Program PWSCF v.5.4.0 starts on 12Feb2017 at 1:51:46 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./YPbAu.save/ file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 65 28 8 2103 611 97 Max 66 29 9 2108 627 100 Sum 2371 1039 313 75745 22227 3527 bravais-lattice index = 14 lattice parameter (alat) = 8.9915 a.u. unit-cell volume = 514.0296 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.991546 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Pb read from file: /users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Pb 14.00 207.20000 Pb( 1.00) Au 11.00 196.96660 Au( 1.00) Y 11.00 88.90590 Y( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 2 3 120 deg rotation - cryst. axis [0,0,1] -2C3 -2 -3 120 deg rotation - cryst. axis [0,0,1] E 3s_v 4 5 -6 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 6 -4 -5 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 315 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 2) = ( 0.0106383 -0.0061420 0.0086861), wk = 0.0031746 k( 3) = ( 0.0212766 -0.0122841 0.0173723), wk = 0.0031746 k( 4) = ( 0.0319149 -0.0184261 0.0260584), wk = 0.0031746 k( 5) = ( 0.0425532 -0.0245681 0.0347445), wk = 0.0031746 k( 6) = ( 0.0531915 -0.0307101 0.0434307), wk = 0.0031746 k( 7) = ( 0.0638298 -0.0368521 0.0521168), wk = 0.0031746 k( 8) = ( 0.0744681 -0.0429942 0.0608029), wk = 0.0031746 k( 9) = ( 0.0851064 -0.0491362 0.0694891), wk = 0.0031746 k( 10) = ( 0.0957447 -0.0552782 0.0781752), wk = 0.0031746 k( 11) = ( 0.1063830 -0.0614202 0.0868613), wk = 0.0031746 k( 12) = ( 0.1170213 -0.0675623 0.0955475), wk = 0.0031746 k( 13) = ( 0.1276596 -0.0737043 0.1042336), wk = 0.0031746 k( 14) = ( 0.1382979 -0.0798463 0.1129197), wk = 0.0031746 k( 15) = ( 0.1489362 -0.0859883 0.1216059), wk = 0.0031746 k( 16) = ( 0.1595745 -0.0921304 0.1302920), wk = 0.0031746 k( 17) = ( 0.1702128 -0.0982724 0.1389781), wk = 0.0031746 k( 18) = ( 0.1808511 -0.1044144 0.1476643), wk = 0.0031746 k( 19) = ( 0.1914894 -0.1105564 0.1563504), wk = 0.0031746 k( 20) = ( 0.2021277 -0.1166985 0.1650365), wk = 0.0031746 k( 21) = ( 0.2127660 -0.1228405 0.1737227), wk = 0.0031746 k( 22) = ( 0.2234043 -0.1289825 0.1824088), wk = 0.0031746 k( 23) = ( 0.2340425 -0.1351245 0.1910949), wk = 0.0031746 k( 24) = ( 0.2446809 -0.1412666 0.1997811), wk = 0.0031746 k( 25) = ( 0.2553191 -0.1474086 0.2084672), wk = 0.0031746 k( 26) = ( 0.2659574 -0.1535506 0.2171533), wk = 0.0031746 k( 27) = ( 0.2765957 -0.1596926 0.2258395), wk = 0.0031746 k( 28) = ( 0.2872340 -0.1658347 0.2345256), wk = 0.0031746 k( 29) = ( 0.2978723 -0.1719767 0.2432117), wk = 0.0031746 k( 30) = ( 0.3085106 -0.1781187 0.2518979), wk = 0.0031746 k( 31) = ( 0.3191489 -0.1842607 0.2605840), wk = 0.0031746 k( 32) = ( 0.3297872 -0.1904027 0.2692701), wk = 0.0031746 k( 33) = ( 0.3404255 -0.1965448 0.2779563), wk = 0.0031746 k( 34) = ( 0.3510638 -0.2026868 0.2866424), wk = 0.0031746 k( 35) = ( 0.3617021 -0.2088288 0.2953286), wk = 0.0031746 k( 36) = ( 0.3723404 -0.2149708 0.3040147), wk = 0.0031746 k( 37) = ( 0.3829787 -0.2211129 0.3127008), wk = 0.0031746 k( 38) = ( 0.3936170 -0.2272549 0.3213870), wk = 0.0031746 k( 39) = ( 0.4042553 -0.2333969 0.3300731), wk = 0.0031746 k( 40) = ( 0.4148936 -0.2395389 0.3387592), wk = 0.0031746 k( 41) = ( 0.4255319 -0.2456810 0.3474453), wk = 0.0031746 k( 42) = ( 0.4361702 -0.2518230 0.3561315), wk = 0.0031746 k( 43) = ( 0.4468085 -0.2579650 0.3648176), wk = 0.0031746 k( 44) = ( 0.4574468 -0.2641070 0.3735038), wk = 0.0031746 k( 45) = ( 0.4680851 -0.2702491 0.3821899), wk = 0.0031746 k( 46) = ( 0.4787234 -0.2763911 0.3908760), wk = 0.0031746 k( 47) = ( 0.4893617 -0.2825331 0.3995622), wk = 0.0031746 k( 48) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031746 k( 49) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031746 k( 50) = ( 0.5000000 -0.2766470 0.4167535), wk = 0.0031746 k( 51) = ( 0.5000000 -0.2646189 0.4252586), wk = 0.0031746 k( 52) = ( 0.5000000 -0.2525907 0.4337638), wk = 0.0031746 k( 53) = ( 0.5000000 -0.2405626 0.4422690), wk = 0.0031746 k( 54) = ( 0.5000000 -0.2285345 0.4507742), wk = 0.0031746 k( 55) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0031746 k( 56) = ( 0.5000000 -0.2044782 0.4677845), wk = 0.0031746 k( 57) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0031746 k( 58) = ( 0.5000000 -0.1804220 0.4847948), wk = 0.0031746 k( 59) = ( 0.5000000 -0.1683938 0.4933000), wk = 0.0031746 k( 60) = ( 0.5000000 -0.1563657 0.5018052), wk = 0.0031746 k( 61) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0031746 k( 62) = ( 0.5000000 -0.1323094 0.5188155), wk = 0.0031746 k( 63) = ( 0.5000000 -0.1202813 0.5273207), wk = 0.0031746 k( 64) = ( 0.5000000 -0.1082532 0.5358259), wk = 0.0031746 k( 65) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0031746 k( 66) = ( 0.5000000 -0.0841969 0.5528362), wk = 0.0031746 k( 67) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0031746 k( 68) = ( 0.5000000 -0.0601406 0.5698466), wk = 0.0031746 k( 69) = ( 0.5000000 -0.0481125 0.5783517), wk = 0.0031746 k( 70) = ( 0.5000000 -0.0360844 0.5868569), wk = 0.0031746 k( 71) = ( 0.5000000 -0.0240563 0.5953621), wk = 0.0031746 k( 72) = ( 0.5000000 -0.0120281 0.6038673), wk = 0.0031746 k( 73) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0031746 k( 74) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0031746 k( 75) = ( 0.4926471 0.0127357 0.6123724), wk = 0.0031746 k( 76) = ( 0.4852941 0.0254713 0.6123724), wk = 0.0031746 k( 77) = ( 0.4779412 0.0382070 0.6123724), wk = 0.0031746 k( 78) = ( 0.4705882 0.0509427 0.6123724), wk = 0.0031746 k( 79) = ( 0.4632353 0.0636783 0.6123724), wk = 0.0031746 k( 80) = ( 0.4558823 0.0764140 0.6123724), wk = 0.0031746 k( 81) = ( 0.4485294 0.0891497 0.6123724), wk = 0.0031746 k( 82) = ( 0.4411765 0.1018853 0.6123724), wk = 0.0031746 k( 83) = ( 0.4338235 0.1146210 0.6123724), wk = 0.0031746 k( 84) = ( 0.4264706 0.1273567 0.6123724), wk = 0.0031746 k( 85) = ( 0.4191177 0.1400923 0.6123724), wk = 0.0031746 k( 86) = ( 0.4117647 0.1528280 0.6123724), wk = 0.0031746 k( 87) = ( 0.4044118 0.1655637 0.6123724), wk = 0.0031746 k( 88) = ( 0.3970588 0.1782994 0.6123724), wk = 0.0031746 k( 89) = ( 0.3897059 0.1910350 0.6123724), wk = 0.0031746 k( 90) = ( 0.3823529 0.2037707 0.6123724), wk = 0.0031746 k( 91) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031746 k( 92) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031746 k( 93) = ( 0.3675000 0.2121762 0.6001250), wk = 0.0031746 k( 94) = ( 0.3600000 0.2078461 0.5878775), wk = 0.0031746 k( 95) = ( 0.3525000 0.2035160 0.5756301), wk = 0.0031746 k( 96) = ( 0.3450000 0.1991858 0.5633826), wk = 0.0031746 k( 97) = ( 0.3375000 0.1948557 0.5511352), wk = 0.0031746 k( 98) = ( 0.3300000 0.1905256 0.5388877), wk = 0.0031746 k( 99) = ( 0.3225000 0.1861955 0.5266403), wk = 0.0031746 k( 100) = ( 0.3150000 0.1818653 0.5143928), wk = 0.0031746 k( 101) = ( 0.3075000 0.1775352 0.5021454), wk = 0.0031746 k( 102) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0031746 k( 103) = ( 0.2925000 0.1688750 0.4776505), wk = 0.0031746 k( 104) = ( 0.2850000 0.1645448 0.4654031), wk = 0.0031746 k( 105) = ( 0.2775000 0.1602147 0.4531556), wk = 0.0031746 k( 106) = ( 0.2700000 0.1558846 0.4409082), wk = 0.0031746 k( 107) = ( 0.2625000 0.1515544 0.4286607), wk = 0.0031746 k( 108) = ( 0.2550000 0.1472243 0.4164133), wk = 0.0031746 k( 109) = ( 0.2475000 0.1428942 0.4041658), wk = 0.0031746 k( 110) = ( 0.2400000 0.1385641 0.3919184), wk = 0.0031746 k( 111) = ( 0.2325000 0.1342339 0.3796709), wk = 0.0031746 k( 112) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0031746 k( 113) = ( 0.2175000 0.1255737 0.3551760), wk = 0.0031746 k( 114) = ( 0.2100000 0.1212436 0.3429286), wk = 0.0031746 k( 115) = ( 0.2025000 0.1169134 0.3306811), wk = 0.0031746 k( 116) = ( 0.1950000 0.1125833 0.3184337), wk = 0.0031746 k( 117) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0031746 k( 118) = ( 0.1800000 0.1039230 0.2939388), wk = 0.0031746 k( 119) = ( 0.1725000 0.0995929 0.2816913), wk = 0.0031746 k( 120) = ( 0.1650000 0.0952628 0.2694439), wk = 0.0031746 k( 121) = ( 0.1575000 0.0909327 0.2571964), wk = 0.0031746 k( 122) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0031746 k( 123) = ( 0.1425000 0.0822724 0.2327015), wk = 0.0031746 k( 124) = ( 0.1350000 0.0779423 0.2204541), wk = 0.0031746 k( 125) = ( 0.1275000 0.0736122 0.2082066), wk = 0.0031746 k( 126) = ( 0.1200000 0.0692820 0.1959592), wk = 0.0031746 k( 127) = ( 0.1125000 0.0649519 0.1837117), wk = 0.0031746 k( 128) = ( 0.1050000 0.0606218 0.1714643), wk = 0.0031746 k( 129) = ( 0.0975000 0.0562917 0.1592168), wk = 0.0031746 k( 130) = ( 0.0900000 0.0519615 0.1469694), wk = 0.0031746 k( 131) = ( 0.0825000 0.0476314 0.1347219), wk = 0.0031746 k( 132) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0031746 k( 133) = ( 0.0675000 0.0389711 0.1102270), wk = 0.0031746 k( 134) = ( 0.0600000 0.0346410 0.0979796), wk = 0.0031746 k( 135) = ( 0.0525000 0.0303109 0.0857321), wk = 0.0031746 k( 136) = ( 0.0450000 0.0259808 0.0734847), wk = 0.0031746 k( 137) = ( 0.0375000 0.0216506 0.0612372), wk = 0.0031746 k( 138) = ( 0.0300000 0.0173205 0.0489898), wk = 0.0031746 k( 139) = ( 0.0225000 0.0129904 0.0367423), wk = 0.0031746 k( 140) = ( 0.0150000 0.0086603 0.0244949), wk = 0.0031746 k( 141) = ( 0.0075000 0.0043301 0.0122474), wk = 0.0031746 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 144) = ( 0.0121951 0.0070409 0.0049786), wk = 0.0031746 k( 145) = ( 0.0243902 0.0140817 0.0099573), wk = 0.0031746 k( 146) = ( 0.0365854 0.0211226 0.0149359), wk = 0.0031746 k( 147) = ( 0.0487805 0.0281634 0.0199146), wk = 0.0031746 k( 148) = ( 0.0609756 0.0352043 0.0248932), wk = 0.0031746 k( 149) = ( 0.0731707 0.0422451 0.0298718), wk = 0.0031746 k( 150) = ( 0.0853658 0.0492860 0.0348505), wk = 0.0031746 k( 151) = ( 0.0975610 0.0563269 0.0398291), wk = 0.0031746 k( 152) = ( 0.1097561 0.0633677 0.0448077), wk = 0.0031746 k( 153) = ( 0.1219512 0.0704086 0.0497864), wk = 0.0031746 k( 154) = ( 0.1341463 0.0774494 0.0547650), wk = 0.0031746 k( 155) = ( 0.1463415 0.0844903 0.0597437), wk = 0.0031746 k( 156) = ( 0.1585366 0.0915311 0.0647223), wk = 0.0031746 k( 157) = ( 0.1707317 0.0985720 0.0697009), wk = 0.0031746 k( 158) = ( 0.1829268 0.1056129 0.0746796), wk = 0.0031746 k( 159) = ( 0.1951219 0.1126537 0.0796582), wk = 0.0031746 k( 160) = ( 0.2073171 0.1196946 0.0846368), wk = 0.0031746 k( 161) = ( 0.2195122 0.1267354 0.0896155), wk = 0.0031746 k( 162) = ( 0.2317073 0.1337763 0.0945941), wk = 0.0031746 k( 163) = ( 0.2439024 0.1408171 0.0995728), wk = 0.0031746 k( 164) = ( 0.2560976 0.1478580 0.1045514), wk = 0.0031746 k( 165) = ( 0.2682927 0.1548989 0.1095300), wk = 0.0031746 k( 166) = ( 0.2804878 0.1619397 0.1145087), wk = 0.0031746 k( 167) = ( 0.2926829 0.1689806 0.1194873), wk = 0.0031746 k( 168) = ( 0.3048781 0.1760214 0.1244659), wk = 0.0031746 k( 169) = ( 0.3170732 0.1830623 0.1294446), wk = 0.0031746 k( 170) = ( 0.3292683 0.1901031 0.1344232), wk = 0.0031746 k( 171) = ( 0.3414634 0.1971440 0.1394019), wk = 0.0031746 k( 172) = ( 0.3536585 0.2041849 0.1443805), wk = 0.0031746 k( 173) = ( 0.3658537 0.2112257 0.1493591), wk = 0.0031746 k( 174) = ( 0.3780488 0.2182666 0.1543378), wk = 0.0031746 k( 175) = ( 0.3902439 0.2253074 0.1593164), wk = 0.0031746 k( 176) = ( 0.4024390 0.2323483 0.1642950), wk = 0.0031746 k( 177) = ( 0.4146341 0.2393891 0.1692737), wk = 0.0031746 k( 178) = ( 0.4268293 0.2464300 0.1742523), wk = 0.0031746 k( 179) = ( 0.4390244 0.2534708 0.1792310), wk = 0.0031746 k( 180) = ( 0.4512195 0.2605117 0.1842096), wk = 0.0031746 k( 181) = ( 0.4634146 0.2675526 0.1891882), wk = 0.0031746 k( 182) = ( 0.4756098 0.2745934 0.1941669), wk = 0.0031746 k( 183) = ( 0.4878049 0.2816343 0.1991455), wk = 0.0031746 k( 184) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031746 k( 185) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031746 k( 186) = ( 0.5043103 0.2762322 0.2111629), wk = 0.0031746 k( 187) = ( 0.5086207 0.2637893 0.2182017), wk = 0.0031746 k( 188) = ( 0.5129310 0.2513465 0.2252404), wk = 0.0031746 k( 189) = ( 0.5172414 0.2389036 0.2322792), wk = 0.0031746 k( 190) = ( 0.5215517 0.2264607 0.2393180), wk = 0.0031746 k( 191) = ( 0.5258621 0.2140178 0.2463567), wk = 0.0031746 k( 192) = ( 0.5301724 0.2015749 0.2533955), wk = 0.0031746 k( 193) = ( 0.5344828 0.1891320 0.2604343), wk = 0.0031746 k( 194) = ( 0.5387931 0.1766891 0.2674730), wk = 0.0031746 k( 195) = ( 0.5431035 0.1642462 0.2745118), wk = 0.0031746 k( 196) = ( 0.5474138 0.1518033 0.2815505), wk = 0.0031746 k( 197) = ( 0.5517241 0.1393604 0.2885893), wk = 0.0031746 k( 198) = ( 0.5560345 0.1269175 0.2956281), wk = 0.0031746 k( 199) = ( 0.5603448 0.1144746 0.3026668), wk = 0.0031746 k( 200) = ( 0.5646552 0.1020317 0.3097056), wk = 0.0031746 k( 201) = ( 0.5689655 0.0895888 0.3167444), wk = 0.0031746 k( 202) = ( 0.5732759 0.0771459 0.3237831), wk = 0.0031746 k( 203) = ( 0.5775862 0.0647030 0.3308219), wk = 0.0031746 k( 204) = ( 0.5818965 0.0522602 0.3378607), wk = 0.0031746 k( 205) = ( 0.5862069 0.0398173 0.3448994), wk = 0.0031746 k( 206) = ( 0.5905172 0.0273744 0.3519382), wk = 0.0031746 k( 207) = ( 0.5948276 0.0149315 0.3589769), wk = 0.0031746 k( 208) = ( 0.5991379 0.0024886 0.3660157), wk = 0.0031746 k( 209) = ( 0.6034483 -0.0099543 0.3730545), wk = 0.0031746 k( 210) = ( 0.6077586 -0.0223972 0.3800932), wk = 0.0031746 k( 211) = ( 0.6120690 -0.0348401 0.3871320), wk = 0.0031746 k( 212) = ( 0.6163793 -0.0472830 0.3941708), wk = 0.0031746 k( 213) = ( 0.6206897 -0.0597259 0.4012095), wk = 0.0031746 k( 214) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031746 k( 215) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031746 k( 216) = ( 0.6176471 -0.0679236 0.4202556), wk = 0.0031746 k( 217) = ( 0.6102941 -0.0636783 0.4322629), wk = 0.0031746 k( 218) = ( 0.6029412 -0.0594331 0.4442702), wk = 0.0031746 k( 219) = ( 0.5955882 -0.0551879 0.4562775), wk = 0.0031746 k( 220) = ( 0.5882353 -0.0509427 0.4682848), wk = 0.0031746 k( 221) = ( 0.5808823 -0.0466974 0.4802921), wk = 0.0031746 k( 222) = ( 0.5735294 -0.0424522 0.4922994), wk = 0.0031746 k( 223) = ( 0.5661765 -0.0382070 0.5043067), wk = 0.0031746 k( 224) = ( 0.5588235 -0.0339618 0.5163140), wk = 0.0031746 k( 225) = ( 0.5514706 -0.0297166 0.5283213), wk = 0.0031746 k( 226) = ( 0.5441177 -0.0254713 0.5403286), wk = 0.0031746 k( 227) = ( 0.5367647 -0.0212261 0.5523359), wk = 0.0031746 k( 228) = ( 0.5294118 -0.0169809 0.5643432), wk = 0.0031746 k( 229) = ( 0.5220588 -0.0127357 0.5763505), wk = 0.0031746 k( 230) = ( 0.5147059 -0.0084904 0.5883578), wk = 0.0031746 k( 231) = ( 0.5073529 -0.0042452 0.6003651), wk = 0.0031746 k( 232) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0031746 k( 233) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0031746 k( 234) = ( 0.5000000 0.0084904 0.6003651), wk = 0.0031746 k( 235) = ( 0.5000000 0.0169809 0.5883578), wk = 0.0031746 k( 236) = ( 0.5000000 0.0254713 0.5763505), wk = 0.0031746 k( 237) = ( 0.5000000 0.0339618 0.5643432), wk = 0.0031746 k( 238) = ( 0.5000000 0.0424522 0.5523359), wk = 0.0031746 k( 239) = ( 0.5000000 0.0509427 0.5403286), wk = 0.0031746 k( 240) = ( 0.5000000 0.0594331 0.5283213), wk = 0.0031746 k( 241) = ( 0.5000000 0.0679236 0.5163140), wk = 0.0031746 k( 242) = ( 0.5000000 0.0764140 0.5043067), wk = 0.0031746 k( 243) = ( 0.5000000 0.0849044 0.4922994), wk = 0.0031746 k( 244) = ( 0.5000000 0.0933949 0.4802921), wk = 0.0031746 k( 245) = ( 0.5000000 0.1018853 0.4682848), wk = 0.0031746 k( 246) = ( 0.5000000 0.1103758 0.4562775), wk = 0.0031746 k( 247) = ( 0.5000000 0.1188662 0.4442702), wk = 0.0031746 k( 248) = ( 0.5000000 0.1273567 0.4322629), wk = 0.0031746 k( 249) = ( 0.5000000 0.1358471 0.4202556), wk = 0.0031746 k( 250) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0031746 k( 251) = ( 0.5000000 0.1528280 0.3962410), wk = 0.0031746 k( 252) = ( 0.5000000 0.1613185 0.3842337), wk = 0.0031746 k( 253) = ( 0.5000000 0.1698089 0.3722264), wk = 0.0031746 k( 254) = ( 0.5000000 0.1782993 0.3602191), wk = 0.0031746 k( 255) = ( 0.5000000 0.1867898 0.3482118), wk = 0.0031746 k( 256) = ( 0.5000000 0.1952802 0.3362045), wk = 0.0031746 k( 257) = ( 0.5000000 0.2037707 0.3241972), wk = 0.0031746 k( 258) = ( 0.5000000 0.2122611 0.3121899), wk = 0.0031746 k( 259) = ( 0.5000000 0.2207516 0.3001826), wk = 0.0031746 k( 260) = ( 0.5000000 0.2292420 0.2881753), wk = 0.0031746 k( 261) = ( 0.5000000 0.2377325 0.2761680), wk = 0.0031746 k( 262) = ( 0.5000000 0.2462229 0.2641607), wk = 0.0031746 k( 263) = ( 0.5000000 0.2547134 0.2521533), wk = 0.0031746 k( 264) = ( 0.5000000 0.2632038 0.2401460), wk = 0.0031746 k( 265) = ( 0.5000000 0.2716942 0.2281387), wk = 0.0031746 k( 266) = ( 0.5000000 0.2801847 0.2161314), wk = 0.0031746 k( 267) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031746 k( 268) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031746 k( 269) = ( 0.4956897 0.2861866 0.2182017), wk = 0.0031746 k( 270) = ( 0.4913793 0.2836980 0.2322792), wk = 0.0031746 k( 271) = ( 0.4870690 0.2812094 0.2463567), wk = 0.0031746 k( 272) = ( 0.4827586 0.2787208 0.2604343), wk = 0.0031746 k( 273) = ( 0.4784483 0.2762322 0.2745118), wk = 0.0031746 k( 274) = ( 0.4741379 0.2737437 0.2885893), wk = 0.0031746 k( 275) = ( 0.4698276 0.2712551 0.3026668), wk = 0.0031746 k( 276) = ( 0.4655172 0.2687665 0.3167444), wk = 0.0031746 k( 277) = ( 0.4612069 0.2662779 0.3308219), wk = 0.0031746 k( 278) = ( 0.4568966 0.2637893 0.3448994), wk = 0.0031746 k( 279) = ( 0.4525862 0.2613008 0.3589769), wk = 0.0031746 k( 280) = ( 0.4482759 0.2588122 0.3730545), wk = 0.0031746 k( 281) = ( 0.4439655 0.2563236 0.3871320), wk = 0.0031746 k( 282) = ( 0.4396552 0.2538350 0.4012095), wk = 0.0031746 k( 283) = ( 0.4353448 0.2513465 0.4152870), wk = 0.0031746 k( 284) = ( 0.4310345 0.2488579 0.4293646), wk = 0.0031746 k( 285) = ( 0.4267241 0.2463693 0.4434421), wk = 0.0031746 k( 286) = ( 0.4224138 0.2438807 0.4575196), wk = 0.0031746 k( 287) = ( 0.4181034 0.2413921 0.4715972), wk = 0.0031746 k( 288) = ( 0.4137931 0.2389036 0.4856747), wk = 0.0031746 k( 289) = ( 0.4094828 0.2364150 0.4997522), wk = 0.0031746 k( 290) = ( 0.4051724 0.2339264 0.5138297), wk = 0.0031746 k( 291) = ( 0.4008621 0.2314378 0.5279073), wk = 0.0031746 k( 292) = ( 0.3965517 0.2289492 0.5419848), wk = 0.0031746 k( 293) = ( 0.3922414 0.2264607 0.5560623), wk = 0.0031746 k( 294) = ( 0.3879310 0.2239721 0.5701399), wk = 0.0031746 k( 295) = ( 0.3836207 0.2214835 0.5842174), wk = 0.0031746 k( 296) = ( 0.3793103 0.2189949 0.5982949), wk = 0.0031746 k( 297) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031746 k( 298) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031746 k( 299) = ( 0.6176471 -0.0849044 0.4082483), wk = 0.0031746 k( 300) = ( 0.6102941 -0.0976401 0.4082483), wk = 0.0031746 k( 301) = ( 0.6029412 -0.1103758 0.4082483), wk = 0.0031746 k( 302) = ( 0.5955882 -0.1231115 0.4082483), wk = 0.0031746 k( 303) = ( 0.5882353 -0.1358471 0.4082483), wk = 0.0031746 k( 304) = ( 0.5808823 -0.1485828 0.4082483), wk = 0.0031746 k( 305) = ( 0.5735294 -0.1613185 0.4082483), wk = 0.0031746 k( 306) = ( 0.5661765 -0.1740541 0.4082483), wk = 0.0031746 k( 307) = ( 0.5588235 -0.1867898 0.4082483), wk = 0.0031746 k( 308) = ( 0.5514706 -0.1995255 0.4082483), wk = 0.0031746 k( 309) = ( 0.5441177 -0.2122611 0.4082483), wk = 0.0031746 k( 310) = ( 0.5367647 -0.2249968 0.4082483), wk = 0.0031746 k( 311) = ( 0.5294118 -0.2377325 0.4082483), wk = 0.0031746 k( 312) = ( 0.5220588 -0.2504681 0.4082483), wk = 0.0031746 k( 313) = ( 0.5147059 -0.2632038 0.4082483), wk = 0.0031746 k( 314) = ( 0.5073529 -0.2759395 0.4082483), wk = 0.0031746 k( 315) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031746 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 2) = ( 0.0106383 -0.0000000 0.0106383), wk = 0.0031746 k( 3) = ( 0.0212766 -0.0000000 0.0212766), wk = 0.0031746 k( 4) = ( 0.0319149 -0.0000000 0.0319149), wk = 0.0031746 k( 5) = ( 0.0425532 -0.0000000 0.0425532), wk = 0.0031746 k( 6) = ( 0.0531915 -0.0000000 0.0531915), wk = 0.0031746 k( 7) = ( 0.0638298 0.0000000 0.0638298), wk = 0.0031746 k( 8) = ( 0.0744681 0.0000000 0.0744681), wk = 0.0031746 k( 9) = ( 0.0851064 -0.0000000 0.0851064), wk = 0.0031746 k( 10) = ( 0.0957447 -0.0000000 0.0957447), wk = 0.0031746 k( 11) = ( 0.1063830 -0.0000000 0.1063830), wk = 0.0031746 k( 12) = ( 0.1170213 -0.0000000 0.1170213), wk = 0.0031746 k( 13) = ( 0.1276596 0.0000000 0.1276596), wk = 0.0031746 k( 14) = ( 0.1382979 0.0000000 0.1382979), wk = 0.0031746 k( 15) = ( 0.1489362 0.0000000 0.1489362), wk = 0.0031746 k( 16) = ( 0.1595745 0.0000000 0.1595745), wk = 0.0031746 k( 17) = ( 0.1702128 -0.0000000 0.1702128), wk = 0.0031746 k( 18) = ( 0.1808511 -0.0000000 0.1808511), wk = 0.0031746 k( 19) = ( 0.1914894 -0.0000000 0.1914894), wk = 0.0031746 k( 20) = ( 0.2021277 -0.0000000 0.2021277), wk = 0.0031746 k( 21) = ( 0.2127660 -0.0000000 0.2127660), wk = 0.0031746 k( 22) = ( 0.2234043 -0.0000000 0.2234043), wk = 0.0031746 k( 23) = ( 0.2340425 -0.0000000 0.2340425), wk = 0.0031746 k( 24) = ( 0.2446809 -0.0000000 0.2446809), wk = 0.0031746 k( 25) = ( 0.2553191 0.0000000 0.2553191), wk = 0.0031746 k( 26) = ( 0.2659574 0.0000000 0.2659574), wk = 0.0031746 k( 27) = ( 0.2765957 0.0000000 0.2765957), wk = 0.0031746 k( 28) = ( 0.2872340 0.0000000 0.2872340), wk = 0.0031746 k( 29) = ( 0.2978723 0.0000000 0.2978723), wk = 0.0031746 k( 30) = ( 0.3085106 0.0000000 0.3085106), wk = 0.0031746 k( 31) = ( 0.3191489 0.0000000 0.3191489), wk = 0.0031746 k( 32) = ( 0.3297872 0.0000000 0.3297872), wk = 0.0031746 k( 33) = ( 0.3404255 0.0000000 0.3404255), wk = 0.0031746 k( 34) = ( 0.3510638 0.0000000 0.3510638), wk = 0.0031746 k( 35) = ( 0.3617021 0.0000000 0.3617021), wk = 0.0031746 k( 36) = ( 0.3723404 -0.0000000 0.3723404), wk = 0.0031746 k( 37) = ( 0.3829787 -0.0000000 0.3829787), wk = 0.0031746 k( 38) = ( 0.3936170 -0.0000000 0.3936170), wk = 0.0031746 k( 39) = ( 0.4042553 -0.0000000 0.4042553), wk = 0.0031746 k( 40) = ( 0.4148936 -0.0000000 0.4148936), wk = 0.0031746 k( 41) = ( 0.4255319 -0.0000000 0.4255319), wk = 0.0031746 k( 42) = ( 0.4361702 -0.0000000 0.4361702), wk = 0.0031746 k( 43) = ( 0.4468085 -0.0000000 0.4468085), wk = 0.0031746 k( 44) = ( 0.4574468 -0.0000000 0.4574468), wk = 0.0031746 k( 45) = ( 0.4680851 -0.0000000 0.4680851), wk = 0.0031746 k( 46) = ( 0.4787234 -0.0000000 0.4787234), wk = 0.0031746 k( 47) = ( 0.4893617 -0.0000000 0.4893617), wk = 0.0031746 k( 48) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031746 k( 49) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031746 k( 50) = ( 0.5000000 0.0104167 0.5104167), wk = 0.0031746 k( 51) = ( 0.5000000 0.0208333 0.5208333), wk = 0.0031746 k( 52) = ( 0.5000000 0.0312500 0.5312500), wk = 0.0031746 k( 53) = ( 0.5000000 0.0416667 0.5416667), wk = 0.0031746 k( 54) = ( 0.5000000 0.0520833 0.5520833), wk = 0.0031746 k( 55) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0031746 k( 56) = ( 0.5000000 0.0729167 0.5729167), wk = 0.0031746 k( 57) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0031746 k( 58) = ( 0.5000000 0.0937500 0.5937500), wk = 0.0031746 k( 59) = ( 0.5000000 0.1041667 0.6041667), wk = 0.0031746 k( 60) = ( 0.5000000 0.1145833 0.6145833), wk = 0.0031746 k( 61) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0031746 k( 62) = ( 0.5000000 0.1354167 0.6354167), wk = 0.0031746 k( 63) = ( 0.5000000 0.1458333 0.6458333), wk = 0.0031746 k( 64) = ( 0.5000000 0.1562500 0.6562500), wk = 0.0031746 k( 65) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0031746 k( 66) = ( 0.5000000 0.1770833 0.6770833), wk = 0.0031746 k( 67) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0031746 k( 68) = ( 0.5000000 0.1979167 0.6979167), wk = 0.0031746 k( 69) = ( 0.5000000 0.2083333 0.7083333), wk = 0.0031746 k( 70) = ( 0.5000000 0.2187500 0.7187500), wk = 0.0031746 k( 71) = ( 0.5000000 0.2291667 0.7291667), wk = 0.0031746 k( 72) = ( 0.5000000 0.2395833 0.7395833), wk = 0.0031746 k( 73) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031746 k( 74) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031746 k( 75) = ( 0.4926471 0.2573529 0.7500000), wk = 0.0031746 k( 76) = ( 0.4852941 0.2647059 0.7500000), wk = 0.0031746 k( 77) = ( 0.4779412 0.2720588 0.7500000), wk = 0.0031746 k( 78) = ( 0.4705882 0.2794118 0.7500000), wk = 0.0031746 k( 79) = ( 0.4632353 0.2867647 0.7500000), wk = 0.0031746 k( 80) = ( 0.4558823 0.2941177 0.7500000), wk = 0.0031746 k( 81) = ( 0.4485294 0.3014706 0.7500000), wk = 0.0031746 k( 82) = ( 0.4411765 0.3088235 0.7500000), wk = 0.0031746 k( 83) = ( 0.4338235 0.3161765 0.7500000), wk = 0.0031746 k( 84) = ( 0.4264706 0.3235294 0.7500000), wk = 0.0031746 k( 85) = ( 0.4191177 0.3308824 0.7500000), wk = 0.0031746 k( 86) = ( 0.4117647 0.3382353 0.7500000), wk = 0.0031746 k( 87) = ( 0.4044118 0.3455882 0.7500000), wk = 0.0031746 k( 88) = ( 0.3970588 0.3529412 0.7500000), wk = 0.0031746 k( 89) = ( 0.3897059 0.3602941 0.7500000), wk = 0.0031746 k( 90) = ( 0.3823529 0.3676471 0.7500000), wk = 0.0031746 k( 91) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031746 k( 92) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031746 k( 93) = ( 0.3675000 0.3675000 0.7350000), wk = 0.0031746 k( 94) = ( 0.3600000 0.3600000 0.7200000), wk = 0.0031746 k( 95) = ( 0.3525000 0.3525000 0.7050000), wk = 0.0031746 k( 96) = ( 0.3450000 0.3450000 0.6900000), wk = 0.0031746 k( 97) = ( 0.3375000 0.3375000 0.6750000), wk = 0.0031746 k( 98) = ( 0.3300000 0.3300000 0.6600000), wk = 0.0031746 k( 99) = ( 0.3225000 0.3225000 0.6450000), wk = 0.0031746 k( 100) = ( 0.3150000 0.3150000 0.6300000), wk = 0.0031746 k( 101) = ( 0.3075000 0.3075000 0.6150000), wk = 0.0031746 k( 102) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0031746 k( 103) = ( 0.2925000 0.2925000 0.5850000), wk = 0.0031746 k( 104) = ( 0.2850000 0.2850000 0.5700000), wk = 0.0031746 k( 105) = ( 0.2775000 0.2775000 0.5550000), wk = 0.0031746 k( 106) = ( 0.2700000 0.2700000 0.5400000), wk = 0.0031746 k( 107) = ( 0.2625000 0.2625000 0.5250000), wk = 0.0031746 k( 108) = ( 0.2550000 0.2550000 0.5100000), wk = 0.0031746 k( 109) = ( 0.2475000 0.2475000 0.4950000), wk = 0.0031746 k( 110) = ( 0.2400000 0.2400000 0.4800000), wk = 0.0031746 k( 111) = ( 0.2325000 0.2325000 0.4650000), wk = 0.0031746 k( 112) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0031746 k( 113) = ( 0.2175000 0.2175000 0.4350000), wk = 0.0031746 k( 114) = ( 0.2100000 0.2100000 0.4200000), wk = 0.0031746 k( 115) = ( 0.2025000 0.2025000 0.4050000), wk = 0.0031746 k( 116) = ( 0.1950000 0.1950000 0.3900000), wk = 0.0031746 k( 117) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0031746 k( 118) = ( 0.1800000 0.1800000 0.3600000), wk = 0.0031746 k( 119) = ( 0.1725000 0.1725000 0.3450000), wk = 0.0031746 k( 120) = ( 0.1650000 0.1650000 0.3300000), wk = 0.0031746 k( 121) = ( 0.1575000 0.1575000 0.3150000), wk = 0.0031746 k( 122) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0031746 k( 123) = ( 0.1425000 0.1425000 0.2850000), wk = 0.0031746 k( 124) = ( 0.1350000 0.1350000 0.2700000), wk = 0.0031746 k( 125) = ( 0.1275000 0.1275000 0.2550000), wk = 0.0031746 k( 126) = ( 0.1200000 0.1200000 0.2400000), wk = 0.0031746 k( 127) = ( 0.1125000 0.1125000 0.2250000), wk = 0.0031746 k( 128) = ( 0.1050000 0.1050000 0.2100000), wk = 0.0031746 k( 129) = ( 0.0975000 0.0975000 0.1950000), wk = 0.0031746 k( 130) = ( 0.0900000 0.0900000 0.1800000), wk = 0.0031746 k( 131) = ( 0.0825000 0.0825000 0.1650000), wk = 0.0031746 k( 132) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0031746 k( 133) = ( 0.0675000 0.0675000 0.1350000), wk = 0.0031746 k( 134) = ( 0.0600000 0.0600000 0.1200000), wk = 0.0031746 k( 135) = ( 0.0525000 0.0525000 0.1050000), wk = 0.0031746 k( 136) = ( 0.0450000 0.0450000 0.0900000), wk = 0.0031746 k( 137) = ( 0.0375000 0.0375000 0.0750000), wk = 0.0031746 k( 138) = ( 0.0300000 0.0300000 0.0600000), wk = 0.0031746 k( 139) = ( 0.0225000 0.0225000 0.0450000), wk = 0.0031746 k( 140) = ( 0.0150000 0.0150000 0.0300000), wk = 0.0031746 k( 141) = ( 0.0075000 0.0075000 0.0150000), wk = 0.0031746 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 144) = ( 0.0121951 0.0121951 0.0121951), wk = 0.0031746 k( 145) = ( 0.0243902 0.0243902 0.0243902), wk = 0.0031746 k( 146) = ( 0.0365854 0.0365854 0.0365854), wk = 0.0031746 k( 147) = ( 0.0487805 0.0487805 0.0487805), wk = 0.0031746 k( 148) = ( 0.0609756 0.0609756 0.0609756), wk = 0.0031746 k( 149) = ( 0.0731707 0.0731707 0.0731707), wk = 0.0031746 k( 150) = ( 0.0853658 0.0853659 0.0853658), wk = 0.0031746 k( 151) = ( 0.0975610 0.0975610 0.0975610), wk = 0.0031746 k( 152) = ( 0.1097561 0.1097561 0.1097561), wk = 0.0031746 k( 153) = ( 0.1219512 0.1219512 0.1219512), wk = 0.0031746 k( 154) = ( 0.1341463 0.1341463 0.1341463), wk = 0.0031746 k( 155) = ( 0.1463415 0.1463415 0.1463415), wk = 0.0031746 k( 156) = ( 0.1585366 0.1585366 0.1585366), wk = 0.0031746 k( 157) = ( 0.1707317 0.1707317 0.1707317), wk = 0.0031746 k( 158) = ( 0.1829268 0.1829268 0.1829268), wk = 0.0031746 k( 159) = ( 0.1951219 0.1951219 0.1951220), wk = 0.0031746 k( 160) = ( 0.2073171 0.2073171 0.2073171), wk = 0.0031746 k( 161) = ( 0.2195122 0.2195122 0.2195122), wk = 0.0031746 k( 162) = ( 0.2317073 0.2317073 0.2317073), wk = 0.0031746 k( 163) = ( 0.2439024 0.2439024 0.2439024), wk = 0.0031746 k( 164) = ( 0.2560976 0.2560976 0.2560976), wk = 0.0031746 k( 165) = ( 0.2682927 0.2682927 0.2682927), wk = 0.0031746 k( 166) = ( 0.2804878 0.2804878 0.2804878), wk = 0.0031746 k( 167) = ( 0.2926829 0.2926829 0.2926829), wk = 0.0031746 k( 168) = ( 0.3048781 0.3048781 0.3048781), wk = 0.0031746 k( 169) = ( 0.3170732 0.3170732 0.3170732), wk = 0.0031746 k( 170) = ( 0.3292683 0.3292683 0.3292683), wk = 0.0031746 k( 171) = ( 0.3414634 0.3414634 0.3414634), wk = 0.0031746 k( 172) = ( 0.3536585 0.3536585 0.3536585), wk = 0.0031746 k( 173) = ( 0.3658537 0.3658537 0.3658537), wk = 0.0031746 k( 174) = ( 0.3780488 0.3780488 0.3780488), wk = 0.0031746 k( 175) = ( 0.3902439 0.3902439 0.3902439), wk = 0.0031746 k( 176) = ( 0.4024390 0.4024390 0.4024390), wk = 0.0031746 k( 177) = ( 0.4146341 0.4146341 0.4146342), wk = 0.0031746 k( 178) = ( 0.4268293 0.4268293 0.4268293), wk = 0.0031746 k( 179) = ( 0.4390244 0.4390244 0.4390244), wk = 0.0031746 k( 180) = ( 0.4512195 0.4512195 0.4512195), wk = 0.0031746 k( 181) = ( 0.4634146 0.4634146 0.4634146), wk = 0.0031746 k( 182) = ( 0.4756098 0.4756098 0.4756098), wk = 0.0031746 k( 183) = ( 0.4878049 0.4878049 0.4878049), wk = 0.0031746 k( 184) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 185) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 186) = ( 0.5043103 0.4913793 0.5043103), wk = 0.0031746 k( 187) = ( 0.5086207 0.4827586 0.5086207), wk = 0.0031746 k( 188) = ( 0.5129310 0.4741379 0.5129310), wk = 0.0031746 k( 189) = ( 0.5172414 0.4655172 0.5172414), wk = 0.0031746 k( 190) = ( 0.5215517 0.4568966 0.5215517), wk = 0.0031746 k( 191) = ( 0.5258621 0.4482759 0.5258621), wk = 0.0031746 k( 192) = ( 0.5301724 0.4396552 0.5301724), wk = 0.0031746 k( 193) = ( 0.5344828 0.4310345 0.5344828), wk = 0.0031746 k( 194) = ( 0.5387931 0.4224138 0.5387931), wk = 0.0031746 k( 195) = ( 0.5431035 0.4137931 0.5431035), wk = 0.0031746 k( 196) = ( 0.5474138 0.4051724 0.5474138), wk = 0.0031746 k( 197) = ( 0.5517241 0.3965517 0.5517241), wk = 0.0031746 k( 198) = ( 0.5560345 0.3879310 0.5560345), wk = 0.0031746 k( 199) = ( 0.5603448 0.3793103 0.5603448), wk = 0.0031746 k( 200) = ( 0.5646552 0.3706897 0.5646552), wk = 0.0031746 k( 201) = ( 0.5689655 0.3620690 0.5689655), wk = 0.0031746 k( 202) = ( 0.5732759 0.3534483 0.5732759), wk = 0.0031746 k( 203) = ( 0.5775862 0.3448276 0.5775862), wk = 0.0031746 k( 204) = ( 0.5818965 0.3362069 0.5818965), wk = 0.0031746 k( 205) = ( 0.5862069 0.3275862 0.5862069), wk = 0.0031746 k( 206) = ( 0.5905172 0.3189655 0.5905172), wk = 0.0031746 k( 207) = ( 0.5948276 0.3103448 0.5948276), wk = 0.0031746 k( 208) = ( 0.5991379 0.3017241 0.5991379), wk = 0.0031746 k( 209) = ( 0.6034483 0.2931034 0.6034483), wk = 0.0031746 k( 210) = ( 0.6077586 0.2844828 0.6077586), wk = 0.0031746 k( 211) = ( 0.6120690 0.2758621 0.6120690), wk = 0.0031746 k( 212) = ( 0.6163793 0.2672414 0.6163793), wk = 0.0031746 k( 213) = ( 0.6206897 0.2586207 0.6206897), wk = 0.0031746 k( 214) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031746 k( 215) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031746 k( 216) = ( 0.6176471 0.2500000 0.6323529), wk = 0.0031746 k( 217) = ( 0.6102941 0.2500000 0.6397059), wk = 0.0031746 k( 218) = ( 0.6029412 0.2500000 0.6470588), wk = 0.0031746 k( 219) = ( 0.5955882 0.2500000 0.6544118), wk = 0.0031746 k( 220) = ( 0.5882353 0.2500000 0.6617647), wk = 0.0031746 k( 221) = ( 0.5808823 0.2500000 0.6691177), wk = 0.0031746 k( 222) = ( 0.5735294 0.2500000 0.6764706), wk = 0.0031746 k( 223) = ( 0.5661765 0.2500000 0.6838235), wk = 0.0031746 k( 224) = ( 0.5588235 0.2500000 0.6911765), wk = 0.0031746 k( 225) = ( 0.5514706 0.2500000 0.6985294), wk = 0.0031746 k( 226) = ( 0.5441177 0.2500000 0.7058823), wk = 0.0031746 k( 227) = ( 0.5367647 0.2500000 0.7132353), wk = 0.0031746 k( 228) = ( 0.5294118 0.2500000 0.7205882), wk = 0.0031746 k( 229) = ( 0.5220588 0.2500000 0.7279412), wk = 0.0031746 k( 230) = ( 0.5147059 0.2500000 0.7352941), wk = 0.0031746 k( 231) = ( 0.5073529 0.2500000 0.7426471), wk = 0.0031746 k( 232) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031746 k( 233) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031746 k( 234) = ( 0.5000000 0.2573529 0.7426471), wk = 0.0031746 k( 235) = ( 0.5000000 0.2647059 0.7352941), wk = 0.0031746 k( 236) = ( 0.5000000 0.2720588 0.7279412), wk = 0.0031746 k( 237) = ( 0.5000000 0.2794118 0.7205882), wk = 0.0031746 k( 238) = ( 0.5000000 0.2867647 0.7132353), wk = 0.0031746 k( 239) = ( 0.5000000 0.2941177 0.7058823), wk = 0.0031746 k( 240) = ( 0.5000000 0.3014706 0.6985294), wk = 0.0031746 k( 241) = ( 0.5000000 0.3088235 0.6911765), wk = 0.0031746 k( 242) = ( 0.5000000 0.3161765 0.6838235), wk = 0.0031746 k( 243) = ( 0.5000000 0.3235294 0.6764706), wk = 0.0031746 k( 244) = ( 0.5000000 0.3308823 0.6691177), wk = 0.0031746 k( 245) = ( 0.5000000 0.3382353 0.6617647), wk = 0.0031746 k( 246) = ( 0.5000000 0.3455882 0.6544118), wk = 0.0031746 k( 247) = ( 0.5000000 0.3529412 0.6470588), wk = 0.0031746 k( 248) = ( 0.5000000 0.3602941 0.6397059), wk = 0.0031746 k( 249) = ( 0.5000000 0.3676471 0.6323529), wk = 0.0031746 k( 250) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0031746 k( 251) = ( 0.5000000 0.3823529 0.6176471), wk = 0.0031746 k( 252) = ( 0.5000000 0.3897059 0.6102941), wk = 0.0031746 k( 253) = ( 0.5000000 0.3970588 0.6029412), wk = 0.0031746 k( 254) = ( 0.5000000 0.4044118 0.5955882), wk = 0.0031746 k( 255) = ( 0.5000000 0.4117647 0.5882353), wk = 0.0031746 k( 256) = ( 0.5000000 0.4191177 0.5808824), wk = 0.0031746 k( 257) = ( 0.5000000 0.4264706 0.5735294), wk = 0.0031746 k( 258) = ( 0.5000000 0.4338235 0.5661765), wk = 0.0031746 k( 259) = ( 0.5000000 0.4411765 0.5588235), wk = 0.0031746 k( 260) = ( 0.5000000 0.4485294 0.5514706), wk = 0.0031746 k( 261) = ( 0.5000000 0.4558824 0.5441177), wk = 0.0031746 k( 262) = ( 0.5000000 0.4632353 0.5367647), wk = 0.0031746 k( 263) = ( 0.5000000 0.4705882 0.5294118), wk = 0.0031746 k( 264) = ( 0.5000000 0.4779412 0.5220588), wk = 0.0031746 k( 265) = ( 0.5000000 0.4852941 0.5147059), wk = 0.0031746 k( 266) = ( 0.5000000 0.4926471 0.5073529), wk = 0.0031746 k( 267) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 268) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 269) = ( 0.4956897 0.4956897 0.5086207), wk = 0.0031746 k( 270) = ( 0.4913793 0.4913793 0.5172414), wk = 0.0031746 k( 271) = ( 0.4870690 0.4870690 0.5258621), wk = 0.0031746 k( 272) = ( 0.4827586 0.4827586 0.5344828), wk = 0.0031746 k( 273) = ( 0.4784483 0.4784483 0.5431035), wk = 0.0031746 k( 274) = ( 0.4741379 0.4741379 0.5517241), wk = 0.0031746 k( 275) = ( 0.4698276 0.4698276 0.5603448), wk = 0.0031746 k( 276) = ( 0.4655172 0.4655172 0.5689655), wk = 0.0031746 k( 277) = ( 0.4612069 0.4612069 0.5775862), wk = 0.0031746 k( 278) = ( 0.4568966 0.4568966 0.5862069), wk = 0.0031746 k( 279) = ( 0.4525862 0.4525862 0.5948276), wk = 0.0031746 k( 280) = ( 0.4482759 0.4482759 0.6034483), wk = 0.0031746 k( 281) = ( 0.4439655 0.4439655 0.6120690), wk = 0.0031746 k( 282) = ( 0.4396552 0.4396552 0.6206897), wk = 0.0031746 k( 283) = ( 0.4353448 0.4353448 0.6293103), wk = 0.0031746 k( 284) = ( 0.4310345 0.4310345 0.6379310), wk = 0.0031746 k( 285) = ( 0.4267241 0.4267241 0.6465517), wk = 0.0031746 k( 286) = ( 0.4224138 0.4224138 0.6551724), wk = 0.0031746 k( 287) = ( 0.4181034 0.4181034 0.6637931), wk = 0.0031746 k( 288) = ( 0.4137931 0.4137931 0.6724138), wk = 0.0031746 k( 289) = ( 0.4094828 0.4094828 0.6810345), wk = 0.0031746 k( 290) = ( 0.4051724 0.4051724 0.6896552), wk = 0.0031746 k( 291) = ( 0.4008621 0.4008621 0.6982759), wk = 0.0031746 k( 292) = ( 0.3965517 0.3965517 0.7068965), wk = 0.0031746 k( 293) = ( 0.3922414 0.3922414 0.7155172), wk = 0.0031746 k( 294) = ( 0.3879310 0.3879310 0.7241379), wk = 0.0031746 k( 295) = ( 0.3836207 0.3836207 0.7327586), wk = 0.0031746 k( 296) = ( 0.3793103 0.3793103 0.7413793), wk = 0.0031746 k( 297) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031746 k( 298) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031746 k( 299) = ( 0.6176471 0.2352941 0.6176471), wk = 0.0031746 k( 300) = ( 0.6102941 0.2205882 0.6102941), wk = 0.0031746 k( 301) = ( 0.6029412 0.2058823 0.6029412), wk = 0.0031746 k( 302) = ( 0.5955882 0.1911765 0.5955882), wk = 0.0031746 k( 303) = ( 0.5882353 0.1764706 0.5882353), wk = 0.0031746 k( 304) = ( 0.5808823 0.1617647 0.5808823), wk = 0.0031746 k( 305) = ( 0.5735294 0.1470588 0.5735294), wk = 0.0031746 k( 306) = ( 0.5661765 0.1323529 0.5661765), wk = 0.0031746 k( 307) = ( 0.5588235 0.1176471 0.5588235), wk = 0.0031746 k( 308) = ( 0.5514706 0.1029412 0.5514706), wk = 0.0031746 k( 309) = ( 0.5441177 0.0882353 0.5441177), wk = 0.0031746 k( 310) = ( 0.5367647 0.0735294 0.5367647), wk = 0.0031746 k( 311) = ( 0.5294118 0.0588235 0.5294118), wk = 0.0031746 k( 312) = ( 0.5220588 0.0441176 0.5220588), wk = 0.0031746 k( 313) = ( 0.5147059 0.0294118 0.5147059), wk = 0.0031746 k( 314) = ( 0.5073529 0.0147059 0.5073529), wk = 0.0031746 k( 315) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031746 Dense grid: 75745 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 22227 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 172, 44) NL pseudopotentials 0.13 Mb ( 86, 102) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2104) G-vector shells 0.00 Mb ( 516) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.46 Mb ( 172, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.14 Mb ( 102, 2, 44) The potential is recalculated from file : ./YPbAu.save/charge-density.dat Starting wfc are 62 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 4.6 secs Computing kpt #: 4 total cpu time spent up to now is 5.0 secs Computing kpt #: 5 total cpu time spent up to now is 5.5 secs Computing kpt #: 6 total cpu time spent up to now is 5.9 secs Computing kpt #: 7 total cpu time spent up to now is 6.4 secs Computing kpt #: 8 total cpu time spent up to now is 6.9 secs Computing kpt #: 9 total cpu time spent up to now is 7.4 secs Computing kpt #: 10 total cpu time spent up to now is 7.9 secs Computing kpt #: 11 total cpu time spent up to now is 8.3 secs Computing kpt #: 12 total cpu time spent up to now is 8.8 secs Computing kpt #: 13 total cpu time spent up to now is 9.2 secs Computing kpt #: 14 total cpu time spent up to now is 9.7 secs Computing kpt #: 15 total cpu time spent up to now is 10.2 secs Computing kpt #: 16 total cpu time spent up to now is 10.7 secs Computing kpt #: 17 total cpu time spent up to now is 11.2 secs Computing kpt #: 18 total cpu time spent up to now is 11.7 secs Computing kpt #: 19 total cpu time spent up to now is 12.2 secs Computing kpt #: 20 total cpu time spent up to now is 12.8 secs Computing kpt #: 21 total cpu time spent up to now is 13.3 secs Computing kpt #: 22 total cpu time spent up to now is 13.9 secs Computing kpt #: 23 total cpu time spent up to now is 14.4 secs Computing kpt #: 24 total cpu time spent up to now is 14.9 secs Computing kpt #: 25 total cpu time spent up to now is 15.5 secs Computing kpt #: 26 total cpu time spent up to now is 16.0 secs Computing kpt #: 27 total cpu time spent up to now is 16.6 secs Computing kpt #: 28 total cpu time spent up to now is 17.2 secs Computing kpt #: 29 total cpu time spent up to now is 17.8 secs Computing kpt #: 30 total cpu time spent up to now is 18.4 secs Computing kpt #: 31 total cpu time spent up to now is 19.0 secs Computing kpt #: 32 total cpu time spent up to now is 19.5 secs Computing kpt #: 33 total cpu time spent up to now is 20.0 secs Computing kpt #: 34 total cpu time spent up to now is 20.5 secs Computing kpt #: 35 total cpu time spent up to now is 21.0 secs Computing kpt #: 36 total cpu time spent up to now is 21.5 secs Computing kpt #: 37 total cpu time spent up to now is 22.2 secs Computing kpt #: 38 total cpu time spent up to now is 22.8 secs Computing kpt #: 39 total cpu time spent up to now is 23.4 secs Computing kpt #: 40 total cpu time spent up to now is 24.1 secs Computing kpt #: 41 total cpu time spent up to now is 24.8 secs Computing kpt #: 42 total cpu time spent up to now is 25.3 secs Computing kpt #: 43 total cpu time spent up to now is 26.0 secs Computing kpt #: 44 total cpu time spent up to now is 26.7 secs Computing kpt #: 45 total cpu time spent up to now is 27.3 secs Computing kpt #: 46 total cpu time spent up to now is 28.0 secs Computing kpt #: 47 total cpu time spent up to now is 28.7 secs Computing kpt #: 48 total cpu time spent up to now is 29.4 secs Computing kpt #: 49 total cpu time spent up to now is 29.9 secs Computing kpt #: 50 total cpu time spent up to now is 30.6 secs Computing kpt #: 51 total cpu time spent up to now is 31.3 secs Computing kpt #: 52 total cpu time spent up to now is 31.9 secs Computing kpt #: 53 total cpu time spent up to now is 32.6 secs Computing kpt #: 54 total cpu time spent up to now is 33.3 secs Computing kpt #: 55 total cpu time spent up to now is 34.1 secs Computing kpt #: 56 total cpu time spent up to now is 34.7 secs Computing kpt #: 57 total cpu time spent up to now is 35.4 secs Computing kpt #: 58 total cpu time spent up to now is 35.9 secs Computing kpt #: 59 total cpu time spent up to now is 36.5 secs Computing kpt #: 60 total cpu time spent up to now is 36.9 secs Computing kpt #: 61 total cpu time spent up to now is 37.4 secs Computing kpt #: 62 total cpu time spent up to now is 37.9 secs Computing kpt #: 63 total cpu time spent up to now is 38.4 secs Computing kpt #: 64 total cpu time spent up to now is 38.9 secs Computing kpt #: 65 total cpu time spent up to now is 39.3 secs Computing kpt #: 66 total cpu time spent up to now is 39.8 secs Computing kpt #: 67 total cpu time spent up to now is 40.3 secs Computing kpt #: 68 total cpu time spent up to now is 40.7 secs Computing kpt #: 69 total cpu time spent up to now is 41.2 secs Computing kpt #: 70 total cpu time spent up to now is 41.7 secs Computing kpt #: 71 total cpu time spent up to now is 42.1 secs Computing kpt #: 72 total cpu time spent up to now is 42.7 secs Computing kpt #: 73 total cpu time spent up to now is 43.3 secs Computing kpt #: 74 total cpu time spent up to now is 43.7 secs Computing kpt #: 75 total cpu time spent up to now is 44.2 secs Computing kpt #: 76 total cpu time spent up to now is 44.7 secs Computing kpt #: 77 total cpu time spent up to now is 45.1 secs Computing kpt #: 78 total cpu time spent up to now is 45.8 secs Computing kpt #: 79 total cpu time spent up to now is 46.4 secs Computing kpt #: 80 total cpu time spent up to now is 47.0 secs Computing kpt #: 81 total cpu time spent up to now is 47.6 secs Computing kpt #: 82 total cpu time spent up to now is 48.2 secs Computing kpt #: 83 total cpu time spent up to now is 48.8 secs Computing kpt #: 84 total cpu time spent up to now is 49.5 secs Computing kpt #: 85 total cpu time spent up to now is 50.1 secs Computing kpt #: 86 total cpu time spent up to now is 50.7 secs Computing kpt #: 87 total cpu time spent up to now is 51.4 secs Computing kpt #: 88 total cpu time spent up to now is 52.1 secs Computing kpt #: 89 total cpu time spent up to now is 52.8 secs Computing kpt #: 90 total cpu time spent up to now is 53.6 secs Computing kpt #: 91 total cpu time spent up to now is 54.7 secs Computing kpt #: 92 total cpu time spent up to now is 55.6 secs Computing kpt #: 93 total cpu time spent up to now is 56.3 secs Computing kpt #: 94 total cpu time spent up to now is 57.0 secs Computing kpt #: 95 total cpu time spent up to now is 57.6 secs Computing kpt #: 96 total cpu time spent up to now is 58.2 secs Computing kpt #: 97 total cpu time spent up to now is 58.8 secs Computing kpt #: 98 total cpu time spent up to now is 59.4 secs Computing kpt #: 99 total cpu time spent up to now is 59.9 secs Computing kpt #: 100 total cpu time spent up to now is 60.4 secs Computing kpt #: 101 total cpu time spent up to now is 61.0 secs Computing kpt #: 102 total cpu time spent up to now is 61.6 secs Computing kpt #: 103 total cpu time spent up to now is 62.2 secs Computing kpt #: 104 total cpu time spent up to now is 62.8 secs Computing kpt #: 105 total cpu time spent up to now is 63.4 secs Computing kpt #: 106 total cpu time spent up to now is 64.1 secs Computing kpt #: 107 total cpu time spent up to now is 64.8 secs Computing kpt #: 108 total cpu time spent up to now is 65.5 secs Computing kpt #: 109 total cpu time spent up to now is 66.3 secs Computing kpt #: 110 total cpu time spent up to now is 67.0 secs Computing kpt #: 111 total cpu time spent up to now is 67.7 secs Computing kpt #: 112 total cpu time spent up to now is 68.5 secs Computing kpt #: 113 total cpu time spent up to now is 69.2 secs Computing kpt #: 114 total cpu time spent up to now is 69.8 secs Computing kpt #: 115 total cpu time spent up to now is 70.4 secs Computing kpt #: 116 total cpu time spent up to now is 70.9 secs Computing kpt #: 117 total cpu time spent up to now is 71.4 secs Computing kpt #: 118 total cpu time spent up to now is 71.9 secs Computing kpt #: 119 total cpu time spent up to now is 72.3 secs Computing kpt #: 120 total cpu time spent up to now is 72.8 secs Computing kpt #: 121 total cpu time spent up to now is 73.3 secs Computing kpt #: 122 total cpu time spent up to now is 73.7 secs Computing kpt #: 123 total cpu time spent up to now is 74.3 secs Computing kpt #: 124 total cpu time spent up to now is 74.7 secs Computing kpt #: 125 total cpu time spent up to now is 75.3 secs Computing kpt #: 126 total cpu time spent up to now is 75.8 secs Computing kpt #: 127 total cpu time spent up to now is 76.3 secs Computing kpt #: 128 total cpu time spent up to now is 76.7 secs Computing kpt #: 129 total cpu time spent up to now is 77.3 secs Computing kpt #: 130 total cpu time spent up to now is 77.7 secs Computing kpt #: 131 total cpu time spent up to now is 78.3 secs Computing kpt #: 132 total cpu time spent up to now is 78.8 secs Computing kpt #: 133 total cpu time spent up to now is 79.3 secs Computing kpt #: 134 total cpu time spent up to now is 79.8 secs Computing kpt #: 135 total cpu time spent up to now is 80.4 secs Computing kpt #: 136 total cpu time spent up to now is 80.9 secs Computing kpt #: 137 total cpu time spent up to now is 81.3 secs Computing kpt #: 138 total cpu time spent up to now is 81.9 secs Computing kpt #: 139 total cpu time spent up to now is 82.4 secs Computing kpt #: 140 total cpu time spent up to now is 82.9 secs Computing kpt #: 141 total cpu time spent up to now is 83.3 secs Computing kpt #: 142 total cpu time spent up to now is 83.9 secs Computing kpt #: 143 total cpu time spent up to now is 84.3 secs Computing kpt #: 144 total cpu time spent up to now is 84.9 secs Computing kpt #: 145 total cpu time spent up to now is 85.3 secs Computing kpt #: 146 total cpu time spent up to now is 85.9 secs Computing kpt #: 147 total cpu time spent up to now is 86.4 secs Computing kpt #: 148 total cpu time spent up to now is 86.9 secs Computing kpt #: 149 total cpu time spent up to now is 87.3 secs Computing kpt #: 150 total cpu time spent up to now is 87.8 secs Computing kpt #: 151 total cpu time spent up to now is 88.3 secs Computing kpt #: 152 total cpu time spent up to now is 88.9 secs Computing kpt #: 153 total cpu time spent up to now is 89.3 secs Computing kpt #: 154 total cpu time spent up to now is 89.9 secs Computing kpt #: 155 total cpu time spent up to now is 90.4 secs Computing kpt #: 156 total cpu time spent up to now is 90.9 secs Computing kpt #: 157 total cpu time spent up to now is 91.3 secs Computing kpt #: 158 total cpu time spent up to now is 91.9 secs Computing kpt #: 159 total cpu time spent up to now is 92.4 secs Computing kpt #: 160 total cpu time spent up to now is 92.9 secs Computing kpt #: 161 total cpu time spent up to now is 93.4 secs Computing kpt #: 162 total cpu time spent up to now is 93.9 secs Computing kpt #: 163 total cpu time spent up to now is 94.4 secs Computing kpt #: 164 total cpu time spent up to now is 95.0 secs Computing kpt #: 165 total cpu time spent up to now is 95.6 secs Computing kpt #: 166 total cpu time spent up to now is 96.2 secs Computing kpt #: 167 total cpu time spent up to now is 96.8 secs Computing kpt #: 168 total cpu time spent up to now is 97.4 secs Computing kpt #: 169 total cpu time spent up to now is 97.9 secs Computing kpt #: 170 total cpu time spent up to now is 98.4 secs Computing kpt #: 171 total cpu time spent up to now is 98.9 secs Computing kpt #: 172 total cpu time spent up to now is 99.3 secs Computing kpt #: 173 total cpu time spent up to now is 99.8 secs Computing kpt #: 174 total cpu time spent up to now is 100.3 secs Computing kpt #: 175 total cpu time spent up to now is 100.7 secs Computing kpt #: 176 total cpu time spent up to now is 101.1 secs Computing kpt #: 177 total cpu time spent up to now is 101.6 secs Computing kpt #: 178 total cpu time spent up to now is 102.1 secs Computing kpt #: 179 total cpu time spent up to now is 102.5 secs Computing kpt #: 180 total cpu time spent up to now is 102.9 secs Computing kpt #: 181 total cpu time spent up to now is 103.4 secs Computing kpt #: 182 total cpu time spent up to now is 103.9 secs Computing kpt #: 183 total cpu time spent up to now is 104.3 secs Computing kpt #: 184 total cpu time spent up to now is 104.8 secs Computing kpt #: 185 total cpu time spent up to now is 105.2 secs Computing kpt #: 186 total cpu time spent up to now is 105.7 secs Computing kpt #: 187 total cpu time spent up to now is 106.1 secs Computing kpt #: 188 total cpu time spent up to now is 106.5 secs Computing kpt #: 189 total cpu time spent up to now is 107.0 secs Computing kpt #: 190 total cpu time spent up to now is 107.5 secs Computing kpt #: 191 total cpu time spent up to now is 107.9 secs Computing kpt #: 192 total cpu time spent up to now is 109.9 secs Computing kpt #: 193 total cpu time spent up to now is 110.3 secs Computing kpt #: 194 total cpu time spent up to now is 110.9 secs Computing kpt #: 195 total cpu time spent up to now is 111.3 secs Computing kpt #: 196 total cpu time spent up to now is 111.8 secs Computing kpt #: 197 total cpu time spent up to now is 112.2 secs Computing kpt #: 198 total cpu time spent up to now is 112.7 secs Computing kpt #: 199 total cpu time spent up to now is 113.2 secs Computing kpt #: 200 total cpu time spent up to now is 113.8 secs Computing kpt #: 201 total cpu time spent up to now is 114.4 secs Computing kpt #: 202 total cpu time spent up to now is 115.0 secs Computing kpt #: 203 total cpu time spent up to now is 115.6 secs Computing kpt #: 204 total cpu time spent up to now is 116.2 secs Computing kpt #: 205 total cpu time spent up to now is 116.8 secs Computing kpt #: 206 total cpu time spent up to now is 117.4 secs Computing kpt #: 207 total cpu time spent up to now is 118.0 secs Computing kpt #: 208 total cpu time spent up to now is 118.6 secs Computing kpt #: 209 total cpu time spent up to now is 119.3 secs Computing kpt #: 210 total cpu time spent up to now is 119.9 secs Computing kpt #: 211 total cpu time spent up to now is 120.7 secs Computing kpt #: 212 total cpu time spent up to now is 121.5 secs Computing kpt #: 213 total cpu time spent up to now is 122.8 secs Computing kpt #: 214 total cpu time spent up to now is 124.0 secs Computing kpt #: 215 total cpu time spent up to now is 124.8 secs Computing kpt #: 216 total cpu time spent up to now is 125.6 secs Computing kpt #: 217 total cpu time spent up to now is 126.4 secs Computing kpt #: 218 total cpu time spent up to now is 127.1 secs Computing kpt #: 219 total cpu time spent up to now is 127.8 secs Computing kpt #: 220 total cpu time spent up to now is 128.4 secs Computing kpt #: 221 total cpu time spent up to now is 129.1 secs Computing kpt #: 222 total cpu time spent up to now is 129.7 secs Computing kpt #: 223 total cpu time spent up to now is 130.5 secs Computing kpt #: 224 total cpu time spent up to now is 131.2 secs Computing kpt #: 225 total cpu time spent up to now is 131.9 secs Computing kpt #: 226 total cpu time spent up to now is 132.4 secs Computing kpt #: 227 total cpu time spent up to now is 133.0 secs Computing kpt #: 228 total cpu time spent up to now is 133.5 secs Computing kpt #: 229 total cpu time spent up to now is 134.0 secs Computing kpt #: 230 total cpu time spent up to now is 134.6 secs Computing kpt #: 231 total cpu time spent up to now is 135.2 secs Computing kpt #: 232 total cpu time spent up to now is 135.8 secs Computing kpt #: 233 total cpu time spent up to now is 136.2 secs Computing kpt #: 234 total cpu time spent up to now is 136.8 secs Computing kpt #: 235 total cpu time spent up to now is 137.3 secs Computing kpt #: 236 total cpu time spent up to now is 137.8 secs Computing kpt #: 237 total cpu time spent up to now is 138.4 secs Computing kpt #: 238 total cpu time spent up to now is 139.0 secs Computing kpt #: 239 total cpu time spent up to now is 139.5 secs Computing kpt #: 240 total cpu time spent up to now is 140.1 secs Computing kpt #: 241 total cpu time spent up to now is 140.6 secs Computing kpt #: 242 total cpu time spent up to now is 141.2 secs Computing kpt #: 243 total cpu time spent up to now is 141.8 secs Computing kpt #: 244 total cpu time spent up to now is 142.5 secs Computing kpt #: 245 total cpu time spent up to now is 143.1 secs Computing kpt #: 246 total cpu time spent up to now is 143.7 secs Computing kpt #: 247 total cpu time spent up to now is 144.4 secs Computing kpt #: 248 total cpu time spent up to now is 145.0 secs Computing kpt #: 249 total cpu time spent up to now is 145.6 secs Computing kpt #: 250 total cpu time spent up to now is 146.2 secs Computing kpt #: 251 total cpu time spent up to now is 146.8 secs Computing kpt #: 252 total cpu time spent up to now is 147.3 secs Computing kpt #: 253 total cpu time spent up to now is 147.8 secs Computing kpt #: 254 total cpu time spent up to now is 148.3 secs Computing kpt #: 255 total cpu time spent up to now is 148.8 secs Computing kpt #: 256 total cpu time spent up to now is 149.3 secs Computing kpt #: 257 total cpu time spent up to now is 149.8 secs Computing kpt #: 258 total cpu time spent up to now is 150.3 secs Computing kpt #: 259 total cpu time spent up to now is 150.7 secs Computing kpt #: 260 total cpu time spent up to now is 151.1 secs Computing kpt #: 261 total cpu time spent up to now is 151.7 secs Computing kpt #: 262 total cpu time spent up to now is 152.1 secs Computing kpt #: 263 total cpu time spent up to now is 152.5 secs Computing kpt #: 264 total cpu time spent up to now is 153.0 secs Computing kpt #: 265 total cpu time spent up to now is 153.5 secs Computing kpt #: 266 total cpu time spent up to now is 153.9 secs Computing kpt #: 267 total cpu time spent up to now is 154.4 secs Computing kpt #: 268 total cpu time spent up to now is 154.9 secs Computing kpt #: 269 total cpu time spent up to now is 155.3 secs Computing kpt #: 270 total cpu time spent up to now is 155.8 secs Computing kpt #: 271 total cpu time spent up to now is 156.3 secs Computing kpt #: 272 total cpu time spent up to now is 156.7 secs Computing kpt #: 273 total cpu time spent up to now is 157.2 secs Computing kpt #: 274 total cpu time spent up to now is 157.7 secs Computing kpt #: 275 total cpu time spent up to now is 158.1 secs Computing kpt #: 276 total cpu time spent up to now is 158.6 secs Computing kpt #: 277 total cpu time spent up to now is 159.1 secs Computing kpt #: 278 total cpu time spent up to now is 159.5 secs Computing kpt #: 279 total cpu time spent up to now is 160.0 secs Computing kpt #: 280 total cpu time spent up to now is 160.5 secs Computing kpt #: 281 total cpu time spent up to now is 161.0 secs Computing kpt #: 282 total cpu time spent up to now is 161.6 secs Computing kpt #: 283 total cpu time spent up to now is 162.2 secs Computing kpt #: 284 total cpu time spent up to now is 162.8 secs Computing kpt #: 285 total cpu time spent up to now is 163.4 secs Computing kpt #: 286 total cpu time spent up to now is 164.0 secs Computing kpt #: 287 total cpu time spent up to now is 164.6 secs Computing kpt #: 288 total cpu time spent up to now is 165.3 secs Computing kpt #: 289 total cpu time spent up to now is 165.9 secs Computing kpt #: 290 total cpu time spent up to now is 166.5 secs Computing kpt #: 291 total cpu time spent up to now is 167.1 secs Computing kpt #: 292 total cpu time spent up to now is 167.7 secs Computing kpt #: 293 total cpu time spent up to now is 168.3 secs Computing kpt #: 294 total cpu time spent up to now is 169.0 secs Computing kpt #: 295 total cpu time spent up to now is 169.8 secs Computing kpt #: 296 total cpu time spent up to now is 170.7 secs Computing kpt #: 297 total cpu time spent up to now is 171.5 secs Computing kpt #: 298 total cpu time spent up to now is 172.3 secs Computing kpt #: 299 total cpu time spent up to now is 173.1 secs Computing kpt #: 300 total cpu time spent up to now is 174.3 secs Computing kpt #: 301 total cpu time spent up to now is 175.1 secs Computing kpt #: 302 total cpu time spent up to now is 175.6 secs Computing kpt #: 303 total cpu time spent up to now is 176.3 secs Computing kpt #: 304 total cpu time spent up to now is 176.8 secs Computing kpt #: 305 total cpu time spent up to now is 177.5 secs Computing kpt #: 306 total cpu time spent up to now is 178.2 secs Computing kpt #: 307 total cpu time spent up to now is 178.9 secs Computing kpt #: 308 total cpu time spent up to now is 179.6 secs Computing kpt #: 309 total cpu time spent up to now is 180.3 secs Computing kpt #: 310 total cpu time spent up to now is 180.9 secs Computing kpt #: 311 total cpu time spent up to now is 181.7 secs Computing kpt #: 312 total cpu time spent up to now is 182.2 secs Computing kpt #: 313 total cpu time spent up to now is 182.9 secs Computing kpt #: 314 total cpu time spent up to now is 183.7 secs Computing kpt #: 315 total cpu time spent up to now is 184.1 secs ethr = 2.78E-08, avg # of iterations = 26.8 total cpu time spent up to now is 184.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2741 PWs) bands (ev): -30.6404 -30.6404 -11.6528 -11.6528 -10.2192 -10.2192 -10.2192 -10.2192 -5.6604 -5.6604 -5.6604 -5.6604 -3.1297 -3.1297 -3.1297 -3.1297 -3.1243 -3.1243 2.1237 2.1237 6.2690 6.2690 6.2690 6.2690 7.2978 7.2978 7.7305 7.7305 7.7305 7.7305 11.8871 11.8871 12.2714 12.2714 12.6726 12.6726 12.6726 12.6726 13.8158 13.8158 14.7539 14.7539 14.7539 14.7539 k = 0.0106-0.0061 0.0087 ( 2741 PWs) bands (ev): -30.6404 -30.6404 -11.6528 -11.6528 -10.2193 -10.2193 -10.2192 -10.2192 -5.6605 -5.6605 -5.6604 -5.6604 -3.1298 -3.1298 -3.1295 -3.1295 -3.1243 -3.1243 2.1251 2.1251 6.2640 6.2640 6.2739 6.2739 7.2974 7.2974 7.7232 7.7232 7.7380 7.7380 11.8721 11.8721 12.2621 12.2621 12.6668 12.6668 12.6887 12.6887 13.8200 13.8200 14.7148 14.7148 14.7803 14.7803 k = 0.0213-0.0123 0.0174 ( 2737 PWs) bands (ev): -30.6403 -30.6403 -11.6528 -11.6528 -10.2194 -10.2194 -10.2193 -10.2193 -5.6605 -5.6605 -5.6602 -5.6602 -3.1299 -3.1299 -3.1292 -3.1292 -3.1242 -3.1242 2.1294 2.1294 6.2587 6.2587 6.2786 6.2786 7.2962 7.2962 7.7162 7.7162 7.7455 7.7455 11.8288 11.8288 12.2385 12.2385 12.6499 12.6499 12.7307 12.7307 13.8318 13.8318 14.6679 14.6679 14.7954 14.7954 k = 0.0319-0.0184 0.0261 ( 2737 PWs) bands (ev): -30.6403 -30.6403 -11.6529 -11.6529 -10.2197 -10.2197 -10.2193 -10.2193 -5.6605 -5.6605 -5.6600 -5.6600 -3.1299 -3.1299 -3.1288 -3.1288 -3.1241 -3.1241 2.1366 2.1366 6.2532 6.2532 6.2832 6.2832 7.2942 7.2942 7.7095 7.7095 7.7530 7.7530 11.7616 11.7616 12.2079 12.2079 12.6229 12.6229 12.7875 12.7875 13.8488 13.8488 14.6212 14.6212 14.8030 14.8030 k = 0.0426-0.0246 0.0347 ( 2737 PWs) bands (ev): -30.6403 -30.6403 -11.6531 -11.6531 -10.2201 -10.2201 -10.2194 -10.2194 -5.6605 -5.6605 -5.6597 -5.6597 -3.1299 -3.1299 -3.1284 -3.1284 -3.1240 -3.1240 2.1466 2.1466 6.2474 6.2474 6.2877 6.2877 7.2915 7.2915 7.7033 7.7033 7.7605 7.7605 11.6764 11.6764 12.1738 12.1739 12.5874 12.5874 12.8497 12.8497 13.8675 13.8675 14.5821 14.5821 14.8064 14.8064 k = 0.0532-0.0307 0.0434 ( 2745 PWs) bands (ev): -30.6403 -30.6403 -11.6532 -11.6532 -10.2206 -10.2206 -10.2195 -10.2195 -5.6605 -5.6605 -5.6594 -5.6594 -3.1299 -3.1299 -3.1279 -3.1279 -3.1239 -3.1239 2.1594 2.1594 6.2414 6.2414 6.2921 6.2921 7.2879 7.2879 7.6976 7.6976 7.7677 7.7677 11.5784 11.5784 12.1372 12.1372 12.5453 12.5453 12.9116 12.9116 13.8838 13.8838 14.5569 14.5569 14.8076 14.8076 k = 0.0638-0.0369 0.0521 ( 2754 PWs) bands (ev): -30.6403 -30.6403 -11.6535 -11.6535 -10.2212 -10.2212 -10.2196 -10.2196 -5.6605 -5.6605 -5.6590 -5.6590 -3.1298 -3.1298 -3.1272 -3.1272 -3.1237 -3.1237 2.1749 2.1749 6.2350 6.2350 6.2964 6.2964 7.2835 7.2835 7.6926 7.6926 7.7748 7.7748 11.4720 11.4720 12.0980 12.0980 12.4979 12.4979 12.9693 12.9693 13.8944 13.8944 14.5499 14.5499 14.8076 14.8076 k = 0.0745-0.0430 0.0608 ( 2762 PWs) bands (ev): -30.6402 -30.6402 -11.6537 -11.6537 -10.2218 -10.2218 -10.2198 -10.2198 -5.6605 -5.6605 -5.6586 -5.6586 -3.1298 -3.1298 -3.1266 -3.1266 -3.1234 -3.1234 2.1931 2.1931 6.2283 6.2283 6.3007 6.3007 7.2784 7.2784 7.6883 7.6883 7.7815 7.7815 11.3600 11.3600 12.0562 12.0562 12.4469 12.4469 13.0202 13.0202 13.8979 13.8979 14.5627 14.5627 14.8073 14.8073 k = 0.0851-0.0491 0.0695 ( 2762 PWs) bands (ev): -30.6402 -30.6402 -11.6540 -11.6540 -10.2226 -10.2226 -10.2200 -10.2200 -5.6605 -5.6605 -5.6581 -5.6581 -3.1298 -3.1298 -3.1258 -3.1258 -3.1232 -3.1232 2.2140 2.2140 6.2213 6.2213 6.3048 6.3048 7.2726 7.2726 7.6848 7.6848 7.7880 7.7880 11.2446 11.2446 12.0120 12.0120 12.3934 12.3934 13.0621 13.0621 13.8960 13.8960 14.5934 14.5934 14.8077 14.8077 k = 0.0957-0.0553 0.0782 ( 2770 PWs) bands (ev): -30.6402 -30.6402 -11.6543 -11.6543 -10.2234 -10.2234 -10.2202 -10.2202 -5.6605 -5.6605 -5.6576 -5.6576 -3.1298 -3.1298 -3.1250 -3.1250 -3.1228 -3.1228 2.2374 2.2374 6.2139 6.2139 6.3089 6.3089 7.2661 7.2661 7.6821 7.6821 7.7941 7.7941 11.1273 11.1273 11.9657 11.9657 12.3383 12.3383 13.0936 13.0936 13.8920 13.8920 14.6370 14.6370 14.8107 14.8107 k = 0.1064-0.0614 0.0869 ( 2766 PWs) bands (ev): -30.6401 -30.6401 -11.6546 -11.6546 -10.2243 -10.2243 -10.2204 -10.2204 -5.6605 -5.6605 -5.6570 -5.6570 -3.1298 -3.1298 -3.1241 -3.1241 -3.1224 -3.1224 2.2632 2.2632 6.2062 6.2062 6.3130 6.3130 7.2590 7.2590 7.6802 7.6802 7.7997 7.7997 11.0092 11.0092 11.9178 11.9178 12.2825 12.2825 13.1137 13.1137 13.8901 13.8901 14.6845 14.6845 14.8214 14.8214 k = 0.1170-0.0676 0.0955 ( 2766 PWs) bands (ev): -30.6401 -30.6401 -11.6549 -11.6549 -10.2253 -10.2253 -10.2206 -10.2206 -5.6605 -5.6605 -5.6564 -5.6564 -3.1298 -3.1298 -3.1232 -3.1232 -3.1219 -3.1219 2.2914 2.2914 6.1982 6.1982 6.3170 6.3170 7.2515 7.2515 7.6793 7.6793 7.8050 7.8050 10.8911 10.8911 11.8687 11.8687 12.2264 12.2264 13.1219 13.1219 13.8931 13.8931 14.7213 14.7213 14.8511 14.8511 k = 0.1277-0.0737 0.1042 ( 2766 PWs) bands (ev): -30.6400 -30.6400 -11.6553 -11.6553 -10.2263 -10.2263 -10.2208 -10.2208 -5.6605 -5.6605 -5.6558 -5.6558 -3.1298 -3.1298 -3.1223 -3.1223 -3.1214 -3.1214 2.3218 2.3218 6.1898 6.1898 6.3210 6.3210 7.2435 7.2435 7.6792 7.6792 7.8098 7.8098 10.7737 10.7737 11.8188 11.8188 12.1707 12.1707 13.1190 13.1190 13.9028 13.9028 14.7381 14.7381 14.9061 14.9061 k = 0.1383-0.0798 0.1129 ( 2786 PWs) bands (ev): -30.6399 -30.6399 -11.6557 -11.6557 -10.2274 -10.2274 -10.2211 -10.2211 -5.6604 -5.6604 -5.6552 -5.6552 -3.1299 -3.1299 -3.1214 -3.1214 -3.1209 -3.1209 2.3543 2.3543 6.1811 6.1811 6.3249 6.3249 7.2352 7.2352 7.6800 7.6800 7.8141 7.8141 10.6575 10.6575 11.7686 11.7686 12.1158 12.1158 13.1064 13.1064 13.9192 13.9192 14.7420 14.7420 14.9770 14.9770 k = 0.1489-0.0860 0.1216 ( 2786 PWs) bands (ev): -30.6399 -30.6399 -11.6561 -11.6561 -10.2285 -10.2285 -10.2214 -10.2214 -5.6604 -5.6604 -5.6546 -5.6546 -3.1299 -3.1299 -3.1205 -3.1205 -3.1203 -3.1203 2.3888 2.3888 6.1722 6.1722 6.3287 6.3287 7.2267 7.2267 7.6817 7.6817 7.8180 7.8180 10.5428 10.5428 11.7186 11.7186 12.0618 12.0618 13.0860 13.0860 13.9420 13.9420 14.7403 14.7403 15.0546 15.0546 k = 0.1596-0.0921 0.1303 ( 2786 PWs) bands (ev): -30.6398 -30.6398 -11.6565 -11.6565 -10.2296 -10.2296 -10.2217 -10.2217 -5.6604 -5.6604 -5.6539 -5.6539 -3.1300 -3.1300 -3.1197 -3.1197 -3.1195 -3.1195 2.4251 2.4251 6.1632 6.1632 6.3325 6.3325 7.2180 7.2180 7.6841 7.6841 7.8214 7.8214 10.4300 10.4300 11.6689 11.6689 12.0093 12.0093 13.0598 13.0598 13.9700 13.9700 14.7359 14.7359 15.1342 15.1342 k = 0.1702-0.0983 0.1390 ( 2786 PWs) bands (ev): -30.6398 -30.6398 -11.6570 -11.6570 -10.2307 -10.2307 -10.2220 -10.2220 -5.6604 -5.6604 -5.6533 -5.6533 -3.1301 -3.1301 -3.1190 -3.1190 -3.1186 -3.1186 2.4630 2.4630 6.1542 6.1542 6.3362 6.3362 7.2094 7.2094 7.6872 7.6872 7.8244 7.8244 10.3192 10.3192 11.6200 11.6200 11.9583 11.9583 13.0295 13.0295 14.0021 14.0021 14.7300 14.7300 15.2132 15.2132 k = 0.1809-0.1044 0.1477 ( 2778 PWs) bands (ev): -30.6397 -30.6397 -11.6574 -11.6574 -10.2318 -10.2318 -10.2223 -10.2223 -5.6604 -5.6604 -5.6528 -5.6528 -3.1303 -3.1303 -3.1183 -3.1183 -3.1178 -3.1178 2.5024 2.5024 6.1452 6.1452 6.3398 6.3398 7.2009 7.2009 7.6909 7.6909 7.8269 7.8269 10.2107 10.2107 11.5720 11.5720 11.9091 11.9091 12.9968 12.9968 14.0376 14.0376 14.7232 14.7232 15.2897 15.2897 k = 0.1915-0.1106 0.1564 ( 2790 PWs) bands (ev): -30.6396 -30.6396 -11.6578 -11.6578 -10.2330 -10.2330 -10.2226 -10.2226 -5.6604 -5.6604 -5.6522 -5.6522 -3.1304 -3.1304 -3.1175 -3.1175 -3.1170 -3.1170 2.5430 2.5430 6.1365 6.1365 6.3434 6.3434 7.1926 7.1926 7.6953 7.6953 7.8289 7.8289 10.1045 10.1045 11.5253 11.5253 11.8617 11.8617 12.9627 12.9627 14.0755 14.0755 14.7157 14.7157 15.3620 15.3620 k = 0.2021-0.1167 0.1650 ( 2790 PWs) bands (ev): -30.6395 -30.6395 -11.6582 -11.6582 -10.2341 -10.2341 -10.2229 -10.2229 -5.6603 -5.6603 -5.6517 -5.6517 -3.1305 -3.1305 -3.1168 -3.1168 -3.1162 -3.1162 2.5847 2.5847 6.1282 6.1282 6.3469 6.3469 7.1846 7.1846 7.7001 7.7001 7.8306 7.8306 10.0007 10.0007 11.4799 11.4799 11.8165 11.8165 12.9283 12.9283 14.1153 14.1153 14.7076 14.7076 15.4289 15.4289 k = 0.2128-0.1228 0.1737 ( 2802 PWs) bands (ev): -30.6395 -30.6395 -11.6587 -11.6587 -10.2353 -10.2353 -10.2232 -10.2232 -5.6603 -5.6603 -5.6512 -5.6512 -3.1307 -3.1307 -3.1160 -3.1160 -3.1156 -3.1156 2.6272 2.6272 6.1204 6.1204 6.3503 6.3503 7.1769 7.1769 7.7054 7.7054 7.8319 7.8319 9.8994 9.8994 11.4362 11.4362 11.7735 11.7735 12.8940 12.8940 14.1565 14.1565 14.6992 14.6992 15.4891 15.4891 k = 0.2234-0.1290 0.1824 ( 2802 PWs) bands (ev): -30.6394 -30.6394 -11.6591 -11.6591 -10.2363 -10.2363 -10.2236 -10.2236 -5.6603 -5.6603 -5.6508 -5.6508 -3.1308 -3.1308 -3.1154 -3.1154 -3.1149 -3.1149 2.6703 2.6703 6.1134 6.1134 6.3537 6.3537 7.1696 7.1696 7.7109 7.7109 7.8328 7.8328 9.8005 9.8005 11.3941 11.3941 11.7327 11.7327 12.8606 12.8606 14.1987 14.1987 14.6905 14.6905 15.5416 15.5416 k = 0.2340-0.1351 0.1911 ( 2810 PWs) bands (ev): -30.6393 -30.6393 -11.6595 -11.6595 -10.2374 -10.2374 -10.2239 -10.2239 -5.6603 -5.6603 -5.6504 -5.6504 -3.1310 -3.1310 -3.1148 -3.1148 -3.1142 -3.1142 2.7137 2.7137 6.1073 6.1073 6.3571 6.3571 7.1628 7.1628 7.7167 7.7167 7.8335 7.8335 9.7040 9.7040 11.3537 11.3537 11.6943 11.6943 12.8282 12.8282 14.2416 14.2416 14.6817 14.6817 15.5854 15.5854 k = 0.2447-0.1413 0.1998 ( 2826 PWs) bands (ev): -30.6393 -30.6393 -11.6600 -11.6600 -10.2385 -10.2385 -10.2243 -10.2243 -5.6603 -5.6603 -5.6501 -5.6501 -3.1312 -3.1312 -3.1144 -3.1144 -3.1134 -3.1134 2.7573 2.7573 6.1025 6.1025 6.3604 6.3604 7.1564 7.1564 7.7225 7.7225 7.8340 7.8340 9.6098 9.6098 11.3153 11.3153 11.6582 11.6582 12.7973 12.7973 14.2849 14.2849 14.6726 14.6726 15.6201 15.6201 k = 0.2553-0.1474 0.2085 ( 2814 PWs) bands (ev): -30.6392 -30.6392 -11.6603 -11.6603 -10.2394 -10.2394 -10.2246 -10.2246 -5.6603 -5.6603 -5.6498 -5.6498 -3.1313 -3.1313 -3.1141 -3.1141 -3.1126 -3.1126 2.8007 2.8007 6.0990 6.0990 6.3638 6.3638 7.1505 7.1505 7.7284 7.7284 7.8344 7.8344 9.5180 9.5180 11.2788 11.2788 11.6246 11.6246 12.7679 12.7679 14.3283 14.3283 14.6635 14.6635 15.6454 15.6454 k = 0.2660-0.1536 0.2172 ( 2810 PWs) bands (ev): -30.6391 -30.6391 -11.6607 -11.6607 -10.2403 -10.2403 -10.2249 -10.2249 -5.6602 -5.6602 -5.6496 -5.6496 -3.1315 -3.1315 -3.1139 -3.1139 -3.1118 -3.1118 2.8436 2.8436 6.0971 6.0971 6.3671 6.3671 7.1451 7.1451 7.7341 7.7341 7.8348 7.8348 9.4284 9.4284 11.2442 11.2442 11.5934 11.5934 12.7403 12.7403 14.3713 14.3713 14.6545 14.6545 15.6613 15.6613 k = 0.2766-0.1597 0.2258 ( 2810 PWs) bands (ev): -30.6390 -30.6390 -11.6611 -11.6611 -10.2412 -10.2412 -10.2253 -10.2253 -5.6602 -5.6602 -5.6495 -5.6495 -3.1317 -3.1317 -3.1138 -3.1138 -3.1110 -3.1110 2.8859 2.8859 6.0970 6.0970 6.3706 6.3706 7.1402 7.1402 7.7395 7.7395 7.8353 7.8353 9.3409 9.3409 11.2116 11.2116 11.5646 11.5646 12.7144 12.7144 14.4135 14.4135 14.6456 14.6456 15.6683 15.6683 k = 0.2872-0.1658 0.2345 ( 2810 PWs) bands (ev): -30.6390 -30.6390 -11.6614 -11.6614 -10.2421 -10.2421 -10.2256 -10.2256 -5.6602 -5.6602 -5.6494 -5.6494 -3.1318 -3.1318 -3.1138 -3.1138 -3.1102 -3.1102 2.9272 2.9272 6.0988 6.0988 6.3743 6.3743 7.1357 7.1357 7.7445 7.7446 7.8361 7.8361 9.2555 9.2555 11.1811 11.1811 11.5383 11.5383 12.6905 12.6905 14.4544 14.4544 14.6370 14.6370 15.6670 15.6670 k = 0.2979-0.1720 0.2432 ( 2818 PWs) bands (ev): -30.6389 -30.6389 -11.6618 -11.6618 -10.2429 -10.2429 -10.2259 -10.2259 -5.6602 -5.6602 -5.6493 -5.6493 -3.1320 -3.1320 -3.1139 -3.1139 -3.1094 -3.1094 2.9674 2.9674 6.1026 6.1026 6.3782 6.3782 7.1316 7.1316 7.7491 7.7491 7.8371 7.8371 9.1720 9.1720 11.1525 11.1525 11.5143 11.5143 12.6684 12.6684 14.4931 14.4931 14.6289 14.6289 15.6581 15.6581 k = 0.3085-0.1781 0.2519 ( 2810 PWs) bands (ev): -30.6388 -30.6388 -11.6621 -11.6621 -10.2436 -10.2436 -10.2262 -10.2262 -5.6602 -5.6602 -5.6494 -5.6494 -3.1321 -3.1321 -3.1141 -3.1141 -3.1087 -3.1087 3.0061 3.0061 6.1085 6.1085 6.3825 6.3825 7.1279 7.1279 7.7530 7.7530 7.8387 7.8387 9.0905 9.0905 11.1259 11.1259 11.4926 11.4926 12.6481 12.6481 14.5285 14.5285 14.6222 14.6222 15.6429 15.6429 k = 0.3191-0.1843 0.2606 ( 2810 PWs) bands (ev): -30.6388 -30.6388 -11.6624 -11.6624 -10.2443 -10.2443 -10.2265 -10.2265 -5.6602 -5.6601 -5.6494 -5.6494 -3.1323 -3.1323 -3.1144 -3.1144 -3.1080 -3.1080 3.0432 3.0432 6.1164 6.1164 6.3872 6.3872 7.1246 7.1246 7.7563 7.7563 7.8407 7.8407 9.0107 9.0107 11.1013 11.1013 11.4731 11.4731 12.6298 12.6298 14.5579 14.5579 14.6187 14.6187 15.6224 15.6224 k = 0.3298-0.1904 0.2693 ( 2810 PWs) bands (ev): -30.6387 -30.6387 -11.6626 -11.6626 -10.2449 -10.2449 -10.2268 -10.2268 -5.6601 -5.6601 -5.6495 -5.6495 -3.1324 -3.1324 -3.1147 -3.1147 -3.1072 -3.1072 3.0785 3.0785 6.1262 6.1262 6.3927 6.3927 7.1215 7.1215 7.7590 7.7590 7.8433 7.8433 8.9328 8.9328 11.0786 11.0786 11.4557 11.4557 12.6132 12.6132 14.5750 14.5750 14.6239 14.6239 15.5977 15.5977 k = 0.3404-0.1965 0.2780 ( 2810 PWs) bands (ev): -30.6386 -30.6386 -11.6629 -11.6629 -10.2454 -10.2454 -10.2271 -10.2271 -5.6601 -5.6601 -5.6497 -5.6497 -3.1325 -3.1325 -3.1151 -3.1151 -3.1066 -3.1066 3.1119 3.1119 6.1378 6.1378 6.3990 6.3990 7.1187 7.1187 7.7611 7.7611 7.8464 7.8464 8.8566 8.8566 11.0578 11.0578 11.4404 11.4404 12.5984 12.5984 14.5775 14.5775 14.6394 14.6394 15.5700 15.5700 k = 0.3511-0.2027 0.2866 ( 2810 PWs) bands (ev): -30.6386 -30.6386 -11.6631 -11.6631 -10.2460 -10.2460 -10.2274 -10.2274 -5.6601 -5.6601 -5.6499 -5.6499 -3.1326 -3.1326 -3.1156 -3.1156 -3.1059 -3.1059 3.1431 3.1431 6.1508 6.1508 6.4065 6.4065 7.1161 7.1161 7.7629 7.7629 7.8498 7.8498 8.7823 8.7823 11.0388 11.0388 11.4270 11.4270 12.5853 12.5853 14.5734 14.5734 14.6563 14.6563 15.5404 15.5404 k = 0.3617-0.2088 0.2953 ( 2810 PWs) bands (ev): -30.6385 -30.6385 -11.6633 -11.6633 -10.2464 -10.2464 -10.2276 -10.2276 -5.6601 -5.6601 -5.6501 -5.6501 -3.1327 -3.1327 -3.1161 -3.1161 -3.1053 -3.1053 3.1721 3.1721 6.1648 6.1648 6.4154 6.4154 7.1137 7.1137 7.7644 7.7644 7.8536 7.8536 8.7098 8.7098 11.0216 11.0216 11.4154 11.4154 12.5738 12.5738 14.5676 14.5676 14.6691 14.6691 15.5098 15.5098 k = 0.3723-0.2150 0.3040 ( 2810 PWs) bands (ev): -30.6385 -30.6385 -11.6635 -11.6635 -10.2468 -10.2468 -10.2279 -10.2279 -5.6601 -5.6601 -5.6503 -5.6503 -3.1328 -3.1328 -3.1166 -3.1166 -3.1047 -3.1047 3.1988 3.1988 6.1793 6.1793 6.4261 6.4261 7.1113 7.1113 7.7659 7.7659 7.8574 7.8574 8.6392 8.6392 11.0061 11.0061 11.4054 11.4054 12.5639 12.5639 14.5612 14.5612 14.6760 14.6760 15.4793 15.4793 k = 0.3830-0.2211 0.3127 ( 2802 PWs) bands (ev): -30.6384 -30.6384 -11.6637 -11.6637 -10.2472 -10.2472 -10.2281 -10.2281 -5.6600 -5.6600 -5.6505 -5.6505 -3.1329 -3.1329 -3.1172 -3.1172 -3.1042 -3.1042 3.2231 3.2231 6.1936 6.1936 6.4387 6.4387 7.1090 7.1090 7.7677 7.7677 7.8613 7.8613 8.5707 8.5707 10.9923 10.9923 11.3970 11.3970 12.5554 12.5554 14.5549 14.5549 14.6765 14.6765 15.4496 15.4496 k = 0.3936-0.2273 0.3214 ( 2802 PWs) bands (ev): -30.6384 -30.6384 -11.6639 -11.6639 -10.2475 -10.2475 -10.2283 -10.2283 -5.6600 -5.6600 -5.6508 -5.6508 -3.1330 -3.1330 -3.1177 -3.1177 -3.1037 -3.1037 3.2452 3.2452 6.2072 6.2072 6.4535 6.4535 7.1067 7.1067 7.7699 7.7699 7.8651 7.8651 8.5045 8.5045 10.9799 10.9799 11.3899 11.3899 12.5482 12.5482 14.5489 14.5489 14.6706 14.6706 15.4213 15.4213 k = 0.4043-0.2334 0.3301 ( 2790 PWs) bands (ev): -30.6383 -30.6383 -11.6640 -11.6640 -10.2478 -10.2478 -10.2285 -10.2285 -5.6600 -5.6600 -5.6511 -5.6511 -3.1330 -3.1330 -3.1183 -3.1183 -3.1032 -3.1032 3.2649 3.2649 6.2196 6.2196 6.4705 6.4705 7.1043 7.1043 7.7727 7.7727 7.8686 7.8686 8.4410 8.4410 10.9691 10.9691 11.3840 11.3840 12.5422 12.5422 14.5434 14.5434 14.6593 14.6593 15.3948 15.3948 k = 0.4149-0.2395 0.3388 ( 2790 PWs) bands (ev): -30.6383 -30.6383 -11.6641 -11.6641 -10.2480 -10.2480 -10.2286 -10.2286 -5.6600 -5.6600 -5.6513 -5.6513 -3.1330 -3.1330 -3.1188 -3.1188 -3.1028 -3.1028 3.2822 3.2822 6.2306 6.2306 6.4893 6.4893 7.1019 7.1019 7.7764 7.7764 7.8718 7.8718 8.3804 8.3804 10.9597 10.9597 11.3793 11.3793 12.5373 12.5373 14.5382 14.5382 14.6437 14.6437 15.3706 15.3706 k = 0.4255-0.2457 0.3474 ( 2798 PWs) bands (ev): -30.6382 -30.6382 -11.6642 -11.6642 -10.2482 -10.2482 -10.2288 -10.2288 -5.6599 -5.6599 -5.6516 -5.6516 -3.1331 -3.1331 -3.1193 -3.1193 -3.1024 -3.1024 3.2974 3.2974 6.2399 6.2399 6.5095 6.5095 7.0993 7.0993 7.7811 7.7811 7.8745 7.8745 8.3233 8.3233 10.9516 10.9516 11.3754 11.3754 12.5333 12.5333 14.5337 14.5337 14.6255 14.6255 15.3489 15.3489 k = 0.4362-0.2518 0.3561 ( 2806 PWs) bands (ev): -30.6382 -30.6382 -11.6643 -11.6643 -10.2484 -10.2484 -10.2289 -10.2289 -5.6599 -5.6599 -5.6518 -5.6518 -3.1331 -3.1331 -3.1198 -3.1198 -3.1021 -3.1021 3.3103 3.3103 6.2475 6.2475 6.5301 6.5301 7.0968 7.0968 7.7869 7.7869 7.8766 7.8766 8.2703 8.2703 10.9447 10.9447 11.3724 11.3724 12.5302 12.5302 14.5297 14.5297 14.6061 14.6061 15.3302 15.3302 k = 0.4468-0.2580 0.3648 ( 2814 PWs) bands (ev): -30.6382 -30.6382 -11.6644 -11.6644 -10.2486 -10.2486 -10.2290 -10.2290 -5.6599 -5.6599 -5.6520 -5.6520 -3.1331 -3.1331 -3.1202 -3.1202 -3.1018 -3.1018 3.3211 3.3211 6.2536 6.2536 6.5502 6.5502 7.0943 7.0943 7.7940 7.7940 7.8780 7.8780 8.2221 8.2221 10.9390 10.9390 11.3701 11.3701 12.5278 12.5278 14.5264 14.5264 14.5870 14.5870 15.3145 15.3146 k = 0.4574-0.2641 0.3735 ( 2798 PWs) bands (ev): -30.6382 -30.6382 -11.6645 -11.6645 -10.2487 -10.2487 -10.2291 -10.2291 -5.6599 -5.6599 -5.6522 -5.6522 -3.1331 -3.1331 -3.1206 -3.1206 -3.1016 -3.1016 3.3299 3.3299 6.2583 6.2583 6.5688 6.5688 7.0919 7.0919 7.8022 7.8022 7.8785 7.8785 8.1796 8.1796 10.9345 10.9345 11.3683 11.3683 12.5260 12.5260 14.5240 14.5240 14.5694 14.5694 15.3024 15.3024 k = 0.4681-0.2702 0.3822 ( 2798 PWs) bands (ev): -30.6382 -30.6382 -11.6645 -11.6645 -10.2488 -10.2488 -10.2292 -10.2292 -5.6599 -5.6599 -5.6523 -5.6523 -3.1331 -3.1331 -3.1209 -3.1209 -3.1014 -3.1014 3.3366 3.3366 6.2618 6.2618 6.5847 6.5847 7.0897 7.0897 7.8110 7.8110 7.8779 7.8779 8.1442 8.1442 10.9310 10.9310 11.3670 11.3670 12.5247 12.5247 14.5223 14.5223 14.5543 14.5543 15.2937 15.2937 k = 0.4787-0.2764 0.3909 ( 2786 PWs) bands (ev): -30.6381 -30.6381 -11.6645 -11.6645 -10.2488 -10.2488 -10.2292 -10.2292 -5.6598 -5.6598 -5.6524 -5.6524 -3.1331 -3.1331 -3.1211 -3.1211 -3.1013 -3.1013 3.3414 3.3414 6.2642 6.2642 6.5969 6.5969 7.0880 7.0880 7.8196 7.8197 7.8764 7.8764 8.1172 8.1172 10.9285 10.9285 11.3662 11.3662 12.5238 12.5238 14.5218 14.5218 14.5424 14.5424 15.2884 15.2884 k = 0.4894-0.2825 0.3996 ( 2778 PWs) bands (ev): -30.6381 -30.6381 -11.6646 -11.6646 -10.2488 -10.2488 -10.2293 -10.2293 -5.6598 -5.6598 -5.6525 -5.6525 -3.1331 -3.1331 -3.1212 -3.1212 -3.1012 -3.1012 3.3442 3.3442 6.2656 6.2656 6.6046 6.6046 7.0869 7.0869 7.8265 7.8265 7.8745 7.8745 8.1001 8.1001 10.9271 10.9271 11.3657 11.3657 12.5233 12.5233 14.5224 14.5224 14.5341 14.5341 15.2861 15.2861 k = 0.5000-0.2887 0.4082 ( 2778 PWs) bands (ev): -30.6381 -30.6381 -11.6646 -11.6646 -10.2488 -10.2488 -10.2293 -10.2293 -5.6598 -5.6598 -5.6525 -5.6525 -3.1331 -3.1331 -3.1213 -3.1213 -3.1012 -3.1012 3.3452 3.3452 6.2661 6.2661 6.6072 6.6072 7.0866 7.0866 7.8292 7.8292 7.8736 7.8736 8.0943 8.0943 10.9266 10.9266 11.3656 11.3656 12.5232 12.5232 14.5232 14.5232 14.5307 14.5307 15.2855 15.2855 k = 0.5000-0.2887 0.4082 ( 2778 PWs) bands (ev): -30.6381 -30.6381 -11.6646 -11.6646 -10.2488 -10.2488 -10.2293 -10.2293 -5.6598 -5.6598 -5.6525 -5.6525 -3.1331 -3.1331 -3.1213 -3.1213 -3.1012 -3.1012 3.3452 3.3452 6.2661 6.2661 6.6072 6.6072 7.0866 7.0866 7.8292 7.8292 7.8736 7.8736 8.0943 8.0943 10.9266 10.9266 11.3656 11.3656 12.5232 12.5232 14.5232 14.5232 14.5307 14.5307 15.2855 15.2855 k = 0.5000-0.2766 0.4168 ( 2780 PWs) bands (ev): -30.6381 -30.6381 -11.6648 -11.6644 -10.2491 -10.2486 -10.2294 -10.2292 -5.6599 -5.6597 -5.6527 -5.6523 -3.1331 -3.1330 -3.1215 -3.1210 -3.1014 -3.1010 3.3453 3.3456 6.2570 6.2757 6.5939 6.6203 7.0837 7.0901 7.8163 7.8407 7.8665 7.8812 8.0937 8.0955 10.9040 10.9410 11.3433 11.3764 12.5097 12.5467 14.5202 14.5242 14.5261 14.5600 15.2833 15.2859 k = 0.5000-0.2646 0.4253 ( 2784 PWs) bands (ev): -30.6381 -30.6381 -11.6650 -11.6642 -10.2493 -10.2483 -10.2296 -10.2292 -5.6599 -5.6595 -5.6528 -5.6521 -3.1329 -3.1328 -3.1217 -3.1207 -3.1016 -3.1009 3.3459 3.3466 6.2485 6.2858 6.5804 6.6331 7.0817 7.0943 7.8024 7.8506 7.8596 7.8897 8.0937 8.0973 10.8738 10.9466 11.3107 11.3757 12.5068 12.5796 14.5224 14.5265 14.5391 14.6098 15.2781 15.2850 k = 0.5000-0.2526 0.4338 ( 2790 PWs) bands (ev): -30.6382 -30.6381 -11.6652 -11.6641 -10.2495 -10.2481 -10.2299 -10.2292 -5.6599 -5.6593 -5.6530 -5.6519 -3.1328 -3.1325 -3.1219 -3.1205 -3.1018 -3.1007 3.3471 3.3481 6.2406 6.2964 6.5668 6.6455 7.0806 7.0990 7.7876 7.8527 7.8587 7.8992 8.0943 8.0996 10.8366 10.9427 11.2694 11.3646 12.5145 12.6210 14.5258 14.5302 14.5730 14.6784 15.2691 15.2829 k = 0.5000-0.2406 0.4423 ( 2794 PWs) bands (ev): -30.6382 -30.6381 -11.6654 -11.6639 -10.2496 -10.2478 -10.2302 -10.2293 -5.6598 -5.6590 -5.6531 -5.6518 -3.1325 -3.1322 -3.1221 -3.1201 -3.1020 -3.1006 3.3489 3.3502 6.2333 6.3074 6.5531 6.6576 7.0804 7.1041 7.7721 7.8458 7.8652 7.9096 8.0957 8.1024 10.7924 10.9287 11.2219 11.3449 12.5329 12.6699 14.5300 14.5351 14.6265 14.7638 15.2560 15.2790 k = 0.5000-0.2285 0.4508 ( 2798 PWs) bands (ev): -30.6382 -30.6381 -11.6656 -11.6638 -10.2498 -10.2475 -10.2306 -10.2295 -5.6596 -5.6587 -5.6533 -5.6516 -3.1321 -3.1318 -3.1222 -3.1198 -3.1022 -3.1005 3.3511 3.3527 6.2267 6.3188 6.5394 6.6692 7.0812 7.1097 7.7559 7.8389 7.8702 7.9207 8.0977 8.1058 10.7414 10.9043 11.1709 11.3190 12.5613 12.7255 14.5354 14.5414 14.6967 14.8632 15.2393 15.2725 k = 0.5000-0.2165 0.4593 ( 2806 PWs) bands (ev): -30.6382 -30.6381 -11.6658 -11.6637 -10.2499 -10.2471 -10.2310 -10.2297 -5.6595 -5.6583 -5.6534 -5.6514 -3.1317 -3.1313 -3.1223 -3.1195 -3.1025 -3.1004 3.3537 3.3557 6.2207 6.3304 6.5257 6.6803 7.0830 7.1155 7.7390 7.8320 7.8743 7.9320 8.1005 8.1098 10.6838 10.8696 11.1187 11.2892 12.5993 12.7867 14.5419 14.5488 14.7800 14.9727 15.2193 15.2624 k = 0.5000-0.2045 0.4678 ( 2798 PWs) bands (ev): -30.6382 -30.6381 -11.6661 -11.6636 -10.2500 -10.2468 -10.2314 -10.2300 -5.6593 -5.6579 -5.6535 -5.6512 -3.1311 -3.1307 -3.1224 -3.1191 -3.1027 -3.1004 3.3568 3.3591 6.2154 6.3422 6.5122 6.6909 7.0858 7.1215 7.7215 7.8252 7.8777 7.9432 8.1041 8.1145 10.6200 10.8251 11.0676 11.2575 12.6460 12.8530 14.5495 14.5574 14.8710 15.0848 15.1973 15.2489 k = 0.5000-0.1925 0.4763 ( 2806 PWs) bands (ev): -30.6382 -30.6381 -11.6663 -11.6635 -10.2501 -10.2464 -10.2319 -10.2303 -5.6591 -5.6575 -5.6536 -5.6510 -3.1306 -3.1302 -3.1224 -3.1187 -3.1030 -3.1003 3.3602 3.3629 6.2108 6.3541 6.4988 6.7011 7.0896 7.1277 7.7034 7.8185 7.8805 7.9539 8.1083 8.1200 10.5506 10.7720 11.0190 11.2257 12.7007 12.9235 14.5582 14.5671 14.9599 15.1757 15.1760 15.2352 k = 0.5000-0.1804 0.4848 ( 2802 PWs) bands (ev): -30.6382 -30.6380 -11.6665 -11.6634 -10.2501 -10.2461 -10.2324 -10.2306 -5.6588 -5.6570 -5.6536 -5.6509 -3.1300 -3.1296 -3.1223 -3.1183 -3.1032 -3.1003 3.3639 3.3669 6.2068 6.3661 6.4856 6.7107 7.0943 7.1338 7.6848 7.8120 7.8831 7.9638 8.1133 8.1264 10.4766 10.7120 10.9739 11.1945 12.7624 12.9976 14.5680 14.5778 15.0257 15.1637 15.1953 15.2395 k = 0.5000-0.1684 0.4933 ( 2806 PWs) bands (ev): -30.6382 -30.6380 -11.6667 -11.6634 -10.2502 -10.2457 -10.2330 -10.2310 -5.6586 -5.6565 -5.6536 -5.6507 -3.1293 -3.1291 -3.1221 -3.1178 -3.1035 -3.1003 3.3678 3.3712 6.2035 6.3779 6.4726 6.7199 7.1000 7.1400 7.6659 7.8058 7.8855 7.9728 8.1191 8.1339 10.3995 10.6468 10.9325 11.1645 12.8305 13.0749 14.5787 14.5895 15.0400 15.1741 15.1758 15.2463 k = 0.5000-0.1564 0.5018 ( 2806 PWs) bands (ev): -30.6382 -30.6380 -11.6670 -11.6633 -10.2502 -10.2453 -10.2336 -10.2315 -5.6583 -5.6560 -5.6536 -5.6506 -3.1287 -3.1287 -3.1218 -3.1174 -3.1038 -3.1004 3.3719 3.3756 6.2008 6.3896 6.4600 6.7286 7.1064 7.1460 7.6468 7.7998 7.8878 7.9806 8.1254 8.1425 10.3205 10.5782 10.8950 11.1361 12.9040 13.1546 14.5902 14.6020 15.0155 15.1455 15.1954 15.2461 k = 0.5000-0.1443 0.5103 ( 2802 PWs) bands (ev): -30.6382 -30.6380 -11.6672 -11.6632 -10.2501 -10.2449 -10.2342 -10.2319 -5.6581 -5.6555 -5.6536 -5.6505 -3.1283 -3.1281 -3.1213 -3.1169 -3.1041 -3.1004 3.3761 3.3801 6.1988 6.4010 6.4477 6.7369 7.1135 7.1518 7.6275 7.7942 7.8901 7.9872 8.1325 8.1523 10.2413 10.5081 10.8611 11.1093 12.9824 13.2364 14.6024 14.6152 14.9757 15.1127 15.2072 15.2425 k = 0.5000-0.1323 0.5188 ( 2810 PWs) bands (ev): -30.6382 -30.6380 -11.6674 -11.6632 -10.2501 -10.2445 -10.2348 -10.2325 -5.6579 -5.6550 -5.6535 -5.6503 -3.1280 -3.1274 -3.1207 -3.1163 -3.1045 -3.1006 3.3803 3.3846 6.1973 6.4119 6.4359 6.7448 7.1211 7.1573 7.6084 7.7890 7.8924 7.9923 8.1400 8.1632 10.1630 10.4380 10.8306 11.0843 13.0647 13.3197 14.6150 14.6289 14.9283 15.0762 15.2120 15.2368 k = 0.5000-0.1203 0.5273 ( 2806 PWs) bands (ev): -30.6382 -30.6380 -11.6676 -11.6632 -10.2500 -10.2441 -10.2354 -10.2330 -5.6578 -5.6544 -5.6534 -5.6502 -3.1278 -3.1268 -3.1201 -3.1158 -3.1048 -3.1007 3.3845 3.3891 6.1964 6.4223 6.4246 6.7524 7.1290 7.1626 7.5896 7.7841 7.8948 7.9962 8.1481 8.1750 10.0869 10.3692 10.8034 11.0611 13.1506 13.4039 14.6280 14.6429 14.8753 15.0363 15.2124 15.2298 k = 0.5000-0.1083 0.5358 ( 2802 PWs) bands (ev): -30.6382 -30.6380 -11.6677 -11.6631 -10.2499 -10.2436 -10.2360 -10.2335 -5.6576 -5.6539 -5.6533 -5.6501 -3.1276 -3.1263 -3.1193 -3.1152 -3.1052 -3.1009 3.3885 3.3934 6.1960 6.4139 6.4320 6.7596 7.1371 7.1674 7.5713 7.7797 7.8972 7.9989 8.1565 8.1874 10.0142 10.3031 10.7793 11.0398 13.2392 13.4885 14.6406 14.6569 14.8180 14.9934 15.2100 15.2218 k = 0.5000-0.0962 0.5443 ( 2802 PWs) bands (ev): -30.6382 -30.6380 -11.6679 -11.6631 -10.2498 -10.2431 -10.2365 -10.2341 -5.6575 -5.6535 -5.6531 -5.6501 -3.1275 -3.1258 -3.1185 -3.1146 -3.1056 -3.1011 3.3924 3.3975 6.1960 6.4039 6.4410 6.7664 7.1452 7.1719 7.5538 7.7757 7.8996 8.0006 8.1650 8.2001 9.9460 10.2407 10.7580 11.0206 13.3300 13.5729 14.6513 14.6705 14.7578 14.9479 15.2056 15.2129 k = 0.5000-0.0842 0.5528 ( 2802 PWs) bands (ev): -30.6382 -30.6380 -11.6681 -11.6631 -10.2497 -10.2427 -10.2371 -10.2346 -5.6574 -5.6530 -5.6529 -5.6500 -3.1275 -3.1253 -3.1176 -3.1140 -3.1061 -3.1013 3.3959 3.4013 6.1964 6.3946 6.4491 6.7727 7.1530 7.1759 7.5374 7.7722 7.9021 8.0015 8.1736 8.2128 9.8830 10.1830 10.7395 11.0034 13.4224 13.6562 14.6506 14.6830 14.7048 14.9005 15.1999 15.2035 k = 0.5000-0.0722 0.5613 ( 2794 PWs) bands (ev): -30.6382 -30.6380 -11.6682 -11.6630 -10.2495 -10.2422 -10.2376 -10.2352 -5.6573 -5.6528 -5.6526 -5.6500 -3.1275 -3.1249 -3.1167 -3.1134 -3.1066 -3.1015 3.3991 3.4047 6.1971 6.3862 6.4563 6.7786 7.1603 7.1795 7.5224 7.7691 7.9045 8.0017 8.1818 8.2249 9.8263 10.1309 10.7237 10.9884 13.5159 13.7377 14.6036 14.6931 14.6935 14.8531 15.1934 15.1939 k = 0.5000-0.0601 0.5698 ( 2790 PWs) bands (ev): -30.6382 -30.6380 -11.6683 -11.6630 -10.2494 -10.2417 -10.2381 -10.2358 -5.6573 -5.6526 -5.6521 -5.6500 -3.1274 -3.1246 -3.1159 -3.1128 -3.1070 -3.1018 3.4020 3.4077 6.1979 6.3788 6.4625 6.7838 7.1670 7.1825 7.5089 7.7664 7.9067 8.0014 8.1896 8.2362 9.7767 10.0852 10.7104 10.9755 13.6098 13.8160 14.5333 14.6975 14.7012 14.8092 15.1845 15.1867 k = 0.5000-0.0481 0.5784 ( 2786 PWs) bands (ev): -30.6382 -30.6380 -11.6684 -11.6630 -10.2492 -10.2412 -10.2385 -10.2364 -5.6573 -5.6525 -5.6518 -5.6501 -3.1274 -3.1243 -3.1151 -3.1123 -3.1076 -3.1020 3.4044 3.4103 6.1988 6.3725 6.4676 6.7884 7.1729 7.1850 7.4974 7.7643 7.9087 8.0009 8.1965 8.2461 9.7349 10.0467 10.6996 10.9650 13.7031 13.8893 14.4573 14.6886 14.7103 14.7779 15.1758 15.1801 k = 0.5000-0.0361 0.5869 ( 2790 PWs) bands (ev): -30.6382 -30.6380 -11.6685 -11.6630 -10.2491 -10.2407 -10.2388 -10.2369 -5.6572 -5.6524 -5.6515 -5.6501 -3.1274 -3.1241 -3.1143 -3.1118 -3.1080 -3.1022 3.4063 3.4123 6.1997 6.3675 6.4716 6.7921 7.1776 7.1870 7.4881 7.7626 7.9105 8.0003 8.2023 8.2543 9.7016 10.0161 10.6913 10.9567 13.7948 13.9550 14.3788 14.6611 14.7185 14.7663 15.1683 15.1743 k = 0.5000-0.0241 0.5954 ( 2788 PWs) bands (ev): -30.6382 -30.6380 -11.6685 -11.6630 -10.2490 -10.2402 -10.2390 -10.2374 -5.6572 -5.6523 -5.6512 -5.6502 -3.1275 -3.1240 -3.1137 -3.1115 -3.1085 -3.1024 3.4077 3.4138 6.2004 6.3637 6.4745 6.7948 7.1812 7.1884 7.4813 7.7614 7.9118 7.9997 8.2066 8.2604 9.6773 9.9938 10.6854 10.9508 13.8823 14.0091 14.3007 14.6275 14.7248 14.7654 15.1624 15.1698 k = 0.5000-0.0120 0.6039 ( 2780 PWs) bands (ev): -30.6382 -30.6380 -11.6686 -11.6630 -10.2490 -10.2398 -10.2392 -10.2379 -5.6572 -5.6522 -5.6510 -5.6503 -3.1275 -3.1239 -3.1132 -3.1113 -3.1088 -3.1025 3.4085 3.4147 6.2008 6.3615 6.4762 6.7965 7.1834 7.1892 7.4771 7.7606 7.9126 7.9993 8.2094 8.2642 9.6626 9.9802 10.6818 10.9472 13.9581 14.0458 14.2306 14.6013 14.7288 14.7668 15.1587 15.1668 k = 0.5000-0.0000 0.6124 ( 2780 PWs) bands (ev): -30.6382 -30.6380 -11.6686 -11.6630 -10.2489 -10.2396 -10.2392 -10.2381 -5.6572 -5.6522 -5.6509 -5.6503 -3.1275 -3.1238 -3.1130 -3.1112 -3.1090 -3.1026 3.4088 3.4150 6.2010 6.3607 6.4768 6.7971 7.1841 7.1895 7.4756 7.7604 7.9129 7.9992 8.2103 8.2655 9.6576 9.9757 10.6806 10.9460 13.9947 14.0590 14.1958 14.5915 14.7302 14.7675 15.1574 15.1658 k = 0.5000-0.0000 0.6124 ( 2780 PWs) bands (ev): -30.6382 -30.6380 -11.6686 -11.6630 -10.2489 -10.2396 -10.2392 -10.2381 -5.6572 -5.6522 -5.6509 -5.6503 -3.1275 -3.1238 -3.1130 -3.1112 -3.1090 -3.1026 3.4088 3.4150 6.2010 6.3607 6.4768 6.7971 7.1841 7.1895 7.4756 7.7604 7.9129 7.9992 8.2103 8.2655 9.6576 9.9757 10.6806 10.9460 13.9947 14.0590 14.1958 14.5915 14.7302 14.7675 15.1574 15.1658 k = 0.4926 0.0127 0.6124 ( 2780 PWs) bands (ev): -30.6382 -30.6380 -11.6686 -11.6630 -10.2490 -10.2398 -10.2391 -10.2379 -5.6572 -5.6522 -5.6509 -5.6503 -3.1274 -3.1238 -3.1131 -3.1112 -3.1089 -3.1026 3.4086 3.4148 6.2010 6.3609 6.4765 6.7962 7.1835 7.1895 7.4757 7.7606 7.9125 7.9990 8.2096 8.2655 9.6602 9.9781 10.6823 10.9478 13.9741 14.0529 14.2142 14.5927 14.7347 14.7695 15.1583 15.1672 k = 0.4853 0.0255 0.6124 ( 2786 PWs) bands (ev): -30.6382 -30.6380 -11.6685 -11.6630 -10.2490 -10.2402 -10.2390 -10.2376 -5.6572 -5.6522 -5.6510 -5.6503 -3.1274 -3.1238 -3.1134 -3.1113 -3.1087 -3.1025 3.4080 3.4141 6.2009 6.3613 6.4757 6.7939 7.1825 7.1888 7.4759 7.7610 7.9112 7.9984 8.2076 8.2651 9.6677 9.9849 10.6877 10.9530 13.9241 14.0348 14.2572 14.5970 14.7484 14.7762 15.1611 15.1704 k = 0.4779 0.0382 0.6124 ( 2785 PWs) bands (ev): -30.6382 -30.6380 -11.6685 -11.6630 -10.2491 -10.2405 -10.2389 -10.2372 -5.6571 -5.6523 -5.6511 -5.6502 -3.1273 -3.1238 -3.1137 -3.1115 -3.1084 -3.1024 3.4072 3.4131 6.2009 6.3619 6.4745 6.7904 7.1814 7.1871 7.4764 7.7614 7.9088 7.9976 8.2045 8.2641 9.6797 9.9950 10.6974 10.9618 13.8605 14.0049 14.3100 14.6052 14.7702 14.7885 15.1653 15.1747 k = 0.4706 0.0509 0.6124 ( 2793 PWs) bands (ev): -30.6382 -30.6380 -11.6685 -11.6630 -10.2492 -10.2409 -10.2387 -10.2367 -5.6571 -5.6524 -5.6512 -5.6502 -3.1271 -3.1238 -3.1142 -3.1118 -3.1081 -3.1023 3.4061 3.4119 6.2010 6.3627 6.4729 6.7862 7.1804 7.1846 7.4775 7.7614 7.9053 7.9966 8.2006 8.2621 9.6956 10.0072 10.7117 10.9739 13.7904 13.9647 14.3661 14.6182 14.7959 14.8091 15.1705 15.1797 k = 0.4632 0.0637 0.6124 ( 2793 PWs) bands (ev): -30.6383 -30.6380 -11.6685 -11.6630 -10.2494 -10.2413 -10.2386 -10.2363 -5.6570 -5.6525 -5.6512 -5.6501 -3.1270 -3.1237 -3.1147 -3.1121 -3.1078 -3.1021 3.4048 3.4104 6.2012 6.3637 6.4710 6.7815 7.1790 7.1816 7.4794 7.7606 7.9007 7.9956 8.1964 8.2591 9.7145 10.0202 10.7311 10.9892 13.7169 13.9162 14.4229 14.6364 14.8205 14.8412 15.1761 15.1852 k = 0.4559 0.0764 0.6124 ( 2799 PWs) bands (ev): -30.6383 -30.6380 -11.6684 -11.6631 -10.2495 -10.2416 -10.2384 -10.2358 -5.6569 -5.6526 -5.6513 -5.6501 -3.1268 -3.1237 -3.1153 -3.1124 -3.1075 -3.1019 3.4035 3.4088 6.2015 6.3647 6.4689 6.7765 7.1763 7.1792 7.4823 7.7586 7.8952 7.9948 8.1919 8.2553 9.7359 10.0331 10.7557 11.0074 13.6420 13.8618 14.4792 14.6593 14.8470 14.8799 15.1818 15.1914 k = 0.4485 0.0891 0.6124 ( 2796 PWs) bands (ev): -30.6383 -30.6380 -11.6684 -11.6631 -10.2497 -10.2419 -10.2382 -10.2354 -5.6567 -5.6527 -5.6513 -5.6501 -3.1265 -3.1236 -3.1159 -3.1128 -3.1072 -3.1017 3.4021 3.4071 6.2020 6.3657 6.4668 6.7715 7.1725 7.1776 7.4863 7.7550 7.8890 7.9942 8.1876 8.2509 9.7588 10.0447 10.7855 11.0280 13.5670 13.8039 14.5341 14.6867 14.8768 14.9218 15.1872 15.1985 k = 0.4412 0.1019 0.6124 ( 2796 PWs) bands (ev): -30.6383 -30.6380 -11.6683 -11.6631 -10.2499 -10.2422 -10.2380 -10.2350 -5.6566 -5.6529 -5.6513 -5.6501 -3.1262 -3.1235 -3.1164 -3.1132 -3.1070 -3.1015 3.4007 3.4054 6.2025 6.3666 6.4647 6.7666 7.1684 7.1758 7.4917 7.7492 7.8828 7.9939 8.1835 8.2459 9.7824 10.0545 10.8198 11.0504 13.4933 13.7442 14.5873 14.7177 14.9091 14.9651 15.1925 15.2072 k = 0.4338 0.1146 0.6124 ( 2800 PWs) bands (ev): -30.6383 -30.6380 -11.6683 -11.6631 -10.2500 -10.2425 -10.2378 -10.2346 -5.6564 -5.6531 -5.6514 -5.6501 -3.1259 -3.1234 -3.1170 -3.1136 -3.1067 -3.1012 3.3993 3.4038 6.2032 6.3673 6.4626 6.7620 7.1645 7.1738 7.4985 7.7410 7.8770 7.9938 8.1799 8.2408 9.8060 10.0621 10.8581 11.0737 13.4220 13.6846 14.6383 14.7516 14.9422 15.0083 15.1984 15.2187 k = 0.4265 0.1274 0.6124 ( 2808 PWs) bands (ev): -30.6383 -30.6380 -11.6682 -11.6631 -10.2502 -10.2427 -10.2376 -10.2343 -5.6562 -5.6533 -5.6514 -5.6501 -3.1255 -3.1232 -3.1177 -3.1141 -3.1065 -3.1010 3.3981 3.4022 6.2040 6.3679 6.4608 6.7577 7.1609 7.1715 7.5069 7.7302 7.8721 7.9939 8.1766 8.2358 9.8290 10.0674 10.8990 11.0970 13.3546 13.6267 14.6871 14.7872 14.9734 15.0488 15.2068 15.2352 k = 0.4191 0.1401 0.6124 ( 2811 PWs) bands (ev): -30.6383 -30.6380 -11.6682 -11.6631 -10.2503 -10.2429 -10.2374 -10.2340 -5.6561 -5.6534 -5.6514 -5.6501 -3.1252 -3.1230 -3.1182 -3.1145 -3.1063 -3.1008 3.3969 3.4007 6.2049 6.3682 6.4592 6.7539 7.1578 7.1689 7.5168 7.7169 7.8683 7.9942 8.1738 8.2310 9.8506 10.0705 10.9413 11.1192 13.2921 13.5722 14.7334 14.8235 14.9994 15.0827 15.2210 15.2591 k = 0.4118 0.1528 0.6124 ( 2811 PWs) bands (ev): -30.6383 -30.6380 -11.6681 -11.6632 -10.2505 -10.2431 -10.2373 -10.2337 -5.6559 -5.6536 -5.6514 -5.6502 -3.1248 -3.1229 -3.1188 -3.1149 -3.1062 -3.1007 3.3960 3.3994 6.2057 6.3684 6.4578 6.7507 7.1553 7.1661 7.5283 7.7016 7.8654 7.9945 8.1715 8.2266 9.8705 10.0718 10.9833 11.1388 13.2361 13.5226 14.7770 14.8591 15.0171 15.1054 15.2459 15.2920 k = 0.4044 0.1656 0.6124 ( 2814 PWs) bands (ev): -30.6383 -30.6380 -11.6681 -11.6632 -10.2506 -10.2432 -10.2371 -10.2335 -5.6556 -5.6538 -5.6514 -5.6502 -3.1244 -3.1227 -3.1194 -3.1153 -3.1060 -3.1005 3.3951 3.3983 6.2065 6.3685 6.4567 6.7479 7.1535 7.1633 7.5413 7.6847 7.8635 7.9948 8.1697 8.2229 9.8879 10.0716 11.0234 11.1547 13.1878 13.4794 14.8174 14.8928 15.0255 15.1156 15.2830 15.3327 k = 0.3971 0.1783 0.6124 ( 2812 PWs) bands (ev): -30.6383 -30.6380 -11.6681 -11.6632 -10.2506 -10.2434 -10.2370 -10.2334 -5.6554 -5.6541 -5.6515 -5.6502 -3.1240 -3.1224 -3.1200 -3.1156 -3.1059 -3.1004 3.3945 3.3974 6.2072 6.3684 6.4559 6.7458 7.1524 7.1606 7.5556 7.6669 7.8623 7.9951 8.1683 8.2199 9.9024 10.0705 11.0596 11.1658 13.1486 13.4440 14.8537 14.9231 15.0257 15.1168 15.3287 15.3778 k = 0.3897 0.1910 0.6124 ( 2810 PWs) bands (ev): -30.6383 -30.6380 -11.6680 -11.6632 -10.2507 -10.2434 -10.2369 -10.2332 -5.6552 -5.6543 -5.6515 -5.6502 -3.1237 -3.1222 -3.1205 -3.1159 -3.1059 -3.1003 3.3940 3.3967 6.2077 6.3684 6.4553 6.7442 7.1520 7.1582 7.5707 7.6489 7.8615 7.9953 8.1673 8.2177 9.9133 10.0690 11.0899 11.1715 13.1196 13.4177 14.8846 14.9480 15.0202 15.1132 15.3778 15.4219 k = 0.3824 0.2038 0.6124 ( 2804 PWs) bands (ev): -30.6383 -30.6380 -11.6680 -11.6632 -10.2507 -10.2435 -10.2369 -10.2332 -5.6550 -5.6545 -5.6515 -5.6502 -3.1235 -3.1219 -3.1209 -3.1160 -3.1058 -3.1003 3.3937 3.3963 6.2080 6.3683 6.4550 6.7433 7.1521 7.1563 7.5856 7.6322 7.8611 7.9955 8.1667 8.2163 9.9202 10.0678 11.1115 11.1726 13.1018 13.4015 14.9070 14.9649 15.0128 15.1087 15.4231 15.4579 k = 0.3750 0.2165 0.6124 ( 2810 PWs) bands (ev): -30.6383 -30.6380 -11.6680 -11.6632 -10.2508 -10.2435 -10.2369 -10.2331 -5.6548 -5.6547 -5.6515 -5.6502 -3.1234 -3.1217 -3.1212 -3.1161 -3.1058 -3.1003 3.3936 3.3961 6.2081 6.3683 6.4549 6.7430 7.1524 7.1555 7.5941 7.6231 7.8610 7.9955 8.1665 8.2159 9.9226 10.0674 11.1198 11.1720 13.0958 13.3960 14.9158 14.9709 15.0091 15.1067 15.4464 15.4736 k = 0.3750 0.2165 0.6124 ( 2810 PWs) bands (ev): -30.6383 -30.6380 -11.6680 -11.6632 -10.2508 -10.2435 -10.2369 -10.2331 -5.6548 -5.6547 -5.6515 -5.6502 -3.1234 -3.1217 -3.1212 -3.1161 -3.1058 -3.1003 3.3936 3.3961 6.2081 6.3683 6.4549 6.7430 7.1524 7.1555 7.5941 7.6231 7.8610 7.9955 8.1665 8.2159 9.9226 10.0674 11.1198 11.1720 13.0958 13.3960 14.9158 14.9709 15.0091 15.1067 15.4464 15.4736 k = 0.3675 0.2122 0.6001 ( 2810 PWs) bands (ev): -30.6383 -30.6380 -11.6681 -11.6632 -10.2508 -10.2434 -10.2372 -10.2334 -5.6547 -5.6541 -5.6509 -5.6502 -3.1229 -3.1208 -3.1205 -3.1158 -3.1062 -3.1003 3.3955 3.3977 6.2110 6.3570 6.4596 6.7394 7.1525 7.1648 7.5659 7.6098 7.8609 7.9976 8.1719 8.2319 9.8765 10.0245 11.1254 11.1702 13.1629 13.4675 14.8944 14.9542 14.9843 15.0881 15.4433 15.5535 k = 0.3600 0.2078 0.5879 ( 2794 PWs) bands (ev): -30.6383 -30.6380 -11.6682 -11.6632 -10.2508 -10.2434 -10.2373 -10.2336 -5.6547 -5.6536 -5.6503 -5.6503 -3.1226 -3.1199 -3.1198 -3.1155 -3.1066 -3.1004 3.3964 3.3983 6.2144 6.3455 6.4632 6.7332 7.1482 7.1782 7.5366 7.5965 7.8623 7.9991 8.1778 8.2488 9.8376 9.9895 11.1327 11.1706 13.2333 13.5419 14.8691 14.9322 14.9591 15.0679 15.4368 15.5499 k = 0.3525 0.2035 0.5756 ( 2794 PWs) bands (ev): -30.6383 -30.6381 -11.6683 -11.6632 -10.2508 -10.2435 -10.2373 -10.2338 -5.6546 -5.6531 -5.6503 -5.6497 -3.1223 -3.1190 -3.1189 -3.1153 -3.1069 -3.1005 3.3962 3.3977 6.2181 6.3339 6.4654 6.7242 7.1429 7.1926 7.5066 7.5835 7.8650 8.0002 8.1846 8.2666 9.8062 9.9622 11.1418 11.1733 13.3070 13.6191 14.8407 14.9075 14.9324 15.0464 15.4298 15.5433 k = 0.3450 0.1992 0.5634 ( 2790 PWs) bands (ev): -30.6383 -30.6381 -11.6684 -11.6632 -10.2509 -10.2438 -10.2371 -10.2339 -5.6546 -5.6525 -5.6504 -5.6491 -3.1221 -3.1183 -3.1181 -3.1150 -3.1073 -3.1006 3.3947 3.3958 6.2222 6.3223 6.4660 6.7121 7.1368 7.2081 7.4761 7.5713 7.8685 8.0009 8.1928 8.2854 9.7823 9.9426 11.1527 11.1783 13.3840 13.6993 14.8098 14.8817 14.9039 15.0240 15.4234 15.5367 k = 0.3375 0.1949 0.5511 ( 2774 PWs) bands (ev): -30.6383 -30.6381 -11.6684 -11.6631 -10.2509 -10.2440 -10.2368 -10.2339 -5.6546 -5.6520 -5.6505 -5.6486 -3.1218 -3.1176 -3.1173 -3.1147 -3.1076 -3.1007 3.3916 3.3923 6.2266 6.3108 6.4647 6.6971 7.1302 7.2245 7.4459 7.5602 7.8724 8.0013 8.2032 8.3053 9.7657 9.9304 11.1655 11.1856 13.4642 13.7822 14.7767 14.8556 14.8734 15.0009 15.4182 15.5307 k = 0.3300 0.1905 0.5389 ( 2774 PWs) bands (ev): -30.6384 -30.6381 -11.6684 -11.6631 -10.2509 -10.2444 -10.2365 -10.2339 -5.6545 -5.6515 -5.6506 -5.6481 -3.1216 -3.1171 -3.1165 -3.1145 -3.1079 -3.1008 3.3869 3.3870 6.2312 6.2995 6.4615 6.6791 7.1235 7.2418 7.4164 7.5505 7.8760 8.0013 8.2163 8.3266 9.7564 9.9251 11.1803 11.1953 13.5473 13.8677 14.7416 14.8294 14.8415 14.9774 15.4147 15.5254 k = 0.3225 0.1862 0.5266 ( 2782 PWs) bands (ev): -30.6384 -30.6381 -11.6683 -11.6631 -10.2508 -10.2447 -10.2361 -10.2339 -5.6545 -5.6511 -5.6507 -5.6476 -3.1215 -3.1167 -3.1159 -3.1142 -3.1082 -3.1009 3.3798 3.3802 6.2358 6.2883 6.4562 6.6584 7.1169 7.2599 7.3883 7.5426 7.8789 8.0010 8.2327 8.3492 9.7541 9.9266 11.1969 11.2073 13.6331 13.9555 14.7049 14.8011 14.8110 14.9539 15.4130 15.5211 k = 0.3150 0.1819 0.5144 ( 2794 PWs) bands (ev): -30.6384 -30.6382 -11.6683 -11.6631 -10.2508 -10.2450 -10.2356 -10.2338 -5.6545 -5.6510 -5.6506 -5.6472 -3.1213 -3.1165 -3.1153 -3.1140 -3.1083 -3.1010 3.3705 3.3715 6.2404 6.2772 6.4490 6.6354 7.1105 7.2785 7.3620 7.5364 7.8805 8.0005 8.2529 8.3736 9.7584 9.9342 11.2156 11.2216 13.7210 14.0452 14.6666 14.7672 14.7860 14.9308 15.4130 15.5177 k = 0.3075 0.1775 0.5021 ( 2798 PWs) bands (ev): -30.6384 -30.6382 -11.6682 -11.6631 -10.2507 -10.2453 -10.2351 -10.2336 -5.6545 -5.6511 -5.6503 -5.6468 -3.1211 -3.1163 -3.1147 -3.1140 -3.1084 -3.1012 3.3589 3.3606 6.2448 6.2664 6.4398 6.6108 7.1046 7.2967 7.3390 7.5322 7.8807 7.9997 8.2772 8.3999 9.7690 9.9478 11.2363 11.2384 13.8104 14.1358 14.6270 14.7304 14.7649 14.9089 15.4147 15.5152 k = 0.3000 0.1732 0.4899 ( 2792 PWs) bands (ev): -30.6385 -30.6382 -11.6681 -11.6630 -10.2506 -10.2456 -10.2346 -10.2334 -5.6545 -5.6513 -5.6499 -5.6464 -3.1210 -3.1163 -3.1143 -3.1140 -3.1084 -3.1013 3.3450 3.3472 6.2490 6.2557 6.4289 6.5851 7.0993 7.3051 7.3289 7.5298 7.8794 7.9986 8.3058 8.4284 9.7856 9.9667 11.2575 11.2589 13.9001 14.2262 14.5861 14.6921 14.7474 14.8892 15.4177 15.5134 k = 0.2925 0.1689 0.4777 ( 2796 PWs) bands (ev): -30.6385 -30.6383 -11.6679 -11.6630 -10.2504 -10.2457 -10.2341 -10.2332 -5.6545 -5.6515 -5.6496 -5.6461 -3.1209 -3.1163 -3.1142 -3.1140 -3.1083 -3.1014 3.3286 3.3314 6.2453 6.2527 6.4165 6.5590 7.0945 7.2909 7.3443 7.5292 7.8765 7.9972 8.3388 8.4592 9.8078 9.9908 11.2789 11.2836 13.9883 14.3141 14.5442 14.6532 14.7345 14.8733 15.4214 15.5118 k = 0.2850 0.1645 0.4654 ( 2802 PWs) bands (ev): -30.6385 -30.6383 -11.6677 -11.6629 -10.2502 -10.2459 -10.2335 -10.2329 -5.6545 -5.6518 -5.6494 -5.6459 -3.1208 -3.1164 -3.1144 -3.1137 -3.1082 -3.1015 3.3096 3.3129 6.2351 6.2560 6.4030 6.5333 7.0904 7.2747 7.3649 7.5302 7.8723 7.9956 8.3760 8.4926 9.8353 10.0197 11.3027 11.3103 14.0721 14.3958 14.5013 14.6141 14.7285 14.8637 15.4246 15.5098 k = 0.2775 0.1602 0.4532 ( 2788 PWs) bands (ev): -30.6386 -30.6383 -11.6675 -11.6628 -10.2500 -10.2459 -10.2330 -10.2326 -5.6545 -5.6520 -5.6492 -5.6457 -3.1207 -3.1165 -3.1147 -3.1136 -3.1081 -3.1016 3.2879 3.2918 6.2251 6.2586 6.3886 6.5086 7.0869 7.2604 7.3864 7.5326 7.8668 7.9937 8.4175 8.5288 9.8677 10.0530 11.3288 11.3389 14.1470 14.4569 14.4663 14.5755 14.7326 14.8645 15.4256 15.5057 k = 0.2700 0.1559 0.4409 ( 2788 PWs) bands (ev): -30.6386 -30.6384 -11.6672 -11.6627 -10.2496 -10.2459 -10.2324 -10.2322 -5.6545 -5.6523 -5.6490 -5.6456 -3.1206 -3.1167 -3.1151 -3.1135 -3.1080 -3.1018 3.2637 3.2680 6.2155 6.2604 6.3739 6.4855 7.0841 7.2483 7.4083 7.5362 7.8603 7.9916 8.4632 8.5680 9.9048 10.0905 11.3571 11.3694 14.2069 14.4131 14.5160 14.5386 14.7511 14.8791 15.4218 15.4944 k = 0.2625 0.1516 0.4287 ( 2790 PWs) bands (ev): -30.6387 -30.6384 -11.6669 -11.6625 -10.2492 -10.2458 -10.2318 -10.2318 -5.6546 -5.6526 -5.6489 -5.6455 -3.1206 -3.1170 -3.1155 -3.1136 -3.1080 -3.1020 3.2368 3.2415 6.2062 6.2612 6.3591 6.4645 7.0820 7.2385 7.4304 7.5408 7.8529 7.9893 8.5129 8.6105 9.9464 10.1320 11.3876 11.4018 14.2457 14.3682 14.5047 14.5425 14.7873 14.9053 15.4139 15.4623 k = 0.2550 0.1472 0.4164 ( 2790 PWs) bands (ev): -30.6387 -30.6385 -11.6666 -11.6624 -10.2488 -10.2456 -10.2314 -10.2312 -5.6546 -5.6529 -5.6489 -5.6455 -3.1206 -3.1173 -3.1159 -3.1137 -3.1080 -3.1022 3.2074 3.2123 6.1973 6.2610 6.3446 6.4460 7.0806 7.2307 7.4524 7.5462 7.8450 7.9867 8.5666 8.6564 9.9921 10.1773 11.4203 11.4361 14.2603 14.3229 14.4748 14.5477 14.8395 14.9294 15.4065 15.4133 k = 0.2475 0.1429 0.4042 ( 2798 PWs) bands (ev): -30.6387 -30.6385 -11.6663 -11.6622 -10.2483 -10.2453 -10.2309 -10.2307 -5.6547 -5.6532 -5.6489 -5.6455 -3.1206 -3.1177 -3.1163 -3.1139 -3.1081 -3.1025 3.1755 3.1806 6.1889 6.2598 6.3306 6.4303 7.0800 7.2246 7.4742 7.5521 7.8366 7.9838 8.6242 8.7059 10.0419 10.2261 11.4551 11.4721 14.2532 14.2775 14.4491 14.5374 14.8978 14.9341 15.3513 15.4362 k = 0.2400 0.1386 0.3919 ( 2798 PWs) bands (ev): -30.6388 -30.6386 -11.6659 -11.6620 -10.2477 -10.2449 -10.2305 -10.2301 -5.6548 -5.6536 -5.6489 -5.6456 -3.1206 -3.1182 -3.1166 -3.1141 -3.1082 -3.1028 3.1413 3.1466 6.1810 6.2576 6.3175 6.4173 7.0801 7.2202 7.4958 7.5584 7.8279 7.9808 8.6856 8.7593 10.0955 10.2784 11.4919 11.5098 14.2301 14.2319 14.4262 14.5163 14.9133 14.9416 15.3211 15.4805 k = 0.2325 0.1342 0.3797 ( 2804 PWs) bands (ev): -30.6389 -30.6387 -11.6655 -11.6618 -10.2470 -10.2445 -10.2300 -10.2296 -5.6549 -5.6539 -5.6490 -5.6458 -3.1207 -3.1188 -3.1170 -3.1144 -3.1085 -3.1032 3.1049 3.1103 6.1737 6.2547 6.3053 6.4069 7.0811 7.2172 7.5168 7.5650 7.8191 7.9774 8.7510 8.8166 10.1527 10.3340 11.5307 11.5491 14.1865 14.1969 14.4040 14.4865 14.8744 14.9470 15.3359 15.5136 k = 0.2250 0.1299 0.3674 ( 2800 PWs) bands (ev): -30.6389 -30.6387 -11.6650 -11.6616 -10.2463 -10.2440 -10.2295 -10.2290 -5.6550 -5.6542 -5.6492 -5.6460 -3.1208 -3.1193 -3.1174 -3.1147 -3.1088 -3.1037 3.0666 3.0719 6.1672 6.2514 6.2941 6.3987 7.0830 7.2153 7.5373 7.5715 7.8103 7.9738 8.8202 8.8780 10.2135 10.3928 11.5712 11.5900 14.1414 14.1575 14.3807 14.4485 14.8277 14.9138 15.3848 15.5268 k = 0.2175 0.1256 0.3552 ( 2800 PWs) bands (ev): -30.6390 -30.6388 -11.6646 -11.6613 -10.2455 -10.2434 -10.2290 -10.2285 -5.6551 -5.6546 -5.6494 -5.6463 -3.1209 -3.1199 -3.1178 -3.1151 -3.1092 -3.1042 3.0265 3.0318 6.1614 6.2481 6.2841 6.3925 7.0857 7.2144 7.5571 7.5779 7.8016 7.9700 8.8932 8.9436 10.2776 10.4545 11.6136 11.6324 14.0966 14.1143 14.3552 14.4023 14.7806 14.8614 15.4261 15.5322 k = 0.2100 0.1212 0.3429 ( 2806 PWs) bands (ev): -30.6390 -30.6389 -11.6641 -11.6611 -10.2446 -10.2427 -10.2285 -10.2279 -5.6552 -5.6549 -5.6497 -5.6466 -3.1211 -3.1205 -3.1182 -3.1155 -3.1097 -3.1048 2.9850 2.9901 6.1564 6.2450 6.2752 6.3877 7.0894 7.2143 7.5761 7.5841 7.7931 7.9658 8.9700 9.0135 10.3449 10.5191 11.6575 11.6760 14.0524 14.0687 14.3266 14.3479 14.7374 14.8038 15.4393 15.5331 k = 0.2025 0.1169 0.3307 ( 2818 PWs) bands (ev): -30.6391 -30.6389 -11.6636 -11.6608 -10.2437 -10.2420 -10.2280 -10.2274 -5.6554 -5.6553 -5.6500 -5.6470 -3.1213 -3.1210 -3.1186 -3.1159 -3.1102 -3.1055 2.9422 2.9471 6.1523 6.2423 6.2673 6.3840 7.0938 7.2150 7.5899 7.5942 7.7849 7.9614 9.0506 9.0877 10.4153 10.5865 11.7029 11.7209 14.0088 14.0214 14.2864 14.2943 14.7000 14.7479 15.4353 15.5302 k = 0.1950 0.1126 0.3184 ( 2812 PWs) bands (ev): -30.6391 -30.6390 -11.6631 -11.6605 -10.2427 -10.2411 -10.2275 -10.2269 -5.6556 -5.6555 -5.6504 -5.6474 -3.1216 -3.1215 -3.1190 -3.1164 -3.1108 -3.1062 2.8984 2.9030 6.1491 6.2404 6.2605 6.3809 7.0992 7.2162 7.5954 7.6114 7.7771 7.9567 9.1350 9.1663 10.4887 10.6565 11.7496 11.7668 13.9659 13.9728 14.2196 14.2580 14.6685 14.6972 15.4228 15.5235 k = 0.1875 0.1083 0.3062 ( 2812 PWs) bands (ev): -30.6392 -30.6391 -11.6625 -11.6601 -10.2417 -10.2402 -10.2270 -10.2263 -5.6560 -5.6557 -5.6508 -5.6479 -3.1222 -3.1217 -3.1194 -3.1168 -3.1115 -3.1070 2.8539 2.8582 6.1469 6.2393 6.2547 6.3784 7.1054 7.2179 7.6003 7.6276 7.7697 7.9517 9.2232 9.2493 10.5648 10.7289 11.7974 11.8137 13.9231 13.9232 14.1496 14.2178 14.6422 14.6534 15.4048 15.5127 k = 0.1800 0.1039 0.2939 ( 2812 PWs) bands (ev): -30.6393 -30.6392 -11.6620 -11.6598 -10.2406 -10.2393 -10.2264 -10.2258 -5.6563 -5.6559 -5.6512 -5.6484 -3.1228 -3.1220 -3.1199 -3.1173 -3.1122 -3.1079 2.8089 2.8130 6.1455 6.2389 6.2498 6.3761 7.1125 7.2201 7.6048 7.6428 7.7628 7.9463 9.3152 9.3367 10.6436 10.8035 11.8461 11.8613 13.8722 13.8804 14.0793 14.1748 14.6167 14.6202 15.3828 15.4977 k = 0.1725 0.0996 0.2817 ( 2812 PWs) bands (ev): -30.6393 -30.6392 -11.6614 -11.6594 -10.2394 -10.2383 -10.2259 -10.2254 -5.6567 -5.6561 -5.6516 -5.6489 -3.1233 -3.1223 -3.1203 -3.1178 -3.1130 -3.1088 2.7638 2.7675 6.1451 6.2393 6.2457 6.3739 7.1203 7.2225 7.6088 7.6568 7.7565 7.9406 9.4108 9.4284 10.7249 10.8802 11.8955 11.9094 13.8202 13.8361 14.0113 14.1302 14.5868 14.6018 15.3575 15.4787 k = 0.1650 0.0953 0.2694 ( 2806 PWs) bands (ev): -30.6394 -30.6393 -11.6608 -11.6591 -10.2383 -10.2373 -10.2254 -10.2249 -5.6570 -5.6563 -5.6521 -5.6495 -3.1239 -3.1226 -3.1208 -3.1183 -3.1138 -3.1098 2.7187 2.7221 6.1455 6.2403 6.2425 6.3717 7.1288 7.2253 7.6123 7.6699 7.7507 7.9346 9.5101 9.5243 10.8084 10.9587 11.9453 11.9580 13.7670 13.7883 13.9494 14.0860 14.5628 14.5861 15.3294 15.4554 k = 0.1575 0.0909 0.2572 ( 2804 PWs) bands (ev): -30.6395 -30.6394 -11.6603 -11.6587 -10.2371 -10.2362 -10.2249 -10.2244 -5.6573 -5.6565 -5.6526 -5.6501 -3.1244 -3.1229 -3.1213 -3.1188 -3.1146 -3.1108 2.6740 2.6770 6.1468 6.2399 6.2420 6.3694 7.1380 7.2283 7.6154 7.6818 7.7454 7.9283 9.6129 9.6244 10.8940 11.0387 11.9952 12.0066 13.7127 13.7348 13.8970 14.0435 14.5437 14.5728 15.2989 15.4280 k = 0.1500 0.0866 0.2449 ( 2800 PWs) bands (ev): -30.6395 -30.6395 -11.6597 -11.6583 -10.2359 -10.2351 -10.2244 -10.2240 -5.6576 -5.6568 -5.6532 -5.6507 -3.1249 -3.1233 -3.1217 -3.1192 -3.1155 -3.1119 2.6298 2.6325 6.1488 6.2381 6.2442 6.3669 7.1477 7.2316 7.6182 7.6926 7.7407 7.9215 9.7192 9.7285 10.9813 11.1199 12.0448 12.0551 13.6575 13.6750 13.8556 14.0041 14.5286 14.5613 15.2663 15.3966 k = 0.1425 0.0823 0.2327 ( 2798 PWs) bands (ev): -30.6396 -30.6395 -11.6591 -11.6579 -10.2346 -10.2339 -10.2240 -10.2235 -5.6579 -5.6570 -5.6537 -5.6514 -3.1254 -3.1237 -3.1222 -3.1197 -3.1164 -3.1130 2.5864 2.5888 6.1516 6.2369 6.2467 6.3642 7.1578 7.2350 7.6208 7.7024 7.7365 7.9145 9.8290 9.8366 11.0702 11.2020 12.0938 12.1032 13.6016 13.6107 13.8247 13.9687 14.5170 14.5515 15.2321 15.3611 k = 0.1350 0.0779 0.2205 ( 2790 PWs) bands (ev): -30.6397 -30.6396 -11.6586 -11.6575 -10.2334 -10.2328 -10.2235 -10.2231 -5.6582 -5.6572 -5.6543 -5.6520 -3.1259 -3.1240 -3.1227 -3.1201 -3.1172 -3.1142 2.5440 2.5461 6.1550 6.2362 6.2495 6.3613 7.1684 7.2387 7.6233 7.7111 7.7328 7.9070 9.9420 9.9483 11.1603 11.2845 12.1418 12.1507 13.5441 13.5454 13.8026 13.9380 14.5082 14.5429 15.1966 15.3215 k = 0.1275 0.0736 0.2082 ( 2790 PWs) bands (ev): -30.6397 -30.6397 -11.6580 -11.6571 -10.2321 -10.2316 -10.2231 -10.2227 -5.6585 -5.6575 -5.6548 -5.6527 -3.1263 -3.1244 -3.1233 -3.1206 -3.1181 -3.1153 2.5028 2.5046 6.1590 6.2361 6.2525 6.3582 7.1792 7.2424 7.6257 7.7188 7.7295 7.8992 10.0581 10.0635 11.2511 11.3670 12.1884 12.1973 13.4773 13.4893 13.7883 13.9123 14.5019 14.5355 15.1602 15.2778 k = 0.1200 0.0693 0.1960 ( 2790 PWs) bands (ev): -30.6398 -30.6397 -11.6575 -11.6567 -10.2309 -10.2305 -10.2227 -10.2223 -5.6588 -5.6577 -5.6554 -5.6534 -3.1268 -3.1248 -3.1238 -3.1210 -3.1189 -3.1165 2.4630 2.4645 6.1635 6.2364 6.2555 6.3548 7.1902 7.2463 7.6283 7.7254 7.7266 7.8911 10.1772 10.1820 11.3424 11.4488 12.2333 12.2427 13.4114 13.4337 13.7811 13.8916 14.4979 14.5288 15.1231 15.2299 k = 0.1125 0.0650 0.1837 ( 2788 PWs) bands (ev): -30.6398 -30.6398 -11.6570 -11.6563 -10.2297 -10.2293 -10.2223 -10.2220 -5.6590 -5.6579 -5.6559 -5.6540 -3.1272 -3.1253 -3.1243 -3.1214 -3.1196 -3.1176 2.4248 2.4261 6.1686 6.2371 6.2585 6.3511 7.2011 7.2503 7.6311 7.7241 7.7311 7.8826 10.2990 10.3034 11.4334 11.5295 12.2761 12.2868 13.3473 13.3790 13.7809 13.8761 14.4961 14.5228 15.0859 15.1776 k = 0.1050 0.0606 0.1715 ( 2772 PWs) bands (ev): -30.6399 -30.6399 -11.6565 -11.6559 -10.2285 -10.2282 -10.2219 -10.2216 -5.6593 -5.6582 -5.6565 -5.6547 -3.1276 -3.1257 -3.1249 -3.1217 -3.1203 -3.1188 2.3883 2.3894 6.1740 6.2382 6.2615 6.3472 7.2120 7.2544 7.6341 7.7220 7.7358 7.8738 10.4234 10.4275 11.5237 11.6083 12.3166 12.3293 13.2854 13.3254 13.7874 13.8654 14.4967 14.5170 15.0488 15.1212 k = 0.0975 0.0563 0.1592 ( 2772 PWs) bands (ev): -30.6400 -30.6399 -11.6560 -11.6555 -10.2274 -10.2271 -10.2216 -10.2213 -5.6595 -5.6584 -5.6570 -5.6553 -3.1279 -3.1261 -3.1255 -3.1221 -3.1210 -3.1199 2.3537 2.3546 6.1799 6.2396 6.2642 6.3430 7.2227 7.2586 7.6376 7.7202 7.7396 7.8646 10.5499 10.5538 11.6124 11.6845 12.3546 12.3700 13.2261 13.2732 13.8004 13.8592 14.4996 14.5110 15.0123 15.0607 k = 0.0900 0.0520 0.1470 ( 2775 PWs) bands (ev): -30.6400 -30.6400 -11.6555 -11.6552 -10.2263 -10.2261 -10.2212 -10.2210 -5.6597 -5.6586 -5.6575 -5.6559 -3.1283 -3.1265 -3.1260 -3.1224 -3.1216 -3.1210 2.3211 2.3218 6.1860 6.2413 6.2667 6.3385 7.2330 7.2628 7.6415 7.7187 7.7425 7.8551 10.6782 10.6820 11.6988 11.7573 12.3904 12.4089 13.1695 13.2222 13.8194 13.8569 14.5043 14.5053 14.9769 14.9973 k = 0.0825 0.0476 0.1347 ( 2775 PWs) bands (ev): -30.6401 -30.6401 -11.6551 -11.6548 -10.2253 -10.2251 -10.2209 -10.2207 -5.6599 -5.6589 -5.6580 -5.6565 -3.1286 -3.1269 -3.1266 -3.1228 -3.1221 -3.1220 2.2907 2.2912 6.1925 6.2433 6.2689 6.3339 7.2429 7.2669 7.6460 7.7176 7.7446 7.8454 10.8078 10.8114 11.7817 11.8261 12.4241 12.4458 13.1158 13.1725 13.8434 13.8578 14.4962 14.5140 14.9326 14.9431 k = 0.0750 0.0433 0.1225 ( 2773 PWs) bands (ev): -30.6401 -30.6401 -11.6547 -11.6545 -10.2243 -10.2242 -10.2206 -10.2205 -5.6600 -5.6591 -5.6584 -5.6571 -3.1289 -3.1273 -3.1272 -3.1234 -3.1228 -3.1225 2.2626 2.2630 6.1991 6.2454 6.2707 6.3289 7.2522 7.2711 7.6510 7.7169 7.7459 7.8354 10.9382 10.9414 11.8600 11.8901 12.4562 12.4807 13.0649 13.1237 13.8606 13.8706 14.4859 14.5264 14.8700 14.9116 k = 0.0675 0.0390 0.1102 ( 2773 PWs) bands (ev): -30.6402 -30.6401 -11.6544 -11.6542 -10.2234 -10.2233 -10.2204 -10.2202 -5.6602 -5.6593 -5.6588 -5.6576 -3.1291 -3.1277 -3.1276 -3.1242 -3.1231 -3.1229 2.2368 2.2371 6.2059 6.2477 6.2722 6.3238 7.2608 7.2752 7.6565 7.7166 7.7465 7.8252 11.0685 11.0712 11.9324 11.9491 12.4872 12.5134 13.0166 13.0754 13.8643 13.8982 14.4730 14.5430 14.8136 14.8832 k = 0.0600 0.0346 0.0980 ( 2771 PWs) bands (ev): -30.6402 -30.6402 -11.6540 -11.6539 -10.2226 -10.2225 -10.2201 -10.2200 -5.6603 -5.6595 -5.6592 -5.6581 -3.1294 -3.1282 -3.1280 -3.1251 -3.1234 -3.1232 2.2135 2.2137 6.2129 6.2502 6.2734 6.3184 7.2686 7.2791 7.6627 7.7167 7.7465 7.8148 11.1979 11.1998 11.9979 12.0026 12.5176 12.5438 12.9706 13.0270 13.8674 13.9217 14.4593 14.5643 14.7679 14.8585 k = 0.0525 0.0303 0.0857 ( 2767 PWs) bands (ev): -30.6402 -30.6402 -11.6538 -11.6537 -10.2218 -10.2217 -10.2199 -10.2198 -5.6604 -5.6597 -5.6595 -5.6586 -3.1295 -3.1286 -3.1283 -3.1260 -3.1236 -3.1235 2.1927 2.1929 6.2199 6.2527 6.2741 6.3129 7.2756 7.2828 7.6694 7.7172 7.7458 7.8043 11.3248 11.3259 12.0508 12.0555 12.5476 12.5715 12.9265 12.9778 13.8685 13.9353 14.4503 14.5908 14.7357 14.8383 k = 0.0450 0.0260 0.0735 ( 2755 PWs) bands (ev): -30.6403 -30.6403 -11.6535 -11.6534 -10.2211 -10.2211 -10.2197 -10.2197 -5.6605 -5.6598 -5.6598 -5.6590 -3.1297 -3.1290 -3.1286 -3.1267 -3.1238 -3.1237 2.1746 2.1747 6.2270 6.2552 6.2745 6.3071 7.2816 7.2864 7.6767 7.7181 7.7446 7.7937 11.4476 11.4477 12.0943 12.1049 12.5769 12.5964 12.8837 12.9272 13.8666 13.9336 14.4545 14.6225 14.7168 14.8229 k = 0.0375 0.0217 0.0612 ( 2747 PWs) bands (ev): -30.6403 -30.6403 -11.6533 -11.6532 -10.2206 -10.2205 -10.2196 -10.2195 -5.6605 -5.6600 -5.6600 -5.6594 -3.1298 -3.1292 -3.1289 -3.1274 -3.1239 -3.1239 2.1592 2.1592 6.2341 6.2578 6.2744 6.3012 7.2867 7.2895 7.6846 7.7194 7.7429 7.7830 11.5627 11.5635 12.1337 12.1467 12.6044 12.6181 12.8412 12.8749 13.8610 13.9160 14.4775 14.6587 14.7088 14.8124 k = 0.0300 0.0173 0.0490 ( 2739 PWs) bands (ev): -30.6403 -30.6403 -11.6531 -11.6531 -10.2201 -10.2201 -10.2195 -10.2194 -5.6606 -5.6602 -5.6601 -5.6597 -3.1299 -3.1295 -3.1291 -3.1281 -3.1241 -3.1240 2.1465 2.1465 6.2412 6.2603 6.2740 6.2950 7.2908 7.2923 7.6929 7.7211 7.7409 7.7723 11.6677 11.6689 12.1704 12.1821 12.6287 12.6365 12.7986 12.8214 13.8520 13.8883 14.5190 14.6974 14.7093 14.8057 k = 0.0225 0.0130 0.0367 ( 2739 PWs) bands (ev): -30.6403 -30.6403 -11.6529 -11.6529 -10.2197 -10.2197 -10.2194 -10.2193 -5.6606 -5.6603 -5.6602 -5.6599 -3.1300 -3.1296 -3.1293 -3.1286 -3.1242 -3.1241 2.1365 2.1365 6.2483 6.2627 6.2732 6.2887 7.2940 7.2946 7.7018 7.7231 7.7385 7.7617 11.7580 11.7591 12.2051 12.2131 12.6484 12.6514 12.7562 12.7686 13.8406 13.8589 14.5742 14.7159 14.7336 14.8014 k = 0.0150 0.0087 0.0245 ( 2739 PWs) bands (ev): -30.6403 -30.6403 -11.6528 -11.6528 -10.2194 -10.2194 -10.2193 -10.2193 -5.6606 -5.6604 -5.6603 -5.6602 -3.1299 -3.1297 -3.1294 -3.1290 -3.1242 -3.1242 2.1294 2.1294 6.2553 6.2650 6.2721 6.2823 7.2962 7.2964 7.7110 7.7254 7.7359 7.7511 11.8279 11.8285 12.2371 12.2407 12.6624 12.6626 12.7163 12.7207 13.8289 13.8350 14.6369 14.7269 14.7580 14.7975 k = 0.0075 0.0043 0.0122 ( 2741 PWs) bands (ev): -30.6404 -30.6404 -11.6528 -11.6528 -10.2193 -10.2193 -10.2192 -10.2192 -5.6605 -5.6605 -5.6604 -5.6603 -3.1298 -3.1297 -3.1296 -3.1294 -3.1243 -3.1243 2.1251 2.1251 6.2622 6.2671 6.2707 6.2757 7.2974 7.2975 7.7206 7.7279 7.7332 7.7407 11.8721 11.8722 12.2618 12.2624 12.6699 12.6703 12.6852 12.6856 13.8196 13.8204 14.7001 14.7405 14.7626 14.7866 k = 0.0000 0.0000 0.0000 ( 2741 PWs) bands (ev): -30.6404 -30.6404 -11.6528 -11.6528 -10.2192 -10.2192 -10.2192 -10.2192 -5.6604 -5.6604 -5.6604 -5.6604 -3.1297 -3.1297 -3.1297 -3.1297 -3.1243 -3.1243 2.1237 2.1237 6.2690 6.2690 6.2690 6.2690 7.2978 7.2978 7.7305 7.7305 7.7305 7.7305 11.8871 11.8871 12.2714 12.2714 12.6726 12.6726 12.6726 12.6726 13.8158 13.8158 14.7539 14.7539 14.7539 14.7539 k = 0.0000 0.0000 0.0000 ( 2741 PWs) bands (ev): -30.6404 -30.6404 -11.6528 -11.6528 -10.2192 -10.2192 -10.2192 -10.2192 -5.6604 -5.6604 -5.6604 -5.6604 -3.1297 -3.1297 -3.1297 -3.1297 -3.1243 -3.1243 2.1237 2.1237 6.2690 6.2690 6.2690 6.2690 7.2978 7.2978 7.7305 7.7305 7.7305 7.7305 11.8871 11.8871 12.2714 12.2714 12.6726 12.6726 12.6726 12.6726 13.8158 13.8158 14.7539 14.7539 14.7539 14.7539 k = 0.0122 0.0070 0.0050 ( 2740 PWs) bands (ev): -30.6404 -30.6404 -11.6528 -11.6528 -10.2193 -10.2193 -10.2192 -10.2192 -5.6605 -5.6604 -5.6604 -5.6603 -3.1298 -3.1296 -3.1296 -3.1294 -3.1243 -3.1243 2.1251 2.1251 6.2620 6.2689 6.2689 6.2759 7.2974 7.2974 7.7203 7.7306 7.7306 7.7410 11.8723 11.8723 12.2622 12.2622 12.6712 12.6720 12.6839 12.6839 13.8199 13.8199 14.6985 14.7526 14.7526 14.7861 k = 0.0244 0.0141 0.0100 ( 2740 PWs) bands (ev): -30.6403 -30.6403 -11.6528 -11.6528 -10.2194 -10.2194 -10.2193 -10.2193 -5.6606 -5.6604 -5.6604 -5.6602 -3.1299 -3.1296 -3.1296 -3.1290 -3.1242 -3.1242 2.1294 2.1294 6.2549 6.2685 6.2685 6.2827 7.2963 7.2963 7.7104 7.7306 7.7306 7.7518 11.8284 11.8284 12.2392 12.2392 12.6676 12.6691 12.7125 12.7125 13.8319 13.8319 14.6328 14.7503 14.7503 14.7839 k = 0.0366 0.0211 0.0149 ( 2737 PWs) bands (ev): -30.6403 -30.6403 -11.6529 -11.6529 -10.2197 -10.2197 -10.2194 -10.2193 -5.6605 -5.6603 -5.6603 -5.6600 -3.1299 -3.1295 -3.1295 -3.1286 -3.1242 -3.1242 2.1364 2.1364 6.2478 6.2679 6.2679 6.2893 7.2943 7.2943 7.7009 7.7307 7.7307 7.7627 11.7581 11.7581 12.2104 12.2104 12.6619 12.6638 12.7492 12.7492 13.8503 13.8503 14.5644 14.7511 14.7511 14.7522 k = 0.0488 0.0282 0.0199 ( 2737 PWs) bands (ev): -30.6403 -30.6403 -11.6531 -11.6531 -10.2200 -10.2200 -10.2195 -10.2194 -5.6605 -5.6602 -5.6602 -5.6597 -3.1298 -3.1293 -3.1293 -3.1281 -3.1241 -3.1241 2.1463 2.1463 6.2407 6.2671 6.2671 6.2956 7.2917 7.2917 7.6918 7.7308 7.7308 7.7736 11.6660 11.6660 12.1801 12.1801 12.6541 12.6561 12.7863 12.7863 13.8727 13.8727 14.4968 14.7052 14.7595 14.7595 k = 0.0610 0.0352 0.0249 ( 2743 PWs) bands (ev): -30.6403 -30.6403 -11.6532 -11.6532 -10.2205 -10.2205 -10.2196 -10.2195 -5.6604 -5.6600 -5.6600 -5.6594 -3.1297 -3.1291 -3.1291 -3.1274 -3.1239 -3.1239 2.1589 2.1589 6.2337 6.2661 6.2661 6.3017 7.2883 7.2883 7.6832 7.7309 7.7309 7.7847 11.5574 11.5574 12.1491 12.1491 12.6441 12.6457 12.8200 12.8200 13.8965 13.8965 14.4322 14.6528 14.7791 14.7791 k = 0.0732 0.0422 0.0299 ( 2749 PWs) bands (ev): -30.6403 -30.6403 -11.6534 -11.6534 -10.2211 -10.2211 -10.2197 -10.2197 -5.6603 -5.6598 -5.6598 -5.6591 -3.1294 -3.1289 -3.1289 -3.1268 -3.1238 -3.1238 2.1742 2.1742 6.2268 6.2649 6.2649 6.3075 7.2842 7.2842 7.6752 7.7309 7.7309 7.7957 11.4368 11.4368 12.1171 12.1171 12.6317 12.6324 12.8487 12.8487 13.9192 13.9192 14.3719 14.6001 14.8125 14.8125 k = 0.0854 0.0493 0.0349 ( 2761 PWs) bands (ev): -30.6402 -30.6402 -11.6537 -11.6537 -10.2217 -10.2217 -10.2199 -10.2199 -5.6601 -5.6596 -5.6596 -5.6588 -3.1290 -3.1286 -3.1286 -3.1260 -3.1236 -3.1236 2.1923 2.1923 6.2201 6.2636 6.2636 6.3129 7.2796 7.2796 7.6677 7.7307 7.7307 7.8066 11.3077 11.3077 12.0834 12.0834 12.6160 12.6170 12.8720 12.8720 13.9391 13.9391 14.3167 14.5496 14.8608 14.8608 k = 0.0976 0.0563 0.0398 ( 2767 PWs) bands (ev): -30.6402 -30.6402 -11.6540 -11.6540 -10.2225 -10.2225 -10.2201 -10.2200 -5.6599 -5.6594 -5.6594 -5.6584 -3.1286 -3.1283 -3.1283 -3.1252 -3.1234 -3.1234 2.2129 2.2129 6.2135 6.2621 6.2621 6.3180 7.2744 7.2744 7.6608 7.7305 7.7305 7.8173 11.1727 11.1727 12.0479 12.0479 12.5964 12.5998 12.8906 12.8906 13.9555 13.9555 14.2672 14.5028 14.9234 14.9234 k = 0.1098 0.0634 0.0448 ( 2767 PWs) bands (ev): -30.6402 -30.6402 -11.6543 -11.6543 -10.2233 -10.2233 -10.2204 -10.2203 -5.6596 -5.6591 -5.6591 -5.6580 -3.1281 -3.1280 -3.1280 -3.1243 -3.1231 -3.1231 2.2361 2.2361 6.2072 6.2606 6.2606 6.3227 7.2687 7.2687 7.6546 7.7300 7.7300 7.8279 11.0336 11.0336 12.0104 12.0104 12.5736 12.5801 12.9050 12.9050 13.9687 13.9687 14.2239 14.4606 14.9989 14.9989 k = 0.1220 0.0704 0.0498 ( 2764 PWs) bands (ev): -30.6401 -30.6401 -11.6546 -11.6546 -10.2242 -10.2242 -10.2206 -10.2205 -5.6593 -5.6588 -5.6588 -5.6576 -3.1276 -3.1276 -3.1275 -3.1234 -3.1229 -3.1229 2.2617 2.2617 6.2012 6.2591 6.2591 6.3269 7.2626 7.2626 7.6491 7.7293 7.7293 7.8382 10.8918 10.8918 11.9710 11.9710 12.5473 12.5577 12.9161 12.9161 13.9795 13.9795 14.1871 14.4233 15.0852 15.0852 k = 0.1341 0.0774 0.0548 ( 2773 PWs) bands (ev): -30.6401 -30.6401 -11.6550 -11.6550 -10.2252 -10.2252 -10.2209 -10.2208 -5.6590 -5.6585 -5.6585 -5.6571 -3.1272 -3.1272 -3.1268 -3.1226 -3.1226 -3.1224 2.2898 2.2898 6.1954 6.2576 6.2576 6.3307 7.2562 7.2562 7.6442 7.7282 7.7282 7.8481 10.7483 10.7483 11.9299 11.9299 12.5178 12.5328 12.9248 12.9248 13.9892 13.9892 14.1570 14.3915 15.1801 15.1801 k = 0.1463 0.0845 0.0597 ( 2782 PWs) bands (ev): -30.6400 -30.6400 -11.6554 -11.6554 -10.2262 -10.2262 -10.2212 -10.2210 -5.6587 -5.6581 -5.6581 -5.6566 -3.1268 -3.1268 -3.1260 -3.1223 -3.1223 -3.1213 2.3201 2.3201 6.1900 6.2562 6.2562 6.3340 7.2495 7.2495 7.6402 7.7267 7.7267 7.8577 10.6040 10.6040 11.8874 11.8874 12.4851 12.5053 12.9316 12.9316 13.9986 13.9986 14.1336 14.3653 15.2815 15.2815 k = 0.1585 0.0915 0.0647 ( 2788 PWs) bands (ev): -30.6400 -30.6400 -11.6558 -11.6558 -10.2273 -10.2273 -10.2215 -10.2213 -5.6583 -5.6578 -5.6578 -5.6561 -3.1263 -3.1263 -3.1252 -3.1219 -3.1219 -3.1203 2.3526 2.3526 6.1850 6.2550 6.2550 6.3368 7.2426 7.2426 7.6369 7.7248 7.7248 7.8668 10.4596 10.4596 11.8438 11.8438 12.4495 12.4753 12.9371 12.9371 14.0087 14.0087 14.1169 14.3448 15.3876 15.3876 k = 0.1707 0.0986 0.0697 ( 2788 PWs) bands (ev): -30.6399 -30.6399 -11.6562 -11.6562 -10.2285 -10.2285 -10.2218 -10.2216 -5.6578 -5.6574 -5.6574 -5.6556 -3.1259 -3.1259 -3.1243 -3.1216 -3.1216 -3.1192 2.3872 2.3872 6.1804 6.2540 6.2540 6.3391 7.2355 7.2355 7.6343 7.7224 7.7224 7.8754 10.3156 10.3157 11.7995 11.7995 12.4113 12.4431 12.9418 12.9418 14.0202 14.0202 14.1065 14.3299 15.4967 15.4967 k = 0.1829 0.1056 0.0747 ( 2794 PWs) bands (ev): -30.6398 -30.6398 -11.6567 -11.6567 -10.2297 -10.2297 -10.2221 -10.2220 -5.6574 -5.6570 -5.6570 -5.6551 -3.1253 -3.1253 -3.1234 -3.1212 -3.1212 -3.1180 2.4237 2.4237 6.1762 6.2532 6.2532 6.3409 7.2284 7.2284 7.6326 7.7194 7.7194 7.8834 10.1726 10.1726 11.7546 11.7546 12.3708 12.4088 12.9462 12.9462 14.0334 14.0334 14.1024 14.3205 15.6074 15.6074 k = 0.1951 0.1127 0.0797 ( 2803 PWs) bands (ev): -30.6398 -30.6398 -11.6571 -11.6571 -10.2309 -10.2309 -10.2224 -10.2223 -5.6569 -5.6565 -5.6565 -5.6545 -3.1248 -3.1248 -3.1224 -3.1209 -3.1209 -3.1169 2.4620 2.4620 6.1725 6.2529 6.2529 6.3421 7.2213 7.2213 7.6316 7.7157 7.7157 7.8908 10.0310 10.0310 11.7096 11.7096 12.3286 12.3726 12.9506 12.9506 14.0487 14.0487 14.1040 14.3165 15.7179 15.7179 k = 0.2073 0.1197 0.0846 ( 2794 PWs) bands (ev): -30.6397 -30.6397 -11.6576 -11.6576 -10.2322 -10.2322 -10.2228 -10.2226 -5.6564 -5.6561 -5.6561 -5.6540 -3.1243 -3.1243 -3.1214 -3.1205 -3.1205 -3.1157 2.5019 2.5019 6.1692 6.2530 6.2530 6.3429 7.2142 7.2142 7.6314 7.7112 7.7112 7.8976 9.8911 9.8911 11.6648 11.6648 12.2850 12.3349 12.9553 12.9553 14.0662 14.0662 14.1112 14.3177 15.8266 15.8266 k = 0.2195 0.1267 0.0896 ( 2788 PWs) bands (ev): -30.6396 -30.6396 -11.6581 -11.6581 -10.2335 -10.2335 -10.2231 -10.2230 -5.6559 -5.6556 -5.6556 -5.6534 -3.1237 -3.1237 -3.1203 -3.1201 -3.1201 -3.1145 2.5433 2.5433 6.1665 6.2536 6.2536 6.3431 7.2072 7.2072 7.6321 7.7060 7.7060 7.9037 9.7534 9.7534 11.6203 11.6203 12.2404 12.2959 12.9606 12.9606 14.0861 14.0861 14.1234 14.3236 15.9306 15.9306 k = 0.2317 0.1338 0.0946 ( 2788 PWs) bands (ev): -30.6396 -30.6396 -11.6586 -11.6586 -10.2348 -10.2348 -10.2235 -10.2233 -5.6554 -5.6552 -5.6552 -5.6529 -3.1231 -3.1231 -3.1196 -3.1196 -3.1192 -3.1134 2.5860 2.5860 6.1642 6.2549 6.2549 6.3427 7.2003 7.2003 7.6336 7.6999 7.6999 7.9090 9.6182 9.6182 11.5765 11.5765 12.1954 12.2559 12.9667 12.9667 14.1083 14.1083 14.1402 14.3341 16.0257 16.0257 k = 0.2439 0.1408 0.0996 ( 2794 PWs) bands (ev): -30.6395 -30.6395 -11.6591 -11.6591 -10.2362 -10.2362 -10.2238 -10.2237 -5.6549 -5.6547 -5.6547 -5.6523 -3.1226 -3.1226 -3.1192 -3.1192 -3.1180 -3.1122 2.6297 2.6297 6.1625 6.2568 6.2568 6.3419 7.1935 7.1935 7.6358 7.6929 7.6929 7.9135 9.4858 9.4858 11.5336 11.5336 12.1503 12.2154 12.9736 12.9736 14.1327 14.1327 14.1613 14.3488 16.1042 16.1042 k = 0.2561 0.1479 0.1046 ( 2806 PWs) bands (ev): -30.6394 -30.6394 -11.6596 -11.6596 -10.2375 -10.2375 -10.2242 -10.2241 -5.6543 -5.6542 -5.6542 -5.6518 -3.1220 -3.1220 -3.1188 -3.1188 -3.1169 -3.1110 2.6743 2.6743 6.1613 6.2596 6.2596 6.3405 7.1869 7.1869 7.6388 7.6849 7.6849 7.9172 9.3565 9.3565 11.4918 11.4918 12.1056 12.1745 12.9817 12.9817 14.1593 14.1593 14.1862 14.3672 16.1538 16.1538 k = 0.2683 0.1549 0.1095 ( 2803 PWs) bands (ev): -30.6394 -30.6394 -11.6601 -11.6601 -10.2388 -10.2388 -10.2245 -10.2244 -5.6538 -5.6538 -5.6538 -5.6513 -3.1214 -3.1214 -3.1184 -3.1184 -3.1157 -3.1099 2.7196 2.7196 6.1606 6.2634 6.2634 6.3387 7.1804 7.1804 7.6426 7.6757 7.6757 7.9200 9.2308 9.2308 11.4513 11.4513 12.0615 12.1336 12.9910 12.9910 14.1879 14.1879 14.2146 14.3892 16.1609 16.1609 k = 0.2805 0.1619 0.1145 ( 2797 PWs) bands (ev): -30.6393 -30.6393 -11.6605 -11.6605 -10.2401 -10.2401 -10.2249 -10.2248 -5.6533 -5.6533 -5.6532 -5.6508 -3.1208 -3.1208 -3.1180 -3.1180 -3.1145 -3.1088 2.7653 2.7653 6.1605 6.2682 6.2682 6.3363 7.1739 7.1739 7.6472 7.6654 7.6654 7.9220 9.1090 9.1090 11.4122 11.4122 12.0185 12.0929 13.0016 13.0016 14.2184 14.2184 14.2460 14.4142 16.1237 16.1237 k = 0.2927 0.1690 0.1195 ( 2800 PWs) bands (ev): -30.6392 -30.6392 -11.6610 -11.6610 -10.2414 -10.2414 -10.2252 -10.2251 -5.6528 -5.6528 -5.6527 -5.6503 -3.1202 -3.1202 -3.1176 -3.1176 -3.1134 -3.1077 2.8111 2.8111 6.1609 6.2741 6.2741 6.3335 7.1675 7.1675 7.6525 7.6538 7.6538 7.9231 8.9915 8.9915 11.3746 11.3746 11.9768 12.0528 13.0136 13.0136 14.2505 14.2505 14.2801 14.4419 16.0543 16.0543 k = 0.3049 0.1760 0.1245 ( 2800 PWs) bands (ev): -30.6392 -30.6392 -11.6615 -11.6615 -10.2427 -10.2427 -10.2256 -10.2255 -5.6524 -5.6524 -5.6521 -5.6498 -3.1197 -3.1197 -3.1172 -3.1172 -3.1122 -3.1067 2.8568 2.8568 6.1619 6.2813 6.2813 6.3302 7.1610 7.1610 7.6409 7.6409 7.6584 7.9232 8.8787 8.8787 11.3388 11.3388 11.9367 12.0135 13.0269 13.0269 14.2839 14.2839 14.3166 14.4718 15.9662 15.9662 k = 0.3171 0.1831 0.1294 ( 2794 PWs) bands (ev): -30.6391 -30.6391 -11.6619 -11.6619 -10.2439 -10.2439 -10.2259 -10.2258 -5.6519 -5.6519 -5.6516 -5.6493 -3.1191 -3.1191 -3.1168 -3.1168 -3.1110 -3.1057 2.9021 2.9021 6.1634 6.2898 6.2898 6.3264 7.1542 7.1542 7.6265 7.6265 7.6651 7.9225 8.7711 8.7711 11.3048 11.3048 11.8984 11.9752 13.0417 13.0417 14.3185 14.3185 14.3550 14.5036 15.8686 15.8686 k = 0.3293 0.1901 0.1344 ( 2812 PWs) bands (ev): -30.6391 -30.6391 -11.6624 -11.6624 -10.2451 -10.2451 -10.2262 -10.2261 -5.6515 -5.6515 -5.6511 -5.6489 -3.1186 -3.1186 -3.1164 -3.1164 -3.1099 -3.1048 2.9467 2.9467 6.1654 6.2998 6.2998 6.3223 7.1471 7.1471 7.6106 7.6106 7.6724 7.9208 8.6691 8.6691 11.2727 11.2727 11.8621 11.9381 13.0577 13.0577 14.3539 14.3539 14.3949 14.5368 15.7670 15.7670 k = 0.3415 0.1971 0.1394 ( 2806 PWs) bands (ev): -30.6390 -30.6390 -11.6628 -11.6628 -10.2462 -10.2462 -10.2265 -10.2264 -5.6510 -5.6510 -5.6505 -5.6485 -3.1180 -3.1180 -3.1160 -3.1160 -3.1088 -3.1039 2.9903 2.9903 6.1679 6.3114 6.3114 6.3177 7.1394 7.1394 7.5932 7.5932 7.6804 7.9183 8.5735 8.5735 11.2426 11.2426 11.8281 11.9024 13.0750 13.0750 14.3897 14.3897 14.4360 14.5710 15.6648 15.6648 k = 0.3537 0.2042 0.1444 ( 2806 PWs) bands (ev): -30.6389 -30.6389 -11.6632 -11.6632 -10.2473 -10.2473 -10.2268 -10.2267 -5.6506 -5.6506 -5.6500 -5.6481 -3.1175 -3.1175 -3.1157 -3.1157 -3.1077 -3.1031 3.0325 3.0325 6.1709 6.3128 6.3246 6.3246 7.1308 7.1308 7.5744 7.5744 7.6889 7.9148 8.4845 8.4845 11.2146 11.2146 11.7964 11.8684 13.0935 13.0935 14.4257 14.4257 14.4778 14.6056 15.5641 15.5641 k = 0.3659 0.2112 0.1494 ( 2809 PWs) bands (ev): -30.6389 -30.6389 -11.6636 -11.6636 -10.2483 -10.2483 -10.2271 -10.2270 -5.6503 -5.6503 -5.6496 -5.6477 -3.1171 -3.1171 -3.1153 -3.1153 -3.1067 -3.1024 3.0730 3.0730 6.1744 6.3075 6.3394 6.3394 7.1211 7.1211 7.5542 7.5542 7.6979 7.9105 8.4029 8.4029 11.1887 11.1887 11.7672 11.8361 13.1130 13.1130 14.4613 14.4613 14.5198 14.6401 15.4665 15.4665 k = 0.3780 0.2183 0.1543 ( 2809 PWs) bands (ev): -30.6388 -30.6388 -11.6640 -11.6640 -10.2492 -10.2492 -10.2274 -10.2273 -5.6499 -5.6499 -5.6491 -5.6474 -3.1166 -3.1166 -3.1150 -3.1150 -3.1057 -3.1017 3.1115 3.1115 6.1784 6.3019 6.3560 6.3560 7.1097 7.1097 7.5329 7.5329 7.7074 7.9053 8.3290 8.3290 11.1649 11.1649 11.7406 11.8057 13.1331 13.1331 14.4960 14.4960 14.5617 14.6741 15.3733 15.3733 k = 0.3902 0.2253 0.1593 ( 2806 PWs) bands (ev): -30.6388 -30.6388 -11.6643 -11.6643 -10.2501 -10.2501 -10.2276 -10.2275 -5.6496 -5.6496 -5.6487 -5.6471 -3.1162 -3.1162 -3.1148 -3.1148 -3.1048 -3.1011 3.1476 3.1476 6.1827 6.2961 6.3742 6.3742 7.0964 7.0964 7.5111 7.5111 7.7174 7.8993 8.2631 8.2631 11.1433 11.1433 11.7168 11.7774 13.1538 13.1538 14.5294 14.5294 14.6029 14.7068 15.2856 15.2856 k = 0.4024 0.2323 0.1643 ( 2809 PWs) bands (ev): -30.6388 -30.6388 -11.6646 -11.6646 -10.2509 -10.2509 -10.2278 -10.2277 -5.6493 -5.6493 -5.6483 -5.6469 -3.1158 -3.1158 -3.1145 -3.1145 -3.1039 -3.1006 3.1811 3.1811 6.1875 6.2900 6.3939 6.3939 7.0809 7.0809 7.4893 7.4893 7.7277 7.8925 8.2054 8.2054 11.1239 11.1239 11.6958 11.7512 13.1745 13.1745 14.5607 14.5607 14.6429 14.7377 15.2045 15.2045 k = 0.4146 0.2394 0.1693 ( 2815 PWs) bands (ev): -30.6387 -30.6387 -11.6649 -11.6649 -10.2516 -10.2516 -10.2280 -10.2279 -5.6490 -5.6490 -5.6479 -5.6466 -3.1154 -3.1154 -3.1143 -3.1143 -3.1031 -3.1002 3.2115 3.2115 6.1926 6.2836 6.4149 6.4149 7.0629 7.0629 7.4685 7.4685 7.7384 7.8850 8.1558 8.1558 11.1068 11.1068 11.6776 11.7274 13.1949 13.1949 14.5894 14.5894 14.6810 14.7662 15.1309 15.1309 k = 0.4268 0.2464 0.1743 ( 2815 PWs) bands (ev): -30.6387 -30.6387 -11.6651 -11.6651 -10.2522 -10.2522 -10.2282 -10.2281 -5.6487 -5.6487 -5.6476 -5.6465 -3.1151 -3.1151 -3.1141 -3.1141 -3.1024 -3.0998 3.2385 3.2385 6.1981 6.2771 6.4368 6.4368 7.0427 7.0427 7.4493 7.4493 7.7493 7.8768 8.1141 8.1142 11.0920 11.0920 11.6623 11.7060 13.2144 13.2144 14.6145 14.6145 14.7168 14.7916 15.0659 15.0659 k = 0.4390 0.2535 0.1792 ( 2803 PWs) bands (ev): -30.6387 -30.6387 -11.6653 -11.6653 -10.2527 -10.2527 -10.2283 -10.2282 -5.6485 -5.6485 -5.6473 -5.6463 -3.1148 -3.1148 -3.1140 -3.1140 -3.1017 -3.0995 3.2620 3.2620 6.2039 6.2704 6.4589 6.4589 7.0209 7.0209 7.4325 7.4325 7.7605 7.8680 8.0800 8.0800 11.0794 11.0794 11.6500 11.6871 13.2325 13.2325 14.6353 14.6353 14.7496 14.8133 15.0107 15.0107 k = 0.4512 0.2605 0.1842 ( 2803 PWs) bands (ev): -30.6386 -30.6386 -11.6654 -11.6654 -10.2532 -10.2532 -10.2284 -10.2284 -5.6484 -5.6484 -5.6470 -5.6462 -3.1146 -3.1146 -3.1138 -3.1138 -3.1011 -3.0994 3.2816 3.2816 6.2099 6.2636 6.4805 6.4805 6.9985 6.9985 7.4186 7.4186 7.7718 7.8587 8.0529 8.0529 11.0691 11.0691 11.6406 11.6707 13.2486 13.2486 14.6512 14.6512 14.7787 14.8307 14.9661 14.9661 k = 0.4634 0.2676 0.1892 ( 2806 PWs) bands (ev): -30.6386 -30.6386 -11.6656 -11.6656 -10.2535 -10.2535 -10.2285 -10.2285 -5.6482 -5.6482 -5.6467 -5.6462 -3.1144 -3.1144 -3.1138 -3.1138 -3.1006 -3.0993 3.2970 3.2970 6.2162 6.2568 6.5001 6.5001 6.9774 6.9774 7.4077 7.4077 7.7831 7.8488 8.0324 8.0324 11.0610 11.0610 11.6342 11.6570 13.2619 13.2619 14.6618 14.6618 14.8036 14.8433 14.9326 14.9326 k = 0.4756 0.2746 0.1942 ( 2806 PWs) bands (ev): -30.6386 -30.6386 -11.6657 -11.6657 -10.2538 -10.2538 -10.2286 -10.2285 -5.6481 -5.6481 -5.6466 -5.6462 -3.1142 -3.1142 -3.1137 -3.1137 -3.1001 -3.0993 3.3082 3.3082 6.2227 6.2499 6.5162 6.5162 6.9597 6.9597 7.4001 7.4001 7.7945 7.8385 8.0181 8.0181 11.0553 11.0553 11.6307 11.6461 13.2720 13.2720 14.6678 14.6678 14.8239 14.8506 14.9102 14.9102 k = 0.4878 0.2816 0.1991 ( 2794 PWs) bands (ev): -30.6386 -30.6386 -11.6657 -11.6657 -10.2539 -10.2539 -10.2286 -10.2286 -5.6481 -5.6481 -5.6464 -5.6462 -3.1141 -3.1141 -3.1137 -3.1137 -3.0998 -3.0993 3.3150 3.3150 6.2294 6.2430 6.5270 6.5270 6.9478 6.9478 7.3955 7.3955 7.8058 7.8279 8.0097 8.0097 11.0519 11.0519 11.6302 11.6379 13.2782 13.2782 14.6704 14.6704 14.8389 14.8524 14.8976 14.8976 k = 0.5000 0.2887 0.2041 ( 2788 PWs) bands (ev): -30.6386 -30.6386 -11.6657 -11.6657 -10.2539 -10.2539 -10.2286 -10.2286 -5.6480 -5.6480 -5.6463 -5.6463 -3.1141 -3.1141 -3.1137 -3.1137 -3.0995 -3.0995 3.3172 3.3172 6.2361 6.2361 6.5308 6.5308 6.9436 6.9436 7.3940 7.3940 7.8170 7.8170 8.0069 8.0069 11.0507 11.0507 11.6326 11.6326 13.2803 13.2803 14.6710 14.6710 14.8485 14.8485 14.8936 14.8936 k = 0.5000 0.2887 0.2041 ( 2788 PWs) bands (ev): -30.6386 -30.6386 -11.6657 -11.6657 -10.2539 -10.2539 -10.2286 -10.2286 -5.6480 -5.6480 -5.6463 -5.6463 -3.1141 -3.1141 -3.1137 -3.1137 -3.0995 -3.0995 3.3172 3.3172 6.2361 6.2361 6.5308 6.5308 6.9436 6.9436 7.3940 7.3940 7.8170 7.8170 8.0069 8.0069 11.0507 11.0507 11.6326 11.6326 13.2803 13.2803 14.6710 14.6710 14.8485 14.8485 14.8936 14.8936 k = 0.5043 0.2762 0.2112 ( 2796 PWs) bands (ev): -30.6386 -30.6386 -11.6659 -11.6656 -10.2541 -10.2538 -10.2286 -10.2286 -5.6481 -5.6481 -5.6463 -5.6463 -3.1141 -3.1140 -3.1138 -3.1136 -3.0996 -3.0996 3.3172 3.3177 6.2361 6.2361 6.5304 6.5308 6.9426 6.9467 7.3877 7.4008 7.8177 7.8178 8.0023 8.0121 11.0392 11.0555 11.6274 11.6276 13.2767 13.2987 14.6688 14.6741 14.8485 14.8490 14.8932 14.8936 k = 0.5086 0.2638 0.2182 ( 2800 PWs) bands (ev): -30.6386 -30.6386 -11.6661 -11.6654 -10.2541 -10.2536 -10.2287 -10.2287 -5.6481 -5.6481 -5.6463 -5.6463 -3.1142 -3.1140 -3.1138 -3.1135 -3.0996 -3.0996 3.3176 3.3186 6.2359 6.2360 6.5298 6.5303 6.9435 6.9519 7.3821 7.4081 7.8201 7.8202 7.9982 8.0179 11.0207 11.0535 11.6121 11.6133 13.2876 13.3310 14.6674 14.6779 14.8474 14.8511 14.8913 14.8951 k = 0.5129 0.2513 0.2252 ( 2804 PWs) bands (ev): -30.6386 -30.6386 -11.6662 -11.6652 -10.2542 -10.2534 -10.2288 -10.2288 -5.6482 -5.6482 -5.6463 -5.6463 -3.1143 -3.1141 -3.1139 -3.1134 -3.0998 -3.0998 3.3185 3.3200 6.2356 6.2360 6.5292 6.5292 6.9463 6.9593 7.3770 7.4159 7.8239 7.8243 7.9947 8.0244 10.9950 11.0444 11.5879 11.5916 13.3117 13.3756 14.6663 14.6818 14.8437 14.8557 14.8875 14.9005 k = 0.5172 0.2389 0.2323 ( 2804 PWs) bands (ev): -30.6386 -30.6386 -11.6664 -11.6651 -10.2542 -10.2532 -10.2289 -10.2289 -5.6483 -5.6483 -5.6464 -5.6464 -3.1144 -3.1142 -3.1138 -3.1133 -3.1000 -3.0999 3.3199 3.3217 6.2351 6.2360 6.5275 6.5288 6.9507 6.9687 7.3725 7.4241 7.8291 7.8300 7.9918 8.0317 10.9620 11.0278 11.5570 11.5648 13.3468 13.4303 14.6649 14.6852 14.8375 14.8634 14.8823 14.9111 k = 0.5216 0.2265 0.2393 ( 2805 PWs) bands (ev): -30.6386 -30.6385 -11.6666 -11.6649 -10.2542 -10.2529 -10.2291 -10.2290 -5.6485 -5.6485 -5.6465 -5.6464 -3.1146 -3.1144 -3.1138 -3.1132 -3.1002 -3.1001 3.3216 3.3239 6.2344 6.2363 6.5253 6.5288 6.9565 6.9800 7.3686 7.4327 7.8356 7.8373 7.9894 8.0397 10.9215 11.0032 11.5221 11.5351 13.3901 13.4924 14.6622 14.6869 14.8301 14.8691 14.8819 14.9271 k = 0.5259 0.2140 0.2464 ( 2809 PWs) bands (ev): -30.6386 -30.6385 -11.6667 -11.6648 -10.2542 -10.2526 -10.2293 -10.2292 -5.6487 -5.6486 -5.6466 -5.6464 -3.1148 -3.1145 -3.1137 -3.1132 -3.1006 -3.1004 3.3238 3.3264 6.2335 6.2368 6.5225 6.5293 6.9636 6.9930 7.3653 7.4414 7.8433 7.8461 7.9876 8.0487 10.8738 10.9703 11.4857 11.5045 13.4386 13.5595 14.6573 14.6860 14.8231 14.8628 14.8978 14.9488 k = 0.5302 0.2016 0.2534 ( 2807 PWs) bands (ev): -30.6386 -30.6385 -11.6669 -11.6646 -10.2541 -10.2523 -10.2295 -10.2294 -5.6490 -5.6488 -5.6467 -5.6465 -3.1150 -3.1147 -3.1136 -3.1131 -3.1009 -3.1006 3.3264 3.3293 6.2326 6.2375 6.5193 6.5305 6.9717 7.0074 7.3626 7.4504 7.8520 7.8561 7.9866 8.0586 10.8194 10.9287 11.4502 11.4743 13.4894 13.6290 14.6497 14.6819 14.8179 14.8542 14.9216 14.9765 k = 0.5345 0.1891 0.2604 ( 2809 PWs) bands (ev): -30.6386 -30.6385 -11.6670 -11.6645 -10.2540 -10.2519 -10.2298 -10.2296 -5.6492 -5.6490 -5.6468 -5.6466 -3.1153 -3.1149 -3.1135 -3.1131 -3.1013 -3.1009 3.3294 3.3324 6.2315 6.2387 6.5157 6.5326 6.9807 7.0229 7.3606 7.4593 7.8616 7.8671 7.9865 8.0695 10.7590 10.8791 11.4169 11.4454 13.5395 13.6985 14.6395 14.6740 14.8150 14.8460 14.9516 15.0105 k = 0.5388 0.1767 0.2675 ( 2809 PWs) bands (ev): -30.6386 -30.6384 -11.6672 -11.6643 -10.2538 -10.2515 -10.2301 -10.2299 -5.6495 -5.6492 -5.6470 -5.6466 -3.1155 -3.1152 -3.1134 -3.1131 -3.1018 -3.1011 3.3326 3.3359 6.2304 6.2403 6.5119 6.5356 6.9903 7.0393 7.3592 7.4683 7.8718 7.8786 7.9879 8.0815 10.6938 10.8223 11.3867 11.4182 13.5862 13.7656 14.6279 14.6627 14.8145 14.8392 14.9876 15.0511 k = 0.5431 0.1642 0.2745 ( 2809 PWs) bands (ev): -30.6386 -30.6384 -11.6673 -11.6642 -10.2537 -10.2511 -10.2304 -10.2302 -5.6499 -5.6495 -5.6471 -5.6467 -3.1159 -3.1154 -3.1133 -3.1132 -3.1023 -3.1013 3.3362 3.3395 6.2292 6.2424 6.5079 6.5397 7.0005 7.0561 7.3587 7.4772 7.8825 7.8897 7.9911 8.0945 10.6248 10.7598 11.3595 11.3928 13.6267 13.8278 14.6165 14.6489 14.8160 14.8345 15.0292 15.0983 k = 0.5474 0.1518 0.2816 ( 2809 PWs) bands (ev): -30.6386 -30.6384 -11.6674 -11.6641 -10.2535 -10.2506 -10.2308 -10.2305 -5.6502 -5.6497 -5.6473 -5.6469 -3.1162 -3.1157 -3.1133 -3.1131 -3.1028 -3.1015 3.3401 3.3434 6.2281 6.2450 6.5039 6.5449 7.0111 7.0731 7.3590 7.4859 7.8935 7.8996 7.9969 8.1087 10.5534 10.6931 11.3352 11.3692 13.6588 13.8826 14.6071 14.6345 14.8193 14.8320 15.0759 15.1515 k = 0.5517 0.1394 0.2886 ( 2801 PWs) bands (ev): -30.6385 -30.6384 -11.6675 -11.6640 -10.2533 -10.2502 -10.2312 -10.2307 -5.6505 -5.6499 -5.6475 -5.6470 -3.1166 -3.1160 -3.1134 -3.1129 -3.1034 -3.1017 3.3442 3.3474 6.2269 6.2483 6.5000 6.5512 7.0220 7.0898 7.3604 7.4944 7.9045 7.9074 8.0058 8.1239 10.4808 10.6238 11.3132 11.3472 13.6808 13.9275 14.6016 14.6216 14.8238 14.8316 15.1268 15.2102 k = 0.5560 0.1269 0.2956 ( 2799 PWs) bands (ev): -30.6385 -30.6383 -11.6676 -11.6639 -10.2531 -10.2497 -10.2316 -10.2310 -5.6509 -5.6502 -5.6477 -5.6471 -3.1170 -3.1162 -3.1136 -3.1128 -3.1040 -3.1018 3.3484 3.3516 6.2258 6.2521 6.4961 6.5586 7.0331 7.1059 7.3630 7.5027 7.9126 7.9153 8.0181 8.1400 10.4079 10.5535 11.2932 11.3266 13.6914 13.9599 14.6013 14.6129 14.8295 14.8335 15.1809 15.2731 k = 0.5603 0.1145 0.3027 ( 2792 PWs) bands (ev): -30.6385 -30.6383 -11.6677 -11.6637 -10.2529 -10.2492 -10.2320 -10.2313 -5.6513 -5.6504 -5.6479 -5.6473 -3.1174 -3.1165 -3.1139 -3.1126 -3.1045 -3.1019 3.3528 3.3558 6.2248 6.2565 6.4924 6.5673 7.0443 7.1210 7.3670 7.5107 7.9153 7.9258 8.0333 8.1567 10.3359 10.4834 11.2747 11.3073 13.6905 13.9781 14.6068 14.6107 14.8360 14.8373 15.2370 15.3386 k = 0.5647 0.1020 0.3097 ( 2792 PWs) bands (ev): -30.6385 -30.6383 -11.6678 -11.6637 -10.2527 -10.2487 -10.2324 -10.2316 -5.6516 -5.6507 -5.6481 -5.6475 -3.1178 -3.1168 -3.1142 -3.1125 -3.1051 -3.1019 3.3573 3.3600 6.2238 6.2616 6.4889 6.5770 7.0555 7.1347 7.3727 7.5185 7.9160 7.9359 8.0504 8.1738 10.2658 10.4148 11.2576 11.2893 13.6786 13.9810 14.6163 14.6182 14.8432 14.8434 15.2933 15.4047 k = 0.5690 0.0896 0.3167 ( 2792 PWs) bands (ev): -30.6385 -30.6383 -11.6679 -11.6636 -10.2524 -10.2482 -10.2329 -10.2319 -5.6520 -5.6509 -5.6484 -5.6477 -3.1183 -3.1171 -3.1146 -3.1124 -3.1056 -3.1019 3.3618 3.3642 6.2228 6.2673 6.4856 6.5879 7.0665 7.1468 7.3803 7.5261 7.9150 7.9453 8.0686 8.1908 10.1985 10.3489 11.2415 11.2725 13.6569 13.9696 14.6296 14.6351 14.8511 14.8516 15.3480 15.4688 k = 0.5733 0.0771 0.3238 ( 2796 PWs) bands (ev): -30.6385 -30.6382 -11.6680 -11.6635 -10.2522 -10.2476 -10.2334 -10.2322 -5.6523 -5.6512 -5.6486 -5.6479 -3.1188 -3.1174 -3.1151 -3.1124 -3.1061 -3.1018 3.3663 3.3683 6.2219 6.2735 6.4825 6.5999 7.0773 7.1569 7.3898 7.5336 7.9128 7.9540 8.0870 8.2073 10.1350 10.2866 11.2265 11.2569 13.6269 13.9459 14.6494 14.6567 14.8605 14.8612 15.3989 15.5274 k = 0.5776 0.0647 0.3308 ( 2790 PWs) bands (ev): -30.6384 -30.6382 -11.6681 -11.6634 -10.2520 -10.2471 -10.2339 -10.2325 -5.6527 -5.6515 -5.6488 -5.6481 -3.1192 -3.1177 -3.1155 -3.1124 -3.1065 -3.1017 3.3707 3.3723 6.2210 6.2803 6.4797 6.6128 7.0878 7.1651 7.4013 7.5409 7.9096 7.9619 8.1049 8.2226 10.0763 10.2289 11.2124 11.2425 13.5904 13.9125 14.6737 14.6819 14.8702 14.8736 15.4436 15.5769 k = 0.5819 0.0523 0.3379 ( 2802 PWs) bands (ev): -30.6384 -30.6382 -11.6681 -11.6634 -10.2518 -10.2466 -10.2344 -10.2327 -5.6530 -5.6517 -5.6490 -5.6484 -3.1197 -3.1180 -3.1161 -3.1125 -3.1069 -3.1016 3.3750 3.3761 6.2200 6.2877 6.4770 6.6265 7.0979 7.1711 7.4148 7.5481 7.9056 7.9691 8.1216 8.2361 10.0232 10.1767 11.1992 11.2292 13.5489 13.8719 14.7005 14.7099 14.8805 14.8885 15.4797 15.6133 k = 0.5862 0.0398 0.3449 ( 2797 PWs) bands (ev): -30.6384 -30.6382 -11.6682 -11.6633 -10.2516 -10.2461 -10.2349 -10.2329 -5.6533 -5.6520 -5.6492 -5.6486 -3.1202 -3.1183 -3.1166 -3.1127 -3.1071 -3.1014 3.3791 3.3798 6.2191 6.2954 6.4746 6.6408 7.1075 7.1753 7.4300 7.5553 7.9009 7.9754 8.1365 8.2474 9.9765 10.1308 11.1869 11.2172 13.5040 13.8264 14.7283 14.7398 14.8915 14.9060 15.5052 15.6343 k = 0.5905 0.0274 0.3519 ( 2794 PWs) bands (ev): -30.6384 -30.6381 -11.6682 -11.6633 -10.2514 -10.2456 -10.2353 -10.2331 -5.6536 -5.6523 -5.6494 -5.6489 -3.1206 -3.1186 -3.1171 -3.1130 -3.1071 -3.1013 3.3829 3.3831 6.2181 6.3035 6.4723 6.6556 7.1164 7.1777 7.4466 7.5625 7.8957 7.9809 8.1492 8.2557 9.9373 10.0919 11.1755 11.2065 13.4569 13.7777 14.7557 14.7710 14.9031 14.9262 15.5190 15.6403 k = 0.5948 0.0149 0.3590 ( 2796 PWs) bands (ev): -30.6384 -30.6381 -11.6682 -11.6632 -10.2513 -10.2451 -10.2358 -10.2332 -5.6538 -5.6526 -5.6496 -5.6492 -3.1210 -3.1189 -3.1177 -3.1135 -3.1071 -3.1011 3.3862 3.3864 6.2170 6.3119 6.4702 6.6705 7.1245 7.1785 7.4645 7.5697 7.8900 7.9856 8.1594 8.2606 9.9059 10.0606 11.1651 11.1972 13.4087 13.7274 14.7820 14.8027 14.9151 14.9490 15.5217 15.6347 k = 0.5991 0.0025 0.3660 ( 2802 PWs) bands (ev): -30.6383 -30.6381 -11.6682 -11.6632 -10.2512 -10.2446 -10.2362 -10.2334 -5.6540 -5.6529 -5.6498 -5.6495 -3.1214 -3.1192 -3.1182 -3.1139 -3.1070 -3.1009 3.3889 3.3895 6.2159 6.3205 6.4682 6.6853 7.1318 7.1780 7.4831 7.5771 7.8842 7.9894 8.1669 8.2620 9.8831 10.0374 11.1555 11.1892 13.3602 13.6764 14.8066 14.8343 14.9275 14.9739 15.5151 15.6222 k = 0.6034-0.0100 0.3731 ( 2802 PWs) bands (ev): -30.6383 -30.6381 -11.6682 -11.6632 -10.2510 -10.2442 -10.2365 -10.2334 -5.6542 -5.6532 -5.6499 -5.6498 -3.1218 -3.1195 -3.1188 -3.1144 -3.1069 -3.1008 3.3911 3.3922 6.2148 6.3291 6.4662 6.6994 7.1382 7.1762 7.5023 7.5846 7.8783 7.9923 8.1717 8.2598 9.8691 10.0224 11.1470 11.1826 13.3121 13.6258 14.8295 14.8652 14.9402 15.0000 15.5024 15.6066 k = 0.6078-0.0224 0.3801 ( 2806 PWs) bands (ev): -30.6383 -30.6381 -11.6682 -11.6632 -10.2509 -10.2439 -10.2368 -10.2335 -5.6544 -5.6535 -5.6501 -5.6500 -3.1222 -3.1199 -3.1193 -3.1148 -3.1067 -3.1006 3.3929 3.3944 6.2136 6.3377 6.4642 6.7125 7.1436 7.1733 7.5217 7.5922 7.8728 7.9945 8.1739 8.2543 9.8638 10.0158 11.1394 11.1775 13.2651 13.5761 14.8507 14.8944 14.9530 15.0265 15.4868 15.5909 k = 0.6121-0.0348 0.3871 ( 2808 PWs) bands (ev): -30.6383 -30.6381 -11.6682 -11.6632 -10.2509 -10.2437 -10.2370 -10.2334 -5.6545 -5.6538 -5.6505 -5.6501 -3.1225 -3.1203 -3.1199 -3.1152 -3.1065 -3.1005 3.3941 3.3959 6.2123 6.3460 6.4622 6.7239 7.1479 7.1694 7.5410 7.5999 7.8678 7.9959 8.1740 8.2461 9.8670 10.0174 11.1329 11.1738 13.2196 13.5279 14.8702 14.9211 14.9660 15.0519 15.4712 15.5770 k = 0.6164-0.0473 0.3942 ( 2802 PWs) bands (ev): -30.6383 -30.6380 -11.6681 -11.6632 -10.2508 -10.2435 -10.2370 -10.2334 -5.6546 -5.6541 -5.6508 -5.6502 -3.1228 -3.1207 -3.1204 -3.1156 -3.1063 -3.1004 3.3946 3.3968 6.2110 6.3540 6.4600 6.7332 7.1513 7.1645 7.5597 7.6077 7.8639 7.9966 8.1724 8.2362 9.8784 10.0268 11.1275 11.1717 13.1760 13.4816 14.8878 14.9437 14.9796 15.0747 15.4581 15.5654 k = 0.6207-0.0597 0.4012 ( 2804 PWs) bands (ev): -30.6383 -30.6380 -11.6681 -11.6632 -10.2508 -10.2434 -10.2370 -10.2333 -5.6547 -5.6544 -5.6511 -5.6502 -3.1231 -3.1212 -3.1208 -3.1159 -3.1060 -3.1003 3.3945 3.3969 6.2096 6.3615 6.4576 6.7398 7.1538 7.1588 7.5776 7.6154 7.8615 7.9964 8.1697 8.2257 9.8971 10.0437 11.1231 11.1711 13.1347 13.4376 14.9032 14.9604 14.9942 15.0934 15.4496 15.5226 k = 0.6250-0.0722 0.4082 ( 2810 PWs) bands (ev): -30.6383 -30.6380 -11.6680 -11.6632 -10.2508 -10.2435 -10.2369 -10.2331 -5.6548 -5.6547 -5.6515 -5.6502 -3.1234 -3.1217 -3.1212 -3.1161 -3.1058 -3.1003 3.3936 3.3961 6.2081 6.3683 6.4549 6.7430 7.1524 7.1555 7.5941 7.6231 7.8610 7.9955 8.1665 8.2159 9.9226 10.0674 11.1198 11.1720 13.0958 13.3960 14.9158 14.9709 15.0091 15.1067 15.4464 15.4736 k = 0.6250-0.0722 0.4082 ( 2810 PWs) bands (ev): -30.6383 -30.6380 -11.6680 -11.6632 -10.2508 -10.2435 -10.2369 -10.2331 -5.6548 -5.6547 -5.6515 -5.6502 -3.1234 -3.1217 -3.1212 -3.1161 -3.1058 -3.1003 3.3936 3.3961 6.2081 6.3683 6.4549 6.7430 7.1524 7.1555 7.5941 7.6231 7.8610 7.9955 8.1665 8.2159 9.9226 10.0674 11.1198 11.1720 13.0958 13.3960 14.9158 14.9709 15.0091 15.1067 15.4464 15.4736 k = 0.6176-0.0679 0.4203 ( 2804 PWs) bands (ev): -30.6383 -30.6380 -11.6680 -11.6632 -10.2507 -10.2435 -10.2369 -10.2332 -5.6550 -5.6545 -5.6515 -5.6502 -3.1235 -3.1219 -3.1209 -3.1160 -3.1058 -3.1003 3.3937 3.3963 6.2080 6.3683 6.4550 6.7433 7.1521 7.1563 7.5856 7.6322 7.8611 7.9955 8.1667 8.2163 9.9202 10.0678 11.1115 11.1726 13.1018 13.4015 14.9070 14.9649 15.0128 15.1087 15.4231 15.4579 k = 0.6103-0.0637 0.4323 ( 2810 PWs) bands (ev): -30.6383 -30.6380 -11.6680 -11.6632 -10.2507 -10.2434 -10.2369 -10.2332 -5.6552 -5.6543 -5.6515 -5.6502 -3.1237 -3.1222 -3.1205 -3.1159 -3.1059 -3.1003 3.3940 3.3967 6.2077 6.3684 6.4553 6.7442 7.1520 7.1582 7.5707 7.6489 7.8615 7.9953 8.1673 8.2177 9.9133 10.0690 11.0899 11.1715 13.1196 13.4177 14.8846 14.9480 15.0202 15.1132 15.3778 15.4219 k = 0.6029-0.0594 0.4443 ( 2812 PWs) bands (ev): -30.6383 -30.6380 -11.6681 -11.6632 -10.2506 -10.2434 -10.2370 -10.2334 -5.6554 -5.6541 -5.6515 -5.6502 -3.1240 -3.1224 -3.1200 -3.1156 -3.1059 -3.1004 3.3945 3.3974 6.2072 6.3684 6.4559 6.7458 7.1524 7.1606 7.5556 7.6669 7.8623 7.9951 8.1683 8.2199 9.9024 10.0705 11.0596 11.1658 13.1486 13.4440 14.8537 14.9231 15.0257 15.1168 15.3287 15.3778 k = 0.5956-0.0552 0.4563 ( 2814 PWs) bands (ev): -30.6383 -30.6380 -11.6681 -11.6632 -10.2506 -10.2432 -10.2371 -10.2335 -5.6556 -5.6538 -5.6514 -5.6502 -3.1244 -3.1227 -3.1194 -3.1153 -3.1060 -3.1005 3.3951 3.3983 6.2065 6.3685 6.4567 6.7479 7.1535 7.1633 7.5413 7.6847 7.8635 7.9948 8.1697 8.2229 9.8879 10.0716 11.0234 11.1547 13.1878 13.4794 14.8174 14.8928 15.0255 15.1156 15.2830 15.3327 k = 0.5882-0.0509 0.4683 ( 2811 PWs) bands (ev): -30.6383 -30.6380 -11.6681 -11.6632 -10.2505 -10.2431 -10.2373 -10.2337 -5.6559 -5.6536 -5.6514 -5.6502 -3.1248 -3.1229 -3.1188 -3.1149 -3.1062 -3.1007 3.3960 3.3994 6.2057 6.3684 6.4578 6.7507 7.1553 7.1661 7.5283 7.7016 7.8654 7.9945 8.1715 8.2266 9.8705 10.0718 10.9833 11.1388 13.2361 13.5226 14.7770 14.8591 15.0171 15.1054 15.2459 15.2920 k = 0.5809-0.0467 0.4803 ( 2811 PWs) bands (ev): -30.6383 -30.6380 -11.6682 -11.6631 -10.2503 -10.2429 -10.2374 -10.2340 -5.6561 -5.6534 -5.6514 -5.6501 -3.1252 -3.1230 -3.1182 -3.1145 -3.1063 -3.1008 3.3969 3.4007 6.2049 6.3682 6.4592 6.7539 7.1578 7.1689 7.5168 7.7169 7.8683 7.9942 8.1738 8.2310 9.8506 10.0705 10.9413 11.1192 13.2921 13.5722 14.7334 14.8235 14.9994 15.0827 15.2210 15.2591 k = 0.5735-0.0425 0.4923 ( 2808 PWs) bands (ev): -30.6383 -30.6380 -11.6682 -11.6631 -10.2502 -10.2427 -10.2376 -10.2343 -5.6562 -5.6533 -5.6514 -5.6501 -3.1255 -3.1232 -3.1177 -3.1141 -3.1065 -3.1010 3.3981 3.4022 6.2040 6.3679 6.4608 6.7577 7.1609 7.1715 7.5069 7.7302 7.8721 7.9939 8.1766 8.2358 9.8290 10.0674 10.8990 11.0970 13.3546 13.6267 14.6871 14.7872 14.9734 15.0488 15.2068 15.2352 k = 0.5662-0.0382 0.5043 ( 2800 PWs) bands (ev): -30.6383 -30.6380 -11.6683 -11.6631 -10.2500 -10.2425 -10.2378 -10.2346 -5.6564 -5.6531 -5.6514 -5.6501 -3.1259 -3.1234 -3.1171 -3.1136 -3.1067 -3.1012 3.3993 3.4038 6.2032 6.3673 6.4626 6.7620 7.1645 7.1738 7.4985 7.7410 7.8770 7.9938 8.1799 8.2408 9.8060 10.0621 10.8581 11.0737 13.4221 13.6846 14.6383 14.7516 14.9422 15.0083 15.1984 15.2187 k = 0.5588-0.0340 0.5163 ( 2796 PWs) bands (ev): -30.6383 -30.6380 -11.6683 -11.6631 -10.2499 -10.2422 -10.2380 -10.2350 -5.6566 -5.6529 -5.6513 -5.6501 -3.1262 -3.1235 -3.1164 -3.1132 -3.1070 -3.1015 3.4007 3.4054 6.2025 6.3666 6.4647 6.7666 7.1684 7.1758 7.4916 7.7492 7.8828 7.9939 8.1835 8.2459 9.7824 10.0545 10.8198 11.0504 13.4933 13.7442 14.5873 14.7177 14.9091 14.9651 15.1925 15.2072 k = 0.5515-0.0297 0.5283 ( 2796 PWs) bands (ev): -30.6383 -30.6380 -11.6684 -11.6631 -10.2497 -10.2419 -10.2382 -10.2354 -5.6567 -5.6527 -5.6513 -5.6501 -3.1265 -3.1236 -3.1159 -3.1128 -3.1072 -3.1017 3.4021 3.4071 6.2020 6.3657 6.4668 6.7715 7.1725 7.1776 7.4863 7.7550 7.8890 7.9942 8.1876 8.2509 9.7588 10.0447 10.7855 11.0280 13.5670 13.8039 14.5341 14.6867 14.8768 14.9218 15.1872 15.1985 k = 0.5441-0.0255 0.5403 ( 2799 PWs) bands (ev): -30.6383 -30.6380 -11.6684 -11.6631 -10.2495 -10.2416 -10.2384 -10.2358 -5.6569 -5.6526 -5.6513 -5.6501 -3.1268 -3.1237 -3.1153 -3.1124 -3.1075 -3.1019 3.4035 3.4088 6.2015 6.3647 6.4689 6.7765 7.1763 7.1792 7.4823 7.7586 7.8952 7.9948 8.1919 8.2553 9.7359 10.0331 10.7557 11.0074 13.6420 13.8618 14.4792 14.6593 14.8470 14.8799 15.1818 15.1914 k = 0.5368-0.0212 0.5523 ( 2793 PWs) bands (ev): -30.6383 -30.6380 -11.6685 -11.6630 -10.2494 -10.2413 -10.2386 -10.2363 -5.6570 -5.6525 -5.6512 -5.6501 -3.1270 -3.1237 -3.1147 -3.1121 -3.1078 -3.1021 3.4048 3.4104 6.2012 6.3637 6.4710 6.7815 7.1790 7.1816 7.4794 7.7606 7.9007 7.9956 8.1964 8.2591 9.7145 10.0202 10.7311 10.9892 13.7169 13.9162 14.4229 14.6364 14.8205 14.8412 15.1761 15.1852 k = 0.5294-0.0170 0.5643 ( 2793 PWs) bands (ev): -30.6382 -30.6380 -11.6685 -11.6630 -10.2492 -10.2409 -10.2387 -10.2367 -5.6571 -5.6524 -5.6512 -5.6502 -3.1271 -3.1238 -3.1142 -3.1118 -3.1081 -3.1023 3.4061 3.4119 6.2010 6.3627 6.4729 6.7862 7.1804 7.1846 7.4775 7.7614 7.9053 7.9966 8.2006 8.2621 9.6956 10.0072 10.7117 10.9739 13.7904 13.9647 14.3661 14.6182 14.7959 14.8091 15.1705 15.1797 k = 0.5221-0.0127 0.5764 ( 2785 PWs) bands (ev): -30.6382 -30.6380 -11.6685 -11.6630 -10.2491 -10.2405 -10.2389 -10.2372 -5.6571 -5.6523 -5.6511 -5.6502 -3.1273 -3.1238 -3.1137 -3.1115 -3.1084 -3.1024 3.4072 3.4131 6.2009 6.3619 6.4745 6.7904 7.1814 7.1871 7.4764 7.7614 7.9088 7.9976 8.2045 8.2641 9.6797 9.9950 10.6974 10.9618 13.8605 14.0049 14.3100 14.6052 14.7702 14.7885 15.1653 15.1747 k = 0.5147-0.0085 0.5884 ( 2786 PWs) bands (ev): -30.6382 -30.6380 -11.6685 -11.6630 -10.2490 -10.2402 -10.2390 -10.2376 -5.6572 -5.6522 -5.6510 -5.6503 -3.1274 -3.1238 -3.1134 -3.1113 -3.1087 -3.1025 3.4080 3.4141 6.2009 6.3613 6.4757 6.7939 7.1825 7.1888 7.4759 7.7610 7.9112 7.9984 8.2076 8.2651 9.6677 9.9849 10.6877 10.9530 13.9241 14.0348 14.2572 14.5970 14.7484 14.7762 15.1611 15.1704 k = 0.5074-0.0042 0.6004 ( 2780 PWs) bands (ev): -30.6382 -30.6380 -11.6686 -11.6630 -10.2490 -10.2398 -10.2391 -10.2379 -5.6572 -5.6522 -5.6509 -5.6503 -3.1274 -3.1238 -3.1131 -3.1112 -3.1089 -3.1026 3.4086 3.4148 6.2010 6.3609 6.4765 6.7962 7.1835 7.1895 7.4757 7.7606 7.9125 7.9990 8.2096 8.2655 9.6602 9.9781 10.6823 10.9478 13.9741 14.0529 14.2142 14.5927 14.7347 14.7695 15.1583 15.1672 k = 0.5000-0.0000 0.6124 ( 2780 PWs) bands (ev): -30.6382 -30.6380 -11.6686 -11.6630 -10.2489 -10.2396 -10.2392 -10.2381 -5.6572 -5.6522 -5.6509 -5.6503 -3.1275 -3.1238 -3.1130 -3.1112 -3.1090 -3.1026 3.4088 3.4150 6.2010 6.3607 6.4768 6.7971 7.1841 7.1895 7.4756 7.7604 7.9129 7.9992 8.2103 8.2655 9.6576 9.9757 10.6806 10.9460 13.9947 14.0590 14.1958 14.5915 14.7302 14.7675 15.1574 15.1658 k = 0.5000-0.0000 0.6124 ( 2780 PWs) bands (ev): -30.6382 -30.6380 -11.6686 -11.6630 -10.2489 -10.2396 -10.2392 -10.2381 -5.6572 -5.6522 -5.6509 -5.6503 -3.1275 -3.1238 -3.1130 -3.1112 -3.1090 -3.1026 3.4088 3.4150 6.2010 6.3607 6.4768 6.7971 7.1841 7.1895 7.4756 7.7604 7.9129 7.9992 8.2103 8.2655 9.6576 9.9757 10.6806 10.9460 13.9947 14.0590 14.1958 14.5915 14.7302 14.7675 15.1574 15.1658 k = 0.5000 0.0085 0.6004 ( 2780 PWs) bands (ev): -30.6382 -30.6380 -11.6686 -11.6630 -10.2490 -10.2399 -10.2390 -10.2380 -5.6572 -5.6522 -5.6509 -5.6503 -3.1274 -3.1238 -3.1130 -3.1112 -3.1089 -3.1026 3.4087 3.4148 6.2011 6.3602 6.4768 6.7958 7.1831 7.1903 7.4742 7.7606 7.9124 7.9987 8.2098 8.2669 9.6580 9.9763 10.6827 10.9483 13.9942 14.0598 14.1944 14.5842 14.7395 14.7720 15.1579 15.1680 k = 0.5000 0.0170 0.5884 ( 2788 PWs) bands (ev): -30.6382 -30.6380 -11.6686 -11.6630 -10.2490 -10.2403 -10.2386 -10.2379 -5.6571 -5.6522 -5.6509 -5.6503 -3.1273 -3.1237 -3.1130 -3.1112 -3.1089 -3.1026 3.4082 3.4142 6.2014 6.3588 6.4767 6.7920 7.1808 7.1921 7.4701 7.7612 7.9110 7.9970 8.2085 8.2708 9.6591 9.9783 10.6888 10.9550 13.9928 14.0622 14.1907 14.5666 14.7629 14.7852 15.1597 15.1740 k = 0.5000 0.0255 0.5764 ( 2788 PWs) bands (ev): -30.6383 -30.6380 -11.6686 -11.6630 -10.2491 -10.2407 -10.2383 -10.2377 -5.6570 -5.6522 -5.6508 -5.6502 -3.1271 -3.1236 -3.1131 -3.1112 -3.1088 -3.1026 3.4073 3.4132 6.2019 6.3565 6.4766 6.7859 7.1775 7.1944 7.4633 7.7620 7.9086 7.9946 8.2067 8.2765 9.6614 9.9817 10.6989 10.9659 13.9908 14.0658 14.1852 14.5443 14.7934 14.8072 15.1634 15.1836 k = 0.5000 0.0340 0.5643 ( 2790 PWs) bands (ev): -30.6383 -30.6380 -11.6686 -11.6630 -10.2492 -10.2412 -10.2380 -10.2375 -5.6569 -5.6522 -5.6507 -5.6501 -3.1269 -3.1234 -3.1131 -3.1112 -3.1088 -3.1027 3.4062 3.4118 6.2026 6.3533 6.4765 6.7776 7.1734 7.1973 7.4539 7.7626 7.9055 7.9915 8.2046 8.2829 9.6656 9.9868 10.7129 10.9805 13.9889 14.0704 14.1789 14.5205 14.8249 14.8385 15.1690 15.1967 k = 0.5000 0.0425 0.5523 ( 2786 PWs) bands (ev): -30.6383 -30.6380 -11.6685 -11.6630 -10.2493 -10.2416 -10.2377 -10.2372 -5.6567 -5.6521 -5.6506 -5.6500 -3.1266 -3.1231 -3.1131 -3.1112 -3.1086 -3.1027 3.4047 3.4100 6.2035 6.3493 6.4764 6.7674 7.1686 7.2008 7.4424 7.7626 7.9020 7.9880 8.2024 8.2892 9.6722 9.9939 10.7304 10.9984 13.9873 14.0755 14.1730 14.4965 14.8567 14.8758 15.1767 15.2138 k = 0.5000 0.0509 0.5403 ( 2790 PWs) bands (ev): -30.6383 -30.6380 -11.6685 -11.6630 -10.2495 -10.2421 -10.2374 -10.2368 -5.6565 -5.6521 -5.6505 -5.6499 -3.1262 -3.1228 -3.1131 -3.1112 -3.1085 -3.1028 3.4029 3.4078 6.2046 6.3445 6.4763 6.7555 7.1630 7.2047 7.4288 7.7614 7.8983 7.9844 8.1997 8.2945 9.6821 10.0033 10.7512 11.0189 13.9864 14.0806 14.1690 14.4726 14.8892 14.9142 15.1869 15.2355 k = 0.5000 0.0594 0.5283 ( 2790 PWs) bands (ev): -30.6383 -30.6380 -11.6685 -11.6631 -10.2497 -10.2426 -10.2371 -10.2364 -5.6563 -5.6521 -5.6504 -5.6497 -3.1258 -3.1225 -3.1132 -3.1112 -3.1083 -3.1029 3.4008 3.4053 6.2058 6.3391 6.4762 6.7423 7.1569 7.2091 7.4137 7.7584 7.8950 7.9807 8.1963 8.2983 9.6960 10.0155 10.7748 11.0415 13.9859 14.0849 14.1687 14.4490 14.9209 14.9508 15.2003 15.2626 k = 0.5000 0.0679 0.5163 ( 2790 PWs) bands (ev): -30.6383 -30.6380 -11.6685 -11.6631 -10.2499 -10.2431 -10.2368 -10.2361 -5.6560 -5.6520 -5.6502 -5.6496 -3.1253 -3.1221 -3.1132 -3.1112 -3.1082 -3.1029 3.3984 3.4025 6.2071 6.3331 6.4762 6.7280 7.1501 7.2139 7.3972 7.7531 7.8925 7.9771 8.1920 8.3000 9.7147 10.0309 10.8010 11.0655 13.9856 14.0885 14.1736 14.4257 14.9495 14.9831 15.2178 15.2955 k = 0.5000 0.0764 0.5043 ( 2792 PWs) bands (ev): -30.6383 -30.6380 -11.6685 -11.6631 -10.2501 -10.2436 -10.2364 -10.2357 -5.6557 -5.6519 -5.6500 -5.6494 -3.1248 -3.1216 -3.1132 -3.1113 -3.1080 -3.1030 3.3958 3.3993 6.2085 6.3266 6.4762 6.7130 7.1428 7.2188 7.3799 7.7451 7.8912 7.9734 8.1864 8.2993 9.7385 10.0500 10.8292 11.0906 13.9845 14.0922 14.1840 14.4025 14.9730 15.0091 15.2402 15.3337 k = 0.5000 0.0849 0.4923 ( 2790 PWs) bands (ev): -30.6383 -30.6381 -11.6684 -11.6631 -10.2503 -10.2441 -10.2360 -10.2353 -5.6554 -5.6518 -5.6499 -5.6492 -3.1242 -3.1212 -3.1133 -3.1113 -3.1077 -3.1031 3.3928 3.3959 6.2100 6.3197 6.4764 6.6976 7.1351 7.2237 7.3622 7.7345 7.8910 7.9698 8.1792 8.2958 9.7679 10.0732 10.8590 11.1161 13.9816 14.0977 14.1997 14.3794 14.9902 15.0276 15.2667 15.3755 k = 0.5000 0.0934 0.4803 ( 2790 PWs) bands (ev): -30.6384 -30.6381 -11.6684 -11.6632 -10.2506 -10.2446 -10.2356 -10.2349 -5.6551 -5.6517 -5.6497 -5.6490 -3.1236 -3.1207 -3.1133 -3.1113 -3.1075 -3.1031 3.3896 3.3923 6.2115 6.3126 6.4767 6.6821 7.1269 7.2281 7.3448 7.7214 7.8918 7.9661 8.1705 8.2896 9.8031 10.1008 10.8901 11.1418 13.9759 14.1067 14.2198 14.3563 15.0010 15.0389 15.2947 15.4174 k = 0.5000 0.1019 0.4683 ( 2790 PWs) bands (ev): -30.6384 -30.6381 -11.6683 -11.6632 -10.2508 -10.2451 -10.2352 -10.2345 -5.6547 -5.6516 -5.6495 -5.6488 -3.1230 -3.1202 -3.1134 -3.1113 -3.1072 -3.1032 3.3862 3.3884 6.2131 6.3054 6.4772 6.6667 7.1184 7.2311 7.3285 7.7063 7.8932 7.9624 8.1600 8.2807 9.8440 10.1329 10.9221 11.1672 13.9672 14.1199 14.2435 14.3335 15.0058 15.0442 15.3203 15.4542 k = 0.5000 0.1104 0.4563 ( 2794 PWs) bands (ev): -30.6384 -30.6381 -11.6683 -11.6632 -10.2511 -10.2457 -10.2348 -10.2341 -5.6543 -5.6515 -5.6493 -5.6486 -3.1223 -3.1197 -3.1134 -3.1113 -3.1069 -3.1032 3.3824 3.3844 6.2147 6.2981 6.4779 6.6516 7.1095 7.2315 7.3149 7.6895 7.8948 7.9588 8.1479 8.2694 9.8904 10.1696 10.9547 11.1921 13.9555 14.1368 14.2695 14.3121 15.0055 15.0445 15.3390 15.4801 k = 0.5000 0.1189 0.4443 ( 2790 PWs) bands (ev): -30.6384 -30.6382 -11.6682 -11.6633 -10.2514 -10.2462 -10.2343 -10.2337 -5.6539 -5.6513 -5.6491 -5.6484 -3.1217 -3.1192 -3.1135 -3.1114 -3.1066 -3.1032 3.3785 3.3803 6.2163 6.2909 6.4790 6.6370 7.1002 7.2273 7.3058 7.6714 7.8963 7.9552 8.1341 8.2559 9.9422 10.2109 10.9876 11.2163 13.9412 14.1555 14.2817 14.3085 15.0011 15.0411 15.3476 15.4904 k = 0.5000 0.1274 0.4323 ( 2790 PWs) bands (ev): -30.6384 -30.6382 -11.6682 -11.6634 -10.2516 -10.2467 -10.2339 -10.2333 -5.6535 -5.6512 -5.6489 -5.6482 -3.1210 -3.1187 -3.1135 -3.1114 -3.1062 -3.1031 3.3743 3.3761 6.2178 6.2839 6.4803 6.6231 7.0907 7.2177 7.3023 7.6525 7.8973 7.9517 8.1189 8.2407 9.9988 10.2567 11.0206 11.2397 13.9245 14.1716 14.2688 14.3377 14.9933 15.0344 15.3443 15.4837 k = 0.5000 0.1358 0.4203 ( 2790 PWs) bands (ev): -30.6384 -30.6382 -11.6681 -11.6634 -10.2519 -10.2473 -10.2335 -10.2330 -5.6531 -5.6510 -5.6487 -5.6480 -3.1204 -3.1182 -3.1136 -3.1115 -3.1058 -3.1031 3.3699 3.3719 6.2194 6.2771 6.4820 6.6099 7.0810 7.2036 7.3033 7.6329 7.8975 7.9485 8.1026 8.2242 10.0598 10.3066 11.0537 11.2621 13.9054 14.1742 14.2674 14.3720 14.9830 15.0251 15.3290 15.4605 k = 0.5000 0.1443 0.4082 ( 2784 PWs) bands (ev): -30.6385 -30.6382 -11.6680 -11.6635 -10.2521 -10.2478 -10.2330 -10.2326 -5.6526 -5.6508 -5.6484 -5.6478 -3.1197 -3.1177 -3.1136 -3.1116 -3.1054 -3.1030 3.3655 3.3677 6.2208 6.2708 6.4840 6.5977 7.0710 7.1868 7.3071 7.6132 7.8968 7.9455 8.0853 8.2068 10.1246 10.3603 11.0866 11.2837 13.8839 14.1571 14.2854 14.4083 14.9706 15.0136 15.3029 15.4233 k = 0.5000 0.1528 0.3962 ( 2786 PWs) bands (ev): -30.6385 -30.6383 -11.6679 -11.6636 -10.2524 -10.2483 -10.2326 -10.2322 -5.6522 -5.6506 -5.6482 -5.6476 -3.1191 -3.1173 -3.1137 -3.1117 -3.1049 -3.1028 3.3610 3.3635 6.2223 6.2649 6.4865 6.5864 7.0608 7.1685 7.3124 7.5934 7.8949 7.9426 8.0676 8.1891 10.1928 10.4173 11.1194 11.3043 13.8596 14.1277 14.3148 14.4456 14.9567 15.0002 15.2682 15.3751 k = 0.5000 0.1613 0.3842 ( 2802 PWs) bands (ev): -30.6385 -30.6383 -11.6678 -11.6637 -10.2527 -10.2488 -10.2322 -10.2318 -5.6518 -5.6504 -5.6480 -5.6474 -3.1185 -3.1168 -3.1137 -3.1118 -3.1045 -3.1027 3.3564 3.3592 6.2236 6.2595 6.4892 6.5761 7.0504 7.1495 7.3184 7.5740 7.8919 7.9395 8.0499 8.1713 10.2635 10.4769 11.1522 11.3242 13.8323 14.0910 14.3493 14.4834 14.9416 14.9851 15.2277 15.3192 k = 0.5000 0.1698 0.3722 ( 2802 PWs) bands (ev): -30.6385 -30.6383 -11.6677 -11.6638 -10.2529 -10.2493 -10.2318 -10.2315 -5.6514 -5.6502 -5.6478 -5.6473 -3.1179 -3.1164 -3.1138 -3.1119 -3.1040 -3.1025 3.3520 3.3550 6.2250 6.2547 6.4924 6.5668 7.0399 7.1303 7.3247 7.5551 7.8878 7.9359 8.0330 8.1539 10.3362 10.5386 11.1851 11.3435 13.8016 14.0485 14.3864 14.5210 14.9256 14.9687 15.1843 15.2592 k = 0.5000 0.1783 0.3602 ( 2800 PWs) bands (ev): -30.6385 -30.6383 -11.6676 -11.6639 -10.2531 -10.2498 -10.2314 -10.2311 -5.6510 -5.6500 -5.6476 -5.6471 -3.1174 -3.1161 -3.1138 -3.1121 -3.1035 -3.1023 3.3477 3.3508 6.2263 6.2505 6.4958 6.5586 7.0294 7.1111 7.3308 7.5370 7.8828 7.9308 8.0178 8.1371 10.4100 10.6014 11.2183 11.3625 13.7672 14.0007 14.4245 14.5576 14.9090 14.9513 15.1406 15.1981 k = 0.5000 0.1868 0.3482 ( 2798 PWs) bands (ev): -30.6386 -30.6384 -11.6675 -11.6640 -10.2533 -10.2503 -10.2310 -10.2308 -5.6506 -5.6498 -5.6474 -5.6470 -3.1169 -3.1157 -3.1138 -3.1122 -3.1030 -3.1020 3.3435 3.3467 6.2275 6.2469 6.4995 6.5515 7.0189 7.0922 7.3368 7.5199 7.8771 7.9235 8.0054 8.1212 10.4841 10.6642 11.2521 11.3814 13.7288 13.9477 14.4629 14.5924 14.8920 14.9336 15.0987 15.1388 k = 0.5000 0.1953 0.3362 ( 2796 PWs) bands (ev): -30.6386 -30.6384 -11.6674 -11.6641 -10.2535 -10.2507 -10.2306 -10.2305 -5.6502 -5.6496 -5.6472 -5.6469 -3.1165 -3.1154 -3.1139 -3.1124 -3.1026 -3.1018 3.3395 3.3428 6.2287 6.2439 6.5034 6.5454 7.0086 7.0736 7.3423 7.5039 7.8709 7.9136 7.9964 8.1063 10.5576 10.7261 11.2867 11.4006 13.6864 13.8896 14.5004 14.6244 14.8749 14.9163 15.0602 15.0836 k = 0.5000 0.2038 0.3242 ( 2804 PWs) bands (ev): -30.6386 -30.6384 -11.6673 -11.6642 -10.2537 -10.2511 -10.2303 -10.2302 -5.6499 -5.6494 -5.6471 -5.6468 -3.1161 -3.1151 -3.1139 -3.1125 -3.1021 -3.1015 3.3357 3.3390 6.2299 6.2414 6.5074 6.5403 6.9984 7.0555 7.3474 7.4892 7.8643 7.9013 7.9907 8.0925 10.6294 10.7857 11.3226 11.4205 13.6402 13.8270 14.5363 14.6524 14.8585 14.9004 15.0246 15.0352 k = 0.5000 0.2123 0.3122 ( 2810 PWs) bands (ev): -30.6386 -30.6385 -11.6671 -11.6644 -10.2538 -10.2516 -10.2300 -10.2299 -5.6495 -5.6492 -5.6469 -5.6467 -3.1157 -3.1148 -3.1139 -3.1127 -3.1017 -3.1012 3.3322 3.3354 6.2310 6.2395 6.5114 6.5363 6.9887 7.0381 7.3521 7.4757 7.8576 7.8878 7.9877 8.0798 10.6984 10.8417 11.3600 11.4416 13.5908 13.7608 14.5695 14.6747 14.8443 14.8870 14.9866 15.0003 k = 0.5000 0.2208 0.3002 ( 2808 PWs) bands (ev): -30.6386 -30.6385 -11.6670 -11.6645 -10.2540 -10.2519 -10.2297 -10.2296 -5.6492 -5.6490 -5.6468 -5.6466 -3.1154 -3.1146 -3.1139 -3.1128 -3.1012 -3.1009 3.3290 3.3320 6.2321 6.2381 6.5152 6.5332 6.9794 7.0215 7.3564 7.4634 7.8510 7.8742 7.9865 8.0681 10.7635 10.8928 11.3990 11.4642 13.5391 13.6921 14.5991 14.6895 14.8344 14.8771 14.9507 14.9745 k = 0.5000 0.2292 0.2882 ( 2812 PWs) bands (ev): -30.6386 -30.6385 -11.6669 -11.6647 -10.2541 -10.2523 -10.2295 -10.2294 -5.6490 -5.6488 -5.6466 -5.6465 -3.1151 -3.1144 -3.1140 -3.1129 -3.1009 -3.1006 3.3261 3.3289 6.2330 6.2371 6.5189 6.5311 6.9707 7.0060 7.3604 7.4522 7.8444 7.8611 7.9866 8.0575 10.8235 10.9377 11.4393 11.4886 13.4866 13.6224 14.6238 14.6960 14.8301 14.8714 14.9212 14.9529 k = 0.5000 0.2377 0.2762 ( 2810 PWs) bands (ev): -30.6386 -30.6385 -11.6667 -11.6648 -10.2542 -10.2526 -10.2292 -10.2292 -5.6487 -5.6486 -5.6465 -5.6464 -3.1148 -3.1143 -3.1140 -3.1131 -3.1005 -3.1004 3.3236 3.3262 6.2339 6.2365 6.5222 6.5298 6.9629 6.9918 7.3644 7.4420 7.8382 7.8494 7.9877 8.0478 10.8774 10.9757 11.4800 11.5148 13.4351 13.5536 14.6427 14.6958 14.8307 14.8699 14.8989 14.9348 k = 0.5000 0.2462 0.2642 ( 2806 PWs) bands (ev): -30.6386 -30.6385 -11.6666 -11.6649 -10.2542 -10.2529 -10.2290 -10.2290 -5.6485 -5.6485 -5.6465 -5.6464 -3.1146 -3.1142 -3.1139 -3.1132 -3.1002 -3.1001 3.3215 3.3237 6.2346 6.2361 6.5251 6.5291 6.9560 6.9791 7.3683 7.4326 7.8325 7.8392 7.9895 8.0391 10.9244 11.0063 11.5197 11.5419 13.3869 13.4876 14.6554 14.6920 14.8342 14.8690 14.8854 14.9198 k = 0.5000 0.2547 0.2522 ( 2802 PWs) bands (ev): -30.6386 -30.6386 -11.6664 -11.6651 -10.2542 -10.2532 -10.2289 -10.2289 -5.6483 -5.6483 -5.6464 -5.6464 -3.1145 -3.1141 -3.1139 -3.1133 -3.1000 -3.0999 3.3198 3.3216 6.2352 6.2360 6.5274 6.5291 6.9504 6.9681 7.3726 7.4238 7.8274 7.8310 7.9919 8.0312 10.9640 11.0293 11.5565 11.5689 13.3445 13.4267 14.6625 14.6870 14.8393 14.8626 14.8844 14.9079 k = 0.5000 0.2632 0.2401 ( 2804 PWs) bands (ev): -30.6386 -30.6386 -11.6662 -11.6653 -10.2542 -10.2534 -10.2288 -10.2288 -5.6482 -5.6482 -5.6463 -5.6463 -3.1143 -3.1141 -3.1139 -3.1134 -3.0998 -3.0998 3.3185 3.3199 6.2356 6.2359 6.5290 6.5295 6.9461 6.9589 7.3772 7.4156 7.8231 7.8247 7.9949 8.0241 10.9963 11.0450 11.5881 11.5937 13.3104 13.3734 14.6658 14.6822 14.8442 14.8556 14.8881 14.8995 k = 0.5000 0.2717 0.2281 ( 2802 PWs) bands (ev): -30.6386 -30.6386 -11.6661 -11.6654 -10.2542 -10.2536 -10.2287 -10.2287 -5.6481 -5.6481 -5.6463 -5.6463 -3.1142 -3.1140 -3.1138 -3.1135 -3.0996 -3.0996 3.3176 3.3186 6.2359 6.2360 6.5298 6.5303 6.9435 6.9517 7.3822 7.4079 7.8198 7.8203 7.9984 8.0177 11.0213 11.0536 11.6124 11.6141 13.2871 13.3299 14.6673 14.6778 14.8474 14.8511 14.8915 14.8949 k = 0.5000 0.2802 0.2161 ( 2796 PWs) bands (ev): -30.6386 -30.6386 -11.6659 -11.6656 -10.2541 -10.2538 -10.2286 -10.2286 -5.6481 -5.6481 -5.6463 -5.6463 -3.1141 -3.1140 -3.1138 -3.1136 -3.0996 -3.0996 3.3172 3.3177 6.2361 6.2361 6.5304 6.5308 6.9426 6.9466 7.3878 7.4007 7.8177 7.8178 8.0024 8.0120 11.0394 11.0555 11.6275 11.6278 13.2767 13.2983 14.6689 14.6741 14.8485 14.8489 14.8932 14.8936 k = 0.5000 0.2887 0.2041 ( 2788 PWs) bands (ev): -30.6386 -30.6386 -11.6657 -11.6657 -10.2539 -10.2539 -10.2286 -10.2286 -5.6480 -5.6480 -5.6463 -5.6463 -3.1141 -3.1141 -3.1137 -3.1137 -3.0995 -3.0995 3.3172 3.3172 6.2361 6.2361 6.5308 6.5308 6.9436 6.9436 7.3940 7.3940 7.8170 7.8170 8.0069 8.0069 11.0507 11.0507 11.6326 11.6326 13.2803 13.2803 14.6710 14.6710 14.8485 14.8485 14.8936 14.8936 k = 0.5000 0.2887 0.2041 ( 2788 PWs) bands (ev): -30.6386 -30.6386 -11.6657 -11.6657 -10.2539 -10.2539 -10.2286 -10.2286 -5.6480 -5.6480 -5.6463 -5.6463 -3.1141 -3.1141 -3.1137 -3.1137 -3.0995 -3.0995 3.3172 3.3172 6.2361 6.2361 6.5308 6.5308 6.9436 6.9436 7.3940 7.3940 7.8170 7.8170 8.0069 8.0069 11.0507 11.0507 11.6326 11.6326 13.2803 13.2803 14.6710 14.6710 14.8485 14.8485 14.8936 14.8936 k = 0.4957 0.2862 0.2182 ( 2796 PWs) bands (ev): -30.6386 -30.6386 -11.6659 -11.6656 -10.2541 -10.2538 -10.2286 -10.2286 -5.6481 -5.6481 -5.6463 -5.6463 -3.1141 -3.1140 -3.1138 -3.1136 -3.0996 -3.0996 3.3172 3.3177 6.2361 6.2361 6.5304 6.5308 6.9426 6.9467 7.3877 7.4008 7.8177 7.8178 8.0023 8.0121 11.0392 11.0555 11.6274 11.6276 13.2767 13.2987 14.6688 14.6741 14.8485 14.8490 14.8932 14.8936 k = 0.4914 0.2837 0.2323 ( 2800 PWs) bands (ev): -30.6386 -30.6386 -11.6661 -11.6654 -10.2541 -10.2536 -10.2287 -10.2287 -5.6481 -5.6481 -5.6463 -5.6463 -3.1142 -3.1140 -3.1138 -3.1135 -3.0996 -3.0996 3.3176 3.3186 6.2359 6.2360 6.5298 6.5303 6.9435 6.9519 7.3821 7.4081 7.8201 7.8202 7.9982 8.0179 11.0207 11.0535 11.6121 11.6133 13.2876 13.3310 14.6674 14.6779 14.8474 14.8511 14.8913 14.8951 k = 0.4871 0.2812 0.2464 ( 2804 PWs) bands (ev): -30.6386 -30.6386 -11.6662 -11.6652 -10.2542 -10.2534 -10.2288 -10.2288 -5.6482 -5.6482 -5.6463 -5.6463 -3.1143 -3.1141 -3.1139 -3.1134 -3.0998 -3.0998 3.3185 3.3200 6.2356 6.2360 6.5292 6.5292 6.9463 6.9593 7.3770 7.4159 7.8239 7.8243 7.9947 8.0244 10.9950 11.0444 11.5879 11.5916 13.3117 13.3756 14.6663 14.6818 14.8437 14.8557 14.8875 14.9005 k = 0.4828 0.2787 0.2604 ( 2804 PWs) bands (ev): -30.6386 -30.6386 -11.6664 -11.6651 -10.2542 -10.2532 -10.2289 -10.2289 -5.6483 -5.6483 -5.6464 -5.6464 -3.1144 -3.1142 -3.1138 -3.1133 -3.1000 -3.0999 3.3199 3.3217 6.2351 6.2360 6.5275 6.5288 6.9507 6.9687 7.3725 7.4241 7.8291 7.8300 7.9918 8.0317 10.9620 11.0278 11.5570 11.5648 13.3468 13.4303 14.6649 14.6852 14.8375 14.8634 14.8823 14.9111 k = 0.4784 0.2762 0.2745 ( 2805 PWs) bands (ev): -30.6386 -30.6385 -11.6666 -11.6649 -10.2542 -10.2529 -10.2291 -10.2290 -5.6485 -5.6485 -5.6465 -5.6464 -3.1146 -3.1144 -3.1138 -3.1132 -3.1002 -3.1001 3.3216 3.3239 6.2344 6.2363 6.5253 6.5288 6.9565 6.9800 7.3686 7.4327 7.8356 7.8373 7.9894 8.0397 10.9215 11.0032 11.5221 11.5351 13.3901 13.4924 14.6622 14.6869 14.8301 14.8691 14.8819 14.9271 k = 0.4741 0.2737 0.2886 ( 2809 PWs) bands (ev): -30.6386 -30.6385 -11.6667 -11.6648 -10.2542 -10.2526 -10.2293 -10.2292 -5.6487 -5.6486 -5.6466 -5.6464 -3.1148 -3.1145 -3.1137 -3.1132 -3.1006 -3.1004 3.3238 3.3264 6.2335 6.2368 6.5225 6.5293 6.9636 6.9930 7.3653 7.4414 7.8433 7.8461 7.9876 8.0487 10.8738 10.9703 11.4857 11.5045 13.4386 13.5595 14.6573 14.6860 14.8231 14.8628 14.8978 14.9488 k = 0.4698 0.2713 0.3027 ( 2807 PWs) bands (ev): -30.6386 -30.6385 -11.6669 -11.6646 -10.2541 -10.2523 -10.2295 -10.2294 -5.6490 -5.6488 -5.6467 -5.6465 -3.1150 -3.1147 -3.1136 -3.1131 -3.1009 -3.1006 3.3264 3.3293 6.2326 6.2375 6.5193 6.5305 6.9717 7.0074 7.3626 7.4504 7.8520 7.8561 7.9866 8.0586 10.8194 10.9287 11.4502 11.4743 13.4894 13.6290 14.6497 14.6819 14.8179 14.8542 14.9216 14.9765 k = 0.4655 0.2688 0.3167 ( 2809 PWs) bands (ev): -30.6386 -30.6385 -11.6670 -11.6645 -10.2540 -10.2519 -10.2298 -10.2296 -5.6492 -5.6490 -5.6468 -5.6466 -3.1153 -3.1149 -3.1135 -3.1131 -3.1013 -3.1009 3.3294 3.3324 6.2315 6.2387 6.5157 6.5326 6.9807 7.0229 7.3606 7.4593 7.8616 7.8671 7.9865 8.0695 10.7590 10.8791 11.4169 11.4454 13.5395 13.6985 14.6395 14.6740 14.8150 14.8460 14.9516 15.0105 k = 0.4612 0.2663 0.3308 ( 2809 PWs) bands (ev): -30.6386 -30.6384 -11.6672 -11.6643 -10.2538 -10.2515 -10.2301 -10.2299 -5.6495 -5.6492 -5.6470 -5.6466 -3.1155 -3.1152 -3.1134 -3.1131 -3.1018 -3.1011 3.3326 3.3359 6.2304 6.2403 6.5119 6.5356 6.9903 7.0393 7.3592 7.4683 7.8718 7.8786 7.9879 8.0815 10.6938 10.8223 11.3867 11.4182 13.5862 13.7656 14.6279 14.6627 14.8145 14.8392 14.9876 15.0511 k = 0.4569 0.2638 0.3449 ( 2809 PWs) bands (ev): -30.6386 -30.6384 -11.6673 -11.6642 -10.2537 -10.2511 -10.2304 -10.2302 -5.6499 -5.6495 -5.6471 -5.6467 -3.1159 -3.1154 -3.1133 -3.1132 -3.1023 -3.1013 3.3362 3.3395 6.2292 6.2424 6.5079 6.5397 7.0005 7.0561 7.3587 7.4772 7.8825 7.8897 7.9911 8.0945 10.6248 10.7598 11.3595 11.3928 13.6267 13.8278 14.6165 14.6489 14.8160 14.8345 15.0292 15.0983 k = 0.4526 0.2613 0.3590 ( 2809 PWs) bands (ev): -30.6386 -30.6384 -11.6674 -11.6641 -10.2535 -10.2506 -10.2308 -10.2305 -5.6502 -5.6497 -5.6473 -5.6469 -3.1162 -3.1157 -3.1133 -3.1131 -3.1028 -3.1015 3.3401 3.3434 6.2281 6.2450 6.5039 6.5449 7.0111 7.0731 7.3590 7.4859 7.8935 7.8996 7.9969 8.1087 10.5534 10.6931 11.3352 11.3692 13.6588 13.8826 14.6071 14.6345 14.8193 14.8320 15.0759 15.1515 k = 0.4483 0.2588 0.3731 ( 2801 PWs) bands (ev): -30.6385 -30.6384 -11.6675 -11.6640 -10.2533 -10.2502 -10.2312 -10.2307 -5.6505 -5.6499 -5.6475 -5.6470 -3.1166 -3.1160 -3.1134 -3.1129 -3.1034 -3.1017 3.3442 3.3474 6.2269 6.2483 6.5000 6.5512 7.0220 7.0898 7.3604 7.4944 7.9045 7.9074 8.0058 8.1239 10.4808 10.6238 11.3132 11.3472 13.6808 13.9275 14.6016 14.6216 14.8239 14.8316 15.1268 15.2102 k = 0.4440 0.2563 0.3871 ( 2799 PWs) bands (ev): -30.6385 -30.6383 -11.6676 -11.6639 -10.2531 -10.2497 -10.2316 -10.2310 -5.6509 -5.6502 -5.6477 -5.6471 -3.1170 -3.1162 -3.1136 -3.1128 -3.1040 -3.1018 3.3484 3.3516 6.2258 6.2521 6.4961 6.5586 7.0331 7.1059 7.3630 7.5027 7.9126 7.9153 8.0181 8.1400 10.4079 10.5535 11.2932 11.3266 13.6914 13.9599 14.6013 14.6129 14.8295 14.8335 15.1809 15.2731 k = 0.4397 0.2538 0.4012 ( 2792 PWs) bands (ev): -30.6385 -30.6383 -11.6677 -11.6637 -10.2529 -10.2492 -10.2320 -10.2313 -5.6513 -5.6504 -5.6479 -5.6473 -3.1174 -3.1165 -3.1139 -3.1126 -3.1045 -3.1019 3.3528 3.3558 6.2248 6.2565 6.4924 6.5673 7.0443 7.1210 7.3670 7.5107 7.9153 7.9258 8.0333 8.1567 10.3359 10.4834 11.2747 11.3073 13.6905 13.9780 14.6068 14.6107 14.8360 14.8373 15.2370 15.3386 k = 0.4353 0.2513 0.4153 ( 2792 PWs) bands (ev): -30.6385 -30.6383 -11.6678 -11.6637 -10.2527 -10.2487 -10.2324 -10.2316 -5.6516 -5.6507 -5.6481 -5.6475 -3.1178 -3.1168 -3.1142 -3.1125 -3.1051 -3.1019 3.3573 3.3600 6.2238 6.2616 6.4889 6.5770 7.0555 7.1347 7.3727 7.5185 7.9160 7.9359 8.0504 8.1738 10.2658 10.4148 11.2576 11.2893 13.6786 13.9810 14.6163 14.6182 14.8432 14.8434 15.2933 15.4047 k = 0.4310 0.2489 0.4294 ( 2792 PWs) bands (ev): -30.6385 -30.6383 -11.6679 -11.6636 -10.2524 -10.2482 -10.2329 -10.2319 -5.6520 -5.6509 -5.6484 -5.6477 -3.1183 -3.1171 -3.1146 -3.1124 -3.1056 -3.1019 3.3618 3.3642 6.2228 6.2673 6.4856 6.5879 7.0665 7.1468 7.3803 7.5261 7.9150 7.9453 8.0686 8.1908 10.1985 10.3489 11.2415 11.2725 13.6569 13.9696 14.6296 14.6351 14.8511 14.8516 15.3480 15.4688 k = 0.4267 0.2464 0.4434 ( 2796 PWs) bands (ev): -30.6385 -30.6382 -11.6680 -11.6635 -10.2522 -10.2476 -10.2334 -10.2322 -5.6523 -5.6512 -5.6486 -5.6479 -3.1188 -3.1174 -3.1151 -3.1124 -3.1061 -3.1018 3.3663 3.3683 6.2219 6.2735 6.4825 6.5999 7.0773 7.1569 7.3898 7.5336 7.9128 7.9540 8.0870 8.2073 10.1350 10.2866 11.2265 11.2569 13.6269 13.9459 14.6494 14.6567 14.8605 14.8612 15.3989 15.5274 k = 0.4224 0.2439 0.4575 ( 2790 PWs) bands (ev): -30.6384 -30.6382 -11.6681 -11.6634 -10.2520 -10.2471 -10.2339 -10.2325 -5.6527 -5.6515 -5.6488 -5.6481 -3.1192 -3.1177 -3.1155 -3.1124 -3.1065 -3.1017 3.3707 3.3723 6.2210 6.2803 6.4797 6.6128 7.0878 7.1650 7.4013 7.5409 7.9096 7.9619 8.1049 8.2226 10.0763 10.2289 11.2124 11.2425 13.5903 13.9125 14.6737 14.6819 14.8702 14.8736 15.4436 15.5769 k = 0.4181 0.2414 0.4716 ( 2802 PWs) bands (ev): -30.6384 -30.6382 -11.6681 -11.6634 -10.2518 -10.2466 -10.2344 -10.2327 -5.6530 -5.6517 -5.6490 -5.6484 -3.1197 -3.1180 -3.1161 -3.1125 -3.1069 -3.1016 3.3750 3.3761 6.2200 6.2877 6.4770 6.6265 7.0979 7.1711 7.4148 7.5481 7.9056 7.9691 8.1216 8.2362 10.0232 10.1767 11.1992 11.2292 13.5489 13.8719 14.7005 14.7099 14.8805 14.8885 15.4797 15.6133 k = 0.4138 0.2389 0.4857 ( 2797 PWs) bands (ev): -30.6384 -30.6382 -11.6682 -11.6633 -10.2516 -10.2461 -10.2349 -10.2329 -5.6533 -5.6520 -5.6492 -5.6486 -3.1202 -3.1183 -3.1166 -3.1127 -3.1071 -3.1014 3.3791 3.3798 6.2191 6.2954 6.4746 6.6408 7.1075 7.1753 7.4300 7.5553 7.9009 7.9754 8.1365 8.2474 9.9765 10.1308 11.1869 11.2172 13.5040 13.8264 14.7283 14.7398 14.8915 14.9060 15.5052 15.6343 k = 0.4095 0.2364 0.4998 ( 2794 PWs) bands (ev): -30.6384 -30.6381 -11.6682 -11.6633 -10.2514 -10.2456 -10.2353 -10.2331 -5.6536 -5.6523 -5.6494 -5.6489 -3.1206 -3.1186 -3.1171 -3.1130 -3.1071 -3.1013 3.3829 3.3831 6.2181 6.3035 6.4723 6.6556 7.1164 7.1777 7.4466 7.5625 7.8957 7.9809 8.1492 8.2557 9.9373 10.0919 11.1755 11.2065 13.4569 13.7777 14.7557 14.7710 14.9031 14.9262 15.5190 15.6403 k = 0.4052 0.2339 0.5138 ( 2796 PWs) bands (ev): -30.6384 -30.6381 -11.6682 -11.6632 -10.2513 -10.2451 -10.2358 -10.2332 -5.6538 -5.6526 -5.6496 -5.6492 -3.1210 -3.1189 -3.1177 -3.1135 -3.1071 -3.1011 3.3862 3.3864 6.2170 6.3119 6.4702 6.6705 7.1245 7.1785 7.4645 7.5697 7.8900 7.9856 8.1594 8.2606 9.9059 10.0606 11.1651 11.1972 13.4087 13.7274 14.7820 14.8027 14.9151 14.9490 15.5217 15.6347 k = 0.4009 0.2314 0.5279 ( 2802 PWs) bands (ev): -30.6383 -30.6381 -11.6682 -11.6632 -10.2512 -10.2446 -10.2362 -10.2334 -5.6540 -5.6529 -5.6498 -5.6495 -3.1214 -3.1192 -3.1182 -3.1139 -3.1070 -3.1009 3.3889 3.3895 6.2159 6.3205 6.4682 6.6853 7.1318 7.1780 7.4831 7.5771 7.8842 7.9894 8.1669 8.2620 9.8831 10.0374 11.1555 11.1892 13.3602 13.6764 14.8066 14.8343 14.9275 14.9739 15.5151 15.6222 k = 0.3966 0.2289 0.5420 ( 2802 PWs) bands (ev): -30.6383 -30.6381 -11.6682 -11.6632 -10.2510 -10.2442 -10.2365 -10.2334 -5.6542 -5.6532 -5.6499 -5.6498 -3.1218 -3.1195 -3.1188 -3.1144 -3.1069 -3.1008 3.3911 3.3922 6.2148 6.3291 6.4662 6.6994 7.1382 7.1762 7.5023 7.5846 7.8783 7.9923 8.1717 8.2598 9.8691 10.0224 11.1470 11.1826 13.3121 13.6258 14.8295 14.8652 14.9402 15.0000 15.5024 15.6066 k = 0.3922 0.2265 0.5561 ( 2806 PWs) bands (ev): -30.6383 -30.6381 -11.6682 -11.6632 -10.2510 -10.2439 -10.2368 -10.2335 -5.6544 -5.6535 -5.6501 -5.6500 -3.1222 -3.1199 -3.1193 -3.1148 -3.1067 -3.1006 3.3929 3.3944 6.2136 6.3377 6.4642 6.7125 7.1436 7.1733 7.5217 7.5922 7.8728 7.9945 8.1739 8.2543 9.8638 10.0158 11.1394 11.1775 13.2651 13.5761 14.8507 14.8944 14.9530 15.0265 15.4868 15.5909 k = 0.3879 0.2240 0.5701 ( 2808 PWs) bands (ev): -30.6383 -30.6381 -11.6682 -11.6632 -10.2509 -10.2437 -10.2370 -10.2334 -5.6545 -5.6538 -5.6505 -5.6501 -3.1225 -3.1203 -3.1199 -3.1152 -3.1065 -3.1005 3.3941 3.3959 6.2123 6.3460 6.4622 6.7239 7.1479 7.1694 7.5410 7.5999 7.8678 7.9959 8.1740 8.2461 9.8670 10.0174 11.1329 11.1738 13.2196 13.5279 14.8702 14.9211 14.9660 15.0519 15.4712 15.5770 k = 0.3836 0.2215 0.5842 ( 2802 PWs) bands (ev): -30.6383 -30.6380 -11.6681 -11.6632 -10.2508 -10.2435 -10.2370 -10.2334 -5.6546 -5.6541 -5.6508 -5.6502 -3.1228 -3.1207 -3.1204 -3.1156 -3.1063 -3.1004 3.3946 3.3968 6.2110 6.3540 6.4600 6.7332 7.1513 7.1645 7.5597 7.6077 7.8639 7.9966 8.1724 8.2362 9.8784 10.0268 11.1275 11.1717 13.1760 13.4816 14.8878 14.9437 14.9796 15.0747 15.4581 15.5654 k = 0.3793 0.2190 0.5983 ( 2804 PWs) bands (ev): -30.6383 -30.6380 -11.6681 -11.6632 -10.2508 -10.2434 -10.2370 -10.2333 -5.6547 -5.6544 -5.6511 -5.6502 -3.1231 -3.1212 -3.1208 -3.1159 -3.1060 -3.1003 3.3945 3.3969 6.2096 6.3615 6.4576 6.7398 7.1538 7.1588 7.5776 7.6154 7.8615 7.9964 8.1697 8.2257 9.8971 10.0437 11.1231 11.1711 13.1347 13.4376 14.9032 14.9604 14.9942 15.0934 15.4496 15.5226 k = 0.3750 0.2165 0.6124 ( 2810 PWs) bands (ev): -30.6383 -30.6380 -11.6680 -11.6632 -10.2508 -10.2435 -10.2369 -10.2331 -5.6548 -5.6547 -5.6515 -5.6502 -3.1234 -3.1217 -3.1212 -3.1161 -3.1058 -3.1003 3.3936 3.3961 6.2081 6.3683 6.4549 6.7430 7.1524 7.1555 7.5941 7.6231 7.8610 7.9955 8.1665 8.2159 9.9226 10.0674 11.1198 11.1720 13.0958 13.3960 14.9158 14.9709 15.0091 15.1067 15.4464 15.4736 k = 0.6250-0.0722 0.4082 ( 2810 PWs) bands (ev): -30.6383 -30.6380 -11.6680 -11.6632 -10.2508 -10.2435 -10.2369 -10.2331 -5.6548 -5.6547 -5.6515 -5.6502 -3.1234 -3.1217 -3.1212 -3.1161 -3.1058 -3.1003 3.3936 3.3961 6.2081 6.3683 6.4549 6.7430 7.1524 7.1555 7.5941 7.6231 7.8610 7.9955 8.1665 8.2159 9.9226 10.0674 11.1198 11.1720 13.0958 13.3960 14.9158 14.9709 15.0091 15.1067 15.4464 15.4736 k = 0.6176-0.0849 0.4082 ( 2808 PWs) bands (ev): -30.6383 -30.6380 -11.6679 -11.6632 -10.2507 -10.2437 -10.2365 -10.2328 -5.6552 -5.6548 -5.6520 -5.6503 -3.1241 -3.1227 -3.1217 -3.1164 -3.1055 -3.1002 3.3910 3.3937 6.2059 6.3787 6.4499 6.7443 7.1412 7.1571 7.6204 7.6358 7.8627 7.9929 8.1613 8.2010 9.9744 10.1168 11.1158 11.1758 13.0333 13.3286 14.9316 14.9795 15.0337 15.1228 15.3929 15.4419 k = 0.6103-0.0976 0.4082 ( 2816 PWs) bands (ev): -30.6383 -30.6380 -11.6677 -11.6632 -10.2507 -10.2440 -10.2360 -10.2325 -5.6558 -5.6550 -5.6525 -5.6503 -3.1248 -3.1237 -3.1220 -3.1166 -3.1051 -3.1001 3.3879 3.3907 6.2042 6.3878 6.4453 6.7436 7.1311 7.1573 7.6452 7.6482 7.8659 7.9895 8.1560 8.1870 10.0323 10.1734 11.1132 11.1816 12.9739 13.2637 14.9403 14.9777 15.0586 15.1354 15.3249 15.3827 k = 0.6029-0.1104 0.4082 ( 2814 PWs) bands (ev): -30.6382 -30.6380 -11.6675 -11.6632 -10.2506 -10.2443 -10.2354 -10.2322 -5.6563 -5.6551 -5.6529 -5.6504 -3.1256 -3.1246 -3.1222 -3.1169 -3.1048 -3.1001 3.3843 3.3872 6.2032 6.3938 6.4430 6.7411 7.1219 7.1562 7.6601 7.6684 7.8702 7.9853 8.1503 8.1739 10.0957 10.2365 11.1121 11.1895 12.9176 13.2013 14.9388 14.9635 15.0833 15.1412 15.2709 15.3369 k = 0.5956-0.1231 0.4082 ( 2816 PWs) bands (ev): -30.6382 -30.6380 -11.6674 -11.6633 -10.2506 -10.2446 -10.2349 -10.2319 -5.6568 -5.6554 -5.6533 -5.6504 -3.1265 -3.1256 -3.1224 -3.1172 -3.1044 -3.1001 3.3804 3.3833 6.2028 6.3948 6.4451 6.7372 7.1137 7.1538 7.6717 7.6900 7.8754 7.9801 8.1443 8.1619 10.1637 10.3056 11.1122 11.1992 12.8644 13.1410 14.9239 14.9362 15.1074 15.1336 15.2384 15.3058 k = 0.5882-0.1358 0.4082 ( 2820 PWs) bands (ev): -30.6382 -30.6380 -11.6672 -11.6633 -10.2505 -10.2450 -10.2343 -10.2315 -5.6573 -5.6557 -5.6535 -5.6505 -3.1274 -3.1265 -3.1225 -3.1176 -3.1041 -3.1001 3.3763 3.3792 6.2032 6.3907 6.4520 6.7319 7.1064 7.1503 7.6830 7.7100 7.8810 7.9739 8.1380 8.1510 10.2354 10.3798 11.1137 11.2108 12.8141 13.0827 14.8945 14.8981 15.1083 15.1304 15.2281 15.2873 k = 0.5809-0.1486 0.4082 ( 2812 PWs) bands (ev): -30.6382 -30.6380 -11.6669 -11.6633 -10.2505 -10.2453 -10.2337 -10.2311 -5.6577 -5.6562 -5.6536 -5.6506 -3.1282 -3.1274 -3.1226 -3.1179 -3.1038 -3.1001 3.3721 3.3749 6.2043 6.3831 6.4620 6.7254 7.1001 7.1458 7.6943 7.7286 7.8866 7.9665 8.1315 8.1413 10.3097 10.4579 11.1164 11.2243 12.7667 13.0261 14.8531 14.8538 15.0662 15.1519 15.2286 15.2772 k = 0.5735-0.1613 0.4082 ( 2806 PWs) bands (ev): -30.6382 -30.6380 -11.6667 -11.6634 -10.2504 -10.2457 -10.2331 -10.2308 -5.6581 -5.6566 -5.6536 -5.6508 -3.1290 -3.1283 -3.1226 -3.1182 -3.1035 -3.1001 3.3680 3.3707 6.2061 6.3736 6.4735 6.7180 7.0946 7.1406 7.7056 7.7459 7.8918 7.9579 8.1250 8.1327 10.3854 10.5386 11.1207 11.2396 12.7222 12.9710 14.8052 14.8070 15.0073 15.1698 15.2320 15.2660 k = 0.5662-0.1741 0.4082 ( 2806 PWs) bands (ev): -30.6382 -30.6380 -11.6665 -11.6634 -10.2503 -10.2461 -10.2325 -10.2305 -5.6585 -5.6571 -5.6536 -5.6509 -3.1298 -3.1291 -3.1226 -3.1185 -3.1032 -3.1002 3.3641 3.3666 6.2088 6.3632 6.4860 6.7096 7.0900 7.1348 7.7170 7.7619 7.8962 7.9483 8.1187 8.1253 10.4611 10.6199 11.1269 11.2565 12.6806 12.9170 14.7572 14.7585 14.9357 15.1666 15.2255 15.2363 k = 0.5588-0.1868 0.4082 ( 2802 PWs) bands (ev): -30.6382 -30.6381 -11.6663 -11.6635 -10.2502 -10.2464 -10.2320 -10.2302 -5.6589 -5.6575 -5.6536 -5.6511 -3.1304 -3.1299 -3.1225 -3.1189 -3.1030 -3.1002 3.3603 3.3626 6.2122 6.3522 6.4990 6.7005 7.0863 7.1287 7.7287 7.7769 7.8995 7.9376 8.1127 8.1190 10.5353 10.6994 11.1358 11.2750 12.6421 12.8640 14.7112 14.7112 14.8588 15.0894 15.2229 15.2419 k = 0.5515-0.1995 0.4082 ( 2806 PWs) bands (ev): -30.6382 -30.6381 -11.6661 -11.6636 -10.2501 -10.2468 -10.2315 -10.2299 -5.6592 -5.6580 -5.6535 -5.6512 -3.1311 -3.1306 -3.1225 -3.1192 -3.1027 -3.1003 3.3569 3.3590 6.2164 6.3409 6.5123 6.6906 7.0835 7.1225 7.7405 7.7909 7.9014 7.9261 8.1073 8.1137 10.6065 10.7738 11.1488 11.2946 12.6069 12.8118 14.6667 14.6687 14.7829 14.9922 15.2362 15.2485 k = 0.5441-0.2123 0.4082 ( 2804 PWs) bands (ev): -30.6382 -30.6381 -11.6658 -11.6637 -10.2500 -10.2471 -10.2310 -10.2297 -5.6594 -5.6584 -5.6534 -5.6514 -3.1316 -3.1312 -3.1224 -3.1195 -3.1025 -3.1004 3.3538 3.3556 6.2213 6.3296 6.5258 6.6801 7.0815 7.1162 7.7527 7.8040 7.9017 7.9139 8.1027 8.1092 10.6733 10.8386 11.1681 11.3150 12.5755 12.7605 14.6261 14.6306 14.7129 14.8966 15.2498 15.2556 k = 0.5368-0.2250 0.4082 ( 2798 PWs) bands (ev): -30.6382 -30.6381 -11.6656 -11.6638 -10.2498 -10.2474 -10.2306 -10.2295 -5.6596 -5.6587 -5.6533 -5.6516 -3.1321 -3.1317 -3.1223 -3.1198 -3.1022 -3.1005 3.3511 3.3527 6.2271 6.3183 6.5395 6.6691 7.0803 7.1102 7.7651 7.8163 7.9005 7.9014 8.0991 8.1054 10.7342 10.8895 11.1958 11.3351 12.5486 12.7106 14.5900 14.5975 14.6522 14.8072 15.2618 15.2627 k = 0.5294-0.2377 0.4082 ( 2798 PWs) bands (ev): -30.6382 -30.6381 -11.6654 -11.6639 -10.2497 -10.2478 -10.2302 -10.2293 -5.6598 -5.6590 -5.6531 -5.6518 -3.1325 -3.1322 -3.1221 -3.1202 -3.1020 -3.1006 3.3489 3.3502 6.2335 6.3072 6.5532 6.6575 7.0799 7.1044 7.7777 7.8277 7.8887 7.8976 8.0963 8.1021 10.7883 10.9236 11.2316 11.3535 12.5272 12.6627 14.5590 14.5700 14.6036 14.7267 15.2693 15.2717 k = 0.5221-0.2505 0.4082 ( 2786 PWs) bands (ev): -30.6382 -30.6381 -11.6652 -11.6641 -10.2495 -10.2481 -10.2299 -10.2292 -5.6599 -5.6593 -5.6530 -5.6519 -3.1327 -3.1325 -3.1219 -3.1205 -3.1018 -3.1007 3.3471 3.3481 6.2407 6.2963 6.5668 6.6455 7.0804 7.0991 7.7906 7.8377 7.8764 7.8933 8.0946 8.0994 10.8348 10.9417 11.2720 11.3682 12.5127 12.6183 14.5346 14.5486 14.5680 14.6572 15.2752 15.2791 k = 0.5147-0.2632 0.4082 ( 2784 PWs) bands (ev): -30.6381 -30.6381 -11.6650 -11.6642 -10.2493 -10.2483 -10.2296 -10.2292 -5.6599 -5.6595 -5.6528 -5.6521 -3.1329 -3.1328 -3.1217 -3.1207 -3.1016 -3.1009 3.3459 3.3466 6.2485 6.2858 6.5805 6.6331 7.0817 7.0943 7.8035 7.8440 7.8670 7.8876 8.0937 8.0972 10.8734 10.9466 11.3110 11.3767 12.5064 12.5789 14.5197 14.5335 14.5441 14.6005 15.2800 15.2837 k = 0.5074-0.2759 0.4082 ( 2778 PWs) bands (ev): -30.6381 -30.6381 -11.6648 -11.6644 -10.2491 -10.2486 -10.2294 -10.2292 -5.6599 -5.6597 -5.6527 -5.6523 -3.1331 -3.1330 -3.1215 -3.1210 -3.1014 -3.1010 3.3453 3.3456 6.2570 6.2757 6.5939 6.6203 7.0837 7.0901 7.8165 7.8402 7.8671 7.8809 8.0937 8.0955 10.9040 10.9410 11.3434 11.3764 12.5097 12.5466 14.5174 14.5251 14.5301 14.5579 15.2835 15.2857 k = 0.5000-0.2887 0.4082 ( 2778 PWs) bands (ev): -30.6381 -30.6381 -11.6646 -11.6646 -10.2488 -10.2488 -10.2293 -10.2293 -5.6598 -5.6598 -5.6525 -5.6525 -3.1331 -3.1331 -3.1213 -3.1213 -3.1012 -3.1012 3.3452 3.3452 6.2661 6.2661 6.6072 6.6072 7.0866 7.0866 7.8292 7.8292 7.8736 7.8736 8.0943 8.0943 10.9266 10.9266 11.3656 11.3656 12.5232 12.5232 14.5232 14.5232 14.5307 14.5307 15.2855 15.2855 Writing output data file YPbAu.save init_run : 1.18s CPU 0.67s WALL ( 1 calls) electrons : 277.06s CPU 181.06s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.10s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 277.05s CPU 181.05s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.28s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.24s CPU 0.31s WALL ( 315 calls) cegterg : 246.21s CPU 162.32s WALL ( 559 calls) Called by sum_band: Called by *egterg: h_psi : 171.91s CPU 101.76s WALL ( 9324 calls) s_psi : 6.90s CPU 4.40s WALL ( 9324 calls) g_psi : 0.27s CPU 0.16s WALL ( 8450 calls) cdiaghg : 74.32s CPU 57.04s WALL ( 8765 calls) cegterg:over : 7.38s CPU 4.91s WALL ( 8450 calls) cegterg:upda : 5.52s CPU 3.86s WALL ( 8450 calls) cegterg:last : 2.92s CPU 2.11s WALL ( 1482 calls) cdiaghg:chol : 4.28s CPU 3.13s WALL ( 8765 calls) cdiaghg:inve : 2.02s CPU 1.69s WALL ( 8765 calls) cdiaghg:para : 4.10s CPU 3.27s WALL ( 17530 calls) Called by h_psi: h_psi:vloc : 156.06s CPU 91.75s WALL ( 9324 calls) h_psi:vnl : 15.62s CPU 9.85s WALL ( 9324 calls) add_vuspsi : 9.44s CPU 5.88s WALL ( 9324 calls) General routines calbec : 6.14s CPU 3.95s WALL ( 9324 calls) fft : 0.12s CPU 0.06s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 147.16s CPU 86.07s WALL ( 757552 calls) interpolate : 0.03s CPU 0.02s WALL ( 4 calls) davcio : 0.36s CPU 1.51s WALL ( 630 calls) Parallel routines fft_scatter : 55.37s CPU 35.30s WALL ( 757575 calls) PWSCF : 4m50.30s CPU 3m24.12s WALL This run was terminated on: 1:55:10 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=