Program PWSCF v.5.4.0 starts on 21Mar2017 at 8:29:40 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 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./BW.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 55 32 9 940 428 71 Max 56 33 10 942 442 74 Sum 3963 2371 715 67743 31365 5265 bravais-lattice index = 14 lattice parameter (alat) = 16.5292 a.u. unit-cell volume = 554.2932 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 68.00 number of Kohn-Sham states= 82 kinetic-energy cutoff = 56.0000 Ry charge density cutoff = 374.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 16.529199 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.936587 celldm(5)= -0.936587 celldm(6)= 0.873173 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.873173 0.487410 0.000000 ) a(3) = ( -0.936587 -0.243705 0.251820 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.791457 1.985546 ) b(2) = ( 0.000000 2.051662 1.985546 ) b(3) = ( 0.000000 0.000000 3.971092 ) PseudoPot. # 1 for W read from file: /users/gautes/Pseudo/W.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 434a31466ac5fb6822520d5f43d3a35f 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 1273 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 B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential W 14.00 183.84000 W( 1.00) B 3.00 10.81100 B( 1.00) 4 Sym. Ops., with inversion, found ( 3 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 1 1 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0634133 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.2437048 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( -1 -1 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.4365867 ) ( 0.0000000 1.0000000 0.0000000 ) ( -0.2437048 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 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 C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 406 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 2) = ( 0.0000000 0.0000000 0.0275770), wk = 0.0024631 k( 3) = ( 0.0000000 0.0000000 0.0551541), wk = 0.0024631 k( 4) = ( 0.0000000 0.0000000 0.0827311), wk = 0.0024631 k( 5) = ( 0.0000000 0.0000000 0.1103081), wk = 0.0024631 k( 6) = ( 0.0000000 0.0000000 0.1378851), wk = 0.0024631 k( 7) = ( 0.0000000 0.0000000 0.1654622), wk = 0.0024631 k( 8) = ( 0.0000000 0.0000000 0.1930392), wk = 0.0024631 k( 9) = ( 0.0000000 0.0000000 0.2206162), wk = 0.0024631 k( 10) = ( 0.0000000 0.0000000 0.2481932), wk = 0.0024631 k( 11) = ( 0.0000000 0.0000000 0.2757702), wk = 0.0024631 k( 12) = ( 0.0000000 0.0000000 0.3033473), wk = 0.0024631 k( 13) = ( 0.0000000 0.0000000 0.3309243), wk = 0.0024631 k( 14) = ( 0.0000000 0.0000000 0.3585013), wk = 0.0024631 k( 15) = ( 0.0000000 0.0000000 0.3860783), wk = 0.0024631 k( 16) = ( 0.0000000 0.0000000 0.4136554), wk = 0.0024631 k( 17) = ( 0.0000000 0.0000000 0.4412324), wk = 0.0024631 k( 18) = ( 0.0000000 0.0000000 0.4688094), wk = 0.0024631 k( 19) = ( 0.0000000 0.0000000 0.4963865), wk = 0.0024631 k( 20) = ( 0.0000000 0.0000000 0.5239635), wk = 0.0024631 k( 21) = ( 0.0000000 0.0000000 0.5515405), wk = 0.0024631 k( 22) = ( 0.0000000 0.0000000 0.5791175), wk = 0.0024631 k( 23) = ( 0.0000000 0.0000000 0.6066946), wk = 0.0024631 k( 24) = ( 0.0000000 0.0000000 0.6342716), wk = 0.0024631 k( 25) = ( 0.0000000 0.0000000 0.6618486), wk = 0.0024631 k( 26) = ( 0.0000000 0.0000000 0.6894256), wk = 0.0024631 k( 27) = ( 0.0000000 0.0000000 0.7170027), wk = 0.0024631 k( 28) = ( 0.0000000 0.0000000 0.7445797), wk = 0.0024631 k( 29) = ( 0.0000000 0.0000000 0.7721567), wk = 0.0024631 k( 30) = ( 0.0000000 0.0000000 0.7997337), wk = 0.0024631 k( 31) = ( 0.0000000 0.0000000 0.8273107), wk = 0.0024631 k( 32) = ( 0.0000000 0.0000000 0.8548878), wk = 0.0024631 k( 33) = ( 0.0000000 0.0000000 0.8824648), wk = 0.0024631 k( 34) = ( 0.0000000 0.0000000 0.9100418), wk = 0.0024631 k( 35) = ( 0.0000000 0.0000000 0.9376189), wk = 0.0024631 k( 36) = ( 0.0000000 0.0000000 0.9651959), wk = 0.0024631 k( 37) = ( 0.0000000 0.0000000 0.9927729), wk = 0.0024631 k( 38) = ( 0.0000000 0.0000000 1.0203499), wk = 0.0024631 k( 39) = ( 0.0000000 0.0000000 1.0479270), wk = 0.0024631 k( 40) = ( 0.0000000 0.0000000 1.0755040), wk = 0.0024631 k( 41) = ( 0.0000000 0.0000000 1.1030810), wk = 0.0024631 k( 42) = ( 0.0000000 0.0000000 1.1306580), wk = 0.0024631 k( 43) = ( 0.0000000 0.0000000 1.1582351), wk = 0.0024631 k( 44) = ( 0.0000000 0.0000000 1.1858121), wk = 0.0024631 k( 45) = ( 0.0000000 0.0000000 1.2133891), wk = 0.0024631 k( 46) = ( 0.0000000 0.0000000 1.2409661), wk = 0.0024631 k( 47) = ( 0.0000000 0.0000000 1.2685431), wk = 0.0024631 k( 48) = ( 0.0000000 0.0000000 1.2961202), wk = 0.0024631 k( 49) = ( 0.0000000 0.0000000 1.3236972), wk = 0.0024631 k( 50) = ( 0.0000000 0.0000000 1.3512743), wk = 0.0024631 k( 51) = ( 0.0000000 0.0000000 1.3788513), wk = 0.0024631 k( 52) = ( 0.0000000 0.0000000 1.4064283), wk = 0.0024631 k( 53) = ( 0.0000000 0.0000000 1.4340053), wk = 0.0024631 k( 54) = ( 0.0000000 0.0000000 1.4615824), wk = 0.0024631 k( 55) = ( 0.0000000 0.0000000 1.4891594), wk = 0.0024631 k( 56) = ( 0.0000000 0.0000000 1.5167364), wk = 0.0024631 k( 57) = ( 0.0000000 0.0000000 1.5443134), wk = 0.0024631 k( 58) = ( 0.0000000 0.0000000 1.5718904), wk = 0.0024631 k( 59) = ( 0.0000000 0.0000000 1.5994675), wk = 0.0024631 k( 60) = ( 0.0000000 0.0000000 1.6270445), wk = 0.0024631 k( 61) = ( 0.0000000 0.0000000 1.6546215), wk = 0.0024631 k( 62) = ( 0.0000000 0.0000000 1.6821985), wk = 0.0024631 k( 63) = ( 0.0000000 0.0000000 1.7097756), wk = 0.0024631 k( 64) = ( 0.0000000 0.0000000 1.7373526), wk = 0.0024631 k( 65) = ( 0.0000000 0.0000000 1.7649296), wk = 0.0024631 k( 66) = ( 0.0000000 0.0000000 1.7925067), wk = 0.0024631 k( 67) = ( 0.0000000 0.0000000 1.8200837), wk = 0.0024631 k( 68) = ( 0.0000000 0.0000000 1.8476607), wk = 0.0024631 k( 69) = ( 0.0000000 0.0000000 1.8752377), wk = 0.0024631 k( 70) = ( 0.0000000 0.0000000 1.9028148), wk = 0.0024631 k( 71) = ( 0.0000000 0.0000000 1.9303918), wk = 0.0024631 k( 72) = ( 0.0000000 0.0000000 1.9579688), wk = 0.0024631 k( 73) = ( 0.0000000 0.0000000 1.9855458), wk = 0.0024631 k( 74) = ( 0.0000000 0.0000000 1.9855458), wk = 0.0024631 k( 75) = ( -0.0056422 0.0216838 1.9855458), wk = 0.0024631 k( 76) = ( -0.0112845 0.0433675 1.9855458), wk = 0.0024631 k( 77) = ( -0.0169267 0.0650513 1.9855458), wk = 0.0024631 k( 78) = ( -0.0169267 0.0650513 1.9855458), wk = 0.0024631 k( 79) = ( -0.0218560 0.0839953 1.9659710), wk = 0.0024631 k( 80) = ( -0.0267853 0.1029392 1.9463963), wk = 0.0024631 k( 81) = ( -0.0317146 0.1218832 1.9268215), wk = 0.0024631 k( 82) = ( -0.0366440 0.1408272 1.9072467), wk = 0.0024631 k( 83) = ( -0.0415733 0.1597711 1.8876719), wk = 0.0024631 k( 84) = ( -0.0465026 0.1787151 1.8680971), wk = 0.0024631 k( 85) = ( -0.0514319 0.1976591 1.8485224), wk = 0.0024631 k( 86) = ( -0.0563613 0.2166030 1.8289476), wk = 0.0024631 k( 87) = ( -0.0612906 0.2355470 1.8093728), wk = 0.0024631 k( 88) = ( -0.0662199 0.2544910 1.7897980), wk = 0.0024631 k( 89) = ( -0.0711492 0.2734349 1.7702233), wk = 0.0024631 k( 90) = ( -0.0760785 0.2923789 1.7506485), wk = 0.0024631 k( 91) = ( -0.0810079 0.3113229 1.7310737), wk = 0.0024631 k( 92) = ( -0.0859372 0.3302668 1.7114989), wk = 0.0024631 k( 93) = ( -0.0908665 0.3492108 1.6919241), wk = 0.0024631 k( 94) = ( -0.0957958 0.3681548 1.6723494), wk = 0.0024631 k( 95) = ( -0.1007251 0.3870987 1.6527746), wk = 0.0024631 k( 96) = ( -0.1056544 0.4060427 1.6331998), wk = 0.0024631 k( 97) = ( -0.1105838 0.4249867 1.6136250), wk = 0.0024631 k( 98) = ( -0.1155131 0.4439306 1.5940502), wk = 0.0024631 k( 99) = ( -0.1204424 0.4628746 1.5744755), wk = 0.0024631 k( 100) = ( -0.1253717 0.4818185 1.5549007), wk = 0.0024631 k( 101) = ( -0.1303010 0.5007625 1.5353259), wk = 0.0024631 k( 102) = ( -0.1352304 0.5197065 1.5157511), wk = 0.0024631 k( 103) = ( -0.1401597 0.5386504 1.4961763), wk = 0.0024631 k( 104) = ( -0.1450890 0.5575944 1.4766015), wk = 0.0024631 k( 105) = ( -0.1500183 0.5765384 1.4570268), wk = 0.0024631 k( 106) = ( -0.1549476 0.5954823 1.4374520), wk = 0.0024631 k( 107) = ( -0.1598770 0.6144263 1.4178772), wk = 0.0024631 k( 108) = ( -0.1648063 0.6333703 1.3983025), wk = 0.0024631 k( 109) = ( -0.1697356 0.6523142 1.3787277), wk = 0.0024631 k( 110) = ( -0.1746649 0.6712582 1.3591529), wk = 0.0024631 k( 111) = ( -0.1795942 0.6902022 1.3395781), wk = 0.0024631 k( 112) = ( -0.1845236 0.7091461 1.3200033), wk = 0.0024631 k( 113) = ( -0.1894529 0.7280901 1.3004286), wk = 0.0024631 k( 114) = ( -0.1943822 0.7470341 1.2808538), wk = 0.0024631 k( 115) = ( -0.1993115 0.7659780 1.2612790), wk = 0.0024631 k( 116) = ( -0.2042408 0.7849220 1.2417042), wk = 0.0024631 k( 117) = ( -0.2091701 0.8038659 1.2221294), wk = 0.0024631 k( 118) = ( -0.2140995 0.8228099 1.2025546), wk = 0.0024631 k( 119) = ( -0.2190288 0.8417539 1.1829799), wk = 0.0024631 k( 120) = ( -0.2239581 0.8606978 1.1634051), wk = 0.0024631 k( 121) = ( -0.2288874 0.8796418 1.1438303), wk = 0.0024631 k( 122) = ( -0.2338167 0.8985858 1.1242556), wk = 0.0024631 k( 123) = ( -0.2387461 0.9175297 1.1046808), wk = 0.0024631 k( 124) = ( -0.2436754 0.9364737 1.0851060), wk = 0.0024631 k( 125) = ( -0.2486047 0.9554177 1.0655312), wk = 0.0024631 k( 126) = ( -0.2535340 0.9743616 1.0459564), wk = 0.0024631 k( 127) = ( -0.2584633 0.9933056 1.0263817), wk = 0.0024631 k( 128) = ( -0.2584633 0.9933056 1.0263817), wk = 0.0024631 k( 129) = ( -0.2535867 0.9745640 1.0070159), wk = 0.0024631 k( 130) = ( -0.2487100 0.9558223 0.9876502), wk = 0.0024631 k( 131) = ( -0.2438334 0.9370807 0.9682846), wk = 0.0024631 k( 132) = ( -0.2389567 0.9183391 0.9489189), wk = 0.0024631 k( 133) = ( -0.2340800 0.8995975 0.9295532), wk = 0.0024631 k( 134) = ( -0.2292034 0.8808559 0.9101875), wk = 0.0024631 k( 135) = ( -0.2243267 0.8621143 0.8908218), wk = 0.0024631 k( 136) = ( -0.2194500 0.8433727 0.8714561), wk = 0.0024631 k( 137) = ( -0.2145733 0.8246311 0.8520904), wk = 0.0024631 k( 138) = ( -0.2096967 0.8058894 0.8327247), wk = 0.0024631 k( 139) = ( -0.2048200 0.7871478 0.8133590), wk = 0.0024631 k( 140) = ( -0.1999433 0.7684062 0.7939933), wk = 0.0024631 k( 141) = ( -0.1950667 0.7496646 0.7746277), wk = 0.0024631 k( 142) = ( -0.1901900 0.7309230 0.7552620), wk = 0.0024631 k( 143) = ( -0.1853133 0.7121813 0.7358963), wk = 0.0024631 k( 144) = ( -0.1804367 0.6934398 0.7165306), wk = 0.0024631 k( 145) = ( -0.1755600 0.6746981 0.6971649), wk = 0.0024631 k( 146) = ( -0.1706833 0.6559565 0.6777992), wk = 0.0024631 k( 147) = ( -0.1658067 0.6372149 0.6584335), wk = 0.0024631 k( 148) = ( -0.1609300 0.6184733 0.6390678), wk = 0.0024631 k( 149) = ( -0.1560533 0.5997317 0.6197021), wk = 0.0024631 k( 150) = ( -0.1511767 0.5809901 0.6003365), wk = 0.0024631 k( 151) = ( -0.1463000 0.5622484 0.5809707), wk = 0.0024631 k( 152) = ( -0.1414233 0.5435068 0.5616050), wk = 0.0024631 k( 153) = ( -0.1365467 0.5247652 0.5422393), wk = 0.0024631 k( 154) = ( -0.1316700 0.5060236 0.5228737), wk = 0.0024631 k( 155) = ( -0.1267933 0.4872820 0.5035080), wk = 0.0024631 k( 156) = ( -0.1219167 0.4685404 0.4841423), wk = 0.0024631 k( 157) = ( -0.1170400 0.4497988 0.4647766), wk = 0.0024631 k( 158) = ( -0.1121633 0.4310571 0.4454109), wk = 0.0024631 k( 159) = ( -0.1072867 0.4123155 0.4260452), wk = 0.0024631 k( 160) = ( -0.1024100 0.3935739 0.4066795), wk = 0.0024631 k( 161) = ( -0.0975333 0.3748323 0.3873138), wk = 0.0024631 k( 162) = ( -0.0926567 0.3560907 0.3679481), wk = 0.0024631 k( 163) = ( -0.0877800 0.3373490 0.3485824), wk = 0.0024631 k( 164) = ( -0.0829033 0.3186075 0.3292168), wk = 0.0024631 k( 165) = ( -0.0780267 0.2998658 0.3098511), wk = 0.0024631 k( 166) = ( -0.0731500 0.2811242 0.2904854), wk = 0.0024631 k( 167) = ( -0.0682733 0.2623826 0.2711197), wk = 0.0024631 k( 168) = ( -0.0633967 0.2436410 0.2517540), wk = 0.0024631 k( 169) = ( -0.0585200 0.2248994 0.2323883), wk = 0.0024631 k( 170) = ( -0.0536433 0.2061578 0.2130226), wk = 0.0024631 k( 171) = ( -0.0487667 0.1874161 0.1936569), wk = 0.0024631 k( 172) = ( -0.0438900 0.1686745 0.1742912), wk = 0.0024631 k( 173) = ( -0.0390133 0.1499329 0.1549255), wk = 0.0024631 k( 174) = ( -0.0341367 0.1311913 0.1355598), wk = 0.0024631 k( 175) = ( -0.0292600 0.1124497 0.1161941), wk = 0.0024631 k( 176) = ( -0.0243833 0.0937081 0.0968284), wk = 0.0024631 k( 177) = ( -0.0195067 0.0749665 0.0774628), wk = 0.0024631 k( 178) = ( -0.0146300 0.0562248 0.0580971), wk = 0.0024631 k( 179) = ( -0.0097533 0.0374832 0.0387314), wk = 0.0024631 k( 180) = ( -0.0048767 0.0187416 0.0193657), wk = 0.0024631 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 182) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 183) = ( 0.0263158 0.0068475 0.0000000), wk = 0.0024631 k( 184) = ( 0.0526316 0.0136950 0.0000000), wk = 0.0024631 k( 185) = ( 0.0789474 0.0205425 0.0000000), wk = 0.0024631 k( 186) = ( 0.1052632 0.0273900 0.0000000), wk = 0.0024631 k( 187) = ( 0.1315790 0.0342375 0.0000000), wk = 0.0024631 k( 188) = ( 0.1578947 0.0410850 0.0000000), wk = 0.0024631 k( 189) = ( 0.1842105 0.0479326 0.0000000), wk = 0.0024631 k( 190) = ( 0.2105263 0.0547801 0.0000000), wk = 0.0024631 k( 191) = ( 0.2368421 0.0616276 0.0000000), wk = 0.0024631 k( 192) = ( 0.2631579 0.0684751 0.0000000), wk = 0.0024631 k( 193) = ( 0.2894737 0.0753226 0.0000000), wk = 0.0024631 k( 194) = ( 0.3157895 0.0821701 0.0000000), wk = 0.0024631 k( 195) = ( 0.3421053 0.0890176 0.0000000), wk = 0.0024631 k( 196) = ( 0.3684211 0.0958651 0.0000000), wk = 0.0024631 k( 197) = ( 0.3947368 0.1027126 0.0000000), wk = 0.0024631 k( 198) = ( 0.4210526 0.1095601 0.0000000), wk = 0.0024631 k( 199) = ( 0.4473684 0.1164076 0.0000000), wk = 0.0024631 k( 200) = ( 0.4736842 0.1232551 0.0000000), wk = 0.0024631 k( 201) = ( 0.5000000 0.1301026 0.0000000), wk = 0.0024631 k( 202) = ( 0.5000000 0.1301026 0.0000000), wk = 0.0024631 k( 203) = ( 0.4950707 0.1490466 0.0195748), wk = 0.0024631 k( 204) = ( 0.4901414 0.1679906 0.0391496), wk = 0.0024631 k( 205) = ( 0.4852120 0.1869345 0.0587243), wk = 0.0024631 k( 206) = ( 0.4802827 0.2058785 0.0782991), wk = 0.0024631 k( 207) = ( 0.4753534 0.2248225 0.0978739), wk = 0.0024631 k( 208) = ( 0.4704241 0.2437664 0.1174487), wk = 0.0024631 k( 209) = ( 0.4654948 0.2627104 0.1370235), wk = 0.0024631 k( 210) = ( 0.4605654 0.2816544 0.1565983), wk = 0.0024631 k( 211) = ( 0.4556361 0.3005983 0.1761730), wk = 0.0024631 k( 212) = ( 0.4507068 0.3195423 0.1957478), wk = 0.0024631 k( 213) = ( 0.4457775 0.3384862 0.2153226), wk = 0.0024631 k( 214) = ( 0.4408482 0.3574302 0.2348973), wk = 0.0024631 k( 215) = ( 0.4359189 0.3763742 0.2544721), wk = 0.0024631 k( 216) = ( 0.4309895 0.3953181 0.2740469), wk = 0.0024631 k( 217) = ( 0.4260602 0.4142621 0.2936217), wk = 0.0024631 k( 218) = ( 0.4211309 0.4332061 0.3131965), wk = 0.0024631 k( 219) = ( 0.4162016 0.4521500 0.3327712), wk = 0.0024631 k( 220) = ( 0.4112723 0.4710940 0.3523460), wk = 0.0024631 k( 221) = ( 0.4063429 0.4900380 0.3719208), wk = 0.0024631 k( 222) = ( 0.4014136 0.5089819 0.3914956), wk = 0.0024631 k( 223) = ( 0.3964843 0.5279259 0.4110704), wk = 0.0024631 k( 224) = ( 0.3915550 0.5468699 0.4306452), wk = 0.0024631 k( 225) = ( 0.3866256 0.5658138 0.4502199), wk = 0.0024631 k( 226) = ( 0.3816963 0.5847578 0.4697947), wk = 0.0024631 k( 227) = ( 0.3767670 0.6037018 0.4893695), wk = 0.0024631 k( 228) = ( 0.3718377 0.6226457 0.5089443), wk = 0.0024631 k( 229) = ( 0.3669084 0.6415897 0.5285190), wk = 0.0024631 k( 230) = ( 0.3619791 0.6605336 0.5480938), wk = 0.0024631 k( 231) = ( 0.3570497 0.6794776 0.5676686), wk = 0.0024631 k( 232) = ( 0.3521204 0.6984216 0.5872434), wk = 0.0024631 k( 233) = ( 0.3471911 0.7173655 0.6068181), wk = 0.0024631 k( 234) = ( 0.3422618 0.7363095 0.6263929), wk = 0.0024631 k( 235) = ( 0.3373325 0.7552535 0.6459677), wk = 0.0024631 k( 236) = ( 0.3324031 0.7741974 0.6655425), wk = 0.0024631 k( 237) = ( 0.3274738 0.7931414 0.6851173), wk = 0.0024631 k( 238) = ( 0.3225445 0.8120854 0.7046921), wk = 0.0024631 k( 239) = ( 0.3176152 0.8310293 0.7242668), wk = 0.0024631 k( 240) = ( 0.3126859 0.8499733 0.7438416), wk = 0.0024631 k( 241) = ( 0.3077565 0.8689173 0.7634164), wk = 0.0024631 k( 242) = ( 0.3028272 0.8878612 0.7829912), wk = 0.0024631 k( 243) = ( 0.2978979 0.9068052 0.8025660), wk = 0.0024631 k( 244) = ( 0.2929686 0.9257492 0.8221407), wk = 0.0024631 k( 245) = ( 0.2880393 0.9446931 0.8417155), wk = 0.0024631 k( 246) = ( 0.2831099 0.9636371 0.8612903), wk = 0.0024631 k( 247) = ( 0.2781806 0.9825810 0.8808650), wk = 0.0024631 k( 248) = ( 0.2732513 1.0015250 0.9004398), wk = 0.0024631 k( 249) = ( 0.2683220 1.0204690 0.9200146), wk = 0.0024631 k( 250) = ( 0.2633927 1.0394129 0.9395894), wk = 0.0024631 k( 251) = ( 0.2584633 1.0583569 0.9591642), wk = 0.0024631 k( 252) = ( 0.2584633 1.0583569 0.9591642), wk = 0.0024631 k( 253) = ( 0.2326170 1.0551043 0.9625251), wk = 0.0024631 k( 254) = ( 0.2067707 1.0518518 0.9658859), wk = 0.0024631 k( 255) = ( 0.1809243 1.0485992 0.9692468), wk = 0.0024631 k( 256) = ( 0.1550780 1.0453466 0.9726077), wk = 0.0024631 k( 257) = ( 0.1292317 1.0420941 0.9759686), wk = 0.0024631 k( 258) = ( 0.1033853 1.0388415 0.9793294), wk = 0.0024631 k( 259) = ( 0.0775390 1.0355890 0.9826903), wk = 0.0024631 k( 260) = ( 0.0516927 1.0323364 0.9860512), wk = 0.0024631 k( 261) = ( 0.0258463 1.0290838 0.9894121), wk = 0.0024631 k( 262) = ( 0.0000000 1.0258312 0.9927729), wk = 0.0024631 k( 263) = ( 0.0000000 1.0258312 0.9927729), wk = 0.0024631 k( 264) = ( 0.0049020 1.0069924 1.0122390), wk = 0.0024631 k( 265) = ( 0.0098039 0.9881536 1.0317052), wk = 0.0024631 k( 266) = ( 0.0147059 0.9693148 1.0511713), wk = 0.0024631 k( 267) = ( 0.0196078 0.9504760 1.0706374), wk = 0.0024631 k( 268) = ( 0.0245098 0.9316371 1.0901036), wk = 0.0024631 k( 269) = ( 0.0294118 0.9127983 1.1095697), wk = 0.0024631 k( 270) = ( 0.0343137 0.8939595 1.1290359), wk = 0.0024631 k( 271) = ( 0.0392157 0.8751206 1.1485020), wk = 0.0024631 k( 272) = ( 0.0441177 0.8562818 1.1679681), wk = 0.0024631 k( 273) = ( 0.0490196 0.8374430 1.1874343), wk = 0.0024631 k( 274) = ( 0.0539216 0.8186042 1.2069004), wk = 0.0024631 k( 275) = ( 0.0588235 0.7997654 1.2263665), wk = 0.0024631 k( 276) = ( 0.0637255 0.7809266 1.2458327), wk = 0.0024631 k( 277) = ( 0.0686275 0.7620877 1.2652988), wk = 0.0024631 k( 278) = ( 0.0735294 0.7432489 1.2847649), wk = 0.0024631 k( 279) = ( 0.0784314 0.7244101 1.3042311), wk = 0.0024631 k( 280) = ( 0.0833333 0.7055713 1.3236972), wk = 0.0024631 k( 281) = ( 0.0882353 0.6867325 1.3431633), wk = 0.0024631 k( 282) = ( 0.0931373 0.6678936 1.3626295), wk = 0.0024631 k( 283) = ( 0.0980392 0.6490548 1.3820956), wk = 0.0024631 k( 284) = ( 0.1029412 0.6302160 1.4015618), wk = 0.0024631 k( 285) = ( 0.1078431 0.6113771 1.4210279), wk = 0.0024631 k( 286) = ( 0.1127451 0.5925383 1.4404940), wk = 0.0024631 k( 287) = ( 0.1176471 0.5736995 1.4599602), wk = 0.0024631 k( 288) = ( 0.1225490 0.5548607 1.4794263), wk = 0.0024631 k( 289) = ( 0.1274510 0.5360219 1.4988924), wk = 0.0024631 k( 290) = ( 0.1323529 0.5171830 1.5183586), wk = 0.0024631 k( 291) = ( 0.1372549 0.4983442 1.5378247), wk = 0.0024631 k( 292) = ( 0.1421569 0.4795054 1.5572908), wk = 0.0024631 k( 293) = ( 0.1470588 0.4606666 1.5767570), wk = 0.0024631 k( 294) = ( 0.1519608 0.4418278 1.5962231), wk = 0.0024631 k( 295) = ( 0.1568627 0.4229889 1.6156893), wk = 0.0024631 k( 296) = ( 0.1617647 0.4041501 1.6351554), wk = 0.0024631 k( 297) = ( 0.1666667 0.3853113 1.6546215), wk = 0.0024631 k( 298) = ( 0.1715686 0.3664725 1.6740877), wk = 0.0024631 k( 299) = ( 0.1764706 0.3476336 1.6935538), wk = 0.0024631 k( 300) = ( 0.1813725 0.3287948 1.7130199), wk = 0.0024631 k( 301) = ( 0.1862745 0.3099560 1.7324861), wk = 0.0024631 k( 302) = ( 0.1911765 0.2911172 1.7519522), wk = 0.0024631 k( 303) = ( 0.1960784 0.2722784 1.7714183), wk = 0.0024631 k( 304) = ( 0.2009804 0.2534395 1.7908845), wk = 0.0024631 k( 305) = ( 0.2058823 0.2346007 1.8103506), wk = 0.0024631 k( 306) = ( 0.2107843 0.2157619 1.8298167), wk = 0.0024631 k( 307) = ( 0.2156863 0.1969231 1.8492829), wk = 0.0024631 k( 308) = ( 0.2205882 0.1780842 1.8687490), wk = 0.0024631 k( 309) = ( 0.2254902 0.1592454 1.8882152), wk = 0.0024631 k( 310) = ( 0.2303922 0.1404066 1.9076813), wk = 0.0024631 k( 311) = ( 0.2352941 0.1215678 1.9271474), wk = 0.0024631 k( 312) = ( 0.2401961 0.1027290 1.9466136), wk = 0.0024631 k( 313) = ( 0.2450980 0.0838901 1.9660797), wk = 0.0024631 k( 314) = ( 0.2500000 0.0650513 1.9855458), wk = 0.0024631 k( 315) = ( 0.2500000 0.0650513 1.9855458), wk = 0.0024631 k( 316) = ( 0.2750000 0.0715564 1.9788241), wk = 0.0024631 k( 317) = ( 0.3000000 0.0780616 1.9721023), wk = 0.0024631 k( 318) = ( 0.3250000 0.0845667 1.9653806), wk = 0.0024631 k( 319) = ( 0.3500000 0.0910718 1.9586588), wk = 0.0024631 k( 320) = ( 0.3750000 0.0975770 1.9519371), wk = 0.0024631 k( 321) = ( 0.4000000 0.1040821 1.9452153), wk = 0.0024631 k( 322) = ( 0.4250000 0.1105872 1.9384936), wk = 0.0024631 k( 323) = ( 0.4500000 0.1170924 1.9317718), wk = 0.0024631 k( 324) = ( 0.4750000 0.1235975 1.9250501), wk = 0.0024631 k( 325) = ( 0.5000000 0.1301026 1.9183283), wk = 0.0024631 k( 326) = ( 0.5000000 0.1301026 1.9183283), wk = 0.0024631 k( 327) = ( 0.5000000 0.1301026 1.8905265), wk = 0.0024631 k( 328) = ( 0.5000000 0.1301026 1.8627246), wk = 0.0024631 k( 329) = ( 0.5000000 0.1301026 1.8349228), wk = 0.0024631 k( 330) = ( 0.5000000 0.1301026 1.8071209), wk = 0.0024631 k( 331) = ( 0.5000000 0.1301026 1.7793191), wk = 0.0024631 k( 332) = ( 0.5000000 0.1301026 1.7515172), wk = 0.0024631 k( 333) = ( 0.5000000 0.1301026 1.7237154), wk = 0.0024631 k( 334) = ( 0.5000000 0.1301026 1.6959135), wk = 0.0024631 k( 335) = ( 0.5000000 0.1301026 1.6681116), wk = 0.0024631 k( 336) = ( 0.5000000 0.1301026 1.6403098), wk = 0.0024631 k( 337) = ( 0.5000000 0.1301026 1.6125079), wk = 0.0024631 k( 338) = ( 0.5000000 0.1301026 1.5847061), wk = 0.0024631 k( 339) = ( 0.5000000 0.1301026 1.5569042), wk = 0.0024631 k( 340) = ( 0.5000000 0.1301026 1.5291023), wk = 0.0024631 k( 341) = ( 0.5000000 0.1301026 1.5013005), wk = 0.0024631 k( 342) = ( 0.5000000 0.1301026 1.4734986), wk = 0.0024631 k( 343) = ( 0.5000000 0.1301026 1.4456967), wk = 0.0024631 k( 344) = ( 0.5000000 0.1301026 1.4178949), wk = 0.0024631 k( 345) = ( 0.5000000 0.1301026 1.3900930), wk = 0.0024631 k( 346) = ( 0.5000000 0.1301026 1.3622912), wk = 0.0024631 k( 347) = ( 0.5000000 0.1301026 1.3344893), wk = 0.0024631 k( 348) = ( 0.5000000 0.1301026 1.3066874), wk = 0.0024631 k( 349) = ( 0.5000000 0.1301026 1.2788856), wk = 0.0024631 k( 350) = ( 0.5000000 0.1301026 1.2510837), wk = 0.0024631 k( 351) = ( 0.5000000 0.1301026 1.2232818), wk = 0.0024631 k( 352) = ( 0.5000000 0.1301026 1.1954800), wk = 0.0024631 k( 353) = ( 0.5000000 0.1301026 1.1676781), wk = 0.0024631 k( 354) = ( 0.5000000 0.1301026 1.1398763), wk = 0.0024631 k( 355) = ( 0.5000000 0.1301026 1.1120744), wk = 0.0024631 k( 356) = ( 0.5000000 0.1301026 1.0842725), wk = 0.0024631 k( 357) = ( 0.5000000 0.1301026 1.0564707), wk = 0.0024631 k( 358) = ( 0.5000000 0.1301026 1.0286688), wk = 0.0024631 k( 359) = ( 0.5000000 0.1301026 1.0008670), wk = 0.0024631 k( 360) = ( 0.5000000 0.1301026 0.9730651), wk = 0.0024631 k( 361) = ( 0.5000000 0.1301026 0.9452632), wk = 0.0024631 k( 362) = ( 0.5000000 0.1301026 0.9174614), wk = 0.0024631 k( 363) = ( 0.5000000 0.1301026 0.8896595), wk = 0.0024631 k( 364) = ( 0.5000000 0.1301026 0.8618577), wk = 0.0024631 k( 365) = ( 0.5000000 0.1301026 0.8340558), wk = 0.0024631 k( 366) = ( 0.5000000 0.1301026 0.8062540), wk = 0.0024631 k( 367) = ( 0.5000000 0.1301026 0.7784521), wk = 0.0024631 k( 368) = ( 0.5000000 0.1301026 0.7506502), wk = 0.0024631 k( 369) = ( 0.5000000 0.1301026 0.7228484), wk = 0.0024631 k( 370) = ( 0.5000000 0.1301026 0.6950465), wk = 0.0024631 k( 371) = ( 0.5000000 0.1301026 0.6672447), wk = 0.0024631 k( 372) = ( 0.5000000 0.1301026 0.6394428), wk = 0.0024631 k( 373) = ( 0.5000000 0.1301026 0.6116409), wk = 0.0024631 k( 374) = ( 0.5000000 0.1301026 0.5838391), wk = 0.0024631 k( 375) = ( 0.5000000 0.1301026 0.5560372), wk = 0.0024631 k( 376) = ( 0.5000000 0.1301026 0.5282354), wk = 0.0024631 k( 377) = ( 0.5000000 0.1301026 0.5004335), wk = 0.0024631 k( 378) = ( 0.5000000 0.1301026 0.4726316), wk = 0.0024631 k( 379) = ( 0.5000000 0.1301026 0.4448298), wk = 0.0024631 k( 380) = ( 0.5000000 0.1301026 0.4170279), wk = 0.0024631 k( 381) = ( 0.5000000 0.1301026 0.3892260), wk = 0.0024631 k( 382) = ( 0.5000000 0.1301026 0.3614242), wk = 0.0024631 k( 383) = ( 0.5000000 0.1301026 0.3336223), wk = 0.0024631 k( 384) = ( 0.5000000 0.1301026 0.3058205), wk = 0.0024631 k( 385) = ( 0.5000000 0.1301026 0.2780186), wk = 0.0024631 k( 386) = ( 0.5000000 0.1301026 0.2502167), wk = 0.0024631 k( 387) = ( 0.5000000 0.1301026 0.2224149), wk = 0.0024631 k( 388) = ( 0.5000000 0.1301026 0.1946130), wk = 0.0024631 k( 389) = ( 0.5000000 0.1301026 0.1668111), wk = 0.0024631 k( 390) = ( 0.5000000 0.1301026 0.1390093), wk = 0.0024631 k( 391) = ( 0.5000000 0.1301026 0.1112074), wk = 0.0024631 k( 392) = ( 0.5000000 0.1301026 0.0834056), wk = 0.0024631 k( 393) = ( 0.5000000 0.1301026 0.0556037), wk = 0.0024631 k( 394) = ( 0.5000000 0.1301026 0.0278019), wk = 0.0024631 k( 395) = ( 0.5000000 0.1301026 0.0000000), wk = 0.0024631 k( 396) = ( 0.0000000 0.0000000 1.9855458), wk = 0.0024631 k( 397) = ( 0.0250000 0.0065051 1.9855458), wk = 0.0024631 k( 398) = ( 0.0500000 0.0130103 1.9855458), wk = 0.0024631 k( 399) = ( 0.0750000 0.0195154 1.9855458), wk = 0.0024631 k( 400) = ( 0.1000000 0.0260205 1.9855458), wk = 0.0024631 k( 401) = ( 0.1250000 0.0325257 1.9855458), wk = 0.0024631 k( 402) = ( 0.1500000 0.0390308 1.9855458), wk = 0.0024631 k( 403) = ( 0.1750000 0.0455359 1.9855458), wk = 0.0024631 k( 404) = ( 0.2000000 0.0520411 1.9855458), wk = 0.0024631 k( 405) = ( 0.2250000 0.0585462 1.9855458), wk = 0.0024631 k( 406) = ( 0.2500000 0.0650513 1.9855458), wk = 0.0024631 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 2) = ( 0.0000000 0.0000000 0.0069444), wk = 0.0024631 k( 3) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0024631 k( 4) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0024631 k( 5) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0024631 k( 6) = ( 0.0000000 0.0000000 0.0347222), wk = 0.0024631 k( 7) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0024631 k( 8) = ( 0.0000000 0.0000000 0.0486111), wk = 0.0024631 k( 9) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0024631 k( 10) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0024631 k( 11) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0024631 k( 12) = ( 0.0000000 0.0000000 0.0763889), wk = 0.0024631 k( 13) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0024631 k( 14) = ( 0.0000000 0.0000000 0.0902778), wk = 0.0024631 k( 15) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0024631 k( 16) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0024631 k( 17) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0024631 k( 18) = ( 0.0000000 0.0000000 0.1180556), wk = 0.0024631 k( 19) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0024631 k( 20) = ( 0.0000000 0.0000000 0.1319444), wk = 0.0024631 k( 21) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0024631 k( 22) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0024631 k( 23) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0024631 k( 24) = ( 0.0000000 0.0000000 0.1597222), wk = 0.0024631 k( 25) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0024631 k( 26) = ( 0.0000000 0.0000000 0.1736111), wk = 0.0024631 k( 27) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0024631 k( 28) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0024631 k( 29) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0024631 k( 30) = ( 0.0000000 0.0000000 0.2013889), wk = 0.0024631 k( 31) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0024631 k( 32) = ( 0.0000000 0.0000000 0.2152778), wk = 0.0024631 k( 33) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0024631 k( 34) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0024631 k( 35) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0024631 k( 36) = ( 0.0000000 0.0000000 0.2430556), wk = 0.0024631 k( 37) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0024631 k( 38) = ( 0.0000000 0.0000000 0.2569444), wk = 0.0024631 k( 39) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0024631 k( 40) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0024631 k( 41) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0024631 k( 42) = ( 0.0000000 0.0000000 0.2847222), wk = 0.0024631 k( 43) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0024631 k( 44) = ( 0.0000000 0.0000000 0.2986111), wk = 0.0024631 k( 45) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0024631 k( 46) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0024631 k( 47) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0024631 k( 48) = ( 0.0000000 0.0000000 0.3263889), wk = 0.0024631 k( 49) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0024631 k( 50) = ( 0.0000000 0.0000000 0.3402778), wk = 0.0024631 k( 51) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0024631 k( 52) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0024631 k( 53) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0024631 k( 54) = ( 0.0000000 0.0000000 0.3680556), wk = 0.0024631 k( 55) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0024631 k( 56) = ( 0.0000000 0.0000000 0.3819444), wk = 0.0024631 k( 57) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0024631 k( 58) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0024631 k( 59) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0024631 k( 60) = ( 0.0000000 0.0000000 0.4097222), wk = 0.0024631 k( 61) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0024631 k( 62) = ( 0.0000000 0.0000000 0.4236111), wk = 0.0024631 k( 63) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0024631 k( 64) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0024631 k( 65) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0024631 k( 66) = ( 0.0000000 0.0000000 0.4513889), wk = 0.0024631 k( 67) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0024631 k( 68) = ( 0.0000000 0.0000000 0.4652778), wk = 0.0024631 k( 69) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0024631 k( 70) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0024631 k( 71) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0024631 k( 72) = ( 0.0000000 0.0000000 0.4930556), wk = 0.0024631 k( 73) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024631 k( 74) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024631 k( 75) = ( -0.0056422 0.0056422 0.5000000), wk = 0.0024631 k( 76) = ( -0.0112845 0.0112845 0.5000000), wk = 0.0024631 k( 77) = ( -0.0169267 0.0169267 0.5000000), wk = 0.0024631 k( 78) = ( -0.0169267 0.0169267 0.5000000), wk = 0.0024631 k( 79) = ( -0.0218560 0.0218560 0.4950707), wk = 0.0024631 k( 80) = ( -0.0267853 0.0267853 0.4901414), wk = 0.0024631 k( 81) = ( -0.0317146 0.0317146 0.4852120), wk = 0.0024631 k( 82) = ( -0.0366440 0.0366440 0.4802827), wk = 0.0024631 k( 83) = ( -0.0415733 0.0415733 0.4753534), wk = 0.0024631 k( 84) = ( -0.0465026 0.0465026 0.4704241), wk = 0.0024631 k( 85) = ( -0.0514319 0.0514319 0.4654948), wk = 0.0024631 k( 86) = ( -0.0563613 0.0563613 0.4605654), wk = 0.0024631 k( 87) = ( -0.0612906 0.0612906 0.4556361), wk = 0.0024631 k( 88) = ( -0.0662199 0.0662199 0.4507068), wk = 0.0024631 k( 89) = ( -0.0711492 0.0711492 0.4457775), wk = 0.0024631 k( 90) = ( -0.0760785 0.0760785 0.4408482), wk = 0.0024631 k( 91) = ( -0.0810079 0.0810078 0.4359189), wk = 0.0024631 k( 92) = ( -0.0859372 0.0859372 0.4309895), wk = 0.0024631 k( 93) = ( -0.0908665 0.0908665 0.4260602), wk = 0.0024631 k( 94) = ( -0.0957958 0.0957958 0.4211309), wk = 0.0024631 k( 95) = ( -0.1007251 0.1007251 0.4162016), wk = 0.0024631 k( 96) = ( -0.1056544 0.1056544 0.4112723), wk = 0.0024631 k( 97) = ( -0.1105838 0.1105838 0.4063429), wk = 0.0024631 k( 98) = ( -0.1155131 0.1155131 0.4014136), wk = 0.0024631 k( 99) = ( -0.1204424 0.1204424 0.3964843), wk = 0.0024631 k( 100) = ( -0.1253717 0.1253717 0.3915550), wk = 0.0024631 k( 101) = ( -0.1303010 0.1303010 0.3866256), wk = 0.0024631 k( 102) = ( -0.1352304 0.1352304 0.3816963), wk = 0.0024631 k( 103) = ( -0.1401597 0.1401597 0.3767670), wk = 0.0024631 k( 104) = ( -0.1450890 0.1450890 0.3718377), wk = 0.0024631 k( 105) = ( -0.1500183 0.1500183 0.3669084), wk = 0.0024631 k( 106) = ( -0.1549476 0.1549476 0.3619791), wk = 0.0024631 k( 107) = ( -0.1598770 0.1598770 0.3570497), wk = 0.0024631 k( 108) = ( -0.1648063 0.1648063 0.3521204), wk = 0.0024631 k( 109) = ( -0.1697356 0.1697356 0.3471911), wk = 0.0024631 k( 110) = ( -0.1746649 0.1746649 0.3422618), wk = 0.0024631 k( 111) = ( -0.1795942 0.1795942 0.3373325), wk = 0.0024631 k( 112) = ( -0.1845236 0.1845236 0.3324031), wk = 0.0024631 k( 113) = ( -0.1894529 0.1894529 0.3274738), wk = 0.0024631 k( 114) = ( -0.1943822 0.1943822 0.3225445), wk = 0.0024631 k( 115) = ( -0.1993115 0.1993115 0.3176152), wk = 0.0024631 k( 116) = ( -0.2042408 0.2042408 0.3126859), wk = 0.0024631 k( 117) = ( -0.2091701 0.2091701 0.3077565), wk = 0.0024631 k( 118) = ( -0.2140995 0.2140995 0.3028272), wk = 0.0024631 k( 119) = ( -0.2190288 0.2190288 0.2978979), wk = 0.0024631 k( 120) = ( -0.2239581 0.2239581 0.2929686), wk = 0.0024631 k( 121) = ( -0.2288874 0.2288874 0.2880393), wk = 0.0024631 k( 122) = ( -0.2338167 0.2338168 0.2831099), wk = 0.0024631 k( 123) = ( -0.2387461 0.2387461 0.2781806), wk = 0.0024631 k( 124) = ( -0.2436754 0.2436754 0.2732513), wk = 0.0024631 k( 125) = ( -0.2486047 0.2486047 0.2683220), wk = 0.0024631 k( 126) = ( -0.2535340 0.2535340 0.2633927), wk = 0.0024631 k( 127) = ( -0.2584633 0.2584633 0.2584633), wk = 0.0024631 k( 128) = ( -0.2584633 0.2584633 0.2584633), wk = 0.0024631 k( 129) = ( -0.2535867 0.2535867 0.2535867), wk = 0.0024631 k( 130) = ( -0.2487100 0.2487100 0.2487100), wk = 0.0024631 k( 131) = ( -0.2438334 0.2438334 0.2438334), wk = 0.0024631 k( 132) = ( -0.2389567 0.2389567 0.2389567), wk = 0.0024631 k( 133) = ( -0.2340800 0.2340800 0.2340800), wk = 0.0024631 k( 134) = ( -0.2292034 0.2292034 0.2292034), wk = 0.0024631 k( 135) = ( -0.2243267 0.2243267 0.2243267), wk = 0.0024631 k( 136) = ( -0.2194500 0.2194500 0.2194500), wk = 0.0024631 k( 137) = ( -0.2145733 0.2145733 0.2145733), wk = 0.0024631 k( 138) = ( -0.2096967 0.2096967 0.2096967), wk = 0.0024631 k( 139) = ( -0.2048200 0.2048200 0.2048200), wk = 0.0024631 k( 140) = ( -0.1999433 0.1999433 0.1999433), wk = 0.0024631 k( 141) = ( -0.1950667 0.1950667 0.1950667), wk = 0.0024631 k( 142) = ( -0.1901900 0.1901900 0.1901900), wk = 0.0024631 k( 143) = ( -0.1853133 0.1853133 0.1853133), wk = 0.0024631 k( 144) = ( -0.1804367 0.1804367 0.1804367), wk = 0.0024631 k( 145) = ( -0.1755600 0.1755600 0.1755600), wk = 0.0024631 k( 146) = ( -0.1706833 0.1706833 0.1706833), wk = 0.0024631 k( 147) = ( -0.1658067 0.1658067 0.1658067), wk = 0.0024631 k( 148) = ( -0.1609300 0.1609300 0.1609300), wk = 0.0024631 k( 149) = ( -0.1560533 0.1560533 0.1560533), wk = 0.0024631 k( 150) = ( -0.1511767 0.1511767 0.1511767), wk = 0.0024631 k( 151) = ( -0.1463000 0.1463000 0.1463000), wk = 0.0024631 k( 152) = ( -0.1414233 0.1414233 0.1414233), wk = 0.0024631 k( 153) = ( -0.1365467 0.1365467 0.1365467), wk = 0.0024631 k( 154) = ( -0.1316700 0.1316700 0.1316700), wk = 0.0024631 k( 155) = ( -0.1267933 0.1267933 0.1267933), wk = 0.0024631 k( 156) = ( -0.1219167 0.1219167 0.1219167), wk = 0.0024631 k( 157) = ( -0.1170400 0.1170400 0.1170400), wk = 0.0024631 k( 158) = ( -0.1121633 0.1121633 0.1121633), wk = 0.0024631 k( 159) = ( -0.1072867 0.1072867 0.1072867), wk = 0.0024631 k( 160) = ( -0.1024100 0.1024100 0.1024100), wk = 0.0024631 k( 161) = ( -0.0975333 0.0975333 0.0975333), wk = 0.0024631 k( 162) = ( -0.0926567 0.0926567 0.0926567), wk = 0.0024631 k( 163) = ( -0.0877800 0.0877800 0.0877800), wk = 0.0024631 k( 164) = ( -0.0829033 0.0829033 0.0829033), wk = 0.0024631 k( 165) = ( -0.0780267 0.0780267 0.0780267), wk = 0.0024631 k( 166) = ( -0.0731500 0.0731500 0.0731500), wk = 0.0024631 k( 167) = ( -0.0682733 0.0682733 0.0682733), wk = 0.0024631 k( 168) = ( -0.0633967 0.0633967 0.0633967), wk = 0.0024631 k( 169) = ( -0.0585200 0.0585200 0.0585200), wk = 0.0024631 k( 170) = ( -0.0536433 0.0536433 0.0536433), wk = 0.0024631 k( 171) = ( -0.0487667 0.0487667 0.0487667), wk = 0.0024631 k( 172) = ( -0.0438900 0.0438900 0.0438900), wk = 0.0024631 k( 173) = ( -0.0390133 0.0390133 0.0390133), wk = 0.0024631 k( 174) = ( -0.0341367 0.0341367 0.0341367), wk = 0.0024631 k( 175) = ( -0.0292600 0.0292600 0.0292600), wk = 0.0024631 k( 176) = ( -0.0243833 0.0243833 0.0243833), wk = 0.0024631 k( 177) = ( -0.0195067 0.0195067 0.0195067), wk = 0.0024631 k( 178) = ( -0.0146300 0.0146300 0.0146300), wk = 0.0024631 k( 179) = ( -0.0097533 0.0097533 0.0097533), wk = 0.0024631 k( 180) = ( -0.0048767 0.0048767 0.0048767), wk = 0.0024631 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 182) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 183) = ( 0.0263158 0.0263158 -0.0263158), wk = 0.0024631 k( 184) = ( 0.0526316 0.0526316 -0.0526316), wk = 0.0024631 k( 185) = ( 0.0789474 0.0789474 -0.0789474), wk = 0.0024631 k( 186) = ( 0.1052632 0.1052632 -0.1052632), wk = 0.0024631 k( 187) = ( 0.1315790 0.1315789 -0.1315790), wk = 0.0024631 k( 188) = ( 0.1578947 0.1578947 -0.1578947), wk = 0.0024631 k( 189) = ( 0.1842105 0.1842105 -0.1842105), wk = 0.0024631 k( 190) = ( 0.2105263 0.2105263 -0.2105263), wk = 0.0024631 k( 191) = ( 0.2368421 0.2368421 -0.2368421), wk = 0.0024631 k( 192) = ( 0.2631579 0.2631579 -0.2631579), wk = 0.0024631 k( 193) = ( 0.2894737 0.2894737 -0.2894737), wk = 0.0024631 k( 194) = ( 0.3157895 0.3157895 -0.3157895), wk = 0.0024631 k( 195) = ( 0.3421053 0.3421053 -0.3421053), wk = 0.0024631 k( 196) = ( 0.3684211 0.3684210 -0.3684210), wk = 0.0024631 k( 197) = ( 0.3947368 0.3947368 -0.3947368), wk = 0.0024631 k( 198) = ( 0.4210526 0.4210526 -0.4210526), wk = 0.0024631 k( 199) = ( 0.4473684 0.4473684 -0.4473684), wk = 0.0024631 k( 200) = ( 0.4736842 0.4736842 -0.4736842), wk = 0.0024631 k( 201) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024631 k( 202) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024631 k( 203) = ( 0.4950707 0.5049293 -0.4950707), wk = 0.0024631 k( 204) = ( 0.4901414 0.5098586 -0.4901414), wk = 0.0024631 k( 205) = ( 0.4852120 0.5147880 -0.4852120), wk = 0.0024631 k( 206) = ( 0.4802827 0.5197173 -0.4802827), wk = 0.0024631 k( 207) = ( 0.4753534 0.5246466 -0.4753534), wk = 0.0024631 k( 208) = ( 0.4704241 0.5295759 -0.4704241), wk = 0.0024631 k( 209) = ( 0.4654948 0.5345052 -0.4654948), wk = 0.0024631 k( 210) = ( 0.4605654 0.5394346 -0.4605654), wk = 0.0024631 k( 211) = ( 0.4556361 0.5443639 -0.4556361), wk = 0.0024631 k( 212) = ( 0.4507068 0.5492932 -0.4507068), wk = 0.0024631 k( 213) = ( 0.4457775 0.5542225 -0.4457775), wk = 0.0024631 k( 214) = ( 0.4408482 0.5591518 -0.4408482), wk = 0.0024631 k( 215) = ( 0.4359189 0.5640812 -0.4359189), wk = 0.0024631 k( 216) = ( 0.4309895 0.5690105 -0.4309895), wk = 0.0024631 k( 217) = ( 0.4260602 0.5739398 -0.4260602), wk = 0.0024631 k( 218) = ( 0.4211309 0.5788691 -0.4211309), wk = 0.0024631 k( 219) = ( 0.4162016 0.5837984 -0.4162016), wk = 0.0024631 k( 220) = ( 0.4112723 0.5887277 -0.4112723), wk = 0.0024631 k( 221) = ( 0.4063429 0.5936571 -0.4063429), wk = 0.0024631 k( 222) = ( 0.4014136 0.5985864 -0.4014136), wk = 0.0024631 k( 223) = ( 0.3964843 0.6035157 -0.3964843), wk = 0.0024631 k( 224) = ( 0.3915550 0.6084450 -0.3915550), wk = 0.0024631 k( 225) = ( 0.3866256 0.6133743 -0.3866256), wk = 0.0024631 k( 226) = ( 0.3816963 0.6183037 -0.3816963), wk = 0.0024631 k( 227) = ( 0.3767670 0.6232330 -0.3767670), wk = 0.0024631 k( 228) = ( 0.3718377 0.6281623 -0.3718377), wk = 0.0024631 k( 229) = ( 0.3669084 0.6330916 -0.3669084), wk = 0.0024631 k( 230) = ( 0.3619791 0.6380209 -0.3619791), wk = 0.0024631 k( 231) = ( 0.3570497 0.6429503 -0.3570497), wk = 0.0024631 k( 232) = ( 0.3521204 0.6478796 -0.3521204), wk = 0.0024631 k( 233) = ( 0.3471911 0.6528089 -0.3471911), wk = 0.0024631 k( 234) = ( 0.3422618 0.6577382 -0.3422618), wk = 0.0024631 k( 235) = ( 0.3373325 0.6626675 -0.3373325), wk = 0.0024631 k( 236) = ( 0.3324031 0.6675969 -0.3324031), wk = 0.0024631 k( 237) = ( 0.3274738 0.6725262 -0.3274738), wk = 0.0024631 k( 238) = ( 0.3225445 0.6774555 -0.3225445), wk = 0.0024631 k( 239) = ( 0.3176152 0.6823848 -0.3176152), wk = 0.0024631 k( 240) = ( 0.3126859 0.6873141 -0.3126859), wk = 0.0024631 k( 241) = ( 0.3077565 0.6922435 -0.3077565), wk = 0.0024631 k( 242) = ( 0.3028272 0.6971728 -0.3028272), wk = 0.0024631 k( 243) = ( 0.2978979 0.7021021 -0.2978979), wk = 0.0024631 k( 244) = ( 0.2929686 0.7070314 -0.2929686), wk = 0.0024631 k( 245) = ( 0.2880393 0.7119607 -0.2880393), wk = 0.0024631 k( 246) = ( 0.2831099 0.7168900 -0.2831099), wk = 0.0024631 k( 247) = ( 0.2781806 0.7218194 -0.2781806), wk = 0.0024631 k( 248) = ( 0.2732513 0.7267487 -0.2732513), wk = 0.0024631 k( 249) = ( 0.2683220 0.7316780 -0.2683220), wk = 0.0024631 k( 250) = ( 0.2633927 0.7366073 -0.2633927), wk = 0.0024631 k( 251) = ( 0.2584633 0.7415366 -0.2584633), wk = 0.0024631 k( 252) = ( 0.2584633 0.7415366 -0.2584633), wk = 0.0024631 k( 253) = ( 0.2326170 0.7173830 -0.2326170), wk = 0.0024631 k( 254) = ( 0.2067707 0.6932293 -0.2067707), wk = 0.0024631 k( 255) = ( 0.1809243 0.6690757 -0.1809243), wk = 0.0024631 k( 256) = ( 0.1550780 0.6449220 -0.1550780), wk = 0.0024631 k( 257) = ( 0.1292317 0.6207683 -0.1292317), wk = 0.0024631 k( 258) = ( 0.1033853 0.5966147 -0.1033853), wk = 0.0024631 k( 259) = ( 0.0775390 0.5724610 -0.0775390), wk = 0.0024631 k( 260) = ( 0.0516927 0.5483073 -0.0516927), wk = 0.0024631 k( 261) = ( 0.0258463 0.5241537 -0.0258463), wk = 0.0024631 k( 262) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024631 k( 263) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024631 k( 264) = ( 0.0049020 0.4950980 0.0049020), wk = 0.0024631 k( 265) = ( 0.0098039 0.4901961 0.0098039), wk = 0.0024631 k( 266) = ( 0.0147059 0.4852941 0.0147059), wk = 0.0024631 k( 267) = ( 0.0196078 0.4803922 0.0196078), wk = 0.0024631 k( 268) = ( 0.0245098 0.4754902 0.0245098), wk = 0.0024631 k( 269) = ( 0.0294118 0.4705882 0.0294118), wk = 0.0024631 k( 270) = ( 0.0343137 0.4656863 0.0343137), wk = 0.0024631 k( 271) = ( 0.0392157 0.4607843 0.0392157), wk = 0.0024631 k( 272) = ( 0.0441177 0.4558823 0.0441177), wk = 0.0024631 k( 273) = ( 0.0490196 0.4509804 0.0490196), wk = 0.0024631 k( 274) = ( 0.0539216 0.4460784 0.0539216), wk = 0.0024631 k( 275) = ( 0.0588235 0.4411765 0.0588235), wk = 0.0024631 k( 276) = ( 0.0637255 0.4362745 0.0637255), wk = 0.0024631 k( 277) = ( 0.0686275 0.4313726 0.0686274), wk = 0.0024631 k( 278) = ( 0.0735294 0.4264706 0.0735294), wk = 0.0024631 k( 279) = ( 0.0784314 0.4215686 0.0784314), wk = 0.0024631 k( 280) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0024631 k( 281) = ( 0.0882353 0.4117647 0.0882353), wk = 0.0024631 k( 282) = ( 0.0931373 0.4068627 0.0931373), wk = 0.0024631 k( 283) = ( 0.0980392 0.4019608 0.0980392), wk = 0.0024631 k( 284) = ( 0.1029412 0.3970588 0.1029412), wk = 0.0024631 k( 285) = ( 0.1078431 0.3921569 0.1078431), wk = 0.0024631 k( 286) = ( 0.1127451 0.3872549 0.1127451), wk = 0.0024631 k( 287) = ( 0.1176471 0.3823529 0.1176471), wk = 0.0024631 k( 288) = ( 0.1225490 0.3774510 0.1225490), wk = 0.0024631 k( 289) = ( 0.1274510 0.3725490 0.1274510), wk = 0.0024631 k( 290) = ( 0.1323529 0.3676471 0.1323529), wk = 0.0024631 k( 291) = ( 0.1372549 0.3627451 0.1372549), wk = 0.0024631 k( 292) = ( 0.1421569 0.3578431 0.1421569), wk = 0.0024631 k( 293) = ( 0.1470588 0.3529412 0.1470588), wk = 0.0024631 k( 294) = ( 0.1519608 0.3480392 0.1519608), wk = 0.0024631 k( 295) = ( 0.1568627 0.3431373 0.1568627), wk = 0.0024631 k( 296) = ( 0.1617647 0.3382353 0.1617647), wk = 0.0024631 k( 297) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0024631 k( 298) = ( 0.1715686 0.3284314 0.1715686), wk = 0.0024631 k( 299) = ( 0.1764706 0.3235294 0.1764706), wk = 0.0024631 k( 300) = ( 0.1813725 0.3186274 0.1813726), wk = 0.0024631 k( 301) = ( 0.1862745 0.3137255 0.1862745), wk = 0.0024631 k( 302) = ( 0.1911765 0.3088235 0.1911765), wk = 0.0024631 k( 303) = ( 0.1960784 0.3039216 0.1960784), wk = 0.0024631 k( 304) = ( 0.2009804 0.2990196 0.2009804), wk = 0.0024631 k( 305) = ( 0.2058823 0.2941177 0.2058823), wk = 0.0024631 k( 306) = ( 0.2107843 0.2892157 0.2107843), wk = 0.0024631 k( 307) = ( 0.2156863 0.2843137 0.2156863), wk = 0.0024631 k( 308) = ( 0.2205882 0.2794118 0.2205882), wk = 0.0024631 k( 309) = ( 0.2254902 0.2745098 0.2254902), wk = 0.0024631 k( 310) = ( 0.2303922 0.2696078 0.2303922), wk = 0.0024631 k( 311) = ( 0.2352941 0.2647059 0.2352941), wk = 0.0024631 k( 312) = ( 0.2401961 0.2598039 0.2401961), wk = 0.0024631 k( 313) = ( 0.2450980 0.2549020 0.2450980), wk = 0.0024631 k( 314) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024631 k( 315) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024631 k( 316) = ( 0.2750000 0.2750000 0.2233073), wk = 0.0024631 k( 317) = ( 0.3000000 0.3000000 0.1966147), wk = 0.0024631 k( 318) = ( 0.3250000 0.3250000 0.1699220), wk = 0.0024631 k( 319) = ( 0.3500000 0.3500000 0.1432293), wk = 0.0024631 k( 320) = ( 0.3750000 0.3750000 0.1165367), wk = 0.0024631 k( 321) = ( 0.4000000 0.4000000 0.0898440), wk = 0.0024631 k( 322) = ( 0.4250000 0.4250000 0.0631513), wk = 0.0024631 k( 323) = ( 0.4500000 0.4500000 0.0364586), wk = 0.0024631 k( 324) = ( 0.4750000 0.4750000 0.0097660), wk = 0.0024631 k( 325) = ( 0.5000000 0.5000000 -0.0169267), wk = 0.0024631 k( 326) = ( 0.5000000 0.5000000 -0.0169267), wk = 0.0024631 k( 327) = ( 0.5000000 0.5000000 -0.0239278), wk = 0.0024631 k( 328) = ( 0.5000000 0.5000000 -0.0309288), wk = 0.0024631 k( 329) = ( 0.5000000 0.5000000 -0.0379299), wk = 0.0024631 k( 330) = ( 0.5000000 0.5000000 -0.0449310), wk = 0.0024631 k( 331) = ( 0.5000000 0.5000000 -0.0519320), wk = 0.0024631 k( 332) = ( 0.5000000 0.5000000 -0.0589331), wk = 0.0024631 k( 333) = ( 0.5000000 0.5000000 -0.0659341), wk = 0.0024631 k( 334) = ( 0.5000000 0.5000000 -0.0729352), wk = 0.0024631 k( 335) = ( 0.5000000 0.5000000 -0.0799363), wk = 0.0024631 k( 336) = ( 0.5000000 0.5000000 -0.0869373), wk = 0.0024631 k( 337) = ( 0.5000000 0.5000000 -0.0939384), wk = 0.0024631 k( 338) = ( 0.5000000 0.5000000 -0.1009394), wk = 0.0024631 k( 339) = ( 0.5000000 0.5000000 -0.1079405), wk = 0.0024631 k( 340) = ( 0.5000000 0.5000000 -0.1149416), wk = 0.0024631 k( 341) = ( 0.5000000 0.5000000 -0.1219426), wk = 0.0024631 k( 342) = ( 0.5000000 0.5000000 -0.1289437), wk = 0.0024631 k( 343) = ( 0.5000000 0.5000000 -0.1359448), wk = 0.0024631 k( 344) = ( 0.5000000 0.5000000 -0.1429458), wk = 0.0024631 k( 345) = ( 0.5000000 0.5000000 -0.1499469), wk = 0.0024631 k( 346) = ( 0.5000000 0.5000000 -0.1569479), wk = 0.0024631 k( 347) = ( 0.5000000 0.5000000 -0.1639490), wk = 0.0024631 k( 348) = ( 0.5000000 0.5000000 -0.1709501), wk = 0.0024631 k( 349) = ( 0.5000000 0.5000000 -0.1779511), wk = 0.0024631 k( 350) = ( 0.5000000 0.5000000 -0.1849522), wk = 0.0024631 k( 351) = ( 0.5000000 0.5000000 -0.1919533), wk = 0.0024631 k( 352) = ( 0.5000000 0.5000000 -0.1989543), wk = 0.0024631 k( 353) = ( 0.5000000 0.5000000 -0.2059554), wk = 0.0024631 k( 354) = ( 0.5000000 0.5000000 -0.2129564), wk = 0.0024631 k( 355) = ( 0.5000000 0.5000000 -0.2199575), wk = 0.0024631 k( 356) = ( 0.5000000 0.5000000 -0.2269586), wk = 0.0024631 k( 357) = ( 0.5000000 0.5000000 -0.2339596), wk = 0.0024631 k( 358) = ( 0.5000000 0.5000000 -0.2409607), wk = 0.0024631 k( 359) = ( 0.5000000 0.5000000 -0.2479618), wk = 0.0024631 k( 360) = ( 0.5000000 0.5000000 -0.2549628), wk = 0.0024631 k( 361) = ( 0.5000000 0.5000000 -0.2619639), wk = 0.0024631 k( 362) = ( 0.5000000 0.5000000 -0.2689649), wk = 0.0024631 k( 363) = ( 0.5000000 0.5000000 -0.2759660), wk = 0.0024631 k( 364) = ( 0.5000000 0.5000000 -0.2829671), wk = 0.0024631 k( 365) = ( 0.5000000 0.5000000 -0.2899681), wk = 0.0024631 k( 366) = ( 0.5000000 0.5000000 -0.2969692), wk = 0.0024631 k( 367) = ( 0.5000000 0.5000000 -0.3039703), wk = 0.0024631 k( 368) = ( 0.5000000 0.5000000 -0.3109713), wk = 0.0024631 k( 369) = ( 0.5000000 0.5000000 -0.3179724), wk = 0.0024631 k( 370) = ( 0.5000000 0.5000000 -0.3249734), wk = 0.0024631 k( 371) = ( 0.5000000 0.5000000 -0.3319745), wk = 0.0024631 k( 372) = ( 0.5000000 0.5000000 -0.3389756), wk = 0.0024631 k( 373) = ( 0.5000000 0.5000000 -0.3459766), wk = 0.0024631 k( 374) = ( 0.5000000 0.5000000 -0.3529777), wk = 0.0024631 k( 375) = ( 0.5000000 0.5000000 -0.3599788), wk = 0.0024631 k( 376) = ( 0.5000000 0.5000000 -0.3669798), wk = 0.0024631 k( 377) = ( 0.5000000 0.5000000 -0.3739809), wk = 0.0024631 k( 378) = ( 0.5000000 0.5000000 -0.3809819), wk = 0.0024631 k( 379) = ( 0.5000000 0.5000000 -0.3879830), wk = 0.0024631 k( 380) = ( 0.5000000 0.5000000 -0.3949841), wk = 0.0024631 k( 381) = ( 0.5000000 0.5000000 -0.4019851), wk = 0.0024631 k( 382) = ( 0.5000000 0.5000000 -0.4089862), wk = 0.0024631 k( 383) = ( 0.5000000 0.5000000 -0.4159873), wk = 0.0024631 k( 384) = ( 0.5000000 0.5000000 -0.4229883), wk = 0.0024631 k( 385) = ( 0.5000000 0.5000000 -0.4299894), wk = 0.0024631 k( 386) = ( 0.5000000 0.5000000 -0.4369904), wk = 0.0024631 k( 387) = ( 0.5000000 0.5000000 -0.4439915), wk = 0.0024631 k( 388) = ( 0.5000000 0.5000000 -0.4509926), wk = 0.0024631 k( 389) = ( 0.5000000 0.5000000 -0.4579936), wk = 0.0024631 k( 390) = ( 0.5000000 0.5000000 -0.4649947), wk = 0.0024631 k( 391) = ( 0.5000000 0.5000000 -0.4719958), wk = 0.0024631 k( 392) = ( 0.5000000 0.5000000 -0.4789968), wk = 0.0024631 k( 393) = ( 0.5000000 0.5000000 -0.4859979), wk = 0.0024631 k( 394) = ( 0.5000000 0.5000000 -0.4929989), wk = 0.0024631 k( 395) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024631 k( 396) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024631 k( 397) = ( 0.0250000 0.0250000 0.4750000), wk = 0.0024631 k( 398) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0024631 k( 399) = ( 0.0750000 0.0750000 0.4250000), wk = 0.0024631 k( 400) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0024631 k( 401) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0024631 k( 402) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0024631 k( 403) = ( 0.1750000 0.1750000 0.3250000), wk = 0.0024631 k( 404) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0024631 k( 405) = ( 0.2250000 0.2250000 0.2750000), wk = 0.0024631 k( 406) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024631 Dense grid: 67743 G-vectors FFT dimensions: ( 108, 108, 108) Smooth grid: 31365 G-vectors FFT dimensions: ( 80, 80, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 114, 82) NL pseudopotentials 0.17 Mb ( 57, 192) Each V/rho on FFT grid 0.36 Mb ( 23328) Each G-vector array 0.01 Mb ( 941) G-vector shells 0.00 Mb ( 458) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.57 Mb ( 114, 328) Each subspace H/S matrix 0.04 Mb ( 54, 54) Each matrix 0.48 Mb ( 192, 2, 82) The potential is recalculated from file : ./BW.save/charge-density.dat negative rho (up, down): 7.985E+02 0.000E+00 Starting wfc are 136 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 7.0 secs Computing kpt #: 2 total cpu time spent up to now is 10.9 secs Computing kpt #: 3 total cpu time spent up to now is 14.7 secs Computing kpt #: 4 total cpu time spent up to now is 19.7 secs Computing kpt #: 5 total cpu time spent up to now is 23.5 secs Computing kpt #: 6 total cpu time spent up to now is 27.3 secs Computing kpt #: 7 total cpu time spent up to now is 31.1 secs Computing kpt #: 8 total cpu time spent up to now is 34.9 secs Computing kpt #: 9 total cpu time spent up to now is 40.4 secs Computing kpt #: 10 total cpu time spent up to now is 46.4 secs Computing kpt #: 11 total cpu time spent up to now is 52.6 secs Computing kpt #: 12 total cpu time spent up to now is 57.6 secs Computing kpt #: 13 total cpu time spent up to now is 61.8 secs Computing kpt #: 14 total cpu time spent up to now is 66.2 secs Computing kpt #: 15 total cpu time spent up to now is 70.6 secs Computing kpt #: 16 total cpu time spent up to now is 75.0 secs Computing kpt #: 17 total cpu time spent up to now is 79.8 secs Computing kpt #: 18 total cpu time spent up to now is 85.4 secs Computing kpt #: 19 total cpu time spent up to now is 90.7 secs Computing kpt #: 20 total cpu time spent up to now is 95.2 secs Computing kpt #: 21 total cpu time spent up to now is 99.9 secs Computing kpt #: 22 total cpu time spent up to now is 104.3 secs Computing kpt #: 23 total cpu time spent up to now is 109.2 secs Computing kpt #: 24 total cpu time spent up to now is 114.8 secs Computing kpt #: 25 total cpu time spent up to now is 121.0 secs Computing kpt #: 26 total cpu time spent up to now is 127.1 secs Computing kpt #: 27 total cpu time spent up to now is 132.6 secs Computing kpt #: 28 total cpu time spent up to now is 137.9 secs Computing kpt #: 29 total cpu time spent up to now is 142.8 secs Computing kpt #: 30 total cpu time spent up to now is 147.6 secs Computing kpt #: 31 total cpu time spent up to now is 152.2 secs Computing kpt #: 32 total cpu time spent up to now is 156.0 secs Computing kpt #: 33 total cpu time spent up to now is 160.0 secs Computing kpt #: 34 total cpu time spent up to now is 163.6 secs Computing kpt #: 35 total cpu time spent up to now is 167.1 secs Computing kpt #: 36 total cpu time spent up to now is 170.5 secs Computing kpt #: 37 total cpu time spent up to now is 174.4 secs Computing kpt #: 38 total cpu time spent up to now is 178.2 secs Computing kpt #: 39 total cpu time spent up to now is 182.3 secs Computing kpt #: 40 total cpu time spent up to now is 186.2 secs Computing kpt #: 41 total cpu time spent up to now is 189.9 secs Computing kpt #: 42 total cpu time spent up to now is 195.9 secs Computing kpt #: 43 total cpu time spent up to now is 199.7 secs Computing kpt #: 44 total cpu time spent up to now is 203.4 secs Computing kpt #: 45 total cpu time spent up to now is 207.1 secs Computing kpt #: 46 total cpu time spent up to now is 211.0 secs Computing kpt #: 47 total cpu time spent up to now is 214.8 secs Computing kpt #: 48 total cpu time spent up to now is 218.7 secs Computing kpt #: 49 total cpu time spent up to now is 222.4 secs Computing kpt #: 50 total cpu time spent up to now is 226.2 secs Computing kpt #: 51 total cpu time spent up to now is 230.2 secs Computing kpt #: 52 total cpu time spent up to now is 233.7 secs Computing kpt #: 53 total cpu time spent up to now is 237.0 secs Computing kpt #: 54 total cpu time spent up to now is 240.6 secs Computing kpt #: 55 total cpu time spent up to now is 244.5 secs Computing kpt #: 56 total cpu time spent up to now is 248.4 secs Computing kpt #: 57 total cpu time spent up to now is 252.1 secs Computing kpt #: 58 total cpu time spent up to now is 256.0 secs Computing kpt #: 59 total cpu time spent up to now is 260.6 secs Computing kpt #: 60 total cpu time spent up to now is 265.5 secs Computing kpt #: 61 total cpu time spent up to now is 269.9 secs Computing kpt #: 62 total cpu time spent up to now is 274.5 secs Computing kpt #: 63 total cpu time spent up to now is 279.2 secs Computing kpt #: 64 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 288.2 secs Computing kpt #: 65 total cpu time spent up to now is 295.0 secs Computing kpt #: 66 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 303.6 secs Computing kpt #: 67 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 311.7 secs Computing kpt #: 68 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 320.2 secs Computing kpt #: 69 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 328.9 secs Computing kpt #: 70 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 336.8 secs Computing kpt #: 71 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 345.3 secs Computing kpt #: 72 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 354.6 secs Computing kpt #: 73 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 363.3 secs Computing kpt #: 74 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 372.5 secs Computing kpt #: 75 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 381.0 secs Computing kpt #: 76 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 391.1 secs Computing kpt #: 77 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 399.3 secs Computing kpt #: 78 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 407.7 secs Computing kpt #: 79 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 417.1 secs Computing kpt #: 80 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 425.3 secs Computing kpt #: 81 total cpu time spent up to now is 433.1 secs Computing kpt #: 82 total cpu time spent up to now is 439.6 secs Computing kpt #: 83 total cpu time spent up to now is 445.5 secs Computing kpt #: 84 total cpu time spent up to now is 450.7 secs Computing kpt #: 85 total cpu time spent up to now is 455.3 secs Computing kpt #: 86 total cpu time spent up to now is 460.3 secs Computing kpt #: 87 total cpu time spent up to now is 464.6 secs Computing kpt #: 88 total cpu time spent up to now is 468.9 secs Computing kpt #: 89 total cpu time spent up to now is 473.1 secs Computing kpt #: 90 total cpu time spent up to now is 477.6 secs Computing kpt #: 91 total cpu time spent up to now is 482.0 secs Computing kpt #: 92 total cpu time spent up to now is 486.8 secs Computing kpt #: 93 total cpu time spent up to now is 490.9 secs Computing kpt #: 94 total cpu time spent up to now is 495.1 secs Computing kpt #: 95 total cpu time spent up to now is 501.1 secs Computing kpt #: 96 total cpu time spent up to now is 505.2 secs Computing kpt #: 97 total cpu time spent up to now is 509.3 secs Computing kpt #: 98 total cpu time spent up to now is 513.6 secs Computing kpt #: 99 total cpu time spent up to now is 518.2 secs Computing kpt #: 100 total cpu time spent up to now is 522.6 secs Computing kpt #: 101 total cpu time spent up to now is 527.2 secs Computing kpt #: 102 total cpu time spent up to now is 533.6 secs Computing kpt #: 103 total cpu time spent up to now is 538.3 secs Computing kpt #: 104 total cpu time spent up to now is 543.0 secs Computing kpt #: 105 total cpu time spent up to now is 547.7 secs Computing kpt #: 106 total cpu time spent up to now is 553.7 secs Computing kpt #: 107 total cpu time spent up to now is 560.0 secs Computing kpt #: 108 total cpu time spent up to now is 565.5 secs Computing kpt #: 109 total cpu time spent up to now is 571.3 secs Computing kpt #: 110 total cpu time spent up to now is 576.9 secs Computing kpt #: 111 total cpu time spent up to now is 582.9 secs Computing kpt #: 112 total cpu time spent up to now is 588.8 secs Computing kpt #: 113 total cpu time spent up to now is 594.8 secs Computing kpt #: 114 total cpu time spent up to now is 600.8 secs Computing kpt #: 115 total cpu time spent up to now is 606.9 secs Computing kpt #: 116 total cpu time spent up to now is 613.3 secs Computing kpt #: 117 total cpu time spent up to now is 618.5 secs Computing kpt #: 118 total cpu time spent up to now is 623.2 secs Computing kpt #: 119 total cpu time spent up to now is 628.0 secs Computing kpt #: 120 total cpu time spent up to now is 632.2 secs Computing kpt #: 121 total cpu time spent up to now is 636.9 secs Computing kpt #: 122 total cpu time spent up to now is 645.6 secs Computing kpt #: 123 total cpu time spent up to now is 650.0 secs Computing kpt #: 124 total cpu time spent up to now is 654.5 secs Computing kpt #: 125 total cpu time spent up to now is 658.6 secs Computing kpt #: 126 total cpu time spent up to now is 662.4 secs Computing kpt #: 127 total cpu time spent up to now is 666.3 secs Computing kpt #: 128 total cpu time spent up to now is 670.3 secs Computing kpt #: 129 total cpu time spent up to now is 674.2 secs Computing kpt #: 130 total cpu time spent up to now is 678.1 secs Computing kpt #: 131 total cpu time spent up to now is 681.8 secs Computing kpt #: 132 total cpu time spent up to now is 685.4 secs Computing kpt #: 133 total cpu time spent up to now is 689.6 secs Computing kpt #: 134 total cpu time spent up to now is 693.4 secs Computing kpt #: 135 total cpu time spent up to now is 697.5 secs Computing kpt #: 136 total cpu time spent up to now is 701.3 secs Computing kpt #: 137 total cpu time spent up to now is 705.0 secs Computing kpt #: 138 total cpu time spent up to now is 709.2 secs Computing kpt #: 139 total cpu time spent up to now is 713.4 secs Computing kpt #: 140 total cpu time spent up to now is 717.9 secs Computing kpt #: 141 total cpu time spent up to now is 723.7 secs Computing kpt #: 142 total cpu time spent up to now is 728.8 secs Computing kpt #: 143 total cpu time spent up to now is 733.2 secs Computing kpt #: 144 total cpu time spent up to now is 737.3 secs Computing kpt #: 145 total cpu time spent up to now is 741.1 secs Computing kpt #: 146 total cpu time spent up to now is 744.9 secs Computing kpt #: 147 total cpu time spent up to now is 748.6 secs Computing kpt #: 148 total cpu time spent up to now is 756.9 secs Computing kpt #: 149 total cpu time spent up to now is 759.9 secs Computing kpt #: 150 total cpu time spent up to now is 763.4 secs Computing kpt #: 151 total cpu time spent up to now is 766.9 secs Computing kpt #: 152 total cpu time spent up to now is 770.3 secs Computing kpt #: 153 total cpu time spent up to now is 773.7 secs Computing kpt #: 154 total cpu time spent up to now is 777.3 secs Computing kpt #: 155 total cpu time spent up to now is 781.2 secs Computing kpt #: 156 total cpu time spent up to now is 785.0 secs Computing kpt #: 157 total cpu time spent up to now is 789.0 secs Computing kpt #: 158 total cpu time spent up to now is 793.4 secs Computing kpt #: 159 total cpu time spent up to now is 797.4 secs Computing kpt #: 160 total cpu time spent up to now is 800.7 secs Computing kpt #: 161 total cpu time spent up to now is 804.6 secs Computing kpt #: 162 total cpu time spent up to now is 808.8 secs Computing kpt #: 163 total cpu time spent up to now is 812.5 secs Computing kpt #: 164 total cpu time spent up to now is 816.7 secs Computing kpt #: 165 total cpu time spent up to now is 820.8 secs Computing kpt #: 166 total cpu time spent up to now is 824.8 secs Computing kpt #: 167 total cpu time spent up to now is 829.0 secs Computing kpt #: 168 total cpu time spent up to now is 833.3 secs Computing kpt #: 169 total cpu time spent up to now is 838.0 secs Computing kpt #: 170 total cpu time spent up to now is 842.7 secs Computing kpt #: 171 total cpu time spent up to now is 847.0 secs Computing kpt #: 172 total cpu time spent up to now is 850.8 secs Computing kpt #: 173 total cpu time spent up to now is 854.9 secs Computing kpt #: 174 total cpu time spent up to now is 858.9 secs Computing kpt #: 175 total cpu time spent up to now is 862.7 secs Computing kpt #: 176 total cpu time spent up to now is 866.4 secs Computing kpt #: 177 total cpu time spent up to now is 869.8 secs Computing kpt #: 178 total cpu time spent up to now is 873.4 secs Computing kpt #: 179 total cpu time spent up to now is 876.8 secs Computing kpt #: 180 total cpu time spent up to now is 880.3 secs Computing kpt #: 181 total cpu time spent up to now is 883.6 secs Computing kpt #: 182 total cpu time spent up to now is 886.9 secs Computing kpt #: 183 total cpu time spent up to now is 890.3 secs Computing kpt #: 184 total cpu time spent up to now is 893.7 secs Computing kpt #: 185 total cpu time spent up to now is 897.0 secs Computing kpt #: 186 total cpu time spent up to now is 900.5 secs Computing kpt #: 187 total cpu time spent up to now is 904.0 secs Computing kpt #: 188 total cpu time spent up to now is 907.4 secs Computing kpt #: 189 total cpu time spent up to now is 910.7 secs Computing kpt #: 190 total cpu time spent up to now is 914.3 secs Computing kpt #: 191 total cpu time spent up to now is 917.9 secs Computing kpt #: 192 total cpu time spent up to now is 921.8 secs Computing kpt #: 193 total cpu time spent up to now is 926.6 secs Computing kpt #: 194 total cpu time spent up to now is 931.9 secs Computing kpt #: 195 total cpu time spent up to now is 936.9 secs Computing kpt #: 196 total cpu time spent up to now is 942.4 secs Computing kpt #: 197 total cpu time spent up to now is 948.2 secs Computing kpt #: 198 total cpu time spent up to now is 954.3 secs Computing kpt #: 199 total cpu time spent up to now is 960.6 secs Computing kpt #: 200 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 968.7 secs Computing kpt #: 201 total cpu time spent up to now is 972.6 secs Computing kpt #: 202 total cpu time spent up to now is 976.6 secs Computing kpt #: 203 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 985.5 secs Computing kpt #: 204 total cpu time spent up to now is 994.3 secs Computing kpt #: 205 total cpu time spent up to now is 1002.2 secs Computing kpt #: 206 total cpu time spent up to now is 1007.2 secs Computing kpt #: 207 total cpu time spent up to now is 1012.3 secs Computing kpt #: 208 total cpu time spent up to now is 1016.6 secs Computing kpt #: 209 total cpu time spent up to now is 1020.6 secs Computing kpt #: 210 total cpu time spent up to now is 1024.3 secs Computing kpt #: 211 total cpu time spent up to now is 1027.9 secs Computing kpt #: 212 total cpu time spent up to now is 1031.3 secs Computing kpt #: 213 total cpu time spent up to now is 1034.9 secs Computing kpt #: 214 total cpu time spent up to now is 1038.6 secs Computing kpt #: 215 total cpu time spent up to now is 1042.5 secs Computing kpt #: 216 total cpu time spent up to now is 1046.1 secs Computing kpt #: 217 total cpu time spent up to now is 1050.0 secs Computing kpt #: 218 total cpu time spent up to now is 1053.7 secs Computing kpt #: 219 total cpu time spent up to now is 1057.5 secs Computing kpt #: 220 total cpu time spent up to now is 1061.2 secs Computing kpt #: 221 total cpu time spent up to now is 1065.4 secs Computing kpt #: 222 total cpu time spent up to now is 1069.1 secs Computing kpt #: 223 total cpu time spent up to now is 1073.1 secs Computing kpt #: 224 total cpu time spent up to now is 1077.0 secs Computing kpt #: 225 total cpu time spent up to now is 1080.8 secs Computing kpt #: 226 total cpu time spent up to now is 1085.1 secs Computing kpt #: 227 total cpu time spent up to now is 1088.4 secs Computing kpt #: 228 total cpu time spent up to now is 1091.8 secs Computing kpt #: 229 total cpu time spent up to now is 1095.5 secs Computing kpt #: 230 total cpu time spent up to now is 1098.9 secs Computing kpt #: 231 total cpu time spent up to now is 1102.4 secs Computing kpt #: 232 total cpu time spent up to now is 1105.7 secs Computing kpt #: 233 total cpu time spent up to now is 1109.5 secs Computing kpt #: 234 total cpu time spent up to now is 1113.6 secs Computing kpt #: 235 total cpu time spent up to now is 1117.9 secs Computing kpt #: 236 total cpu time spent up to now is 1122.0 secs Computing kpt #: 237 total cpu time spent up to now is 1126.2 secs Computing kpt #: 238 total cpu time spent up to now is 1131.7 secs Computing kpt #: 239 total cpu time spent up to now is 1137.2 secs Computing kpt #: 240 total cpu time spent up to now is 1142.1 secs Computing kpt #: 241 total cpu time spent up to now is 1148.4 secs Computing kpt #: 242 total cpu time spent up to now is 1152.9 secs Computing kpt #: 243 total cpu time spent up to now is 1157.3 secs Computing kpt #: 244 total cpu time spent up to now is 1161.4 secs Computing kpt #: 245 total cpu time spent up to now is 1165.4 secs Computing kpt #: 246 total cpu time spent up to now is 1169.3 secs Computing kpt #: 247 total cpu time spent up to now is 1173.2 secs Computing kpt #: 248 total cpu time spent up to now is 1176.8 secs Computing kpt #: 249 total cpu time spent up to now is 1181.1 secs Computing kpt #: 250 total cpu time spent up to now is 1184.7 secs Computing kpt #: 251 total cpu time spent up to now is 1188.1 secs Computing kpt #: 252 total cpu time spent up to now is 1191.6 secs Computing kpt #: 253 total cpu time spent up to now is 1195.5 secs Computing kpt #: 254 total cpu time spent up to now is 1199.6 secs Computing kpt #: 255 total cpu time spent up to now is 1204.6 secs Computing kpt #: 256 total cpu time spent up to now is 1208.6 secs Computing kpt #: 257 total cpu time spent up to now is 1212.4 secs Computing kpt #: 258 total cpu time spent up to now is 1216.0 secs Computing kpt #: 259 total cpu time spent up to now is 1219.7 secs Computing kpt #: 260 total cpu time spent up to now is 1223.4 secs Computing kpt #: 261 total cpu time spent up to now is 1226.8 secs Computing kpt #: 262 total cpu time spent up to now is 1230.4 secs Computing kpt #: 263 total cpu time spent up to now is 1233.9 secs Computing kpt #: 264 total cpu time spent up to now is 1237.4 secs Computing kpt #: 265 total cpu time spent up to now is 1241.1 secs Computing kpt #: 266 total cpu time spent up to now is 1244.8 secs Computing kpt #: 267 total cpu time spent up to now is 1248.8 secs Computing kpt #: 268 total cpu time spent up to now is 1252.3 secs Computing kpt #: 269 total cpu time spent up to now is 1255.8 secs Computing kpt #: 270 total cpu time spent up to now is 1259.4 secs Computing kpt #: 271 total cpu time spent up to now is 1263.4 secs Computing kpt #: 272 total cpu time spent up to now is 1267.5 secs Computing kpt #: 273 total cpu time spent up to now is 1271.6 secs Computing kpt #: 274 total cpu time spent up to now is 1275.1 secs Computing kpt #: 275 total cpu time spent up to now is 1279.1 secs Computing kpt #: 276 total cpu time spent up to now is 1283.2 secs Computing kpt #: 277 total cpu time spent up to now is 1287.4 secs Computing kpt #: 278 total cpu time spent up to now is 1291.4 secs Computing kpt #: 279 total cpu time spent up to now is 1295.3 secs Computing kpt #: 280 total cpu time spent up to now is 1299.6 secs Computing kpt #: 281 total cpu time spent up to now is 1304.1 secs Computing kpt #: 282 total cpu time spent up to now is 1308.9 secs Computing kpt #: 283 total cpu time spent up to now is 1313.8 secs Computing kpt #: 284 total cpu time spent up to now is 1317.2 secs Computing kpt #: 285 total cpu time spent up to now is 1320.9 secs Computing kpt #: 286 total cpu time spent up to now is 1324.9 secs Computing kpt #: 287 total cpu time spent up to now is 1328.8 secs Computing kpt #: 288 total cpu time spent up to now is 1333.1 secs Computing kpt #: 289 total cpu time spent up to now is 1337.1 secs Computing kpt #: 290 total cpu time spent up to now is 1341.3 secs Computing kpt #: 291 total cpu time spent up to now is 1345.1 secs Computing kpt #: 292 total cpu time spent up to now is 1348.9 secs Computing kpt #: 293 total cpu time spent up to now is 1353.8 secs Computing kpt #: 294 total cpu time spent up to now is 1358.1 secs Computing kpt #: 295 total cpu time spent up to now is 1362.6 secs Computing kpt #: 296 total cpu time spent up to now is 1366.9 secs Computing kpt #: 297 total cpu time spent up to now is 1371.2 secs Computing kpt #: 298 total cpu time spent up to now is 1375.9 secs Computing kpt #: 299 total cpu time spent up to now is 1382.0 secs Computing kpt #: 300 total cpu time spent up to now is 1386.9 secs Computing kpt #: 301 total cpu time spent up to now is 1395.1 secs Computing kpt #: 302 total cpu time spent up to now is 1401.4 secs Computing kpt #: 303 total cpu time spent up to now is 1407.3 secs Computing kpt #: 304 total cpu time spent up to now is 1413.7 secs Computing kpt #: 305 total cpu time spent up to now is 1419.4 secs Computing kpt #: 306 total cpu time spent up to now is 1425.5 secs Computing kpt #: 307 total cpu time spent up to now is 1431.2 secs Computing kpt #: 308 total cpu time spent up to now is 1437.8 secs Computing kpt #: 309 total cpu time spent up to now is 1444.8 secs Computing kpt #: 310 total cpu time spent up to now is 1452.2 secs Computing kpt #: 311 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1460.7 secs Computing kpt #: 312 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1469.6 secs Computing kpt #: 313 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1478.2 secs Computing kpt #: 314 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1486.3 secs Computing kpt #: 315 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1495.0 secs Computing kpt #: 316 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1503.5 secs Computing kpt #: 317 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1511.7 secs Computing kpt #: 318 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1519.6 secs Computing kpt #: 319 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1528.9 secs Computing kpt #: 320 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1537.2 secs Computing kpt #: 321 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1546.2 secs Computing kpt #: 322 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1554.4 secs Computing kpt #: 323 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1562.1 secs Computing kpt #: 324 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1570.5 secs Computing kpt #: 325 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1578.8 secs Computing kpt #: 326 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1588.6 secs Computing kpt #: 327 total cpu time spent up to now is 1594.8 secs Computing kpt #: 328 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1603.1 secs Computing kpt #: 329 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1611.4 secs Computing kpt #: 330 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1619.1 secs Computing kpt #: 331 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1627.0 secs Computing kpt #: 332 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1636.3 secs Computing kpt #: 333 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1644.6 secs Computing kpt #: 334 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1653.9 secs Computing kpt #: 335 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1662.1 secs Computing kpt #: 336 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1669.8 secs Computing kpt #: 337 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1678.3 secs Computing kpt #: 338 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1686.8 secs Computing kpt #: 339 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1694.3 secs Computing kpt #: 340 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1703.7 secs Computing kpt #: 341 total cpu time spent up to now is 1711.3 secs Computing kpt #: 342 total cpu time spent up to now is 1721.0 secs Computing kpt #: 343 total cpu time spent up to now is 1727.6 secs Computing kpt #: 344 total cpu time spent up to now is 1732.9 secs Computing kpt #: 345 total cpu time spent up to now is 1738.4 secs Computing kpt #: 346 total cpu time spent up to now is 1744.6 secs Computing kpt #: 347 total cpu time spent up to now is 1750.1 secs Computing kpt #: 348 total cpu time spent up to now is 1755.8 secs Computing kpt #: 349 total cpu time spent up to now is 1762.1 secs Computing kpt #: 350 total cpu time spent up to now is 1767.5 secs Computing kpt #: 351 total cpu time spent up to now is 1773.0 secs Computing kpt #: 352 total cpu time spent up to now is 1779.1 secs Computing kpt #: 353 total cpu time spent up to now is 1786.8 secs Computing kpt #: 354 total cpu time spent up to now is 1794.9 secs Computing kpt #: 355 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1803.4 secs Computing kpt #: 356 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1810.7 secs Computing kpt #: 357 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1818.9 secs Computing kpt #: 358 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1826.4 secs Computing kpt #: 359 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1834.0 secs Computing kpt #: 360 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1842.4 secs Computing kpt #: 361 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1851.5 secs Computing kpt #: 362 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1860.1 secs Computing kpt #: 363 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1868.3 secs Computing kpt #: 364 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1876.5 secs Computing kpt #: 365 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1885.9 secs Computing kpt #: 366 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1894.4 secs Computing kpt #: 367 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1903.4 secs Computing kpt #: 368 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1913.0 secs Computing kpt #: 369 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1923.8 secs Computing kpt #: 370 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1932.4 secs Computing kpt #: 371 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1940.2 secs Computing kpt #: 372 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1948.3 secs Computing kpt #: 373 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1957.1 secs Computing kpt #: 374 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1966.0 secs Computing kpt #: 375 total cpu time spent up to now is 1969.3 secs Computing kpt #: 376 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1978.0 secs Computing kpt #: 377 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1987.7 secs Computing kpt #: 378 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1996.8 secs Computing kpt #: 379 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2004.9 secs Computing kpt #: 380 total cpu time spent up to now is 2012.8 secs Computing kpt #: 381 total cpu time spent up to now is 2019.7 secs Computing kpt #: 382 total cpu time spent up to now is 2026.3 secs Computing kpt #: 383 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2035.8 secs Computing kpt #: 384 total cpu time spent up to now is 2042.3 secs Computing kpt #: 385 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2051.5 secs Computing kpt #: 386 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2060.4 secs Computing kpt #: 387 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2068.8 secs Computing kpt #: 388 total cpu time spent up to now is 2075.2 secs Computing kpt #: 389 total cpu time spent up to now is 2081.4 secs Computing kpt #: 390 total cpu time spent up to now is 2089.9 secs Computing kpt #: 391 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2098.9 secs Computing kpt #: 392 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2106.8 secs Computing kpt #: 393 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2115.0 secs Computing kpt #: 394 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2123.5 secs Computing kpt #: 395 total cpu time spent up to now is 2127.8 secs Computing kpt #: 396 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2135.5 secs Computing kpt #: 397 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2143.3 secs Computing kpt #: 398 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2151.6 secs Computing kpt #: 399 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2160.8 secs Computing kpt #: 400 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2168.8 secs Computing kpt #: 401 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2177.7 secs Computing kpt #: 402 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2186.6 secs Computing kpt #: 403 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2194.8 secs Computing kpt #: 404 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2203.1 secs Computing kpt #: 405 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2211.7 secs Computing kpt #: 406 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2259.1 secs ethr = 1.47E-08, avg # of iterations = 56.6 total cpu time spent up to now is 2259.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3875 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.6378 -60.6378 -60.5074 -60.5074 -60.4056 -60.4056 -60.2715 -60.2715 -36.6980 -36.6980 -36.3837 -36.3837 -36.1629 -36.1629 -35.8267 -35.8267 -29.7973 -29.7973 -29.0780 -29.0780 -28.9709 -28.9709 -28.5605 -28.5605 -28.4092 -28.4092 -28.0224 -28.0224 -27.9244 -27.9244 -27.3999 -27.3999 -20.0816 -20.0816 -18.2016 -18.2016 -14.9023 -14.9023 -14.0786 -14.0786 -11.1683 -11.1683 -11.1193 -11.1193 -10.6804 -10.6804 -10.6028 -10.6028 -10.2923 -10.2923 -10.1049 -10.1049 -9.5351 -9.5351 -9.2461 -9.2461 -8.5271 -8.5271 -7.5894 -7.5894 -5.2353 -5.2353 -3.7207 -3.7207 -3.3050 -3.3050 k = 0.0000 0.0000 0.0276 ( 3871 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.6376 -60.6376 -60.5073 -60.5073 -60.4060 -60.4060 -60.2717 -60.2717 -36.6978 -36.6978 -36.3838 -36.3838 -36.1632 -36.1632 -35.8271 -35.8271 -29.7965 -29.7965 -29.0798 -29.0798 -28.9704 -28.9704 -28.5610 -28.5610 -28.4090 -28.4090 -28.0241 -28.0241 -27.9242 -27.9242 -27.4000 -27.4000 -20.0788 -20.0788 -18.2010 -18.2010 -14.8997 -14.8997 -14.0764 -14.0764 -11.1735 -11.1735 -11.1242 -11.1242 -10.6825 -10.6825 -10.5987 -10.5987 -10.2926 -10.2926 -10.1025 -10.1025 -9.5337 -9.5337 -9.2396 -9.2396 -8.5245 -8.5245 -7.5876 -7.5876 -5.2424 -5.2424 -3.7206 -3.7206 -3.3060 -3.3060 k = 0.0000 0.0000 0.0552 ( 3867 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.6373 -60.6373 -60.5070 -60.5070 -60.4059 -60.4059 -60.2718 -60.2718 -36.6977 -36.6977 -36.3843 -36.3843 -36.1642 -36.1642 -35.8285 -35.8285 -29.7956 -29.7956 -29.0854 -29.0854 -28.9684 -28.9684 -28.5623 -28.5623 -28.4087 -28.4087 -28.0293 -28.0293 -27.9234 -27.9234 -27.4011 -27.4011 -20.0706 -20.0706 -18.1990 -18.1990 -14.8922 -14.8922 -14.0708 -14.0708 -11.1889 -11.1889 -11.1375 -11.1375 -10.6922 -10.6922 -10.5840 -10.5840 -10.2940 -10.2940 -10.0956 -10.0956 -9.5296 -9.5296 -9.2206 -9.2206 -8.5169 -8.5169 -7.5822 -7.5822 -5.2638 -5.2638 -3.7201 -3.7201 -3.3089 -3.3089 k = 0.0000 0.0000 0.0827 ( 3867 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.6366 -60.6366 -60.5066 -60.5066 -60.4059 -60.4059 -60.2719 -60.2719 -36.6975 -36.6975 -36.3850 -36.3850 -36.1659 -36.1659 -35.8308 -35.8308 -29.7941 -29.7941 -29.0941 -29.0941 -28.9659 -28.9659 -28.5648 -28.5648 -28.4084 -28.4084 -28.0376 -28.0376 -27.9225 -27.9225 -27.4028 -27.4028 -20.0570 -20.0570 -18.1959 -18.1959 -14.8795 -14.8795 -14.0617 -14.0617 -11.2154 -11.2154 -11.1563 -11.1563 -10.7132 -10.7132 -10.5568 -10.5568 -10.2968 -10.2968 -10.0842 -10.0842 -9.5230 -9.5230 -9.1896 -9.1896 -8.5040 -8.5040 -7.5733 -7.5733 -5.2989 -5.2989 -3.7192 -3.7192 -3.3137 -3.3137 k = 0.0000 0.0000 0.1103 ( 3863 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.6356 -60.6356 -60.5059 -60.5059 -60.4058 -60.4058 -60.2720 -60.2720 -36.6973 -36.6973 -36.3860 -36.3860 -36.1682 -36.1682 -35.8340 -35.8340 -29.7921 -29.7921 -29.1053 -29.1053 -28.9632 -28.9632 -28.5683 -28.5683 -28.4081 -28.4081 -28.0487 -28.0487 -27.9215 -27.9215 -27.4053 -27.4053 -20.0379 -20.0379 -18.1914 -18.1914 -14.8618 -14.8618 -14.0489 -14.0489 -11.2513 -11.2513 -11.1787 -11.1787 -10.7442 -10.7442 -10.5198 -10.5198 -10.3011 -10.3011 -10.0682 -10.0682 -9.5142 -9.5142 -9.1475 -9.1475 -8.4858 -8.4858 -7.5610 -7.5610 -5.3471 -5.3471 -3.7178 -3.7178 -3.3205 -3.3205 k = 0.0000 0.0000 0.1379 ( 3855 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.6346 -60.6346 -60.5050 -60.5050 -60.4057 -60.4057 -60.2719 -60.2719 -36.6968 -36.6968 -36.3874 -36.3874 -36.1711 -36.1711 -35.8379 -35.8379 -29.7892 -29.7892 -29.1184 -29.1184 -28.9610 -28.9610 -28.5727 -28.5727 -28.4075 -28.4075 -28.0623 -28.0623 -27.9206 -27.9206 -27.4082 -27.4082 -20.0136 -20.0136 -18.1856 -18.1856 -14.8390 -14.8390 -14.0325 -14.0325 -11.2939 -11.2939 -11.2046 -11.2046 -10.7828 -10.7828 -10.4764 -10.4764 -10.3068 -10.3068 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************************************************************************ -60.6207 -60.6207 -60.4946 -60.4946 -60.4054 -60.4054 -60.2755 -60.2755 -36.6928 -36.6928 -36.4043 -36.4043 -36.2098 -36.2098 -35.8913 -35.8913 -29.7555 -29.7555 -29.2438 -29.2438 -28.9781 -28.9781 -28.6344 -28.6344 -28.3992 -28.3992 -28.2184 -28.2184 -27.9279 -27.9279 -27.4504 -27.4504 -19.7066 -19.7066 -18.1073 -18.1073 -14.5454 -14.5454 -13.8244 -13.8244 -11.6645 -11.6645 -11.4821 -11.4821 -11.1548 -11.1548 -10.4105 -10.4105 -10.0806 -10.0806 -9.8021 -9.8021 -9.4175 -9.4175 -8.5443 -8.5443 -8.1365 -8.1365 -7.3721 -7.3721 -6.0679 -6.0679 -3.7969 -3.7969 -3.5769 -3.5769 k = 0.0000 0.0000 0.3585 ( 3900 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.6177 -60.6177 -60.4924 -60.4924 -60.4052 -60.4052 -60.2761 -60.2761 -36.6920 -36.6920 -36.4077 -36.4077 -36.2176 -36.2176 -35.9022 -35.9022 -29.7485 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PWs) bands (ev): ************************************************************************ ************************************************************************ -60.6074 -60.6074 -60.4844 -60.4844 -60.4043 -60.4043 -60.2787 -60.2787 -36.6894 -36.6894 -36.4191 -36.4191 -36.2441 -36.2441 -35.9392 -35.9392 -29.7249 -29.7249 -29.3279 -29.3279 -29.0180 -29.0180 -28.6914 -28.6914 -28.4011 -28.4011 -28.3347 -28.3347 -27.9411 -27.9411 -27.4903 -27.4903 -19.4399 -19.4399 -18.0303 -18.0303 -14.2805 -14.2805 -13.6424 -13.6424 -11.8892 -11.8892 -11.6862 -11.6862 -11.3927 -11.3927 -10.4926 -10.4926 -9.8442 -9.8442 -9.5923 -9.5923 -9.3670 -9.3670 -8.1590 -8.1590 -7.8312 -7.8312 -7.2473 -7.2473 -6.5070 -6.5070 -4.4160 -4.4160 -3.5839 -3.5839 k = 0.0000 0.0000 0.4688 ( 3914 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.6035 -60.6035 -60.4821 -60.4821 -60.4041 -60.4041 -60.2795 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************************************************************************ -60.5864 -60.5864 -60.4691 -60.4691 -60.4027 -60.4027 -60.2832 -60.2832 -36.6835 -36.6835 -36.4410 -36.4410 -36.2971 -36.2971 -36.0135 -36.0135 -29.6780 -29.6780 -29.4348 -29.4348 -29.0913 -29.0913 -28.7804 -28.7804 -28.5323 -28.5323 -28.3791 -28.3791 -27.9628 -27.9628 -27.5556 -27.5556 -19.0419 -19.0419 -17.8981 -17.8981 -13.8722 -13.8722 -13.3807 -13.3807 -12.1672 -12.1672 -11.9435 -11.9435 -11.6709 -11.6709 -10.6403 -10.6403 -9.5528 -9.5528 -9.3298 -9.3298 -9.2223 -9.2223 -7.8147 -7.8147 -7.3606 -7.3606 -7.0825 -7.0825 -6.8526 -6.8526 -5.3200 -5.3200 -3.6259 -3.6259 k = 0.0000 0.0000 0.6067 ( 3922 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5816 -60.5816 -60.4660 -60.4660 -60.4025 -60.4025 -60.2842 -60.2842 -36.6822 -36.6822 -36.4459 -36.4459 -36.3091 -36.3091 -36.0300 -36.0300 -29.6687 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************************************************************************ -60.5382 -60.5382 -60.4346 -60.4346 -60.3985 -60.3985 -60.2940 -60.2940 -36.6707 -36.6707 -36.4874 -36.4874 -36.4104 -36.4104 -36.1752 -36.1752 -29.6850 -29.6850 -29.5108 -29.5108 -29.2578 -29.2578 -28.9815 -28.9815 -28.8573 -28.8573 -28.4186 -28.4186 -28.0089 -28.0089 -27.7129 -27.7129 -18.2526 -18.2526 -17.5561 -17.5561 -13.3587 -13.3587 -12.8772 -12.8772 -12.6204 -12.6204 -12.2110 -12.2110 -11.8607 -11.8607 -11.0515 -11.0515 -9.1365 -9.1365 -9.0615 -9.0615 -8.5283 -8.5283 -8.2643 -8.2643 -7.0752 -7.0752 -6.8135 -6.8135 -6.2882 -6.2882 -5.9741 -5.9741 -4.5138 -4.5138 k = 0.0000 0.0000 0.8549 ( 3928 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5322 -60.5322 -60.4304 -60.4304 -60.3979 -60.3979 -60.2953 -60.2953 -36.6691 -36.6691 -36.4928 -36.4928 -36.4232 -36.4232 -36.1943 -36.1943 -29.7020 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PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5141 -60.5141 -60.4177 -60.4177 -60.3960 -60.3960 -60.2993 -60.2993 -36.6638 -36.6638 -36.5105 -36.5105 -36.4601 -36.4601 -36.2528 -36.2528 -29.7571 -29.7571 -29.4675 -29.4675 -29.3302 -29.3302 -29.0892 -29.0892 -28.9746 -28.9746 -28.4513 -28.4513 -28.0323 -28.0323 -27.7950 -27.7950 -17.9162 -17.9162 -17.3649 -17.3649 -13.5289 -13.5289 -12.9715 -12.9715 -12.3729 -12.3729 -12.1921 -12.1921 -11.7229 -11.7229 -11.2420 -11.2420 -9.0461 -9.0461 -8.9302 -8.9302 -8.5246 -8.5246 -8.2073 -8.2073 -7.3650 -7.3650 -7.0587 -7.0587 -5.8363 -5.8363 -5.4229 -5.4229 -4.8982 -4.8982 k = 0.0000 0.0000 0.9652 ( 3926 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5079 -60.5079 -60.4135 -60.4135 -60.3954 -60.3954 -60.3007 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************************************************************************ -60.6372 -60.6372 -60.5093 -60.5093 -60.4040 -60.4040 -60.2723 -60.2723 -36.6965 -36.6965 -36.3889 -36.3889 -36.1574 -36.1574 -35.8281 -35.8281 -29.7943 -29.7943 -29.1099 -29.1099 -28.9402 -28.9402 -28.5610 -28.5610 -28.4058 -28.4058 -28.0243 -28.0243 -27.9218 -27.9218 -27.4046 -27.4046 -20.0709 -20.0709 -18.2190 -18.2190 -14.8912 -14.8912 -14.0813 -14.0813 -11.1617 -11.1617 -11.1169 -11.1169 -10.6792 -10.6792 -10.6022 -10.6022 -10.2904 -10.2904 -10.1077 -10.1077 -9.5311 -9.5311 -9.2676 -9.2676 -8.5293 -8.5293 -7.5826 -7.5826 -5.2263 -5.2263 -3.6994 -3.6994 -3.3391 -3.3391 k = 0.0789 0.0205 0.0000 ( 3858 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.6364 -60.6364 -60.5117 -60.5117 -60.4015 -60.4015 -60.2729 -60.2729 -36.6948 -36.6948 -36.3952 -36.3952 -36.1510 -36.1510 -35.8297 -35.8297 -29.7911 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0.0000 ( 3882 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.6331 -60.6331 -60.5233 -60.5233 -60.3907 -60.3907 -60.2777 -60.2777 -36.6861 -36.6861 -36.4241 -36.4241 -36.1214 -36.1214 -35.8398 -35.8398 -29.7755 -29.7755 -29.2303 -29.2303 -28.8316 -28.8316 -28.5668 -28.5668 -28.3806 -28.3806 -28.0389 -28.0389 -27.9030 -27.9030 -27.4429 -27.4429 -19.9869 -19.9869 -18.3508 -18.3508 -14.8095 -14.8095 -14.1061 -14.1061 -11.1122 -11.1122 -11.0975 -11.0975 -10.6703 -10.6703 -10.5977 -10.5977 -10.2760 -10.2760 -10.1272 -10.1272 -9.5211 -9.5211 -9.4214 -9.4214 -8.5264 -8.5264 -7.5483 -7.5483 -5.1563 -5.1563 -3.6442 -3.6442 -3.4277 -3.4277 k = 0.1842 0.0479 0.0000 ( 3886 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.6311 -60.6311 -60.5282 -60.5282 -60.3860 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-27.4748 -27.4748 -19.9153 -19.9153 -18.4570 -18.4570 -14.7467 -14.7467 -14.1277 -14.1277 -11.0808 -11.0808 -11.0713 -11.0713 -10.6624 -10.6624 -10.5929 -10.5929 -10.2631 -10.2631 -10.1398 -10.1398 -9.5427 -9.5427 -9.5280 -9.5280 -8.4983 -8.4983 -7.5404 -7.5404 -5.0970 -5.0970 -3.7530 -3.7530 -3.3111 -3.3111 k = 0.2368 0.0616 0.0000 ( 3878 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.6266 -60.6266 -60.5383 -60.5383 -60.3757 -60.3757 -60.2836 -60.2836 -36.6714 -36.6714 -36.4609 -36.4609 -36.0832 -36.0832 -35.8560 -35.8560 -29.7483 -29.7483 -29.3228 -29.3228 -28.7585 -28.7585 -28.5741 -28.5741 -28.3440 -28.3440 -28.0569 -28.0569 -27.8783 -27.8783 -27.4932 -27.4932 -19.8725 -19.8725 -18.5176 -18.5176 -14.7119 -14.7119 -14.1405 -14.1405 -11.0682 -11.0682 -11.0507 -11.0507 -10.6574 -10.6574 -10.5896 -10.5896 -10.2550 -10.2550 -10.1458 -10.1458 -9.5964 -9.5964 -9.5519 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************************************************************************ -60.6211 -60.6211 -60.5489 -60.5489 -60.3642 -60.3642 -60.2892 -60.2892 -36.6585 -36.6585 -36.4866 -36.4866 -36.0557 -36.0557 -35.8700 -35.8700 -29.7244 -29.7244 -29.3816 -29.3816 -28.7182 -28.7182 -28.5804 -28.5804 -28.3116 -28.3116 -28.0720 -28.0720 -27.8562 -27.8562 -27.5337 -27.5337 -19.7744 -19.7744 -18.6507 -18.6507 -14.6386 -14.6386 -14.1712 -14.1712 -11.0396 -11.0396 -11.0080 -11.0080 -10.6450 -10.6450 -10.5809 -10.5809 -10.2359 -10.2359 -10.1553 -10.1553 -9.7176 -9.7176 -9.6065 -9.6065 -8.3982 -8.3982 -7.5665 -7.5665 -4.9807 -4.9807 -3.9680 -3.9680 -3.0558 -3.0558 k = 0.3158 0.0822 0.0000 ( 3874 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.6182 -60.6182 -60.5545 -60.5545 -60.3587 -60.3587 -60.2925 -60.2925 -36.6513 -36.6513 -36.4997 -36.4997 -36.0422 -36.0422 -35.8782 -35.8782 -29.7109 -29.7109 -29.4101 -29.4101 -28.7011 -28.7011 -28.5842 -28.5842 -28.2941 -28.2941 -28.0812 -28.0812 -27.8441 -27.8441 -27.5563 -27.5563 -19.7194 -19.7194 -18.7218 -18.7218 -14.6013 -14.6013 -14.1890 -14.1890 -11.0237 -11.0237 -10.9880 -10.9880 -10.6376 -10.6376 -10.5759 -10.5759 -10.2257 -10.2257 -10.1580 -10.1580 -9.7766 -9.7766 -9.6422 -9.6422 -8.3500 -8.3500 -7.5882 -7.5882 -4.9357 -4.9357 -4.0428 -4.0428 -2.9650 -2.9650 k = 0.3421 0.0890 0.0000 ( 3886 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.6151 -60.6151 -60.5606 -60.5606 -60.3532 -60.3532 -60.2960 -60.2960 -36.6434 -36.6434 -36.5127 -36.5127 -36.0288 -36.0288 -35.8869 -35.8869 -29.6962 -29.6962 -29.4378 -29.4378 -28.6860 -28.6860 -28.5883 -28.5883 -28.2763 -28.2763 -28.0909 -28.0909 -27.8306 -27.8306 -27.5796 -27.5796 -19.6608 -19.6608 -18.7953 -18.7953 -14.5640 -14.5640 -14.2083 -14.2083 -11.0071 -11.0071 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0.0000 ( 3886 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.6078 -60.6078 -60.5711 -60.5711 -60.3422 -60.3422 -60.3035 -60.3035 -36.6261 -36.6261 -36.5382 -36.5382 -36.0017 -36.0017 -35.9060 -35.9060 -29.6635 -29.6635 -29.4907 -29.4907 -28.6598 -28.6598 -28.5975 -28.5975 -28.2387 -28.2387 -28.1126 -28.1126 -27.7992 -27.7992 -27.6272 -27.6272 -19.5339 -19.5339 -18.9462 -18.9462 -14.4910 -14.4910 -14.2519 -14.2519 -10.9745 -10.9745 -10.9420 -10.9420 -10.6098 -10.6098 -10.5623 -10.5623 -10.1997 -10.1997 -10.1493 -10.1493 -9.9220 -9.9220 -9.7689 -9.7689 -8.1741 -8.1741 -7.6941 -7.6941 -4.7826 -4.7826 -4.2646 -4.2646 -2.7120 -2.7120 k = 0.4211 0.1096 0.0000 ( 3886 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.6039 -60.6039 -60.5763 -60.5763 -60.3369 -60.3369 -60.3076 -60.3076 -36.6166 -36.6166 -36.5506 -36.5506 -35.9884 -35.9884 -35.9164 -35.9164 -29.6455 -29.6455 -29.5158 -29.5158 -28.6488 -28.6488 -28.6028 -28.6028 -28.2201 -28.2201 -28.1248 -28.1248 -27.7814 -27.7814 -27.6511 -27.6511 -19.4662 -19.4662 -19.0227 -19.0227 -14.4560 -14.4560 -14.2762 -14.2762 -10.9598 -10.9598 -10.9333 -10.9333 -10.5991 -10.5991 -10.5602 -10.5602 -10.1931 -10.1931 -10.1447 -10.1447 -9.9495 -9.9495 -9.8131 -9.8131 -8.1094 -8.1094 -7.7420 -7.7420 -4.7260 -4.7260 -4.3363 -4.3363 -2.6437 -2.6437 k = 0.4474 0.1164 0.0000 ( 3902 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5999 -60.5999 -60.5813 -60.5813 -60.3317 -60.3317 -60.3125 -60.3125 -36.6070 -36.6070 -36.5626 -36.5626 -35.9754 -35.9754 -35.9274 -35.9274 -29.6270 -29.6270 -29.5401 -29.5401 -28.6392 -28.6392 -28.6092 -28.6092 -28.2020 -28.2020 -28.1385 -28.1385 -27.7624 -27.7624 -27.6750 -27.6750 -19.3963 -19.3963 -19.0991 -19.0991 -14.4222 -14.4222 -14.3023 -14.3023 -10.9475 -10.9475 -10.9287 -10.9287 -10.5885 -10.5885 -10.5608 -10.5608 -10.1857 -10.1857 -10.1459 -10.1459 -9.9596 -9.9596 -9.8558 -9.8558 -8.0438 -8.0438 -7.7954 -7.7954 -4.6668 -4.6668 -4.4064 -4.4064 -2.5879 -2.5879 k = 0.4737 0.1233 0.0000 ( 3902 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5955 -60.5955 -60.5862 -60.5862 -60.3267 -60.3267 -60.3171 -60.3171 -36.5965 -36.5965 -36.5743 -36.5743 -35.9628 -35.9628 -35.9388 -35.9388 -29.6068 -29.6068 -29.5633 -29.5633 -28.6305 -28.6305 -28.6155 -28.6155 -28.1847 -28.1847 -28.1529 -28.1529 -27.7420 -27.7420 -27.6982 -27.6982 -19.3241 -19.3241 -19.1751 -19.1751 -14.3899 -14.3899 -14.3299 -14.3299 -10.9376 -10.9376 -10.9279 -10.9279 -10.5784 -10.5784 -10.5640 -10.5640 -10.1763 -10.1763 -10.1536 -10.1536 -9.9510 -9.9510 -9.8947 -9.8947 -7.9784 -7.9784 -7.8532 -7.8532 -4.6051 -4.6051 -4.4748 -4.4748 -2.5466 -2.5432 k = 0.5000 0.1301 0.0000 ( 3902 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5909 -60.5909 -60.5909 -60.5909 -60.3218 -60.3218 -60.3218 -60.3218 -36.5856 -36.5856 -36.5856 -36.5856 -35.9506 -35.9506 -35.9506 -35.9506 -29.5856 -29.5856 -29.5856 -29.5856 -28.6226 -28.6226 -28.6226 -28.6226 -28.1683 -28.1683 -28.1683 -28.1683 -27.7206 -27.7206 -27.7206 -27.7206 -19.2503 -19.2503 -19.2503 -19.2503 -14.3591 -14.3591 -14.3591 -14.3591 -10.9309 -10.9309 -10.9309 -10.9309 -10.5700 -10.5700 -10.5700 -10.5700 -10.1650 -10.1650 -10.1650 -10.1650 -9.9277 -9.9277 -9.9277 -9.9277 -7.9145 -7.9145 -7.9145 -7.9145 -4.5410 -4.5410 -4.5410 -4.5410 -2.5206 -2.5206 k = 0.5000 0.1301 0.0000 ( 3902 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5909 -60.5909 -60.5909 -60.5909 -60.3218 -60.3218 -60.3218 -60.3218 -36.5856 -36.5856 -36.5856 -36.5856 -35.9506 -35.9506 -35.9506 -35.9506 -29.5856 -29.5856 -29.5856 -29.5856 -28.6226 -28.6226 -28.6226 -28.6226 -28.1683 -28.1683 -28.1683 -28.1683 -27.7206 -27.7206 -27.7206 -27.7206 -19.2503 -19.2503 -19.2503 -19.2503 -14.3591 -14.3591 -14.3591 -14.3591 -10.9309 -10.9309 -10.9309 -10.9309 -10.5700 -10.5700 -10.5700 -10.5700 -10.1650 -10.1650 -10.1650 -10.1650 -9.9277 -9.9277 -9.9277 -9.9277 -7.9145 -7.9145 -7.9145 -7.9145 -4.5410 -4.5410 -4.5410 -4.5410 -2.5206 -2.5206 k = 0.4951 0.1490 0.0196 ( 3900 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5908 -60.5908 -60.5908 -60.5908 -60.3218 -60.3218 -60.3218 -60.3218 -36.5862 -36.5862 -36.5852 -36.5852 -35.9512 -35.9512 -35.9507 -35.9507 -29.5905 -29.5905 -29.5807 -29.5807 -28.6289 -28.6289 -28.6176 -28.6176 -28.1774 -28.1774 -28.1608 -28.1608 -27.7282 -27.7282 -27.7132 -27.7132 -19.2489 -19.2489 -19.2476 -19.2476 -14.3599 -14.3599 -14.3541 -14.3541 -10.9519 -10.9519 -10.9229 -10.9229 -10.6037 -10.6037 -10.5369 -10.5369 -10.1989 -10.1989 -10.1491 -10.1491 -9.9468 -9.9468 -9.8727 -9.8727 -7.9152 -7.9152 -7.9122 -7.9122 -4.5487 -4.5487 -4.5413 -4.5413 -2.5460 -2.5455 k = 0.4901 0.1680 0.0391 ( 3899 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5905 -60.5905 -60.5904 -60.5904 -60.3219 -60.3219 -60.3217 -60.3217 -36.5868 -36.5868 -36.5850 -36.5850 -35.9525 -35.9525 -35.9517 -35.9517 -29.5954 -29.5954 -29.5760 -29.5760 -28.6365 -28.6365 -28.6139 -28.6139 -28.1881 -28.1881 -28.1551 -28.1551 -27.7359 -27.7359 -27.7060 -27.7060 -19.2439 -19.2439 -19.2408 -19.2408 -14.3566 -14.3566 -14.3448 -14.3448 -10.9906 -10.9906 -10.9226 -10.9226 -10.6373 -10.6373 -10.5080 -10.5080 -10.2374 -10.2374 -10.1433 -10.1433 -9.9455 -9.9455 -9.7862 -9.7862 -7.9162 -7.9162 -7.9065 -7.9065 -4.5646 -4.5646 -4.5490 -4.5490 -2.6050 -2.6050 k = 0.4852 0.1869 0.0587 ( 3897 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5900 -60.5900 -60.5898 -60.5898 -60.3218 -60.3218 -60.3216 -60.3216 -36.5876 -36.5876 -36.5848 -36.5848 -35.9546 -35.9546 -35.9533 -35.9533 -29.6004 -29.6004 -29.5712 -29.5712 -28.6454 -28.6454 -28.6114 -28.6114 -28.2003 -28.2003 -28.1511 -28.1511 -27.7435 -27.7435 -27.6990 -27.6990 -19.2354 -19.2354 -19.2298 -19.2298 -14.3492 -14.3492 -14.3314 -14.3314 -11.0477 -11.0477 -10.9287 -10.9287 -10.6707 -10.6707 -10.4886 -10.4886 -10.2593 -10.2593 -10.1390 -10.1390 -9.9346 -9.9346 -9.6823 -9.6823 -7.9177 -7.9177 -7.8969 -7.8969 -4.5888 -4.5888 -4.5639 -4.5639 -2.6873 -2.6873 k = 0.4803 0.2059 0.0783 ( 3893 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5893 -60.5893 -60.5889 -60.5889 -60.3219 -60.3219 -60.3214 -60.3214 -36.5885 -36.5885 -36.5847 -36.5847 -35.9574 -35.9574 -35.9557 -35.9557 -29.6054 -29.6054 -29.5666 -29.5666 -28.6556 -28.6556 -28.6101 -28.6101 -28.2138 -28.2138 -28.1491 -28.1491 -27.7511 -27.7511 -27.6923 -27.6923 -19.2234 -19.2234 -19.2145 -19.2145 -14.3378 -14.3378 -14.3138 -14.3138 -11.1209 -11.1209 -10.9436 -10.9436 -10.7014 -10.7014 -10.4809 -10.4809 -10.2568 -10.2568 -10.1322 -10.1322 -9.9174 -9.9174 -9.5694 -9.5694 -7.9199 -7.9199 -7.8832 -7.8832 -4.6212 -4.6212 -4.5857 -4.5857 -2.7840 -2.7840 k = 0.4754 0.2248 0.0979 ( 3893 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5885 -60.5885 -60.5878 -60.5878 -60.3220 -60.3220 -60.3213 -60.3213 -36.5895 -36.5895 -36.5848 -36.5848 -35.9609 -35.9609 -35.9589 -35.9589 -29.6105 -29.6105 -29.5623 -29.5623 -28.6673 -28.6673 -28.6101 -28.6101 -28.2288 -28.2288 -28.1492 -28.1492 -27.7586 -27.7586 -27.6860 -27.6860 -19.2080 -19.2080 -19.1950 -19.1950 -14.3227 -14.3227 -14.2922 -14.2922 -11.2074 -11.2074 -10.9707 -10.9707 -10.7249 -10.7249 -10.4797 -10.4797 -10.2378 -10.2378 -10.1194 -10.1194 -9.8954 -9.8954 -9.4521 -9.4521 -7.9227 -7.9227 -7.8652 -7.8652 -4.6613 -4.6613 -4.6142 -4.6142 -2.8897 -2.8897 k = 0.4704 0.2438 0.1174 ( 3901 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5875 -60.5875 -60.5865 -60.5865 -60.3223 -60.3223 -60.3212 -60.3212 -36.5908 -36.5908 -36.5851 -36.5851 -35.9653 -35.9653 -35.9628 -35.9628 -29.6159 -29.6159 -29.5583 -29.5583 -28.6802 -28.6802 -28.6113 -28.6113 -28.2451 -28.2451 -28.1516 -28.1516 -27.7661 -27.7661 -27.6801 -27.6801 -19.1894 -19.1894 -19.1714 -19.1714 -14.3040 -14.3040 -14.2666 -14.2666 -11.3044 -11.3044 -11.0112 -11.0112 -10.7383 -10.7383 -10.4786 -10.4786 -10.2151 -10.2151 -10.0959 -10.0959 -9.8692 -9.8692 -9.3327 -9.3327 -7.9262 -7.9262 -7.8426 -7.8426 -4.7086 -4.7086 -4.6495 -4.6495 -3.0006 -3.0006 k = 0.4655 0.2627 0.1370 ( 3901 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5863 -60.5863 -60.5847 -60.5847 -60.3225 -60.3225 -60.3210 -60.3210 -36.5922 -36.5922 -36.5854 -36.5854 -35.9703 -35.9703 -35.9674 -35.9674 -29.6210 -29.6210 -29.5542 -29.5542 -28.6944 -28.6944 -28.6134 -28.6134 -28.2623 -28.2623 -28.1559 -28.1559 -27.7729 -27.7729 -27.6746 -27.6746 -19.1676 -19.1676 -19.1437 -19.1437 -14.2817 -14.2817 -14.2370 -14.2370 -11.4091 -11.4091 -11.0624 -11.0624 -10.7433 -10.7433 -10.4743 -10.4743 -10.1965 -10.1965 -10.0586 -10.0586 -9.8389 -9.8389 -9.2132 -9.2132 -7.9304 -7.9304 -7.8147 -7.8147 -4.7623 -4.7623 -4.6912 -4.6912 -3.1138 -3.1138 k = 0.4606 0.2817 0.1566 ( 3899 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5849 -60.5849 -60.5828 -60.5828 -60.3228 -60.3228 -60.3209 -60.3209 -36.5936 -36.5936 -36.5858 -36.5858 -35.9760 -35.9760 -35.9728 -35.9728 -29.6263 -29.6263 -29.5506 -29.5506 -28.7096 -28.7096 -28.6167 -28.6167 -28.2804 -28.2804 -28.1625 -28.1625 -27.7794 -27.7794 -27.6691 -27.6691 -19.1426 -19.1426 -19.1122 -19.1122 -14.2564 -14.2564 -14.2036 -14.2036 -11.5191 -11.5191 -11.1208 -11.1208 -10.7430 -10.7430 -10.4653 -10.4653 -10.1823 -10.1823 -10.0100 -10.0100 -9.8048 -9.8048 -9.0948 -9.0948 -7.9352 -7.9352 -7.7810 -7.7810 -4.8218 -4.8218 -4.7397 -4.7397 -3.2271 -3.2271 k = 0.4556 0.3006 0.1762 ( 3903 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5832 -60.5832 -60.5806 -60.5806 -60.3232 -60.3232 -60.3207 -60.3207 -36.5953 -36.5953 -36.5864 -36.5864 -35.9824 -35.9824 -35.9787 -35.9787 -29.6317 -29.6317 -29.5473 -29.5473 -28.7257 -28.7257 -28.6210 -28.6210 -28.2991 -28.2991 -28.1713 -28.1713 -27.7855 -27.7855 -27.6641 -27.6641 -19.1145 -19.1145 -19.0769 -19.0769 -14.2283 -14.2283 -14.1665 -14.1665 -11.6326 -11.6326 -11.1837 -11.1837 -10.7408 -10.7408 -10.4514 -10.4514 -10.1698 -10.1698 -9.9537 -9.9537 -9.7673 -9.7673 -8.9792 -8.9792 -7.9408 -7.9408 -7.7405 -7.7405 -4.8864 -4.8864 -4.7948 -4.7948 -3.3389 -3.3389 k = 0.4507 0.3195 0.1957 ( 3907 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5819 -60.5819 -60.5788 -60.5788 -60.3238 -60.3238 -60.3211 -60.3211 -36.5971 -36.5971 -36.5870 -36.5870 -35.9895 -35.9895 -35.9854 -35.9854 -29.6372 -29.6372 -29.5444 -29.5444 -28.7431 -28.7431 -28.6266 -28.6266 -28.3186 -28.3186 -28.1826 -28.1826 -27.7911 -27.7911 -27.6592 -27.6592 -19.0836 -19.0836 -19.0381 -19.0381 -14.1977 -14.1977 -14.1260 -14.1260 -11.7480 -11.7480 -11.2495 -11.2495 -10.7388 -10.7388 -10.4326 -10.4326 -10.1570 -10.1570 -9.8921 -9.8921 -9.7264 -9.7264 -8.8677 -8.8677 -7.9470 -7.9470 -7.6924 -7.6924 -4.9554 -4.9554 -4.8564 -4.8564 -3.4478 -3.4478 k = 0.4458 0.3385 0.2153 ( 3907 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5800 -60.5800 -60.5763 -60.5763 -60.3242 -60.3242 -60.3208 -60.3208 -36.5990 -36.5990 -36.5877 -36.5877 -35.9973 -35.9973 -35.9928 -35.9928 -29.6427 -29.6427 -29.5418 -29.5418 -28.7611 -28.7611 -28.6331 -28.6331 -28.3380 -28.3380 -28.1957 -28.1957 -27.7962 -27.7962 -27.6545 -27.6545 -19.0499 -19.0499 -18.9958 -18.9958 -14.1652 -14.1652 -14.0820 -14.0820 -11.8642 -11.8642 -11.3170 -11.3170 -10.7382 -10.7382 -10.4090 -10.4090 -10.1421 -10.1421 -9.8265 -9.8265 -9.6823 -9.6823 -8.7618 -8.7618 -7.9539 -7.9539 -7.6355 -7.6355 -5.0281 -5.0281 -4.9243 -4.9243 -3.5527 -3.5527 k = 0.4408 0.3574 0.2349 ( 3915 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5783 -60.5783 -60.5739 -60.5739 -60.3250 -60.3250 -60.3212 -60.3212 -36.6010 -36.6010 -36.5885 -36.5885 -36.0058 -36.0058 -36.0009 -36.0009 -29.6484 -29.6484 -29.5398 -29.5398 -28.7800 -28.7800 -28.6410 -28.6410 -28.3574 -28.3574 -28.2109 -28.2109 -27.8011 -27.8011 -27.6501 -27.6501 -19.0135 -19.0135 -18.9503 -18.9503 -14.1315 -14.1315 -14.0348 -14.0348 -11.9802 -11.9802 -11.3859 -11.3859 -10.7400 -10.7400 -10.3820 -10.3820 -10.1241 -10.1241 -9.7579 -9.7579 -9.6350 -9.6350 -8.6628 -8.6628 -7.9615 -7.9615 -7.5690 -7.5690 -5.1043 -5.1043 -4.9981 -4.9981 -3.6528 -3.6528 k = 0.4359 0.3764 0.2545 ( 3913 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5760 -60.5760 -60.5711 -60.5711 -60.3255 -60.3255 -60.3209 -60.3209 -36.6030 -36.6030 -36.5893 -36.5893 -36.0148 -36.0148 -36.0095 -36.0095 -29.6538 -29.6538 -29.5381 -29.5381 -28.7994 -28.7994 -28.6499 -28.6499 -28.3763 -28.3763 -28.2277 -28.2277 -27.8056 -27.8056 -27.6458 -27.6458 -18.9744 -18.9744 -18.9018 -18.9018 -14.0971 -14.0971 -13.9844 -13.9844 -12.0949 -12.0949 -11.4554 -11.4554 -10.7441 -10.7441 -10.3520 -10.3520 -10.1016 -10.1016 -9.6868 -9.6868 -9.5844 -9.5844 -8.5718 -8.5718 -7.9696 -7.9696 -7.4918 -7.4918 -5.1834 -5.1834 -5.0769 -5.0769 -3.7475 -3.7475 k = 0.4310 0.3953 0.2740 ( 3905 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5737 -60.5737 -60.5679 -60.5679 -60.3260 -60.3260 -60.3206 -60.3206 -36.6052 -36.6052 -36.5900 -36.5900 -36.0244 -36.0244 -36.0187 -36.0187 -29.6594 -29.6594 -29.5369 -29.5369 -28.8195 -28.8195 -28.6601 -28.6601 -28.3943 -28.3943 -28.2459 -28.2459 -27.8098 -27.8098 -27.6416 -27.6416 -18.9328 -18.9328 -18.8504 -18.8504 -14.0629 -14.0629 -13.9312 -13.9312 -12.2074 -12.2074 -11.5249 -11.5249 -10.7504 -10.7504 -10.3207 -10.3207 -10.0741 -10.0741 -9.6136 -9.6136 -9.5304 -9.5304 -8.4895 -8.4895 -7.9778 -7.9778 -7.4036 -7.4036 -5.2656 -5.2656 -5.1597 -5.1597 -3.8368 -3.8368 k = 0.4261 0.4143 0.2936 ( 3907 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5712 -60.5712 -60.5647 -60.5647 -60.3267 -60.3267 -60.3204 -60.3204 -36.6074 -36.6074 -36.5909 -36.5909 -36.0347 -36.0347 -36.0286 -36.0286 -29.6651 -29.6651 -29.5364 -29.5364 -28.8404 -28.8404 -28.6718 -28.6718 -28.4114 -28.4114 -28.2654 -28.2654 -27.8140 -27.8140 -27.6377 -27.6377 -18.8890 -18.8890 -18.7965 -18.7965 -14.0301 -14.0301 -13.8754 -13.8754 -12.3169 -12.3169 -11.5944 -11.5944 -10.7589 -10.7589 -10.2895 -10.2895 -10.0409 -10.0409 -9.5401 -9.5401 -9.4724 -9.4724 -8.4164 -8.4164 -7.9864 -7.9864 -7.3045 -7.3045 -5.3511 -5.3511 -5.2451 -5.2451 -3.9208 -3.9208 k = 0.4211 0.4332 0.3132 ( 3901 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5683 -60.5683 -60.5610 -60.5610 -60.3270 -60.3270 -60.3202 -60.3202 -36.6097 -36.6097 -36.5917 -36.5917 -36.0453 -36.0453 -36.0387 -36.0387 -29.6707 -29.6707 -29.5366 -29.5366 -28.8617 -28.8617 -28.6849 -28.6849 -28.4269 -28.4269 -28.2856 -28.2856 -27.8181 -27.8181 -27.6334 -27.6334 -18.8428 -18.8428 -18.7401 -18.7401 -13.9996 -13.9996 -13.8171 -13.8171 -12.4221 -12.4221 -11.6631 -11.6631 -10.7694 -10.7694 -10.2593 -10.2593 -10.0014 -10.0014 -9.4684 -9.4684 -9.4084 -9.4084 -8.3522 -8.3522 -7.9945 -7.9945 -7.1948 -7.1948 -5.4402 -5.4402 -5.3309 -5.3309 -3.9995 -3.9995 k = 0.4162 0.4522 0.3328 ( 3895 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5654 -60.5654 -60.5571 -60.5571 -60.3278 -60.3278 -60.3201 -60.3201 -36.6120 -36.6120 -36.5925 -36.5925 -36.0564 -36.0564 -36.0495 -36.0495 -29.6764 -29.6764 -29.5374 -29.5374 -28.8836 -28.8836 -28.6994 -28.6994 -28.4410 -28.4410 -28.3065 -28.3065 -27.8222 -27.8222 -27.6295 -27.6295 -18.7945 -18.7945 -18.6815 -18.6815 -13.9735 -13.9735 -13.7566 -13.7566 -12.5220 -12.5220 -11.7303 -11.7303 -10.7816 -10.7816 -10.2306 -10.2306 -9.9558 -9.9558 -9.4010 -9.4010 -9.3365 -9.3365 -8.2964 -8.2964 -8.0019 -8.0019 -7.0759 -7.0759 -5.5335 -5.5335 -5.4156 -5.4156 -4.0736 -4.0736 k = 0.4113 0.4711 0.3523 ( 3899 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5625 -60.5625 -60.5534 -60.5534 -60.3290 -60.3290 -60.3202 -60.3202 -36.6145 -36.6145 -36.5935 -36.5935 -36.0683 -36.0683 -36.0609 -36.0609 -29.6822 -29.6822 -29.5391 -29.5391 -28.9065 -28.9065 -28.7158 -28.7158 -28.4537 -28.4537 -28.3277 -28.3277 -27.8268 -27.8268 -27.6262 -27.6262 -18.7443 -18.7443 -18.6211 -18.6211 -13.9534 -13.9534 -13.6943 -13.6943 -12.6151 -12.6151 -11.7955 -11.7955 -10.7953 -10.7953 -10.2035 -10.2035 -9.9050 -9.9050 -9.3384 -9.3384 -9.2575 -9.2575 -8.2489 -8.2489 -8.0076 -8.0076 -6.9491 -6.9491 -5.6308 -5.6308 -5.4978 -5.4978 -4.1435 -4.1435 k = 0.4063 0.4900 0.3719 ( 3899 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5595 -60.5595 -60.5494 -60.5494 -60.3300 -60.3300 -60.3201 -60.3201 -36.6170 -36.6170 -36.5943 -36.5943 -36.0804 -36.0804 -36.0727 -36.0727 -29.6879 -29.6879 -29.5414 -29.5414 -28.9299 -28.9299 -28.7333 -28.7333 -28.4647 -28.4647 -28.3483 -28.3483 -27.8313 -27.8313 -27.6229 -27.6229 -18.6922 -18.6922 -18.5588 -18.5588 -13.9414 -13.9414 -13.6305 -13.6305 -12.7000 -12.7000 -11.8577 -11.8577 -10.8101 -10.8101 -10.1775 -10.1775 -9.8500 -9.8500 -9.2790 -9.2790 -9.1736 -9.1736 -8.2090 -8.2090 -8.0102 -8.0102 -6.8162 -6.8162 -5.7308 -5.7308 -5.5765 -5.5765 -4.2097 -4.2097 k = 0.4014 0.5090 0.3915 ( 3895 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5564 -60.5564 -60.5452 -60.5452 -60.3309 -60.3309 -60.3199 -60.3199 -36.6194 -36.6194 -36.5950 -36.5950 -36.0931 -36.0931 -36.0849 -36.0849 -29.6935 -29.6935 -29.5443 -29.5443 -28.9538 -28.9538 -28.7521 -28.7521 -28.4742 -28.4742 -28.3685 -28.3685 -27.8363 -27.8363 -27.6199 -27.6199 -18.6382 -18.6382 -18.4951 -18.4951 -13.9395 -13.9395 -13.5655 -13.5655 -12.7751 -12.7751 -11.9158 -11.9158 -10.8260 -10.8260 -10.1523 -10.1523 -9.7915 -9.7915 -9.2225 -9.2225 -9.0866 -9.0866 -8.1767 -8.1767 -8.0083 -8.0083 -6.6795 -6.6795 -5.8320 -5.8320 -5.6510 -5.6510 -4.2728 -4.2728 k = 0.3965 0.5279 0.4111 ( 3887 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5528 -60.5528 -60.5408 -60.5408 -60.3320 -60.3320 -60.3193 -60.3193 -36.6218 -36.6218 -36.5955 -36.5955 -36.1062 -36.1062 -36.0975 -36.0975 -29.6988 -29.6988 -29.5479 -29.5479 -28.9784 -28.9784 -28.7721 -28.7721 -28.4824 -28.4824 -28.3873 -28.3873 -27.8417 -27.8417 -27.6170 -27.6170 -18.5826 -18.5826 -18.4301 -18.4301 -13.9499 -13.9499 -13.5001 -13.5001 -12.8390 -12.8390 -11.9684 -11.9684 -10.8428 -10.8428 -10.1275 -10.1275 -9.7310 -9.7310 -9.1689 -9.1689 -8.9978 -8.9978 -8.1514 -8.1514 -8.0005 -8.0005 -6.5431 -6.5431 -5.9312 -5.9312 -5.7199 -5.7199 -4.3331 -4.3331 k = 0.3916 0.5469 0.4306 ( 3891 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5495 -60.5495 -60.5364 -60.5364 -60.3331 -60.3331 -60.3192 -60.3192 -36.6242 -36.6242 -36.5961 -36.5961 -36.1197 -36.1197 -36.1105 -36.1105 -29.7043 -29.7043 -29.5523 -29.5523 -29.0037 -29.0037 -28.7933 -28.7933 -28.4901 -28.4901 -28.4045 -28.4045 -27.8476 -27.8476 -27.6145 -27.6145 -18.5253 -18.5253 -18.3641 -18.3641 -13.9739 -13.9739 -13.4357 -13.4357 -12.8913 -12.8913 -12.0142 -12.0142 -10.8603 -10.8603 -10.1030 -10.1030 -9.6697 -9.6697 -9.1194 -9.1194 -8.9086 -8.9086 -8.1319 -8.1319 -7.9865 -7.9865 -6.4168 -6.4168 -6.0219 -6.0219 -5.7804 -5.7804 -4.3911 -4.3911 k = 0.3866 0.5658 0.4502 ( 3891 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5461 -60.5461 -60.5319 -60.5319 -60.3344 -60.3344 -60.3192 -60.3192 -36.6266 -36.6266 -36.5966 -36.5966 -36.1336 -36.1336 -36.1238 -36.1238 -29.7095 -29.7095 -29.5573 -29.5573 -29.0297 -29.0297 -28.8154 -28.8154 -28.4974 -28.4974 -28.4190 -28.4190 -27.8538 -27.8538 -27.6122 -27.6122 -18.4666 -18.4666 -18.2973 -18.2973 -14.0118 -14.0118 -13.3739 -13.3739 -12.9312 -12.9312 -12.0514 -12.0514 -10.8783 -10.8783 -10.0785 -10.0785 -9.6088 -9.6088 -9.0744 -9.0744 -8.8197 -8.8197 -8.1149 -8.1149 -7.9672 -7.9672 -6.3320 -6.3320 -6.0818 -6.0818 -5.8236 -5.8236 -4.4467 -4.4467 k = 0.3817 0.5848 0.4698 ( 3893 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5427 -60.5427 -60.5272 -60.5272 -60.3357 -60.3357 -60.3192 -60.3192 -36.6290 -36.6290 -36.5969 -36.5969 -36.1477 -36.1477 -36.1374 -36.1374 -29.7146 -29.7146 -29.5629 -29.5629 -29.0562 -29.0562 -28.8384 -28.8384 -28.5051 -28.5051 -28.4302 -28.4302 -27.8604 -27.8604 -27.6103 -27.6103 -18.4063 -18.4063 -18.2298 -18.2298 -14.0627 -14.0627 -13.3183 -13.3183 -12.9577 -12.9577 -12.0785 -12.0785 -10.8967 -10.8967 -10.0538 -10.0538 -9.5496 -9.5496 -9.0353 -9.0353 -8.7325 -8.7325 -8.0971 -8.0971 -7.9437 -7.9437 -6.3435 -6.3435 -6.0828 -6.0828 -5.8226 -5.8226 -4.4995 -4.4995 k = 0.3768 0.6037 0.4894 ( 3895 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5396 -60.5396 -60.5225 -60.5225 -60.3372 -60.3372 -60.3193 -60.3193 -36.6313 -36.6313 -36.5971 -36.5971 -36.1622 -36.1622 -36.1513 -36.1513 -29.7194 -29.7194 -29.5690 -29.5690 -29.0834 -29.0834 -28.8622 -28.8622 -28.5131 -28.5131 -28.4377 -28.4377 -27.8674 -27.8674 -27.6089 -27.6089 -18.3448 -18.3448 -18.1620 -18.1620 -14.1249 -14.1249 -13.2755 -13.2755 -12.9675 -12.9675 -12.0939 -12.0939 -10.9152 -10.9152 -10.0289 -10.0289 -9.4932 -9.4932 -9.0031 -9.0031 -8.6482 -8.6482 -8.0759 -8.0759 -7.9168 -7.9168 -6.4177 -6.4177 -6.0892 -6.0892 -5.7479 -5.7479 -4.5486 -4.5486 k = 0.3718 0.6226 0.5089 ( 3895 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5360 -60.5360 -60.5176 -60.5176 -60.3388 -60.3388 -60.3194 -60.3194 -36.6335 -36.6335 -36.5971 -36.5971 -36.1769 -36.1769 -36.1653 -36.1653 -29.7239 -29.7239 -29.5756 -29.5756 -29.1108 -29.1108 -28.8869 -28.8869 -28.5216 -28.5216 -28.4418 -28.4418 -27.8748 -27.8748 -27.6076 -27.6076 -18.2819 -18.2819 -18.0940 -18.0940 -14.1964 -14.1964 -13.2540 -13.2540 -12.9552 -12.9552 -12.0968 -12.0968 -10.9338 -10.9338 -10.0037 -10.0037 -9.4413 -9.4413 -8.9780 -8.9780 -8.5682 -8.5682 -8.0501 -8.0501 -7.8856 -7.8856 -6.5072 -6.5072 -6.1231 -6.1231 -5.6262 -5.6262 -4.5920 -4.5920 k = 0.3669 0.6416 0.5285 ( 3907 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5327 -60.5327 -60.5129 -60.5129 -60.3406 -60.3406 -60.3198 -60.3198 -36.6358 -36.6358 -36.5970 -36.5970 -36.1919 -36.1919 -36.1795 -36.1795 -29.7283 -29.7283 -29.5826 -29.5826 -29.1385 -29.1385 -28.9125 -28.9125 -28.5303 -28.5303 -28.4429 -28.4429 -27.8826 -27.8826 -27.6067 -27.6067 -18.2178 -18.2178 -18.0262 -18.0262 -14.2752 -14.2752 -13.2578 -13.2578 -12.9193 -12.9193 -12.0870 -12.0870 -10.9524 -10.9524 -9.9783 -9.9783 -9.3959 -9.3959 -8.9602 -8.9602 -8.4938 -8.4938 -8.0211 -8.0211 -7.8483 -7.8483 -6.5990 -6.5990 -6.1667 -6.1667 -5.4930 -5.4930 -4.6254 -4.6254 k = 0.3620 0.6605 0.5481 ( 3905 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5288 -60.5288 -60.5076 -60.5076 -60.3424 -60.3424 -60.3201 -60.3201 -36.6378 -36.6378 -36.5967 -36.5967 -36.2069 -36.2069 -36.1936 -36.1936 -29.7323 -29.7323 -29.5898 -29.5898 -29.1661 -29.1661 -28.9385 -28.9385 -28.5386 -28.5386 -28.4414 -28.4414 -27.8905 -27.8905 -27.6059 -27.6059 -18.1525 -18.1525 -17.9585 -17.9585 -14.3591 -14.3591 -13.2824 -13.2824 -12.8656 -12.8656 -12.0649 -12.0649 -10.9706 -10.9706 -9.9525 -9.9525 -9.3586 -9.3586 -8.9481 -8.9481 -8.4252 -8.4252 -7.9916 -7.9916 -7.8023 -7.8023 -6.6884 -6.6884 -6.2114 -6.2114 -5.3683 -5.3683 -4.6403 -4.6403 k = 0.3570 0.6795 0.5677 ( 3903 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5249 -60.5249 -60.5024 -60.5024 -60.3444 -60.3444 -60.3205 -60.3205 -36.6398 -36.6398 -36.5961 -36.5961 -36.2221 -36.2221 -36.2078 -36.2078 -29.7358 -29.7358 -29.5972 -29.5972 -29.1937 -29.1937 -28.9651 -28.9651 -28.5458 -28.5458 -28.4377 -28.4377 -27.8989 -27.8989 -27.6058 -27.6058 -18.0861 -18.0861 -17.8913 -17.8913 -14.4467 -14.4467 -13.3209 -13.3209 -12.8015 -12.8015 -12.0315 -12.0315 -10.9885 -10.9885 -9.9265 -9.9265 -9.3314 -9.3314 -8.9406 -8.9406 -8.3630 -8.3630 -7.9653 -7.9653 -7.7459 -7.7459 -6.7734 -6.7734 -6.2543 -6.2543 -5.2709 -5.2709 -4.6232 -4.6232 k = 0.3521 0.6984 0.5872 ( 3907 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5212 -60.5212 -60.4972 -60.4972 -60.3463 -60.3463 -60.3210 -60.3210 -36.6417 -36.6417 -36.5953 -36.5953 -36.2375 -36.2375 -36.2218 -36.2218 -29.7388 -29.7388 -29.6047 -29.6047 -29.2213 -29.2213 -28.9925 -28.9925 -28.5522 -28.5522 -28.4321 -28.4321 -27.9076 -27.9076 -27.6060 -27.6060 -18.0185 -18.0185 -17.8248 -17.8248 -14.5370 -14.5370 -13.3687 -13.3687 -12.7317 -12.7317 -11.9882 -11.9882 -11.0059 -11.0059 -9.9003 -9.9003 -9.3164 -9.3164 -8.9359 -8.9359 -8.3073 -8.3073 -7.9434 -7.9434 -7.6798 -7.6798 -6.8523 -6.8523 -6.2940 -6.2940 -5.2168 -5.2168 -4.5609 -4.5609 k = 0.3472 0.7174 0.6068 ( 3907 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5175 -60.5175 -60.4920 -60.4920 -60.3484 -60.3484 -60.3213 -60.3213 -36.6432 -36.6432 -36.5941 -36.5941 -36.2530 -36.2530 -36.2360 -36.2360 -29.7413 -29.7413 -29.6118 -29.6118 -29.2486 -29.2486 -29.0202 -29.0202 -28.5573 -28.5573 -28.4250 -28.4250 -27.9165 -27.9165 -27.6066 -27.6066 -17.9500 -17.9500 -17.7593 -17.7593 -14.6289 -14.6289 -13.4229 -13.4229 -12.6587 -12.6587 -11.9364 -11.9364 -11.0225 -11.0225 -9.8741 -9.8741 -9.3140 -9.3140 -8.9325 -8.9325 -8.2588 -8.2588 -7.9257 -7.9257 -7.6068 -7.6068 -6.9232 -6.9232 -6.3296 -6.3296 -5.2066 -5.2066 -4.4548 -4.4548 k = 0.3423 0.7363 0.6264 ( 3907 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5138 -60.5138 -60.4868 -60.4868 -60.3505 -60.3505 -60.3226 -60.3226 -36.6446 -36.6446 -36.5925 -36.5925 -36.2685 -36.2685 -36.2500 -36.2500 -29.7433 -29.7433 -29.6189 -29.6189 -29.2756 -29.2756 -29.0482 -29.0482 -28.5614 -28.5614 -28.4162 -28.4162 -27.9257 -27.9257 -27.6076 -27.6076 -17.8805 -17.8805 -17.6948 -17.6948 -14.7216 -14.7216 -13.4814 -13.4814 -12.5840 -12.5840 -11.8774 -11.8774 -11.0382 -11.0382 -9.8480 -9.8480 -9.3244 -9.3244 -8.9301 -8.9301 -8.2189 -8.2189 -7.9101 -7.9101 -7.5311 -7.5311 -6.9837 -6.9837 -6.3610 -6.3610 -5.2273 -5.2273 -4.3206 -4.3206 k = 0.3373 0.7553 0.6460 ( 3913 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5102 -60.5102 -60.4815 -60.4815 -60.3529 -60.3529 -60.3233 -60.3233 -36.6458 -36.6458 -36.5909 -36.5909 -36.2839 -36.2839 -36.2639 -36.2639 -29.7449 -29.7449 -29.6258 -29.6258 -29.3021 -29.3021 -29.0764 -29.0764 -28.5646 -28.5646 -28.4065 -28.4065 -27.9350 -27.9350 -27.6091 -27.6091 -17.8100 -17.8100 -17.6318 -17.6318 -14.8146 -14.8146 -13.5430 -13.5430 -12.5085 -12.5085 -11.8125 -11.8125 -11.0530 -11.0530 -9.8222 -9.8222 -9.3460 -9.3460 -8.9293 -8.9293 -8.1902 -8.1902 -7.8938 -7.8938 -7.4583 -7.4583 -7.0307 -7.0307 -6.3877 -6.3877 -5.2658 -5.2658 -4.1757 -4.1757 k = 0.3324 0.7742 0.6655 ( 3913 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5066 -60.5066 -60.4762 -60.4762 -60.3552 -60.3552 -60.3239 -60.3239 -36.6466 -36.6466 -36.5888 -36.5888 -36.2994 -36.2994 -36.2776 -36.2776 -29.7457 -29.7457 -29.6320 -29.6320 -29.3280 -29.3280 -29.1045 -29.1045 -28.5669 -28.5669 -28.3956 -28.3956 -27.9444 -27.9444 -27.6111 -27.6111 -17.7387 -17.7387 -17.5702 -17.5702 -14.9076 -14.9076 -13.6062 -13.6062 -12.4328 -12.4328 -11.7428 -11.7428 -11.0665 -11.0665 -9.7971 -9.7971 -9.3769 -9.3769 -8.9311 -8.9311 -8.1758 -8.1758 -7.8732 -7.8732 -7.3957 -7.3957 -7.0585 -7.0585 -6.4097 -6.4097 -5.3141 -5.3141 -4.0356 -4.0356 k = 0.3275 0.7931 0.6851 ( 3903 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5026 -60.5026 -60.4708 -60.4708 -60.3576 -60.3576 -60.3245 -60.3245 -36.6471 -36.6471 -36.5863 -36.5863 -36.3147 -36.3147 -36.2908 -36.2908 -29.7459 -29.7459 -29.6375 -29.6375 -29.3530 -29.3530 -29.1325 -29.1325 -28.5684 -28.5684 -28.3838 -28.3838 -27.9538 -27.9538 -27.6129 -27.6129 -17.6664 -17.6664 -17.5102 -17.5102 -15.0000 -15.0000 -13.6703 -13.6703 -12.3574 -12.3574 -11.6690 -11.6690 -11.0785 -11.0785 -9.7730 -9.7730 -9.4148 -9.4148 -8.9364 -8.9364 -8.1773 -8.1773 -7.8463 -7.8463 -7.3530 -7.3530 -7.0593 -7.0593 -6.4267 -6.4267 -5.3674 -5.3674 -3.9183 -3.9183 k = 0.3225 0.8121 0.7047 ( 3901 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4990 -60.4990 -60.4655 -60.4655 -60.3601 -60.3601 -60.3251 -60.3251 -36.6474 -36.6474 -36.5836 -36.5836 -36.3301 -36.3301 -36.3038 -36.3038 -29.7456 -29.7456 -29.6425 -29.6425 -29.3773 -29.3773 -29.1603 -29.1603 -28.5696 -28.5696 -28.3710 -28.3710 -27.9633 -27.9633 -27.6155 -27.6155 -17.5936 -17.5936 -17.4521 -17.4521 -15.0918 -15.0918 -13.7344 -13.7344 -12.2829 -12.2829 -11.5922 -11.5922 -11.0887 -11.0887 -9.7510 -9.7510 -9.4576 -9.4576 -8.9458 -8.9458 -8.1942 -8.1942 -7.8131 -7.8131 -7.3351 -7.3351 -7.0305 -7.0305 -6.4393 -6.4393 -5.4234 -5.4234 -3.8398 -3.8398 k = 0.3176 0.8310 0.7243 ( 3901 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4954 -60.4954 -60.4605 -60.4605 -60.3628 -60.3628 -60.3259 -60.3259 -36.6473 -36.6473 -36.5805 -36.5805 -36.3453 -36.3453 -36.3164 -36.3164 -29.7446 -29.7446 -29.6468 -29.6468 -29.4007 -29.4007 -29.1881 -29.1881 -28.5704 -28.5704 -28.3574 -28.3574 -27.9728 -27.9728 -27.6186 -27.6186 -17.5205 -17.5205 -17.3959 -17.3959 -15.1828 -15.1828 -13.7979 -13.7979 -12.2098 -12.2098 -11.5132 -11.5132 -11.0966 -11.0966 -9.7324 -9.7324 -9.5025 -9.5025 -8.9596 -8.9596 -8.2239 -8.2239 -7.7752 -7.7752 -7.3352 -7.3352 -6.9813 -6.9813 -6.4473 -6.4473 -5.4803 -5.4803 -3.7937 -3.7937 k = 0.3127 0.8500 0.7438 ( 3913 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4922 -60.4922 -60.4554 -60.4554 -60.3656 -60.3656 -60.3268 -60.3268 -36.6471 -36.6471 -36.5772 -36.5772 -36.3605 -36.3605 -36.3288 -36.3288 -29.7433 -29.7433 -29.6506 -29.6506 -29.4235 -29.4235 -29.2153 -29.2153 -28.5712 -28.5712 -28.3436 -28.3436 -27.9824 -27.9824 -27.6226 -27.6226 -17.4474 -17.4474 -17.3415 -17.3415 -15.2730 -15.2730 -13.8602 -13.8602 -12.1387 -12.1387 -11.4333 -11.4333 -11.1016 -11.1016 -9.7208 -9.7208 -9.5458 -9.5458 -8.9773 -8.9773 -8.2635 -8.2635 -7.7349 -7.7349 -7.3434 -7.3434 -6.9238 -6.9238 -6.4509 -6.4509 -5.5370 -5.5370 -3.7658 -3.7658 k = 0.3078 0.8689 0.7634 ( 3917 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4890 -60.4890 -60.4504 -60.4504 -60.3684 -60.3684 -60.3277 -60.3277 -36.6465 -36.6465 -36.5734 -36.5734 -36.3754 -36.3754 -36.3407 -36.3407 -29.7414 -29.7414 -29.6535 -29.6535 -29.4450 -29.4450 -29.2419 -29.2419 -28.5719 -28.5719 -28.3285 -28.3285 -27.9919 -27.9919 -27.6268 -27.6268 -17.3754 -17.3754 -17.2880 -17.2880 -15.3622 -15.3622 -13.9204 -13.9204 -12.0700 -12.0700 -11.3543 -11.3543 -11.1014 -11.1014 -9.7225 -9.7225 -9.5804 -9.5804 -8.9978 -8.9978 -8.3102 -8.3102 -7.6937 -7.6937 -7.3539 -7.3539 -6.8659 -6.8659 -6.4499 -6.4499 -5.5923 -5.5923 -3.7514 -3.7514 k = 0.3028 0.8879 0.7830 ( 3919 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4860 -60.4860 -60.4454 -60.4454 -60.3713 -60.3713 -60.3287 -60.3287 -36.6456 -36.6456 -36.5693 -36.5693 -36.3900 -36.3900 -36.3521 -36.3521 -29.7389 -29.7389 -29.6556 -29.6556 -29.4654 -29.4654 -29.2679 -29.2679 -28.5726 -28.5726 -28.3129 -28.3129 -28.0011 -28.0011 -27.6311 -27.6311 -17.3069 -17.3069 -17.2332 -17.2332 -15.4503 -15.4503 -13.9782 -13.9782 -12.0043 -12.0043 -11.2804 -11.2804 -11.0922 -11.0922 -9.7449 -9.7449 -9.5993 -9.5993 -9.0197 -9.0197 -8.3618 -8.3618 -7.6533 -7.6533 -7.3643 -7.3643 -6.8119 -6.8119 -6.4446 -6.4446 -5.6454 -5.6454 -3.7524 -3.7524 k = 0.2979 0.9068 0.8026 ( 3919 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4829 -60.4829 -60.4404 -60.4404 -60.3743 -60.3743 -60.3297 -60.3297 -36.6443 -36.6443 -36.5649 -36.5649 -36.4043 -36.4043 -36.3627 -36.3627 -29.7361 -29.7361 -29.6566 -29.6566 -29.4841 -29.4841 -29.2929 -29.2929 -28.5735 -28.5735 -28.2966 -28.2966 -28.0099 -28.0099 -27.6359 -27.6359 -17.2466 -17.2466 -17.1728 -17.1728 -15.5374 -15.5374 -14.0328 -14.0328 -11.9425 -11.9425 -11.2208 -11.2208 -11.0652 -11.0652 -9.7852 -9.7852 -9.6059 -9.6059 -9.0410 -9.0410 -8.4166 -8.4166 -7.6154 -7.6154 -7.3730 -7.3730 -6.7641 -6.7641 -6.4351 -6.4351 -5.6956 -5.6956 -3.7693 -3.7693 k = 0.2930 0.9257 0.8221 ( 3917 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4799 -60.4799 -60.4355 -60.4355 -60.3773 -60.3773 -60.3308 -60.3308 -36.6428 -36.6428 -36.5602 -36.5602 -36.4182 -36.4182 -36.3727 -36.3727 -29.7328 -29.7328 -29.6567 -29.6567 -29.5013 -29.5013 -29.3170 -29.3170 -28.5747 -28.5747 -28.2798 -28.2798 -28.0183 -28.0183 -27.6410 -27.6410 -17.1974 -17.1974 -17.1041 -17.1041 -15.6235 -15.6235 -14.0839 -14.0839 -11.8851 -11.8851 -11.1844 -11.1844 -11.0115 -11.0115 -9.8343 -9.8343 -9.6101 -9.6101 -9.0594 -9.0594 -8.4733 -8.4733 -7.5823 -7.5823 -7.3786 -7.3786 -6.7234 -6.7234 -6.4221 -6.4221 -5.7424 -5.7424 -3.7981 -3.7981 k = 0.2880 0.9447 0.8417 ( 3921 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4769 -60.4769 -60.4306 -60.4306 -60.3803 -60.3803 -60.3318 -60.3318 -36.6410 -36.6410 -36.5554 -36.5554 -36.4317 -36.4317 -36.3818 -36.3818 -29.7297 -29.7297 -29.6561 -29.6561 -29.5169 -29.5169 -29.3400 -29.3400 -28.5767 -28.5767 -28.2630 -28.2630 -28.0264 -28.0264 -27.6464 -27.6464 -17.1576 -17.1576 -17.0293 -17.0293 -15.7087 -15.7087 -14.1307 -14.1307 -11.8332 -11.8332 -11.1651 -11.1651 -10.9377 -10.9377 -9.8868 -9.8868 -9.6187 -9.6187 -9.0724 -9.0724 -8.5311 -8.5311 -7.5574 -7.5574 -7.3786 -7.3786 -6.6898 -6.6898 -6.4064 -6.4064 -5.7853 -5.7853 -3.8330 -3.8330 k = 0.2831 0.9636 0.8613 ( 3925 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4746 -60.4746 -60.4261 -60.4261 -60.3838 -60.3838 -60.3329 -60.3329 -36.6389 -36.6389 -36.5504 -36.5504 -36.4448 -36.4448 -36.3901 -36.3901 -29.7263 -29.7263 -29.6545 -29.6545 -29.5307 -29.5307 -29.3621 -29.3621 -28.5789 -28.5789 -28.2458 -28.2458 -28.0341 -28.0341 -27.6523 -27.6523 -17.1248 -17.1248 -16.9510 -16.9510 -15.7932 -15.7932 -14.1730 -14.1730 -11.7871 -11.7871 -11.1525 -11.1525 -10.8545 -10.8545 -9.9398 -9.9398 -9.6346 -9.6346 -9.0779 -9.0779 -8.5889 -8.5889 -7.5443 -7.5443 -7.3700 -7.3700 -6.6627 -6.6627 -6.3892 -6.3892 -5.8241 -5.8241 -3.8700 -3.8700 k = 0.2782 0.9826 0.8809 ( 3921 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4722 -60.4722 -60.4215 -60.4215 -60.3868 -60.3868 -60.3338 -60.3338 -36.6364 -36.6364 -36.5452 -36.5452 -36.4574 -36.4574 -36.3974 -36.3974 -29.7230 -29.7230 -29.6521 -29.6521 -29.5424 -29.5424 -29.3826 -29.3826 -28.5815 -28.5815 -28.2280 -28.2280 -28.0414 -28.0414 -27.6584 -27.6584 -17.0978 -17.0978 -16.8704 -16.8704 -15.8770 -15.8770 -14.2100 -14.2100 -11.7476 -11.7476 -11.1417 -11.1417 -10.7672 -10.7672 -9.9921 -9.9921 -9.6586 -9.6586 -9.0748 -9.0748 -8.6460 -8.6460 -7.5445 -7.5445 -7.3519 -7.3519 -6.6411 -6.6411 -6.3712 -6.3712 -5.8587 -5.8587 -3.9062 -3.9062 k = 0.2733 1.0015 0.9004 ( 3929 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4703 -60.4703 -60.4174 -60.4174 -60.3900 -60.3900 -60.3349 -60.3349 -36.6338 -36.6338 -36.5401 -36.5401 -36.4695 -36.4695 -36.4035 -36.4035 -29.7203 -29.7203 -29.6491 -29.6491 -29.5518 -29.5518 -29.4018 -29.4018 -28.5850 -28.5850 -28.2101 -28.2101 -28.0483 -28.0483 -27.6650 -27.6650 -17.0763 -17.0763 -16.7882 -16.7882 -15.9604 -15.9604 -14.2416 -14.2416 -11.7151 -11.7151 -11.1319 -11.1319 -10.6783 -10.6783 -10.0432 -10.0432 -9.6896 -9.6896 -9.0633 -9.0633 -8.7023 -8.7023 -7.5560 -7.5560 -7.3269 -7.3269 -6.6243 -6.6243 -6.3533 -6.3533 -5.8894 -5.8894 -3.9400 -3.9400 k = 0.2683 1.0205 0.9200 ( 3917 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4684 -60.4684 -60.4135 -60.4135 -60.3929 -60.3929 -60.3357 -60.3357 -36.6308 -36.6308 -36.5350 -36.5350 -36.4809 -36.4809 -36.4082 -36.4082 -29.7176 -29.7176 -29.6451 -29.6451 -29.5587 -29.5587 -29.4190 -29.4190 -28.5886 -28.5886 -28.1917 -28.1917 -28.0541 -28.0541 -27.6709 -27.6709 -17.0599 -17.0599 -16.7046 -16.7046 -16.0432 -16.0432 -14.2671 -14.2671 -11.6897 -11.6897 -11.1226 -11.1226 -10.5888 -10.5888 -10.0931 -10.0931 -9.7247 -9.7247 -9.0437 -9.0437 -8.7566 -8.7566 -7.5757 -7.5757 -7.2983 -7.2983 -6.6114 -6.6114 -6.3350 -6.3350 -5.9163 -5.9163 -3.9697 -3.9697 k = 0.2634 1.0394 0.9396 ( 3917 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4670 -60.4670 -60.4100 -60.4100 -60.3956 -60.3956 -60.3365 -60.3365 -36.6278 -36.6278 -36.5303 -36.5303 -36.4918 -36.4918 -36.4115 -36.4115 -29.7158 -29.7158 -29.6409 -29.6409 -29.5635 -29.5635 -29.4341 -29.4341 -28.5932 -28.5932 -28.1734 -28.1734 -28.0599 -28.0599 -27.6777 -27.6777 -17.0488 -17.0488 -16.6199 -16.6199 -16.1259 -16.1259 -14.2863 -14.2863 -11.6716 -11.6716 -11.1152 -11.1152 -10.4997 -10.4997 -10.1428 -10.1428 -9.7602 -9.7602 -9.0183 -9.0183 -8.8088 -8.8088 -7.6016 -7.6016 -7.2686 -7.2686 -6.6024 -6.6024 -6.3161 -6.3161 -5.9406 -5.9406 -3.9952 -3.9952 k = 0.2585 1.0584 0.9592 ( 3917 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4660 -60.4660 -60.4068 -60.4068 -60.3983 -60.3983 -60.3370 -60.3370 -36.6248 -36.6248 -36.5262 -36.5262 -36.5018 -36.5018 -36.4131 -36.4131 -29.7149 -29.7149 -29.6361 -29.6361 -29.5667 -29.5667 -29.4463 -29.4463 -28.5985 -28.5985 -28.1551 -28.1551 -28.0651 -28.0651 -27.6848 -27.6848 -17.0427 -17.0427 -16.5340 -16.5340 -16.2086 -16.2086 -14.2992 -14.2992 -11.6604 -11.6604 -11.1102 -11.1102 -10.4120 -10.4120 -10.1939 -10.1939 -9.7917 -9.7917 -8.9891 -8.9891 -8.8571 -8.8571 -7.6325 -7.6325 -7.2391 -7.2391 -6.5968 -6.5968 -6.2957 -6.2957 -5.9627 -5.9627 -4.0159 -4.0159 k = 0.2585 1.0584 0.9592 ( 3917 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4660 -60.4660 -60.4068 -60.4068 -60.3983 -60.3983 -60.3370 -60.3370 -36.6248 -36.6248 -36.5262 -36.5262 -36.5018 -36.5018 -36.4131 -36.4131 -29.7149 -29.7149 -29.6361 -29.6361 -29.5667 -29.5667 -29.4463 -29.4463 -28.5985 -28.5985 -28.1551 -28.1551 -28.0651 -28.0651 -27.6848 -27.6848 -17.0427 -17.0427 -16.5340 -16.5340 -16.2086 -16.2086 -14.2992 -14.2992 -11.6604 -11.6604 -11.1102 -11.1102 -10.4120 -10.4120 -10.1939 -10.1939 -9.7917 -9.7917 -8.9891 -8.9891 -8.8571 -8.8571 -7.6325 -7.6325 -7.2391 -7.2391 -6.5968 -6.5968 -6.2957 -6.2957 -5.9627 -5.9627 -4.0159 -4.0159 k = 0.2326 1.0551 0.9625 ( 3923 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4659 -60.4659 -60.4064 -60.4064 -60.3988 -60.3988 -60.3372 -60.3372 -36.6243 -36.6243 -36.5257 -36.5257 -36.5035 -36.5035 -36.4131 -36.4131 -29.7150 -29.7150 -29.6357 -29.6357 -29.5666 -29.5666 -29.4482 -29.4482 -28.5992 -28.5992 -28.1510 -28.1510 -28.0681 -28.0681 -27.6855 -27.6855 -17.0421 -17.0421 -16.5194 -16.5194 -16.2229 -16.2229 -14.3007 -14.3007 -11.6593 -11.6593 -11.1099 -11.1099 -10.3975 -10.3975 -10.2022 -10.2022 -9.7960 -9.7960 -8.9843 -8.9843 -8.8653 -8.8653 -7.6420 -7.6420 -7.2290 -7.2290 -6.5965 -6.5965 -6.2980 -6.2980 -5.9615 -5.9615 -4.0166 -4.0166 k = 0.2068 1.0519 0.9659 ( 3922 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4658 -60.4658 -60.4059 -60.4059 -60.3992 -60.3992 -60.3372 -60.3372 -36.6236 -36.6236 -36.5253 -36.5253 -36.5052 -36.5052 -36.4130 -36.4130 -29.7148 -29.7148 -29.6362 -29.6362 -29.5650 -29.5650 -29.4507 -29.4507 -28.5999 -28.5999 -28.1477 -28.1477 -28.0699 -28.0699 -27.6864 -27.6864 -17.0418 -17.0418 -16.5042 -16.5042 -16.2374 -16.2374 -14.3020 -14.3020 -11.6583 -11.6583 -11.1097 -11.1097 -10.3842 -10.3842 -10.2093 -10.2093 -9.7999 -9.7999 -8.9792 -8.9792 -8.8728 -8.8728 -7.6576 -7.6576 -7.2115 -7.2115 -6.5988 -6.5988 -6.3028 -6.3028 -5.9573 -5.9573 -4.0113 -4.0113 k = 0.1809 1.0486 0.9692 ( 3926 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4658 -60.4658 -60.4055 -60.4055 -60.3996 -60.3996 -60.3373 -60.3373 -36.6230 -36.6230 -36.5251 -36.5251 -36.5068 -36.5068 -36.4129 -36.4129 -29.7145 -29.7145 -29.6375 -29.6375 -29.5622 -29.5622 -29.4538 -29.4538 -28.6005 -28.6005 -28.1455 -28.1455 -28.0704 -28.0704 -27.6877 -27.6877 -17.0417 -17.0417 -16.4886 -16.4886 -16.2522 -16.2522 -14.3030 -14.3030 -11.6575 -11.6575 -11.1095 -11.1095 -10.3726 -10.3726 -10.2149 -10.2149 -9.8034 -9.8034 -8.9740 -8.9740 -8.8800 -8.8800 -7.6769 -7.6769 -7.1893 -7.1893 -6.6037 -6.6037 -6.3096 -6.3096 -5.9509 -5.9509 -4.0006 -4.0006 k = 0.1551 1.0453 0.9726 ( 3922 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4655 -60.4655 -60.4049 -60.4049 -60.4000 -60.4000 -60.3376 -60.3376 -36.6223 -36.6223 -36.5249 -36.5249 -36.5083 -36.5083 -36.4125 -36.4125 -29.7139 -29.7139 -29.6395 -29.6395 -29.5582 -29.5582 -29.4571 -29.4571 -28.6011 -28.6011 -28.1441 -28.1441 -28.0696 -28.0696 -27.6889 -27.6889 -17.0417 -17.0417 -16.4728 -16.4728 -16.2672 -16.2672 -14.3038 -14.3038 -11.6569 -11.6569 -11.1095 -11.1095 -10.3628 -10.3628 -10.2191 -10.2191 -9.8064 -9.8064 -8.9683 -8.9683 -8.8867 -8.8867 -7.6974 -7.6974 -7.1645 -7.1645 -6.6108 -6.6108 -6.3173 -6.3173 -5.9429 -5.9429 -3.9849 -3.9849 k = 0.1292 1.0421 0.9760 ( 3917 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4654 -60.4654 -60.4044 -60.4044 -60.4003 -60.4003 -60.3375 -60.3375 -36.6216 -36.6216 -36.5249 -36.5249 -36.5095 -36.5095 -36.4122 -36.4122 -29.7131 -29.7131 -29.6416 -29.6416 -29.5536 -29.5536 -29.4609 -29.4609 -28.6015 -28.6015 -28.1438 -28.1438 -28.0679 -28.0679 -27.6900 -27.6900 -17.0418 -17.0418 -16.4568 -16.4568 -16.2824 -16.2824 -14.3045 -14.3045 -11.6565 -11.6565 -11.1093 -11.1093 -10.3552 -10.3552 -10.2218 -10.2218 -9.8090 -9.8090 -8.9622 -8.9622 -8.8933 -8.8933 -7.7174 -7.7174 -7.1393 -7.1393 -6.6194 -6.6194 -6.3252 -6.3252 -5.9343 -5.9343 -3.9656 -3.9656 k = 0.1034 1.0388 0.9793 ( 3916 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4652 -60.4652 -60.4040 -60.4040 -60.4008 -60.4008 -60.3378 -60.3378 -36.6210 -36.6210 -36.5249 -36.5249 -36.5105 -36.5105 -36.4119 -36.4119 -29.7125 -29.7125 -29.6438 -29.6438 -29.5489 -29.5489 -29.4648 -29.4648 -28.6018 -28.6018 -28.1443 -28.1443 -28.0657 -28.0657 -27.6913 -27.6913 -17.0420 -17.0420 -16.4407 -16.4407 -16.2976 -16.2976 -14.3049 -14.3049 -11.6562 -11.6562 -11.1093 -11.1093 -10.3495 -10.3495 -10.2232 -10.2232 -9.8110 -9.8110 -8.9558 -8.9558 -8.8998 -8.8998 -7.7356 -7.7356 -7.1155 -7.1155 -6.6288 -6.6288 -6.3325 -6.3325 -5.9260 -5.9260 -3.9443 -3.9443 k = 0.0775 1.0356 0.9827 ( 3921 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4653 -60.4653 -60.4037 -60.4037 -60.4013 -60.4013 -60.3379 -60.3379 -36.6205 -36.6205 -36.5252 -36.5252 -36.5114 -36.5114 -36.4117 -36.4117 -29.7119 -29.7119 -29.6459 -29.6459 -29.5444 -29.5444 -29.4687 -29.4687 -28.6020 -28.6020 -28.1451 -28.1451 -28.0637 -28.0637 -27.6926 -27.6926 -17.0422 -17.0422 -16.4250 -16.4250 -16.3128 -16.3128 -14.3053 -14.3053 -11.6560 -11.6560 -11.1093 -11.1093 -10.3457 -10.3457 -10.2237 -10.2237 -9.8127 -9.8127 -8.9492 -8.9492 -8.9064 -8.9064 -7.7508 -7.7508 -7.0949 -7.0949 -6.6380 -6.6380 -6.3388 -6.3388 -5.9189 -5.9189 -3.9235 -3.9235 k = 0.0517 1.0323 0.9861 ( 3923 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4653 -60.4653 -60.4033 -60.4033 -60.4017 -60.4017 -60.3379 -60.3379 -36.6201 -36.6201 -36.5254 -36.5254 -36.5119 -36.5119 -36.4116 -36.4116 -29.7114 -29.7114 -29.6475 -29.6475 -29.5405 -29.5405 -29.4719 -29.4719 -28.6021 -28.6021 -28.1459 -28.1459 -28.0619 -28.0619 -27.6935 -27.6935 -17.0423 -17.0423 -16.4102 -16.4102 -16.3271 -16.3271 -14.3056 -14.3056 -11.6558 -11.6558 -11.1092 -11.1092 -10.3433 -10.3433 -10.2237 -10.2237 -9.8138 -9.8138 -8.9424 -8.9424 -8.9130 -8.9130 -7.7622 -7.7622 -7.0788 -7.0788 -6.6458 -6.6458 -6.3436 -6.3436 -5.9134 -5.9134 -3.9054 -3.9054 k = 0.0258 1.0291 0.9894 ( 3924 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4653 -60.4653 -60.4029 -60.4029 -60.4021 -60.4021 -60.3379 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-17.0425 -17.0425 -16.3924 -16.3924 -16.3446 -16.3446 -14.3059 -14.3059 -11.6558 -11.6558 -11.1093 -11.1093 -10.3417 -10.3417 -10.2235 -10.2235 -9.8147 -9.8147 -8.9314 -8.9314 -8.9238 -8.9238 -7.7716 -7.7716 -7.0650 -7.0650 -6.6527 -6.6527 -6.3475 -6.3475 -5.9088 -5.9088 -3.8887 -3.8887 k = 0.0000 1.0258 0.9928 ( 3926 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4654 -60.4654 -60.4028 -60.4028 -60.4024 -60.4024 -60.3379 -60.3379 -36.6198 -36.6198 -36.5255 -36.5255 -36.5124 -36.5124 -36.4114 -36.4114 -29.7111 -29.7111 -29.6489 -29.6489 -29.5370 -29.5370 -29.4749 -29.4749 -28.6023 -28.6023 -28.1465 -28.1465 -28.0604 -28.0604 -27.6943 -27.6943 -17.0425 -17.0425 -16.3924 -16.3924 -16.3446 -16.3446 -14.3059 -14.3059 -11.6558 -11.6558 -11.1093 -11.1093 -10.3417 -10.3417 -10.2235 -10.2235 -9.8147 -9.8147 -8.9314 -8.9314 -8.9238 -8.9238 -7.7716 -7.7716 -7.0650 -7.0650 -6.6527 -6.6527 -6.3475 -6.3475 -5.9088 -5.9088 -3.8887 -3.8887 k = 0.0049 1.0070 1.0122 ( 3924 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4652 -60.4652 -60.4026 -60.4026 -60.4023 -60.4023 -60.3379 -60.3379 -36.6200 -36.6200 -36.5256 -36.5256 -36.5125 -36.5125 -36.4115 -36.4115 -29.7125 -29.7125 -29.6480 -29.6480 -29.5378 -29.5378 -29.4736 -29.4736 -28.6028 -28.6028 -28.1479 -28.1479 -28.0605 -28.0605 -27.6948 -27.6948 -17.0419 -17.0419 -16.3962 -16.3962 -16.3383 -16.3383 -14.3034 -14.3034 -11.6544 -11.6544 -11.1151 -11.1151 -10.3412 -10.3412 -10.2227 -10.2227 -9.8143 -9.8143 -8.9365 -8.9365 -8.9227 -8.9227 -7.7733 -7.7733 -7.0705 -7.0705 -6.6476 -6.6476 -6.3451 -6.3451 -5.9064 -5.9064 -3.8996 -3.8996 k = 0.0098 0.9882 1.0317 ( 3930 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4650 -60.4650 -60.4024 -60.4024 -60.4022 -60.4022 -60.3378 -60.3378 -36.6205 -36.6205 -36.5260 -36.5260 -36.5130 -36.5130 -36.4119 -36.4119 -29.7168 -29.7168 -29.6458 -29.6458 -29.5404 -29.5404 -29.4704 -29.4704 -28.6047 -28.6047 -28.1520 -28.1520 -28.0613 -28.0613 -27.6968 -27.6968 -17.0403 -17.0403 -16.4040 -16.4040 -16.3234 -16.3234 -14.2962 -14.2962 -11.6506 -11.6506 -11.1321 -11.1321 -10.3400 -10.3400 -10.2206 -10.2206 -9.8133 -9.8133 -8.9489 -8.9489 -8.9225 -8.9225 -7.7784 -7.7784 -7.0865 -7.0865 -6.6332 -6.6332 -6.3382 -6.3382 -5.8993 -5.8993 -3.9291 -3.9291 k = 0.0147 0.9693 1.0512 ( 3932 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4646 -60.4646 -60.4022 -60.4022 -60.4019 -60.4019 -60.3377 -60.3377 -36.6213 -36.6213 -36.5266 -36.5266 -36.5137 -36.5137 -36.4126 -36.4126 -29.7230 -29.7230 -29.6427 -29.6427 -29.5440 -29.5440 -29.4656 -29.4656 -28.6078 -28.6078 -28.1587 -28.1587 -28.0623 -28.0623 -27.6997 -27.6997 -17.0376 -17.0376 -16.4119 -16.4119 -16.3036 -16.3036 -14.2841 -14.2841 -11.6454 -11.6454 -11.1582 -11.1582 -10.3387 -10.3387 -10.2167 -10.2167 -9.8120 -9.8120 -8.9675 -8.9675 -8.9234 -8.9234 -7.7866 -7.7866 -7.1109 -7.1109 -6.6116 -6.6116 -6.3274 -6.3274 -5.8874 -5.8874 -3.9696 -3.9696 k = 0.0196 0.9505 1.0706 ( 3934 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4641 -60.4641 -60.4018 -60.4018 -60.4016 -60.4016 -60.3375 -60.3375 -36.6223 -36.6223 -36.5274 -36.5274 -36.5147 -36.5147 -36.4134 -36.4134 -29.7307 -29.7307 -29.6396 -29.6396 -29.5479 -29.5479 -29.4597 -29.4597 -28.6121 -28.6121 -28.1675 -28.1675 -28.0639 -28.0639 -27.7038 -27.7038 -17.0339 -17.0339 -16.4183 -16.4183 -16.2808 -16.2808 -14.2673 -14.2673 -11.6412 -11.6412 -11.1898 -11.1898 -10.3378 -10.3378 -10.2111 -10.2111 -9.8111 -9.8111 -8.9921 -8.9921 -8.9253 -8.9253 -7.7974 -7.7974 -7.1416 -7.1416 -6.5854 -6.5854 -6.3139 -6.3139 -5.8708 -5.8708 -4.0135 -4.0135 k = 0.0245 0.9316 1.0901 ( 3932 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4634 -60.4634 -60.4013 -60.4013 -60.4011 -60.4011 -60.3372 -60.3372 -36.6236 -36.6236 -36.5285 -36.5285 -36.5159 -36.5159 -36.4146 -36.4146 -29.7393 -29.7393 -29.6373 -29.6373 -29.5514 -29.5514 -29.4531 -29.4531 -28.6174 -28.6174 -28.1785 -28.1785 -28.0663 -28.0663 -27.7092 -27.7092 -17.0291 -17.0291 -16.4226 -16.4226 -16.2555 -16.2555 -14.2458 -14.2458 -11.6418 -11.6418 -11.2216 -11.2216 -10.3378 -10.3378 -10.2039 -10.2039 -9.8110 -9.8110 -9.0219 -9.0219 -8.9277 -8.9277 -7.8106 -7.8106 -7.1769 -7.1769 -6.5571 -6.5571 -6.2988 -6.2988 -5.8497 -5.8497 -4.0548 -4.0548 k = 0.0294 0.9128 1.1096 ( 3932 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4624 -60.4624 -60.4007 -60.4007 -60.4005 -60.4005 -60.3370 -60.3370 -36.6252 -36.6252 -36.5299 -36.5299 -36.5173 -36.5173 -36.4159 -36.4159 -29.7486 -29.7486 -29.6360 -29.6360 -29.5541 -29.5541 -29.4461 -29.4461 -28.6240 -28.6240 -28.1911 -28.1911 -28.0694 -28.0694 -27.7155 -27.7155 -17.0233 -17.0233 -16.4247 -16.4247 -16.2281 -16.2281 -14.2197 -14.2197 -11.6533 -11.6533 -11.2470 -11.2470 -10.3389 -10.3389 -10.1956 -10.1956 -9.8123 -9.8123 -9.0564 -9.0564 -8.9305 -8.9305 -7.8257 -7.8257 -7.2157 -7.2157 -6.5284 -6.5284 -6.2834 -6.2834 -5.8245 -5.8245 -4.0893 -4.0893 k = 0.0343 0.8940 1.1290 ( 3928 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4613 -60.4613 -60.4000 -60.4000 -60.3995 -60.3995 -60.3365 -60.3365 -36.6271 -36.6271 -36.5315 -36.5315 -36.5189 -36.5189 -36.4175 -36.4175 -29.7585 -29.7585 -29.6363 -29.6363 -29.5557 -29.5557 -29.4391 -29.4391 -28.6315 -28.6315 -28.2053 -28.2053 -28.0738 -28.0738 -27.7227 -27.7227 -17.0166 -17.0166 -16.4245 -16.4245 -16.1990 -16.1990 -14.1892 -14.1892 -11.6814 -11.6814 -11.2584 -11.2584 -10.3413 -10.3413 -10.1869 -10.1869 -9.8153 -9.8153 -9.0942 -9.0942 -8.9334 -8.9334 -7.8424 -7.8424 -7.2569 -7.2569 -6.5012 -6.5012 -6.2684 -6.2684 -5.7959 -5.7959 -4.1136 -4.1136 k = 0.0392 0.8751 1.1485 ( 3926 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4603 -60.4603 -60.3992 -60.3992 -60.3988 -60.3988 -60.3359 -60.3359 -36.6293 -36.6293 -36.5335 -36.5335 -36.5207 -36.5207 -36.4194 -36.4194 -29.7689 -29.7689 -29.6386 -29.6386 -29.5559 -29.5559 -29.4320 -29.4320 -28.6399 -28.6399 -28.2209 -28.2209 -28.0792 -28.0792 -27.7311 -27.7311 -17.0089 -17.0089 -16.4221 -16.4221 -16.1683 -16.1683 -14.1543 -14.1543 -11.7291 -11.7291 -11.2521 -11.2521 -10.3448 -10.3448 -10.1786 -10.1786 -9.8197 -9.8197 -9.1344 -9.1344 -8.9365 -8.9365 -7.8607 -7.8607 -7.3001 -7.3001 -6.4772 -6.4772 -6.2541 -6.2541 -5.7649 -5.7649 -4.1257 -4.1257 k = 0.0441 0.8563 1.1680 ( 3934 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4591 -60.4591 -60.3984 -60.3984 -60.3980 -60.3980 -60.3356 -60.3356 -36.6318 -36.6318 -36.5360 -36.5360 -36.5227 -36.5227 -36.4216 -36.4216 -29.7797 -29.7797 -29.6427 -29.6427 -29.5549 -29.5549 -29.4252 -29.4252 -28.6494 -28.6494 -28.2380 -28.2380 -28.0860 -28.0860 -27.7408 -27.7408 -17.0005 -17.0005 -16.4174 -16.4174 -16.1365 -16.1365 -14.1153 -14.1153 -11.7947 -11.7947 -11.2295 -11.2295 -10.3498 -10.3498 -10.1717 -10.1717 -9.8254 -9.8254 -9.1757 -9.1757 -8.9396 -8.9396 -7.8804 -7.8804 -7.3447 -7.3447 -6.4583 -6.4583 -6.2401 -6.2401 -5.7325 -5.7325 -4.1240 -4.1240 k = 0.0490 0.8374 1.1874 ( 3936 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4577 -60.4577 -60.3975 -60.3975 -60.3971 -60.3971 -60.3353 -60.3353 -36.6345 -36.6345 -36.5388 -36.5388 -36.5247 -36.5247 -36.4240 -36.4240 -29.7906 -29.7906 -29.6481 -29.6481 -29.5529 -29.5529 -29.4186 -29.4186 -28.6597 -28.6597 -28.2560 -28.2560 -28.0936 -28.0936 -27.7516 -27.7516 -16.9911 -16.9911 -16.4105 -16.4105 -16.1037 -16.1037 -14.0722 -14.0722 -11.8739 -11.8739 -11.1937 -11.1937 -10.3563 -10.3563 -10.1669 -10.1669 -9.8318 -9.8318 -9.2166 -9.2166 -8.9429 -8.9429 -7.9013 -7.9013 -7.3901 -7.3901 -6.4462 -6.4462 -6.2254 -6.2254 -5.6994 -5.6994 -4.1080 -4.1080 k = 0.0539 0.8186 1.2069 ( 3940 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4561 -60.4561 -60.3965 -60.3965 -60.3961 -60.3961 -60.3349 -60.3349 -36.6376 -36.6376 -36.5420 -36.5420 -36.5268 -36.5268 -36.4267 -36.4267 -29.8017 -29.8017 -29.6546 -29.6546 -29.5504 -29.5504 -29.4124 -29.4124 -28.6706 -28.6706 -28.2749 -28.2749 -28.1023 -28.1023 -27.7632 -27.7632 -16.9810 -16.9810 -16.4016 -16.4016 -16.0702 -16.0702 -14.0254 -14.0254 -11.9631 -11.9631 -11.1485 -11.1485 -10.3648 -10.3648 -10.1649 -10.1649 -9.8379 -9.8379 -9.2557 -9.2557 -8.9463 -8.9463 -7.9234 -7.9234 -7.4362 -7.4362 -6.4422 -6.4422 -6.2091 -6.2091 -5.6663 -5.6663 -4.0776 -4.0776 k = 0.0588 0.7998 1.2264 ( 3938 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4544 -60.4544 -60.3954 -60.3954 -60.3950 -60.3950 -60.3343 -60.3343 -36.6408 -36.6408 -36.5456 -36.5456 -36.5289 -36.5289 -36.4295 -36.4295 -29.8128 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-11.0399 -11.0399 -10.3901 -10.3901 -10.1698 -10.1698 -9.8469 -9.8469 -9.3235 -9.3235 -8.9539 -8.9539 -7.9707 -7.9707 -7.5285 -7.5285 -6.4587 -6.4587 -6.1707 -6.1707 -5.6015 -5.6015 -3.9772 -3.9772 k = 0.0686 0.7621 1.2653 ( 3936 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4506 -60.4506 -60.3930 -60.3930 -60.3925 -60.3925 -60.3334 -60.3334 -36.6478 -36.6478 -36.5540 -36.5540 -36.5334 -36.5334 -36.4358 -36.4358 -29.8353 -29.8353 -29.6783 -29.6783 -29.5412 -29.5412 -29.3962 -29.3962 -28.7056 -28.7056 -28.3345 -28.3345 -28.1336 -28.1336 -27.8031 -27.8031 -16.9462 -16.9462 -16.3634 -16.3634 -15.9684 -15.9684 -13.8639 -13.8639 -12.2662 -12.2662 -10.9808 -10.9808 -10.4084 -10.4084 -10.1757 -10.1757 -9.8486 -9.8486 -9.3500 -9.3500 -8.9581 -8.9581 -7.9958 -7.9958 -7.5739 -7.5739 -6.4774 -6.4774 -6.1496 -6.1496 -5.5703 -5.5703 -3.9106 -3.9106 k = 0.0735 0.7432 1.2848 ( 3938 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4485 -60.4485 -60.3917 -60.3917 -60.3913 -60.3913 -60.3330 -60.3330 -36.6517 -36.6517 -36.5587 -36.5587 -36.5356 -36.5356 -36.4394 -36.4394 -29.8467 -29.8467 -29.6870 -29.6870 -29.5385 -29.5385 -29.3921 -29.3921 -28.7176 -28.7176 -28.3551 -28.3551 -28.1457 -28.1457 -27.8180 -27.8180 -16.9334 -16.9334 -16.3474 -16.3474 -15.9350 -15.9350 -13.8040 -13.8040 -12.3743 -12.3743 -10.9211 -10.9211 -10.4313 -10.4313 -10.1826 -10.1826 -9.8483 -9.8483 -9.3708 -9.3708 -8.9626 -8.9626 -8.0218 -8.0218 -7.6183 -7.6183 -6.5012 -6.5012 -6.1279 -6.1279 -5.5399 -5.5399 -3.8358 -3.8358 k = 0.0784 0.7244 1.3042 ( 3936 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4462 -60.4462 -60.3904 -60.3904 -60.3898 -60.3898 -60.3324 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-16.9055 -16.9055 -16.3115 -16.3115 -15.8705 -15.8705 -13.6765 -13.6765 -12.5955 -12.5955 -10.8101 -10.8101 -10.4909 -10.4909 -10.1927 -10.1927 -9.8404 -9.8404 -9.3944 -9.3944 -8.9714 -8.9714 -8.0754 -8.0754 -7.7018 -7.7018 -6.5583 -6.5583 -6.0836 -6.0836 -5.4809 -5.4809 -3.6749 -3.6749 k = 0.0882 0.6867 1.3432 ( 3936 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4413 -60.4413 -60.3875 -60.3875 -60.3868 -60.3868 -60.3314 -60.3314 -36.6641 -36.6641 -36.5744 -36.5744 -36.5429 -36.5429 -36.4511 -36.4511 -29.8797 -29.8797 -29.7145 -29.7145 -29.5327 -29.5327 -29.3844 -29.3844 -28.7524 -28.7524 -28.4163 -28.4163 -28.1853 -28.1853 -27.8667 -27.8667 -16.8906 -16.8906 -16.2919 -16.2919 -15.8400 -15.8400 -13.6097 -13.6097 -12.7072 -12.7072 -10.7648 -10.7648 -10.5258 -10.5258 -10.1932 -10.1932 -9.8321 -9.8321 -9.3981 -9.3981 -8.9753 -8.9753 -8.1031 -8.1031 -7.7398 -7.7398 -6.5892 -6.5892 -6.0612 -6.0612 -5.4521 -5.4521 -3.6008 -3.6008 k = 0.0931 0.6679 1.3626 ( 3940 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4388 -60.4388 -60.3860 -60.3860 -60.3853 -60.3853 -60.3309 -60.3309 -36.6686 -36.6686 -36.5803 -36.5803 -36.5455 -36.5455 -36.4554 -36.4554 -29.8905 -29.8905 -29.7241 -29.7241 -29.5318 -29.5318 -29.3837 -29.3837 -28.7633 -28.7633 -28.4363 -28.4363 -28.1995 -28.1995 -27.8843 -27.8843 -16.8750 -16.8750 -16.2716 -16.2716 -15.8109 -15.8109 -13.5417 -13.5417 -12.8189 -12.8189 -10.7320 -10.7320 -10.5611 -10.5611 -10.1895 -10.1895 -9.8200 -9.8200 -9.3975 -9.3975 -8.9782 -8.9782 -8.1314 -8.1314 -7.7743 -7.7743 -6.6203 -6.6203 -6.0383 -6.0383 -5.4236 -5.4236 -3.5379 -3.5379 k = 0.0980 0.6491 1.3821 ( 3940 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4361 -60.4361 -60.3844 -60.3844 -60.3835 -60.3835 -60.3303 -60.3303 -36.6731 -36.6731 -36.5863 -36.5863 -36.5482 -36.5482 -36.4598 -36.4598 -29.9011 -29.9011 -29.7337 -29.7337 -29.5316 -29.5316 -29.3840 -29.3840 -28.7735 -28.7735 -28.4556 -28.4556 -28.2139 -28.2139 -27.9022 -27.9022 -16.8588 -16.8588 -16.2506 -16.2506 -15.7834 -15.7834 -13.4735 -13.4735 -12.9290 -12.9290 -10.7175 -10.7175 -10.5917 -10.5917 -10.1815 -10.1815 -9.8032 -9.8032 -9.3937 -9.3937 -8.9796 -8.9796 -8.1604 -8.1604 -7.8042 -7.8042 -6.6506 -6.6506 -6.0145 -6.0145 -5.3948 -5.3948 -3.4795 -3.4795 k = 0.1029 0.6302 1.4016 ( 3944 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4335 -60.4335 -60.3830 -60.3830 -60.3818 -60.3818 -60.3298 -60.3298 -36.6778 -36.6778 -36.5926 -36.5926 -36.5510 -36.5510 -36.4645 -36.4645 -29.9116 -29.9116 -29.7433 -29.7433 -29.5322 -29.5322 -29.3854 -29.3854 -28.7828 -28.7828 -28.4743 -28.4743 -28.2286 -28.2286 -27.9206 -27.9206 -16.8418 -16.8418 -16.2292 -16.2292 -15.7577 -15.7577 -13.4076 -13.4076 -13.0352 -13.0352 -10.7272 -10.7272 -10.6119 -10.6119 -10.1708 -10.1708 -9.7811 -9.7811 -9.3878 -9.3878 -8.9789 -8.9789 -8.1902 -8.1902 -7.8285 -7.8285 -6.6796 -6.6796 -5.9893 -5.9893 -5.3655 -5.3655 -3.4179 -3.4179 k = 0.1078 0.6114 1.4210 ( 3942 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4308 -60.4308 -60.3814 -60.3814 -60.3800 -60.3800 -60.3291 -60.3291 -36.6825 -36.6825 -36.5990 -36.5990 -36.5538 -36.5538 -36.4693 -36.4693 -29.9218 -29.9218 -29.7529 -29.7529 -29.5334 -29.5334 -29.3877 -29.3877 -28.7912 -28.7912 -28.4923 -28.4923 -28.2435 -28.2435 -27.9392 -27.9392 -16.8241 -16.8241 -16.2076 -16.2076 -15.7338 -15.7338 -13.3535 -13.3535 -13.1278 -13.1278 -10.7570 -10.7570 -10.6240 -10.6240 -10.1590 -10.1590 -9.7536 -9.7536 -9.3807 -9.3807 -8.9756 -8.9756 -8.2212 -8.2212 -7.8461 -7.8461 -6.7064 -6.7064 -5.9621 -5.9621 -5.3350 -5.3350 -3.3496 -3.3496 k = 0.1127 0.5925 1.4405 ( 3940 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4280 -60.4280 -60.3798 -60.3798 -60.3781 -60.3781 -60.3286 -60.3286 -36.6873 -36.6873 -36.6055 -36.6055 -36.5567 -36.5567 -36.4742 -36.4742 -29.9317 -29.9317 -29.7625 -29.7625 -29.5354 -29.5354 -29.3911 -29.3911 -28.7985 -28.7985 -28.5093 -28.5093 -28.2583 -28.2583 -27.9581 -27.9581 -16.8056 -16.8056 -16.1858 -16.1858 -15.7120 -15.7120 -13.3518 -13.3518 -13.1665 -13.1665 -10.7966 -10.7966 -10.6359 -10.6359 -10.1488 -10.1488 -9.7216 -9.7216 -9.3733 -9.3733 -8.9693 -8.9693 -8.2536 -8.2536 -7.8559 -7.8559 -6.7306 -6.7306 -5.9324 -5.9324 -5.3031 -5.3031 -3.2735 -3.2735 k = 0.1176 0.5737 1.4600 ( 3944 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4252 -60.4252 -60.3783 -60.3783 -60.3763 -60.3763 -60.3280 -60.3280 -36.6921 -36.6921 -36.6121 -36.6121 -36.5596 -36.5596 -36.4792 -36.4792 -29.9413 -29.9413 -29.7720 -29.7720 -29.5382 -29.5382 -29.3955 -29.3955 -28.8050 -28.8050 -28.5255 -28.5255 -28.2734 -28.2734 -27.9772 -27.9772 -16.7864 -16.7864 -16.1643 -16.1643 -15.6923 -15.6923 -13.4260 -13.4260 -13.1278 -13.1278 -10.8399 -10.8399 -10.6517 -10.6517 -10.1420 -10.1420 -9.6869 -9.6869 -9.3659 -9.3659 -8.9599 -8.9599 -8.2875 -8.2875 -7.8572 -7.8572 -6.7517 -6.7517 -5.8999 -5.8999 -5.2696 -5.2696 -3.1897 -3.1897 k = 0.1225 0.5549 1.4794 ( 3944 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4223 -60.4223 -60.3767 -60.3767 -60.3744 -60.3744 -60.3275 -60.3275 -36.6970 -36.6970 -36.6189 -36.6189 -36.5626 -36.5626 -36.4843 -36.4843 -29.9506 -29.9506 -29.7815 -29.7815 -29.5418 -29.5418 -29.4009 -29.4009 -28.8104 -28.8104 -28.5407 -28.5407 -28.2883 -28.2883 -27.9966 -27.9966 -16.7662 -16.7662 -16.1429 -16.1429 -15.6748 -15.6748 -13.5254 -13.5254 -13.0625 -13.0625 -10.8839 -10.8839 -10.6716 -10.6716 -10.1393 -10.1393 -9.6518 -9.6518 -9.3584 -9.3584 -8.9480 -8.9480 -8.3228 -8.3228 -7.8488 -7.8488 -6.7694 -6.7694 -5.8637 -5.8637 -5.2339 -5.2339 -3.0981 -3.0981 k = 0.1275 0.5360 1.4989 ( 3946 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4195 -60.4195 -60.3752 -60.3752 -60.3726 -60.3726 -60.3271 -60.3271 -36.7019 -36.7019 -36.6259 -36.6259 -36.5656 -36.5656 -36.4896 -36.4896 -29.9597 -29.9597 -29.7911 -29.7911 -29.5462 -29.5462 -29.4072 -29.4072 -28.8148 -28.8148 -28.5547 -28.5547 -28.3031 -28.3031 -28.0162 -28.0162 -16.7452 -16.7452 -16.1219 -16.1219 -15.6594 -15.6594 -13.6302 -13.6302 -12.9905 -12.9905 -10.9272 -10.9272 -10.6952 -10.6952 -10.1411 -10.1411 -9.6189 -9.6189 -9.3502 -9.3502 -8.9342 -8.9342 -8.3593 -8.3593 -7.8307 -7.8307 -6.7834 -6.7834 -5.8233 -5.8233 -5.1958 -5.1958 -2.9992 -2.9992 k = 0.1324 0.5172 1.5184 ( 3942 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4164 -60.4164 -60.3735 -60.3735 -60.3708 -60.3708 -60.3267 -60.3267 -36.7067 -36.7067 -36.6328 -36.6328 -36.5684 -36.5684 -36.4949 -36.4949 -29.9681 -29.9681 -29.8006 -29.8006 -29.5511 -29.5511 -29.4143 -29.4143 -28.8181 -28.8181 -28.5673 -28.5673 -28.3176 -28.3176 -28.0354 -28.0354 -16.7233 -16.7233 -16.1014 -16.1014 -15.6461 -15.6461 -13.7359 -13.7359 -12.9163 -12.9163 -10.9688 -10.9688 -10.7220 -10.7220 -10.1471 -10.1471 -9.5906 -9.5906 -9.3407 -9.3407 -8.9196 -8.9196 -8.3966 -8.3966 -7.8024 -7.8024 -6.7933 -6.7933 -5.7783 -5.7783 -5.1551 -5.1551 -2.8933 -2.8933 k = 0.1373 0.4983 1.5378 ( 3938 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4134 -60.4134 -60.3717 -60.3717 -60.3690 -60.3690 -60.3261 -60.3261 -36.7113 -36.7113 -36.6398 -36.6398 -36.5713 -36.5713 -36.5002 -36.5002 -29.9761 -29.9761 -29.8099 -29.8099 -29.5568 -29.5568 -29.4219 -29.4219 -28.8204 -28.8204 -28.5788 -28.5788 -28.3319 -28.3319 -28.0549 -28.0549 -16.7004 -16.7004 -16.0815 -16.0815 -15.6350 -15.6350 -13.8412 -13.8412 -12.8415 -12.8415 -11.0081 -11.0081 -10.7512 -10.7512 -10.1569 -10.1569 -9.5685 -9.5685 -9.3292 -9.3292 -8.9055 -8.9055 -8.4343 -8.4343 -7.7644 -7.7644 -6.7993 -6.7993 -5.7282 -5.7282 -5.1117 -5.1117 -2.7810 -2.7810 k = 0.1422 0.4795 1.5573 ( 3938 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4104 -60.4104 -60.3701 -60.3701 -60.3673 -60.3673 -60.3257 -60.3257 -36.7159 -36.7159 -36.6468 -36.6468 -36.5741 -36.5741 -36.5056 -36.5056 -29.9837 -29.9837 -29.8192 -29.8192 -29.5632 -29.5632 -29.4303 -29.4303 -28.8220 -28.8220 -28.5890 -28.5890 -28.3458 -28.3458 -28.0743 -28.0743 -16.6766 -16.6766 -16.0622 -16.0622 -15.6259 -15.6259 -13.9456 -13.9456 -12.7669 -12.7669 -11.0447 -11.0447 -10.7824 -10.7824 -10.1702 -10.1702 -9.5530 -9.5530 -9.3160 -9.3160 -8.8932 -8.8932 -8.4722 -8.4722 -7.7171 -7.7171 -6.8012 -6.8012 -5.6728 -5.6728 -5.0658 -5.0658 -2.6627 -2.6627 k = 0.1471 0.4607 1.5768 ( 3940 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4074 -60.4074 -60.3686 -60.3686 -60.3654 -60.3654 -60.3254 -60.3254 -36.7205 -36.7205 -36.6538 -36.6538 -36.5770 -36.5770 -36.5110 -36.5110 -29.9910 -29.9910 -29.8285 -29.8285 -29.5703 -29.5703 -29.4391 -29.4391 -28.8228 -28.8228 -28.5980 -28.5980 -28.3595 -28.3595 -28.0937 -28.0937 -16.6517 -16.6517 -16.0438 -16.0438 -15.6189 -15.6189 -14.0487 -14.0487 -12.6932 -12.6932 -11.0783 -11.0783 -10.8154 -10.8154 -10.1864 -10.1864 -9.5434 -9.5434 -9.3016 -9.3016 -8.8838 -8.8838 -8.5097 -8.5097 -7.6615 -7.6615 -6.7993 -6.7993 -5.6118 -5.6118 -5.0174 -5.0174 -2.5389 -2.5389 k = 0.1520 0.4418 1.5962 ( 3938 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4044 -60.4044 -60.3671 -60.3671 -60.3636 -60.3636 -60.3250 -60.3250 -36.7250 -36.7250 -36.6608 -36.6608 -36.5798 -36.5798 -36.5164 -36.5164 -29.9978 -29.9978 -29.8376 -29.8376 -29.5778 -29.5778 -29.4481 -29.4481 -28.8230 -28.8230 -28.6056 -28.6056 -28.3728 -28.3728 -28.1129 -28.1129 -16.6257 -16.6257 -16.0260 -16.0260 -15.6138 -15.6138 -14.1502 -14.1502 -12.6206 -12.6206 -11.1086 -11.1086 -10.8495 -10.8495 -10.2052 -10.2052 -9.5385 -9.5385 -9.2872 -9.2872 -8.8778 -8.8778 -8.5464 -8.5464 -7.5988 -7.5988 -6.7935 -6.7935 -5.5451 -5.5451 -4.9666 -4.9666 -2.4099 -2.4099 k = 0.1569 0.4230 1.6157 ( 3932 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4012 -60.4012 -60.3657 -60.3657 -60.3614 -60.3614 -60.3248 -60.3248 -36.7293 -36.7293 -36.6676 -36.6676 -36.5825 -36.5825 -36.5218 -36.5218 -30.0037 -30.0037 -29.8466 -29.8466 -29.5858 -29.5858 -29.4575 -29.4575 -28.8225 -28.8225 -28.6119 -28.6119 -28.3856 -28.3856 -28.1318 -28.1318 -16.5986 -16.5986 -16.0090 -16.0090 -15.6104 -15.6104 -14.2500 -14.2500 -12.5495 -12.5495 -11.1353 -11.1353 -10.8847 -10.8847 -10.2262 -10.2262 -9.5369 -9.5369 -9.2738 -9.2738 -8.8757 -8.8757 -8.5819 -8.5819 -7.5306 -7.5306 -6.7842 -6.7842 -5.4729 -5.4729 -4.9138 -4.9138 -2.2762 -2.2762 k = 0.1618 0.4042 1.6352 ( 3930 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3982 -60.3982 -60.3643 -60.3643 -60.3595 -60.3595 -60.3245 -60.3245 -36.7334 -36.7334 -36.6744 -36.6744 -36.5851 -36.5851 -36.5271 -36.5271 -30.0094 -30.0094 -29.8556 -29.8556 -29.5941 -29.5941 -29.4669 -29.4669 -28.8216 -28.8216 -28.6169 -28.6169 -28.3980 -28.3980 -28.1505 -28.1505 -16.5704 -16.5704 -15.9929 -15.9929 -15.6088 -15.6088 -14.3480 -14.3480 -12.4804 -12.4804 -11.1584 -11.1584 -10.9204 -10.9204 -10.2489 -10.2489 -9.5374 -9.5374 -9.2622 -9.2622 -8.8776 -8.8776 -8.6160 -8.6160 -7.4582 -7.4582 -6.7718 -6.7718 -5.3955 -5.3955 -4.8593 -4.8593 -2.1384 -2.1384 k = 0.1667 0.3853 1.6546 ( 3932 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3952 -60.3952 -60.3629 -60.3629 -60.3578 -60.3578 -60.3244 -60.3244 -36.7374 -36.7374 -36.6812 -36.6812 -36.5876 -36.5876 -36.5324 -36.5324 -30.0146 -30.0146 -29.8644 -29.8644 -29.6028 -29.6028 -29.4764 -29.4764 -28.8204 -28.8204 -28.6208 -28.6208 -28.4099 -28.4099 -28.1690 -28.1690 -16.5410 -16.5410 -15.9775 -15.9775 -15.6087 -15.6087 -14.4442 -14.4442 -12.4136 -12.4136 -11.1780 -11.1780 -10.9562 -10.9562 -10.2731 -10.2731 -9.5393 -9.5393 -9.2530 -9.2530 -8.8834 -8.8834 -8.6484 -8.6484 -7.3835 -7.3835 -6.7568 -6.7568 -5.3132 -5.3132 -4.8035 -4.8035 -1.9971 -1.9971 k = 0.1716 0.3665 1.6741 ( 3926 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3921 -60.3921 -60.3614 -60.3614 -60.3558 -60.3558 -60.3245 -60.3245 -36.7412 -36.7412 -36.6877 -36.6877 -36.5899 -36.5899 -36.5376 -36.5376 -30.0192 -30.0192 -29.8731 -29.8731 -29.6114 -29.6114 -29.4856 -29.4856 -28.8187 -28.8187 -28.6234 -28.6234 -28.4211 -28.4211 -28.1870 -28.1870 -16.5103 -16.5103 -15.9629 -15.9629 -15.6101 -15.6101 -14.5382 -14.5382 -12.3492 -12.3492 -11.1942 -11.1942 -10.9915 -10.9915 -10.2985 -10.2985 -9.5415 -9.5415 -9.2465 -9.2465 -8.8923 -8.8923 -8.6789 -8.6789 -7.3076 -7.3076 -6.7393 -6.7393 -5.2267 -5.2267 -4.7467 -4.7467 -1.8526 -1.8526 k = 0.1765 0.3476 1.6936 ( 3924 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3889 -60.3889 -60.3602 -60.3602 -60.3540 -60.3540 -60.3247 -60.3247 -36.7449 -36.7449 -36.6942 -36.6942 -36.5921 -36.5921 -36.5426 -36.5426 -30.0233 -30.0233 -29.8818 -29.8818 -29.6201 -29.6201 -29.4948 -29.4948 -28.8169 -28.8169 -28.6250 -28.6250 -28.4318 -28.4318 -28.2047 -28.2047 -16.4783 -16.4783 -15.9490 -15.9490 -15.6127 -15.6127 -14.6303 -14.6303 -12.2876 -12.2876 -11.2078 -11.2078 -11.0253 -11.0253 -10.3248 -10.3248 -9.5438 -9.5438 -9.2429 -9.2429 -8.9038 -8.9038 -8.7076 -8.7076 -7.2322 -7.2322 -6.7202 -6.7202 -5.1368 -5.1368 -4.6896 -4.6896 -1.7057 -1.7057 k = 0.1814 0.3288 1.7130 ( 3918 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3859 -60.3859 -60.3588 -60.3588 -60.3523 -60.3523 -60.3246 -60.3246 -36.7482 -36.7482 -36.7004 -36.7004 -36.5941 -36.5941 -36.5475 -36.5475 -30.0268 -30.0268 -29.8901 -29.8901 -29.6287 -29.6287 -29.5037 -29.5037 -28.8148 -28.8148 -28.6256 -28.6256 -28.4417 -28.4417 -28.2220 -28.2220 -16.4451 -16.4451 -15.9358 -15.9358 -15.6166 -15.6166 -14.7202 -14.7202 -12.2290 -12.2290 -11.2200 -11.2200 -11.0562 -11.0562 -10.3519 -10.3519 -9.5458 -9.5458 -9.2423 -9.2423 -8.9170 -8.9170 -8.7344 -8.7344 -7.1581 -7.1581 -6.6997 -6.6997 -5.0445 -5.0445 -4.6327 -4.6327 -1.5569 -1.5569 k = 0.1863 0.3100 1.7325 ( 3916 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3830 -60.3830 -60.3578 -60.3578 -60.3506 -60.3506 -60.3248 -60.3248 -36.7512 -36.7512 -36.7065 -36.7065 -36.5960 -36.5960 -36.5523 -36.5523 -30.0299 -30.0299 -29.8983 -29.8983 -29.6371 -29.6371 -29.5122 -29.5122 -28.8126 -28.8126 -28.6253 -28.6253 -28.4511 -28.4511 -28.2388 -28.2388 -16.4106 -16.4106 -15.9232 -15.9232 -15.6214 -15.6214 -14.8079 -14.8079 -12.1735 -12.1735 -11.2332 -11.2332 -11.0816 -11.0816 -10.3797 -10.3797 -9.5470 -9.5470 -9.2449 -9.2449 -8.9311 -8.9311 -8.7594 -8.7594 -7.0865 -7.0865 -6.6784 -6.6784 -4.9511 -4.9511 -4.5765 -4.5765 -1.4066 -1.4066 k = 0.1912 0.2911 1.7520 ( 3922 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3804 -60.3804 -60.3568 -60.3568 -60.3490 -60.3490 -60.3251 -60.3251 -36.7541 -36.7541 -36.7123 -36.7123 -36.5976 -36.5976 -36.5571 -36.5571 -30.0325 -30.0325 -29.9064 -29.9064 -29.6454 -29.6454 -29.5206 -29.5206 -28.8105 -28.8105 -28.6243 -28.6243 -28.4598 -28.4598 -28.2551 -28.2551 -16.3749 -16.3749 -15.9112 -15.9112 -15.6273 -15.6273 -14.8935 -14.8935 -12.1212 -12.1212 -11.2504 -11.2504 -11.0986 -11.0986 -10.4081 -10.4081 -9.5475 -9.5475 -9.2506 -9.2506 -8.9455 -8.9455 -8.7832 -8.7832 -7.0183 -7.0183 -6.6568 -6.6568 -4.8578 -4.8578 -4.5215 -4.5215 -1.2552 -1.2552 k = 0.1961 0.2723 1.7714 ( 3928 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3778 -60.3778 -60.3560 -60.3560 -60.3476 -60.3476 -60.3255 -60.3255 -36.7568 -36.7568 -36.7180 -36.7180 -36.5992 -36.5992 -36.5617 -36.5617 -30.0347 -30.0347 -29.9144 -29.9144 -29.6534 -29.6534 -29.5286 -29.5286 -28.8085 -28.8085 -28.6228 -28.6228 -28.4677 -28.4677 -28.2711 -28.2711 -16.3377 -16.3377 -15.8998 -15.8998 -15.6339 -15.6339 -14.9767 -14.9767 -12.0722 -12.0722 -11.2736 -11.2736 -11.1051 -11.1051 -10.4370 -10.4370 -9.5470 -9.5470 -9.2594 -9.2594 -8.9588 -8.9588 -8.8056 -8.8056 -6.9539 -6.9539 -6.6354 -6.6354 -4.7659 -4.7659 -4.4683 -4.4683 -1.1030 -1.1030 k = 0.2010 0.2534 1.7909 ( 3930 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3753 -60.3753 -60.3554 -60.3554 -60.3462 -60.3462 -60.3261 -60.3261 -36.7590 -36.7590 -36.7234 -36.7234 -36.6004 -36.6004 -36.5660 -36.5660 -30.0362 -30.0362 -29.9219 -29.9219 -29.6608 -29.6608 -29.5360 -29.5360 -28.8063 -28.8063 -28.6207 -28.6207 -28.4748 -28.4748 -28.2862 -28.2862 -16.2993 -16.2993 -15.8889 -15.8889 -15.6410 -15.6410 -15.0575 -15.0575 -12.0262 -12.0262 -11.3024 -11.3024 -11.1015 -11.1015 -10.4663 -10.4663 -9.5452 -9.5452 -9.2709 -9.2709 -8.9707 -8.9707 -8.8267 -8.8267 -6.8939 -6.8939 -6.6147 -6.6147 -4.6768 -4.6768 -4.4174 -4.4174 -0.9503 -0.9503 k = 0.2059 0.2346 1.8104 ( 3928 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3729 -60.3729 -60.3550 -60.3550 -60.3448 -60.3448 -60.3266 -60.3266 -36.7609 -36.7609 -36.7284 -36.7284 -36.6015 -36.6015 -36.5701 -36.5701 -30.0372 -30.0372 -29.9291 -29.9291 -29.6676 -29.6676 -29.5428 -29.5428 -28.8042 -28.8042 -28.6183 -28.6183 -28.4810 -28.4810 -28.3005 -28.3005 -16.2595 -16.2595 -15.8784 -15.8784 -15.6486 -15.6486 -15.1358 -15.1358 -11.9829 -11.9829 -11.3351 -11.3351 -11.0897 -11.0897 -10.4959 -10.4959 -9.5421 -9.5421 -9.2849 -9.2849 -8.9808 -8.9808 -8.8466 -8.8466 -6.8385 -6.8385 -6.5950 -6.5950 -4.5919 -4.5919 -4.3695 -4.3695 -0.7977 -0.7977 k = 0.2108 0.2158 1.8298 ( 3930 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3706 -60.3706 -60.3546 -60.3546 -60.3435 -60.3435 -60.3272 -60.3272 -36.7624 -36.7624 -36.7332 -36.7332 -36.6023 -36.6023 -36.5740 -36.5740 -30.0378 -30.0378 -29.9360 -29.9360 -29.6739 -29.6739 -29.5490 -29.5490 -28.8021 -28.8021 -28.6157 -28.6157 -28.4864 -28.4864 -28.3141 -28.3141 -16.2185 -16.2185 -15.8683 -15.8683 -15.6565 -15.6565 -15.2115 -15.2115 -11.9420 -11.9420 -11.3702 -11.3702 -11.0717 -11.0717 -10.5261 -10.5261 -9.5377 -9.5377 -9.3010 -9.3010 -8.9889 -8.9889 -8.8654 -8.8654 -6.7881 -6.7881 -6.5769 -6.5769 -4.5125 -4.5125 -4.3250 -4.3250 -0.6462 -0.6462 k = 0.2157 0.1969 1.8493 ( 3932 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3686 -60.3686 -60.3542 -60.3542 -60.3422 -60.3422 -60.3280 -60.3280 -36.7636 -36.7636 -36.7377 -36.7377 -36.6028 -36.6028 -36.5777 -36.5777 -30.0379 -30.0379 -29.9425 -29.9425 -29.6796 -29.6796 -29.5546 -29.5546 -28.8001 -28.8001 -28.6132 -28.6132 -28.4909 -28.4909 -28.3266 -28.3266 -16.1764 -16.1764 -15.8588 -15.8588 -15.6646 -15.6646 -15.2844 -15.2844 -11.9033 -11.9033 -11.4064 -11.4064 -11.0490 -11.0490 -10.5566 -10.5566 -9.5318 -9.5318 -9.3187 -9.3187 -8.9951 -8.9951 -8.8829 -8.8829 -6.7427 -6.7427 -6.5609 -6.5609 -4.4397 -4.4397 -4.2845 -4.2845 -0.4972 -0.4972 k = 0.2206 0.1781 1.8687 ( 3928 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3665 -60.3665 -60.3541 -60.3541 -60.3409 -60.3409 -60.3287 -60.3287 -36.7644 -36.7644 -36.7418 -36.7418 -36.6030 -36.6030 -36.5811 -36.5811 -30.0377 -30.0377 -29.9483 -29.9483 -29.6845 -29.6845 -29.5594 -29.5594 -28.7981 -28.7981 -28.6106 -28.6106 -28.4944 -28.4944 -28.3379 -28.3379 -16.1333 -16.1333 -15.8499 -15.8499 -15.6723 -15.6723 -15.3542 -15.3542 -11.8663 -11.8663 -11.4430 -11.4430 -11.0229 -11.0229 -10.5875 -10.5875 -9.5247 -9.5247 -9.3374 -9.3374 -8.9994 -8.9994 -8.8990 -8.8990 -6.7022 -6.7022 -6.5472 -6.5472 -4.3744 -4.3744 -4.2485 -4.2485 -0.3530 -0.3530 k = 0.2255 0.1592 1.8882 ( 3930 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3645 -60.3645 -60.3542 -60.3542 -60.3397 -60.3397 -60.3294 -60.3294 -36.7649 -36.7649 -36.7456 -36.7456 -36.6030 -36.6030 -36.5842 -36.5842 -30.0373 -30.0373 -29.9538 -29.9538 -29.6887 -29.6887 -29.5637 -29.5637 -28.7962 -28.7962 -28.6085 -28.6085 -28.4972 -28.4972 -28.3481 -28.3481 -16.0897 -16.0897 -15.8419 -15.8419 -15.6797 -15.6797 -15.4207 -15.4207 -11.8307 -11.8307 -11.4797 -11.4797 -10.9942 -10.9942 -10.6187 -10.6187 -9.5161 -9.5161 -9.3566 -9.3566 -9.0021 -9.0021 -8.9134 -8.9134 -6.6668 -6.6668 -6.5364 -6.5364 -4.3177 -4.3177 -4.2175 -4.2175 -0.2165 -0.2165 k = 0.2304 0.1404 1.9077 ( 3928 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3626 -60.3626 -60.3542 -60.3542 -60.3385 -60.3385 -60.3301 -60.3301 -36.7649 -36.7649 -36.7490 -36.7490 -36.6026 -36.6026 -36.5871 -36.5871 -30.0366 -30.0366 -29.9583 -29.9583 -29.6922 -29.6922 -29.5672 -29.5672 -28.7946 -28.7946 -28.6067 -28.6067 -28.4993 -28.4993 -28.3567 -28.3567 -16.0461 -16.0461 -15.8354 -15.8354 -15.6860 -15.6860 -15.4827 -15.4827 -11.7961 -11.7961 -11.5160 -11.5160 -10.9639 -10.9639 -10.6499 -10.6499 -9.5064 -9.5064 -9.3758 -9.3758 -9.0037 -9.0037 -8.9257 -8.9257 -6.6362 -6.6362 -6.5286 -6.5286 -4.2699 -4.2699 -4.1920 -4.1920 -0.0918 -0.0918 k = 0.2353 0.1216 1.9271 ( 3930 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3610 -60.3610 -60.3547 -60.3547 -60.3374 -60.3374 -60.3310 -60.3310 -36.7646 -36.7646 -36.7520 -36.7520 -36.6020 -36.6020 -36.5897 -36.5897 -30.0358 -30.0358 -29.9623 -29.9623 -29.6950 -29.6950 -29.5700 -29.5700 -28.7932 -28.7932 -28.6054 -28.6054 -28.5010 -28.5010 -28.3634 -28.3634 -16.0035 -16.0035 -15.8315 -15.8315 -15.6904 -15.6904 -15.5392 -15.5392 -11.7622 -11.7622 -11.5520 -11.5520 -10.9326 -10.9326 -10.6812 -10.6812 -9.4956 -9.4956 -9.3944 -9.3944 -9.0046 -9.0046 -8.9355 -8.9355 -6.6108 -6.6108 -6.5240 -6.5240 -4.2318 -4.2318 -4.1724 -4.1724 0.0161 0.0161 k = 0.2402 0.1027 1.9466 ( 3926 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3596 -60.3596 -60.3552 -60.3552 -60.3363 -60.3363 -60.3319 -60.3319 -36.7639 -36.7639 -36.7546 -36.7546 -36.6011 -36.6011 -36.5920 -36.5920 -30.0351 -30.0351 -29.9652 -29.9652 -29.6969 -29.6969 -29.5719 -29.5719 -28.7919 -28.7919 -28.6044 -28.6044 -28.5023 -28.5023 -28.3681 -28.3681 -15.9635 -15.9635 -15.8320 -15.8320 -15.6918 -15.6918 -15.5875 -15.5875 -11.7290 -11.7290 -11.5871 -11.5871 -10.9016 -10.9016 -10.7116 -10.7116 -9.4843 -9.4843 -9.4116 -9.4116 -9.0056 -9.0056 -8.9421 -8.9421 -6.5905 -6.5905 -6.5228 -6.5228 -4.2039 -4.2039 -4.1586 -4.1586 0.1021 0.1021 k = 0.2451 0.0839 1.9661 ( 3928 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3583 -60.3583 -60.3560 -60.3560 -60.3353 -60.3353 -60.3328 -60.3328 -36.7630 -36.7630 -36.7568 -36.7568 -36.6000 -36.6000 -36.5940 -36.5940 -30.0345 -30.0345 -29.9671 -29.9671 -29.6981 -29.6981 -29.5732 -29.5732 -28.7908 -28.7908 -28.6038 -28.6038 -28.5036 -28.5036 -28.3707 -28.3707 -15.9295 -15.9295 -15.8392 -15.8392 -15.6902 -15.6902 -15.6223 -15.6223 -11.6971 -11.6971 -11.6205 -11.6205 -10.8732 -10.8732 -10.7392 -10.7392 -9.4745 -9.4745 -9.4253 -9.4253 -9.0072 -9.0072 -8.9449 -8.9449 -6.5757 -6.5757 -6.5246 -6.5246 -4.1872 -4.1872 -4.1502 -4.1502 0.1619 0.1622 k = 0.2500 0.0651 1.9855 ( 3920 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3573 -60.3573 -60.3568 -60.3568 -60.3342 -60.3342 -60.3337 -60.3337 -36.7619 -36.7619 -36.7583 -36.7583 -36.5985 -36.5985 -36.5956 -36.5956 -30.0341 -30.0341 -29.9678 -29.9678 -29.6984 -29.6984 -29.5735 -29.5735 -28.7900 -28.7900 -28.6036 -28.6036 -28.5048 -28.5048 -28.3709 -28.3709 -15.9088 -15.9088 -15.8503 -15.8503 -15.6912 -15.6912 -15.6327 -15.6327 -11.6765 -11.6765 -11.6420 -11.6420 -10.8534 -10.8534 -10.7579 -10.7579 -9.4714 -9.4714 -9.4301 -9.4301 -9.0095 -9.0095 -8.9436 -8.9436 -6.5676 -6.5676 -6.5283 -6.5283 -4.1825 -4.1825 -4.1462 -4.1462 0.1873 0.1959 k = 0.2500 0.0651 1.9855 ( 3920 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3573 -60.3573 -60.3568 -60.3568 -60.3342 -60.3342 -60.3337 -60.3337 -36.7619 -36.7619 -36.7583 -36.7583 -36.5985 -36.5985 -36.5956 -36.5956 -30.0341 -30.0341 -29.9678 -29.9678 -29.6984 -29.6984 -29.5735 -29.5735 -28.7900 -28.7900 -28.6036 -28.6036 -28.5048 -28.5048 -28.3709 -28.3709 -15.9088 -15.9088 -15.8503 -15.8503 -15.6912 -15.6912 -15.6327 -15.6327 -11.6765 -11.6765 -11.6420 -11.6420 -10.8534 -10.8534 -10.7579 -10.7579 -9.4714 -9.4714 -9.4301 -9.4301 -9.0095 -9.0095 -8.9436 -8.9436 -6.5676 -6.5676 -6.5283 -6.5283 -4.1825 -4.1825 -4.1462 -4.1462 0.1880 0.1945 k = 0.2750 0.0716 1.9788 ( 3928 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3574 -60.3574 -60.3568 -60.3568 -60.3343 -60.3343 -60.3337 -60.3337 -36.7618 -36.7618 -36.7585 -36.7585 -36.5984 -36.5984 -36.5957 -36.5957 -30.0339 -30.0339 -29.9684 -29.9684 -29.6972 -29.6972 -29.5738 -29.5738 -28.7912 -28.7912 -28.6121 -28.6121 -28.4969 -28.4969 -28.3705 -28.3705 -15.9121 -15.9121 -15.8566 -15.8566 -15.6838 -15.6838 -15.6271 -15.6271 -11.6848 -11.6848 -11.6448 -11.6448 -10.8591 -10.8591 -10.7665 -10.7665 -9.4727 -9.4727 -9.4324 -9.4324 -8.9892 -8.9892 -8.9243 -8.9243 -6.5749 -6.5749 -6.5358 -6.5358 -4.1779 -4.1779 -4.1440 -4.1440 0.2488 0.2500 k = 0.3000 0.0781 1.9721 ( 3930 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3576 -60.3576 -60.3567 -60.3567 -60.3345 -60.3345 -60.3336 -60.3336 -36.7618 -36.7618 -36.7585 -36.7585 -36.5983 -36.5983 -36.5957 -36.5957 -30.0329 -30.0329 -29.9700 -29.9700 -29.6941 -29.6941 -29.5754 -29.5754 -28.7905 -28.7905 -28.6231 -28.6231 -28.4869 -28.4869 -28.3707 -28.3707 -15.9162 -15.9162 -15.8627 -15.8627 -15.6772 -15.6772 -15.6199 -15.6199 -11.6954 -11.6954 -11.6447 -11.6447 -10.8635 -10.8635 -10.7757 -10.7757 -9.4743 -9.4743 -9.4341 -9.4341 -8.9688 -8.9688 -8.9061 -8.9061 -6.5820 -6.5820 -6.5436 -6.5436 -4.1739 -4.1739 -4.1421 -4.1421 0.3023 0.3046 k = 0.3250 0.0846 1.9654 ( 3930 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3576 -60.3576 -60.3565 -60.3565 -60.3346 -60.3346 -60.3335 -60.3335 -36.7619 -36.7619 -36.7584 -36.7584 -36.5982 -36.5982 -36.5957 -36.5957 -30.0315 -30.0315 -29.9724 -29.9724 -29.6894 -29.6894 -29.5784 -29.5784 -28.7881 -28.7881 -28.6355 -28.6355 -28.4761 -28.4761 -28.3716 -28.3716 -15.9213 -15.9213 -15.8680 -15.8680 -15.6715 -15.6715 -15.6115 -15.6115 -11.7053 -11.7053 -11.6447 -11.6447 -10.8666 -10.8666 -10.7853 -10.7853 -9.4759 -9.4759 -9.4355 -9.4355 -8.9489 -8.9489 -8.8894 -8.8894 -6.5887 -6.5887 -6.5518 -6.5518 -4.1705 -4.1705 -4.1407 -4.1407 0.3477 0.3499 k = 0.3500 0.0911 1.9587 ( 3932 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3577 -60.3577 -60.3565 -60.3565 -60.3348 -60.3348 -60.3335 -60.3335 -36.7618 -36.7618 -36.7584 -36.7584 -36.5981 -36.5981 -36.5956 -36.5956 -30.0294 -30.0294 -29.9757 -29.9757 -29.6833 -29.6833 -29.5827 -29.5827 -28.7840 -28.7840 -28.6487 -28.6487 -28.4651 -28.4651 -28.3733 -28.3733 -15.9272 -15.9272 -15.8724 -15.8724 -15.6667 -15.6667 -15.6024 -15.6024 -11.7129 -11.7129 -11.6458 -11.6458 -10.8682 -10.8682 -10.7953 -10.7953 -9.4771 -9.4771 -9.4372 -9.4372 -8.9299 -8.9299 -8.8745 -8.8745 -6.5950 -6.5950 -6.5602 -6.5602 -4.1678 -4.1678 -4.1400 -4.1400 0.3808 0.3812 k = 0.3750 0.0976 1.9519 ( 3934 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3578 -60.3578 -60.3565 -60.3565 -60.3348 -60.3348 -60.3335 -60.3335 -36.7616 -36.7616 -36.7583 -36.7583 -36.5981 -36.5981 -36.5956 -36.5956 -30.0268 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-11.6521 -11.6521 -10.8674 -10.8674 -10.8149 -10.8149 -9.4779 -9.4779 -9.4415 -9.4415 -8.8968 -8.8968 -8.8515 -8.8515 -6.6046 -6.6046 -6.5772 -6.5772 -4.1645 -4.1645 -4.1410 -4.1410 0.3957 0.3983 k = 0.4250 0.1106 1.9385 ( 3940 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3577 -60.3577 -60.3566 -60.3566 -60.3347 -60.3347 -60.3336 -60.3336 -36.7610 -36.7610 -36.7583 -36.7583 -36.5979 -36.5979 -36.5955 -36.5955 -30.0204 -30.0204 -29.9877 -29.9877 -29.6593 -29.6593 -29.6014 -29.6014 -28.7640 -28.7640 -28.6888 -28.6888 -28.4350 -28.4350 -28.3819 -28.3819 -15.9488 -15.9488 -15.8805 -15.8805 -15.6565 -15.6565 -15.5742 -15.5742 -11.7182 -11.7182 -11.6573 -11.6573 -10.8650 -10.8650 -10.8243 -10.8243 -9.4774 -9.4774 -9.4443 -9.4443 -8.8840 -8.8840 -8.8433 -8.8433 -6.6078 -6.6078 -6.5855 -6.5855 -4.1640 -4.1640 -4.1428 -4.1428 0.3829 0.3869 k = 0.4500 0.1171 1.9318 ( 3942 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3576 -60.3576 -60.3567 -60.3567 -60.3345 -60.3345 -60.3336 -60.3336 -36.7605 -36.7605 -36.7584 -36.7584 -36.5978 -36.5978 -36.5954 -36.5954 -30.0171 -30.0171 -29.9914 -29.9914 -29.6507 -29.6507 -29.6086 -29.6086 -28.7559 -28.7559 -28.7006 -28.7006 -28.4275 -28.4275 -28.3849 -28.3849 -15.9564 -15.9564 -15.8822 -15.8822 -15.6541 -15.6541 -15.5650 -15.5650 -11.7139 -11.7139 -11.6633 -11.6633 -10.8615 -10.8615 -10.8331 -10.8331 -9.4765 -9.4765 -9.4470 -9.4470 -8.8746 -8.8746 -8.8371 -8.8371 -6.6098 -6.6098 -6.5934 -6.5934 -4.1647 -4.1647 -4.1456 -4.1456 0.3655 0.3694 k = 0.4750 0.1236 1.9251 ( 3941 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3574 -60.3574 -60.3569 -60.3569 -60.3344 -60.3344 -60.3338 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-6.6050 -4.1704 -4.1704 -4.1517 -4.1517 0.3324 0.3342 k = 0.5000 0.1301 1.8905 ( 3926 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3578 -60.3578 -60.3577 -60.3577 -60.3343 -60.3343 -60.3342 -60.3342 -36.7578 -36.7578 -36.7561 -36.7561 -36.5981 -36.5981 -36.5943 -36.5943 -30.0156 -30.0156 -29.9876 -29.9876 -29.6434 -29.6434 -29.6103 -29.6103 -28.7533 -28.7533 -28.7052 -28.7052 -28.4263 -28.4263 -28.3759 -28.3759 -16.0037 -16.0037 -15.8995 -15.8995 -15.6360 -15.6360 -15.5074 -15.5074 -11.7026 -11.7026 -11.6552 -11.6552 -10.8578 -10.8578 -10.8440 -10.8440 -9.4839 -9.4839 -9.4456 -9.4456 -8.8740 -8.8740 -8.8185 -8.8185 -6.6275 -6.6275 -6.6169 -6.6169 -4.1940 -4.1940 -4.1674 -4.1674 0.2666 0.2667 k = 0.5000 0.1301 1.8627 ( 3926 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3584 -60.3584 -60.3583 -60.3583 -60.3345 -60.3345 -60.3344 -60.3344 -36.7557 -36.7557 -36.7535 -36.7535 -36.5984 -36.5984 -36.5935 -36.5935 -30.0168 -30.0168 -29.9807 -29.9807 -29.6461 -29.6461 -29.6035 -29.6035 -28.7596 -28.7596 -28.6986 -28.6986 -28.4298 -28.4298 -28.3658 -28.3658 -16.0372 -16.0372 -15.9238 -15.9238 -15.6103 -15.6103 -15.4657 -15.4657 -11.6988 -11.6988 -11.6383 -11.6383 -10.8606 -10.8606 -10.8434 -10.8434 -9.4921 -9.4921 -9.4426 -9.4426 -8.8788 -8.8788 -8.8067 -8.8067 -6.6471 -6.6471 -6.6334 -6.6334 -4.2243 -4.2243 -4.1897 -4.1897 0.1779 0.1831 k = 0.5000 0.1301 1.8349 ( 3922 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3593 -60.3593 -60.3591 -60.3591 -60.3347 -60.3347 -60.3346 -60.3346 -36.7528 -36.7528 -36.7501 -36.7501 -36.5986 -36.5986 -36.5926 -36.5926 -30.0169 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PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3632 -60.3632 -60.3630 -60.3630 -60.3354 -60.3354 -60.3353 -60.3353 -36.7413 -36.7413 -36.7372 -36.7372 -36.5985 -36.5985 -36.5894 -36.5894 -30.0129 -30.0129 -29.9472 -29.9472 -29.6503 -29.6503 -29.5714 -29.5714 -28.7807 -28.7807 -28.6803 -28.6803 -28.4277 -28.4277 -28.3204 -28.3204 -16.1792 -16.1792 -16.0647 -16.0647 -15.4500 -15.4500 -15.2790 -15.2790 -11.6707 -11.6707 -11.5691 -11.5691 -10.8528 -10.8528 -10.8329 -10.8329 -9.5327 -9.5327 -9.4408 -9.4408 -8.8889 -8.8889 -8.7499 -8.7499 -6.7656 -6.7656 -6.7402 -6.7402 -4.4074 -4.4074 -4.3392 -4.3392 -0.2659 -0.2652 k = 0.5000 0.1301 1.7237 ( 3922 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3650 -60.3650 -60.3649 -60.3649 -60.3357 -60.3357 -60.3356 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************************************************************************ -60.3749 -60.3749 -60.3748 -60.3748 -60.3368 -60.3368 -60.3367 -60.3367 -36.7124 -36.7124 -36.7065 -36.7065 -36.5948 -36.5948 -36.5812 -36.5812 -29.9893 -29.9893 -29.8965 -29.8965 -29.6382 -29.6382 -29.5218 -29.5218 -28.7972 -28.7972 -28.6828 -28.6828 -28.3829 -28.3829 -28.2545 -28.2545 -16.3729 -16.3729 -16.2745 -16.2745 -15.1825 -15.1825 -15.0027 -15.0027 -11.6644 -11.6644 -11.5602 -11.5602 -10.7562 -10.7562 -10.7241 -10.7241 -9.5996 -9.5996 -9.4890 -9.4890 -8.8699 -8.8699 -8.6627 -8.6627 -6.9748 -6.9748 -6.9405 -6.9405 -4.7553 -4.7553 -4.6451 -4.6451 -0.8639 -0.8573 k = 0.5000 0.1301 1.5847 ( 3934 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3780 -60.3780 -60.3778 -60.3778 -60.3371 -60.3371 -60.3371 -60.3371 -36.7057 -36.7057 -36.6997 -36.6997 -36.5931 -36.5931 -36.5788 -36.5788 -29.9820 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PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3872 -60.3872 -60.3870 -60.3870 -60.3369 -60.3369 -60.3368 -60.3368 -36.6841 -36.6841 -36.6788 -36.6788 -36.5840 -36.5840 -36.5690 -36.5690 -29.9545 -29.9545 -29.8538 -29.8538 -29.6093 -29.6093 -29.4753 -29.4753 -28.8024 -28.8024 -28.7003 -28.7003 -28.3194 -28.3194 -28.1956 -28.1956 -16.5432 -16.5432 -16.4579 -16.4579 -14.9267 -14.9267 -14.7460 -14.7460 -11.7287 -11.7287 -11.6478 -11.6478 -10.6237 -10.6237 -10.5061 -10.5061 -9.6565 -9.6565 -9.5936 -9.5936 -8.8222 -8.8222 -8.5928 -8.5928 -7.1411 -7.1411 -7.1086 -7.1086 -5.1029 -5.1029 -4.9663 -4.9663 -1.4296 -1.4296 k = 0.5000 0.1301 1.4735 ( 3934 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3910 -60.3910 -60.3908 -60.3908 -60.3368 -60.3368 -60.3368 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************************************************************************ -60.4073 -60.4073 -60.4072 -60.4072 -60.3359 -60.3359 -60.3359 -60.3359 -36.6521 -36.6521 -36.6509 -36.6509 -36.5494 -36.5494 -36.5388 -36.5388 -29.8914 -29.8914 -29.8051 -29.8051 -29.5434 -29.5434 -29.4112 -29.4112 -28.7983 -28.7983 -28.7273 -28.7273 -28.2199 -28.2199 -28.1166 -28.1166 -16.7793 -16.7793 -16.7075 -16.7075 -14.5614 -14.5614 -14.3845 -14.3845 -11.8860 -11.8860 -11.8183 -11.8183 -10.4737 -10.4737 -10.2570 -10.2570 -9.7207 -9.7207 -9.6631 -9.6631 -8.7466 -8.7466 -8.5336 -8.5336 -7.2663 -7.2663 -7.2496 -7.2496 -5.5886 -5.5886 -5.4429 -5.4429 -2.0155 -2.0155 k = 0.5000 0.1301 1.3345 ( 3924 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4117 -60.4117 -60.4116 -60.4116 -60.3356 -60.3356 -60.3356 -60.3356 -36.6486 -36.6486 -36.6456 -36.6456 -36.5391 -36.5391 -36.5300 -36.5300 -29.8763 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PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4714 -60.4714 -60.4713 -60.4713 -60.3317 -60.3317 -60.3316 -60.3316 -36.6292 -36.6292 -36.6118 -36.6118 -36.3658 -36.3658 -36.3630 -36.3630 -29.7177 -29.7177 -29.6506 -29.6506 -29.2535 -29.2535 -29.2350 -29.2350 -28.7320 -28.7320 -28.7247 -28.7247 -27.9377 -27.9377 -27.9109 -27.9109 -17.5303 -17.5303 -17.4827 -17.4827 -13.5002 -13.5002 -13.3655 -13.3655 -12.4994 -12.4994 -12.3347 -12.3347 -11.0087 -11.0087 -10.8080 -10.8080 -8.9572 -8.9572 -8.9383 -8.9383 -8.5631 -8.5631 -8.5524 -8.5524 -7.3085 -7.3085 -6.9996 -6.9996 -6.8080 -6.8080 -6.6194 -6.6194 -2.8030 -2.8023 k = 0.5000 0.1301 0.9731 ( 3914 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.4766 -60.4766 -60.4765 -60.4765 -60.3313 -60.3313 -60.3312 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************************************************************************ -60.4975 -60.4975 -60.4974 -60.4974 -60.3298 -60.3298 -60.3297 -60.3297 -36.6234 -36.6234 -36.6046 -36.6046 -36.2823 -36.2823 -36.2778 -36.2778 -29.6956 -29.6956 -29.5588 -29.5588 -29.1998 -29.1998 -29.0856 -29.0856 -28.6797 -28.6797 -28.6680 -28.6680 -27.8450 -27.8450 -27.8421 -27.8421 -17.8623 -17.8623 -17.8221 -17.8221 -13.1586 -13.1586 -13.0857 -13.0857 -12.7384 -12.7384 -12.5740 -12.5740 -11.2117 -11.2117 -10.8924 -10.8924 -8.9035 -8.9035 -8.7612 -8.7612 -8.5613 -8.5613 -8.3351 -8.3351 -7.5176 -7.5176 -7.3814 -7.3814 -6.6520 -6.6520 -6.6146 -6.6146 -2.9836 -2.9835 k = 0.5000 0.1301 0.8341 ( 3908 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5026 -60.5026 -60.5025 -60.5025 -60.3294 -60.3294 -60.3293 -60.3293 -36.6221 -36.6221 -36.6032 -36.6032 -36.2655 -36.2655 -36.2608 -36.2608 -29.6917 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PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5173 -60.5173 -60.5172 -60.5172 -60.3283 -60.3283 -60.3282 -60.3282 -36.6182 -36.6182 -36.5994 -36.5994 -36.2158 -36.2158 -36.2106 -36.2106 -29.6810 -29.6810 -29.5087 -29.5087 -29.1431 -29.1431 -28.9648 -28.9648 -28.6168 -28.6168 -28.6103 -28.6103 -27.8030 -27.8030 -27.7776 -27.7776 -18.1325 -18.1325 -18.0979 -18.0979 -13.2197 -13.2197 -13.1381 -13.1381 -12.6138 -12.6138 -12.5773 -12.5773 -11.2634 -11.2634 -10.8898 -10.8898 -8.9591 -8.9591 -8.8688 -8.8688 -8.5090 -8.5090 -8.2575 -8.2575 -7.6386 -7.6386 -7.6236 -7.6236 -6.5288 -6.5288 -6.4420 -6.4420 -3.0547 -3.0545 k = 0.5000 0.1301 0.7228 ( 3904 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5220 -60.5220 -60.5220 -60.5220 -60.3278 -60.3278 -60.3276 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************************************************************************ -60.5406 -60.5406 -60.5405 -60.5405 -60.3261 -60.3261 -60.3260 -60.3260 -36.6107 -36.6107 -36.5934 -36.5934 -36.1373 -36.1373 -36.1320 -36.1320 -29.6652 -29.6652 -29.4859 -29.4859 -29.0433 -29.0433 -28.8248 -28.8248 -28.5221 -28.5221 -28.5208 -28.5208 -27.7656 -27.7656 -27.7166 -27.7166 -18.4596 -18.4596 -18.4317 -18.4317 -13.5555 -13.5555 -13.4442 -13.4442 -12.2934 -12.2934 -12.2694 -12.2694 -11.2427 -11.2427 -10.8348 -10.8348 -9.1767 -9.1767 -9.1727 -9.1727 -8.5335 -8.5335 -8.3195 -8.3195 -7.8044 -7.8044 -7.6875 -7.6875 -6.3116 -6.3116 -6.1380 -6.1380 -3.0360 -3.0342 k = 0.5000 0.1301 0.5838 ( 3908 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5447 -60.5447 -60.5446 -60.5446 -60.3258 -60.3258 -60.3257 -60.3257 -36.6093 -36.6093 -36.5924 -36.5924 -36.1224 -36.1224 -36.1173 -36.1173 -29.6623 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PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5559 -60.5559 -60.5559 -60.5559 -60.3247 -60.3247 -60.3246 -60.3246 -36.6047 -36.6047 -36.5894 -36.5894 -36.0802 -36.0802 -36.0754 -36.0754 -29.6533 -29.6533 -29.4912 -29.4912 -28.9482 -28.9482 -28.7315 -28.7315 -28.4390 -28.4390 -28.4380 -28.4380 -27.7476 -27.7476 -27.6844 -27.6844 -18.6987 -18.6987 -18.6760 -18.6760 -13.8105 -13.8105 -13.7135 -13.7135 -12.0175 -12.0175 -11.9695 -11.9695 -11.1897 -11.1897 -10.7700 -10.7700 -9.4717 -9.4717 -9.4317 -9.4317 -8.6617 -8.6617 -8.4740 -8.4740 -7.8710 -7.8710 -7.7547 -7.7547 -6.0084 -6.0084 -5.8363 -5.8363 -2.9658 -2.9640 k = 0.5000 0.1301 0.4726 ( 3896 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5596 -60.5596 -60.5596 -60.5596 -60.3245 -60.3245 -60.3244 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-7.8079 -7.8079 -5.7176 -5.7176 -5.5745 -5.5745 -2.9228 -2.9228 k = 0.5000 0.1301 0.3892 ( 3898 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5695 -60.5695 -60.5695 -60.5695 -60.3235 -60.3235 -60.3234 -60.3234 -36.5994 -36.5994 -36.5867 -36.5867 -36.0320 -36.0320 -36.0278 -36.0278 -29.6418 -29.6418 -29.5085 -29.5085 -28.8530 -28.8530 -28.6636 -28.6636 -28.3563 -28.3563 -28.3500 -28.3500 -27.7403 -27.7403 -27.6702 -27.6702 -18.9062 -18.9062 -18.8886 -18.8886 -14.0274 -14.0274 -13.9508 -13.9508 -11.7315 -11.7315 -11.6525 -11.6525 -11.1151 -11.1151 -10.6901 -10.6901 -9.7661 -9.7661 -9.7077 -9.7077 -8.8977 -8.8977 -8.7451 -8.7451 -7.8915 -7.8915 -7.8238 -7.8238 -5.6131 -5.6131 -5.4820 -5.4820 -2.9005 -2.9005 k = 0.5000 0.1301 0.3614 ( 3898 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5724 -60.5724 -60.5724 -60.5724 -60.3235 -60.3235 -60.3234 -60.3234 -36.5980 -36.5980 -36.5861 -36.5861 -36.0213 -36.0213 -36.0174 -36.0174 -29.6387 -29.6387 -29.5136 -29.5136 -28.8301 -28.8301 -28.6506 -28.6506 -28.3366 -28.3366 -28.3278 -28.3278 -27.7397 -27.7397 -27.6692 -27.6692 -18.9519 -18.9519 -18.9356 -18.9356 -14.0743 -14.0743 -14.0030 -14.0030 -11.6590 -11.6590 -11.5718 -11.5718 -11.0926 -11.0926 -10.6668 -10.6668 -9.8367 -9.8367 -9.7744 -9.7744 -8.9712 -8.9712 -8.8269 -8.8269 -7.8931 -7.8931 -7.8383 -7.8383 -5.5066 -5.5066 -5.3881 -5.3881 -2.8764 -2.8764 k = 0.5000 0.1301 0.3336 ( 3900 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5751 -60.5751 -60.5751 -60.5751 -60.3230 -60.3230 -60.3230 -60.3230 -36.5967 -36.5967 -36.5855 -36.5855 -36.0113 -36.0113 -36.0076 -36.0076 -29.6353 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3900 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5823 -60.5823 -60.5823 -60.5823 -60.3228 -60.3228 -60.3228 -60.3228 -36.5930 -36.5930 -36.5844 -36.5844 -35.9857 -35.9857 -35.9828 -35.9828 -29.6249 -29.6249 -29.5358 -29.5358 -28.7459 -28.7459 -28.6142 -28.6142 -28.2635 -28.2635 -28.2465 -28.2465 -27.7397 -27.7397 -27.6749 -27.6749 -19.1053 -19.1053 -19.0940 -19.0940 -14.2282 -14.2282 -14.1787 -14.1787 -11.3734 -11.3734 -11.2560 -11.2560 -10.9794 -10.9794 -10.5544 -10.5544 -10.0976 -10.0976 -10.0188 -10.0188 -9.3044 -9.3044 -9.1836 -9.1836 -7.8986 -7.8986 -7.8829 -7.8829 -5.0836 -5.0836 -5.0143 -5.0143 -2.7637 -2.7637 k = 0.5000 0.1301 0.2224 ( 3902 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5840 -60.5840 -60.5840 -60.5840 -60.3224 -60.3224 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-7.9046 -7.9046 -7.9028 -7.9028 -4.8083 -4.8083 -4.7696 -4.7696 -2.6686 -2.6686 k = 0.5000 0.1301 0.1390 ( 3900 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5881 -60.5881 -60.5881 -60.5881 -60.3219 -60.3219 -60.3219 -60.3219 -36.5891 -36.5891 -36.5842 -36.5842 -35.9619 -35.9619 -35.9603 -35.9603 -29.6090 -29.6090 -29.5587 -29.5587 -28.6782 -28.6782 -28.6029 -28.6029 -28.2053 -28.2053 -28.1888 -28.1888 -27.7374 -27.7374 -27.6929 -27.6929 -19.2062 -19.2062 -19.1999 -19.1999 -14.3244 -14.3244 -14.2969 -14.2969 -11.1179 -11.1179 -11.0163 -11.0163 -10.7935 -10.7935 -10.4402 -10.4402 -10.2699 -10.2699 -10.1957 -10.1957 -9.6636 -9.6636 -9.5525 -9.5525 -7.9070 -7.9070 -7.9067 -7.9067 -4.7326 -4.7326 -4.7023 -4.7023 -2.6369 -2.6369 k = 0.5000 0.1301 0.1112 ( 3896 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5891 -60.5891 -60.5891 -60.5891 -60.3219 -60.3219 -60.3218 -60.3218 -36.5882 -36.5882 -36.5843 -36.5843 -35.9580 -35.9580 -35.9566 -35.9566 -29.6045 -29.6045 -29.5642 -29.5642 -28.6643 -28.6643 -28.6038 -28.6038 -28.1941 -28.1941 -28.1796 -28.1796 -27.7354 -27.7354 -27.6984 -27.6984 -19.2224 -19.2224 -19.2174 -19.2174 -14.3390 -14.3390 -14.3170 -14.3170 -11.0643 -11.0643 -10.9790 -10.9790 -10.7374 -10.7374 -10.4477 -10.4477 -10.2601 -10.2601 -10.2184 -10.2184 -9.7499 -9.7499 -9.6410 -9.6410 -7.9102 -7.9102 -7.9088 -7.9088 -4.6677 -4.6677 -4.6449 -4.6449 -2.6066 -2.6064 k = 0.5000 0.1301 0.0834 ( 3892 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5899 -60.5899 -60.5899 -60.5899 -60.3218 -60.3218 -60.3218 -60.3218 -36.5874 -36.5874 -36.5845 -36.5845 -35.9549 -35.9549 -35.9539 -35.9539 -29.6000 -29.6000 -29.5697 -29.5697 -28.6517 -28.6517 -28.6062 -28.6062 -28.1846 -28.1846 -28.1729 -28.1729 -27.7327 -27.7327 -27.7041 -27.7041 -19.2350 -19.2350 -19.2313 -19.2313 -14.3497 -14.3497 -14.3333 -14.3333 -11.0172 -11.0172 -10.9509 -10.9509 -10.6848 -10.6848 -10.4737 -10.4737 -10.2266 -10.2266 -10.2263 -10.2263 -9.8302 -9.8302 -9.7261 -9.7261 -7.9125 -7.9125 -7.9107 -7.9107 -4.6151 -4.6151 -4.5988 -4.5988 -2.5784 -2.5723 k = 0.5000 0.1301 0.0556 ( 3892 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5904 -60.5904 -60.5904 -60.5904 -60.3218 -60.3218 -60.3217 -60.3217 -36.5867 -36.5867 -36.5848 -36.5848 -35.9526 -35.9526 -35.9519 -35.9519 -29.5953 -29.5953 -29.5750 -29.5750 -28.6406 -28.6406 -28.6102 -28.6102 -28.1770 -28.1770 -28.1688 -28.1688 -27.7293 -27.7293 -27.7098 -27.7098 -19.2439 -19.2439 -19.2414 -19.2414 -14.3567 -14.3567 -14.3457 -14.3457 -10.9780 -10.9780 -10.9326 -10.9326 -10.6396 -10.6396 -10.5060 -10.5060 -10.2175 -10.2175 -10.1858 -10.1858 -9.8983 -9.8983 -9.8059 -9.8059 -7.9140 -7.9140 -7.9124 -7.9124 -4.5759 -4.5759 -4.5655 -4.5655 -2.5537 -2.5499 k = 0.5000 0.1301 0.0278 ( 3898 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5908 -60.5908 -60.5908 -60.5908 -60.3218 -60.3218 -60.3218 -60.3218 -36.5862 -36.5862 -36.5852 -36.5852 -35.9512 -35.9512 -35.9508 -35.9508 -29.5905 -29.5905 -29.5804 -29.5804 -28.6309 -28.6309 -28.6157 -28.6157 -28.1715 -28.1715 -28.1673 -28.1673 -27.7253 -27.7253 -27.7154 -27.7154 -19.2490 -19.2490 -19.2477 -19.2477 -14.3599 -14.3599 -14.3544 -14.3544 -10.9487 -10.9487 -10.9256 -10.9256 -10.6024 -10.6024 -10.5385 -10.5385 -10.1931 -10.1931 -10.1584 -10.1584 -9.9380 -9.9380 -9.8764 -9.8764 -7.9146 -7.9146 -7.9137 -7.9137 -4.5510 -4.5510 -4.5460 -4.5460 -2.5305 -2.5223 k = 0.5000 0.1301 0.0000 ( 3902 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.5909 -60.5909 -60.5909 -60.5909 -60.3218 -60.3218 -60.3218 -60.3218 -36.5856 -36.5856 -36.5856 -36.5856 -35.9506 -35.9506 -35.9506 -35.9506 -29.5856 -29.5856 -29.5856 -29.5856 -28.6226 -28.6226 -28.6226 -28.6226 -28.1683 -28.1683 -28.1683 -28.1683 -27.7206 -27.7206 -27.7206 -27.7206 -19.2503 -19.2503 -19.2503 -19.2503 -14.3591 -14.3591 -14.3591 -14.3591 -10.9309 -10.9309 -10.9309 -10.9309 -10.5700 -10.5700 -10.5700 -10.5700 -10.1650 -10.1650 -10.1650 -10.1650 -9.9277 -9.9277 -9.9277 -9.9277 -7.9145 -7.9145 -7.9145 -7.9145 -4.5410 -4.5410 -4.5410 -4.5410 -2.5206 -2.5206 k = 0.0000 0.0000 1.9855 ( 3942 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3583 -60.3583 -60.3577 -60.3577 -60.3346 -60.3346 -60.3339 -60.3339 -36.7625 -36.7625 -36.7575 -36.7575 -36.5999 -36.5999 -36.5958 -36.5958 -30.0092 -30.0092 -30.0026 -30.0026 -29.6418 -29.6418 -29.6323 -29.6323 -28.7006 -28.7006 -28.6968 -28.6968 -28.4588 -28.4588 -28.4053 -28.4053 -15.8712 -15.8712 -15.8339 -15.8339 -15.7098 -15.7098 -15.6914 -15.6914 -11.6326 -11.6326 -11.6196 -11.6196 -10.7740 -10.7740 -10.7380 -10.7380 -9.4424 -9.4424 -9.4321 -9.4321 -9.1296 -9.1296 -9.0847 -9.0847 -6.5154 -6.5154 -6.4933 -6.4933 -4.2121 -4.2121 -4.1631 -4.1631 -0.1269 -0.1263 k = 0.0250 0.0065 1.9855 ( 3942 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3586 -60.3586 -60.3579 -60.3579 -60.3347 -60.3347 -60.3340 -60.3340 -36.7625 -36.7625 -36.7575 -36.7575 -36.5999 -36.5999 -36.5958 -36.5958 -30.0119 -30.0119 -29.9998 -29.9998 -29.6477 -29.6477 -29.6265 -29.6265 -28.7127 -28.7127 -28.6843 -28.6843 -28.4607 -28.4607 -28.4040 -28.4040 -15.8722 -15.8722 -15.8332 -15.8332 -15.7114 -15.7114 -15.6891 -15.6891 -11.6334 -11.6334 -11.6194 -11.6194 -10.7763 -10.7763 -10.7371 -10.7371 -9.4441 -9.4441 -9.4306 -9.4306 -9.1282 -9.1282 -9.0827 -9.0827 -6.5162 -6.5162 -6.4936 -6.4936 -4.2117 -4.2117 -4.1629 -4.1629 -0.1287 -0.1242 k = 0.0500 0.0130 1.9855 ( 3938 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3584 -60.3584 -60.3577 -60.3577 -60.3344 -60.3344 -60.3337 -60.3337 -36.7623 -36.7623 -36.7573 -36.7573 -36.5997 -36.5997 -36.5957 -36.5957 -30.0159 -30.0159 -29.9947 -29.9947 -29.6564 -29.6564 -29.6175 -29.6175 -28.7256 -28.7256 -28.6698 -28.6698 -28.4657 -28.4657 -28.4003 -28.4003 -15.8752 -15.8752 -15.8316 -15.8316 -15.7145 -15.7145 -15.6838 -15.6838 -11.6359 -11.6359 -11.6191 -11.6191 -10.7823 -10.7823 -10.7350 -10.7350 -9.4478 -9.4478 -9.4280 -9.4280 -9.1242 -9.1242 -9.0770 -9.0770 -6.5184 -6.5184 -6.4942 -6.4942 -4.2107 -4.2107 -4.1623 -4.1623 -0.1195 -0.1137 k = 0.0750 0.0195 1.9855 ( 3938 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3583 -60.3583 -60.3576 -60.3576 -60.3345 -60.3345 -60.3338 -60.3338 -36.7623 -36.7623 -36.7574 -36.7574 -36.5997 -36.5997 -36.5957 -36.5957 -30.0200 -30.0200 -29.9897 -29.9897 -29.6653 -29.6653 -29.6089 -29.6089 -28.7380 -28.7380 -28.6553 -28.6553 -28.4730 -28.4730 -28.3957 -28.3957 -15.8793 -15.8793 -15.8300 -15.8300 -15.7170 -15.7170 -15.6773 -15.6773 -11.6396 -11.6396 -11.6193 -11.6193 -10.7906 -10.7906 -10.7332 -10.7332 -9.4520 -9.4520 -9.4257 -9.4257 -9.1173 -9.1173 -9.0676 -9.0676 -6.5220 -6.5220 -6.4956 -6.4956 -4.2091 -4.2091 -4.1612 -4.1612 -0.0996 -0.0951 k = 0.1000 0.0260 1.9855 ( 3930 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3577 -60.3577 -60.3570 -60.3570 -60.3343 -60.3343 -60.3337 -60.3337 -36.7622 -36.7622 -36.7575 -36.7575 -36.5994 -36.5994 -36.5955 -36.5955 -30.0235 -30.0235 -29.9847 -29.9847 -29.6732 -29.6732 -29.6006 -29.6006 -28.7493 -28.7493 -28.6412 -28.6412 -28.4814 -28.4814 -28.3907 -28.3907 -15.8840 -15.8840 -15.8291 -15.8291 -15.7182 -15.7182 -15.6702 -15.6702 -11.6440 -11.6440 -11.6200 -11.6200 -10.7999 -10.7999 -10.7321 -10.7321 -9.4562 -9.4562 -9.4240 -9.4240 -9.1079 -9.1079 -9.0551 -9.0551 -6.5268 -6.5268 -6.4977 -6.4977 -4.2067 -4.2067 -4.1597 -4.1597 -0.0825 -0.0696 k = 0.1250 0.0325 1.9855 ( 3930 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3577 -60.3577 -60.3570 -60.3570 -60.3343 -60.3343 -60.3337 -60.3337 -36.7622 -36.7622 -36.7576 -36.7576 -36.5993 -36.5993 -36.5956 -36.5956 -30.0267 -30.0267 -29.9801 -29.9801 -29.6807 -29.6807 -29.5933 -29.5933 -28.7597 -28.7597 -28.6278 -28.6278 -28.4903 -28.4903 -28.3859 -28.3859 -15.8889 -15.8889 -15.8295 -15.8295 -15.7176 -15.7176 -15.6632 -15.6632 -11.6490 -11.6490 -11.6217 -11.6217 -10.8099 -10.8099 -10.7327 -10.7327 -9.4601 -9.4601 -9.4233 -9.4233 -9.0961 -9.0961 -9.0399 -9.0399 -6.5325 -6.5325 -6.5008 -6.5008 -4.2038 -4.2038 -4.1579 -4.1579 -0.0554 -0.0433 k = 0.1500 0.0390 1.9855 ( 3934 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3576 -60.3576 -60.3570 -60.3570 -60.3344 -60.3344 -60.3338 -60.3338 -36.7622 -36.7622 -36.7577 -36.7577 -36.5992 -36.5992 -36.5956 -36.5956 -30.0294 -30.0294 -29.9760 -29.9760 -29.6872 -29.6872 -29.5870 -29.5870 -28.7689 -28.7689 -28.6158 -28.6158 -28.4989 -28.4989 -28.3815 -28.3815 -15.8937 -15.8937 -15.8314 -15.8314 -15.7152 -15.7152 -15.6564 -15.6564 -11.6544 -11.6544 -11.6242 -11.6242 -10.8200 -10.8200 -10.7349 -10.7349 -9.4635 -9.4635 -9.4234 -9.4234 -9.0821 -9.0821 -9.0226 -9.0226 -6.5390 -6.5390 -6.5048 -6.5048 -4.2004 -4.2004 -4.1559 -4.1559 -0.0067 -0.0024 k = 0.1750 0.0455 1.9855 ( 3932 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3574 -60.3574 -60.3568 -60.3568 -60.3344 -60.3344 -60.3338 -60.3338 -36.7621 -36.7621 -36.7579 -36.7579 -36.5991 -36.5991 -36.5956 -36.5956 -30.0315 -30.0315 -29.9726 -29.9726 -29.6923 -29.6923 -29.5816 -29.5816 -28.7766 -28.7766 -28.6061 -28.6061 -28.5060 -28.5060 -28.3778 -28.3778 -15.8982 -15.8982 -15.8347 -15.8347 -15.7110 -15.7110 -15.6498 -15.6498 -11.6599 -11.6599 -11.6275 -11.6275 -10.8296 -10.8296 -10.7387 -10.7387 -9.4664 -9.4664 -9.4242 -9.4242 -9.0661 -9.0661 -9.0037 -9.0037 -6.5459 -6.5459 -6.5096 -6.5096 -4.1965 -4.1965 -4.1537 -4.1537 0.0372 0.0477 k = 0.2000 0.0520 1.9855 ( 3928 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3574 -60.3574 -60.3568 -60.3568 -60.3344 -60.3344 -60.3338 -60.3338 -36.7621 -36.7621 -36.7580 -36.7580 -36.5989 -36.5989 -36.5955 -36.5955 -30.0330 -30.0330 -29.9700 -29.9700 -29.6959 -29.6959 -29.5775 -29.5775 -28.7827 -28.7827 -28.6001 -28.6001 -28.5100 -28.5100 -28.3747 -28.3747 -15.9022 -15.9022 -15.8391 -15.8391 -15.7053 -15.7053 -15.6437 -15.6437 -11.6655 -11.6655 -11.6316 -11.6316 -10.8386 -10.8386 -10.7439 -10.7439 -9.4686 -9.4686 -9.4257 -9.4257 -9.0484 -9.0484 -8.9838 -8.9838 -6.5531 -6.5531 -6.5151 -6.5151 -4.1922 -4.1922 -4.1513 -4.1513 0.0742 0.0886 k = 0.2250 0.0585 1.9855 ( 3928 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3573 -60.3573 -60.3568 -60.3568 -60.3344 -60.3344 -60.3339 -60.3339 -36.7620 -36.7620 -36.7582 -36.7582 -36.5987 -36.5987 -36.5956 -36.5956 -30.0339 -30.0339 -29.9684 -29.9684 -29.6981 -29.6981 -29.5748 -29.5748 -28.7873 -28.7873 -28.5992 -28.5992 -28.5097 -28.5097 -28.3724 -28.3724 -15.9058 -15.9058 -15.8444 -15.8444 -15.6987 -15.6987 -15.6380 -15.6380 -11.6712 -11.6712 -11.6365 -11.6365 -10.8466 -10.8466 -10.7504 -10.7504 -9.4704 -9.4704 -9.4277 -9.4277 -9.0294 -9.0294 -8.9636 -8.9636 -6.5605 -6.5605 -6.5214 -6.5214 -4.1876 -4.1876 -4.1488 -4.1488 0.1277 0.1388 k = 0.2500 0.0651 1.9855 ( 3920 PWs) bands (ev): ************************************************************************ ************************************************************************ -60.3573 -60.3573 -60.3568 -60.3568 -60.3342 -60.3342 -60.3337 -60.3337 -36.7619 -36.7619 -36.7583 -36.7583 -36.5985 -36.5985 -36.5956 -36.5956 -30.0341 -30.0341 -29.9678 -29.9678 -29.6984 -29.6984 -29.5735 -29.5735 -28.7900 -28.7900 -28.6036 -28.6036 -28.5048 -28.5048 -28.3709 -28.3709 -15.9088 -15.9088 -15.8503 -15.8503 -15.6912 -15.6912 -15.6327 -15.6327 -11.6765 -11.6765 -11.6420 -11.6420 -10.8534 -10.8534 -10.7579 -10.7579 -9.4714 -9.4714 -9.4301 -9.4301 -9.0095 -9.0095 -8.9436 -8.9436 -6.5676 -6.5676 -6.5283 -6.5283 -4.1825 -4.1825 -4.1462 -4.1462 0.1885 0.1967 Writing output data file BW.save init_run : 1.36s CPU 0.78s WALL ( 1 calls) electrons : 2674.18s CPU 2256.26s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.38s CPU 0.21s WALL ( 1 calls) Called by electrons: c_bands : 2674.15s CPU 2256.24s WALL ( 1 calls) v_of_rho : 0.05s CPU 0.03s WALL ( 1 calls) v_h : 0.01s CPU 0.00s WALL ( 1 calls) v_xc : 0.04s CPU 0.02s WALL ( 1 calls) newd : 0.27s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.22s CPU 0.25s WALL ( 406 calls) cegterg : 2358.83s CPU 2032.00s WALL ( 1369 calls) Called by sum_band: Called by *egterg: h_psi : 1733.03s CPU 1287.98s WALL ( 24737 calls) s_psi : 36.29s CPU 35.12s WALL ( 24737 calls) g_psi : 0.38s CPU 0.34s WALL ( 22962 calls) cdiaghg : 768.67s CPU 768.34s WALL ( 23368 calls) cegterg:over : 40.28s CPU 40.41s WALL ( 22962 calls) cegterg:upda : 18.86s CPU 20.26s WALL ( 22962 calls) cegterg:last : 10.15s CPU 10.33s WALL ( 2587 calls) cdiaghg:chol : 23.40s CPU 23.59s WALL ( 23368 calls) cdiaghg:inve : 18.61s CPU 18.94s WALL ( 23368 calls) cdiaghg:para : 45.57s CPU 46.03s WALL ( 46736 calls) Called by h_psi: h_psi:vloc : 1682.84s CPU 1239.07s WALL ( 24737 calls) h_psi:vnl : 49.77s CPU 48.51s WALL ( 24737 calls) add_vuspsi : 24.48s CPU 23.56s WALL ( 24737 calls) General routines calbec : 25.18s CPU 24.87s WALL ( 24737 calls) fft : 0.16s CPU 0.08s WALL ( 19 calls) ffts : 0.03s CPU 0.02s WALL ( 4 calls) fftw : 1624.31s CPU 1184.92s WALL ( 2474292 calls) interpolate : 0.06s CPU 0.03s WALL ( 4 calls) davcio : 0.42s CPU 12.20s WALL ( 812 calls) Parallel routines fft_scatter : 798.80s CPU 743.10s WALL ( 2474315 calls) PWSCF : 45m57.69s CPU 39m37.06s WALL This run was terminated on: 9: 9:17 21Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=