573 11.4699 k = 0.3016 0.1741 0.4926 ( 6321 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6101 -17.6079 -17.5237 -17.5177 -17.4349 -17.4340 -17.4261 -17.4192 -17.3364 -17.3339 -17.3293 -17.3290 -10.3964 -10.3963 -10.3961 -10.3957 -7.8505 -7.8499 -7.8379 -7.8371 -7.8352 -7.8343 -1.8808 -1.7856 -1.6939 -1.6834 -1.3631 -1.1658 -1.0218 -1.0216 -0.9916 -0.9861 -0.3923 -0.3104 3.2399 3.4795 4.5757 4.9873 6.5256 6.5974 8.1940 8.2297 10.4330 10.7729 11.1633 11.1894 11.3783 11.3897 k = 0.2935 0.1694 0.4792 ( 6313 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6101 -17.6079 -17.5235 -17.5175 -17.4348 -17.4341 -17.4261 -17.4194 -17.3363 -17.3339 -17.3293 -17.3290 -10.3964 -10.3962 -10.3961 -10.3958 -7.8505 -7.8499 -7.8379 -7.8372 -7.8352 -7.8343 -1.8796 -1.7850 -1.6939 -1.6844 -1.3646 -1.1675 -1.0227 -1.0219 -0.9916 -0.9865 -0.4166 -0.3336 3.2674 3.5003 4.6186 5.0247 6.5783 6.6516 8.2237 8.2679 10.3996 10.6886 11.1036 11.1120 11.3139 11.3585 k = 0.2853 0.1647 0.4659 ( 6313 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6101 -17.6080 -17.5232 -17.5174 -17.4348 -17.4342 -17.4261 -17.4197 -17.3362 -17.3339 -17.3293 -17.3291 -10.3964 -10.3962 -10.3961 -10.3958 -7.8505 -7.8499 -7.8379 -7.8373 -7.8352 -7.8343 -1.8782 -1.7844 -1.6939 -1.6855 -1.3661 -1.1696 -1.0236 -1.0221 -0.9918 -0.9868 -0.4428 -0.3589 3.2988 3.5242 4.6682 5.0683 6.6319 6.7070 8.2514 8.3046 10.3636 10.6085 11.0211 11.0476 11.2393 11.3119 k = 0.2772 0.1600 0.4526 ( 6309 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6101 -17.6081 -17.5229 -17.5172 -17.4348 -17.4343 -17.4261 -17.4200 -17.3360 -17.3339 -17.3293 -17.3291 -10.3964 -10.3962 -10.3961 -10.3958 -7.8505 -7.8500 -7.8380 -7.8374 -7.8352 -7.8343 -1.8766 -1.7838 -1.6940 -1.6867 -1.3675 -1.1722 -1.0245 -1.0222 -0.9920 -0.9872 -0.4708 -0.3861 3.3344 3.5519 4.7240 5.1179 6.6861 6.7635 8.2765 8.3394 10.3284 10.5330 10.9422 10.9765 11.1633 11.2503 k = 0.2690 0.1553 0.4393 ( 6307 PWs) bands (ev): -45.5529 -45.5529 -45.4579 -45.4579 -17.6101 -17.6081 -17.5225 -17.5171 -17.4347 -17.4343 -17.4261 -17.4203 -17.3359 -17.3339 -17.3293 -17.3292 -10.3964 -10.3963 -10.3961 -10.3958 -7.8505 -7.8500 -7.8380 -7.8375 -7.8352 -7.8343 -1.8747 -1.7834 -1.6940 -1.6880 -1.3691 -1.1754 -1.0253 -1.0223 -0.9923 -0.9876 -0.5003 -0.4149 3.3745 3.5838 4.7853 5.1731 6.7407 6.8209 8.2988 8.3718 10.2961 10.4626 10.8670 10.9033 11.0854 11.1812 k = 0.2609 0.1506 0.4260 ( 6311 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6101 -17.6082 -17.5222 -17.5169 -17.4347 -17.4343 -17.4262 -17.4206 -17.3358 -17.3339 -17.3293 -17.3293 -10.3965 -10.3963 -10.3961 -10.3959 -7.8506 -7.8501 -7.8380 -7.8376 -7.8353 -7.8344 -1.8726 -1.7829 -1.6941 -1.6892 -1.3707 -1.1791 -1.0261 -1.0224 -0.9927 -0.9880 -0.5310 -0.4453 3.4190 3.6200 4.8516 5.2334 6.7954 6.8790 8.3177 8.4013 10.2681 10.3974 10.7955 10.8309 11.0061 11.1092 k = 0.2527 0.1459 0.4127 ( 6311 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6101 -17.6083 -17.5218 -17.5167 -17.4346 -17.4344 -17.4263 -17.4210 -17.3356 -17.3339 -17.3294 -17.3293 -10.3965 -10.3963 -10.3961 -10.3959 -7.8506 -7.8502 -7.8381 -7.8376 -7.8353 -7.8344 -1.8704 -1.7825 -1.6942 -1.6905 -1.3726 -1.1834 -1.0268 -1.0225 -0.9932 -0.9884 -0.5628 -0.4769 3.4681 3.6608 4.9225 5.2987 6.8499 6.9376 8.3330 8.4271 10.2450 10.3374 10.7280 10.7610 10.9261 11.0372 k = 0.2446 0.1412 0.3994 ( 6309 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6101 -17.6084 -17.5214 -17.5165 -17.4346 -17.4344 -17.4264 -17.4214 -17.3355 -17.3338 -17.3294 -17.3294 -10.3965 -10.3964 -10.3961 -10.3959 -7.8507 -7.8503 -7.8381 -7.8377 -7.8354 -7.8345 -1.8679 -1.7822 -1.6942 -1.6918 -1.3747 -1.1885 -1.0275 -1.0226 -0.9937 -0.9889 -0.5954 -0.5095 3.5218 3.7063 4.9976 5.3685 6.9041 6.9964 8.3446 8.4490 10.2266 10.2825 10.6642 10.6952 10.8461 10.9675 k = 0.2364 0.1365 0.3861 ( 6309 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6101 -17.6085 -17.5209 -17.5163 -17.4345 -17.4343 -17.4265 -17.4218 -17.3353 -17.3338 -17.3295 -17.3295 -10.3966 -10.3964 -10.3962 -10.3960 -7.8507 -7.8504 -7.8381 -7.8378 -7.8354 -7.8346 -1.8652 -1.7818 -1.6944 -1.6931 -1.3771 -1.1944 -1.0281 -1.0227 -0.9943 -0.9894 -0.6283 -0.5429 3.5801 3.7565 5.0765 5.4427 6.9576 7.0554 8.3522 8.4663 10.2122 10.2324 10.6040 10.6350 10.7669 10.9019 k = 0.2283 0.1318 0.3727 ( 6313 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6101 -17.6086 -17.5205 -17.5162 -17.4344 -17.4343 -17.4266 -17.4223 -17.3351 -17.3337 -17.3296 -17.3296 -10.3966 -10.3965 -10.3962 -10.3960 -7.8508 -7.8505 -7.8382 -7.8379 -7.8355 -7.8346 -1.8623 -1.7815 -1.6945 -1.6944 -1.3800 -1.2012 -1.0287 -1.0228 -0.9950 -0.9898 -0.6613 -0.5766 3.6428 3.8115 5.1589 5.5209 7.0100 7.1141 8.3562 8.4788 10.1864 10.2000 10.5468 10.5825 10.6892 10.8426 k = 0.2201 0.1271 0.3594 ( 6311 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6101 -17.6087 -17.5200 -17.5159 -17.4344 -17.4343 -17.4268 -17.4227 -17.3349 -17.3336 -17.3297 -17.3296 -10.3967 -10.3965 -10.3962 -10.3961 -7.8509 -7.8506 -7.8382 -7.8379 -7.8356 -7.8347 -1.8592 -1.7811 -1.6956 -1.6946 -1.3833 -1.2090 -1.0293 -1.0229 -0.9957 -0.9903 -0.6941 -0.6105 3.7099 3.8710 5.2444 5.6028 7.0611 7.1725 8.3566 8.4864 10.1439 10.1874 10.4917 10.5399 10.6138 10.7915 k = 0.2120 0.1224 0.3461 ( 6323 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6101 -17.6089 -17.5195 -17.5158 -17.4343 -17.4343 -17.4270 -17.4232 -17.3348 -17.3336 -17.3298 -17.3297 -10.3967 -10.3966 -10.3963 -10.3961 -7.8510 -7.8507 -7.8382 -7.8380 -7.8358 -7.8348 -1.8559 -1.7807 -1.6968 -1.6948 -1.3871 -1.2180 -1.0298 -1.0231 -0.9964 -0.9909 -0.7262 -0.6443 3.7812 3.9349 5.3328 5.6882 7.1105 7.2302 8.3540 8.4890 10.1040 10.1710 10.4377 10.5067 10.5446 10.7506 k = 0.2038 0.1177 0.3328 ( 6309 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6101 -17.6089 -17.5190 -17.5155 -17.4342 -17.4342 -17.4272 -17.4237 -17.3345 -17.3335 -17.3298 -17.3298 -10.3967 -10.3966 -10.3962 -10.3961 -7.8510 -7.8508 -7.8382 -7.8380 -7.8358 -7.8349 -1.8524 -1.7803 -1.6980 -1.6950 -1.3916 -1.2283 -1.0304 -1.0233 -0.9972 -0.9914 -0.7573 -0.6776 3.8567 4.0032 5.4238 5.7767 7.1578 7.2871 8.3488 8.4869 10.0661 10.1481 10.3839 10.4573 10.5096 10.7212 k = 0.1957 0.1130 0.3195 ( 6309 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6101 -17.6090 -17.5185 -17.5152 -17.4341 -17.4341 -17.4274 -17.4242 -17.3343 -17.3334 -17.3299 -17.3299 -10.3968 -10.3966 -10.3963 -10.3962 -7.8511 -7.8509 -7.8382 -7.8381 -7.8360 -7.8350 -1.8488 -1.7799 -1.6991 -1.6952 -1.3968 -1.2400 -1.0309 -1.0235 -0.9980 -0.9920 -0.7871 -0.7102 3.9361 4.0757 5.5170 5.8680 7.2027 7.3429 8.3417 8.4804 10.0295 10.1181 10.3297 10.3908 10.5098 10.7040 k = 0.1875 0.1083 0.3062 ( 6309 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6101 -17.6091 -17.5179 -17.5150 -17.4340 -17.4340 -17.4276 -17.4247 -17.3342 -17.3333 -17.3300 -17.3300 -10.3968 -10.3967 -10.3963 -10.3963 -7.8512 -7.8510 -7.8382 -7.8381 -7.8361 -7.8352 -1.8449 -1.7793 -1.7002 -1.6955 -1.4028 -1.2532 -1.0315 -1.0237 -0.9988 -0.9925 -0.8152 -0.7418 4.0193 4.1520 5.6121 5.9617 7.2450 7.3974 8.3334 8.4701 9.9938 10.0823 10.2753 10.3246 10.5257 10.6982 k = 0.1793 0.1035 0.2929 ( 6309 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6101 -17.6092 -17.5174 -17.5147 -17.4339 -17.4339 -17.4278 -17.4252 -17.3340 -17.3332 -17.3301 -17.3301 -10.3968 -10.3967 -10.3964 -10.3963 -7.8513 -7.8511 -7.8382 -7.8382 -7.8362 -7.8353 -1.8409 -1.7788 -1.7012 -1.6957 -1.4096 -1.2681 -1.0320 -1.0241 -0.9996 -0.9931 -0.8413 -0.7722 4.1060 4.2321 5.7088 6.0575 7.2844 7.4504 8.3245 8.4567 9.9591 10.0430 10.2210 10.2609 10.5520 10.7023 k = 0.1712 0.0988 0.2796 ( 6305 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6101 -17.6093 -17.5169 -17.5144 -17.4338 -17.4338 -17.4281 -17.4257 -17.3338 -17.3331 -17.3302 -17.3301 -10.3968 -10.3967 -10.3964 -10.3964 -7.8513 -7.8512 -7.8382 -7.8382 -7.8364 -7.8355 -1.8367 -1.7781 -1.7021 -1.6960 -1.4173 -1.2845 -1.0326 -1.0244 -1.0004 -0.9937 -0.8653 -0.8011 4.1961 4.3155 5.8068 6.1548 7.3209 7.5017 8.3157 8.4408 9.9251 10.0020 10.1676 10.2002 10.5850 10.7140 k = 0.1630 0.0941 0.2662 ( 6301 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6101 -17.6094 -17.5163 -17.5141 -17.4337 -17.4337 -17.4283 -17.4263 -17.3336 -17.3330 -17.3303 -17.3302 -10.3968 -10.3967 -10.3964 -10.3964 -7.8514 -7.8513 -7.8382 -7.8382 -7.8365 -7.8356 -1.8323 -1.7774 -1.7030 -1.6963 -1.4260 -1.3026 -1.0333 -1.0249 -1.0012 -0.9943 -0.8871 -0.8284 4.2892 4.4022 5.9054 6.2529 7.3544 7.5513 8.3075 8.4232 9.8921 9.9605 10.1155 10.1427 10.6215 10.7309 k = 0.1549 0.0894 0.2529 ( 6299 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6101 -17.6095 -17.5158 -17.5139 -17.4336 -17.4336 -17.4286 -17.4268 -17.3334 -17.3329 -17.3304 -17.3303 -10.3969 -10.3968 -10.3965 -10.3965 -7.8515 -7.8514 -7.8382 -7.8382 -7.8367 -7.8357 -1.8278 -1.7765 -1.7038 -1.6967 -1.4356 -1.3222 -1.0340 -1.0255 -1.0019 -0.9949 -0.9065 -0.8537 4.3852 4.4917 6.0043 6.3512 7.3854 7.5990 8.3005 8.4048 9.8602 9.9195 10.0653 10.0886 10.6585 10.7496 k = 0.1467 0.0847 0.2396 ( 6291 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6101 -17.6096 -17.5152 -17.5135 -17.4335 -17.4335 -17.4289 -17.4272 -17.3332 -17.3328 -17.3305 -17.3304 -10.3969 -10.3968 -10.3965 -10.3965 -7.8515 -7.8515 -7.8382 -7.8382 -7.8368 -7.8359 -1.8230 -1.7755 -1.7045 -1.6970 -1.4462 -1.3431 -1.0349 -1.0262 -1.0026 -0.9956 -0.9235 -0.8771 4.4838 4.5838 6.1028 6.4485 7.4144 7.6449 8.2950 8.3863 9.8295 9.8793 10.0174 10.0381 10.6926 10.7665 k = 0.1386 0.0800 0.2263 ( 6293 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6102 -17.6097 -17.5147 -17.5132 -17.4334 -17.4334 -17.4291 -17.4278 -17.3330 -17.3327 -17.3306 -17.3305 -10.3969 -10.3968 -10.3966 -10.3965 -7.8516 -7.8515 -7.8383 -7.8382 -7.8370 -7.8361 -1.8181 -1.7744 -1.7051 -1.6974 -1.4578 -1.3650 -1.0359 -1.0271 -1.0033 -0.9962 -0.9384 -0.8984 4.5846 4.6781 6.2003 6.5436 7.4425 7.6890 8.2913 8.3684 9.8001 9.8405 9.9720 9.9913 10.7199 10.7771 k = 0.1304 0.0753 0.2130 ( 6293 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6102 -17.6098 -17.5142 -17.5129 -17.4333 -17.4333 -17.4294 -17.4282 -17.3329 -17.3326 -17.3307 -17.3306 -10.3970 -10.3969 -10.3966 -10.3966 -7.8517 -7.8516 -7.8383 -7.8382 -7.8371 -7.8362 -1.8129 -1.7730 -1.7057 -1.6978 -1.4702 -1.3878 -1.0370 -1.0282 -1.0039 -0.9968 -0.9511 -0.9174 4.6873 4.7743 6.2959 6.6346 7.4712 7.7316 8.2896 8.3518 9.7723 9.8032 9.9294 9.9481 10.7360 10.7764 k = 0.1223 0.0706 0.1997 ( 6285 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6102 -17.6099 -17.5137 -17.5126 -17.4332 -17.4332 -17.4297 -17.4287 -17.3327 -17.3324 -17.3307 -17.3307 -10.3970 -10.3969 -10.3966 -10.3966 -7.8518 -7.8517 -7.8383 -7.8382 -7.8372 -7.8364 -1.8076 -1.7715 -1.7062 -1.6983 -1.4834 -1.4110 -1.0382 -1.0296 -1.0045 -0.9975 -0.9619 -0.9342 4.7916 4.8719 6.3886 6.7192 7.5027 7.7729 8.2899 8.3372 9.7461 9.7678 9.8897 9.9086 10.7358 10.7593 k = 0.1141 0.0659 0.1864 ( 6285 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6102 -17.6099 -17.5132 -17.5123 -17.4332 -17.4331 -17.4300 -17.4291 -17.3325 -17.3323 -17.3308 -17.3308 -10.3970 -10.3969 -10.3967 -10.3967 -7.8518 -7.8518 -7.8383 -7.8382 -7.8374 -7.8365 -1.8021 -1.7697 -1.7066 -1.6987 -1.4973 -1.4345 -1.0397 -1.0313 -1.0050 -0.9981 -0.9710 -0.9488 4.8969 4.9705 6.4774 6.7949 7.5395 7.8135 8.2920 8.3253 9.7219 9.7346 9.8530 9.8726 10.7150 10.7217 k = 0.1060 0.0612 0.1731 ( 6273 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6102 -17.6100 -17.5127 -17.5120 -17.4330 -17.4330 -17.4302 -17.4295 -17.3324 -17.3322 -17.3309 -17.3308 -10.3970 -10.3969 -10.3967 -10.3967 -7.8519 -7.8519 -7.8382 -7.8381 -7.8375 -7.8367 -1.7964 -1.7677 -1.7069 -1.6992 -1.5117 -1.4579 -1.0413 -1.0333 -1.0055 -0.9987 -0.9785 -0.9612 5.0029 5.0696 6.5609 6.8588 7.5843 7.8539 8.2960 8.3165 9.6997 9.7038 9.8193 9.8401 10.6625 10.6711 k = 0.0978 0.0565 0.1597 ( 6275 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6102 -17.6100 -17.5123 -17.5117 -17.4330 -17.4329 -17.4305 -17.4300 -17.3322 -17.3321 -17.3309 -17.3309 -10.3970 -10.3969 -10.3968 -10.3967 -7.8520 -7.8519 -7.8383 -7.8381 -7.8376 -7.8369 -1.7904 -1.7653 -1.7072 -1.6997 -1.5265 -1.4811 -1.0431 -1.0357 -1.0059 -0.9994 -0.9847 -0.9714 5.1090 5.1687 6.6378 6.9089 7.6391 7.8948 8.3017 8.3111 9.6758 9.6799 9.7886 9.8108 10.5836 10.6046 k = 0.0897 0.0518 0.1464 ( 6291 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6103 -17.6102 -17.5119 -17.5115 -17.4329 -17.4329 -17.4308 -17.4304 -17.3322 -17.3321 -17.3310 -17.3310 -10.3971 -10.3970 -10.3969 -10.3968 -7.8521 -7.8521 -7.8383 -7.8382 -7.8378 -7.8371 -1.7842 -1.7626 -1.7074 -1.7002 -1.5415 -1.5037 -1.0450 -1.0385 -1.0062 -1.0000 -0.9897 -0.9797 5.2145 5.2671 6.7066 6.9444 7.7043 7.9372 8.3088 8.3096 9.6509 9.6626 9.7610 9.7847 10.4897 10.5194 k = 0.0815 0.0471 0.1331 ( 6281 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6103 -17.6102 -17.5115 -17.5112 -17.4328 -17.4328 -17.4311 -17.4307 -17.3320 -17.3319 -17.3311 -17.3311 -10.3971 -10.3970 -10.3969 -10.3968 -7.8521 -7.8521 -7.8383 -7.8382 -7.8378 -7.8372 -1.7777 -1.7595 -1.7075 -1.7007 -1.5566 -1.5257 -1.0471 -1.0415 -1.0065 -1.0006 -0.9937 -0.9861 5.3187 5.3641 6.7661 6.9661 7.7790 7.9817 8.3118 8.3173 9.6292 9.6480 9.7364 9.7617 10.3862 10.4207 k = 0.0734 0.0424 0.1198 ( 6287 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6103 -17.6103 -17.5112 -17.5109 -17.4328 -17.4328 -17.4313 -17.4311 -17.3319 -17.3318 -17.3312 -17.3312 -10.3971 -10.3970 -10.3969 -10.3969 -7.8522 -7.8522 -7.8383 -7.8382 -7.8379 -7.8373 -1.7710 -1.7560 -1.7076 -1.7012 -1.5716 -1.5469 -1.0491 -1.0446 -1.0067 -1.0012 -0.9968 -0.9912 5.4208 5.4589 6.8152 6.9758 7.8607 8.0289 8.3175 8.3270 9.6108 9.6358 9.7150 9.7417 10.2783 10.3141 k = 0.0652 0.0377 0.1065 ( 6283 PWs) bands (ev): -45.5531 -45.5531 -45.4577 -45.4577 -17.6103 -17.6103 -17.5109 -17.5107 -17.4327 -17.4327 -17.4315 -17.4314 -17.3318 -17.3318 -17.3312 -17.3312 -10.3971 -10.3970 -10.3970 -10.3970 -7.8522 -7.8522 -7.8383 -7.8382 -7.8380 -7.8375 -1.7640 -1.7520 -1.7076 -1.7017 -1.5864 -1.5671 -1.0511 -1.0477 -1.0068 -1.0018 -0.9993 -0.9950 5.5196 5.5506 6.8533 6.9760 7.9464 8.0790 8.3264 8.3376 9.5958 9.6254 9.6975 9.7249 10.1705 10.2047 k = 0.0571 0.0329 0.0932 ( 6281 PWs) bands (ev): -45.5531 -45.5531 -45.4577 -45.4577 -17.6104 -17.6103 -17.5106 -17.5105 -17.4326 -17.4326 -17.4317 -17.4316 -17.3317 -17.3317 -17.3313 -17.3313 -10.3971 -10.3970 -10.3970 -10.3970 -7.8523 -7.8523 -7.8383 -7.8382 -7.8381 -7.8376 -1.7567 -1.7474 -1.7075 -1.7022 -1.6009 -1.5864 -1.0530 -1.0506 -1.0069 -1.0024 -1.0012 -0.9979 5.6140 5.6381 6.8804 6.9690 8.0329 8.1315 8.3378 8.3488 9.5836 9.6151 9.6850 9.7114 10.0669 10.0970 k = 0.0489 0.0282 0.0799 ( 6277 PWs) bands (ev): -45.5531 -45.5531 -45.4577 -45.4577 -17.6104 -17.6103 -17.5103 -17.5103 -17.4326 -17.4326 -17.4319 -17.4319 -17.3316 -17.3316 -17.3313 -17.3313 -10.3971 -10.3970 -10.3970 -10.3970 -7.8523 -7.8523 -7.8383 -7.8382 -7.8381 -7.8377 -1.7491 -1.7423 -1.7074 -1.7027 -1.6150 -1.6044 -1.0548 -1.0532 -1.0069 -1.0030 -1.0026 -1.0000 5.7026 5.7201 6.8973 6.9569 8.1172 8.1854 8.3507 8.3604 9.5732 9.6027 9.6787 9.7015 9.9712 9.9952 k = 0.0408 0.0235 0.0666 ( 6283 PWs) bands (ev): -45.5532 -45.5532 -45.4577 -45.4577 -17.6104 -17.6104 -17.5101 -17.5101 -17.4326 -17.4326 -17.4321 -17.4321 -17.3316 -17.3316 -17.3314 -17.3314 -10.3971 -10.3971 -10.3971 -10.3971 -7.8523 -7.8523 -7.8383 -7.8382 -7.8382 -7.8378 -1.7411 -1.7365 -1.7072 -1.7032 -1.6285 -1.6213 -1.0564 -1.0554 -1.0068 -1.0037 -1.0035 -1.0017 5.7834 5.7951 6.9051 6.9418 8.1961 8.2390 8.3643 8.3719 9.5630 9.5862 9.6791 9.6957 9.8873 9.9038 k = 0.0326 0.0188 0.0532 ( 6289 PWs) bands (ev): -45.5532 -45.5532 -45.4577 -45.4577 -17.6104 -17.6104 -17.5100 -17.5100 -17.4325 -17.4325 -17.4322 -17.4322 -17.3316 -17.3316 -17.3314 -17.3314 -10.3971 -10.3971 -10.3971 -10.3971 -7.8524 -7.8524 -7.8383 -7.8382 -7.8382 -7.8380 -1.7329 -1.7301 -1.7069 -1.7038 -1.6415 -1.6369 -1.0577 -1.0573 -1.0067 -1.0045 -1.0041 -1.0029 5.8544 5.8613 6.9058 6.9257 8.2666 8.2900 8.3774 8.3827 9.5504 9.5652 9.6847 9.6943 9.8188 9.8273 k = 0.0245 0.0141 0.0399 ( 6285 PWs) bands (ev): -45.5532 -45.5532 -45.4577 -45.4577 -17.6104 -17.6104 -17.5099 -17.5099 -17.4325 -17.4325 -17.4323 -17.4323 -17.3315 -17.3315 -17.3314 -17.3314 -10.3971 -10.3971 -10.3971 -10.3971 -7.8524 -7.8524 -7.8383 -7.8382 -7.8382 -7.8380 -1.7245 -1.7231 -1.7067 -1.7042 -1.6536 -1.6511 -1.0589 -1.0586 -1.0065 -1.0051 -1.0046 -1.0038 5.9134 5.9166 6.9017 6.9105 8.3255 8.3357 8.3890 8.3922 9.5338 9.5407 9.6930 9.6968 9.7680 9.7700 k = 0.0163 0.0094 0.0266 ( 6285 PWs) bands (ev): -45.5532 -45.5532 -45.4577 -45.4577 -17.6104 -17.6104 -17.5098 -17.5098 -17.4325 -17.4325 -17.4324 -17.4324 -17.3315 -17.3315 -17.3314 -17.3314 -10.3971 -10.3971 -10.3971 -10.3971 -7.8524 -7.8524 -7.8383 -7.8382 -7.8382 -7.8381 -1.7162 -1.7158 -1.7063 -1.7047 -1.6647 -1.6636 -1.0597 -1.0596 -1.0062 -1.0054 -1.0050 -1.0045 5.9577 5.9588 6.8955 6.8982 8.3698 8.3725 8.3980 8.3997 9.5147 9.5167 9.7014 9.7018 9.7332 9.7345 k = 0.0082 0.0047 0.0133 ( 6265 PWs) bands (ev): -45.5531 -45.5531 -45.4577 -45.4577 -17.6104 -17.6104 -17.5097 -17.5097 -17.4324 -17.4324 -17.4324 -17.4324 -17.3315 -17.3315 -17.3314 -17.3314 -10.3971 -10.3971 -10.3971 -10.3971 -7.8524 -7.8524 -7.8382 -7.8382 -7.8382 -7.8381 -1.7090 -1.7089 -1.7060 -1.7052 -1.6737 -1.6735 -1.0602 -1.0602 -1.0059 -1.0055 -1.0053 -1.0051 5.9852 5.9854 6.8900 6.8904 8.3970 8.3971 8.4038 8.4045 9.4988 9.4991 9.7068 9.7073 9.7143 9.7158 k = 0.0000 0.0000 0.0000 ( 6231 PWs) bands (ev): -45.5531 -45.5531 -45.4577 -45.4577 -17.6103 -17.6103 -17.5096 -17.5096 -17.4323 -17.4323 -17.4323 -17.4323 -17.3314 -17.3314 -17.3314 -17.3314 -10.3970 -10.3970 -10.3970 -10.3970 -7.8523 -7.8523 -7.8381 -7.8381 -7.8381 -7.8381 -1.7056 -1.7056 -1.7056 -1.7056 -1.6778 -1.6778 -1.0604 -1.0604 -1.0055 -1.0055 -1.0055 -1.0055 5.9946 5.9946 6.8878 6.8878 8.4060 8.4060 8.4060 8.4060 9.4926 9.4926 9.7092 9.7092 9.7092 9.7092 k = 0.0000 0.0000 0.0000 ( 6231 PWs) bands (ev): -45.5531 -45.5531 -45.4577 -45.4577 -17.6103 -17.6103 -17.5096 -17.5096 -17.4323 -17.4323 -17.4323 -17.4323 -17.3314 -17.3314 -17.3314 -17.3314 -10.3970 -10.3970 -10.3970 -10.3970 -7.8523 -7.8523 -7.8381 -7.8381 -7.8381 -7.8381 -1.7056 -1.7056 -1.7056 -1.7056 -1.6778 -1.6778 -1.0604 -1.0604 -1.0055 -1.0055 -1.0055 -1.0055 5.9946 5.9946 6.8878 6.8878 8.4060 8.4060 8.4060 8.4060 9.4926 9.4926 9.7092 9.7092 9.7092 9.7092 k = 0.0135 0.0078 0.0055 ( 6267 PWs) bands (ev): -45.5532 -45.5532 -45.4577 -45.4577 -17.6104 -17.6104 -17.5097 -17.5097 -17.4324 -17.4324 -17.4324 -17.4324 -17.3315 -17.3315 -17.3314 -17.3314 -10.3971 -10.3971 -10.3971 -10.3971 -7.8524 -7.8524 -7.8382 -7.8382 -7.8382 -7.8381 -1.7090 -1.7090 -1.7060 -1.7051 -1.6735 -1.6735 -1.0602 -1.0602 -1.0059 -1.0054 -1.0054 -1.0050 5.9850 5.9850 6.8903 6.8903 8.3989 8.3989 8.4015 8.4024 9.4993 9.4993 9.7080 9.7080 9.7130 9.7151 k = 0.0270 0.0156 0.0110 ( 6276 PWs) bands (ev): -45.5532 -45.5532 -45.4577 -45.4577 -17.6104 -17.6104 -17.5098 -17.5098 -17.4324 -17.4324 -17.4324 -17.4324 -17.3315 -17.3315 -17.3314 -17.3314 -10.3971 -10.3971 -10.3971 -10.3971 -7.8524 -7.8524 -7.8382 -7.8382 -7.8382 -7.8381 -1.7162 -1.7162 -1.7065 -1.7047 -1.6638 -1.6638 -1.0596 -1.0596 -1.0062 -1.0052 -1.0052 -1.0045 5.9571 5.9571 6.8972 6.8972 8.3782 8.3782 8.3893 8.3910 9.5189 9.5189 9.7051 9.7051 9.7265 9.7307 k = 0.0405 0.0234 0.0166 ( 6291 PWs) bands (ev): -45.5532 -45.5532 -45.4577 -45.4577 -17.6104 -17.6104 -17.5099 -17.5099 -17.4325 -17.4325 -17.4323 -17.4323 -17.3315 -17.3315 -17.3314 -17.3314 -10.3971 -10.3971 -10.3971 -10.3971 -7.8524 -7.8524 -7.8383 -7.8382 -7.8382 -7.8381 -1.7242 -1.7242 -1.7069 -1.7042 -1.6518 -1.6518 -1.0587 -1.0587 -1.0065 -1.0047 -1.0047 -1.0039 5.9123 5.9123 6.9072 6.9072 8.3453 8.3453 8.3699 8.3723 9.5501 9.5501 9.7027 9.7027 9.7489 9.7551 k = 0.0541 0.0312 0.0221 ( 6294 PWs) bands (ev): -45.5532 -45.5532 -45.4577 -45.4577 -17.6104 -17.6104 -17.5100 -17.5100 -17.4326 -17.4326 -17.4322 -17.4322 -17.3316 -17.3316 -17.3314 -17.3314 -10.3972 -10.3971 -10.3971 -10.3971 -7.8524 -7.8524 -7.8383 -7.8383 -7.8383 -7.8380 -1.7319 -1.7319 -1.7073 -1.7037 -1.6383 -1.6383 -1.0574 -1.0574 -1.0067 -1.0040 -1.0040 -1.0033 5.8529 5.8529 6.9185 6.9185 8.3023 8.3023 8.3443 8.3472 9.5905 9.5905 9.7039 9.7039 9.7792 9.7872 k = 0.0676 0.0390 0.0276 ( 6294 PWs) bands (ev): -45.5532 -45.5532 -45.4577 -45.4577 -17.6104 -17.6104 -17.5102 -17.5102 -17.4326 -17.4326 -17.4321 -17.4321 -17.3316 -17.3316 -17.3314 -17.3314 -10.3971 -10.3971 -10.3971 -10.3971 -7.8524 -7.8524 -7.8383 -7.8383 -7.8382 -7.8379 -1.7393 -1.7393 -1.7076 -1.7032 -1.6237 -1.6237 -1.0558 -1.0558 -1.0068 -1.0030 -1.0030 -1.0026 5.7811 5.7811 6.9292 6.9292 8.2512 8.2512 8.3134 8.3168 9.6357 9.6357 9.7134 9.7134 9.8159 9.8258 k = 0.0811 0.0468 0.0331 ( 6288 PWs) bands (ev): -45.5531 -45.5531 -45.4577 -45.4577 -17.6104 -17.6104 -17.5103 -17.5103 -17.4327 -17.4327 -17.4319 -17.4319 -17.3317 -17.3317 -17.3313 -17.3313 -10.3971 -10.3971 -10.3971 -10.3971 -7.8523 -7.8523 -7.8383 -7.8383 -7.8382 -7.8377 -1.7462 -1.7462 -1.7079 -1.7027 -1.6081 -1.6081 -1.0539 -1.0539 -1.0068 -1.0019 -1.0016 -1.0016 5.6991 5.6991 6.9381 6.9381 8.1942 8.1942 8.2782 8.2820 9.6750 9.6750 9.7422 9.7422 9.8578 9.8693 k = 0.0946 0.0546 0.0386 ( 6282 PWs) bands (ev): -45.5531 -45.5531 -45.4577 -45.4577 -17.6103 -17.6103 -17.5105 -17.5105 -17.4327 -17.4327 -17.4316 -17.4316 -17.3317 -17.3317 -17.3312 -17.3312 -10.3971 -10.3970 -10.3970 -10.3970 -7.8523 -7.8523 -7.8382 -7.8382 -7.8381 -7.8376 -1.7527 -1.7527 -1.7082 -1.7023 -1.5915 -1.5915 -1.0517 -1.0517 -1.0068 -1.0011 -0.9998 -0.9998 5.6086 5.6086 6.9440 6.9440 8.1332 8.1332 8.2399 8.2439 9.7014 9.7014 9.7964 9.7964 9.9033 9.9164 k = 0.1081 0.0624 0.0441 ( 6282 PWs) bands (ev): -45.5531 -45.5531 -45.4577 -45.4577 -17.6103 -17.6103 -17.5108 -17.5108 -17.4328 -17.4328 -17.4314 -17.4314 -17.3318 -17.3318 -17.3312 -17.3312 -10.3971 -10.3970 -10.3970 -10.3970 -7.8522 -7.8522 -7.8383 -7.8383 -7.8380 -7.8374 -1.7587 -1.7587 -1.7085 -1.7018 -1.5742 -1.5742 -1.0493 -1.0493 -1.0067 -1.0003 -0.9973 -0.9973 5.5111 5.5111 6.9465 6.9465 8.0698 8.0698 8.1991 8.2033 9.7248 9.7248 9.8656 9.8656 9.9509 9.9654 k = 0.1216 0.0702 0.0497 ( 6276 PWs) bands (ev): -45.5531 -45.5531 -45.4577 -45.4577 -17.6103 -17.6103 -17.5111 -17.5111 -17.4328 -17.4328 -17.4311 -17.4311 -17.3319 -17.3319 -17.3311 -17.3311 -10.3971 -10.3970 -10.3969 -10.3969 -7.8521 -7.8521 -7.8383 -7.8383 -7.8379 -7.8373 -1.7643 -1.7643 -1.7087 -1.7013 -1.5562 -1.5562 -1.0468 -1.0468 -1.0065 -0.9995 -0.9940 -0.9940 5.4080 5.4080 6.9452 6.9452 8.0051 8.0051 8.1568 8.1610 9.7504 9.7504 9.9432 9.9432 9.9990 10.0149 k = 0.1351 0.0780 0.0552 ( 6279 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6102 -17.6102 -17.5114 -17.5114 -17.4329 -17.4329 -17.4307 -17.4307 -17.3320 -17.3320 -17.3310 -17.3310 -10.3971 -10.3969 -10.3969 -10.3969 -7.8521 -7.8521 -7.8383 -7.8383 -7.8378 -7.8371 -1.7695 -1.7695 -1.7089 -1.7009 -1.5376 -1.5376 -1.0443 -1.0443 -1.0063 -0.9987 -0.9897 -0.9897 5.3004 5.3004 6.9402 6.9402 7.9404 7.9404 8.1134 8.1177 9.7791 9.7791 10.0269 10.0269 10.0462 10.0633 k = 0.1486 0.0858 0.0607 ( 6276 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6102 -17.6102 -17.5117 -17.5117 -17.4330 -17.4330 -17.4304 -17.4304 -17.3321 -17.3321 -17.3310 -17.3309 -10.3970 -10.3969 -10.3968 -10.3968 -7.8520 -7.8520 -7.8383 -7.8383 -7.8376 -7.8369 -1.7744 -1.7744 -1.7091 -1.7005 -1.5186 -1.5186 -1.0419 -1.0419 -1.0059 -0.9978 -0.9841 -0.9841 5.1892 5.1892 6.9317 6.9317 7.8764 7.8764 8.0696 8.0738 9.8101 9.8101 10.0909 10.1090 10.1159 10.1159 k = 0.1622 0.0936 0.0662 ( 6279 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6101 -17.6101 -17.5121 -17.5121 -17.4331 -17.4331 -17.4301 -17.4301 -17.3323 -17.3323 -17.3309 -17.3309 -10.3970 -10.3969 -10.3968 -10.3968 -7.8519 -7.8519 -7.8383 -7.8383 -7.8375 -7.8367 -1.7790 -1.7790 -1.7092 -1.7001 -1.4993 -1.4993 -1.0398 -1.0398 -1.0056 -0.9969 -0.9769 -0.9769 5.0753 5.0753 6.9200 6.9200 7.8137 7.8137 8.0258 8.0299 9.8422 9.8422 10.1317 10.1507 10.2098 10.2098 k = 0.1757 0.1014 0.0717 ( 6285 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6101 -17.6101 -17.5124 -17.5124 -17.4332 -17.4332 -17.4297 -17.4297 -17.3324 -17.3324 -17.3308 -17.3308 -10.3970 -10.3969 -10.3968 -10.3968 -7.8519 -7.8519 -7.8383 -7.8383 -7.8374 -7.8366 -1.7832 -1.7832 -1.7093 -1.6998 -1.4800 -1.4800 -1.0380 -1.0380 -1.0051 -0.9960 -0.9680 -0.9680 4.9595 4.9595 6.9055 6.9055 7.7528 7.7528 7.9823 7.9863 9.8739 9.8739 10.1672 10.1868 10.3082 10.3082 k = 0.1892 0.1092 0.0772 ( 6291 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6101 -17.6101 -17.5128 -17.5128 -17.4333 -17.4333 -17.4294 -17.4294 -17.3325 -17.3325 -17.3307 -17.3307 -10.3970 -10.3969 -10.3967 -10.3967 -7.8518 -7.8518 -7.8384 -7.8384 -7.8372 -7.8364 -1.7872 -1.7872 -1.7094 -1.6994 -1.4607 -1.4607 -1.0364 -1.0364 -1.0046 -0.9952 -0.9572 -0.9572 4.8424 4.8424 6.8886 6.8886 7.6941 7.6941 7.9394 7.9433 9.9040 9.9040 10.1963 10.2162 10.4108 10.4108 k = 0.2027 0.1170 0.0828 ( 6285 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6100 -17.6100 -17.5132 -17.5132 -17.4334 -17.4334 -17.4290 -17.4290 -17.3327 -17.3327 -17.3306 -17.3306 -10.3969 -10.3968 -10.3967 -10.3967 -7.8517 -7.8517 -7.8384 -7.8384 -7.8370 -7.8362 -1.7910 -1.7910 -1.7094 -1.6991 -1.4419 -1.4419 -1.0352 -1.0352 -1.0040 -0.9943 -0.9444 -0.9444 4.7248 4.7248 6.8697 6.8697 7.6378 7.6378 7.8974 7.9011 9.9311 9.9311 10.2182 10.2382 10.5173 10.5173 k = 0.2162 0.1248 0.0883 ( 6294 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6100 -17.6100 -17.5136 -17.5136 -17.4335 -17.4335 -17.4286 -17.4286 -17.3328 -17.3328 -17.3305 -17.3305 -10.3969 -10.3968 -10.3966 -10.3966 -7.8517 -7.8517 -7.8384 -7.8384 -7.8369 -7.8360 -1.7946 -1.7946 -1.7093 -1.6989 -1.4236 -1.4236 -1.0343 -1.0343 -1.0033 -0.9934 -0.9295 -0.9295 4.6071 4.6071 6.8494 6.8494 7.5840 7.5840 7.8565 7.8600 9.9542 9.9542 10.2326 10.2522 10.6273 10.6273 k = 0.2297 0.1326 0.0938 ( 6288 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6099 -17.6099 -17.5140 -17.5140 -17.4336 -17.4336 -17.4282 -17.4282 -17.3329 -17.3329 -17.3304 -17.3304 -10.3969 -10.3968 -10.3965 -10.3965 -7.8516 -7.8516 -7.8384 -7.8384 -7.8367 -7.8358 -1.7979 -1.7979 -1.7093 -1.6987 -1.4061 -1.4061 -1.0336 -1.0336 -1.0026 -0.9926 -0.9124 -0.9124 4.4899 4.4899 6.8279 6.8279 7.5329 7.5329 7.8168 7.8202 9.9726 9.9726 10.2395 10.2584 10.7401 10.7401 k = 0.2432 0.1404 0.0993 ( 6300 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6099 -17.6099 -17.5144 -17.5144 -17.4338 -17.4338 -17.4278 -17.4278 -17.3331 -17.3331 -17.3303 -17.3303 -10.3969 -10.3968 -10.3965 -10.3965 -7.8515 -7.8515 -7.8385 -7.8385 -7.8365 -7.8356 -1.8011 -1.8011 -1.7092 -1.6985 -1.3895 -1.3895 -1.0331 -1.0331 -1.0019 -0.9917 -0.8931 -0.8931 4.3738 4.3738 6.8056 6.8056 7.4845 7.4845 7.7785 7.7817 9.9859 9.9859 10.2394 10.2575 10.8548 10.8548 k = 0.2568 0.1482 0.1048 ( 6300 PWs) bands (ev): -45.5531 -45.5531 -45.4578 -45.4578 -17.6098 -17.6098 -17.5148 -17.5148 -17.4339 -17.4339 -17.4274 -17.4274 -17.3333 -17.3333 -17.3302 -17.3302 -10.3969 -10.3967 -10.3965 -10.3965 -7.8514 -7.8514 -7.8385 -7.8385 -7.8363 -7.8354 -1.8041 -1.8041 -1.7090 -1.6983 -1.3740 -1.3740 -1.0327 -1.0327 -1.0011 -0.9910 -0.8718 -0.8718 4.2593 4.2593 6.7830 6.7830 7.4389 7.4389 7.7418 7.7448 9.9942 9.9942 10.2332 10.2502 10.9696 10.9696 k = 0.2703 0.1560 0.1103 ( 6288 PWs) bands (ev): -45.5530 -45.5530 -45.4578 -45.4578 -17.6097 -17.6097 -17.5152 -17.5152 -17.4339 -17.4339 -17.4270 -17.4270 -17.3334 -17.3334 -17.3301 -17.3301 -10.3968 -10.3967 -10.3964 -10.3964 -7.8513 -7.8513 -7.8385 -7.8385 -7.8361 -7.8352 -1.8069 -1.8069 -1.7088 -1.6982 -1.3596 -1.3596 -1.0325 -1.0325 -1.0003 -0.9902 -0.8484 -0.8484 4.1468 4.1468 6.7602 6.7602 7.3961 7.3961 7.7066 7.7095 9.9976 9.9976 10.2218 10.2376 11.0815 11.0815 k = 0.2838 0.1638 0.1159 ( 6297 PWs) bands (ev): -45.5530 -45.5530 -45.4578 -45.4578 -17.6097 -17.6097 -17.5156 -17.5156 -17.4341 -17.4341 -17.4266 -17.4266 -17.3336 -17.3336 -17.3301 -17.3300 -10.3968 -10.3967 -10.3964 -10.3964 -7.8512 -7.8512 -7.8385 -7.8385 -7.8359 -7.8351 -1.8096 -1.8096 -1.7086 -1.6982 -1.3465 -1.3465 -1.0323 -1.0323 -0.9994 -0.9895 -0.8232 -0.8232 4.0369 4.0369 6.7377 6.7377 7.3560 7.3560 7.6732 7.6758 9.9967 9.9967 10.2064 10.2210 11.1844 11.1844 k = 0.2973 0.1716 0.1214 ( 6288 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6096 -17.6096 -17.5160 -17.5160 -17.4342 -17.4341 -17.4262 -17.4262 -17.3337 -17.3337 -17.3299 -17.3299 -10.3967 -10.3966 -10.3963 -10.3963 -7.8511 -7.8511 -7.8385 -7.8385 -7.8357 -7.8349 -1.8121 -1.8121 -1.7084 -1.6982 -1.3347 -1.3347 -1.0322 -1.0322 -0.9985 -0.9888 -0.7964 -0.7964 3.9300 3.9300 6.7155 6.7155 7.3186 7.3186 7.6415 7.6440 9.9922 9.9922 10.1879 10.2012 11.2668 11.2668 k = 0.3108 0.1794 0.1269 ( 6300 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6096 -17.6096 -17.5164 -17.5164 -17.4343 -17.4343 -17.4259 -17.4259 -17.3338 -17.3338 -17.3299 -17.3299 -10.3967 -10.3966 -10.3963 -10.3963 -7.8511 -7.8511 -7.8386 -7.8386 -7.8355 -7.8347 -1.8144 -1.8144 -1.7081 -1.6982 -1.3240 -1.3240 -1.0322 -1.0322 -0.9976 -0.9882 -0.7683 -0.7683 3.8266 3.8266 6.6940 6.6940 7.2839 7.2839 7.6116 7.6139 9.9846 9.9846 10.1673 10.1794 11.3158 11.3158 k = 0.3243 0.1872 0.1324 ( 6300 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6096 -17.6096 -17.5167 -17.5167 -17.4344 -17.4344 -17.4255 -17.4255 -17.3340 -17.3340 -17.3298 -17.3298 -10.3967 -10.3966 -10.3962 -10.3962 -7.8510 -7.8510 -7.8386 -7.8386 -7.8354 -7.8346 -1.8166 -1.8166 -1.7078 -1.6983 -1.3146 -1.3146 -1.0322 -1.0322 -0.9967 -0.9877 -0.7392 -0.7392 3.7272 3.7272 6.6732 6.6732 7.2518 7.2518 7.5837 7.5858 9.9748 9.9748 10.1455 10.1565 11.3310 11.3310 k = 0.3378 0.1951 0.1379 ( 6306 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6095 -17.6095 -17.5171 -17.5171 -17.4345 -17.4345 -17.4252 -17.4252 -17.3341 -17.3341 -17.3297 -17.3297 -10.3967 -10.3966 -10.3962 -10.3962 -7.8509 -7.8509 -7.8386 -7.8386 -7.8352 -7.8344 -1.8187 -1.8187 -1.7075 -1.6984 -1.3062 -1.3062 -1.0323 -1.0323 -0.9958 -0.9872 -0.7096 -0.7096 3.6322 3.6322 6.6535 6.6535 7.2223 7.2223 7.5576 7.5596 9.9634 9.9634 10.1232 10.1331 11.3249 11.3249 k = 0.3514 0.2029 0.1434 ( 6306 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6095 -17.6095 -17.5174 -17.5174 -17.4346 -17.4346 -17.4249 -17.4249 -17.3342 -17.3342 -17.3296 -17.3296 -10.3967 -10.3966 -10.3961 -10.3961 -7.8508 -7.8508 -7.8387 -7.8387 -7.8350 -7.8343 -1.8206 -1.8206 -1.7071 -1.6985 -1.2988 -1.2988 -1.0323 -1.0323 -0.9949 -0.9867 -0.6798 -0.6798 3.5422 3.5422 6.6349 6.6349 7.1954 7.1954 7.5336 7.5354 9.9510 9.9510 10.1010 10.1099 11.3086 11.3086 k = 0.3649 0.2107 0.1490 ( 6309 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6095 -17.6095 -17.5177 -17.5177 -17.4347 -17.4347 -17.4246 -17.4246 -17.3343 -17.3343 -17.3295 -17.3295 -10.3967 -10.3965 -10.3961 -10.3961 -7.8508 -7.8508 -7.8387 -7.8387 -7.8348 -7.8342 -1.8223 -1.8223 -1.7067 -1.6987 -1.2924 -1.2924 -1.0324 -1.0324 -0.9940 -0.9864 -0.6503 -0.6503 3.4576 3.4576 6.6175 6.6175 7.1709 7.1709 7.5115 7.5131 9.9381 9.9381 10.0795 10.0873 11.2882 11.2882 k = 0.3784 0.2185 0.1545 ( 6291 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6094 -17.6094 -17.5179 -17.5179 -17.4347 -17.4347 -17.4242 -17.4242 -17.3344 -17.3344 -17.3294 -17.3294 -10.3966 -10.3965 -10.3960 -10.3960 -7.8507 -7.8507 -7.8386 -7.8386 -7.8346 -7.8340 -1.8239 -1.8239 -1.7063 -1.6989 -1.2869 -1.2869 -1.0325 -1.0325 -0.9931 -0.9861 -0.6215 -0.6215 3.3790 3.3790 6.6015 6.6015 7.1490 7.1490 7.4915 7.4929 9.9252 9.9252 10.0591 10.0660 11.2668 11.2668 k = 0.3919 0.2263 0.1600 ( 6297 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6094 -17.6094 -17.5182 -17.5182 -17.4348 -17.4348 -17.4240 -17.4240 -17.3345 -17.3345 -17.3294 -17.3294 -10.3966 -10.3965 -10.3960 -10.3960 -7.8506 -7.8506 -7.8387 -7.8387 -7.8345 -7.8339 -1.8253 -1.8253 -1.7059 -1.6992 -1.2821 -1.2821 -1.0326 -1.0326 -0.9922 -0.9859 -0.5940 -0.5940 3.3068 3.3068 6.5870 6.5870 7.1294 7.1294 7.4735 7.4748 9.9128 9.9128 10.0400 10.0460 11.2458 11.2458 k = 0.4054 0.2341 0.1655 ( 6309 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6094 -17.6094 -17.5185 -17.5185 -17.4349 -17.4349 -17.4238 -17.4238 -17.3346 -17.3346 -17.3294 -17.3294 -10.3966 -10.3965 -10.3960 -10.3960 -7.8506 -7.8506 -7.8387 -7.8387 -7.8344 -7.8339 -1.8266 -1.8266 -1.7055 -1.6995 -1.2780 -1.2780 -1.0326 -1.0326 -0.9914 -0.9857 -0.5683 -0.5683 3.2416 3.2416 6.5740 6.5740 7.1123 7.1123 7.4577 7.4588 9.9011 9.9011 10.0227 10.0279 11.2262 11.2262 k = 0.4189 0.2419 0.1710 ( 6291 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6093 -17.6093 -17.5186 -17.5186 -17.4349 -17.4349 -17.4236 -17.4236 -17.3347 -17.3347 -17.3292 -17.3292 -10.3965 -10.3965 -10.3959 -10.3959 -7.8505 -7.8505 -7.8387 -7.8387 -7.8342 -7.8337 -1.8277 -1.8277 -1.7050 -1.6998 -1.2746 -1.2746 -1.0327 -1.0327 -0.9906 -0.9856 -0.5448 -0.5448 3.1839 3.1839 6.5626 6.5626 7.0974 7.0974 7.4439 7.4448 9.8905 9.8905 10.0073 10.0117 11.2085 11.2085 k = 0.4324 0.2497 0.1765 ( 6309 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6093 -17.6093 -17.5188 -17.5188 -17.4350 -17.4350 -17.4235 -17.4235 -17.3348 -17.3348 -17.3292 -17.3292 -10.3965 -10.3965 -10.3959 -10.3959 -7.8505 -7.8505 -7.8388 -7.8388 -7.8341 -7.8337 -1.8286 -1.8286 -1.7045 -1.7001 -1.2718 -1.2718 -1.0328 -1.0328 -0.9898 -0.9857 -0.5239 -0.5239 3.1340 3.1340 6.5529 6.5529 7.0850 7.0850 7.4322 7.4330 9.8812 9.8812 9.9941 9.9976 11.1932 11.1932 k = 0.4459 0.2575 0.1821 ( 6309 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6093 -17.6093 -17.5190 -17.5190 -17.4350 -17.4350 -17.4233 -17.4233 -17.3349 -17.3349 -17.3292 -17.3292 -10.3965 -10.3965 -10.3959 -10.3959 -7.8505 -7.8505 -7.8388 -7.8388 -7.8340 -7.8337 -1.8294 -1.8294 -1.7041 -1.7005 -1.2696 -1.2696 -1.0328 -1.0328 -0.9891 -0.9858 -0.5062 -0.5062 3.0926 3.0926 6.5448 6.5448 7.0748 7.0748 7.4226 7.4233 9.8733 9.8733 9.9831 9.9859 11.1804 11.1804 k = 0.4595 0.2653 0.1876 ( 6303 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6093 -17.6093 -17.5191 -17.5191 -17.4350 -17.4350 -17.4232 -17.4232 -17.3349 -17.3349 -17.3291 -17.3291 -10.3965 -10.3965 -10.3959 -10.3959 -7.8504 -7.8504 -7.8388 -7.8388 -7.8339 -7.8337 -1.8300 -1.8300 -1.7036 -1.7009 -1.2679 -1.2679 -1.0329 -1.0329 -0.9885 -0.9859 -0.4920 -0.4920 3.0599 3.0599 6.5386 6.5386 7.0669 7.0669 7.4152 7.4157 9.8670 9.8670 9.9745 9.9766 11.1703 11.1703 k = 0.4730 0.2731 0.1931 ( 6300 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6092 -17.6092 -17.5191 -17.5191 -17.4351 -17.4351 -17.4231 -17.4231 -17.3349 -17.3349 -17.3291 -17.3291 -10.3965 -10.3964 -10.3959 -10.3959 -7.8504 -7.8504 -7.8388 -7.8388 -7.8338 -7.8336 -1.8304 -1.8304 -1.7031 -1.7013 -1.2667 -1.2667 -1.0329 -1.0329 -0.9879 -0.9862 -0.4816 -0.4816 3.0363 3.0363 6.5341 6.5341 7.0613 7.0613 7.4099 7.4102 9.8625 9.8625 9.9685 9.9698 11.1630 11.1630 k = 0.4865 0.2809 0.1986 ( 6312 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6093 -17.6093 -17.5192 -17.5192 -17.4351 -17.4351 -17.4231 -17.4231 -17.3349 -17.3349 -17.3291 -17.3291 -10.3965 -10.3965 -10.3959 -10.3959 -7.8505 -7.8505 -7.8388 -7.8388 -7.8337 -7.8337 -1.8307 -1.8307 -1.7027 -1.7018 -1.2660 -1.2660 -1.0330 -1.0330 -0.9873 -0.9865 -0.4753 -0.4753 3.0221 3.0221 6.5313 6.5313 7.0579 7.0579 7.4068 7.4069 9.8597 9.8597 9.9649 9.9656 11.1586 11.1586 k = 0.5000 0.2887 0.2041 ( 6322 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6093 -17.6093 -17.5193 -17.5193 -17.4352 -17.4352 -17.4231 -17.4231 -17.3350 -17.3350 -17.3291 -17.3291 -10.3965 -10.3965 -10.3959 -10.3959 -7.8505 -7.8505 -7.8388 -7.8388 -7.8337 -7.8337 -1.8308 -1.8308 -1.7022 -1.7022 -1.2658 -1.2658 -1.0330 -1.0330 -0.9869 -0.9869 -0.4731 -0.4731 3.0173 3.0173 6.5304 6.5304 7.0568 7.0568 7.4058 7.4058 9.8588 9.8588 9.9640 9.9640 11.1571 11.1571 k = 0.5000 0.2887 0.2041 ( 6322 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6093 -17.6093 -17.5193 -17.5193 -17.4352 -17.4352 -17.4231 -17.4231 -17.3350 -17.3350 -17.3291 -17.3291 -10.3965 -10.3965 -10.3959 -10.3959 -7.8505 -7.8505 -7.8388 -7.8388 -7.8337 -7.8337 -1.8308 -1.8308 -1.7022 -1.7022 -1.2658 -1.2658 -1.0330 -1.0330 -0.9869 -0.9869 -0.4731 -0.4731 3.0173 3.0173 6.5304 6.5304 7.0568 7.0568 7.4058 7.4058 9.8588 9.8588 9.9640 9.9640 11.1571 11.1571 k = 0.5046 0.2753 0.2117 ( 6301 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6093 -17.6091 -17.5194 -17.5190 -17.4351 -17.4351 -17.4233 -17.4228 -17.3350 -17.3349 -17.3291 -17.3291 -10.3964 -10.3964 -10.3959 -10.3959 -7.8504 -7.8504 -7.8388 -7.8388 -7.8337 -7.8337 -1.8346 -1.8269 -1.7022 -1.7022 -1.2734 -1.2580 -1.0332 -1.0326 -0.9869 -0.9869 -0.4760 -0.4692 3.0145 3.0220 6.4694 6.5635 7.0014 7.0888 7.4262 7.4298 9.8530 9.8609 9.9622 9.9628 11.1664 11.1778 k = 0.5093 0.2619 0.2192 ( 6297 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6094 -17.6091 -17.5197 -17.5188 -17.4350 -17.4350 -17.4235 -17.4226 -17.3351 -17.3348 -17.3291 -17.3291 -10.3964 -10.3964 -10.3959 -10.3959 -7.8504 -7.8504 -7.8388 -7.8387 -7.8337 -7.8337 -1.8385 -1.8231 -1.7020 -1.7020 -1.2810 -1.2504 -1.0334 -1.0321 -0.9869 -0.9869 -0.4777 -0.4641 3.0134 3.0285 6.3889 6.5597 6.9457 7.0904 7.4773 7.4972 9.8389 9.8558 9.9620 9.9654 11.2047 11.2267 k = 0.5139 0.2486 0.2268 ( 6306 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6094 -17.6090 -17.5199 -17.5186 -17.4351 -17.4350 -17.4237 -17.4224 -17.3352 -17.3347 -17.3291 -17.3291 -10.3965 -10.3965 -10.3959 -10.3959 -7.8505 -7.8504 -7.8388 -7.8387 -7.8337 -7.8337 -1.8422 -1.8193 -1.7018 -1.7017 -1.2884 -1.2427 -1.0334 -1.0316 -0.9870 -0.9870 -0.4782 -0.4581 3.0141 3.0369 6.2949 6.5153 6.9044 7.0726 7.5478 7.5901 9.8118 9.8355 9.9747 9.9805 11.2683 11.3000 k = 0.5185 0.2352 0.2344 ( 6300 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6095 -17.6089 -17.5202 -17.5185 -17.4350 -17.4350 -17.4239 -17.4221 -17.3352 -17.3347 -17.3291 -17.3291 -10.3964 -10.3964 -10.3959 -10.3958 -7.8505 -7.8503 -7.8387 -7.8387 -7.8337 -7.8337 -1.8458 -1.8156 -1.7015 -1.7012 -1.2955 -1.2353 -1.0333 -1.0310 -0.9871 -0.9870 -0.4776 -0.4510 3.0165 3.0471 6.1922 6.4390 6.8763 7.0453 7.6301 7.6938 9.7746 9.8012 10.0037 10.0101 11.3525 11.3934 k = 0.5231 0.2219 0.2419 ( 6312 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6096 -17.6088 -17.5205 -17.5183 -17.4350 -17.4350 -17.4241 -17.4219 -17.3354 -17.3346 -17.3291 -17.3291 -10.3965 -10.3965 -10.3959 -10.3959 -7.8505 -7.8503 -7.8387 -7.8387 -7.8338 -7.8338 -1.8494 -1.8121 -1.7011 -1.7006 -1.3024 -1.2280 -1.0331 -1.0304 -0.9873 -0.9871 -0.4757 -0.4430 3.0204 3.0591 6.0838 6.3439 6.8533 7.0129 7.7187 7.7998 9.7340 9.7603 10.0460 10.0521 11.4523 11.5027 k = 0.5278 0.2085 0.2495 ( 6315 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6096 -17.6088 -17.5207 -17.5182 -17.4350 -17.4350 -17.4243 -17.4217 -17.3355 -17.3346 -17.3292 -17.3291 -10.3965 -10.3965 -10.3960 -10.3959 -7.8505 -7.8503 -7.8387 -7.8386 -7.8338 -7.8338 -1.8527 -1.8088 -1.7007 -1.6999 -1.3090 -1.2210 -1.0327 -1.0297 -0.9875 -0.9872 -0.4726 -0.4341 3.0258 3.0729 5.9722 6.2396 6.8298 6.9772 7.8091 7.9032 9.6962 9.7195 10.0990 10.1046 11.5632 11.6247 k = 0.5324 0.1951 0.2570 ( 6322 PWs) bands (ev): -45.5530 -45.5530 -45.4580 -45.4580 -17.6097 -17.6087 -17.5210 -17.5181 -17.4350 -17.4350 -17.4245 -17.4215 -17.3356 -17.3345 -17.3292 -17.3291 -10.3965 -10.3965 -10.3960 -10.3959 -7.8505 -7.8503 -7.8387 -7.8386 -7.8339 -7.8339 -1.8560 -1.8057 -1.7003 -1.6989 -1.3152 -1.2143 -1.0322 -1.0290 -0.9877 -0.9872 -0.4684 -0.4243 3.0325 3.0884 5.8591 6.1315 6.8036 6.9388 7.8972 7.9997 9.6664 9.6836 10.1614 10.1663 11.6795 11.7566 k = 0.5370 0.1818 0.2646 ( 6321 PWs) bands (ev): -45.5530 -45.5530 -45.4580 -45.4580 -17.6098 -17.6086 -17.5213 -17.5180 -17.4350 -17.4349 -17.4246 -17.4212 -17.3356 -17.3345 -17.3292 -17.3291 -10.3965 -10.3965 -10.3960 -10.3958 -7.8505 -7.8502 -7.8386 -7.8385 -7.8340 -7.8339 -1.8590 -1.8028 -1.6998 -1.6979 -1.3210 -1.2080 -1.0316 -1.0282 -0.9879 -0.9873 -0.4629 -0.4138 3.0404 3.1055 5.7457 6.0226 6.7740 6.8984 7.9793 8.0856 9.6493 9.6569 10.2321 10.2362 11.7932 11.8956 k = 0.5417 0.1684 0.2722 ( 6319 PWs) bands (ev): -45.5530 -45.5530 -45.4580 -45.4580 -17.6098 -17.6085 -17.5216 -17.5180 -17.4350 -17.4348 -17.4248 -17.4210 -17.3357 -17.3344 -17.3292 -17.3291 -10.3965 -10.3964 -10.3960 -10.3958 -7.8505 -7.8502 -7.8385 -7.8384 -7.8340 -7.8339 -1.8619 -1.8002 -1.6994 -1.6966 -1.3263 -1.2021 -1.0308 -1.0275 -0.9882 -0.9873 -0.4562 -0.4025 3.0493 3.1241 5.6330 5.9148 6.7414 6.8564 8.0520 8.1575 9.6428 9.6490 10.3102 10.3135 11.8869 12.0373 k = 0.5463 0.1550 0.2797 ( 6317 PWs) bands (ev): -45.5530 -45.5530 -45.4580 -45.4580 -17.6098 -17.6084 -17.5219 -17.5179 -17.4350 -17.4347 -17.4249 -17.4208 -17.3358 -17.3343 -17.3292 -17.3291 -10.3964 -10.3964 -10.3960 -10.3958 -7.8505 -7.8502 -7.8385 -7.8383 -7.8341 -7.8340 -1.8646 -1.7979 -1.6989 -1.6953 -1.3312 -1.1966 -1.0299 -1.0268 -0.9885 -0.9873 -0.4484 -0.3906 3.0590 3.1440 5.5219 5.8092 6.7062 6.8132 8.1123 8.2126 9.6442 9.6689 10.3949 10.3973 11.9278 12.1643 k = 0.5509 0.1417 0.2873 ( 6321 PWs) bands (ev): -45.5530 -45.5530 -45.4580 -45.4580 -17.6099 -17.6084 -17.5222 -17.5179 -17.4350 -17.4347 -17.4251 -17.4205 -17.3359 -17.3343 -17.3292 -17.3291 -10.3964 -10.3964 -10.3960 -10.3958 -7.8505 -7.8501 -7.8384 -7.8382 -7.8342 -7.8340 -1.8671 -1.7960 -1.6984 -1.6939 -1.3355 -1.1916 -1.0289 -1.0261 -0.9889 -0.9873 -0.4395 -0.3781 3.0692 3.1650 5.4131 5.7069 6.6689 6.7691 8.1582 8.2494 9.6629 9.7105 10.4856 10.4869 11.8968 12.1815 k = 0.5556 0.1283 0.2948 ( 6319 PWs) bands (ev): -45.5530 -45.5529 -45.4580 -45.4580 -17.6099 -17.6083 -17.5224 -17.5179 -17.4350 -17.4346 -17.4253 -17.4203 -17.3360 -17.3342 -17.3292 -17.3290 -10.3964 -10.3964 -10.3960 -10.3958 -7.8505 -7.8501 -7.8383 -7.8380 -7.8342 -7.8341 -1.8694 -1.7943 -1.6979 -1.6924 -1.3394 -1.1870 -1.0278 -1.0254 -0.9892 -0.9872 -0.4296 -0.3650 3.0798 3.1870 5.3074 5.6085 6.6301 6.7247 8.1887 8.2684 9.6993 9.7736 10.5813 10.5814 11.8204 12.0726 k = 0.5602 0.1149 0.3024 ( 6315 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6082 -17.5227 -17.5179 -17.4350 -17.4344 -17.4254 -17.4201 -17.3360 -17.3341 -17.3292 -17.3290 -10.3964 -10.3964 -10.3960 -10.3958 -7.8505 -7.8500 -7.8382 -7.8379 -7.8343 -7.8341 -1.8715 -1.7930 -1.6974 -1.6908 -1.3426 -1.1830 -1.0266 -1.0247 -0.9896 -0.9871 -0.4188 -0.3516 3.0903 3.2095 5.2054 5.5149 6.5903 6.6801 8.2043 8.2715 9.7519 9.8562 10.6801 10.6812 11.7259 11.9404 k = 0.5648 0.1016 0.3100 ( 6317 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6081 -17.5229 -17.5179 -17.4349 -17.4343 -17.4256 -17.4199 -17.3361 -17.3341 -17.3293 -17.3290 -10.3964 -10.3964 -10.3960 -10.3957 -7.8505 -7.8500 -7.8382 -7.8378 -7.8344 -7.8341 -1.8735 -1.7920 -1.6970 -1.6893 -1.3453 -1.1794 -1.0253 -1.0241 -0.9900 -0.9869 -0.4071 -0.3379 3.1006 3.2323 5.1079 5.4266 6.5500 6.6358 8.2069 8.2618 9.8181 9.9550 10.7817 10.7841 11.6271 11.8057 k = 0.5694 0.0882 0.3175 ( 6323 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6100 -17.6081 -17.5232 -17.5179 -17.4350 -17.4342 -17.4257 -17.4197 -17.3362 -17.3340 -17.3293 -17.3290 -10.3964 -10.3964 -10.3960 -10.3957 -7.8505 -7.8500 -7.8381 -7.8377 -7.8345 -7.8342 -1.8752 -1.7912 -1.6965 -1.6878 -1.3475 -1.1763 -1.0240 -1.0235 -0.9904 -0.9868 -0.3949 -0.3239 3.1102 3.2549 5.0155 5.3444 6.5095 6.5921 8.1988 8.2423 9.8935 10.0664 10.8845 10.8876 11.5321 11.6741 k = 0.5741 0.0748 0.3251 ( 6319 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6100 -17.6080 -17.5234 -17.5180 -17.4349 -17.4340 -17.4259 -17.4195 -17.3363 -17.3339 -17.3293 -17.3290 -10.3964 -10.3964 -10.3960 -10.3957 -7.8505 -7.8500 -7.8380 -7.8375 -7.8346 -7.8342 -1.8767 -1.7908 -1.6961 -1.6864 -1.3491 -1.1737 -1.0230 -1.0226 -0.9908 -0.9865 -0.3821 -0.3099 3.1189 3.2769 4.9291 5.2688 6.4693 6.5492 8.1825 8.2160 9.9730 10.1866 10.9848 10.9871 11.4500 11.5506 k = 0.5787 0.0615 0.3326 ( 6322 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6100 -17.6080 -17.5236 -17.5180 -17.4349 -17.4339 -17.4260 -17.4193 -17.3363 -17.3339 -17.3294 -17.3290 -10.3964 -10.3964 -10.3960 -10.3957 -7.8505 -7.8500 -7.8379 -7.8374 -7.8347 -7.8342 -1.8781 -1.7905 -1.6957 -1.6850 -1.3502 -1.1714 -1.0225 -1.0212 -0.9911 -0.9863 -0.3689 -0.2960 3.1264 3.2977 4.8495 5.2004 6.4297 6.5073 8.1603 8.1852 10.0503 10.3113 11.0705 11.0723 11.3971 11.4470 k = 0.5833 0.0481 0.3402 ( 6330 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6100 -17.6080 -17.5239 -17.5181 -17.4349 -17.4337 -17.4262 -17.4192 -17.3364 -17.3338 -17.3294 -17.3290 -10.3965 -10.3964 -10.3960 -10.3957 -7.8506 -7.8500 -7.8379 -7.8373 -7.8348 -7.8343 -1.8792 -1.7905 -1.6954 -1.6838 -1.3508 -1.1697 -1.0221 -1.0199 -0.9915 -0.9860 -0.3556 -0.2823 3.1323 3.3166 4.7777 5.1397 6.3909 6.4668 8.1343 8.1517 10.1175 10.4347 11.1141 11.1155 11.3978 11.4027 k = 0.5880 0.0347 0.3478 ( 6326 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6100 -17.6079 -17.5240 -17.5182 -17.4349 -17.4336 -17.4263 -17.4191 -17.3364 -17.3337 -17.3295 -17.3290 -10.3965 -10.3964 -10.3959 -10.3957 -7.8506 -7.8499 -7.8378 -7.8371 -7.8349 -7.8343 -1.8802 -1.7907 -1.6950 -1.6827 -1.3509 -1.1683 -1.0217 -1.0185 -0.9919 -0.9857 -0.3423 -0.2689 3.1365 3.3330 4.7145 5.0873 6.3532 6.4278 8.1059 8.1170 10.1653 10.5452 11.0893 11.1193 11.4373 11.4723 k = 0.5926 0.0214 0.3553 ( 6327 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6100 -17.6079 -17.5242 -17.5183 -17.4349 -17.4334 -17.4264 -17.4190 -17.3365 -17.3337 -17.3295 -17.3290 -10.3965 -10.3964 -10.3959 -10.3956 -7.8506 -7.8499 -7.8378 -7.8370 -7.8349 -7.8343 -1.8809 -1.7911 -1.6947 -1.6818 -1.3506 -1.1673 -1.0213 -1.0172 -0.9923 -0.9854 -0.3293 -0.2562 3.1388 3.3463 4.6610 5.0435 6.3169 6.3906 8.0766 8.0822 10.1849 10.6160 11.0587 11.1241 11.5242 11.5739 k = 0.5972 0.0080 0.3629 ( 6327 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6100 -17.6078 -17.5243 -17.5184 -17.4349 -17.4332 -17.4266 -17.4189 -17.3365 -17.3336 -17.3296 -17.3290 -10.3965 -10.3964 -10.3959 -10.3956 -7.8506 -7.8499 -7.8377 -7.8368 -7.8350 -7.8343 -1.8815 -1.7917 -1.6945 -1.6810 -1.3498 -1.1666 -1.0210 -1.0159 -0.9927 -0.9851 -0.3167 -0.2442 3.1392 3.3557 4.6179 5.0086 6.2822 6.3552 8.0472 8.0480 10.1722 10.6114 11.0913 11.1502 11.6231 11.6873 k = 0.6019-0.0053 0.3704 ( 6322 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6100 -17.6078 -17.5244 -17.5185 -17.4348 -17.4330 -17.4267 -17.4188 -17.3365 -17.3335 -17.3297 -17.3289 -10.3965 -10.3964 -10.3959 -10.3956 -7.8506 -7.8499 -7.8377 -7.8367 -7.8351 -7.8342 -1.8819 -1.7924 -1.6943 -1.6804 -1.3487 -1.1663 -1.0207 -1.0147 -0.9930 -0.9848 -0.3049 -0.2332 3.1377 3.3610 4.5859 4.9828 6.2491 6.3218 8.0151 8.0185 10.1299 10.5419 11.1845 11.1994 11.7218 11.8044 k = 0.6065-0.0187 0.3780 ( 6316 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6077 -17.5245 -17.5185 -17.4348 -17.4328 -17.4268 -17.4188 -17.3365 -17.3335 -17.3297 -17.3289 -10.3965 -10.3964 -10.3958 -10.3955 -7.8506 -7.8499 -7.8376 -7.8366 -7.8351 -7.8342 -1.8821 -1.7932 -1.6941 -1.6800 -1.3473 -1.1662 -1.0205 -1.0135 -0.9934 -0.9846 -0.2941 -0.2234 3.1347 3.3620 4.5653 4.9659 6.2180 6.2906 7.9839 7.9911 10.0651 10.4432 11.2650 11.3034 11.8148 11.9209 k = 0.6111-0.0321 0.3856 ( 6314 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6077 -17.5246 -17.5186 -17.4347 -17.4326 -17.4269 -17.4188 -17.3365 -17.3334 -17.3298 -17.3290 -10.3965 -10.3964 -10.3958 -10.3955 -7.8506 -7.8499 -7.8376 -7.8365 -7.8352 -7.8342 -1.8822 -1.7941 -1.6939 -1.6797 -1.3456 -1.1665 -1.0202 -1.0124 -0.9937 -0.9843 -0.2846 -0.2150 3.1304 3.3590 4.5562 4.9580 6.1889 6.2617 7.9548 7.9655 9.9852 10.3336 11.3382 11.4277 11.8985 12.0332 k = 0.6157-0.0454 0.3931 ( 6312 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6077 -17.5246 -17.5187 -17.4347 -17.4324 -17.4270 -17.4188 -17.3364 -17.3333 -17.3298 -17.3290 -10.3965 -10.3965 -10.3957 -10.3955 -7.8506 -7.8499 -7.8376 -7.8364 -7.8352 -7.8342 -1.8821 -1.7950 -1.6938 -1.6795 -1.3436 -1.1670 -1.0200 -1.0114 -0.9941 -0.9841 -0.2765 -0.2082 3.1255 3.3525 4.5582 4.9586 6.1620 6.2353 7.9280 7.9419 9.8959 10.2203 11.4113 11.5460 11.9722 12.1377 k = 0.6204-0.0588 0.4007 ( 6314 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6077 -17.5246 -17.5188 -17.4346 -17.4323 -17.4271 -17.4188 -17.3364 -17.3332 -17.3299 -17.3290 -10.3965 -10.3965 -10.3957 -10.3955 -7.8506 -7.8500 -7.8375 -7.8364 -7.8352 -7.8342 -1.8818 -1.7961 -1.6937 -1.6794 -1.3415 -1.1678 -1.0198 -1.0104 -0.9945 -0.9839 -0.2702 -0.2033 3.1205 3.3435 4.5704 4.9675 6.1374 6.2114 7.9038 7.9208 9.8010 10.1064 11.4785 11.6490 12.0386 12.2302 k = 0.6250-0.0722 0.4082 ( 6307 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6098 -17.6077 -17.5246 -17.5189 -17.4346 -17.4321 -17.4272 -17.4189 -17.3363 -17.3332 -17.3300 -17.3290 -10.3965 -10.3965 -10.3957 -10.3954 -7.8507 -7.8500 -7.8375 -7.8363 -7.8351 -7.8341 -1.8813 -1.7972 -1.6936 -1.6795 -1.3392 -1.1689 -1.0196 -1.0095 -0.9948 -0.9838 -0.2659 -0.2004 3.1160 3.3331 4.5921 4.9839 6.1152 6.1901 7.8822 7.9021 9.7032 9.9933 11.5357 11.7281 12.1031 12.3066 k = 0.6250-0.0722 0.4082 ( 6307 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6098 -17.6077 -17.5246 -17.5189 -17.4346 -17.4321 -17.4272 -17.4189 -17.3363 -17.3332 -17.3300 -17.3290 -10.3965 -10.3965 -10.3957 -10.3954 -7.8507 -7.8500 -7.8375 -7.8363 -7.8351 -7.8341 -1.8813 -1.7972 -1.6936 -1.6795 -1.3392 -1.1689 -1.0196 -1.0095 -0.9948 -0.9838 -0.2659 -0.2004 3.1160 3.3331 4.5921 4.9839 6.1152 6.1901 7.8822 7.9021 9.7032 9.9933 11.5357 11.7281 12.1031 12.3066 k = 0.6172-0.0677 0.4210 ( 6315 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6098 -17.6077 -17.5247 -17.5189 -17.4346 -17.4321 -17.4272 -17.4189 -17.3364 -17.3332 -17.3300 -17.3290 -10.3965 -10.3965 -10.3957 -10.3954 -7.8507 -7.8500 -7.8375 -7.8364 -7.8351 -7.8341 -1.8814 -1.7971 -1.6936 -1.6795 -1.3393 -1.1687 -1.0196 -1.0095 -0.9948 -0.9838 -0.2656 -0.2001 3.1162 3.3335 4.5929 4.9852 6.1011 6.1830 7.8882 7.9260 9.7038 9.9945 11.5197 11.7004 12.0896 12.3220 k = 0.6094-0.0631 0.4338 ( 6311 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6098 -17.6077 -17.5247 -17.5189 -17.4346 -17.4320 -17.4273 -17.4188 -17.3364 -17.3332 -17.3300 -17.3290 -10.3965 -10.3965 -10.3957 -10.3954 -7.8507 -7.8500 -7.8375 -7.8363 -7.8351 -7.8342 -1.8815 -1.7970 -1.6934 -1.6795 -1.3398 -1.1683 -1.0196 -1.0095 -0.9949 -0.9838 -0.2649 -0.1992 3.1169 3.3350 4.5953 4.9891 6.0622 6.1605 7.9183 7.9830 9.7057 9.9979 11.4744 11.6279 12.0532 12.3378 k = 0.6016-0.0586 0.4465 ( 6308 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6098 -17.6077 -17.5247 -17.5189 -17.4346 -17.4320 -17.4273 -17.4188 -17.3364 -17.3331 -17.3300 -17.3290 -10.3965 -10.3965 -10.3957 -10.3954 -7.8507 -7.8499 -7.8375 -7.8363 -7.8351 -7.8342 -1.8818 -1.7967 -1.6932 -1.6794 -1.3406 -1.1676 -1.0196 -1.0095 -0.9949 -0.9839 -0.2637 -0.1978 3.1179 3.3373 4.5993 4.9956 6.0053 6.1221 7.9753 8.0646 9.7088 10.0036 11.4056 11.5286 11.9974 12.3007 k = 0.5938-0.0541 0.4593 ( 6306 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6098 -17.6077 -17.5247 -17.5189 -17.4346 -17.4319 -17.4274 -17.4187 -17.3364 -17.3331 -17.3299 -17.3290 -10.3965 -10.3964 -10.3957 -10.3954 -7.8507 -7.8499 -7.8375 -7.8363 -7.8352 -7.8342 -1.8822 -1.7964 -1.6929 -1.6794 -1.3417 -1.1667 -1.0197 -1.0095 -0.9949 -0.9839 -0.2621 -0.1958 3.1193 3.3405 4.6046 5.0047 5.9361 6.0696 8.0561 8.1659 9.7129 10.0115 11.3202 11.4155 11.9244 12.2097 k = 0.5859-0.0496 0.4720 ( 6304 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6098 -17.6077 -17.5248 -17.5188 -17.4347 -17.4319 -17.4275 -17.4186 -17.3365 -17.3331 -17.3299 -17.3290 -10.3965 -10.3964 -10.3957 -10.3954 -7.8507 -7.8499 -7.8374 -7.8362 -7.8352 -7.8342 -1.8827 -1.7959 -1.6925 -1.6794 -1.3430 -1.1656 -1.0197 -1.0096 -0.9950 -0.9839 -0.2600 -0.1933 3.1210 3.3444 4.6113 5.0163 5.8594 6.0066 8.1565 8.2829 9.7180 10.0217 11.2236 11.2952 11.8381 12.0943 k = 0.5781-0.0451 0.4848 ( 6310 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6077 -17.5248 -17.5188 -17.4347 -17.4318 -17.4276 -17.4185 -17.3365 -17.3331 -17.3299 -17.3290 -10.3965 -10.3964 -10.3957 -10.3954 -7.8507 -7.8499 -7.8374 -7.8362 -7.8352 -7.8343 -1.8832 -1.7955 -1.6921 -1.6794 -1.3445 -1.1643 -1.0198 -1.0096 -0.9950 -0.9840 -0.2576 -0.1905 3.1229 3.3490 4.6192 5.0305 5.7790 5.9365 8.2723 8.4125 9.7239 10.0341 11.1201 11.1717 11.7428 11.9699 k = 0.5703-0.0406 0.4976 ( 6304 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6076 -17.5249 -17.5188 -17.4348 -17.4318 -17.4277 -17.4184 -17.3366 -17.3331 -17.3299 -17.3289 -10.3965 -10.3964 -10.3957 -10.3954 -7.8506 -7.8498 -7.8374 -7.8361 -7.8352 -7.8344 -1.8838 -1.7949 -1.6916 -1.6793 -1.3460 -1.1630 -1.0198 -1.0096 -0.9951 -0.9840 -0.2549 -0.1873 3.1250 3.3542 4.6278 5.0472 5.6979 5.8626 8.4000 8.5519 9.7302 10.0486 11.0127 11.0472 11.6421 11.8428 k = 0.5625-0.0361 0.5103 ( 6290 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6098 -17.6076 -17.5249 -17.5187 -17.4347 -17.4317 -17.4277 -17.4182 -17.3366 -17.3330 -17.3298 -17.3289 -10.3964 -10.3963 -10.3957 -10.3954 -7.8506 -7.8497 -7.8373 -7.8360 -7.8352 -7.8344 -1.8844 -1.7944 -1.6911 -1.6792 -1.3476 -1.1616 -1.0198 -1.0097 -0.9951 -0.9841 -0.2520 -0.1839 3.1270 3.3597 4.6371 5.0664 5.6186 5.7874 8.5364 8.6989 9.7365 10.0652 10.9025 10.9244 11.5392 11.7160 k = 0.5547-0.0316 0.5231 ( 6305 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6076 -17.5250 -17.5187 -17.4348 -17.4317 -17.4279 -17.4181 -17.3367 -17.3331 -17.3298 -17.3289 -10.3965 -10.3963 -10.3958 -10.3954 -7.8506 -7.8497 -7.8373 -7.8359 -7.8353 -7.8346 -1.8850 -1.7939 -1.6907 -1.6791 -1.3492 -1.1602 -1.0199 -1.0097 -0.9951 -0.9842 -0.2490 -0.1804 3.1291 3.3653 4.6464 5.0880 5.5433 5.7129 8.6786 8.8515 9.7423 10.0837 10.7866 10.8094 11.4366 11.5910 k = 0.5469-0.0271 0.5358 ( 6299 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6076 -17.5251 -17.5187 -17.4348 -17.4316 -17.4279 -17.4180 -17.3368 -17.3330 -17.3297 -17.3289 -10.3964 -10.3963 -10.3958 -10.3954 -7.8506 -7.8497 -7.8373 -7.8358 -7.8353 -7.8346 -1.8856 -1.7934 -1.6902 -1.6790 -1.3507 -1.1590 -1.0199 -1.0098 -0.9951 -0.9842 -0.2459 -0.1769 3.1309 3.3709 4.6554 5.1120 5.4739 5.6408 8.8239 9.0076 9.7471 10.1039 10.6653 10.7047 11.3367 11.4694 k = 0.5391-0.0226 0.5486 ( 6301 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6075 -17.5251 -17.5187 -17.4349 -17.4316 -17.4280 -17.4179 -17.3368 -17.3331 -17.3297 -17.3289 -10.3964 -10.3963 -10.3958 -10.3954 -7.8506 -7.8497 -7.8373 -7.8358 -7.8353 -7.8347 -1.8861 -1.7930 -1.6898 -1.6789 -1.3520 -1.1578 -1.0200 -1.0099 -0.9950 -0.9843 -0.2429 -0.1735 3.1325 3.3762 4.6635 5.1382 5.4120 5.5725 8.9688 9.1651 9.7501 10.1258 10.5438 10.6083 11.2416 11.3525 k = 0.5312-0.0180 0.5613 ( 6299 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6075 -17.5252 -17.5187 -17.4349 -17.4315 -17.4281 -17.4178 -17.3368 -17.3331 -17.3297 -17.3289 -10.3964 -10.3963 -10.3958 -10.3954 -7.8506 -7.8496 -7.8372 -7.8357 -7.8354 -7.8348 -1.8865 -1.7926 -1.6895 -1.6788 -1.3532 -1.1568 -1.0200 -1.0099 -0.9950 -0.9844 -0.2402 -0.1704 3.1338 3.3810 4.6701 5.1665 5.3595 5.5088 9.1090 9.3212 9.7506 10.1489 10.4243 10.5217 11.1540 11.2426 k = 0.5234-0.0135 0.5741 ( 6297 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6075 -17.5252 -17.5187 -17.4349 -17.4315 -17.4281 -17.4177 -17.3369 -17.3330 -17.3296 -17.3289 -10.3964 -10.3962 -10.3958 -10.3954 -7.8506 -7.8496 -7.8372 -7.8356 -7.8354 -7.8349 -1.8869 -1.7923 -1.6892 -1.6787 -1.3541 -1.1560 -1.0201 -1.0100 -0.9949 -0.9844 -0.2378 -0.1677 3.1347 3.3851 4.6749 5.1963 5.3178 5.4508 9.2379 9.4712 9.7490 10.1732 10.3087 10.4475 11.0773 11.1428 k = 0.5156-0.0090 0.5869 ( 6303 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6075 -17.5253 -17.5187 -17.4349 -17.4315 -17.4282 -17.4177 -17.3369 -17.3331 -17.3297 -17.3289 -10.3964 -10.3962 -10.3959 -10.3954 -7.8506 -7.8496 -7.8372 -7.8355 -7.8354 -7.8350 -1.8872 -1.7921 -1.6891 -1.6786 -1.3548 -1.1554 -1.0201 -1.0101 -0.9949 -0.9844 -0.2358 -0.1656 3.1352 3.3881 4.6777 5.2258 5.2897 5.3991 9.3449 9.6058 9.7496 10.1845 10.2145 10.3883 11.0159 11.0580 k = 0.5078-0.0045 0.5996 ( 6295 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6075 -17.5253 -17.5186 -17.4349 -17.4315 -17.4282 -17.4177 -17.3369 -17.3331 -17.3296 -17.3289 -10.3964 -10.3962 -10.3958 -10.3954 -7.8506 -7.8496 -7.8371 -7.8355 -7.8353 -7.8351 -1.8874 -1.7920 -1.6889 -1.6786 -1.3553 -1.1550 -1.0201 -1.0101 -0.9949 -0.9844 -0.2346 -0.1642 3.1355 3.3900 4.6787 5.2447 5.2851 5.3547 9.4157 9.6911 9.7765 10.0998 10.2341 10.3444 10.9759 10.9963 k = 0.5000-0.0000 0.6124 ( 6268 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6074 -17.5252 -17.5186 -17.4349 -17.4314 -17.4281 -17.4176 -17.3369 -17.3330 -17.3296 -17.3288 -10.3963 -10.3961 -10.3958 -10.3953 -7.8505 -7.8495 -7.8371 -7.8354 -7.8352 -7.8351 -1.8875 -1.7919 -1.6889 -1.6785 -1.3554 -1.1549 -1.0201 -1.0101 -0.9948 -0.9844 -0.2341 -0.1637 3.1356 3.3907 4.6787 5.2457 5.3025 5.3264 9.4393 9.7061 9.8146 10.0543 10.2541 10.3225 10.9637 10.9702 k = 0.5000-0.0000 0.6124 ( 6268 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6074 -17.5252 -17.5186 -17.4349 -17.4314 -17.4281 -17.4176 -17.3369 -17.3330 -17.3296 -17.3288 -10.3963 -10.3961 -10.3958 -10.3953 -7.8505 -7.8495 -7.8371 -7.8354 -7.8352 -7.8351 -1.8875 -1.7919 -1.6889 -1.6785 -1.3554 -1.1549 -1.0201 -1.0101 -0.9948 -0.9844 -0.2341 -0.1637 3.1356 3.3907 4.6787 5.2457 5.3025 5.3264 9.4393 9.7061 9.8146 10.0543 10.2541 10.3225 10.9637 10.9702 k = 0.5000 0.0093 0.5992 ( 6296 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6075 -17.5253 -17.5186 -17.4349 -17.4315 -17.4282 -17.4176 -17.3369 -17.3330 -17.3296 -17.3289 -10.3964 -10.3962 -10.3959 -10.3954 -7.8506 -7.8496 -7.8372 -7.8355 -7.8352 -7.8351 -1.8874 -1.7919 -1.6889 -1.6786 -1.3555 -1.1549 -1.0201 -1.0102 -0.9948 -0.9845 -0.2350 -0.1645 3.1360 3.3911 4.6755 5.2448 5.2731 5.3701 9.4285 9.6965 9.8163 10.0502 10.2385 10.3528 10.9647 10.9866 k = 0.5000 0.0186 0.5860 ( 6304 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6075 -17.5253 -17.5186 -17.4349 -17.4316 -17.4281 -17.4177 -17.3369 -17.3331 -17.3296 -17.3289 -10.3964 -10.3962 -10.3959 -10.3954 -7.8506 -7.8496 -7.8372 -7.8356 -7.8352 -7.8351 -1.8873 -1.7918 -1.6890 -1.6786 -1.3556 -1.1551 -1.0201 -1.0104 -0.9947 -0.9845 -0.2377 -0.1670 3.1373 3.3922 4.6665 5.2119 5.2861 5.4290 9.3986 9.6692 9.8183 10.0347 10.2275 10.4110 10.9809 11.0215 k = 0.5000 0.0279 0.5729 ( 6306 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6100 -17.6075 -17.5252 -17.5186 -17.4350 -17.4317 -17.4280 -17.4177 -17.3369 -17.3331 -17.3296 -17.3289 -10.3964 -10.3962 -10.3959 -10.3955 -7.8506 -7.8496 -7.8372 -7.8357 -7.8352 -7.8351 -1.8871 -1.7916 -1.6892 -1.6788 -1.3557 -1.1554 -1.0202 -1.0108 -0.9945 -0.9846 -0.2422 -0.1711 3.1394 3.3938 4.6544 5.1745 5.3228 5.4927 9.3551 9.6283 9.8142 10.0047 10.2415 10.4802 11.0135 11.0699 k = 0.5000 0.0372 0.5597 ( 6304 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6100 -17.6075 -17.5252 -17.5186 -17.4350 -17.4318 -17.4279 -17.4178 -17.3369 -17.3331 -17.3296 -17.3289 -10.3964 -10.3962 -10.3959 -10.3955 -7.8506 -7.8496 -7.8373 -7.8359 -7.8351 -7.8350 -1.8869 -1.7914 -1.6894 -1.6789 -1.3559 -1.1557 -1.0202 -1.0113 -0.9943 -0.9847 -0.2482 -0.1768 3.1419 3.3953 4.6419 5.1424 5.3713 5.5602 9.3031 9.5778 9.8003 9.9642 10.2787 10.5569 11.0603 11.1292 k = 0.5000 0.0466 0.5465 ( 6298 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6075 -17.5251 -17.5185 -17.4349 -17.4320 -17.4277 -17.4178 -17.3369 -17.3332 -17.3295 -17.3289 -10.3964 -10.3962 -10.3959 -10.3955 -7.8506 -7.8496 -7.8373 -7.8360 -7.8351 -7.8349 -1.8866 -1.7911 -1.6897 -1.6792 -1.3561 -1.1563 -1.0203 -1.0120 -0.9941 -0.9848 -0.2559 -0.1840 3.1446 3.3963 4.6318 5.1171 5.4287 5.6309 9.2461 9.5209 9.7767 9.9188 10.3326 10.6398 11.1186 11.1969 k = 0.5000 0.0559 0.5334 ( 6298 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6100 -17.6076 -17.5250 -17.5185 -17.4349 -17.4322 -17.4276 -17.4179 -17.3368 -17.3332 -17.3295 -17.3289 -10.3964 -10.3962 -10.3959 -10.3955 -7.8506 -7.8496 -7.8373 -7.8361 -7.8350 -7.8348 -1.8861 -1.7908 -1.6901 -1.6795 -1.3563 -1.1569 -1.0204 -1.0128 -0.9938 -0.9850 -0.2649 -0.1925 3.1473 3.3960 4.6266 5.0991 5.4928 5.7043 9.1862 9.4600 9.7457 9.8720 10.3974 10.7278 11.1856 11.2706 k = 0.5000 0.0652 0.5202 ( 6302 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6100 -17.6076 -17.5249 -17.5184 -17.4349 -17.4324 -17.4274 -17.4180 -17.3368 -17.3333 -17.3295 -17.3289 -10.3964 -10.3962 -10.3959 -10.3955 -7.8506 -7.8497 -7.8374 -7.8363 -7.8350 -7.8348 -1.8856 -1.7905 -1.6904 -1.6799 -1.3564 -1.1577 -1.0205 -1.0136 -0.9934 -0.9852 -0.2752 -0.2022 3.1494 3.3938 4.6280 5.0891 5.5621 5.7801 9.1247 9.3964 9.7100 9.8257 10.4693 10.8203 11.2588 11.3481 k = 0.5000 0.0745 0.5070 ( 6300 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6100 -17.6076 -17.5247 -17.5183 -17.4349 -17.4326 -17.4272 -17.4181 -17.3368 -17.3333 -17.3294 -17.3289 -10.3964 -10.3962 -10.3959 -10.3955 -7.8505 -7.8497 -7.8374 -7.8364 -7.8349 -7.8347 -1.8850 -1.7902 -1.6909 -1.6804 -1.3565 -1.1586 -1.0207 -1.0146 -0.9931 -0.9854 -0.2866 -0.2131 3.1508 3.3892 4.6375 5.0874 5.6354 5.8577 9.0623 9.3312 9.6719 9.7811 10.5454 10.9167 11.3355 11.4268 k = 0.5000 0.0838 0.4938 ( 6310 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6100 -17.6077 -17.5246 -17.5183 -17.4350 -17.4328 -17.4270 -17.4183 -17.3367 -17.3334 -17.3294 -17.3289 -10.3964 -10.3962 -10.3960 -10.3956 -7.8506 -7.8497 -7.8375 -7.8366 -7.8349 -7.8347 -1.8843 -1.7899 -1.6913 -1.6810 -1.3565 -1.1598 -1.0209 -1.0157 -0.9927 -0.9856 -0.2989 -0.2249 3.1510 3.3817 4.6559 5.0943 5.7116 5.9367 8.9995 9.2648 9.6332 9.7392 10.6231 11.0165 11.4124 11.5035 k = 0.5000 0.0931 0.4807 ( 6310 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6100 -17.6077 -17.5245 -17.5182 -17.4350 -17.4330 -17.4269 -17.4184 -17.3367 -17.3335 -17.3294 -17.3289 -10.3964 -10.3962 -10.3960 -10.3956 -7.8505 -7.8497 -7.8376 -7.8367 -7.8348 -7.8346 -1.8835 -1.7897 -1.6919 -1.6817 -1.3563 -1.1611 -1.0211 -1.0168 -0.9924 -0.9858 -0.3119 -0.2375 3.1500 3.3712 4.6838 5.1101 5.7900 6.0166 8.9364 9.1975 9.5955 9.7006 10.6999 11.1192 11.4854 11.5734 k = 0.5000 0.1024 0.4675 ( 6316 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6100 -17.6078 -17.5243 -17.5182 -17.4350 -17.4332 -17.4267 -17.4186 -17.3366 -17.3336 -17.3294 -17.3290 -10.3964 -10.3963 -10.3960 -10.3956 -7.8505 -7.8498 -7.8377 -7.8369 -7.8348 -7.8346 -1.8826 -1.7895 -1.6924 -1.6825 -1.3559 -1.1627 -1.0214 -1.0179 -0.9920 -0.9861 -0.3253 -0.2508 3.1474 3.3577 4.7213 5.1349 5.8699 6.0969 8.8731 9.1295 9.5598 9.6657 10.7724 11.2242 11.5475 11.6287 k = 0.5000 0.1117 0.4543 ( 6316 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6100 -17.6078 -17.5241 -17.5181 -17.4350 -17.4334 -17.4265 -17.4188 -17.3366 -17.3337 -17.3293 -17.3290 -10.3964 -10.3963 -10.3960 -10.3956 -7.8505 -7.8498 -7.8377 -7.8370 -7.8347 -7.8345 -1.8815 -1.7894 -1.6930 -1.6835 -1.3552 -1.1645 -1.0217 -1.0191 -0.9916 -0.9863 -0.3391 -0.2646 3.1432 3.3415 4.7683 5.1686 5.9506 6.1773 8.8093 9.0605 9.5272 9.6351 10.8357 11.3296 11.5876 11.6592 k = 0.5000 0.1211 0.4412 ( 6314 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6100 -17.6079 -17.5239 -17.5180 -17.4350 -17.4336 -17.4263 -17.4190 -17.3365 -17.3337 -17.3293 -17.3290 -10.3964 -10.3963 -10.3960 -10.3957 -7.8505 -7.8498 -7.8378 -7.8372 -7.8346 -7.8344 -1.8803 -1.7895 -1.6935 -1.6846 -1.3542 -1.1665 -1.0221 -1.0204 -0.9912 -0.9865 -0.3530 -0.2787 3.1375 3.3230 4.8243 5.2111 6.0316 6.2570 8.7449 8.9905 9.4986 9.6092 10.8824 11.4272 11.5900 11.6651 k = 0.5000 0.1304 0.4280 ( 6310 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6100 -17.6079 -17.5237 -17.5180 -17.4350 -17.4338 -17.4261 -17.4191 -17.3364 -17.3338 -17.3292 -17.3290 -10.3964 -10.3963 -10.3960 -10.3957 -7.8505 -7.8498 -7.8379 -7.8373 -7.8345 -7.8344 -1.8789 -1.7897 -1.6941 -1.6858 -1.3529 -1.1689 -1.0225 -1.0216 -0.9908 -0.9867 -0.3668 -0.2931 3.1304 3.3025 4.8888 5.2621 6.1123 6.3356 8.6797 8.9191 9.4746 9.5884 10.9025 11.4514 11.6022 11.6695 k = 0.5000 0.1397 0.4148 ( 6308 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6100 -17.6080 -17.5235 -17.5179 -17.4350 -17.4339 -17.4260 -17.4193 -17.3363 -17.3339 -17.3292 -17.3290 -10.3964 -10.3963 -10.3960 -10.3957 -7.8505 -7.8499 -7.8380 -7.8375 -7.8345 -7.8343 -1.8774 -1.7901 -1.6948 -1.6870 -1.3513 -1.1716 -1.0232 -1.0227 -0.9905 -0.9869 -0.3803 -0.3076 3.1220 3.2807 4.9612 5.3213 6.1921 6.4124 8.6132 8.8460 9.4561 9.5730 10.8872 11.3551 11.6684 11.7120 k = 0.5000 0.1490 0.4017 ( 6312 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6100 -17.6081 -17.5232 -17.5179 -17.4350 -17.4341 -17.4258 -17.4196 -17.3363 -17.3340 -17.3292 -17.3290 -10.3964 -10.3963 -10.3960 -10.3957 -7.8505 -7.8499 -7.8381 -7.8376 -7.8344 -7.8343 -1.8758 -1.7907 -1.6954 -1.6884 -1.3492 -1.1747 -1.0243 -1.0234 -0.9901 -0.9871 -0.3934 -0.3220 3.1126 3.2579 5.0408 5.3883 6.2704 6.4870 8.5450 8.7706 9.4436 9.5634 10.8357 11.2240 11.7084 11.8194 k = 0.5000 0.1583 0.3885 ( 6306 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6081 -17.5229 -17.5178 -17.4350 -17.4342 -17.4256 -17.4198 -17.3362 -17.3340 -17.3292 -17.3290 -10.3964 -10.3963 -10.3960 -10.3957 -7.8505 -7.8500 -7.8381 -7.8378 -7.8343 -7.8342 -1.8739 -1.7916 -1.6960 -1.6898 -1.3466 -1.1781 -1.0255 -1.0240 -0.9897 -0.9872 -0.4060 -0.3363 3.1024 3.2347 5.1270 5.4626 6.3467 6.5587 8.4747 8.6925 9.4377 9.5598 10.7562 11.0840 11.7630 11.9369 k = 0.5000 0.1676 0.3753 ( 6312 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6082 -17.5227 -17.5178 -17.4350 -17.4344 -17.4255 -17.4200 -17.3361 -17.3341 -17.3292 -17.3290 -10.3964 -10.3963 -10.3960 -10.3958 -7.8505 -7.8500 -7.8382 -7.8379 -7.8343 -7.8342 -1.8719 -1.7927 -1.6966 -1.6913 -1.3436 -1.1820 -1.0267 -1.0246 -0.9894 -0.9873 -0.4178 -0.3503 3.0917 3.2115 5.2191 5.5435 6.4204 6.6270 8.4020 8.6111 9.4390 9.5624 10.6603 10.9436 11.8298 12.0559 k = 0.5000 0.1769 0.3622 ( 6320 PWs) bands (ev): -45.5530 -45.5530 -45.4580 -45.4580 -17.6099 -17.6083 -17.5224 -17.5179 -17.4350 -17.4345 -17.4253 -17.4203 -17.3360 -17.3342 -17.3292 -17.3290 -10.3964 -10.3964 -10.3960 -10.3958 -7.8505 -7.8501 -7.8383 -7.8380 -7.8342 -7.8341 -1.8697 -1.7941 -1.6973 -1.6927 -1.3401 -1.1863 -1.0279 -1.0253 -0.9890 -0.9874 -0.4288 -0.3639 3.0809 3.1887 5.3163 5.6307 6.4908 6.6913 8.3263 8.5259 9.4477 9.5714 10.5575 10.8069 11.8986 12.1700 k = 0.5000 0.1862 0.3490 ( 6318 PWs) bands (ev): -45.5530 -45.5530 -45.4580 -45.4580 -17.6099 -17.6084 -17.5222 -17.5179 -17.4350 -17.4346 -17.4251 -17.4205 -17.3359 -17.3343 -17.3292 -17.3291 -10.3964 -10.3964 -10.3960 -10.3958 -7.8505 -7.8501 -7.8384 -7.8381 -7.8341 -7.8341 -1.8674 -1.7958 -1.6979 -1.6942 -1.3361 -1.1910 -1.0290 -1.0260 -0.9887 -0.9874 -0.4388 -0.3771 3.0701 3.1665 5.4182 5.7234 6.5574 6.7513 8.2475 8.4365 9.4640 9.5869 10.4545 10.6765 11.9524 12.2462 k = 0.5000 0.1956 0.3358 ( 6318 PWs) bands (ev): -45.5530 -45.5530 -45.4580 -45.4580 -17.6098 -17.6084 -17.5219 -17.5179 -17.4350 -17.4347 -17.4250 -17.4207 -17.3358 -17.3343 -17.3291 -17.3291 -10.3964 -10.3964 -10.3960 -10.3958 -7.8505 -7.8502 -7.8384 -7.8383 -7.8341 -7.8340 -1.8648 -1.7978 -1.6985 -1.6955 -1.3317 -1.1961 -1.0299 -1.0267 -0.9884 -0.9874 -0.4479 -0.3898 3.0597 3.1452 5.5239 5.8209 6.6195 6.8066 8.1652 8.3426 9.4881 9.6086 10.3559 10.5541 11.9603 12.1831 k = 0.5000 0.2049 0.3226 ( 6312 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6098 -17.6085 -17.5216 -17.5180 -17.4350 -17.4348 -17.4248 -17.4210 -17.3357 -17.3344 -17.3291 -17.3291 -10.3964 -10.3964 -10.3960 -10.3958 -7.8505 -7.8502 -7.8385 -7.8383 -7.8340 -7.8339 -1.8621 -1.8001 -1.6991 -1.6968 -1.3267 -1.2017 -1.0308 -1.0275 -0.9881 -0.9874 -0.4558 -0.4019 3.0499 3.1251 5.6327 5.9225 6.6766 6.8572 8.0797 8.2441 9.5197 9.6363 10.2644 10.4409 11.9013 12.0472 k = 0.5000 0.2142 0.3095 ( 6314 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6097 -17.6086 -17.5213 -17.5180 -17.4350 -17.4349 -17.4246 -17.4212 -17.3356 -17.3344 -17.3291 -17.3291 -10.3964 -10.3964 -10.3960 -10.3958 -7.8505 -7.8502 -7.8386 -7.8384 -7.8339 -7.8339 -1.8592 -1.8026 -1.6996 -1.6980 -1.3213 -1.2077 -1.0316 -1.0282 -0.9879 -0.9873 -0.4626 -0.4133 3.0408 3.1064 5.7439 6.0272 6.7278 6.9031 7.9911 8.1410 9.5583 9.6695 10.1821 10.3380 11.7995 11.9034 k = 0.5000 0.2235 0.2963 ( 6314 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6097 -17.6087 -17.5210 -17.5181 -17.4350 -17.4349 -17.4244 -17.4215 -17.3355 -17.3345 -17.3291 -17.3291 -10.3965 -10.3964 -10.3960 -10.3959 -7.8505 -7.8503 -7.8386 -7.8385 -7.8339 -7.8339 -1.8561 -1.8055 -1.7002 -1.6990 -1.3155 -1.2140 -1.0322 -1.0289 -0.9876 -0.9873 -0.4682 -0.4239 3.0328 3.0891 5.8564 6.1336 6.7727 6.9446 7.9002 8.0340 9.6030 9.7070 10.1103 10.2460 11.6832 11.7630 k = 0.5000 0.2328 0.2831 ( 6310 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6096 -17.6088 -17.5207 -17.5182 -17.4350 -17.4350 -17.4243 -17.4217 -17.3354 -17.3345 -17.3291 -17.3291 -10.3965 -10.3964 -10.3959 -10.3958 -7.8505 -7.8503 -7.8387 -7.8386 -7.8338 -7.8338 -1.8529 -1.8087 -1.7007 -1.6999 -1.3092 -1.2208 -1.0327 -1.0297 -0.9874 -0.9872 -0.4725 -0.4338 3.0260 3.0734 5.9693 6.2400 6.8110 6.9822 7.8082 7.9239 9.6523 9.7474 10.0499 10.1655 11.5659 11.6298 k = 0.5000 0.2421 0.2700 ( 6312 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6096 -17.6088 -17.5205 -17.5183 -17.4351 -17.4350 -17.4241 -17.4219 -17.3354 -17.3346 -17.3291 -17.3291 -10.3965 -10.3965 -10.3959 -10.3959 -7.8505 -7.8503 -7.8387 -7.8387 -7.8338 -7.8338 -1.8495 -1.8120 -1.7011 -1.7006 -1.3026 -1.2278 -1.0331 -1.0304 -0.9873 -0.9871 -0.4757 -0.4427 3.0205 3.0595 6.0810 6.3433 6.8431 7.0163 7.7168 7.8121 9.7042 9.7879 10.0020 10.0969 11.4546 11.5065 k = 0.5000 0.2514 0.2568 ( 6312 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6095 -17.6089 -17.5202 -17.5185 -17.4351 -17.4350 -17.4239 -17.4222 -17.3353 -17.3347 -17.3291 -17.3291 -10.3965 -10.3965 -10.3959 -10.3959 -7.8505 -7.8503 -7.8388 -7.8387 -7.8338 -7.8338 -1.8459 -1.8155 -1.7015 -1.7012 -1.2957 -1.2351 -1.0333 -1.0310 -0.9871 -0.9871 -0.4776 -0.4508 3.0165 3.0473 6.1898 6.4380 6.8716 7.0470 7.6287 7.7008 9.7555 9.8243 9.9683 10.0408 11.3542 11.3959 k = 0.5000 0.2607 0.2436 ( 6308 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6094 -17.6090 -17.5199 -17.5186 -17.4351 -17.4351 -17.4237 -17.4224 -17.3352 -17.3347 -17.3291 -17.3291 -10.3965 -10.3965 -10.3959 -10.3959 -7.8505 -7.8504 -7.8388 -7.8388 -7.8337 -7.8337 -1.8423 -1.8192 -1.7018 -1.7017 -1.2885 -1.2426 -1.0334 -1.0316 -0.9870 -0.9870 -0.4782 -0.4580 3.0141 3.0370 6.2932 6.5146 6.9025 7.0731 7.5472 7.5938 9.8015 9.8498 9.9522 9.9986 11.2695 11.3016 k = 0.5000 0.2701 0.2305 ( 6296 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6094 -17.6091 -17.5197 -17.5188 -17.4350 -17.4350 -17.4235 -17.4226 -17.3351 -17.3348 -17.3291 -17.3291 -10.3964 -10.3964 -10.3959 -10.3958 -7.8504 -7.8504 -7.8388 -7.8387 -7.8337 -7.8337 -1.8385 -1.8230 -1.7020 -1.7020 -1.2811 -1.2503 -1.0334 -1.0321 -0.9869 -0.9869 -0.4777 -0.4641 3.0134 3.0286 6.3878 6.5594 6.9449 7.0904 7.4773 7.4988 9.8357 9.8598 9.9537 9.9726 11.2053 11.2274 k = 0.5000 0.2794 0.2173 ( 6304 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6093 -17.6092 -17.5194 -17.5190 -17.4351 -17.4351 -17.4233 -17.4228 -17.3350 -17.3349 -17.3291 -17.3291 -10.3965 -10.3965 -10.3959 -10.3959 -7.8504 -7.8504 -7.8388 -7.8388 -7.8337 -7.8337 -1.8347 -1.8269 -1.7022 -1.7022 -1.2735 -1.2580 -1.0332 -1.0326 -0.9869 -0.9869 -0.4760 -0.4691 3.0145 3.0220 6.4690 6.5636 7.0011 7.0889 7.4263 7.4302 9.8527 9.8611 9.9611 9.9638 11.1666 11.1780 k = 0.5000 0.2887 0.2041 ( 6322 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6093 -17.6093 -17.5193 -17.5193 -17.4352 -17.4352 -17.4231 -17.4231 -17.3350 -17.3350 -17.3291 -17.3291 -10.3965 -10.3965 -10.3959 -10.3959 -7.8505 -7.8505 -7.8388 -7.8388 -7.8337 -7.8337 -1.8308 -1.8308 -1.7022 -1.7022 -1.2658 -1.2658 -1.0330 -1.0330 -0.9869 -0.9869 -0.4731 -0.4731 3.0173 3.0173 6.5304 6.5304 7.0568 7.0568 7.4058 7.4058 9.8588 9.8588 9.9640 9.9640 11.1571 11.1571 k = 0.5000 0.2887 0.2041 ( 6322 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6093 -17.6093 -17.5193 -17.5193 -17.4352 -17.4352 -17.4231 -17.4231 -17.3350 -17.3350 -17.3291 -17.3291 -10.3965 -10.3965 -10.3959 -10.3959 -7.8505 -7.8505 -7.8388 -7.8388 -7.8337 -7.8337 -1.8308 -1.8308 -1.7022 -1.7022 -1.2658 -1.2658 -1.0330 -1.0330 -0.9869 -0.9869 -0.4731 -0.4731 3.0173 3.0173 6.5304 6.5304 7.0568 7.0568 7.4058 7.4058 9.8588 9.8588 9.9640 9.9640 11.1571 11.1571 k = 0.4954 0.2860 0.2192 ( 6301 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6093 -17.6091 -17.5194 -17.5190 -17.4351 -17.4351 -17.4233 -17.4228 -17.3350 -17.3349 -17.3291 -17.3291 -10.3964 -10.3964 -10.3959 -10.3959 -7.8504 -7.8504 -7.8388 -7.8388 -7.8337 -7.8337 -1.8346 -1.8269 -1.7022 -1.7022 -1.2734 -1.2580 -1.0332 -1.0326 -0.9869 -0.9869 -0.4760 -0.4692 3.0145 3.0220 6.4694 6.5635 7.0014 7.0888 7.4262 7.4298 9.8530 9.8609 9.9622 9.9628 11.1664 11.1778 k = 0.4907 0.2833 0.2344 ( 6297 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6094 -17.6091 -17.5197 -17.5188 -17.4350 -17.4350 -17.4235 -17.4226 -17.3351 -17.3348 -17.3291 -17.3291 -10.3964 -10.3964 -10.3959 -10.3959 -7.8504 -7.8504 -7.8388 -7.8387 -7.8337 -7.8337 -1.8385 -1.8231 -1.7020 -1.7020 -1.2810 -1.2504 -1.0334 -1.0321 -0.9869 -0.9869 -0.4777 -0.4641 3.0134 3.0285 6.3889 6.5597 6.9457 7.0904 7.4773 7.4972 9.8389 9.8558 9.9620 9.9654 11.2047 11.2267 k = 0.4861 0.2807 0.2495 ( 6306 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6094 -17.6090 -17.5199 -17.5186 -17.4351 -17.4350 -17.4237 -17.4224 -17.3352 -17.3347 -17.3291 -17.3291 -10.3965 -10.3965 -10.3959 -10.3959 -7.8505 -7.8504 -7.8388 -7.8387 -7.8337 -7.8337 -1.8422 -1.8193 -1.7018 -1.7017 -1.2884 -1.2427 -1.0334 -1.0316 -0.9870 -0.9870 -0.4782 -0.4581 3.0141 3.0369 6.2949 6.5153 6.9044 7.0726 7.5478 7.5901 9.8118 9.8355 9.9747 9.9805 11.2683 11.3000 k = 0.4815 0.2780 0.2646 ( 6300 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6095 -17.6089 -17.5202 -17.5185 -17.4350 -17.4350 -17.4239 -17.4221 -17.3352 -17.3347 -17.3291 -17.3291 -10.3964 -10.3964 -10.3959 -10.3958 -7.8505 -7.8503 -7.8387 -7.8387 -7.8337 -7.8337 -1.8458 -1.8156 -1.7015 -1.7012 -1.2955 -1.2353 -1.0333 -1.0310 -0.9871 -0.9870 -0.4776 -0.4510 3.0165 3.0471 6.1922 6.4390 6.8763 7.0453 7.6301 7.6938 9.7746 9.8012 10.0037 10.0101 11.3525 11.3934 k = 0.4769 0.2753 0.2797 ( 6312 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6096 -17.6088 -17.5205 -17.5183 -17.4350 -17.4350 -17.4241 -17.4219 -17.3354 -17.3346 -17.3291 -17.3291 -10.3965 -10.3965 -10.3959 -10.3959 -7.8505 -7.8503 -7.8387 -7.8387 -7.8338 -7.8338 -1.8494 -1.8121 -1.7011 -1.7006 -1.3024 -1.2280 -1.0331 -1.0304 -0.9873 -0.9871 -0.4757 -0.4430 3.0204 3.0591 6.0838 6.3439 6.8533 7.0129 7.7187 7.7998 9.7340 9.7603 10.0460 10.0521 11.4523 11.5027 k = 0.4722 0.2726 0.2948 ( 6315 PWs) bands (ev): -45.5530 -45.5530 -45.4579 -45.4579 -17.6096 -17.6088 -17.5207 -17.5182 -17.4350 -17.4350 -17.4243 -17.4217 -17.3355 -17.3346 -17.3292 -17.3291 -10.3965 -10.3965 -10.3960 -10.3959 -7.8505 -7.8503 -7.8387 -7.8386 -7.8338 -7.8338 -1.8527 -1.8088 -1.7007 -1.6999 -1.3090 -1.2210 -1.0327 -1.0297 -0.9875 -0.9872 -0.4726 -0.4341 3.0258 3.0729 5.9722 6.2396 6.8298 6.9772 7.8091 7.9032 9.6962 9.7195 10.0990 10.1046 11.5632 11.6247 k = 0.4676 0.2700 0.3100 ( 6322 PWs) bands (ev): -45.5530 -45.5530 -45.4580 -45.4580 -17.6097 -17.6087 -17.5210 -17.5181 -17.4350 -17.4350 -17.4245 -17.4215 -17.3356 -17.3345 -17.3292 -17.3291 -10.3965 -10.3965 -10.3960 -10.3959 -7.8505 -7.8503 -7.8387 -7.8386 -7.8339 -7.8339 -1.8560 -1.8057 -1.7003 -1.6989 -1.3152 -1.2143 -1.0322 -1.0290 -0.9877 -0.9872 -0.4684 -0.4243 3.0325 3.0884 5.8591 6.1315 6.8036 6.9388 7.8972 7.9997 9.6664 9.6836 10.1614 10.1663 11.6795 11.7566 k = 0.4630 0.2673 0.3251 ( 6321 PWs) bands (ev): -45.5530 -45.5530 -45.4580 -45.4580 -17.6098 -17.6086 -17.5213 -17.5180 -17.4350 -17.4349 -17.4246 -17.4212 -17.3356 -17.3345 -17.3292 -17.3291 -10.3965 -10.3965 -10.3960 -10.3958 -7.8505 -7.8502 -7.8386 -7.8385 -7.8340 -7.8339 -1.8590 -1.8028 -1.6998 -1.6979 -1.3210 -1.2080 -1.0316 -1.0282 -0.9879 -0.9873 -0.4629 -0.4138 3.0404 3.1055 5.7457 6.0226 6.7740 6.8984 7.9793 8.0856 9.6493 9.6569 10.2321 10.2362 11.7932 11.8956 k = 0.4583 0.2646 0.3402 ( 6319 PWs) bands (ev): -45.5530 -45.5530 -45.4580 -45.4580 -17.6098 -17.6085 -17.5216 -17.5180 -17.4350 -17.4348 -17.4248 -17.4210 -17.3357 -17.3344 -17.3292 -17.3291 -10.3965 -10.3964 -10.3960 -10.3958 -7.8505 -7.8502 -7.8385 -7.8384 -7.8340 -7.8339 -1.8619 -1.8002 -1.6994 -1.6966 -1.3263 -1.2021 -1.0308 -1.0275 -0.9882 -0.9873 -0.4562 -0.4025 3.0493 3.1241 5.6330 5.9148 6.7414 6.8564 8.0520 8.1575 9.6428 9.6490 10.3102 10.3135 11.8869 12.0373 k = 0.4537 0.2619 0.3553 ( 6317 PWs) bands (ev): -45.5530 -45.5530 -45.4580 -45.4580 -17.6098 -17.6084 -17.5219 -17.5179 -17.4350 -17.4347 -17.4249 -17.4208 -17.3358 -17.3343 -17.3292 -17.3291 -10.3964 -10.3964 -10.3960 -10.3958 -7.8505 -7.8502 -7.8385 -7.8383 -7.8341 -7.8340 -1.8646 -1.7979 -1.6989 -1.6953 -1.3312 -1.1966 -1.0299 -1.0268 -0.9885 -0.9873 -0.4484 -0.3906 3.0590 3.1440 5.5219 5.8092 6.7062 6.8132 8.1123 8.2126 9.6442 9.6689 10.3949 10.3973 11.9278 12.1643 k = 0.4491 0.2593 0.3704 ( 6321 PWs) bands (ev): -45.5530 -45.5530 -45.4580 -45.4580 -17.6099 -17.6084 -17.5222 -17.5179 -17.4350 -17.4347 -17.4251 -17.4205 -17.3359 -17.3343 -17.3292 -17.3291 -10.3964 -10.3964 -10.3960 -10.3958 -7.8505 -7.8501 -7.8384 -7.8382 -7.8342 -7.8340 -1.8671 -1.7960 -1.6984 -1.6939 -1.3355 -1.1916 -1.0289 -1.0261 -0.9889 -0.9873 -0.4395 -0.3781 3.0692 3.1650 5.4131 5.7069 6.6689 6.7691 8.1582 8.2494 9.6629 9.7105 10.4856 10.4869 11.8968 12.1815 k = 0.4444 0.2566 0.3856 ( 6319 PWs) bands (ev): -45.5530 -45.5529 -45.4580 -45.4580 -17.6099 -17.6083 -17.5224 -17.5179 -17.4350 -17.4346 -17.4253 -17.4203 -17.3360 -17.3342 -17.3292 -17.3290 -10.3964 -10.3964 -10.3960 -10.3958 -7.8505 -7.8501 -7.8383 -7.8380 -7.8342 -7.8341 -1.8694 -1.7943 -1.6979 -1.6924 -1.3394 -1.1870 -1.0278 -1.0254 -0.9892 -0.9872 -0.4296 -0.3650 3.0798 3.1870 5.3074 5.6085 6.6301 6.7247 8.1887 8.2684 9.6993 9.7736 10.5813 10.5814 11.8204 12.0726 k = 0.4398 0.2539 0.4007 ( 6315 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6082 -17.5227 -17.5179 -17.4350 -17.4344 -17.4254 -17.4201 -17.3360 -17.3341 -17.3292 -17.3290 -10.3964 -10.3964 -10.3960 -10.3958 -7.8505 -7.8500 -7.8382 -7.8379 -7.8343 -7.8341 -1.8715 -1.7930 -1.6974 -1.6908 -1.3426 -1.1830 -1.0266 -1.0247 -0.9896 -0.9871 -0.4188 -0.3516 3.0903 3.2095 5.2054 5.5149 6.5903 6.6801 8.2043 8.2715 9.7519 9.8562 10.6801 10.6812 11.7259 11.9404 k = 0.4352 0.2513 0.4158 ( 6317 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6081 -17.5229 -17.5179 -17.4349 -17.4343 -17.4256 -17.4199 -17.3361 -17.3341 -17.3293 -17.3290 -10.3964 -10.3964 -10.3960 -10.3957 -7.8505 -7.8500 -7.8382 -7.8378 -7.8344 -7.8341 -1.8735 -1.7920 -1.6970 -1.6893 -1.3453 -1.1794 -1.0253 -1.0241 -0.9900 -0.9869 -0.4071 -0.3379 3.1006 3.2323 5.1079 5.4266 6.5500 6.6358 8.2069 8.2618 9.8181 9.9550 10.7817 10.7841 11.6271 11.8057 k = 0.4306 0.2486 0.4309 ( 6323 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6100 -17.6081 -17.5232 -17.5179 -17.4350 -17.4342 -17.4257 -17.4197 -17.3362 -17.3340 -17.3293 -17.3290 -10.3964 -10.3964 -10.3960 -10.3957 -7.8505 -7.8500 -7.8381 -7.8377 -7.8345 -7.8342 -1.8752 -1.7912 -1.6965 -1.6878 -1.3475 -1.1763 -1.0240 -1.0235 -0.9904 -0.9868 -0.3949 -0.3239 3.1102 3.2549 5.0155 5.3444 6.5095 6.5921 8.1988 8.2423 9.8935 10.0664 10.8845 10.8876 11.5321 11.6741 k = 0.4259 0.2459 0.4460 ( 6319 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6100 -17.6080 -17.5234 -17.5180 -17.4349 -17.4340 -17.4259 -17.4195 -17.3363 -17.3339 -17.3293 -17.3290 -10.3964 -10.3964 -10.3960 -10.3957 -7.8505 -7.8500 -7.8380 -7.8375 -7.8346 -7.8342 -1.8767 -1.7908 -1.6961 -1.6864 -1.3491 -1.1737 -1.0230 -1.0226 -0.9908 -0.9865 -0.3821 -0.3099 3.1189 3.2769 4.9291 5.2688 6.4693 6.5492 8.1825 8.2160 9.9730 10.1866 10.9848 10.9871 11.4500 11.5506 k = 0.4213 0.2432 0.4612 ( 6322 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6100 -17.6080 -17.5236 -17.5180 -17.4349 -17.4339 -17.4260 -17.4193 -17.3363 -17.3339 -17.3294 -17.3290 -10.3964 -10.3964 -10.3960 -10.3957 -7.8505 -7.8500 -7.8379 -7.8374 -7.8347 -7.8342 -1.8781 -1.7905 -1.6957 -1.6850 -1.3502 -1.1714 -1.0225 -1.0212 -0.9911 -0.9863 -0.3689 -0.2960 3.1264 3.2977 4.8495 5.2004 6.4297 6.5073 8.1603 8.1852 10.0503 10.3113 11.0705 11.0723 11.3971 11.4470 k = 0.4167 0.2406 0.4763 ( 6330 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6100 -17.6080 -17.5239 -17.5181 -17.4349 -17.4337 -17.4262 -17.4192 -17.3364 -17.3338 -17.3294 -17.3290 -10.3965 -10.3964 -10.3960 -10.3957 -7.8506 -7.8500 -7.8379 -7.8373 -7.8348 -7.8343 -1.8792 -1.7905 -1.6954 -1.6838 -1.3508 -1.1697 -1.0221 -1.0199 -0.9915 -0.9860 -0.3556 -0.2823 3.1323 3.3166 4.7777 5.1397 6.3909 6.4668 8.1343 8.1517 10.1175 10.4347 11.1141 11.1155 11.3978 11.4027 k = 0.4120 0.2379 0.4914 ( 6326 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6100 -17.6079 -17.5240 -17.5182 -17.4349 -17.4336 -17.4263 -17.4191 -17.3364 -17.3337 -17.3295 -17.3290 -10.3965 -10.3964 -10.3959 -10.3957 -7.8506 -7.8499 -7.8378 -7.8371 -7.8349 -7.8343 -1.8802 -1.7907 -1.6950 -1.6827 -1.3509 -1.1683 -1.0217 -1.0185 -0.9919 -0.9857 -0.3423 -0.2689 3.1365 3.3330 4.7145 5.0873 6.3532 6.4278 8.1059 8.1170 10.1653 10.5452 11.0893 11.1193 11.4373 11.4723 k = 0.4074 0.2352 0.5065 ( 6327 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6100 -17.6079 -17.5242 -17.5183 -17.4349 -17.4334 -17.4264 -17.4190 -17.3365 -17.3337 -17.3295 -17.3290 -10.3965 -10.3964 -10.3959 -10.3956 -7.8506 -7.8499 -7.8378 -7.8370 -7.8349 -7.8343 -1.8809 -1.7911 -1.6947 -1.6818 -1.3506 -1.1673 -1.0213 -1.0172 -0.9923 -0.9854 -0.3293 -0.2562 3.1388 3.3463 4.6610 5.0435 6.3169 6.3906 8.0766 8.0822 10.1849 10.6160 11.0587 11.1241 11.5242 11.5739 k = 0.4028 0.2325 0.5217 ( 6327 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6100 -17.6078 -17.5243 -17.5184 -17.4349 -17.4332 -17.4266 -17.4189 -17.3365 -17.3336 -17.3296 -17.3290 -10.3965 -10.3964 -10.3959 -10.3956 -7.8506 -7.8499 -7.8377 -7.8368 -7.8350 -7.8343 -1.8815 -1.7917 -1.6945 -1.6810 -1.3498 -1.1666 -1.0210 -1.0159 -0.9927 -0.9851 -0.3167 -0.2442 3.1392 3.3557 4.6179 5.0086 6.2822 6.3552 8.0472 8.0480 10.1722 10.6114 11.0913 11.1502 11.6231 11.6873 k = 0.3981 0.2299 0.5368 ( 6322 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6100 -17.6078 -17.5244 -17.5185 -17.4348 -17.4330 -17.4267 -17.4188 -17.3365 -17.3335 -17.3297 -17.3289 -10.3965 -10.3964 -10.3959 -10.3956 -7.8506 -7.8499 -7.8377 -7.8367 -7.8351 -7.8342 -1.8819 -1.7924 -1.6943 -1.6804 -1.3487 -1.1663 -1.0207 -1.0147 -0.9930 -0.9848 -0.3049 -0.2332 3.1377 3.3610 4.5859 4.9828 6.2491 6.3218 8.0151 8.0185 10.1299 10.5419 11.1845 11.1994 11.7218 11.8044 k = 0.3935 0.2272 0.5519 ( 6316 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6077 -17.5245 -17.5185 -17.4348 -17.4328 -17.4268 -17.4188 -17.3365 -17.3335 -17.3297 -17.3289 -10.3965 -10.3964 -10.3958 -10.3955 -7.8506 -7.8499 -7.8376 -7.8366 -7.8351 -7.8342 -1.8821 -1.7932 -1.6941 -1.6800 -1.3473 -1.1662 -1.0205 -1.0135 -0.9934 -0.9846 -0.2941 -0.2234 3.1347 3.3620 4.5653 4.9659 6.2180 6.2906 7.9839 7.9911 10.0651 10.4432 11.2650 11.3034 11.8148 11.9209 k = 0.3889 0.2245 0.5670 ( 6314 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6077 -17.5246 -17.5186 -17.4347 -17.4326 -17.4269 -17.4188 -17.3365 -17.3334 -17.3298 -17.3290 -10.3965 -10.3964 -10.3958 -10.3955 -7.8506 -7.8499 -7.8376 -7.8365 -7.8352 -7.8342 -1.8822 -1.7941 -1.6939 -1.6797 -1.3456 -1.1665 -1.0202 -1.0124 -0.9937 -0.9843 -0.2846 -0.2150 3.1304 3.3590 4.5562 4.9580 6.1889 6.2617 7.9548 7.9655 9.9852 10.3336 11.3382 11.4277 11.8985 12.0332 k = 0.3843 0.2219 0.5821 ( 6312 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6077 -17.5246 -17.5187 -17.4347 -17.4324 -17.4270 -17.4188 -17.3364 -17.3333 -17.3298 -17.3290 -10.3965 -10.3965 -10.3957 -10.3955 -7.8506 -7.8499 -7.8376 -7.8364 -7.8352 -7.8342 -1.8821 -1.7950 -1.6938 -1.6795 -1.3436 -1.1670 -1.0200 -1.0114 -0.9941 -0.9841 -0.2765 -0.2082 3.1255 3.3525 4.5582 4.9586 6.1620 6.2353 7.9280 7.9419 9.8959 10.2203 11.4113 11.5460 11.9722 12.1377 k = 0.3796 0.2192 0.5973 ( 6314 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6099 -17.6077 -17.5246 -17.5188 -17.4346 -17.4323 -17.4271 -17.4188 -17.3364 -17.3332 -17.3299 -17.3290 -10.3965 -10.3965 -10.3957 -10.3955 -7.8506 -7.8500 -7.8375 -7.8364 -7.8352 -7.8342 -1.8818 -1.7961 -1.6937 -1.6794 -1.3415 -1.1678 -1.0198 -1.0104 -0.9945 -0.9839 -0.2702 -0.2033 3.1205 3.3435 4.5704 4.9675 6.1374 6.2114 7.9038 7.9208 9.8010 10.1064 11.4785 11.6490 12.0386 12.2302 k = 0.3750 0.2165 0.6124 ( 6307 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6098 -17.6077 -17.5246 -17.5189 -17.4346 -17.4321 -17.4272 -17.4189 -17.3363 -17.3332 -17.3300 -17.3290 -10.3965 -10.3965 -10.3957 -10.3954 -7.8507 -7.8500 -7.8375 -7.8363 -7.8351 -7.8341 -1.8813 -1.7972 -1.6936 -1.6795 -1.3392 -1.1689 -1.0196 -1.0095 -0.9948 -0.9838 -0.2659 -0.2004 3.1160 3.3331 4.5921 4.9839 6.1152 6.1901 7.8822 7.9021 9.7032 9.9933 11.5357 11.7281 12.1031 12.3066 k = 0.6250-0.0722 0.4082 ( 6307 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6098 -17.6077 -17.5246 -17.5189 -17.4346 -17.4321 -17.4272 -17.4189 -17.3363 -17.3332 -17.3300 -17.3290 -10.3965 -10.3965 -10.3957 -10.3954 -7.8507 -7.8500 -7.8375 -7.8363 -7.8351 -7.8341 -1.8813 -1.7972 -1.6936 -1.6795 -1.3392 -1.1689 -1.0196 -1.0095 -0.9948 -0.9838 -0.2659 -0.2004 3.1160 3.3331 4.5921 4.9839 6.1152 6.1901 7.8822 7.9021 9.7032 9.9933 11.5357 11.7281 12.1031 12.3066 k = 0.6172-0.0857 0.4082 ( 6313 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6098 -17.6078 -17.5246 -17.5191 -17.4345 -17.4318 -17.4274 -17.4191 -17.3363 -17.3331 -17.3301 -17.3291 -10.3966 -10.3965 -10.3957 -10.3954 -7.8507 -7.8500 -7.8375 -7.8364 -7.8351 -7.8341 -1.8802 -1.7992 -1.6936 -1.6797 -1.3350 -1.1710 -1.0193 -1.0081 -0.9954 -0.9837 -0.2610 -0.1981 3.1097 3.3146 4.6400 5.0213 6.0809 6.1578 7.8487 7.8735 9.5348 9.8046 11.6251 11.8384 12.2138 12.4217 k = 0.6094-0.0992 0.4082 ( 6305 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6097 -17.6078 -17.5245 -17.5192 -17.4344 -17.4314 -17.4276 -17.4192 -17.3362 -17.3329 -17.3303 -17.3291 -10.3965 -10.3965 -10.3956 -10.3954 -7.8507 -7.8501 -7.8375 -7.8364 -7.8349 -7.8340 -1.8790 -1.8013 -1.6935 -1.6801 -1.3305 -1.1736 -1.0189 -1.0067 -0.9960 -0.9835 -0.2572 -0.1971 3.1038 3.2955 4.6954 5.0654 6.0490 6.1282 7.8163 7.8459 9.3646 9.6184 11.7193 11.9492 12.3272 12.5389 k = 0.6016-0.1128 0.4082 ( 6315 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6097 -17.6078 -17.5245 -17.5194 -17.4343 -17.4312 -17.4277 -17.4194 -17.3361 -17.3328 -17.3305 -17.3292 -10.3966 -10.3966 -10.3956 -10.3954 -7.8508 -7.8502 -7.8375 -7.8365 -7.8348 -7.8340 -1.8775 -1.8036 -1.6933 -1.6805 -1.3256 -1.1764 -1.0185 -1.0055 -0.9965 -0.9834 -0.2544 -0.1973 3.0984 3.2761 4.7576 5.1155 6.0196 6.1014 7.7849 7.8194 9.1945 9.4355 11.8168 12.0597 12.4431 12.6579 k = 0.5938-0.1263 0.4082 ( 6299 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6096 -17.6078 -17.5243 -17.5195 -17.4342 -17.4308 -17.4279 -17.4196 -17.3359 -17.3326 -17.3306 -17.3292 -10.3966 -10.3966 -10.3956 -10.3953 -7.8508 -7.8502 -7.8374 -7.8365 -7.8347 -7.8339 -1.8759 -1.8060 -1.6932 -1.6810 -1.3204 -1.1796 -1.0181 -1.0044 -0.9969 -0.9834 -0.2524 -0.1985 3.0934 3.2568 4.8254 5.1709 5.9932 6.0777 7.7544 7.7939 9.0263 9.2569 11.9169 12.1689 12.5618 12.7785 k = 0.5859-0.1398 0.4082 ( 6311 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6096 -17.6079 -17.5242 -17.5197 -17.4340 -17.4306 -17.4280 -17.4200 -17.3358 -17.3325 -17.3308 -17.3293 -10.3966 -10.3966 -10.3956 -10.3954 -7.8509 -7.8503 -7.8375 -7.8366 -7.8346 -7.8339 -1.8740 -1.8086 -1.6930 -1.6816 -1.3149 -1.1832 -1.0176 -1.0038 -0.9969 -0.9833 -0.2510 -0.2006 3.0888 3.2376 4.8979 5.2305 5.9699 6.0574 7.7247 7.7692 8.8615 9.0835 12.0185 12.2760 12.6831 12.9003 k = 0.5781-0.1534 0.4082 ( 6311 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6095 -17.6080 -17.5241 -17.5199 -17.4339 -17.4304 -17.4280 -17.4203 -17.3356 -17.3323 -17.3310 -17.3294 -10.3967 -10.3967 -10.3955 -10.3953 -7.8509 -7.8504 -7.8374 -7.8366 -7.8345 -7.8339 -1.8720 -1.8113 -1.6928 -1.6822 -1.3092 -1.1871 -1.0171 -1.0035 -0.9965 -0.9833 -0.2501 -0.2033 3.0847 3.2190 4.9740 5.2930 5.9506 6.0407 7.6957 7.7452 8.7017 8.9161 12.1208 12.3798 12.8070 13.0230 k = 0.5703-0.1669 0.4082 ( 6317 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6094 -17.6080 -17.5239 -17.5201 -17.4337 -17.4303 -17.4280 -17.4206 -17.3354 -17.3322 -17.3312 -17.3295 -10.3967 -10.3967 -10.3955 -10.3954 -7.8510 -7.8505 -7.8374 -7.8367 -7.8344 -7.8339 -1.8698 -1.8142 -1.6926 -1.6829 -1.3031 -1.1914 -1.0166 -1.0037 -0.9958 -0.9834 -0.2495 -0.2066 3.0811 3.2010 5.0521 5.3564 5.9359 6.0281 7.6670 7.7214 8.5487 8.7560 12.2228 12.4792 12.9333 13.1460 k = 0.5625-0.1804 0.4082 ( 6318 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6094 -17.6081 -17.5238 -17.5203 -17.4336 -17.4303 -17.4278 -17.4210 -17.3353 -17.3321 -17.3314 -17.3296 -10.3967 -10.3967 -10.3955 -10.3953 -7.8510 -7.8506 -7.8374 -7.8368 -7.8343 -7.8338 -1.8674 -1.8172 -1.6924 -1.6836 -1.2968 -1.1960 -1.0161 -1.0042 -0.9948 -0.9835 -0.2490 -0.2102 3.0782 3.1839 5.1308 5.4182 5.9273 6.0199 7.6384 7.6970 8.4049 8.6047 12.3236 12.5726 13.0617 13.2686 k = 0.5547-0.1940 0.4082 ( 6334 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6093 -17.6082 -17.5236 -17.5206 -17.4334 -17.4304 -17.4276 -17.4214 -17.3351 -17.3321 -17.3316 -17.3298 -10.3968 -10.3968 -10.3955 -10.3954 -7.8511 -7.8507 -7.8375 -7.8369 -7.8342 -7.8338 -1.8648 -1.8203 -1.6921 -1.6844 -1.2904 -1.2009 -1.0155 -1.0049 -0.9937 -0.9837 -0.2486 -0.2141 3.0761 3.1678 5.2082 5.4751 5.9264 6.0166 7.6092 7.6708 8.2731 8.4637 12.4219 12.6587 13.1916 13.3899 k = 0.5469-0.2075 0.4082 ( 6330 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6093 -17.6083 -17.5234 -17.5208 -17.4332 -17.4306 -17.4272 -17.4218 -17.3349 -17.3321 -17.3315 -17.3299 -10.3968 -10.3968 -10.3955 -10.3954 -7.8511 -7.8508 -7.8374 -7.8369 -7.8341 -7.8338 -1.8622 -1.8235 -1.6918 -1.6851 -1.2838 -1.2062 -1.0149 -1.0057 -0.9925 -0.9839 -0.2480 -0.2181 3.0748 3.1528 5.2823 5.5232 5.9351 6.0187 7.5792 7.6410 8.1570 8.3351 12.5164 12.7355 13.3223 13.5086 k = 0.5391-0.2210 0.4082 ( 6330 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6092 -17.6083 -17.5232 -17.5210 -17.4330 -17.4308 -17.4268 -17.4222 -17.3347 -17.3323 -17.3314 -17.3300 -10.3968 -10.3968 -10.3955 -10.3954 -7.8511 -7.8508 -7.8374 -7.8370 -7.8340 -7.8337 -1.8593 -1.8268 -1.6914 -1.6858 -1.2770 -1.2117 -1.0143 -1.0065 -0.9914 -0.9842 -0.2473 -0.2221 3.0745 3.1390 5.3509 5.5591 5.9544 6.0260 7.5481 7.6060 8.0610 8.2211 12.6055 12.8012 13.4521 13.6225 k = 0.5312-0.2345 0.4082 ( 6326 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6091 -17.6084 -17.5230 -17.5212 -17.4328 -17.4310 -17.4263 -17.4226 -17.3344 -17.3325 -17.3313 -17.3301 -10.3968 -10.3968 -10.3954 -10.3954 -7.8511 -7.8509 -7.8374 -7.8371 -7.8340 -7.8337 -1.8564 -1.8301 -1.6910 -1.6865 -1.2702 -1.2175 -1.0136 -1.0074 -0.9903 -0.9845 -0.2464 -0.2260 3.0753 3.1265 5.4121 5.5815 5.9825 6.0380 7.5162 7.5653 7.9887 8.1239 12.6875 12.8538 13.5789 13.7287 k = 0.5234-0.2481 0.4082 ( 6330 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6090 -17.6085 -17.5228 -17.5214 -17.4326 -17.4312 -17.4259 -17.4231 -17.3342 -17.3327 -17.3312 -17.3303 -10.3968 -10.3968 -10.3954 -10.3954 -7.8511 -7.8509 -7.8374 -7.8371 -7.8339 -7.8337 -1.8533 -1.8334 -1.6906 -1.6872 -1.2633 -1.2236 -1.0129 -1.0082 -0.9893 -0.9850 -0.2451 -0.2297 3.0771 3.1154 5.4643 5.5914 6.0147 6.0529 7.4855 7.5218 7.9407 8.0450 12.7602 12.8914 13.6989 13.8221 k = 0.5156-0.2616 0.4082 ( 6342 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6090 -17.6086 -17.5226 -17.5217 -17.4324 -17.4315 -17.4255 -17.4236 -17.3340 -17.3330 -17.3310 -17.3304 -10.3969 -10.3969 -10.3955 -10.3954 -7.8511 -7.8510 -7.8374 -7.8372 -7.8339 -7.8338 -1.8501 -1.8368 -1.6901 -1.6878 -1.2565 -1.2298 -1.0122 -1.0090 -0.9884 -0.9855 -0.2435 -0.2331 3.0802 3.1056 5.5070 5.5909 6.0446 6.0673 7.4592 7.4820 7.9148 7.9848 12.8214 12.9123 13.8055 13.8949 k = 0.5078-0.2751 0.4082 ( 6346 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6089 -17.6087 -17.5224 -17.5219 -17.4322 -17.4317 -17.4250 -17.4241 -17.3337 -17.3333 -17.3309 -17.3306 -10.3969 -10.3969 -10.3954 -10.3954 -7.8511 -7.8511 -7.8374 -7.8373 -7.8339 -7.8338 -1.8469 -1.8402 -1.6896 -1.6885 -1.2496 -1.2363 -1.0115 -1.0099 -0.9875 -0.9861 -0.2415 -0.2363 3.0846 3.0972 5.5403 5.5818 6.0667 6.0770 7.4422 7.4528 7.9076 7.9426 12.8690 12.9155 13.8885 13.9362 k = 0.5000-0.2887 0.4082 ( 6346 PWs) bands (ev): -45.5529 -45.5529 -45.4580 -45.4580 -17.6088 -17.6088 -17.5222 -17.5222 -17.4319 -17.4319 -17.4245 -17.4245 -17.3335 -17.3335 -17.3307 -17.3307 -10.3969 -10.3969 -10.3954 -10.3954 -7.8511 -7.8511 -7.8373 -7.8373 -7.8338 -7.8338 -1.8436 -1.8436 -1.6891 -1.6891 -1.2429 -1.2429 -1.0107 -1.0107 -0.9868 -0.9868 -0.2391 -0.2391 3.0902 3.0902 5.5650 5.5650 6.0776 6.0776 7.4393 7.4393 7.9171 7.9171 12.9008 12.9008 13.9350 13.9350 Writing output data file Na2CdPb.save init_run : 1.46s CPU 0.94s WALL ( 1 calls) electrons : 312.01s CPU 207.61s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.23s CPU 0.16s WALL ( 1 calls) Called by electrons: c_bands : 312.00s CPU 207.60s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.03s CPU 0.01s WALL ( 1 calls) newd : 0.35s CPU 0.24s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.48s CPU 0.47s WALL ( 291 calls) cegterg : 270.78s CPU 183.70s WALL ( 336 calls) Called by sum_band: Called by *egterg: h_psi : 221.50s CPU 132.62s WALL ( 5899 calls) s_psi : 6.54s CPU 4.63s WALL ( 5899 calls) g_psi : 0.35s CPU 0.28s WALL ( 5272 calls) cdiaghg : 52.06s CPU 44.87s WALL ( 5563 calls) cegterg:over : 9.76s CPU 7.62s WALL ( 5272 calls) cegterg:upda : 8.62s CPU 6.81s WALL ( 5272 calls) cegterg:last : 3.65s CPU 3.31s WALL ( 918 calls) cdiaghg:chol : 3.07s CPU 2.59s WALL ( 5563 calls) cdiaghg:inve : 1.90s CPU 1.62s WALL ( 5563 calls) cdiaghg:para : 2.81s CPU 2.56s WALL ( 11126 calls) Called by h_psi: h_psi:vloc : 207.62s CPU 123.09s WALL ( 5899 calls) h_psi:vnl : 13.40s CPU 9.24s WALL ( 5899 calls) add_vuspsi : 7.19s CPU 4.84s WALL ( 5899 calls) General routines calbec : 6.17s CPU 4.37s WALL ( 5899 calls) fft : 0.05s CPU 0.03s WALL ( 19 calls) ffts : 0.03s CPU 0.01s WALL ( 4 calls) fftw : 192.58s CPU 112.59s WALL ( 618488 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.25s CPU 1.24s WALL ( 582 calls) Parallel routines fft_scatter : 62.89s CPU 42.60s WALL ( 618511 calls) PWSCF : 5m32.54s CPU 4m 1.03s WALL This run was terminated on: 15:46:38 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=