Program PWSCF v.5.1.1 starts on 27Aug2015 at 23:11:30 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), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./SnS.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 19 14 4 377 245 41 Max 20 15 5 381 256 46 Sum 913 691 211 18149 12051 2085 bravais-lattice index = 14 lattice parameter (alat) = 7.2758 a.u. unit-cell volume = 272.3517 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 20.00 number of Kohn-Sham states= 28 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 250.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.275816 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 S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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 Sn read from file: /home/autes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 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 1243 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 S 6.00 32.06500 S( 1.00) Sn 14.00 118.71000 Sn( 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: E 1 2C3 2 3 3s_v 4 5 -6 3s_v 6 -4 -5 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 385 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025974 k( 2) = ( 0.0086207 -0.0049772 0.0070388), wk = 0.0025974 k( 3) = ( 0.0172414 -0.0099543 0.0140775), wk = 0.0025974 k( 4) = ( 0.0258621 -0.0149315 0.0211163), wk = 0.0025974 k( 5) = ( 0.0344828 -0.0199086 0.0281551), wk = 0.0025974 k( 6) = ( 0.0431035 -0.0248858 0.0351938), wk = 0.0025974 k( 7) = ( 0.0517241 -0.0298629 0.0422326), wk = 0.0025974 k( 8) = ( 0.0603448 -0.0348401 0.0492713), wk = 0.0025974 k( 9) = ( 0.0689655 -0.0398173 0.0563101), wk = 0.0025974 k( 10) = ( 0.0775862 -0.0447944 0.0633489), wk = 0.0025974 k( 11) = ( 0.0862069 -0.0497716 0.0703876), wk = 0.0025974 k( 12) = ( 0.0948276 -0.0547487 0.0774264), wk = 0.0025974 k( 13) = ( 0.1034483 -0.0597259 0.0844652), wk = 0.0025974 k( 14) = ( 0.1120690 -0.0647030 0.0915039), wk = 0.0025974 k( 15) = ( 0.1206897 -0.0696802 0.0985427), wk = 0.0025974 k( 16) = ( 0.1293103 -0.0746574 0.1055815), wk = 0.0025974 k( 17) = ( 0.1379310 -0.0796345 0.1126202), wk = 0.0025974 k( 18) = ( 0.1465517 -0.0846117 0.1196590), wk = 0.0025974 k( 19) = ( 0.1551724 -0.0895888 0.1266977), wk = 0.0025974 k( 20) = ( 0.1637931 -0.0945660 0.1337365), wk = 0.0025974 k( 21) = ( 0.1724138 -0.0995431 0.1407753), wk = 0.0025974 k( 22) = ( 0.1810345 -0.1045203 0.1478140), wk = 0.0025974 k( 23) = ( 0.1896552 -0.1094975 0.1548528), wk = 0.0025974 k( 24) = ( 0.1982759 -0.1144746 0.1618916), wk = 0.0025974 k( 25) = ( 0.2068966 -0.1194518 0.1689303), wk = 0.0025974 k( 26) = ( 0.2155172 -0.1244289 0.1759691), wk = 0.0025974 k( 27) = ( 0.2241379 -0.1294061 0.1830079), wk = 0.0025974 k( 28) = ( 0.2327586 -0.1343833 0.1900466), wk = 0.0025974 k( 29) = ( 0.2413793 -0.1393604 0.1970854), wk = 0.0025974 k( 30) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0025974 k( 31) = ( 0.2586207 -0.1493147 0.2111629), wk = 0.0025974 k( 32) = ( 0.2672414 -0.1542919 0.2182017), wk = 0.0025974 k( 33) = ( 0.2758621 -0.1592690 0.2252404), wk = 0.0025974 k( 34) = ( 0.2844828 -0.1642462 0.2322792), wk = 0.0025974 k( 35) = ( 0.2931034 -0.1692234 0.2393180), wk = 0.0025974 k( 36) = ( 0.3017241 -0.1742005 0.2463567), wk = 0.0025974 k( 37) = ( 0.3103448 -0.1791777 0.2533955), wk = 0.0025974 k( 38) = ( 0.3189655 -0.1841548 0.2604343), wk = 0.0025974 k( 39) = ( 0.3275862 -0.1891320 0.2674730), wk = 0.0025974 k( 40) = ( 0.3362069 -0.1941091 0.2745118), wk = 0.0025974 k( 41) = ( 0.3448276 -0.1990863 0.2815505), wk = 0.0025974 k( 42) = ( 0.3534483 -0.2040635 0.2885893), wk = 0.0025974 k( 43) = ( 0.3620690 -0.2090406 0.2956281), wk = 0.0025974 k( 44) = ( 0.3706897 -0.2140178 0.3026668), wk = 0.0025974 k( 45) = ( 0.3793103 -0.2189949 0.3097056), wk = 0.0025974 k( 46) = ( 0.3879310 -0.2239721 0.3167444), wk = 0.0025974 k( 47) = ( 0.3965517 -0.2289492 0.3237831), wk = 0.0025974 k( 48) = ( 0.4051724 -0.2339264 0.3308219), wk = 0.0025974 k( 49) = ( 0.4137931 -0.2389036 0.3378607), wk = 0.0025974 k( 50) = ( 0.4224138 -0.2438807 0.3448994), wk = 0.0025974 k( 51) = ( 0.4310345 -0.2488579 0.3519382), wk = 0.0025974 k( 52) = ( 0.4396552 -0.2538350 0.3589769), wk = 0.0025974 k( 53) = ( 0.4482759 -0.2588122 0.3660157), wk = 0.0025974 k( 54) = ( 0.4568966 -0.2637893 0.3730545), wk = 0.0025974 k( 55) = ( 0.4655172 -0.2687665 0.3800932), wk = 0.0025974 k( 56) = ( 0.4741379 -0.2737437 0.3871320), wk = 0.0025974 k( 57) = ( 0.4827586 -0.2787208 0.3941708), wk = 0.0025974 k( 58) = ( 0.4913793 -0.2836980 0.4012095), wk = 0.0025974 k( 59) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0025974 k( 60) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0025974 k( 61) = ( 0.5000000 -0.2787208 0.4152871), wk = 0.0025974 k( 62) = ( 0.5000000 -0.2687665 0.4223258), wk = 0.0025974 k( 63) = ( 0.5000000 -0.2588122 0.4293646), wk = 0.0025974 k( 64) = ( 0.5000000 -0.2488579 0.4364033), wk = 0.0025974 k( 65) = ( 0.5000000 -0.2389036 0.4434421), wk = 0.0025974 k( 66) = ( 0.5000000 -0.2289492 0.4504809), wk = 0.0025974 k( 67) = ( 0.5000000 -0.2189949 0.4575196), wk = 0.0025974 k( 68) = ( 0.5000000 -0.2090406 0.4645584), wk = 0.0025974 k( 69) = ( 0.5000000 -0.1990863 0.4715972), wk = 0.0025974 k( 70) = ( 0.5000000 -0.1891320 0.4786359), wk = 0.0025974 k( 71) = ( 0.5000000 -0.1791777 0.4856747), wk = 0.0025974 k( 72) = ( 0.5000000 -0.1692233 0.4927135), wk = 0.0025974 k( 73) = ( 0.5000000 -0.1592690 0.4997522), wk = 0.0025974 k( 74) = ( 0.5000000 -0.1493147 0.5067910), wk = 0.0025974 k( 75) = ( 0.5000000 -0.1393604 0.5138297), wk = 0.0025974 k( 76) = ( 0.5000000 -0.1294061 0.5208685), wk = 0.0025974 k( 77) = ( 0.5000000 -0.1194518 0.5279073), wk = 0.0025974 k( 78) = ( 0.5000000 -0.1094975 0.5349460), wk = 0.0025974 k( 79) = ( 0.5000000 -0.0995432 0.5419848), wk = 0.0025974 k( 80) = ( 0.5000000 -0.0895888 0.5490236), wk = 0.0025974 k( 81) = ( 0.5000000 -0.0796345 0.5560623), wk = 0.0025974 k( 82) = ( 0.5000000 -0.0696802 0.5631011), wk = 0.0025974 k( 83) = ( 0.5000000 -0.0597259 0.5701399), wk = 0.0025974 k( 84) = ( 0.5000000 -0.0497716 0.5771786), wk = 0.0025974 k( 85) = ( 0.5000000 -0.0398173 0.5842174), wk = 0.0025974 k( 86) = ( 0.5000000 -0.0298629 0.5912561), wk = 0.0025974 k( 87) = ( 0.5000000 -0.0199086 0.5982949), wk = 0.0025974 k( 88) = ( 0.5000000 -0.0099543 0.6053337), wk = 0.0025974 k( 89) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0025974 k( 90) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0025974 k( 91) = ( 0.4940476 0.0103098 0.6123724), wk = 0.0025974 k( 92) = ( 0.4880952 0.0206196 0.6123724), wk = 0.0025974 k( 93) = ( 0.4821429 0.0309295 0.6123724), wk = 0.0025974 k( 94) = ( 0.4761905 0.0412393 0.6123724), wk = 0.0025974 k( 95) = ( 0.4702381 0.0515491 0.6123724), wk = 0.0025974 k( 96) = ( 0.4642857 0.0618590 0.6123724), wk = 0.0025974 k( 97) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0025974 k( 98) = ( 0.4523810 0.0824786 0.6123724), wk = 0.0025974 k( 99) = ( 0.4464286 0.0927884 0.6123724), wk = 0.0025974 k( 100) = ( 0.4404762 0.1030983 0.6123724), wk = 0.0025974 k( 101) = ( 0.4345238 0.1134081 0.6123724), wk = 0.0025974 k( 102) = ( 0.4285714 0.1237179 0.6123724), wk = 0.0025974 k( 103) = ( 0.4226190 0.1340277 0.6123724), wk = 0.0025974 k( 104) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0025974 k( 105) = ( 0.4107143 0.1546474 0.6123724), wk = 0.0025974 k( 106) = ( 0.4047619 0.1649572 0.6123724), wk = 0.0025974 k( 107) = ( 0.3988095 0.1752671 0.6123724), wk = 0.0025974 k( 108) = ( 0.3928571 0.1855769 0.6123724), wk = 0.0025974 k( 109) = ( 0.3869048 0.1958867 0.6123724), wk = 0.0025974 k( 110) = ( 0.3809524 0.2061965 0.6123724), wk = 0.0025974 k( 111) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0025974 k( 112) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0025974 k( 113) = ( 0.3689516 0.2130143 0.6024955), wk = 0.0025974 k( 114) = ( 0.3629032 0.2095223 0.5926185), wk = 0.0025974 k( 115) = ( 0.3568548 0.2060302 0.5827415), wk = 0.0025974 k( 116) = ( 0.3508064 0.2025382 0.5728645), wk = 0.0025974 k( 117) = ( 0.3447581 0.1990462 0.5629876), wk = 0.0025974 k( 118) = ( 0.3387097 0.1955541 0.5531106), wk = 0.0025974 k( 119) = ( 0.3326613 0.1920621 0.5432336), wk = 0.0025974 k( 120) = ( 0.3266129 0.1885700 0.5333566), wk = 0.0025974 k( 121) = ( 0.3205645 0.1850780 0.5234797), wk = 0.0025974 k( 122) = ( 0.3145161 0.1815860 0.5136027), wk = 0.0025974 k( 123) = ( 0.3084677 0.1780939 0.5037257), wk = 0.0025974 k( 124) = ( 0.3024193 0.1746019 0.4938487), wk = 0.0025974 k( 125) = ( 0.2963710 0.1711099 0.4839718), wk = 0.0025974 k( 126) = ( 0.2903226 0.1676178 0.4740948), wk = 0.0025974 k( 127) = ( 0.2842742 0.1641258 0.4642178), wk = 0.0025974 k( 128) = ( 0.2782258 0.1606337 0.4543408), wk = 0.0025974 k( 129) = ( 0.2721774 0.1571417 0.4444639), wk = 0.0025974 k( 130) = ( 0.2661290 0.1536497 0.4345869), wk = 0.0025974 k( 131) = ( 0.2600807 0.1501576 0.4247099), wk = 0.0025974 k( 132) = ( 0.2540323 0.1466656 0.4148329), wk = 0.0025974 k( 133) = ( 0.2479839 0.1431736 0.4049560), wk = 0.0025974 k( 134) = ( 0.2419355 0.1396815 0.3950790), wk = 0.0025974 k( 135) = ( 0.2358871 0.1361895 0.3852020), wk = 0.0025974 k( 136) = ( 0.2298387 0.1326974 0.3753250), wk = 0.0025974 k( 137) = ( 0.2237903 0.1292054 0.3654481), wk = 0.0025974 k( 138) = ( 0.2177419 0.1257134 0.3555711), wk = 0.0025974 k( 139) = ( 0.2116936 0.1222213 0.3456941), wk = 0.0025974 k( 140) = ( 0.2056452 0.1187293 0.3358171), wk = 0.0025974 k( 141) = ( 0.1995968 0.1152372 0.3259402), wk = 0.0025974 k( 142) = ( 0.1935484 0.1117452 0.3160632), wk = 0.0025974 k( 143) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0025974 k( 144) = ( 0.1814516 0.1047611 0.2963093), wk = 0.0025974 k( 145) = ( 0.1754032 0.1012691 0.2864323), wk = 0.0025974 k( 146) = ( 0.1693548 0.0977771 0.2765553), wk = 0.0025974 k( 147) = ( 0.1633064 0.0942850 0.2666783), wk = 0.0025974 k( 148) = ( 0.1572581 0.0907930 0.2568013), wk = 0.0025974 k( 149) = ( 0.1512097 0.0873009 0.2469244), wk = 0.0025974 k( 150) = ( 0.1451613 0.0838089 0.2370474), wk = 0.0025974 k( 151) = ( 0.1391129 0.0803169 0.2271704), wk = 0.0025974 k( 152) = ( 0.1330645 0.0768248 0.2172934), wk = 0.0025974 k( 153) = ( 0.1270161 0.0733328 0.2074165), wk = 0.0025974 k( 154) = ( 0.1209677 0.0698408 0.1975395), wk = 0.0025974 k( 155) = ( 0.1149194 0.0663487 0.1876625), wk = 0.0025974 k( 156) = ( 0.1088710 0.0628567 0.1777855), wk = 0.0025974 k( 157) = ( 0.1028226 0.0593646 0.1679086), wk = 0.0025974 k( 158) = ( 0.0967742 0.0558726 0.1580316), wk = 0.0025974 k( 159) = ( 0.0907258 0.0523806 0.1481546), wk = 0.0025974 k( 160) = ( 0.0846774 0.0488885 0.1382776), wk = 0.0025974 k( 161) = ( 0.0786290 0.0453965 0.1284007), wk = 0.0025974 k( 162) = ( 0.0725806 0.0419045 0.1185237), wk = 0.0025974 k( 163) = ( 0.0665323 0.0384124 0.1086467), wk = 0.0025974 k( 164) = ( 0.0604839 0.0349204 0.0987697), wk = 0.0025974 k( 165) = ( 0.0544355 0.0314283 0.0888928), wk = 0.0025974 k( 166) = ( 0.0483871 0.0279363 0.0790158), wk = 0.0025974 k( 167) = ( 0.0423387 0.0244443 0.0691388), wk = 0.0025974 k( 168) = ( 0.0362903 0.0209522 0.0592619), wk = 0.0025974 k( 169) = ( 0.0302419 0.0174602 0.0493849), wk = 0.0025974 k( 170) = ( 0.0241936 0.0139682 0.0395079), wk = 0.0025974 k( 171) = ( 0.0181452 0.0104761 0.0296309), wk = 0.0025974 k( 172) = ( 0.0120968 0.0069841 0.0197540), wk = 0.0025974 k( 173) = ( 0.0060484 0.0034920 0.0098770), wk = 0.0025974 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025974 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025974 k( 176) = ( 0.0100000 0.0057735 0.0040825), wk = 0.0025974 k( 177) = ( 0.0200000 0.0115470 0.0081650), wk = 0.0025974 k( 178) = ( 0.0300000 0.0173205 0.0122474), wk = 0.0025974 k( 179) = ( 0.0400000 0.0230940 0.0163299), wk = 0.0025974 k( 180) = ( 0.0500000 0.0288675 0.0204124), wk = 0.0025974 k( 181) = ( 0.0600000 0.0346410 0.0244949), wk = 0.0025974 k( 182) = ( 0.0700000 0.0404145 0.0285774), wk = 0.0025974 k( 183) = ( 0.0800000 0.0461880 0.0326599), wk = 0.0025974 k( 184) = ( 0.0900000 0.0519615 0.0367423), wk = 0.0025974 k( 185) = ( 0.1000000 0.0577350 0.0408248), wk = 0.0025974 k( 186) = ( 0.1100000 0.0635085 0.0449073), wk = 0.0025974 k( 187) = ( 0.1200000 0.0692820 0.0489898), wk = 0.0025974 k( 188) = ( 0.1300000 0.0750555 0.0530723), wk = 0.0025974 k( 189) = ( 0.1400000 0.0808290 0.0571548), wk = 0.0025974 k( 190) = ( 0.1500000 0.0866025 0.0612372), wk = 0.0025974 k( 191) = ( 0.1600000 0.0923760 0.0653197), wk = 0.0025974 k( 192) = ( 0.1700000 0.0981495 0.0694022), wk = 0.0025974 k( 193) = ( 0.1800000 0.1039230 0.0734847), wk = 0.0025974 k( 194) = ( 0.1900000 0.1096966 0.0775672), wk = 0.0025974 k( 195) = ( 0.2000000 0.1154701 0.0816497), wk = 0.0025974 k( 196) = ( 0.2100000 0.1212436 0.0857321), wk = 0.0025974 k( 197) = ( 0.2200000 0.1270171 0.0898146), wk = 0.0025974 k( 198) = ( 0.2300000 0.1327906 0.0938971), wk = 0.0025974 k( 199) = ( 0.2400000 0.1385641 0.0979796), wk = 0.0025974 k( 200) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0025974 k( 201) = ( 0.2600000 0.1501111 0.1061446), wk = 0.0025974 k( 202) = ( 0.2700000 0.1558846 0.1102270), wk = 0.0025974 k( 203) = ( 0.2800000 0.1616581 0.1143095), wk = 0.0025974 k( 204) = ( 0.2900000 0.1674316 0.1183920), wk = 0.0025974 k( 205) = ( 0.3000000 0.1732051 0.1224745), wk = 0.0025974 k( 206) = ( 0.3100000 0.1789786 0.1265570), wk = 0.0025974 k( 207) = ( 0.3200000 0.1847521 0.1306395), wk = 0.0025974 k( 208) = ( 0.3300000 0.1905256 0.1347219), wk = 0.0025974 k( 209) = ( 0.3400000 0.1962991 0.1388044), wk = 0.0025974 k( 210) = ( 0.3500000 0.2020726 0.1428869), wk = 0.0025974 k( 211) = ( 0.3600000 0.2078461 0.1469694), wk = 0.0025974 k( 212) = ( 0.3700000 0.2136196 0.1510519), wk = 0.0025974 k( 213) = ( 0.3800000 0.2193931 0.1551344), wk = 0.0025974 k( 214) = ( 0.3900000 0.2251666 0.1592168), wk = 0.0025974 k( 215) = ( 0.4000000 0.2309401 0.1632993), wk = 0.0025974 k( 216) = ( 0.4100000 0.2367136 0.1673818), wk = 0.0025974 k( 217) = ( 0.4200000 0.2424871 0.1714643), wk = 0.0025974 k( 218) = ( 0.4300000 0.2482606 0.1755468), wk = 0.0025974 k( 219) = ( 0.4400000 0.2540341 0.1796292), wk = 0.0025974 k( 220) = ( 0.4500000 0.2598076 0.1837117), wk = 0.0025974 k( 221) = ( 0.4600000 0.2655811 0.1877942), wk = 0.0025974 k( 222) = ( 0.4700000 0.2713546 0.1918767), wk = 0.0025974 k( 223) = ( 0.4800000 0.2771281 0.1959592), wk = 0.0025974 k( 224) = ( 0.4900000 0.2829016 0.2000417), wk = 0.0025974 k( 225) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025974 k( 226) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025974 k( 227) = ( 0.5034722 0.2786517 0.2097943), wk = 0.0025974 k( 228) = ( 0.5069444 0.2686283 0.2154644), wk = 0.0025974 k( 229) = ( 0.5104167 0.2586048 0.2211345), wk = 0.0025974 k( 230) = ( 0.5138889 0.2485814 0.2268046), wk = 0.0025974 k( 231) = ( 0.5173611 0.2385579 0.2324747), wk = 0.0025974 k( 232) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0025974 k( 233) = ( 0.5243056 0.2185110 0.2438150), wk = 0.0025974 k( 234) = ( 0.5277778 0.2084876 0.2494851), wk = 0.0025974 k( 235) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0025974 k( 236) = ( 0.5347222 0.1884407 0.2608253), wk = 0.0025974 k( 237) = ( 0.5381944 0.1784173 0.2664954), wk = 0.0025974 k( 238) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0025974 k( 239) = ( 0.5451389 0.1583704 0.2778356), wk = 0.0025974 k( 240) = ( 0.5486111 0.1483469 0.2835058), wk = 0.0025974 k( 241) = ( 0.5520833 0.1383235 0.2891759), wk = 0.0025974 k( 242) = ( 0.5555556 0.1283001 0.2948460), wk = 0.0025974 k( 243) = ( 0.5590278 0.1182766 0.3005161), wk = 0.0025974 k( 244) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0025974 k( 245) = ( 0.5659722 0.0982297 0.3118563), wk = 0.0025974 k( 246) = ( 0.5694444 0.0882063 0.3175264), wk = 0.0025974 k( 247) = ( 0.5729167 0.0781829 0.3231966), wk = 0.0025974 k( 248) = ( 0.5763889 0.0681594 0.3288667), wk = 0.0025974 k( 249) = ( 0.5798611 0.0581360 0.3345368), wk = 0.0025974 k( 250) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0025974 k( 251) = ( 0.5868056 0.0380891 0.3458770), wk = 0.0025974 k( 252) = ( 0.5902778 0.0280656 0.3515471), wk = 0.0025974 k( 253) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0025974 k( 254) = ( 0.5972222 0.0080188 0.3628874), wk = 0.0025974 k( 255) = ( 0.6006944 -0.0020047 0.3685575), wk = 0.0025974 k( 256) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0025974 k( 257) = ( 0.6076389 -0.0220516 0.3798977), wk = 0.0025974 k( 258) = ( 0.6111111 -0.0320750 0.3855678), wk = 0.0025974 k( 259) = ( 0.6145833 -0.0420985 0.3912379), wk = 0.0025974 k( 260) = ( 0.6180556 -0.0521219 0.3969081), wk = 0.0025974 k( 261) = ( 0.6215278 -0.0621453 0.4025782), wk = 0.0025974 k( 262) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0025974 k( 263) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0025974 k( 264) = ( 0.6190476 -0.0687322 0.4179685), wk = 0.0025974 k( 265) = ( 0.6130952 -0.0652956 0.4276887), wk = 0.0025974 k( 266) = ( 0.6071429 -0.0618590 0.4374089), wk = 0.0025974 k( 267) = ( 0.6011905 -0.0584224 0.4471291), wk = 0.0025974 k( 268) = ( 0.5952381 -0.0549857 0.4568493), wk = 0.0025974 k( 269) = ( 0.5892857 -0.0515491 0.4665695), wk = 0.0025974 k( 270) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0025974 k( 271) = ( 0.5773810 -0.0446759 0.4860099), wk = 0.0025974 k( 272) = ( 0.5714286 -0.0412393 0.4957301), wk = 0.0025974 k( 273) = ( 0.5654762 -0.0378027 0.5054503), wk = 0.0025974 k( 274) = ( 0.5595238 -0.0343661 0.5151705), wk = 0.0025974 k( 275) = ( 0.5535714 -0.0309295 0.5248907), wk = 0.0025974 k( 276) = ( 0.5476190 -0.0274929 0.5346109), wk = 0.0025974 k( 277) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0025974 k( 278) = ( 0.5357143 -0.0206197 0.5540512), wk = 0.0025974 k( 279) = ( 0.5297619 -0.0171830 0.5637715), wk = 0.0025974 k( 280) = ( 0.5238095 -0.0137464 0.5734917), wk = 0.0025974 k( 281) = ( 0.5178571 -0.0103098 0.5832118), wk = 0.0025974 k( 282) = ( 0.5119048 -0.0068732 0.5929320), wk = 0.0025974 k( 283) = ( 0.5059524 -0.0034366 0.6026522), wk = 0.0025974 k( 284) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0025974 k( 285) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0025974 k( 286) = ( 0.5000000 0.0070409 0.6024152), wk = 0.0025974 k( 287) = ( 0.5000000 0.0140817 0.5924579), wk = 0.0025974 k( 288) = ( 0.5000000 0.0211226 0.5825006), wk = 0.0025974 k( 289) = ( 0.5000000 0.0281634 0.5725433), wk = 0.0025974 k( 290) = ( 0.5000000 0.0352043 0.5625861), wk = 0.0025974 k( 291) = ( 0.5000000 0.0422451 0.5526288), wk = 0.0025974 k( 292) = ( 0.5000000 0.0492860 0.5426715), wk = 0.0025974 k( 293) = ( 0.5000000 0.0563269 0.5327142), wk = 0.0025974 k( 294) = ( 0.5000000 0.0633677 0.5227570), wk = 0.0025974 k( 295) = ( 0.5000000 0.0704086 0.5127997), wk = 0.0025974 k( 296) = ( 0.5000000 0.0774494 0.5028424), wk = 0.0025974 k( 297) = ( 0.5000000 0.0844903 0.4928851), wk = 0.0025974 k( 298) = ( 0.5000000 0.0915311 0.4829279), wk = 0.0025974 k( 299) = ( 0.5000000 0.0985720 0.4729706), wk = 0.0025974 k( 300) = ( 0.5000000 0.1056128 0.4630133), wk = 0.0025974 k( 301) = ( 0.5000000 0.1126537 0.4530560), wk = 0.0025974 k( 302) = ( 0.5000000 0.1196946 0.4430987), wk = 0.0025974 k( 303) = ( 0.5000000 0.1267354 0.4331415), wk = 0.0025974 k( 304) = ( 0.5000000 0.1337763 0.4231842), wk = 0.0025974 k( 305) = ( 0.5000000 0.1408171 0.4132269), wk = 0.0025974 k( 306) = ( 0.5000000 0.1478580 0.4032697), wk = 0.0025974 k( 307) = ( 0.5000000 0.1548989 0.3933124), wk = 0.0025974 k( 308) = ( 0.5000000 0.1619397 0.3833551), wk = 0.0025974 k( 309) = ( 0.5000000 0.1689806 0.3733978), wk = 0.0025974 k( 310) = ( 0.5000000 0.1760214 0.3634406), wk = 0.0025974 k( 311) = ( 0.5000000 0.1830623 0.3534833), wk = 0.0025974 k( 312) = ( 0.5000000 0.1901031 0.3435260), wk = 0.0025974 k( 313) = ( 0.5000000 0.1971440 0.3335687), wk = 0.0025974 k( 314) = ( 0.5000000 0.2041849 0.3236114), wk = 0.0025974 k( 315) = ( 0.5000000 0.2112257 0.3136542), wk = 0.0025974 k( 316) = ( 0.5000000 0.2182666 0.3036969), wk = 0.0025974 k( 317) = ( 0.5000000 0.2253074 0.2937396), wk = 0.0025974 k( 318) = ( 0.5000000 0.2323483 0.2837824), wk = 0.0025974 k( 319) = ( 0.5000000 0.2393891 0.2738251), wk = 0.0025974 k( 320) = ( 0.5000000 0.2464300 0.2638678), wk = 0.0025974 k( 321) = ( 0.5000000 0.2534709 0.2539105), wk = 0.0025974 k( 322) = ( 0.5000000 0.2605117 0.2439532), wk = 0.0025974 k( 323) = ( 0.5000000 0.2675526 0.2339960), wk = 0.0025974 k( 324) = ( 0.5000000 0.2745934 0.2240387), wk = 0.0025974 k( 325) = ( 0.5000000 0.2816343 0.2140814), wk = 0.0025974 k( 326) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025974 k( 327) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025974 k( 328) = ( 0.4965278 0.2866704 0.2154644), wk = 0.0025974 k( 329) = ( 0.4930556 0.2846658 0.2268046), wk = 0.0025974 k( 330) = ( 0.4895833 0.2826611 0.2381448), wk = 0.0025974 k( 331) = ( 0.4861111 0.2806564 0.2494851), wk = 0.0025974 k( 332) = ( 0.4826389 0.2786517 0.2608253), wk = 0.0025974 k( 333) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0025974 k( 334) = ( 0.4756944 0.2746423 0.2835058), wk = 0.0025974 k( 335) = ( 0.4722222 0.2726376 0.2948460), wk = 0.0025974 k( 336) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0025974 k( 337) = ( 0.4652778 0.2686283 0.3175264), wk = 0.0025974 k( 338) = ( 0.4618056 0.2666236 0.3288667), wk = 0.0025974 k( 339) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0025974 k( 340) = ( 0.4548611 0.2626142 0.3515471), wk = 0.0025974 k( 341) = ( 0.4513889 0.2606095 0.3628874), wk = 0.0025974 k( 342) = ( 0.4479167 0.2586048 0.3742276), wk = 0.0025974 k( 343) = ( 0.4444444 0.2566001 0.3855678), wk = 0.0025974 k( 344) = ( 0.4409722 0.2545954 0.3969081), wk = 0.0025974 k( 345) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0025974 k( 346) = ( 0.4340278 0.2505861 0.4195885), wk = 0.0025974 k( 347) = ( 0.4305556 0.2485814 0.4309287), wk = 0.0025974 k( 348) = ( 0.4270833 0.2465767 0.4422690), wk = 0.0025974 k( 349) = ( 0.4236111 0.2445720 0.4536092), wk = 0.0025974 k( 350) = ( 0.4201389 0.2425673 0.4649494), wk = 0.0025974 k( 351) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0025974 k( 352) = ( 0.4131944 0.2385579 0.4876299), wk = 0.0025974 k( 353) = ( 0.4097222 0.2365532 0.4989701), wk = 0.0025974 k( 354) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0025974 k( 355) = ( 0.4027778 0.2325439 0.5216506), wk = 0.0025974 k( 356) = ( 0.3993056 0.2305392 0.5329908), wk = 0.0025974 k( 357) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0025974 k( 358) = ( 0.3923611 0.2265298 0.5556713), wk = 0.0025974 k( 359) = ( 0.3888889 0.2245251 0.5670115), wk = 0.0025974 k( 360) = ( 0.3854167 0.2225204 0.5783517), wk = 0.0025974 k( 361) = ( 0.3819444 0.2205157 0.5896920), wk = 0.0025974 k( 362) = ( 0.3784722 0.2185110 0.6010322), wk = 0.0025974 k( 363) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0025974 k( 364) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0025974 k( 365) = ( 0.6190476 -0.0824786 0.4082483), wk = 0.0025974 k( 366) = ( 0.6130952 -0.0927884 0.4082483), wk = 0.0025974 k( 367) = ( 0.6071429 -0.1030983 0.4082483), wk = 0.0025974 k( 368) = ( 0.6011905 -0.1134081 0.4082483), wk = 0.0025974 k( 369) = ( 0.5952381 -0.1237179 0.4082483), wk = 0.0025974 k( 370) = ( 0.5892857 -0.1340277 0.4082483), wk = 0.0025974 k( 371) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0025974 k( 372) = ( 0.5773810 -0.1546474 0.4082483), wk = 0.0025974 k( 373) = ( 0.5714286 -0.1649572 0.4082483), wk = 0.0025974 k( 374) = ( 0.5654762 -0.1752670 0.4082483), wk = 0.0025974 k( 375) = ( 0.5595238 -0.1855769 0.4082483), wk = 0.0025974 k( 376) = ( 0.5535714 -0.1958867 0.4082483), wk = 0.0025974 k( 377) = ( 0.5476190 -0.2061965 0.4082483), wk = 0.0025974 k( 378) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0025974 k( 379) = ( 0.5357143 -0.2268162 0.4082483), wk = 0.0025974 k( 380) = ( 0.5297619 -0.2371260 0.4082483), wk = 0.0025974 k( 381) = ( 0.5238095 -0.2474358 0.4082483), wk = 0.0025974 k( 382) = ( 0.5178571 -0.2577456 0.4082483), wk = 0.0025974 k( 383) = ( 0.5119048 -0.2680555 0.4082483), wk = 0.0025974 k( 384) = ( 0.5059524 -0.2783653 0.4082483), wk = 0.0025974 k( 385) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0025974 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025974 k( 2) = ( 0.0086207 0.0000000 0.0086207), wk = 0.0025974 k( 3) = ( 0.0172414 0.0000000 0.0172414), wk = 0.0025974 k( 4) = ( 0.0258621 0.0000000 0.0258621), wk = 0.0025974 k( 5) = ( 0.0344828 0.0000000 0.0344828), wk = 0.0025974 k( 6) = ( 0.0431035 0.0000000 0.0431035), wk = 0.0025974 k( 7) = ( 0.0517241 0.0000000 0.0517241), wk = 0.0025974 k( 8) = ( 0.0603448 0.0000000 0.0603448), wk = 0.0025974 k( 9) = ( 0.0689655 0.0000000 0.0689655), wk = 0.0025974 k( 10) = ( 0.0775862 0.0000000 0.0775862), wk = 0.0025974 k( 11) = ( 0.0862069 0.0000000 0.0862069), wk = 0.0025974 k( 12) = ( 0.0948276 0.0000000 0.0948276), wk = 0.0025974 k( 13) = ( 0.1034483 0.0000000 0.1034483), wk = 0.0025974 k( 14) = ( 0.1120690 0.0000000 0.1120690), wk = 0.0025974 k( 15) = ( 0.1206897 0.0000000 0.1206897), wk = 0.0025974 k( 16) = ( 0.1293103 0.0000000 0.1293103), wk = 0.0025974 k( 17) = ( 0.1379310 0.0000000 0.1379310), wk = 0.0025974 k( 18) = ( 0.1465517 0.0000000 0.1465517), wk = 0.0025974 k( 19) = ( 0.1551724 0.0000000 0.1551724), wk = 0.0025974 k( 20) = ( 0.1637931 0.0000000 0.1637931), wk = 0.0025974 k( 21) = ( 0.1724138 0.0000000 0.1724138), wk = 0.0025974 k( 22) = ( 0.1810345 0.0000000 0.1810345), wk = 0.0025974 k( 23) = ( 0.1896552 0.0000000 0.1896552), wk = 0.0025974 k( 24) = ( 0.1982759 0.0000000 0.1982759), wk = 0.0025974 k( 25) = ( 0.2068966 0.0000000 0.2068966), wk = 0.0025974 k( 26) = ( 0.2155172 0.0000000 0.2155172), wk = 0.0025974 k( 27) = ( 0.2241379 0.0000000 0.2241379), wk = 0.0025974 k( 28) = ( 0.2327586 0.0000000 0.2327586), wk = 0.0025974 k( 29) = ( 0.2413793 0.0000000 0.2413793), wk = 0.0025974 k( 30) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0025974 k( 31) = ( 0.2586207 0.0000000 0.2586207), wk = 0.0025974 k( 32) = ( 0.2672414 0.0000000 0.2672414), wk = 0.0025974 k( 33) = ( 0.2758621 0.0000000 0.2758621), wk = 0.0025974 k( 34) = ( 0.2844828 0.0000000 0.2844828), wk = 0.0025974 k( 35) = ( 0.2931034 0.0000000 0.2931034), wk = 0.0025974 k( 36) = ( 0.3017241 0.0000000 0.3017241), wk = 0.0025974 k( 37) = ( 0.3103448 -0.0000000 0.3103448), wk = 0.0025974 k( 38) = ( 0.3189655 0.0000000 0.3189655), wk = 0.0025974 k( 39) = ( 0.3275862 0.0000000 0.3275862), wk = 0.0025974 k( 40) = ( 0.3362069 0.0000000 0.3362069), wk = 0.0025974 k( 41) = ( 0.3448276 0.0000000 0.3448276), wk = 0.0025974 k( 42) = ( 0.3534483 0.0000000 0.3534483), wk = 0.0025974 k( 43) = ( 0.3620690 0.0000000 0.3620690), wk = 0.0025974 k( 44) = ( 0.3706897 0.0000000 0.3706897), wk = 0.0025974 k( 45) = ( 0.3793103 0.0000000 0.3793103), wk = 0.0025974 k( 46) = ( 0.3879310 0.0000000 0.3879310), wk = 0.0025974 k( 47) = ( 0.3965517 0.0000000 0.3965517), wk = 0.0025974 k( 48) = ( 0.4051724 0.0000000 0.4051724), wk = 0.0025974 k( 49) = ( 0.4137931 0.0000000 0.4137931), wk = 0.0025974 k( 50) = ( 0.4224138 0.0000000 0.4224138), wk = 0.0025974 k( 51) = ( 0.4310345 0.0000000 0.4310345), wk = 0.0025974 k( 52) = ( 0.4396552 0.0000000 0.4396552), wk = 0.0025974 k( 53) = ( 0.4482759 0.0000000 0.4482759), wk = 0.0025974 k( 54) = ( 0.4568966 0.0000000 0.4568965), wk = 0.0025974 k( 55) = ( 0.4655172 0.0000000 0.4655172), wk = 0.0025974 k( 56) = ( 0.4741379 0.0000000 0.4741379), wk = 0.0025974 k( 57) = ( 0.4827586 0.0000000 0.4827586), wk = 0.0025974 k( 58) = ( 0.4913793 0.0000000 0.4913793), wk = 0.0025974 k( 59) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025974 k( 60) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025974 k( 61) = ( 0.5000000 0.0086207 0.5086207), wk = 0.0025974 k( 62) = ( 0.5000000 0.0172414 0.5172414), wk = 0.0025974 k( 63) = ( 0.5000000 0.0258621 0.5258621), wk = 0.0025974 k( 64) = ( 0.5000000 0.0344828 0.5344828), wk = 0.0025974 k( 65) = ( 0.5000000 0.0431035 0.5431035), wk = 0.0025974 k( 66) = ( 0.5000000 0.0517241 0.5517241), wk = 0.0025974 k( 67) = ( 0.5000000 0.0603448 0.5603448), wk = 0.0025974 k( 68) = ( 0.5000000 0.0689655 0.5689655), wk = 0.0025974 k( 69) = ( 0.5000000 0.0775862 0.5775862), wk = 0.0025974 k( 70) = ( 0.5000000 0.0862069 0.5862069), wk = 0.0025974 k( 71) = ( 0.5000000 0.0948276 0.5948276), wk = 0.0025974 k( 72) = ( 0.5000000 0.1034483 0.6034483), wk = 0.0025974 k( 73) = ( 0.5000000 0.1120690 0.6120690), wk = 0.0025974 k( 74) = ( 0.5000000 0.1206897 0.6206897), wk = 0.0025974 k( 75) = ( 0.5000000 0.1293103 0.6293103), wk = 0.0025974 k( 76) = ( 0.5000000 0.1379310 0.6379310), wk = 0.0025974 k( 77) = ( 0.5000000 0.1465517 0.6465517), wk = 0.0025974 k( 78) = ( 0.5000000 0.1551724 0.6551724), wk = 0.0025974 k( 79) = ( 0.5000000 0.1637931 0.6637931), wk = 0.0025974 k( 80) = ( 0.5000000 0.1724138 0.6724138), wk = 0.0025974 k( 81) = ( 0.5000000 0.1810345 0.6810345), wk = 0.0025974 k( 82) = ( 0.5000000 0.1896552 0.6896552), wk = 0.0025974 k( 83) = ( 0.5000000 0.1982759 0.6982759), wk = 0.0025974 k( 84) = ( 0.5000000 0.2068966 0.7068965), wk = 0.0025974 k( 85) = ( 0.5000000 0.2155172 0.7155172), wk = 0.0025974 k( 86) = ( 0.5000000 0.2241379 0.7241379), wk = 0.0025974 k( 87) = ( 0.5000000 0.2327586 0.7327586), wk = 0.0025974 k( 88) = ( 0.5000000 0.2413793 0.7413793), wk = 0.0025974 k( 89) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025974 k( 90) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025974 k( 91) = ( 0.4940476 0.2559524 0.7500000), wk = 0.0025974 k( 92) = ( 0.4880952 0.2619048 0.7500000), wk = 0.0025974 k( 93) = ( 0.4821429 0.2678571 0.7500000), wk = 0.0025974 k( 94) = ( 0.4761905 0.2738095 0.7500000), wk = 0.0025974 k( 95) = ( 0.4702381 0.2797619 0.7500000), wk = 0.0025974 k( 96) = ( 0.4642857 0.2857143 0.7500000), wk = 0.0025974 k( 97) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0025974 k( 98) = ( 0.4523810 0.2976190 0.7500000), wk = 0.0025974 k( 99) = ( 0.4464286 0.3035714 0.7500000), wk = 0.0025974 k( 100) = ( 0.4404762 0.3095238 0.7500000), wk = 0.0025974 k( 101) = ( 0.4345238 0.3154762 0.7500000), wk = 0.0025974 k( 102) = ( 0.4285714 0.3214286 0.7500000), wk = 0.0025974 k( 103) = ( 0.4226190 0.3273810 0.7500000), wk = 0.0025974 k( 104) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0025974 k( 105) = ( 0.4107143 0.3392857 0.7500000), wk = 0.0025974 k( 106) = ( 0.4047619 0.3452381 0.7500000), wk = 0.0025974 k( 107) = ( 0.3988095 0.3511905 0.7500000), wk = 0.0025974 k( 108) = ( 0.3928571 0.3571429 0.7500000), wk = 0.0025974 k( 109) = ( 0.3869048 0.3630952 0.7500000), wk = 0.0025974 k( 110) = ( 0.3809524 0.3690476 0.7500000), wk = 0.0025974 k( 111) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0025974 k( 112) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0025974 k( 113) = ( 0.3689516 0.3689516 0.7379032), wk = 0.0025974 k( 114) = ( 0.3629032 0.3629032 0.7258064), wk = 0.0025974 k( 115) = ( 0.3568548 0.3568548 0.7137097), wk = 0.0025974 k( 116) = ( 0.3508064 0.3508065 0.7016129), wk = 0.0025974 k( 117) = ( 0.3447581 0.3447581 0.6895161), wk = 0.0025974 k( 118) = ( 0.3387097 0.3387097 0.6774193), wk = 0.0025974 k( 119) = ( 0.3326613 0.3326613 0.6653226), wk = 0.0025974 k( 120) = ( 0.3266129 0.3266129 0.6532258), wk = 0.0025974 k( 121) = ( 0.3205645 0.3205645 0.6411290), wk = 0.0025974 k( 122) = ( 0.3145161 0.3145161 0.6290323), wk = 0.0025974 k( 123) = ( 0.3084677 0.3084677 0.6169355), wk = 0.0025974 k( 124) = ( 0.3024193 0.3024193 0.6048387), wk = 0.0025974 k( 125) = ( 0.2963710 0.2963710 0.5927419), wk = 0.0025974 k( 126) = ( 0.2903226 0.2903226 0.5806452), wk = 0.0025974 k( 127) = ( 0.2842742 0.2842742 0.5685484), wk = 0.0025974 k( 128) = ( 0.2782258 0.2782258 0.5564516), wk = 0.0025974 k( 129) = ( 0.2721774 0.2721774 0.5443548), wk = 0.0025974 k( 130) = ( 0.2661290 0.2661290 0.5322581), wk = 0.0025974 k( 131) = ( 0.2600807 0.2600807 0.5201613), wk = 0.0025974 k( 132) = ( 0.2540323 0.2540323 0.5080645), wk = 0.0025974 k( 133) = ( 0.2479839 0.2479839 0.4959677), wk = 0.0025974 k( 134) = ( 0.2419355 0.2419355 0.4838710), wk = 0.0025974 k( 135) = ( 0.2358871 0.2358871 0.4717742), wk = 0.0025974 k( 136) = ( 0.2298387 0.2298387 0.4596774), wk = 0.0025974 k( 137) = ( 0.2237903 0.2237903 0.4475806), wk = 0.0025974 k( 138) = ( 0.2177419 0.2177419 0.4354839), wk = 0.0025974 k( 139) = ( 0.2116936 0.2116936 0.4233871), wk = 0.0025974 k( 140) = ( 0.2056452 0.2056452 0.4112903), wk = 0.0025974 k( 141) = ( 0.1995968 0.1995968 0.3991936), wk = 0.0025974 k( 142) = ( 0.1935484 0.1935484 0.3870968), wk = 0.0025974 k( 143) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0025974 k( 144) = ( 0.1814516 0.1814516 0.3629032), wk = 0.0025974 k( 145) = ( 0.1754032 0.1754032 0.3508064), wk = 0.0025974 k( 146) = ( 0.1693548 0.1693548 0.3387097), wk = 0.0025974 k( 147) = ( 0.1633064 0.1633064 0.3266129), wk = 0.0025974 k( 148) = ( 0.1572581 0.1572581 0.3145161), wk = 0.0025974 k( 149) = ( 0.1512097 0.1512097 0.3024193), wk = 0.0025974 k( 150) = ( 0.1451613 0.1451613 0.2903226), wk = 0.0025974 k( 151) = ( 0.1391129 0.1391129 0.2782258), wk = 0.0025974 k( 152) = ( 0.1330645 0.1330645 0.2661290), wk = 0.0025974 k( 153) = ( 0.1270161 0.1270161 0.2540323), wk = 0.0025974 k( 154) = ( 0.1209677 0.1209677 0.2419355), wk = 0.0025974 k( 155) = ( 0.1149194 0.1149194 0.2298387), wk = 0.0025974 k( 156) = ( 0.1088710 0.1088710 0.2177419), wk = 0.0025974 k( 157) = ( 0.1028226 0.1028226 0.2056452), wk = 0.0025974 k( 158) = ( 0.0967742 0.0967742 0.1935484), wk = 0.0025974 k( 159) = ( 0.0907258 0.0907258 0.1814516), wk = 0.0025974 k( 160) = ( 0.0846774 0.0846774 0.1693548), wk = 0.0025974 k( 161) = ( 0.0786290 0.0786290 0.1572581), wk = 0.0025974 k( 162) = ( 0.0725806 0.0725806 0.1451613), wk = 0.0025974 k( 163) = ( 0.0665323 0.0665323 0.1330645), wk = 0.0025974 k( 164) = ( 0.0604839 0.0604839 0.1209677), wk = 0.0025974 k( 165) = ( 0.0544355 0.0544355 0.1088710), wk = 0.0025974 k( 166) = ( 0.0483871 0.0483871 0.0967742), wk = 0.0025974 k( 167) = ( 0.0423387 0.0423387 0.0846774), wk = 0.0025974 k( 168) = ( 0.0362903 0.0362903 0.0725806), wk = 0.0025974 k( 169) = ( 0.0302419 0.0302419 0.0604839), wk = 0.0025974 k( 170) = ( 0.0241936 0.0241936 0.0483871), wk = 0.0025974 k( 171) = ( 0.0181452 0.0181452 0.0362903), wk = 0.0025974 k( 172) = ( 0.0120968 0.0120968 0.0241935), wk = 0.0025974 k( 173) = ( 0.0060484 0.0060484 0.0120968), wk = 0.0025974 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025974 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025974 k( 176) = ( 0.0100000 0.0100000 0.0100000), wk = 0.0025974 k( 177) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0025974 k( 178) = ( 0.0300000 0.0300000 0.0300000), wk = 0.0025974 k( 179) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0025974 k( 180) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0025974 k( 181) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0025974 k( 182) = ( 0.0700000 0.0700000 0.0700000), wk = 0.0025974 k( 183) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0025974 k( 184) = ( 0.0900000 0.0900000 0.0900000), wk = 0.0025974 k( 185) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0025974 k( 186) = ( 0.1100000 0.1100000 0.1100000), wk = 0.0025974 k( 187) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0025974 k( 188) = ( 0.1300000 0.1300000 0.1300000), wk = 0.0025974 k( 189) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0025974 k( 190) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0025974 k( 191) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0025974 k( 192) = ( 0.1700000 0.1700000 0.1700000), wk = 0.0025974 k( 193) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0025974 k( 194) = ( 0.1900000 0.1900000 0.1900000), wk = 0.0025974 k( 195) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0025974 k( 196) = ( 0.2100000 0.2100000 0.2100000), wk = 0.0025974 k( 197) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0025974 k( 198) = ( 0.2300000 0.2300000 0.2300000), wk = 0.0025974 k( 199) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0025974 k( 200) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025974 k( 201) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0025974 k( 202) = ( 0.2700000 0.2700000 0.2700000), wk = 0.0025974 k( 203) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0025974 k( 204) = ( 0.2900000 0.2900000 0.2900000), wk = 0.0025974 k( 205) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0025974 k( 206) = ( 0.3100000 0.3100000 0.3100000), wk = 0.0025974 k( 207) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0025974 k( 208) = ( 0.3300000 0.3300000 0.3300000), wk = 0.0025974 k( 209) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0025974 k( 210) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0025974 k( 211) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0025974 k( 212) = ( 0.3700000 0.3700000 0.3700000), wk = 0.0025974 k( 213) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0025974 k( 214) = ( 0.3900000 0.3900000 0.3900000), wk = 0.0025974 k( 215) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0025974 k( 216) = ( 0.4100000 0.4100000 0.4100000), wk = 0.0025974 k( 217) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0025974 k( 218) = ( 0.4300000 0.4300000 0.4300000), wk = 0.0025974 k( 219) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0025974 k( 220) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0025974 k( 221) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0025974 k( 222) = ( 0.4700000 0.4700000 0.4700000), wk = 0.0025974 k( 223) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0025974 k( 224) = ( 0.4900000 0.4900000 0.4900000), wk = 0.0025974 k( 225) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025974 k( 226) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025974 k( 227) = ( 0.5034722 0.4930556 0.5034722), wk = 0.0025974 k( 228) = ( 0.5069444 0.4861111 0.5069444), wk = 0.0025974 k( 229) = ( 0.5104167 0.4791667 0.5104167), wk = 0.0025974 k( 230) = ( 0.5138889 0.4722222 0.5138889), wk = 0.0025974 k( 231) = ( 0.5173611 0.4652778 0.5173611), wk = 0.0025974 k( 232) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0025974 k( 233) = ( 0.5243056 0.4513889 0.5243056), wk = 0.0025974 k( 234) = ( 0.5277778 0.4444444 0.5277778), wk = 0.0025974 k( 235) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0025974 k( 236) = ( 0.5347222 0.4305556 0.5347222), wk = 0.0025974 k( 237) = ( 0.5381944 0.4236111 0.5381944), wk = 0.0025974 k( 238) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0025974 k( 239) = ( 0.5451389 0.4097222 0.5451389), wk = 0.0025974 k( 240) = ( 0.5486111 0.4027778 0.5486111), wk = 0.0025974 k( 241) = ( 0.5520833 0.3958333 0.5520833), wk = 0.0025974 k( 242) = ( 0.5555556 0.3888889 0.5555556), wk = 0.0025974 k( 243) = ( 0.5590278 0.3819444 0.5590278), wk = 0.0025974 k( 244) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0025974 k( 245) = ( 0.5659722 0.3680556 0.5659722), wk = 0.0025974 k( 246) = ( 0.5694444 0.3611111 0.5694444), wk = 0.0025974 k( 247) = ( 0.5729167 0.3541667 0.5729167), wk = 0.0025974 k( 248) = ( 0.5763889 0.3472222 0.5763889), wk = 0.0025974 k( 249) = ( 0.5798611 0.3402778 0.5798611), wk = 0.0025974 k( 250) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0025974 k( 251) = ( 0.5868056 0.3263889 0.5868056), wk = 0.0025974 k( 252) = ( 0.5902778 0.3194444 0.5902778), wk = 0.0025974 k( 253) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0025974 k( 254) = ( 0.5972222 0.3055556 0.5972222), wk = 0.0025974 k( 255) = ( 0.6006944 0.2986111 0.6006944), wk = 0.0025974 k( 256) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0025974 k( 257) = ( 0.6076389 0.2847222 0.6076389), wk = 0.0025974 k( 258) = ( 0.6111111 0.2777778 0.6111111), wk = 0.0025974 k( 259) = ( 0.6145833 0.2708333 0.6145833), wk = 0.0025974 k( 260) = ( 0.6180556 0.2638889 0.6180556), wk = 0.0025974 k( 261) = ( 0.6215278 0.2569444 0.6215278), wk = 0.0025974 k( 262) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0025974 k( 263) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0025974 k( 264) = ( 0.6190476 0.2500000 0.6309524), wk = 0.0025974 k( 265) = ( 0.6130952 0.2500000 0.6369048), wk = 0.0025974 k( 266) = ( 0.6071429 0.2500000 0.6428571), wk = 0.0025974 k( 267) = ( 0.6011905 0.2500000 0.6488095), wk = 0.0025974 k( 268) = ( 0.5952381 0.2500000 0.6547619), wk = 0.0025974 k( 269) = ( 0.5892857 0.2500000 0.6607143), wk = 0.0025974 k( 270) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0025974 k( 271) = ( 0.5773810 0.2500000 0.6726190), wk = 0.0025974 k( 272) = ( 0.5714286 0.2500000 0.6785714), wk = 0.0025974 k( 273) = ( 0.5654762 0.2500000 0.6845238), wk = 0.0025974 k( 274) = ( 0.5595238 0.2500000 0.6904762), wk = 0.0025974 k( 275) = ( 0.5535714 0.2500000 0.6964286), wk = 0.0025974 k( 276) = ( 0.5476190 0.2500000 0.7023810), wk = 0.0025974 k( 277) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0025974 k( 278) = ( 0.5357143 0.2500000 0.7142857), wk = 0.0025974 k( 279) = ( 0.5297619 0.2500000 0.7202381), wk = 0.0025974 k( 280) = ( 0.5238095 0.2500000 0.7261905), wk = 0.0025974 k( 281) = ( 0.5178571 0.2500000 0.7321429), wk = 0.0025974 k( 282) = ( 0.5119048 0.2500000 0.7380952), wk = 0.0025974 k( 283) = ( 0.5059524 0.2500000 0.7440476), wk = 0.0025974 k( 284) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025974 k( 285) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025974 k( 286) = ( 0.5000000 0.2560976 0.7439024), wk = 0.0025974 k( 287) = ( 0.5000000 0.2621951 0.7378049), wk = 0.0025974 k( 288) = ( 0.5000000 0.2682927 0.7317073), wk = 0.0025974 k( 289) = ( 0.5000000 0.2743902 0.7256098), wk = 0.0025974 k( 290) = ( 0.5000000 0.2804878 0.7195122), wk = 0.0025974 k( 291) = ( 0.5000000 0.2865854 0.7134146), wk = 0.0025974 k( 292) = ( 0.5000000 0.2926829 0.7073171), wk = 0.0025974 k( 293) = ( 0.5000000 0.2987805 0.7012195), wk = 0.0025974 k( 294) = ( 0.5000000 0.3048781 0.6951219), wk = 0.0025974 k( 295) = ( 0.5000000 0.3109756 0.6890244), wk = 0.0025974 k( 296) = ( 0.5000000 0.3170732 0.6829268), wk = 0.0025974 k( 297) = ( 0.5000000 0.3231707 0.6768293), wk = 0.0025974 k( 298) = ( 0.5000000 0.3292683 0.6707317), wk = 0.0025974 k( 299) = ( 0.5000000 0.3353659 0.6646341), wk = 0.0025974 k( 300) = ( 0.5000000 0.3414634 0.6585366), wk = 0.0025974 k( 301) = ( 0.5000000 0.3475610 0.6524390), wk = 0.0025974 k( 302) = ( 0.5000000 0.3536585 0.6463415), wk = 0.0025974 k( 303) = ( 0.5000000 0.3597561 0.6402439), wk = 0.0025974 k( 304) = ( 0.5000000 0.3658537 0.6341463), wk = 0.0025974 k( 305) = ( 0.5000000 0.3719512 0.6280488), wk = 0.0025974 k( 306) = ( 0.5000000 0.3780488 0.6219512), wk = 0.0025974 k( 307) = ( 0.5000000 0.3841463 0.6158537), wk = 0.0025974 k( 308) = ( 0.5000000 0.3902439 0.6097561), wk = 0.0025974 k( 309) = ( 0.5000000 0.3963415 0.6036585), wk = 0.0025974 k( 310) = ( 0.5000000 0.4024390 0.5975610), wk = 0.0025974 k( 311) = ( 0.5000000 0.4085366 0.5914634), wk = 0.0025974 k( 312) = ( 0.5000000 0.4146342 0.5853658), wk = 0.0025974 k( 313) = ( 0.5000000 0.4207317 0.5792683), wk = 0.0025974 k( 314) = ( 0.5000000 0.4268293 0.5731707), wk = 0.0025974 k( 315) = ( 0.5000000 0.4329268 0.5670732), wk = 0.0025974 k( 316) = ( 0.5000000 0.4390244 0.5609756), wk = 0.0025974 k( 317) = ( 0.5000000 0.4451220 0.5548781), wk = 0.0025974 k( 318) = ( 0.5000000 0.4512195 0.5487805), wk = 0.0025974 k( 319) = ( 0.5000000 0.4573171 0.5426829), wk = 0.0025974 k( 320) = ( 0.5000000 0.4634146 0.5365854), wk = 0.0025974 k( 321) = ( 0.5000000 0.4695122 0.5304878), wk = 0.0025974 k( 322) = ( 0.5000000 0.4756098 0.5243902), wk = 0.0025974 k( 323) = ( 0.5000000 0.4817073 0.5182927), wk = 0.0025974 k( 324) = ( 0.5000000 0.4878049 0.5121951), wk = 0.0025974 k( 325) = ( 0.5000000 0.4939024 0.5060976), wk = 0.0025974 k( 326) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025974 k( 327) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025974 k( 328) = ( 0.4965278 0.4965278 0.5069444), wk = 0.0025974 k( 329) = ( 0.4930556 0.4930556 0.5138889), wk = 0.0025974 k( 330) = ( 0.4895833 0.4895833 0.5208333), wk = 0.0025974 k( 331) = ( 0.4861111 0.4861111 0.5277778), wk = 0.0025974 k( 332) = ( 0.4826389 0.4826389 0.5347222), wk = 0.0025974 k( 333) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0025974 k( 334) = ( 0.4756944 0.4756944 0.5486111), wk = 0.0025974 k( 335) = ( 0.4722222 0.4722222 0.5555556), wk = 0.0025974 k( 336) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0025974 k( 337) = ( 0.4652778 0.4652778 0.5694444), wk = 0.0025974 k( 338) = ( 0.4618056 0.4618056 0.5763889), wk = 0.0025974 k( 339) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0025974 k( 340) = ( 0.4548611 0.4548611 0.5902778), wk = 0.0025974 k( 341) = ( 0.4513889 0.4513889 0.5972222), wk = 0.0025974 k( 342) = ( 0.4479167 0.4479167 0.6041667), wk = 0.0025974 k( 343) = ( 0.4444444 0.4444444 0.6111111), wk = 0.0025974 k( 344) = ( 0.4409722 0.4409722 0.6180556), wk = 0.0025974 k( 345) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0025974 k( 346) = ( 0.4340278 0.4340278 0.6319444), wk = 0.0025974 k( 347) = ( 0.4305556 0.4305556 0.6388889), wk = 0.0025974 k( 348) = ( 0.4270833 0.4270833 0.6458333), wk = 0.0025974 k( 349) = ( 0.4236111 0.4236111 0.6527778), wk = 0.0025974 k( 350) = ( 0.4201389 0.4201389 0.6597222), wk = 0.0025974 k( 351) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0025974 k( 352) = ( 0.4131944 0.4131944 0.6736111), wk = 0.0025974 k( 353) = ( 0.4097222 0.4097222 0.6805556), wk = 0.0025974 k( 354) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0025974 k( 355) = ( 0.4027778 0.4027778 0.6944444), wk = 0.0025974 k( 356) = ( 0.3993056 0.3993056 0.7013889), wk = 0.0025974 k( 357) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0025974 k( 358) = ( 0.3923611 0.3923611 0.7152778), wk = 0.0025974 k( 359) = ( 0.3888889 0.3888889 0.7222222), wk = 0.0025974 k( 360) = ( 0.3854167 0.3854167 0.7291667), wk = 0.0025974 k( 361) = ( 0.3819444 0.3819444 0.7361111), wk = 0.0025974 k( 362) = ( 0.3784722 0.3784722 0.7430556), wk = 0.0025974 k( 363) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0025974 k( 364) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0025974 k( 365) = ( 0.6190476 0.2380952 0.6190476), wk = 0.0025974 k( 366) = ( 0.6130952 0.2261905 0.6130952), wk = 0.0025974 k( 367) = ( 0.6071429 0.2142857 0.6071429), wk = 0.0025974 k( 368) = ( 0.6011905 0.2023810 0.6011905), wk = 0.0025974 k( 369) = ( 0.5952381 0.1904762 0.5952381), wk = 0.0025974 k( 370) = ( 0.5892857 0.1785714 0.5892857), wk = 0.0025974 k( 371) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0025974 k( 372) = ( 0.5773810 0.1547619 0.5773810), wk = 0.0025974 k( 373) = ( 0.5714286 0.1428571 0.5714286), wk = 0.0025974 k( 374) = ( 0.5654762 0.1309524 0.5654762), wk = 0.0025974 k( 375) = ( 0.5595238 0.1190476 0.5595238), wk = 0.0025974 k( 376) = ( 0.5535714 0.1071429 0.5535714), wk = 0.0025974 k( 377) = ( 0.5476190 0.0952381 0.5476190), wk = 0.0025974 k( 378) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0025974 k( 379) = ( 0.5357143 0.0714286 0.5357143), wk = 0.0025974 k( 380) = ( 0.5297619 0.0595238 0.5297619), wk = 0.0025974 k( 381) = ( 0.5238095 0.0476190 0.5238095), wk = 0.0025974 k( 382) = ( 0.5178571 0.0357143 0.5178571), wk = 0.0025974 k( 383) = ( 0.5119048 0.0238095 0.5119048), wk = 0.0025974 k( 384) = ( 0.5059524 0.0119048 0.5059524), wk = 0.0025974 k( 385) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025974 Dense grid: 18149 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 12051 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 78, 28) NL pseudopotentials 0.04 Mb ( 39, 68) Each V/rho on FFT grid 0.02 Mb ( 1600) Each G-vector array 0.00 Mb ( 378) G-vector shells 0.00 Mb ( 149) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.13 Mb ( 78, 112) Each subspace H/S matrix 0.19 Mb ( 112, 112) Each matrix 0.06 Mb ( 68, 2, 28) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./SnS.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.6 secs Computing kpt #: 2 total cpu time spent up to now is 42.0 secs Computing kpt #: 3 total cpu time spent up to now is 42.3 secs Computing kpt #: 4 total cpu time spent up to now is 42.7 secs Computing kpt #: 5 total cpu time spent up to now is 43.1 secs Computing kpt #: 6 total cpu time spent up to now is 43.5 secs Computing kpt #: 7 total cpu time spent up to now is 43.9 secs Computing kpt #: 8 total cpu time spent up to now is 44.2 secs Computing kpt #: 9 total cpu time spent up to now is 44.6 secs Computing kpt #: 10 total cpu time spent up to now is 44.9 secs Computing kpt #: 11 total cpu time spent up to now is 45.3 secs Computing kpt #: 12 total cpu time spent up to now is 45.6 secs Computing kpt #: 13 total cpu time spent up to now is 45.9 secs Computing kpt #: 14 total cpu time spent up to now is 46.2 secs Computing kpt #: 15 total cpu time spent up to now is 46.5 secs Computing kpt #: 16 total cpu time spent up to now is 46.8 secs Computing kpt #: 17 total cpu time spent up to now is 47.1 secs Computing kpt #: 18 total cpu time spent up to now is 47.4 secs Computing kpt #: 19 total cpu time spent up to now is 47.7 secs Computing kpt #: 20 total cpu time spent up to now is 48.0 secs Computing kpt #: 21 total cpu time spent up to now is 48.3 secs Computing kpt #: 22 total cpu time spent up to now is 48.6 secs Computing kpt #: 23 total cpu time spent up to now is 48.9 secs Computing kpt #: 24 total cpu time spent up to now is 49.4 secs Computing kpt #: 25 total cpu time spent up to now is 49.8 secs Computing kpt #: 26 total cpu time spent up to now is 50.1 secs Computing kpt #: 27 total cpu time spent up to now is 50.6 secs Computing kpt #: 28 total cpu time spent up to now is 51.2 secs Computing kpt #: 29 total cpu time spent up to now is 51.5 secs Computing kpt #: 30 total cpu time spent up to now is 51.9 secs Computing kpt #: 31 total cpu time spent up to now is 52.5 secs Computing kpt #: 32 total cpu time spent up to now is 53.0 secs Computing kpt #: 33 total cpu time spent up to now is 53.4 secs Computing kpt #: 34 total cpu time spent up to now is 53.8 secs Computing kpt #: 35 total cpu time spent up to now is 54.1 secs Computing kpt #: 36 total cpu time spent up to now is 54.5 secs Computing kpt #: 37 total cpu time spent up to now is 54.9 secs Computing kpt #: 38 total cpu time spent up to now is 55.2 secs Computing kpt #: 39 total cpu time spent up to now is 55.6 secs Computing kpt #: 40 total cpu time spent up to now is 55.9 secs Computing kpt #: 41 total cpu time spent up to now is 56.2 secs Computing kpt #: 42 total cpu time spent up to now is 56.5 secs Computing kpt #: 43 total cpu time spent up to now is 56.8 secs Computing kpt #: 44 total cpu time spent up to now is 57.3 secs Computing kpt #: 45 total cpu 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Computing kpt #: 61 total cpu time spent up to now is 63.2 secs Computing kpt #: 62 total cpu time spent up to now is 63.5 secs Computing kpt #: 63 total cpu time spent up to now is 63.8 secs Computing kpt #: 64 total cpu time spent up to now is 64.1 secs Computing kpt #: 65 total cpu time spent up to now is 64.4 secs Computing kpt #: 66 total cpu time spent up to now is 64.7 secs Computing kpt #: 67 total cpu time spent up to now is 65.0 secs Computing kpt #: 68 total cpu time spent up to now is 65.4 secs Computing kpt #: 69 total cpu time spent up to now is 65.7 secs Computing kpt #: 70 total cpu time spent up to now is 66.1 secs Computing kpt #: 71 total cpu time spent up to now is 66.6 secs Computing kpt #: 72 total cpu time spent up to now is 67.0 secs Computing kpt #: 73 total cpu time spent up to now is 67.3 secs Computing kpt #: 74 total cpu time spent up to now is 67.7 secs Computing kpt #: 75 total cpu time spent up to now is 68.1 secs Computing kpt #: 76 total cpu time spent up to now is 68.4 secs Computing kpt #: 77 total cpu time spent up to now is 68.7 secs Computing kpt #: 78 total cpu time spent up to now is 69.1 secs Computing kpt #: 79 total cpu time spent up to now is 69.4 secs Computing kpt #: 80 total cpu time spent up to now is 69.7 secs Computing kpt #: 81 total cpu time spent up to now is 70.0 secs Computing kpt #: 82 total cpu time spent up to now is 70.3 secs Computing kpt #: 83 total cpu time spent up to now is 70.6 secs Computing kpt #: 84 total cpu time spent up to now is 70.9 secs Computing kpt #: 85 total cpu time spent up to now is 71.2 secs Computing kpt #: 86 total cpu time spent up to now is 71.5 secs Computing kpt #: 87 total cpu time spent up to now is 71.8 secs Computing kpt #: 88 total cpu time spent up to now is 72.1 secs Computing kpt #: 89 total cpu time spent up to now is 72.4 secs Computing kpt #: 90 total cpu time spent up to now is 72.8 secs Computing kpt #: 91 total cpu time spent up to now is 73.3 secs Computing kpt #: 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Computing kpt #: 123 total cpu time spent up to now is 84.2 secs Computing kpt #: 124 total cpu time spent up to now is 84.7 secs Computing kpt #: 125 total cpu time spent up to now is 85.2 secs Computing kpt #: 126 total cpu time spent up to now is 85.6 secs Computing kpt #: 127 total cpu time spent up to now is 86.1 secs Computing kpt #: 128 total cpu time spent up to now is 86.4 secs Computing kpt #: 129 total cpu time spent up to now is 86.7 secs Computing kpt #: 130 total cpu time spent up to now is 87.0 secs Computing kpt #: 131 total cpu time spent up to now is 87.5 secs Computing kpt #: 132 total cpu time spent up to now is 87.8 secs Computing kpt #: 133 total cpu time spent up to now is 88.1 secs Computing kpt #: 134 total cpu time spent up to now is 88.6 secs Computing kpt #: 135 total cpu time spent up to now is 88.9 secs Computing kpt #: 136 total cpu time spent up to now is 89.2 secs Computing kpt #: 137 total cpu time spent up to now is 89.5 secs Computing kpt #: 138 total cpu time spent up to now is 90.0 secs Computing kpt #: 139 total cpu time spent up to now is 90.4 secs Computing kpt #: 140 total cpu time spent up to now is 90.7 secs Computing kpt #: 141 total cpu time spent up to now is 91.1 secs Computing kpt #: 142 total cpu time spent up to now is 91.9 secs Computing kpt #: 143 total cpu time spent up to now is 92.5 secs Computing kpt #: 144 total cpu time spent up to now is 92.9 secs Computing kpt #: 145 total cpu time spent up to now is 93.2 secs Computing kpt #: 146 total cpu time spent up to now is 93.5 secs Computing kpt #: 147 total cpu time spent up to now is 93.8 secs Computing kpt #: 148 total cpu time spent up to now is 94.1 secs Computing kpt #: 149 total cpu time spent up to now is 94.5 secs Computing kpt #: 150 total cpu time spent up to now is 94.8 secs Computing kpt #: 151 total cpu time spent up to now is 95.1 secs Computing kpt #: 152 total cpu time spent up to now is 95.7 secs Computing kpt #: 153 total cpu time spent up to now is 96.0 secs Computing kpt #: 154 total cpu time spent up to now is 96.3 secs Computing kpt #: 155 total cpu time spent up to now is 96.7 secs Computing kpt #: 156 total cpu time spent up to now is 97.0 secs Computing kpt #: 157 total cpu time spent up to now is 97.5 secs Computing kpt #: 158 total cpu time spent up to now is 97.8 secs Computing kpt #: 159 total cpu time spent up to now is 98.3 secs Computing kpt #: 160 total cpu time spent up to now is 98.6 secs Computing kpt #: 161 total cpu time spent up to now is 99.2 secs Computing kpt #: 162 total cpu time spent up to now is 99.6 secs Computing kpt #: 163 total cpu time spent up to now is 100.1 secs Computing kpt #: 164 total cpu time spent up to now is 100.4 secs Computing kpt #: 165 total cpu time spent up to now is 100.8 secs Computing kpt #: 166 total cpu time spent up to now is 101.2 secs Computing kpt #: 167 total cpu time spent up to now is 101.6 secs Computing kpt #: 168 total cpu time spent up to now is 102.1 secs Computing kpt #: 169 total cpu time spent up to now is 102.5 secs Computing kpt #: 170 total cpu time spent up to now is 102.9 secs Computing kpt #: 171 total cpu time spent up to now is 103.3 secs Computing kpt #: 172 total cpu time spent up to now is 103.8 secs Computing kpt #: 173 total cpu time spent up to now is 104.2 secs Computing kpt #: 174 total cpu time spent up to now is 104.6 secs Computing kpt #: 175 total cpu time spent up to now is 105.2 secs Computing kpt #: 176 total cpu time spent up to now is 105.6 secs Computing kpt #: 177 total cpu time spent up to now is 106.0 secs Computing kpt #: 178 total cpu time spent up to now is 106.6 secs Computing kpt #: 179 total cpu time spent up to now is 107.2 secs Computing kpt #: 180 total cpu time spent up to now is 107.8 secs Computing kpt #: 181 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 109.9 secs Computing kpt #: 182 total cpu time spent up to now is 110.6 secs Computing kpt #: 183 total cpu time spent up to now is 111.4 secs Computing kpt #: 184 total cpu time spent up to now is 112.3 secs Computing kpt #: 185 total cpu time spent up to now is 112.9 secs Computing kpt #: 186 total cpu time spent up to now is 113.3 secs Computing kpt #: 187 total cpu time spent up to now is 114.0 secs Computing kpt #: 188 total cpu time spent up to now is 114.4 secs Computing kpt #: 189 total cpu time spent up to now is 114.7 secs Computing kpt #: 190 total cpu time spent up to now is 115.1 secs Computing kpt #: 191 total cpu time spent up to now is 115.6 secs Computing kpt #: 192 total cpu time spent up to now is 115.9 secs Computing kpt #: 193 total cpu time spent up to now is 116.4 secs Computing kpt #: 194 total cpu time spent up to now is 116.8 secs Computing kpt #: 195 total cpu time spent up to now is 117.3 secs Computing kpt #: 196 total cpu time spent up to now is 117.7 secs Computing kpt #: 197 total cpu time spent up to now is 118.2 secs Computing kpt #: 198 total cpu time spent up to now is 118.6 secs Computing kpt #: 199 total cpu time spent up to now is 119.1 secs Computing kpt #: 200 total cpu time spent up to now is 119.6 secs Computing kpt #: 201 total cpu time spent up to now is 120.0 secs Computing kpt #: 202 total cpu time spent up to now is 120.6 secs Computing kpt #: 203 total cpu time spent up to now is 121.1 secs Computing kpt #: 204 total cpu time spent up to now is 122.0 secs Computing kpt #: 205 total cpu time spent up to now is 122.6 secs Computing kpt #: 206 total cpu time spent up to now is 123.1 secs Computing kpt #: 207 total cpu time spent up to now is 123.6 secs Computing kpt #: 208 total cpu time spent up to now is 124.2 secs Computing kpt #: 209 total cpu time spent up to now is 124.7 secs Computing kpt #: 210 total cpu time spent up to now is 125.2 secs Computing kpt #: 211 total cpu time spent up to now is 125.7 secs Computing kpt #: 212 total cpu time spent up to now is 126.2 secs Computing kpt #: 213 total cpu time spent up to now is 126.7 secs Computing kpt #: 214 total cpu time spent up to now is 127.1 secs Computing kpt #: 215 total cpu time spent up to now is 127.5 secs Computing kpt #: 216 total cpu time spent up to now is 127.9 secs Computing kpt #: 217 total cpu time spent up to now is 128.4 secs Computing kpt #: 218 total cpu time spent up to now is 129.0 secs Computing kpt #: 219 total cpu time spent up to now is 129.8 secs Computing kpt #: 220 total cpu time spent up to now is 130.3 secs Computing kpt #: 221 total cpu time spent up to now is 130.7 secs Computing kpt #: 222 total cpu time spent up to now is 131.3 secs Computing kpt #: 223 total cpu time spent up to now is 131.7 secs Computing kpt #: 224 total cpu time spent up to now is 132.1 secs Computing kpt #: 225 total cpu time spent up to now is 132.5 secs Computing kpt #: 226 total cpu time spent up to now is 132.9 secs Computing kpt #: 227 total cpu time spent up to now is 133.2 secs Computing kpt #: 228 total cpu time spent up to now is 133.7 secs Computing kpt #: 229 total cpu time spent up to now is 134.1 secs Computing kpt #: 230 total cpu time spent up to now is 134.5 secs Computing kpt #: 231 total cpu time spent up to now is 134.9 secs Computing kpt #: 232 total cpu time spent up to now is 135.3 secs Computing kpt #: 233 total cpu time spent up to now is 135.7 secs Computing kpt #: 234 total cpu time spent up to now is 136.2 secs Computing kpt #: 235 total cpu time spent up to now is 136.7 secs Computing kpt #: 236 total cpu time spent up to now is 137.2 secs Computing kpt #: 237 total cpu time spent up to now is 137.7 secs Computing kpt #: 238 total cpu time spent up to now is 138.2 secs Computing kpt #: 239 total cpu time spent up to now is 138.6 secs Computing kpt #: 240 total cpu time spent up to now is 139.0 secs Computing kpt #: 241 total cpu time spent up to now is 139.4 secs Computing kpt #: 242 total cpu time spent up to now is 139.8 secs Computing kpt #: 243 total cpu time spent up to now is 140.1 secs Computing kpt #: 244 total cpu time spent up to now is 140.5 secs Computing kpt #: 245 total cpu time spent up to now is 140.9 secs Computing kpt #: 246 total cpu time spent up to now is 141.3 secs Computing kpt #: 247 total cpu time spent up to now is 141.7 secs Computing kpt #: 248 total cpu time spent up to now is 142.1 secs Computing kpt #: 249 total cpu time spent up to now is 142.5 secs Computing kpt #: 250 total cpu time spent up to now is 143.0 secs Computing kpt #: 251 total cpu time spent up to now is 143.3 secs Computing kpt #: 252 total cpu time spent up to now is 143.6 secs Computing kpt #: 253 total cpu time spent up to now is 143.9 secs Computing kpt #: 254 total cpu time spent up to now is 144.2 secs Computing kpt #: 255 total cpu time spent up to now is 144.5 secs Computing kpt #: 256 total cpu time spent up to now is 144.7 secs Computing kpt #: 257 total cpu time spent up to now is 145.1 secs Computing kpt #: 258 total cpu time spent up to now is 145.4 secs Computing kpt #: 259 total cpu time spent up to now is 145.9 secs Computing kpt #: 260 total cpu time spent up to now is 146.3 secs Computing kpt #: 261 total cpu time spent up to now is 146.8 secs Computing kpt #: 262 total cpu time spent up to now is 147.2 secs Computing kpt #: 263 total cpu time spent up to now is 147.5 secs Computing kpt #: 264 total cpu time spent up to now is 147.7 secs Computing kpt #: 265 total cpu time spent up to now is 148.0 secs Computing kpt #: 266 total cpu time spent up to now is 148.3 secs Computing kpt #: 267 total cpu time spent up to now is 148.6 secs Computing kpt #: 268 total cpu time spent up to now is 148.9 secs Computing kpt #: 269 total cpu time spent up to now is 149.2 secs Computing kpt #: 270 total cpu time spent up to now is 149.5 secs Computing kpt #: 271 total cpu time spent up to now is 149.8 secs Computing kpt #: 272 total cpu time spent up to now is 150.1 secs Computing kpt #: 273 total cpu time spent up to now is 150.6 secs Computing kpt #: 274 total cpu time spent up to now is 150.9 secs Computing kpt #: 275 total cpu time spent up to now is 151.3 secs Computing kpt #: 276 total cpu time spent up to now is 151.9 secs Computing kpt #: 277 total cpu time spent up to now is 152.3 secs Computing kpt #: 278 total cpu time spent up to now is 152.8 secs Computing kpt #: 279 total cpu time spent up to now is 153.1 secs Computing kpt #: 280 total cpu time spent up to now is 153.5 secs Computing kpt #: 281 total cpu time spent up to now is 153.8 secs Computing kpt #: 282 total cpu time spent up to now is 154.0 secs Computing kpt #: 283 total cpu time spent up to now is 154.3 secs Computing kpt #: 284 total cpu time spent up to now is 154.6 secs Computing kpt #: 285 total cpu time spent up to now is 155.0 secs Computing kpt #: 286 total cpu time spent up to now is 155.2 secs Computing kpt #: 287 total cpu time spent up to now is 155.5 secs Computing kpt #: 288 total cpu time spent up to now is 155.8 secs Computing kpt #: 289 total cpu time spent up to now is 156.1 secs Computing kpt #: 290 total cpu time spent up to now is 156.4 secs Computing kpt #: 291 total cpu time spent up to now is 156.7 secs Computing kpt #: 292 total cpu time spent up to now is 157.1 secs Computing kpt #: 293 total cpu time spent up to now is 157.5 secs Computing kpt #: 294 total cpu time spent up to now is 157.9 secs Computing kpt #: 295 total cpu time spent up to now is 158.2 secs Computing kpt #: 296 total cpu time spent up to now is 158.6 secs Computing kpt #: 297 total cpu time spent up to now is 159.0 secs Computing kpt #: 298 total cpu time spent up to now is 159.3 secs Computing kpt #: 299 total cpu time spent up to now is 159.5 secs Computing kpt #: 300 total cpu time spent up to now is 159.8 secs Computing kpt #: 301 total cpu time spent up to now is 160.1 secs Computing kpt #: 302 total cpu time spent up to now is 160.4 secs Computing kpt #: 303 total cpu time spent up to now is 160.7 secs Computing kpt #: 304 total cpu time spent up to now is 161.0 secs Computing kpt #: 305 total cpu time spent up to now is 161.3 secs Computing kpt #: 306 total cpu time spent up to now is 161.6 secs Computing kpt #: 307 total cpu time spent up to now is 161.9 secs Computing kpt #: 308 total cpu time spent up to now is 162.2 secs Computing kpt #: 309 total cpu time spent up to now is 162.6 secs Computing kpt #: 310 total cpu time spent up to now is 163.0 secs Computing kpt #: 311 total cpu time spent up to now is 163.3 secs Computing kpt #: 312 total cpu time spent up to now is 163.8 secs Computing kpt #: 313 total cpu time spent up to now is 164.2 secs Computing kpt #: 314 total cpu time spent up to now is 164.8 secs Computing kpt #: 315 total cpu time spent up to now is 165.2 secs Computing kpt #: 316 total cpu time spent up to now is 165.7 secs Computing kpt #: 317 total cpu time spent up to now is 166.1 secs Computing kpt #: 318 total cpu time spent up to now is 166.5 secs Computing kpt #: 319 total cpu time spent up to now is 166.9 secs Computing kpt #: 320 total cpu time spent up to now is 167.3 secs Computing kpt #: 321 total cpu time spent up to now is 167.7 secs Computing kpt #: 322 total cpu time spent up to now is 168.3 secs Computing kpt #: 323 total cpu time spent up to now is 168.8 secs Computing kpt #: 324 total cpu time spent up to now is 169.5 secs Computing kpt #: 325 total cpu time spent up to now is 169.9 secs Computing kpt #: 326 total cpu time spent up to now is 170.5 secs Computing kpt #: 327 total cpu time spent up to now is 171.0 secs Computing kpt #: 328 total cpu time spent up to now is 171.7 secs Computing kpt #: 329 total cpu time spent up to now is 172.1 secs Computing kpt #: 330 total cpu time spent up to now is 172.6 secs Computing kpt #: 331 total cpu time spent up to now is 173.3 secs Computing kpt #: 332 total cpu time spent up to now is 173.8 secs Computing kpt #: 333 total cpu time spent up to now is 174.3 secs Computing kpt #: 334 total cpu time spent up to now is 174.7 secs Computing kpt #: 335 total cpu time spent up to now is 175.1 secs Computing kpt #: 336 total cpu time spent up to now is 175.6 secs Computing kpt #: 337 total cpu time spent up to now is 176.0 secs Computing kpt #: 338 total cpu time spent up to now is 176.4 secs Computing kpt #: 339 total cpu time spent up to now is 176.8 secs Computing kpt #: 340 total cpu time spent up to now is 177.2 secs Computing kpt #: 341 total cpu time spent up to now is 177.7 secs Computing kpt #: 342 total cpu time spent up to now is 178.3 secs Computing kpt #: 343 total cpu time spent up to now is 178.8 secs Computing kpt #: 344 total cpu time spent up to now is 179.2 secs Computing kpt #: 345 total cpu time spent up to now is 179.7 secs Computing kpt #: 346 total cpu time spent up to now is 180.1 secs Computing kpt #: 347 total cpu time spent up to now is 180.4 secs Computing kpt #: 348 total cpu time spent up to now is 180.8 secs Computing kpt #: 349 total cpu time spent up to now is 181.2 secs Computing kpt #: 350 total cpu time spent up to now is 181.6 secs Computing kpt #: 351 total cpu time spent up to now is 181.9 secs Computing kpt #: 352 total cpu time spent up to now is 182.2 secs Computing kpt #: 353 total cpu time spent up to now is 182.5 secs Computing kpt #: 354 total cpu time spent up to now is 182.8 secs Computing kpt #: 355 total cpu time spent up to now is 183.1 secs Computing kpt #: 356 total cpu time spent up to now is 183.4 secs Computing kpt #: 357 total cpu time spent up to now is 183.7 secs Computing kpt #: 358 total cpu time spent up to now is 184.1 secs Computing kpt #: 359 total cpu time spent up to now is 184.4 secs Computing kpt #: 360 total cpu time spent up to now is 184.7 secs Computing kpt #: 361 total cpu time spent up to now is 185.0 secs Computing kpt #: 362 total cpu time spent up to now is 185.5 secs Computing kpt #: 363 total cpu time spent up to now is 185.9 secs Computing kpt #: 364 total cpu time spent up to now is 186.2 secs Computing kpt #: 365 total cpu time spent up to now is 186.5 secs Computing kpt #: 366 total cpu time spent up to now is 187.0 secs Computing kpt #: 367 total cpu time spent up to now is 187.4 secs Computing kpt #: 368 total cpu time spent up to now is 187.7 secs Computing kpt #: 369 total cpu time spent up to now is 188.0 secs Computing kpt #: 370 total cpu time spent up to now is 188.3 secs Computing kpt #: 371 total cpu time spent up to now is 188.6 secs Computing kpt #: 372 total cpu time spent up to now is 188.9 secs Computing kpt #: 373 total cpu time spent up to now is 189.3 secs Computing kpt #: 374 total cpu time spent up to now is 189.7 secs Computing kpt #: 375 total cpu time spent up to now is 190.2 secs Computing kpt #: 376 total cpu time spent up to now is 190.5 secs Computing kpt #: 377 total cpu time spent up to now is 191.1 secs Computing kpt #: 378 total cpu time spent up to now is 191.5 secs Computing kpt #: 379 total cpu time spent up to now is 191.8 secs Computing kpt #: 380 total cpu time spent up to now is 192.2 secs Computing kpt #: 381 total cpu time spent up to now is 192.5 secs Computing kpt #: 382 total cpu time spent up to now is 192.8 secs Computing kpt #: 383 total cpu time spent up to now is 193.1 secs Computing kpt #: 384 total cpu time spent up to now is 193.4 secs Computing kpt #: 385 total cpu time spent up to now is 193.8 secs ethr = 5.00E-11, avg # of iterations = 20.9 total cpu time spent up to now is 194.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1471 PWs) bands (ev): -10.8569 -10.8569 -10.8569 -10.8569 -9.9018 -9.9018 -9.7999 -9.7999 -9.7999 -9.7999 -5.1853 -5.1853 7.8232 7.8232 7.9596 7.9596 7.9596 7.9596 8.9323 8.9323 13.1089 13.1089 13.7114 13.7114 13.7114 13.7114 19.1566 19.1566 k = 0.0086-0.0050 0.0070 ( 1471 PWs) bands (ev): -10.8571 -10.8571 -10.8567 -10.8567 -9.9018 -9.9018 -9.8001 -9.8001 -9.7996 -9.7996 -5.1841 -5.1841 7.8147 7.8147 7.9450 7.9450 7.9569 7.9569 8.9527 8.9527 13.1103 13.1103 13.7096 13.7096 13.7150 13.7150 19.1637 19.1637 k = 0.0172-0.0100 0.0141 ( 1471 PWs) bands (ev): -10.8573 -10.8573 -10.8565 -10.8565 -9.9018 -9.9018 -9.8003 -9.8003 -9.7994 -9.7994 -5.1806 -5.1806 7.7847 7.7847 7.9104 7.9104 7.9488 7.9488 9.0097 9.0097 13.1144 13.1144 13.7045 13.7045 13.7260 13.7260 19.1847 19.1847 k = 0.0259-0.0149 0.0211 ( 1467 PWs) bands (ev): -10.8575 -10.8575 -10.8563 -10.8563 -9.9018 -9.9018 -9.8006 -9.8006 -9.7992 -9.7992 -5.1747 -5.1747 7.7236 7.7236 7.8746 7.8746 7.9355 7.9355 9.0939 9.0939 13.1203 13.1203 13.6972 13.6972 13.7442 13.7442 19.2192 19.2192 k = 0.0345-0.0199 0.0282 ( 1467 PWs) bands (ev): -10.8577 -10.8577 -10.8560 -10.8560 -9.9018 -9.9018 -9.8008 -9.8008 -9.7989 -9.7989 -5.1665 -5.1665 7.6337 7.6337 7.8443 7.8443 7.9169 7.9169 9.1962 9.1962 13.1264 13.1264 13.6895 13.6895 13.7695 13.7695 19.2649 19.2649 k = 0.0431-0.0249 0.0352 ( 1467 PWs) bands (ev): -10.8580 -10.8580 -10.8556 -10.8556 -9.9017 -9.9017 -9.8010 -9.8010 -9.7987 -9.7987 -5.1560 -5.1560 7.5259 7.5259 7.8154 7.8154 7.8935 7.8935 9.3102 9.3102 13.1304 13.1304 13.6837 13.6837 13.8017 13.8017 19.2778 19.2778 k = 0.0517-0.0299 0.0422 ( 1467 PWs) bands (ev): -10.8582 -10.8582 -10.8552 -10.8552 -9.9017 -9.9017 -9.8012 -9.8012 -9.7985 -9.7985 -5.1431 -5.1431 7.4077 7.4077 7.7847 7.7847 7.8653 7.8653 9.4317 9.4317 13.1296 13.1296 13.6831 13.6831 13.8407 13.8407 19.1644 19.1644 k = 0.0603-0.0348 0.0493 ( 1475 PWs) bands (ev): -10.8586 -10.8586 -10.8548 -10.8548 -9.9017 -9.9017 -9.8013 -9.8013 -9.7982 -9.7982 -5.1280 -5.1280 7.2830 7.2830 7.7510 7.7510 7.8326 7.8326 9.5580 9.5580 13.1209 13.1209 13.6908 13.6908 13.8863 13.8863 19.0282 19.0282 k = 0.0690-0.0398 0.0563 ( 1487 PWs) bands (ev): -10.8589 -10.8589 -10.8543 -10.8543 -9.9017 -9.9017 -9.8015 -9.8015 -9.7980 -9.7980 -5.1105 -5.1105 7.1543 7.1543 7.7137 7.7137 7.7958 7.7958 9.6872 9.6872 13.1023 13.1023 13.7095 13.7095 13.9382 13.9382 18.8832 18.8832 k = 0.0776-0.0448 0.0633 ( 1487 PWs) bands (ev): -10.8593 -10.8593 -10.8537 -10.8537 -9.9017 -9.9017 -9.8016 -9.8016 -9.7978 -9.7978 -5.0908 -5.0908 7.0229 7.0229 7.6730 7.6730 7.7552 7.7552 9.8182 9.8182 13.0728 13.0728 13.7404 13.7404 13.9961 13.9961 18.7327 18.7327 k = 0.0862-0.0498 0.0704 ( 1499 PWs) bands (ev): -10.8597 -10.8597 -10.8531 -10.8531 -9.9017 -9.9017 -9.8017 -9.8017 -9.7976 -9.7976 -5.0688 -5.0688 6.8896 6.8896 7.6290 7.6290 7.7111 7.7111 9.9500 9.9500 13.0329 13.0329 13.7832 13.7832 14.0598 14.0598 18.5790 18.5790 k = 0.0948-0.0547 0.0774 ( 1499 PWs) bands (ev): -10.8602 -10.8602 -10.8525 -10.8525 -9.9017 -9.9017 -9.8017 -9.8017 -9.7973 -9.7973 -5.0446 -5.0446 6.7552 6.7552 7.5818 7.5818 7.6638 7.6638 10.0819 10.0819 12.9839 12.9839 13.8370 13.8370 14.1289 14.1289 18.4240 18.4240 k = 0.1034-0.0597 0.0845 ( 1499 PWs) bands (ev): -10.8607 -10.8607 -10.8518 -10.8518 -9.9018 -9.9018 -9.8018 -9.8018 -9.7971 -9.7971 -5.0182 -5.0182 6.6199 6.6199 7.5318 7.5318 7.6137 7.6137 10.2134 10.2134 12.9276 12.9276 13.9004 13.9004 14.2033 14.2033 18.2694 18.2694 k = 0.1121-0.0647 0.0915 ( 1507 PWs) bands (ev): -10.8612 -10.8612 -10.8510 -10.8510 -9.9018 -9.9018 -9.8017 -9.8017 -9.7969 -9.7969 -4.9896 -4.9896 6.4841 6.4841 7.4791 7.4791 7.5611 7.5611 10.3438 10.3438 12.8653 12.8653 13.9721 13.9721 14.2825 14.2825 18.1163 18.1163 k = 0.1207-0.0697 0.0985 ( 1515 PWs) bands (ev): -10.8618 -10.8618 -10.8502 -10.8502 -9.9019 -9.9019 -9.8016 -9.8016 -9.7967 -9.7967 -4.9588 -4.9588 6.3481 6.3481 7.4242 7.4242 7.5063 7.5063 10.4728 10.4728 12.7985 12.7985 14.0509 14.0509 14.3664 14.3664 17.9661 17.9661 k = 0.1293-0.0747 0.1056 ( 1511 PWs) bands (ev): -10.8624 -10.8624 -10.8494 -10.8494 -9.9020 -9.9020 -9.8015 -9.8015 -9.7964 -9.7964 -4.9259 -4.9259 6.2119 6.2119 7.3673 7.3673 7.4497 7.4497 10.5997 10.5997 12.7282 12.7282 14.1361 14.1361 14.4547 14.4547 17.8197 17.8197 k = 0.1379-0.0796 0.1126 ( 1511 PWs) bands (ev): -10.8631 -10.8631 -10.8485 -10.8485 -9.9022 -9.9022 -9.8013 -9.8013 -9.7962 -9.7962 -4.8909 -4.8909 6.0758 6.0758 7.3086 7.3086 7.3914 7.3914 10.7241 10.7241 12.6553 12.6553 14.2267 14.2267 14.5470 14.5470 17.6781 17.6781 k = 0.1466-0.0846 0.1197 ( 1511 PWs) bands (ev): -10.8638 -10.8638 -10.8476 -10.8476 -9.9023 -9.9023 -9.8011 -9.8011 -9.7959 -9.7959 -4.8538 -4.8538 5.9397 5.9397 7.2485 7.2485 7.3318 7.3318 10.8455 10.8455 12.5806 12.5806 14.3222 14.3222 14.6432 14.6432 17.5423 17.5423 k = 0.1552-0.0896 0.1267 ( 1511 PWs) bands (ev): -10.8645 -10.8645 -10.8467 -10.8467 -9.9026 -9.9026 -9.8008 -9.8008 -9.7957 -9.7957 -4.8148 -4.8148 5.8039 5.8039 7.1872 7.1872 7.2712 7.2712 10.9632 10.9632 12.5047 12.5047 14.4222 14.4222 14.7430 14.7430 17.4130 17.4130 k = 0.1638-0.0946 0.1337 ( 1511 PWs) bands (ev): -10.8652 -10.8652 -10.8457 -10.8457 -9.9028 -9.9028 -9.8004 -9.8004 -9.7954 -9.7954 -4.7738 -4.7738 5.6685 5.6685 7.1250 7.1250 7.2098 7.2098 11.0768 11.0768 12.4280 12.4280 14.5262 14.5262 14.8462 14.8462 17.2912 17.2912 k = 0.1724-0.0995 0.1408 ( 1511 PWs) bands (ev): -10.8660 -10.8660 -10.8447 -10.8447 -9.9031 -9.9031 -9.8000 -9.8000 -9.7951 -9.7951 -4.7308 -4.7308 5.5333 5.5333 7.0622 7.0622 7.1477 7.1477 11.1857 11.1857 12.3511 12.3511 14.6337 14.6337 14.9526 14.9526 17.1777 17.1777 k = 0.1810-0.1045 0.1478 ( 1511 PWs) bands (ev): -10.8668 -10.8668 -10.8436 -10.8436 -9.9034 -9.9034 -9.7996 -9.7996 -9.7947 -9.7947 -4.6860 -4.6860 5.3987 5.3987 6.9989 6.9989 7.0853 7.0853 11.2891 11.2891 12.2744 12.2744 14.7446 14.7446 15.0619 15.0619 17.0733 17.0733 k = 0.1897-0.1095 0.1549 ( 1515 PWs) bands (ev): -10.8677 -10.8677 -10.8426 -10.8426 -9.9038 -9.9038 -9.7991 -9.7991 -9.7943 -9.7943 -4.6393 -4.6393 5.2645 5.2645 6.9354 6.9354 7.0228 7.0228 11.3865 11.3865 12.1980 12.1980 14.8584 14.8584 15.1741 15.1741 16.9787 16.9787 k = 0.1983-0.1145 0.1619 ( 1515 PWs) bands (ev): -10.8685 -10.8685 -10.8415 -10.8415 -9.9042 -9.9042 -9.7986 -9.7986 -9.7938 -9.7938 -4.5909 -4.5909 5.1310 5.1310 6.8718 6.8718 6.9603 6.9603 11.4772 11.4772 12.1224 12.1224 14.9751 14.9751 15.2889 15.2889 16.8948 16.8948 k = 0.2069-0.1195 0.1689 ( 1515 PWs) bands (ev): -10.8694 -10.8694 -10.8404 -10.8404 -9.9046 -9.9046 -9.7981 -9.7981 -9.7933 -9.7933 -4.5408 -4.5408 4.9980 4.9980 6.8085 6.8085 6.8979 6.8979 11.5606 11.5606 12.0478 12.0478 15.0943 15.0943 15.4061 15.4061 16.8222 16.8222 k = 0.2155-0.1244 0.1760 ( 1507 PWs) bands (ev): -10.8703 -10.8703 -10.8393 -10.8393 -9.9051 -9.9051 -9.7977 -9.7977 -9.7927 -9.7927 -4.4891 -4.4891 4.8658 4.8658 6.7455 6.7455 6.8360 6.8360 11.6359 11.6359 11.9745 11.9745 15.2158 15.2158 15.5257 15.5257 16.7617 16.7617 k = 0.2241-0.1294 0.1830 ( 1515 PWs) bands (ev): -10.8712 -10.8712 -10.8382 -10.8382 -9.9056 -9.9056 -9.7972 -9.7972 -9.7920 -9.7920 -4.4358 -4.4358 4.7344 4.7344 6.6830 6.6830 6.7746 6.7746 11.7026 11.7026 11.9029 11.9029 15.3395 15.3395 15.6475 15.6475 16.7137 16.7137 k = 0.2328-0.1344 0.1900 ( 1515 PWs) bands (ev): -10.8722 -10.8722 -10.8371 -10.8371 -9.9061 -9.9061 -9.7968 -9.7968 -9.7912 -9.7912 -4.3810 -4.3810 4.6038 4.6038 6.6212 6.6212 6.7139 6.7139 11.7584 11.7584 11.8348 11.8348 15.4653 15.4653 15.7713 15.7713 16.6786 16.6786 k = 0.2414-0.1394 0.1971 ( 1523 PWs) bands (ev): -10.8731 -10.8731 -10.8360 -10.8360 -9.9066 -9.9066 -9.7964 -9.7964 -9.7903 -9.7903 -4.3249 -4.3249 4.4742 4.4742 6.5602 6.5602 6.6539 6.6539 11.7562 11.7562 11.8174 11.8174 15.5928 15.5928 15.8970 15.8970 16.6568 16.6568 k = 0.2500-0.1443 0.2041 ( 1523 PWs) bands (ev): -10.8741 -10.8741 -10.8349 -10.8349 -9.9072 -9.9072 -9.7960 -9.7960 -9.7893 -9.7893 -4.2675 -4.2675 4.3456 4.3456 6.5001 6.5001 6.5950 6.5950 11.6924 11.6924 11.8542 11.8542 15.7221 15.7221 16.0246 16.0246 16.6484 16.6484 k = 0.2586-0.1493 0.2112 ( 1523 PWs) bands (ev): -10.8751 -10.8751 -10.8337 -10.8337 -9.9077 -9.9077 -9.7957 -9.7957 -9.7883 -9.7883 -4.2088 -4.2088 4.2181 4.2181 6.4412 6.4412 6.5370 6.5370 11.6277 11.6277 11.8846 11.8846 15.8530 15.8530 16.1539 16.1539 16.6533 16.6533 k = 0.2672-0.1543 0.2182 ( 1523 PWs) bands (ev): -10.8760 -10.8760 -10.8326 -10.8326 -9.9083 -9.9083 -9.7954 -9.7954 -9.7872 -9.7872 -4.1491 -4.1491 4.0919 4.0919 6.3835 6.3835 6.4803 6.4803 11.5645 11.5645 11.9065 11.9065 15.9852 15.9852 16.2848 16.2848 16.6713 16.6713 k = 0.2759-0.1593 0.2252 ( 1519 PWs) bands (ev): -10.8770 -10.8770 -10.8316 -10.8316 -9.9089 -9.9089 -9.7951 -9.7951 -9.7860 -9.7860 -4.0883 -4.0883 3.9671 3.9671 6.3271 6.3271 6.4248 6.4248 11.5034 11.5034 11.9201 11.9201 16.1188 16.1188 16.4171 16.4171 16.7019 16.7019 k = 0.2845-0.1642 0.2323 ( 1519 PWs) bands (ev): -10.8780 -10.8780 -10.8305 -10.8305 -9.9095 -9.9095 -9.7948 -9.7948 -9.7847 -9.7847 -4.0268 -4.0268 3.8437 3.8437 6.2721 6.2721 6.3708 6.3708 11.4443 11.4443 11.9257 11.9257 16.2535 16.2535 16.5508 16.5508 16.7445 16.7445 k = 0.2931-0.1692 0.2393 ( 1527 PWs) bands (ev): -10.8790 -10.8790 -10.8294 -10.8294 -9.9101 -9.9101 -9.7945 -9.7945 -9.7835 -9.7835 -3.9645 -3.9645 3.7219 3.7219 6.2186 6.2186 6.3181 6.3181 11.3873 11.3873 11.9240 11.9240 16.3891 16.3891 16.6854 16.6854 16.7987 16.7987 k = 0.3017-0.1742 0.2464 ( 1535 PWs) bands (ev): -10.8799 -10.8799 -10.8284 -10.8284 -9.9107 -9.9107 -9.7943 -9.7943 -9.7822 -9.7822 -3.9017 -3.9017 3.6019 3.6019 6.1667 6.1667 6.2671 6.2671 11.3327 11.3327 11.9158 11.9158 16.5255 16.5255 16.8197 16.8197 16.8648 16.8648 k = 0.3103-0.1792 0.2534 ( 1531 PWs) bands (ev): -10.8809 -10.8809 -10.8274 -10.8274 -9.9113 -9.9113 -9.7940 -9.7940 -9.7809 -9.7809 -3.8384 -3.8384 3.4838 3.4838 6.1164 6.1164 6.2177 6.2177 11.2803 11.2803 11.9018 11.9018 16.6624 16.6624 16.9304 16.9304 16.9653 16.9653 k = 0.3190-0.1842 0.2604 ( 1531 PWs) bands (ev): -10.8818 -10.8818 -10.8264 -10.8264 -9.9119 -9.9119 -9.7938 -9.7938 -9.7796 -9.7796 -3.7749 -3.7749 3.3679 3.3679 6.0680 6.0680 6.1700 6.1700 11.2303 11.2303 11.8828 11.8828 16.7995 16.7995 17.0157 17.0157 17.1009 17.1009 k = 0.3276-0.1891 0.2675 ( 1544 PWs) bands (ev): -10.8827 -10.8827 -10.8254 -10.8254 -9.9125 -9.9125 -9.7936 -9.7936 -9.7783 -9.7783 -3.7114 -3.7114 3.2542 3.2542 6.0213 6.0213 6.1240 6.1240 11.1826 11.1826 11.8597 11.8597 16.9364 16.9364 17.1066 17.1066 17.2396 17.2396 k = 0.3362-0.1941 0.2745 ( 1544 PWs) bands (ev): -10.8836 -10.8836 -10.8245 -10.8245 -9.9130 -9.9130 -9.7933 -9.7933 -9.7770 -9.7770 -3.6480 -3.6480 3.1431 3.1431 5.9766 5.9766 6.0800 6.0800 11.1374 11.1374 11.8333 11.8333 17.0721 17.0721 17.2047 17.2047 17.3795 17.3795 k = 0.3448-0.1991 0.2816 ( 1544 PWs) bands (ev): -10.8845 -10.8845 -10.8236 -10.8236 -9.9136 -9.9136 -9.7931 -9.7931 -9.7757 -9.7757 -3.5850 -3.5850 3.0347 3.0347 5.9338 5.9338 6.0378 6.0378 11.0945 11.0945 11.8044 11.8044 17.2053 17.2053 17.3104 17.3104 17.5200 17.5200 k = 0.3534-0.2041 0.2886 ( 1544 PWs) bands (ev): -10.8854 -10.8854 -10.8228 -10.8228 -9.9141 -9.9141 -9.7929 -9.7929 -9.7745 -9.7745 -3.5227 -3.5227 2.9292 2.9292 5.8930 5.8930 5.9977 5.9977 11.0541 11.0541 11.7735 11.7735 17.3342 17.3342 17.4243 17.4243 17.6610 17.6610 k = 0.3621-0.2090 0.2956 ( 1544 PWs) bands (ev): -10.8862 -10.8862 -10.8219 -10.8219 -9.9146 -9.9146 -9.7927 -9.7927 -9.7732 -9.7732 -3.4612 -3.4612 2.8271 2.8271 5.8543 5.8543 5.9595 5.9595 11.0162 11.0162 11.7415 11.7415 17.4572 17.4572 17.5467 17.5467 17.8021 17.8021 k = 0.3707-0.2140 0.3027 ( 1536 PWs) bands (ev): -10.8870 -10.8870 -10.8212 -10.8212 -9.9151 -9.9151 -9.7925 -9.7925 -9.7721 -9.7721 -3.4008 -3.4008 2.7285 2.7285 5.8177 5.8177 5.9235 5.9235 10.9807 10.9807 11.7088 11.7088 17.5751 17.5751 17.6757 17.6757 17.9432 17.9432 k = 0.3793-0.2190 0.3097 ( 1536 PWs) bands (ev): -10.8877 -10.8877 -10.8204 -10.8204 -9.9155 -9.9155 -9.7924 -9.7924 -9.7709 -9.7709 -3.3420 -3.3420 2.6337 2.6337 5.7833 5.7833 5.8895 5.8895 10.9476 10.9476 11.6760 11.6760 17.6893 17.6893 17.8081 17.8081 18.0838 18.0838 k = 0.3879-0.2240 0.3167 ( 1528 PWs) bands (ev): -10.8884 -10.8884 -10.8197 -10.8197 -9.9160 -9.9160 -9.7922 -9.7922 -9.7698 -9.7698 -3.2848 -3.2848 2.5432 2.5432 5.7511 5.7511 5.8577 5.8577 10.9169 10.9169 11.6437 11.6437 17.8009 17.8009 17.9417 17.9417 18.2236 18.2236 k = 0.3966-0.2289 0.3238 ( 1536 PWs) bands (ev): -10.8891 -10.8891 -10.8191 -10.8191 -9.9164 -9.9164 -9.7920 -9.7920 -9.7688 -9.7688 -3.2298 -3.2298 2.4571 2.4571 5.7211 5.7211 5.8281 5.8281 10.8887 10.8887 11.6122 11.6122 17.9099 17.9099 18.0748 18.0748 18.3622 18.3622 k = 0.4052-0.2339 0.3308 ( 1536 PWs) bands (ev): -10.8897 -10.8897 -10.8185 -10.8185 -9.9168 -9.9168 -9.7919 -9.7919 -9.7678 -9.7678 -3.1772 -3.1772 2.3759 2.3759 5.6934 5.6934 5.8008 5.8008 10.8628 10.8628 11.5820 11.5820 18.0157 18.0157 18.2063 18.2063 18.4989 18.4989 k = 0.4138-0.2389 0.3379 ( 1536 PWs) bands (ev): -10.8903 -10.8903 -10.8179 -10.8179 -9.9171 -9.9171 -9.7917 -9.7917 -9.7669 -9.7669 -3.1274 -3.1274 2.3000 2.3000 5.6680 5.6680 5.7757 5.7757 10.8394 10.8394 11.5533 11.5533 18.1176 18.1176 18.3351 18.3351 18.6330 18.6330 k = 0.4224-0.2439 0.3449 ( 1540 PWs) bands (ev): -10.8908 -10.8908 -10.8174 -10.8174 -9.9174 -9.9174 -9.7916 -9.7916 -9.7661 -9.7661 -3.0809 -3.0809 2.2297 2.2297 5.6449 5.6449 5.7529 5.7529 10.8183 10.8183 11.5265 11.5265 18.2145 18.2145 18.4603 18.4603 18.7635 18.7635 k = 0.4310-0.2489 0.3519 ( 1536 PWs) bands (ev): -10.8913 -10.8913 -10.8170 -10.8170 -9.9177 -9.9177 -9.7915 -9.7915 -9.7653 -9.7653 -3.0378 -3.0378 2.1655 2.1655 5.6242 5.6242 5.7325 5.7325 10.7995 10.7995 11.5018 11.5018 18.3055 18.3055 18.5804 18.5804 18.8895 18.8895 k = 0.4397-0.2538 0.3590 ( 1544 PWs) bands (ev): -10.8918 -10.8918 -10.8166 -10.8166 -9.9179 -9.9179 -9.7914 -9.7914 -9.7646 -9.7646 -2.9988 -2.9988 2.1076 2.1076 5.6058 5.6058 5.7144 5.7144 10.7830 10.7830 11.4795 11.4795 18.3893 18.3893 18.6941 18.6941 19.0093 19.0093 k = 0.4483-0.2588 0.3660 ( 1544 PWs) bands (ev): -10.8921 -10.8921 -10.8162 -10.8162 -9.9182 -9.9182 -9.7913 -9.7913 -9.7641 -9.7641 -2.9640 -2.9640 2.0566 2.0566 5.5899 5.5899 5.6987 5.6987 10.7687 10.7687 11.4598 11.4598 18.4650 18.4650 18.7997 18.7997 19.1214 19.1214 k = 0.4569-0.2638 0.3731 ( 1544 PWs) bands (ev): -10.8924 -10.8924 -10.8159 -10.8159 -9.9183 -9.9183 -9.7912 -9.7912 -9.7635 -9.7635 -2.9339 -2.9339 2.0127 2.0127 5.5764 5.5764 5.6853 5.6853 10.7568 10.7568 11.4428 11.4428 18.5314 18.5314 18.8952 18.8952 19.2234 19.2234 k = 0.4655-0.2688 0.3801 ( 1544 PWs) bands (ev): -10.8927 -10.8927 -10.8157 -10.8157 -9.9185 -9.9185 -9.7911 -9.7911 -9.7631 -9.7631 -2.9088 -2.9088 1.9763 1.9763 5.5653 5.5653 5.6744 5.6744 10.7470 10.7470 11.4287 11.4287 18.5873 18.5873 18.9782 18.9782 19.3128 19.3128 k = 0.4741-0.2737 0.3871 ( 1544 PWs) bands (ev): -10.8929 -10.8929 -10.8155 -10.8155 -9.9186 -9.9186 -9.7911 -9.7911 -9.7628 -9.7628 -2.8889 -2.8889 1.9477 1.9477 5.5567 5.5567 5.6659 5.6659 10.7394 10.7394 11.4177 11.4177 18.6320 18.6320 19.0464 19.0464 19.3868 19.3868 k = 0.4828-0.2787 0.3942 ( 1544 PWs) bands (ev): -10.8931 -10.8931 -10.8154 -10.8154 -9.9187 -9.9187 -9.7910 -9.7910 -9.7626 -9.7626 -2.8746 -2.8746 1.9270 1.9270 5.5506 5.5506 5.6598 5.6598 10.7340 10.7340 11.4097 11.4097 18.6645 18.6645 19.0973 19.0973 19.4425 19.4425 k = 0.4914-0.2837 0.4012 ( 1528 PWs) bands (ev): -10.8932 -10.8932 -10.8153 -10.8153 -9.9187 -9.9187 -9.7910 -9.7910 -9.7624 -9.7624 -2.8659 -2.8659 1.9146 1.9146 5.5469 5.5469 5.6562 5.6562 10.7308 10.7308 11.4049 11.4049 18.6843 18.6843 19.1289 19.1289 19.4772 19.4772 k = 0.5000-0.2887 0.4082 ( 1524 PWs) bands (ev): -10.8932 -10.8932 -10.8152 -10.8152 -9.9188 -9.9188 -9.7910 -9.7910 -9.7624 -9.7624 -2.8630 -2.8630 1.9105 1.9105 5.5456 5.5456 5.6549 5.6549 10.7297 10.7297 11.4033 11.4033 18.6910 18.6910 19.1395 19.1395 19.4890 19.4890 k = 0.5000-0.2887 0.4082 ( 1524 PWs) bands (ev): -10.8932 -10.8932 -10.8152 -10.8152 -9.9188 -9.9188 -9.7910 -9.7910 -9.7624 -9.7624 -2.8630 -2.8630 1.9105 1.9105 5.5456 5.5456 5.6549 5.6549 10.7297 10.7297 11.4033 11.4033 18.6910 18.6910 19.1395 19.1395 19.4890 19.4890 k = 0.5000-0.2787 0.4153 ( 1536 PWs) bands (ev): -10.8947 -10.8917 -10.8156 -10.8149 -9.9216 -9.9159 -9.7914 -9.7905 -9.7633 -9.7615 -2.8632 -2.8625 1.9105 1.9113 5.5383 5.5490 5.6524 5.6535 10.7311 10.7386 11.4073 11.4083 18.6768 18.6818 19.1249 19.1472 19.4782 19.4873 k = 0.5000-0.2688 0.4223 ( 1540 PWs) bands (ev): -10.8961 -10.8901 -10.8160 -10.8145 -9.9245 -9.9130 -9.7919 -9.7900 -9.7644 -9.7608 -2.8630 -2.8616 1.9114 1.9131 5.5271 5.5484 5.6460 5.6483 10.7429 10.7577 11.4201 11.4222 18.6411 18.6503 19.0969 19.1459 19.4564 19.4789 k = 0.5000-0.2588 0.4294 ( 1540 PWs) bands (ev): -10.8976 -10.8885 -10.8163 -10.8141 -9.9273 -9.9101 -9.7923 -9.7895 -9.7655 -9.7601 -2.8626 -2.8604 1.9132 1.9158 5.5123 5.5438 5.6359 5.6394 10.7650 10.7870 11.4418 11.4448 18.5875 18.5999 19.0460 19.1248 19.4335 19.4733 k = 0.5000-0.2489 0.4364 ( 1542 PWs) bands (ev): -10.8989 -10.8869 -10.8166 -10.8138 -9.9301 -9.9071 -9.7927 -9.7890 -9.7668 -9.7596 -2.8617 -2.8588 1.9159 1.9194 5.4940 5.5353 5.6220 5.6270 10.7971 10.8260 11.4720 11.4761 18.5192 18.5339 18.9664 19.0711 19.4225 19.4765 k = 0.5000-0.2389 0.4434 ( 1552 PWs) bands (ev): -10.9003 -10.8853 -10.8170 -10.8134 -9.9329 -9.9042 -9.7931 -9.7885 -9.7681 -9.7592 -2.8606 -2.8570 1.9194 1.9238 5.4725 5.5231 5.6047 5.6114 10.8392 10.8747 11.5106 11.5158 18.4392 18.4555 18.8595 18.9819 19.4275 19.4888 k = 0.5000-0.2289 0.4505 ( 1554 PWs) bands (ev): -10.9016 -10.8837 -10.8173 -10.8130 -9.9356 -9.9012 -9.7935 -9.7879 -9.7696 -9.7588 -2.8592 -2.8548 1.9238 1.9290 5.4481 5.5074 5.5842 5.5928 10.8910 10.9326 11.5574 11.5636 18.3493 18.3669 18.7305 18.8641 19.4436 19.5073 k = 0.5000-0.2190 0.4575 ( 1554 PWs) bands (ev): -10.9028 -10.8821 -10.8176 -10.8127 -9.9383 -9.8982 -9.7938 -9.7873 -9.7711 -9.7585 -2.8575 -2.8524 1.9289 1.9350 5.4212 5.4884 5.5609 5.5717 10.9521 10.9994 11.6118 11.6191 18.2506 18.2697 18.5846 18.7254 19.4653 19.5292 k = 0.5000-0.2090 0.4646 ( 1550 PWs) bands (ev): -10.9040 -10.8805 -10.8179 -10.8123 -9.9409 -9.8952 -9.7942 -9.7867 -9.7728 -9.7584 -2.8555 -2.8497 1.9348 1.9417 5.3922 5.4663 5.5350 5.5484 11.0222 11.0747 11.6736 11.6819 18.1437 18.1652 18.4266 18.5716 19.4894 19.5527 k = 0.5000-0.1991 0.4716 ( 1546 PWs) bands (ev): -10.9051 -10.8789 -10.8182 -10.8120 -9.9435 -9.8922 -9.7946 -9.7860 -9.7745 -9.7583 -2.8533 -2.8468 1.9413 1.9491 5.3614 5.4416 5.5069 5.5233 11.1009 11.1580 11.7422 11.7517 18.0282 18.0541 18.2608 18.4066 19.5141 19.5764 k = 0.5000-0.1891 0.4786 ( 1546 PWs) bands (ev): -10.9062 -10.8773 -10.8184 -10.8117 -9.9460 -9.8892 -9.7950 -9.7854 -9.7763 -9.7583 -2.8508 -2.8437 1.9485 1.9570 5.3291 5.4146 5.4770 5.4968 11.1877 11.2488 11.8172 11.8279 17.9027 17.9372 18.0921 18.2334 19.5385 19.5998 k = 0.5000-0.1792 0.4857 ( 1540 PWs) bands (ev): -10.9072 -10.8758 -10.8187 -10.8113 -9.9485 -9.8862 -9.7954 -9.7847 -9.7781 -9.7583 -2.8483 -2.8405 1.9562 1.9656 5.2959 5.3857 5.4457 5.4694 11.2823 11.3468 11.8981 11.9100 17.7634 17.8147 17.9269 18.0546 19.5622 19.6225 k = 0.5000-0.1692 0.4927 ( 1540 PWs) bands (ev): -10.9082 -10.8743 -10.8189 -10.8110 -9.9509 -9.8831 -9.7959 -9.7840 -9.7800 -9.7585 -2.8455 -2.8371 1.9643 1.9745 5.2620 5.3552 5.4135 5.4412 11.3841 11.4515 11.9844 11.9975 17.6060 17.6865 17.7715 17.8730 19.5849 19.6442 k = 0.5000-0.1593 0.4998 ( 1542 PWs) bands (ev): -10.9091 -10.8728 -10.8191 -10.8107 -9.9532 -9.8801 -9.7964 -9.7832 -9.7820 -9.7587 -2.8427 -2.8337 1.9728 1.9838 5.2279 5.3237 5.3806 5.4128 11.4927 11.5623 12.0753 12.0898 17.4315 17.5507 17.6269 17.6922 19.6064 19.6650 k = 0.5000-0.1493 0.5068 ( 1538 PWs) bands (ev): -10.9099 -10.8714 -10.8193 -10.8104 -9.9555 -9.8770 -9.7970 -9.7839 -9.7825 -9.7590 -2.8398 -2.8301 1.9816 1.9934 5.1939 5.2916 5.3476 5.3844 11.6077 11.6787 12.1704 12.1863 17.2459 17.4029 17.4890 17.5188 19.6269 19.6846 k = 0.5000-0.1394 0.5138 ( 1542 PWs) bands (ev): -10.9107 -10.8700 -10.8195 -10.8101 -9.9576 -9.8739 -9.7977 -9.7858 -9.7817 -9.7594 -2.8368 -2.8266 1.9906 2.0031 5.1603 5.2593 5.3147 5.3563 11.7285 11.8002 12.2688 12.2862 17.0541 17.2374 17.3544 17.3601 19.6461 19.7032 k = 0.5000-0.1294 0.5209 ( 1538 PWs) bands (ev): -10.9114 -10.8687 -10.8197 -10.8099 -9.9597 -9.8708 -9.7986 -9.7875 -9.7809 -9.7598 -2.8339 -2.8231 1.9996 2.0129 5.1275 5.2271 5.2825 5.3289 11.8546 11.9263 12.3700 12.3890 16.8592 17.0573 17.2148 17.2216 19.6642 19.7207 k = 0.5000-0.1195 0.5279 ( 1538 PWs) bands (ev): -10.9121 -10.8675 -10.8198 -10.8096 -9.9616 -9.8677 -9.7997 -9.7891 -9.7800 -9.7603 -2.8309 -2.8197 2.0086 2.0226 5.0958 5.1956 5.2511 5.3024 11.9855 12.0564 12.4730 12.4938 16.6631 16.8706 17.0766 17.0903 19.6811 19.7371 k = 0.5000-0.1095 0.5349 ( 1536 PWs) bands (ev): -10.9127 -10.8663 -10.8199 -10.8094 -9.9634 -9.8646 -9.8012 -9.7904 -9.7792 -9.7608 -2.8281 -2.8163 2.0175 2.0322 5.0655 5.1651 5.2210 5.2770 12.1206 12.1897 12.5770 12.5997 16.4672 16.6820 16.9424 16.9609 19.6968 19.7524 k = 0.5000-0.0995 0.5420 ( 1536 PWs) bands (ev): -10.9133 -10.8652 -10.8201 -10.8092 -9.9651 -9.8614 -9.8029 -9.7915 -9.7783 -9.7614 -2.8254 -2.8131 2.0261 2.0414 5.0368 5.1360 5.1924 5.2531 12.2591 12.3255 12.6810 12.7057 16.2725 16.4943 16.8118 16.8341 19.7114 19.7665 k = 0.5000-0.0896 0.5490 ( 1536 PWs) bands (ev): -10.9138 -10.8643 -10.8201 -10.8090 -9.9666 -9.8583 -9.8050 -9.7923 -9.7775 -9.7620 -2.8228 -2.8101 2.0343 2.0503 5.0099 5.1086 5.1657 5.2308 12.4004 12.4629 12.7837 12.8107 16.0800 16.3091 16.6851 16.7109 19.7246 19.7795 k = 0.5000-0.0796 0.5561 ( 1536 PWs) bands (ev): -10.9142 -10.8634 -10.8202 -10.8088 -9.9680 -9.8551 -9.8073 -9.7929 -9.7766 -9.7627 -2.8204 -2.8073 2.0421 2.0586 4.9852 5.0831 5.1411 5.2102 12.5433 12.6006 12.8839 12.9132 15.8911 16.1281 16.5634 16.5925 19.7367 19.7913 k = 0.5000-0.0697 0.5631 ( 1536 PWs) bands (ev): -10.9146 -10.8626 -10.8203 -10.8087 -9.9693 -9.8520 -9.8098 -9.7933 -9.7757 -9.7634 -2.8182 -2.8048 2.0492 2.0662 4.9629 5.0600 5.1189 5.1917 12.6867 12.7371 12.9800 13.0118 15.7069 15.9531 16.4480 16.4805 19.7474 19.8018 k = 0.5000-0.0597 0.5701 ( 1544 PWs) bands (ev): -10.9150 -10.8619 -10.8203 -10.8085 -9.9704 -9.8488 -9.8125 -9.7937 -9.7748 -9.7641 -2.8162 -2.8025 2.0557 2.0731 4.9431 5.0394 5.0992 5.1753 12.8287 12.8705 13.0703 13.1046 15.5295 15.7862 16.3408 16.3765 19.7568 19.8111 k = 0.5000-0.0498 0.5772 ( 1544 PWs) bands (ev): -10.9152 -10.8613 -10.8204 -10.8084 -9.9713 -9.8457 -9.8152 -9.7940 -9.7739 -9.7649 -2.8145 -2.8005 2.0613 2.0791 4.9260 5.0216 5.0822 5.1613 12.9668 12.9980 13.1526 13.1895 15.3613 15.6302 16.2437 16.2826 19.7649 19.8190 k = 0.5000-0.0398 0.5842 ( 1548 PWs) bands (ev): -10.9155 -10.8608 -10.8204 -10.8083 -9.9721 -9.8425 -9.8180 -9.7942 -9.7730 -9.7657 -2.8131 -2.7989 2.0660 2.0842 4.9118 5.0068 5.0681 5.1496 13.0971 13.1158 13.2249 13.2640 15.2062 15.4891 16.1591 16.2010 19.7715 19.8255 k = 0.5000-0.0299 0.5913 ( 1544 PWs) bands (ev): -10.9157 -10.8604 -10.8204 -10.8083 -9.9727 -9.8394 -9.8210 -9.7943 -9.7721 -9.7665 -2.8119 -2.7976 2.0698 2.0882 4.9007 4.9950 5.0570 5.1404 13.2140 13.2189 13.2849 13.3257 15.0696 15.3679 16.0896 16.1341 19.7767 19.8307 k = 0.5000-0.0199 0.5983 ( 1540 PWs) bands (ev): -10.9158 -10.8601 -10.8204 -10.8082 -9.9732 -9.8363 -9.8239 -9.7944 -9.7712 -9.7673 -2.8111 -2.7966 2.0725 2.0911 4.8926 4.9866 5.0491 5.1338 13.3008 13.3075 13.3322 13.3719 14.9597 15.2732 16.0377 16.0843 19.7804 19.8344 k = 0.5000-0.0100 0.6053 ( 1540 PWs) bands (ev): -10.9159 -10.8600 -10.8205 -10.8082 -9.9734 -9.8332 -9.8269 -9.7945 -9.7704 -9.7681 -2.8106 -2.7961 2.0742 2.0929 4.8877 4.9815 5.0442 5.1298 13.3525 13.3543 13.3796 13.4004 14.8869 15.2122 16.0055 16.0534 19.7827 19.8366 k = 0.5000-0.0000 0.6124 ( 1540 PWs) bands (ev): -10.9159 -10.8599 -10.8205 -10.8082 -9.9735 -9.8307 -9.8294 -9.7945 -9.7700 -9.7685 -2.8104 -2.7959 2.0747 2.0935 4.8861 4.9798 5.0426 5.1285 13.3631 13.3731 13.4014 13.4100 14.8611 15.1910 15.9946 16.0430 19.7834 19.8373 k = 0.5000-0.0000 0.6124 ( 1540 PWs) bands (ev): -10.9159 -10.8599 -10.8205 -10.8082 -9.9735 -9.8307 -9.8294 -9.7945 -9.7700 -9.7685 -2.8104 -2.7959 2.0747 2.0935 4.8861 4.9798 5.0426 5.1285 13.3631 13.3731 13.4014 13.4100 14.8611 15.1910 15.9946 16.0430 19.7834 19.8373 k = 0.4940 0.0103 0.6124 ( 1540 PWs) bands (ev): -10.9159 -10.8599 -10.8205 -10.8082 -9.9735 -9.8323 -9.8278 -9.7945 -9.7702 -9.7682 -2.8111 -2.7965 2.0749 2.0936 4.8789 4.9777 5.0476 5.1392 13.3268 13.3580 13.3986 13.4324 14.8720 15.1986 16.0036 16.0551 19.7702 19.8314 k = 0.4881 0.0206 0.6124 ( 1544 PWs) bands (ev): -10.9158 -10.8600 -10.8205 -10.8082 -9.9733 -9.8344 -9.8258 -9.7945 -9.7707 -9.7678 -2.8129 -2.7984 2.0751 2.0938 4.8605 4.9656 5.0686 5.1673 13.2617 13.2869 13.4204 13.4535 14.9057 15.2232 16.0298 16.0876 19.7333 19.8115 k = 0.4821 0.0309 0.6124 ( 1546 PWs) bands (ev): -10.9156 -10.8602 -10.8206 -10.8082 -9.9729 -9.8366 -9.8238 -9.7946 -9.7712 -9.7672 -2.8158 -2.8014 2.0753 2.0939 4.8370 4.9446 5.1049 5.2061 13.1741 13.1924 13.4388 13.4700 14.9613 15.2660 16.0712 16.1352 19.6774 19.7753 k = 0.4762 0.0412 0.6124 ( 1542 PWs) bands (ev): -10.9154 -10.8604 -10.8208 -10.8082 -9.9725 -9.8389 -9.8219 -9.7946 -9.7718 -9.7666 -2.8195 -2.8052 2.0754 2.0938 4.8118 4.9202 5.1505 5.2519 13.0663 13.0819 13.4535 13.4824 15.0357 15.3259 16.1256 16.1946 19.6060 19.7229 k = 0.4702 0.0515 0.6124 ( 1541 PWs) bands (ev): -10.9151 -10.8607 -10.8210 -10.8081 -9.9719 -9.8412 -9.8200 -9.7947 -9.7723 -9.7661 -2.8238 -2.8098 2.0753 2.0936 4.7863 4.8950 5.2025 5.3028 12.9421 12.9615 13.4648 13.4913 15.1254 15.4011 16.1905 16.2632 19.5217 19.6556 k = 0.4643 0.0619 0.6124 ( 1537 PWs) bands (ev): -10.9148 -10.8610 -10.8212 -10.8081 -9.9712 -9.8435 -9.8182 -9.7948 -9.7728 -9.7655 -2.8287 -2.8149 2.0749 2.0930 4.7615 4.8701 5.2591 5.3575 12.8079 12.8337 13.4733 13.4973 15.2272 15.4891 16.2639 16.3390 19.4267 19.5753 k = 0.4583 0.0722 0.6124 ( 1531 PWs) bands (ev): -10.9145 -10.8614 -10.8214 -10.8081 -9.9705 -9.8458 -9.8165 -9.7949 -9.7733 -9.7650 -2.8341 -2.8204 2.0743 2.0923 4.7375 4.8461 5.3192 5.4151 12.6690 12.7008 13.4794 13.5009 15.3384 15.5876 16.3438 16.4204 19.3228 19.4841 k = 0.4524 0.0825 0.6124 ( 1535 PWs) bands (ev): -10.9141 -10.8619 -10.8216 -10.8080 -9.9696 -9.8480 -9.8148 -9.7950 -9.7738 -9.7644 -2.8396 -2.8262 2.0734 2.0912 4.7148 4.8232 5.3818 5.4747 12.5288 12.5655 13.4834 13.5026 15.4571 15.6947 16.4285 16.5058 19.2114 19.3836 k = 0.4464 0.0928 0.6124 ( 1537 PWs) bands (ev): -10.9136 -10.8624 -10.8219 -10.8079 -9.9687 -9.8502 -9.8132 -9.7951 -9.7742 -9.7639 -2.8453 -2.8321 2.0723 2.0900 4.6934 4.8016 5.4462 5.5355 12.3901 12.4304 13.4858 13.5027 15.5817 15.8088 16.5167 16.5940 19.0938 19.2756 k = 0.4405 0.1031 0.6124 ( 1537 PWs) bands (ev): -10.9132 -10.8630 -10.8221 -10.8079 -9.9677 -9.8524 -9.8117 -9.7953 -9.7746 -9.7634 -2.8510 -2.8380 2.0710 2.0885 4.6734 4.7814 5.5113 5.5964 12.2551 12.2976 13.4868 13.5017 15.7111 15.9283 16.6068 16.6837 18.9711 19.1613 k = 0.4345 0.1134 0.6124 ( 1537 PWs) bands (ev): -10.9127 -10.8635 -10.8223 -10.8078 -9.9667 -9.8545 -9.8102 -9.7955 -9.7750 -9.7630 -2.8565 -2.8438 2.0695 2.0869 4.6550 4.7629 5.5762 5.6566 12.1256 12.1690 13.4868 13.4999 15.8443 16.0521 16.6974 16.7735 18.8441 19.0420 k = 0.4286 0.1237 0.6124 ( 1537 PWs) bands (ev): -10.9122 -10.8641 -10.8226 -10.8077 -9.9657 -9.8565 -9.8089 -9.7958 -9.7753 -9.7626 -2.8618 -2.8494 2.0680 2.0853 4.6382 4.7459 5.6399 5.7150 12.0033 12.0464 13.4861 13.4975 15.9805 16.1791 16.7870 16.8621 18.7138 18.9190 k = 0.4226 0.1340 0.6124 ( 1535 PWs) bands (ev): -10.9117 -10.8647 -10.8228 -10.8076 -9.9647 -9.8584 -9.8076 -9.7960 -9.7756 -9.7622 -2.8669 -2.8546 2.0665 2.0836 4.6230 4.7306 5.7015 5.7707 11.8896 11.9313 13.4849 13.4948 16.1189 16.3082 16.8742 16.9480 18.5811 18.7932 k = 0.4167 0.1443 0.6124 ( 1538 PWs) bands (ev): -10.9113 -10.8653 -10.8230 -10.8076 -9.9638 -9.8601 -9.8064 -9.7963 -9.7759 -9.7619 -2.8715 -2.8594 2.0649 2.0819 4.6096 4.7170 5.7598 5.8225 11.7859 11.8253 13.4833 13.4920 16.2589 16.4384 16.9571 17.0295 18.4469 18.6659 k = 0.4107 0.1546 0.6124 ( 1537 PWs) bands (ev): -10.9108 -10.8658 -10.8231 -10.8075 -9.9629 -9.8617 -9.8053 -9.7967 -9.7761 -9.7616 -2.8756 -2.8638 2.0635 2.0804 4.5979 4.7052 5.8139 5.8694 11.6936 11.7295 13.4816 13.4893 16.3997 16.5683 17.0340 17.1046 18.3125 18.5385 k = 0.4048 0.1650 0.6124 ( 1538 PWs) bands (ev): -10.9104 -10.8663 -10.8233 -10.8074 -9.9621 -9.8630 -9.8043 -9.7970 -9.7762 -9.7613 -2.8793 -2.8675 2.0622 2.0790 4.5879 4.6951 5.8626 5.9104 11.6137 11.6454 13.4798 13.4868 16.5403 16.6961 17.1027 17.1710 18.1798 18.4130 k = 0.3988 0.1753 0.6124 ( 1530 PWs) bands (ev): -10.9101 -10.8668 -10.8234 -10.8074 -9.9614 -9.8642 -9.8033 -9.7974 -9.7764 -9.7611 -2.8823 -2.8707 2.0611 2.0778 4.5797 4.6868 5.9050 5.9446 11.5474 11.5742 13.4783 13.4847 16.6794 16.8194 17.1607 17.2255 18.0516 18.2920 k = 0.3929 0.1856 0.6124 ( 1530 PWs) bands (ev): -10.9098 -10.8671 -10.8235 -10.8073 -9.9608 -9.8651 -9.8025 -9.7979 -9.7765 -9.7609 -2.8847 -2.8732 2.0601 2.0768 4.5733 4.6804 5.9401 5.9711 11.4956 11.5168 13.4769 13.4829 16.8149 16.9343 17.2055 17.2637 17.9332 18.1800 k = 0.3869 0.1959 0.6124 ( 1531 PWs) bands (ev): -10.9096 -10.8674 -10.8236 -10.8073 -9.9604 -9.8658 -9.8018 -9.7983 -9.7766 -9.7608 -2.8864 -2.8750 2.0595 2.0761 4.5688 4.6758 5.9669 5.9895 11.4588 11.4743 13.4759 13.4816 16.9426 17.0349 17.2340 17.2785 17.8338 18.0844 k = 0.3810 0.2062 0.6124 ( 1528 PWs) bands (ev): -10.9094 -10.8675 -10.8236 -10.8073 -9.9602 -9.8662 -9.8012 -9.7986 -9.7766 -9.7607 -2.8875 -2.8761 2.0590 2.0756 4.5660 4.6730 5.9845 5.9995 11.4374 11.4476 13.4752 13.4809 17.0517 17.1124 17.2430 17.2644 17.7670 18.0167 k = 0.3750 0.2165 0.6124 ( 1528 PWs) bands (ev): -10.9094 -10.8676 -10.8236 -10.8073 -9.9601 -9.8664 -9.8010 -9.7988 -9.7766 -9.7607 -2.8878 -2.8765 2.0589 2.0755 4.5651 4.6721 5.9910 6.0022 11.4307 11.4382 13.4750 13.4806 17.1033 17.1520 17.2278 17.2525 17.7439 17.9916 k = 0.3750 0.2165 0.6124 ( 1528 PWs) bands (ev): -10.9094 -10.8676 -10.8236 -10.8073 -9.9601 -9.8664 -9.8010 -9.7988 -9.7766 -9.7607 -2.8878 -2.8765 2.0589 2.0755 4.5651 4.6721 5.9910 6.0022 11.4307 11.4382 13.4750 13.4806 17.1033 17.1520 17.2278 17.2525 17.7439 17.9916 k = 0.3690 0.2130 0.6025 ( 1528 PWs) bands (ev): -10.9092 -10.8671 -10.8241 -10.8071 -9.9606 -9.8645 -9.8035 -9.7992 -9.7759 -9.7611 -2.8990 -2.8876 2.0731 2.0901 4.5348 4.6418 6.0275 6.0389 11.4680 11.4774 13.6106 13.6119 17.0040 17.0504 17.1417 17.1755 17.6564 17.9072 k = 0.3629 0.2095 0.5926 ( 1532 PWs) bands (ev): -10.9090 -10.8666 -10.8246 -10.8070 -9.9609 -9.8627 -9.8061 -9.7996 -9.7751 -9.7615 -2.9122 -2.9009 2.0884 2.1058 4.5104 4.6173 6.0653 6.0768 11.5057 11.5169 13.7303 13.7390 16.8955 16.9420 17.0571 17.1006 17.5951 17.8459 k = 0.3569 0.2060 0.5827 ( 1532 PWs) bands (ev): -10.9086 -10.8662 -10.8252 -10.8070 -9.9611 -9.8610 -9.8088 -9.8000 -9.7744 -9.7620 -2.9276 -2.9163 2.1050 2.1227 4.4923 4.5989 6.1043 6.1159 11.5437 11.5565 13.8380 13.8545 16.7826 16.8319 16.9649 17.0185 17.5662 17.8141 k = 0.3508 0.2025 0.5729 ( 1528 PWs) bands (ev): -10.9082 -10.8658 -10.8257 -10.8070 -9.9611 -9.8593 -9.8114 -9.8005 -9.7736 -9.7624 -2.9453 -2.9342 2.1232 2.1410 4.4804 4.5866 6.1444 6.1562 11.5818 11.5962 13.9324 13.9567 16.6678 16.7222 16.8627 16.9254 17.5718 17.8154 k = 0.3448 0.1990 0.5630 ( 1528 PWs) bands (ev): -10.9077 -10.8655 -10.8262 -10.8071 -9.9610 -9.8578 -9.8140 -9.8009 -9.7730 -9.7628 -2.9654 -2.9546 2.1433 2.1609 4.4747 4.5805 6.1856 6.1976 11.6198 11.6356 14.0127 14.0446 16.5520 16.6137 16.7526 16.8212 17.6103 17.8499 k = 0.3387 0.1956 0.5531 ( 1522 PWs) bands (ev): -10.9071 -10.8653 -10.8268 -10.8073 -9.9607 -9.8562 -9.8167 -9.8013 -9.7723 -9.7632 -2.9880 -2.9775 2.1654 2.1829 4.4752 4.5805 6.2278 6.2400 11.6576 11.6746 14.0788 14.1177 16.4352 16.5068 16.6380 16.7081 17.6789 17.9159 k = 0.3327 0.1921 0.5432 ( 1516 PWs) bands (ev): -10.9064 -10.8650 -10.8273 -10.8076 -9.9602 -9.8548 -9.8193 -9.8018 -9.7718 -9.7637 -3.0131 -3.0031 2.1900 2.2070 4.4819 4.5866 6.2710 6.2833 11.6948 11.7129 14.1310 14.1762 16.3175 16.4016 16.5220 16.5886 17.7745 18.0104 k = 0.3266 0.1886 0.5334 ( 1524 PWs) bands (ev): -10.9057 -10.8649 -10.8279 -10.8080 -9.9596 -9.8534 -9.8219 -9.8022 -9.7712 -9.7641 -3.0408 -3.0313 2.2172 2.2336 4.4945 4.5986 6.3149 6.3275 11.7311 11.7502 14.1704 14.2211 16.1985 16.2983 16.4067 16.4650 17.8945 18.1302 k = 0.3206 0.1851 0.5235 ( 1524 PWs) bands (ev): -10.9049 -10.8647 -10.8284 -10.8085 -9.9589 -9.8520 -9.8246 -9.8026 -9.7708 -9.7645 -3.0711 -3.0622 2.2473 2.2630 4.5129 4.6164 6.3597 6.3724 11.7663 11.7862 14.1984 14.2539 16.0782 16.1969 16.2938 16.3390 18.0362 18.2725 k = 0.3145 0.1816 0.5136 ( 1524 PWs) bands (ev): -10.9040 -10.8647 -10.8290 -10.8090 -9.9580 -9.8508 -9.8271 -9.8031 -9.7704 -9.7649 -3.1041 -3.0957 2.2806 2.2954 4.5369 4.6399 6.4051 6.4180 11.8000 11.8205 14.2167 14.2763 15.9566 16.0974 16.1842 16.2120 18.1966 18.4343 k = 0.3085 0.1781 0.5037 ( 1524 PWs) bands (ev): -10.9031 -10.8646 -10.8295 -10.8096 -9.9570 -9.8496 -9.8296 -9.8035 -9.7701 -9.7653 -3.1395 -3.1318 2.3174 2.3310 4.5662 4.6687 6.4511 6.4643 11.8318 11.8527 14.2273 14.2903 15.8342 15.9995 16.0781 16.0852 18.3725 18.6127 k = 0.3024 0.1746 0.4938 ( 1524 PWs) bands (ev): -10.9021 -10.8645 -10.8301 -10.8104 -9.9559 -9.8485 -9.8321 -9.8039 -9.7698 -9.7658 -3.1775 -3.1705 2.3578 2.3701 4.6008 4.7028 6.4976 6.5110 11.8613 11.8823 14.2319 14.2980 15.7113 15.9023 15.9603 15.9757 18.5582 18.7989 k = 0.2964 0.1711 0.4840 ( 1530 PWs) bands (ev): -10.9010 -10.8645 -10.8307 -10.8112 -9.9547 -9.8476 -9.8344 -9.8043 -9.7696 -9.7662 -3.2179 -3.2116 2.4020 2.4129 4.6402 4.7418 6.5445 6.5582 11.8879 11.9090 14.2323 14.3013 15.5884 15.8020 15.8417 15.8769 18.7165 18.7710 k = 0.2903 0.1676 0.4741 ( 1530 PWs) bands (ev): -10.8999 -10.8645 -10.8312 -10.8120 -9.9534 -9.8469 -9.8364 -9.8047 -9.7695 -9.7666 -3.2606 -3.2550 2.4501 2.4595 4.6843 4.7855 6.5918 6.6057 11.9114 11.9322 14.2301 14.3020 15.4662 15.6908 15.7376 15.7814 18.6810 18.6944 k = 0.2843 0.1641 0.4642 ( 1530 PWs) bands (ev): -10.8987 -10.8645 -10.8318 -10.8130 -9.9520 -9.8467 -9.8380 -9.8051 -9.7695 -9.7670 -3.3055 -3.3007 2.5024 2.5100 4.7328 4.8337 6.6393 6.6534 11.9311 11.9515 14.2269 14.3016 15.3451 15.5719 15.6451 15.6890 18.5931 18.6154 k = 0.2782 0.1606 0.4543 ( 1530 PWs) bands (ev): -10.8975 -10.8645 -10.8324 -10.8140 -9.9505 -9.8472 -9.8388 -9.8055 -9.7696 -9.7674 -3.3525 -3.3483 2.5588 2.5646 4.7854 4.8861 6.6869 6.7013 11.9468 11.9665 14.2238 14.3016 15.2255 15.4522 15.5577 15.5995 18.5083 18.5336 k = 0.2722 0.1571 0.4445 ( 1534 PWs) bands (ev): -10.8963 -10.8645 -10.8330 -10.8151 -9.9490 -9.8484 -9.8389 -9.8058 -9.7698 -9.7678 -3.4013 -3.3979 2.6194 2.6233 4.8421 4.9425 6.7345 6.7492 11.9579 11.9767 14.2219 14.3029 15.1079 15.3339 15.4735 15.5128 18.4270 18.4539 k = 0.2661 0.1536 0.4346 ( 1530 PWs) bands (ev): -10.8950 -10.8645 -10.8335 -10.8163 -9.9474 -9.8502 -9.8384 -9.8062 -9.7700 -9.7682 -3.4519 -3.4491 2.6843 2.6861 4.9025 5.0028 6.7822 6.7970 11.9642 11.9819 14.2220 14.3065 14.9925 15.2178 15.3919 15.4287 18.3496 18.3773 k = 0.2601 0.1502 0.4247 ( 1530 PWs) bands (ev): -10.8936 -10.8646 -10.8341 -10.8175 -9.9457 -9.8523 -9.8376 -9.8065 -9.7704 -9.7687 -3.5040 -3.5019 2.7531 2.7534 4.9663 5.0665 6.8296 6.8447 11.9653 11.9817 14.2247 14.3129 14.8799 15.1043 15.3128 15.3470 18.2761 18.3045 k = 0.2540 0.1467 0.4148 ( 1538 PWs) bands (ev): -10.8922 -10.8646 -10.8347 -10.8188 -9.9440 -9.8544 -9.8367 -9.8068 -9.7708 -9.7691 -3.5575 -3.5560 2.8243 2.8267 5.0335 5.1336 6.8768 6.8922 11.9611 11.9759 14.2302 14.3224 14.7704 14.9938 15.2360 15.2678 18.2069 18.2357 k = 0.2480 0.1432 0.4050 ( 1538 PWs) bands (ev): -10.8908 -10.8646 -10.8353 -10.8201 -9.9422 -9.8566 -9.8358 -9.8071 -9.7713 -9.7696 -3.6121 -3.6113 2.8997 2.9043 5.1037 5.2038 6.9237 6.9393 11.9515 11.9646 14.2384 14.3345 14.6649 14.8868 15.1617 15.1909 18.1422 18.1714 k = 0.2419 0.1397 0.3951 ( 1532 PWs) bands (ev): -10.8894 -10.8646 -10.8359 -10.8214 -9.9404 -9.8588 -9.8348 -9.8074 -9.7719 -9.7701 -3.6678 -3.6675 2.9792 2.9860 5.1768 5.2770 6.9701 6.9859 11.9364 11.9477 14.2490 14.3475 14.5654 14.7838 15.0899 15.1162 18.0823 18.1116 k = 0.2359 0.1362 0.3852 ( 1536 PWs) bands (ev): -10.8880 -10.8646 -10.8364 -10.8228 -9.9386 -9.8610 -9.8337 -9.8076 -9.7726 -9.7706 -3.7245 -3.7243 3.0627 3.0717 5.2526 5.3527 7.0160 7.0321 11.9161 11.9253 14.2607 14.3525 14.4806 14.6856 15.0206 15.0438 18.0271 18.0567 k = 0.2298 0.1327 0.3753 ( 1536 PWs) bands (ev): -10.8865 -10.8646 -10.8370 -10.8242 -9.9368 -9.8631 -9.8327 -9.8078 -9.7733 -9.7711 -3.7820 -3.7814 3.1503 3.1614 5.3308 5.4310 7.0613 7.0776 11.8906 11.8977 14.2714 14.3164 14.4436 14.5942 14.9542 14.9736 17.9771 18.0069 k = 0.2238 0.1292 0.3654 ( 1536 PWs) bands (ev): -10.8850 -10.8646 -10.8376 -10.8257 -9.9350 -9.8653 -9.8316 -9.8080 -9.7741 -9.7716 -3.8400 -3.8390 3.2417 3.2551 5.4113 5.5116 7.1059 7.1223 11.8602 11.8651 14.2388 14.2760 14.4541 14.5137 14.8911 14.9056 17.9323 17.9623 k = 0.2177 0.1257 0.3556 ( 1538 PWs) bands (ev): -10.8836 -10.8645 -10.8382 -10.8271 -9.9331 -9.8674 -9.8305 -9.8081 -9.7750 -9.7722 -3.8982 -3.8968 3.3370 3.3525 5.4939 5.5942 7.1497 7.1663 11.8251 11.8277 14.1531 14.2636 14.4539 14.4781 14.8320 14.8403 17.8930 17.9231 k = 0.2117 0.1222 0.3457 ( 1538 PWs) bands (ev): -10.8821 -10.8645 -10.8388 -10.8286 -9.9313 -9.8694 -9.8294 -9.8082 -9.7760 -9.7728 -3.9564 -3.9548 3.4360 3.4536 5.5783 5.6786 7.1926 7.2094 11.7857 11.7859 14.0681 14.2228 14.4241 14.5054 14.7780 14.7781 17.8592 17.8894 k = 0.2056 0.1187 0.3358 ( 1538 PWs) bands (ev): -10.8806 -10.8644 -10.8393 -10.8301 -9.9295 -9.8714 -9.8283 -9.8083 -9.7769 -9.7734 -4.0145 -4.0127 3.5387 3.5584 5.6643 5.7648 7.2346 7.2516 11.7400 11.7423 13.9858 14.1606 14.4148 14.5314 14.7211 14.7314 17.8312 17.8615 k = 0.1996 0.1152 0.3259 ( 1538 PWs) bands (ev): -10.8791 -10.8644 -10.8399 -10.8315 -9.9277 -9.8733 -9.8272 -9.8084 -9.7780 -9.7740 -4.0724 -4.0703 3.6449 3.6666 5.7518 5.8523 7.2756 7.2927 11.6904 11.6951 13.9071 14.0905 14.4089 14.5478 14.6758 14.6948 17.8091 17.8394 k = 0.1935 0.1117 0.3161 ( 1538 PWs) bands (ev): -10.8777 -10.8643 -10.8405 -10.8330 -9.9259 -9.8752 -9.8261 -9.8084 -9.7791 -9.7747 -4.1298 -4.1276 3.7545 3.7782 5.8406 5.9410 7.3155 7.3327 11.6372 11.6445 13.8321 14.0193 14.3957 14.5371 14.6586 14.6712 17.7929 17.8233 k = 0.1875 0.1083 0.3062 ( 1530 PWs) bands (ev): -10.8763 -10.8642 -10.8411 -10.8345 -9.9242 -9.8771 -9.8250 -9.8084 -9.7802 -9.7754 -4.1867 -4.1844 3.8675 3.8930 5.9304 6.0308 7.3543 7.3716 11.5807 11.5906 13.7612 13.9497 14.3715 14.4979 14.6608 14.6700 17.7828 17.8133 k = 0.1815 0.1048 0.2963 ( 1530 PWs) bands (ev): -10.8749 -10.8641 -10.8417 -10.8359 -9.9225 -9.8789 -9.8238 -9.8083 -9.7813 -9.7761 -4.2428 -4.2405 3.9837 4.0109 6.0210 6.1213 7.3918 7.4092 11.5213 11.5338 13.6945 13.8829 14.3375 14.4483 14.6600 14.6904 17.7788 17.8094 k = 0.1754 0.1013 0.2864 ( 1530 PWs) bands (ev): -10.8735 -10.8640 -10.8422 -10.8373 -9.9209 -9.8806 -9.8227 -9.8082 -9.7825 -9.7769 -4.2982 -4.2958 4.1029 4.1319 6.1122 6.2123 7.4281 7.4456 11.4591 11.4742 13.6320 13.8195 14.2971 14.3964 14.6642 14.7109 17.7810 17.8116 k = 0.1694 0.0978 0.2766 ( 1530 PWs) bands (ev): -10.8722 -10.8638 -10.8428 -10.8387 -9.9193 -9.8823 -9.8216 -9.8081 -9.7836 -9.7776 -4.3526 -4.3503 4.2252 4.2557 6.2038 6.3036 7.4632 7.4807 11.3943 11.4119 13.5738 13.7599 14.2532 14.3445 14.6692 14.7279 17.7895 17.8200 k = 0.1633 0.0943 0.2667 ( 1526 PWs) bands (ev): -10.8709 -10.8637 -10.8434 -10.8401 -9.9178 -9.8839 -9.8204 -9.8080 -9.7848 -9.7784 -4.4060 -4.4036 4.3503 4.3823 6.2954 6.3949 7.4969 7.5145 11.3271 11.3471 13.5200 13.7041 14.2077 14.2935 14.6720 14.7398 17.8042 17.8348 k = 0.1573 0.0908 0.2568 ( 1526 PWs) bands (ev): -10.8696 -10.8635 -10.8440 -10.8414 -9.9163 -9.8854 -9.8193 -9.8078 -9.7860 -9.7793 -4.4581 -4.4559 4.4781 4.5116 6.3870 6.4859 7.5292 7.5469 11.2575 11.2799 13.4707 13.6524 14.1617 14.2437 14.6706 14.7452 17.8252 17.8557 k = 0.1512 0.0873 0.2469 ( 1520 PWs) bands (ev): -10.8684 -10.8633 -10.8446 -10.8427 -9.9149 -9.8869 -9.8182 -9.8075 -9.7871 -9.7801 -4.5091 -4.5069 4.6086 4.6433 6.4781 6.5765 7.5602 7.5779 11.1857 11.2103 13.4257 13.6046 14.1161 14.1952 14.6636 14.7433 17.8523 17.8828 k = 0.1452 0.0838 0.2370 ( 1520 PWs) bands (ev): -10.8673 -10.8631 -10.8452 -10.8440 -9.9135 -9.8883 -9.8171 -9.8073 -9.7883 -9.7810 -4.5586 -4.5566 4.7415 4.7774 6.5686 6.6663 7.5898 7.6075 11.1118 11.1384 13.3851 13.5609 14.0712 14.1483 14.6500 14.7333 17.8857 17.9161 k = 0.1391 0.0803 0.2272 ( 1516 PWs) bands (ev): -10.8662 -10.8629 -10.8457 -10.8452 -9.9122 -9.8896 -9.8160 -9.8070 -9.7894 -9.7819 -4.6068 -4.6048 4.8768 4.9137 6.6583 6.7551 7.6181 7.6357 11.0357 11.0642 13.3489 13.5211 14.0274 14.1031 14.6293 14.7149 17.9252 17.9554 k = 0.1331 0.0768 0.2173 ( 1516 PWs) bands (ev): -10.8651 -10.8627 -10.8464 -10.8463 -9.9110 -9.8909 -9.8149 -9.8067 -9.7905 -9.7828 -4.6534 -4.6516 5.0143 5.0521 6.7467 6.8425 7.6449 7.6625 10.9575 10.9876 13.3170 13.4851 13.9850 14.0596 14.6013 14.6879 17.9706 18.0007 k = 0.1270 0.0733 0.2074 ( 1512 PWs) bands (ev): -10.8641 -10.8624 -10.8475 -10.8469 -9.9099 -9.8921 -9.8138 -9.8063 -9.7915 -9.7838 -4.6984 -4.6967 5.1539 5.1924 6.8337 6.9283 7.6703 7.6878 10.8771 10.9086 13.2892 13.4528 13.9443 14.0178 14.5662 14.6526 18.0220 18.0519 k = 0.1210 0.0698 0.1975 ( 1512 PWs) bands (ev): -10.8632 -10.8622 -10.8486 -10.8475 -9.9089 -9.8932 -9.8128 -9.8059 -9.7925 -9.7847 -4.7417 -4.7402 5.2954 5.3345 6.9190 7.0122 7.6944 7.7118 10.7946 10.8271 13.2654 13.4240 13.9054 13.9781 14.5244 14.6095 18.0791 18.1088 k = 0.1149 0.0663 0.1877 ( 1518 PWs) bands (ev): -10.8624 -10.8619 -10.8496 -10.8481 -9.9079 -9.8943 -9.8117 -9.8055 -9.7935 -9.7856 -4.7833 -4.7820 5.4387 5.4783 7.0022 7.0939 7.7171 7.7345 10.7098 10.7431 13.2454 13.3983 13.8687 13.9403 14.4767 14.5594 18.1418 18.1712 k = 0.1089 0.0629 0.1778 ( 1518 PWs) bands (ev): -10.8617 -10.8616 -10.8505 -10.8486 -9.9070 -9.8953 -9.8107 -9.8051 -9.7944 -9.7866 -4.8231 -4.8219 5.5835 5.6235 7.0832 7.1731 7.7384 7.7558 10.6228 10.6565 13.2289 13.3754 13.8344 13.9047 14.4240 14.5033 18.2099 18.2390 k = 0.1028 0.0594 0.1679 ( 1516 PWs) bands (ev): -10.8614 -10.8608 -10.8514 -10.8492 -9.9062 -9.8962 -9.8097 -9.8047 -9.7953 -9.7875 -4.8611 -4.8600 5.7299 5.7699 7.1616 7.2495 7.7585 7.7757 10.5334 10.5671 13.2157 13.3549 13.8028 13.8713 14.3674 14.4423 18.2832 18.3119 k = 0.0968 0.0559 0.1580 ( 1514 PWs) bands (ev): -10.8611 -10.8602 -10.8522 -10.8498 -9.9055 -9.8970 -9.8087 -9.8042 -9.7961 -9.7885 -4.8971 -4.8962 5.8774 5.9174 7.2372 7.3228 7.7772 7.7945 10.4416 10.4749 13.2053 13.3361 13.7743 13.8405 14.3081 14.3778 18.3613 18.3896 k = 0.0907 0.0524 0.1482 ( 1514 PWs) bands (ev): -10.8608 -10.8596 -10.8530 -10.8503 -9.9048 -9.8977 -9.8078 -9.8038 -9.7968 -9.7894 -4.9312 -4.9305 6.0259 6.0658 7.3096 7.3927 7.7948 7.8119 10.3473 10.3799 13.1973 13.3187 13.7492 13.8122 14.2473 14.3111 18.4440 18.4719 k = 0.0847 0.0489 0.1383 ( 1514 PWs) bands (ev): -10.8606 -10.8590 -10.8537 -10.8509 -9.9042 -9.8984 -9.8069 -9.8033 -9.7975 -9.7904 -4.9633 -4.9627 6.1753 6.2147 7.3787 7.4590 7.8111 7.8282 10.2505 10.2818 13.1912 13.3019 13.7278 13.7867 14.1864 14.2435 18.5310 18.5582 k = 0.0786 0.0454 0.1284 ( 1510 PWs) bands (ev): -10.8603 -10.8586 -10.8543 -10.8515 -9.9037 -9.8990 -9.8061 -9.8029 -9.7981 -9.7913 -4.9934 -4.9928 6.3251 6.3640 7.4441 7.5214 7.8264 7.8434 10.1510 10.1808 13.1864 13.2853 13.7104 13.7643 14.1264 14.1765 18.6217 18.6483 k = 0.0726 0.0419 0.1185 ( 1510 PWs) bands (ev): -10.8600 -10.8581 -10.8549 -10.8520 -9.9033 -9.8996 -9.8053 -9.8025 -9.7987 -9.7922 -5.0214 -5.0209 6.4752 6.5133 7.5056 7.5796 7.8405 7.8575 10.0491 10.0769 13.1823 13.2684 13.6971 13.7450 14.0683 14.1112 18.7157 18.7416 k = 0.0665 0.0384 0.1086 ( 1498 PWs) bands (ev): -10.8597 -10.8578 -10.8554 -10.8525 -9.9029 -9.9000 -9.8045 -9.8021 -9.7992 -9.7930 -5.0472 -5.0469 6.6250 6.6622 7.5630 7.6334 7.8538 7.8706 9.9446 9.9702 13.1783 13.2510 13.6880 13.7292 14.0132 14.0488 18.8123 18.8375 k = 0.0605 0.0349 0.0988 ( 1498 PWs) bands (ev): -10.8594 -10.8575 -10.8558 -10.8530 -9.9026 -9.9004 -9.8038 -9.8017 -9.7996 -9.7939 -5.0710 -5.0707 6.7743 6.8102 7.6160 7.6825 7.8662 7.8828 9.8378 9.8609 13.1738 13.2330 13.6828 13.7168 13.9617 13.9903 18.9108 18.9351 k = 0.0544 0.0314 0.0889 ( 1484 PWs) bands (ev): -10.8592 -10.8573 -10.8562 -10.8535 -9.9024 -9.9008 -9.8031 -9.8013 -9.7999 -9.7947 -5.0925 -5.0923 6.9223 6.9568 7.6645 7.7266 7.8780 7.8942 9.7290 9.7493 13.1684 13.2146 13.6810 13.7078 13.9145 13.9365 19.0103 19.0335 k = 0.0484 0.0279 0.0790 ( 1482 PWs) bands (ev): -10.8589 -10.8571 -10.8565 -10.8540 -9.9022 -9.9011 -9.8025 -9.8009 -9.8002 -9.7955 -5.1118 -5.1117 7.0684 7.1012 7.7083 7.7655 7.8894 7.9049 9.6187 9.6359 13.1619 13.1962 13.6820 13.7021 13.8719 13.8880 19.1095 19.1315 k = 0.0423 0.0244 0.0691 ( 1478 PWs) bands (ev): -10.8586 -10.8569 -10.8567 -10.8545 -9.9021 -9.9013 -9.8020 -9.8006 -9.8004 -9.7962 -5.1290 -5.1289 7.2116 7.2423 7.7473 7.7988 7.9007 7.9150 9.5075 9.5216 13.1543 13.1782 13.6852 13.6993 13.8342 13.8453 19.2071 19.2276 k = 0.0363 0.0210 0.0593 ( 1470 PWs) bands (ev): -10.8584 -10.8569 -10.8568 -10.8549 -9.9019 -9.9015 -9.8015 -9.8006 -9.8004 -9.7969 -5.1439 -5.1438 7.3502 7.3786 7.7815 7.8266 7.9121 7.9246 9.3965 9.4075 13.1458 13.1614 13.6898 13.6990 13.8016 13.8087 19.3011 19.3197 k = 0.0302 0.0175 0.0494 ( 1466 PWs) bands (ev): -10.8581 -10.8570 -10.8568 -10.8553 -9.9019 -9.9016 -9.8011 -9.8006 -9.8002 -9.7975 -5.1565 -5.1564 7.4821 7.5076 7.8117 7.8492 7.9237 7.9336 9.2875 9.2954 13.1369 13.1461 13.6950 13.7005 13.7740 13.7781 19.3230 19.3256 k = 0.0242 0.0140 0.0395 ( 1466 PWs) bands (ev): -10.8579 -10.8571 -10.8568 -10.8557 -9.9018 -9.9017 -9.8007 -9.8006 -9.8000 -9.7981 -5.1668 -5.1668 7.6032 7.6248 7.8392 7.8683 7.9348 7.9419 9.1831 9.1882 13.1283 13.1331 13.7003 13.7031 13.7515 13.7535 19.2649 19.2662 k = 0.0181 0.0105 0.0296 ( 1470 PWs) bands (ev): -10.8576 -10.8571 -10.8568 -10.8560 -9.9018 -9.9017 -9.8005 -9.8004 -9.7999 -9.7986 -5.1749 -5.1749 7.7064 7.7219 7.8684 7.8875 7.9448 7.9492 9.0875 9.0902 13.1205 13.1225 13.7049 13.7060 13.7340 13.7348 19.2183 19.2188 k = 0.0121 0.0070 0.0198 ( 1470 PWs) bands (ev): -10.8574 -10.8570 -10.8568 -10.8564 -9.9018 -9.9018 -9.8004 -9.8002 -9.7998 -9.7991 -5.1807 -5.1807 7.7791 7.7858 7.9059 7.9136 7.9526 7.9550 9.0074 9.0084 13.1143 13.1149 13.7084 13.7088 13.7215 13.7217 19.1843 19.1844 k = 0.0060 0.0035 0.0099 ( 1471 PWs) bands (ev): -10.8572 -10.8570 -10.8569 -10.8567 -9.9018 -9.9018 -9.8002 -9.8000 -9.7998 -9.7995 -5.1841 -5.1841 7.8143 7.8151 7.9439 7.9447 7.9576 7.9586 8.9523 8.9524 13.1103 13.1104 13.7106 13.7107 13.7139 13.7139 19.1636 19.1636 k = 0.0000 0.0000 0.0000 ( 1471 PWs) bands (ev): -10.8569 -10.8569 -10.8569 -10.8569 -9.9018 -9.9018 -9.7999 -9.7999 -9.7999 -9.7999 -5.1853 -5.1853 7.8232 7.8232 7.9596 7.9596 7.9596 7.9596 8.9323 8.9323 13.1089 13.1089 13.7114 13.7114 13.7114 13.7114 19.1566 19.1566 k = 0.0000 0.0000 0.0000 ( 1471 PWs) bands (ev): -10.8569 -10.8569 -10.8569 -10.8569 -9.9018 -9.9018 -9.7999 -9.7999 -9.7999 -9.7999 -5.1853 -5.1853 7.8232 7.8232 7.9596 7.9596 7.9596 7.9596 8.9323 8.9323 13.1089 13.1089 13.7114 13.7114 13.7114 13.7114 19.1566 19.1566 k = 0.0100 0.0058 0.0041 ( 1471 PWs) bands (ev): -10.8572 -10.8569 -10.8569 -10.8566 -9.9018 -9.9018 -9.8002 -9.7999 -9.7999 -9.7995 -5.1841 -5.1841 7.8144 7.8144 7.9437 7.9437 7.9579 7.9589 8.9528 8.9528 13.1104 13.1104 13.7112 13.7112 13.7134 13.7134 19.1638 19.1638 k = 0.0200 0.0115 0.0082 ( 1471 PWs) bands (ev): -10.8574 -10.8569 -10.8569 -10.8563 -9.9018 -9.9018 -9.8004 -9.8000 -9.8000 -9.7990 -5.1805 -5.1805 7.7800 7.7800 7.9091 7.9091 7.9539 7.9559 9.0094 9.0094 13.1149 13.1149 13.7109 13.7109 13.7193 13.7195 19.1850 19.1850 k = 0.0300 0.0173 0.0122 ( 1468 PWs) bands (ev): -10.8576 -10.8569 -10.8569 -10.8560 -9.9018 -9.9018 -9.8005 -9.8002 -9.8002 -9.7985 -5.1746 -5.1746 7.7061 7.7061 7.8804 7.8804 7.9475 7.9506 9.0912 9.0912 13.1223 13.1223 13.7105 13.7105 13.7292 13.7295 19.2201 19.2201 k = 0.0400 0.0231 0.0163 ( 1468 PWs) bands (ev): -10.8578 -10.8569 -10.8569 -10.8557 -9.9018 -9.9018 -9.8006 -9.8004 -9.8004 -9.7979 -5.1664 -5.1664 7.5992 7.5992 7.8613 7.8613 7.9389 7.9429 9.1881 9.1881 13.1326 13.1326 13.7106 13.7106 13.7430 13.7433 19.2684 19.2684 k = 0.0500 0.0289 0.0204 ( 1468 PWs) bands (ev): -10.8580 -10.8569 -10.8569 -10.8553 -9.9017 -9.9017 -9.8008 -9.8008 -9.8006 -9.7973 -5.1557 -5.1557 7.4727 7.4727 7.8453 7.8453 7.9281 7.9330 9.2929 9.2929 13.1456 13.1456 13.7116 13.7116 13.7604 13.7609 19.3289 19.3289 k = 0.0600 0.0346 0.0245 ( 1468 PWs) bands (ev): -10.8581 -10.8569 -10.8569 -10.8550 -9.9017 -9.9017 -9.8012 -9.8012 -9.8005 -9.7965 -5.1428 -5.1428 7.3344 7.3344 7.8293 7.8293 7.9151 7.9210 9.4010 9.4010 13.1614 13.1614 13.7141 13.7141 13.7814 13.7820 19.3985 19.3985 k = 0.0700 0.0404 0.0286 ( 1477 PWs) bands (ev): -10.8582 -10.8569 -10.8569 -10.8546 -9.9016 -9.9016 -9.8016 -9.8016 -9.8003 -9.7958 -5.1275 -5.1275 7.1883 7.1883 7.8122 7.8122 7.9002 7.9070 9.5094 9.5094 13.1799 13.1799 13.7187 13.7187 13.8056 13.8064 19.3330 19.3511 k = 0.0800 0.0462 0.0327 ( 1489 PWs) bands (ev): -10.8583 -10.8570 -10.8570 -10.8542 -9.9016 -9.9016 -9.8021 -9.8021 -9.8000 -9.7949 -5.1100 -5.1100 7.0367 7.0367 7.7936 7.7936 7.8833 7.8909 9.6159 9.6159 13.2010 13.2010 13.7260 13.7260 13.8329 13.8339 19.2644 19.2843 k = 0.0900 0.0520 0.0367 ( 1495 PWs) bands (ev): -10.8584 -10.8570 -10.8570 -10.8538 -9.9015 -9.9015 -9.8027 -9.8027 -9.7997 -9.7940 -5.0901 -5.0901 6.8812 6.8812 7.7734 7.7734 7.8646 7.8730 9.7190 9.7190 13.2250 13.2250 13.7364 13.7364 13.8630 13.8643 19.1950 19.2165 k = 0.1000 0.0577 0.0408 ( 1501 PWs) bands (ev): -10.8584 -10.8570 -10.8570 -10.8533 -9.9015 -9.9015 -9.8034 -9.8034 -9.7993 -9.7930 -5.0681 -5.0681 6.7227 6.7227 7.7516 7.7516 7.8443 7.8535 9.8176 9.8176 13.2520 13.2520 13.7504 13.7504 13.8956 13.8971 19.1263 19.1491 k = 0.1100 0.0635 0.0449 ( 1501 PWs) bands (ev): -10.8584 -10.8570 -10.8570 -10.8529 -9.9014 -9.9014 -9.8041 -9.8041 -9.7988 -9.7920 -5.0438 -5.0438 6.5620 6.5620 7.7283 7.7283 7.8224 7.8323 9.9107 9.9107 13.2823 13.2823 13.7683 13.7683 13.9303 13.9321 19.0592 19.0833 k = 0.1200 0.0693 0.0490 ( 1504 PWs) bands (ev): -10.8584 -10.8571 -10.8571 -10.8525 -9.9013 -9.9013 -9.8048 -9.8048 -9.7983 -9.7910 -5.0173 -5.0173 6.3997 6.3997 7.7036 7.7036 7.7992 7.8097 9.9975 9.9975 13.3164 13.3164 13.7900 13.7900 13.9668 13.9689 18.9950 19.0201 k = 0.1300 0.0751 0.0531 ( 1516 PWs) bands (ev): -10.8583 -10.8571 -10.8571 -10.8521 -9.9012 -9.9012 -9.8056 -9.8056 -9.7976 -9.7899 -4.9886 -4.9886 6.2361 6.2361 7.6776 7.6776 7.7747 7.7858 10.0776 10.0776 13.3546 13.3546 13.8157 13.8157 14.0046 14.0071 18.9343 18.9602 k = 0.1400 0.0808 0.0572 ( 1516 PWs) bands (ev): -10.8583 -10.8571 -10.8571 -10.8516 -9.9011 -9.9011 -9.8065 -9.8065 -9.7969 -9.7887 -4.9579 -4.9579 6.0718 6.0718 7.6505 7.6505 7.7491 7.7608 10.1503 10.1503 13.3973 13.3973 13.8451 13.8451 14.0434 14.0463 18.8782 18.9046 k = 0.1500 0.0866 0.0612 ( 1513 PWs) bands (ev): -10.8582 -10.8572 -10.8572 -10.8512 -9.9010 -9.9010 -9.8074 -9.8074 -9.7962 -9.7875 -4.9251 -4.9251 5.9070 5.9070 7.6224 7.6224 7.7226 7.7348 10.2154 10.2154 13.4449 13.4449 13.8781 13.8781 14.0828 14.0860 18.8271 18.8539 k = 0.1600 0.0924 0.0653 ( 1513 PWs) bands (ev): -10.8580 -10.8573 -10.8573 -10.8508 -9.9009 -9.9009 -9.8083 -9.8083 -9.7953 -9.7863 -4.8903 -4.8903 5.7420 5.7420 7.5935 7.5935 7.6953 7.7079 10.2727 10.2727 13.4973 13.4973 13.9145 13.9145 14.1223 14.1259 18.7819 18.8087 k = 0.1700 0.0981 0.0694 ( 1525 PWs) bands (ev): -10.8579 -10.8573 -10.8573 -10.8504 -9.9007 -9.9007 -9.8093 -9.8093 -9.7944 -9.7851 -4.8535 -4.8535 5.5771 5.5771 7.5639 7.5639 7.6673 7.6802 10.3222 10.3222 13.5545 13.5545 13.9543 13.9543 14.1614 14.1654 18.7430 18.7696 k = 0.1800 0.1039 0.0735 ( 1525 PWs) bands (ev): -10.8577 -10.8574 -10.8574 -10.8500 -9.9006 -9.9006 -9.8103 -9.8103 -9.7935 -9.7839 -4.8149 -4.8149 5.4125 5.4125 7.5338 7.5338 7.6387 7.6520 10.3641 10.3641 13.6158 13.6158 13.9976 13.9976 14.1998 14.2042 18.7111 18.7370 k = 0.1900 0.1097 0.0776 ( 1528 PWs) bands (ev): -10.8575 -10.8575 -10.8575 -10.8496 -9.9004 -9.9004 -9.8113 -9.8113 -9.7925 -9.7826 -4.7744 -4.7744 5.2486 5.2486 7.5033 7.5033 7.6099 7.6234 10.3987 10.3987 13.6801 13.6801 14.0448 14.0448 14.2370 14.2418 18.6866 18.7115 k = 0.2000 0.1155 0.0816 ( 1528 PWs) bands (ev): -10.8576 -10.8576 -10.8573 -10.8492 -9.9003 -9.9003 -9.8123 -9.8123 -9.7914 -9.7813 -4.7322 -4.7322 5.0855 5.0855 7.4725 7.4725 7.5807 7.5944 10.4264 10.4264 13.7459 13.7459 14.0970 14.0970 14.2727 14.2778 18.6700 18.6934 k = 0.2100 0.1212 0.0857 ( 1528 PWs) bands (ev): -10.8577 -10.8577 -10.8571 -10.8488 -9.9001 -9.9001 -9.8134 -9.8134 -9.7903 -9.7800 -4.6883 -4.6883 4.9235 4.9235 7.4416 7.4416 7.5514 7.5653 10.4476 10.4476 13.8111 13.8111 14.1552 14.1552 14.3064 14.3118 18.6616 18.6831 k = 0.2200 0.1270 0.0898 ( 1525 PWs) bands (ev): -10.8579 -10.8579 -10.8568 -10.8484 -9.8999 -9.8999 -9.8145 -9.8145 -9.7892 -9.7787 -4.6429 -4.6429 4.7628 4.7628 7.4107 7.4107 7.5221 7.5361 10.4631 10.4631 13.8732 13.8732 14.2212 14.2212 14.3378 14.3435 18.6617 18.6809 k = 0.2300 0.1328 0.0939 ( 1525 PWs) bands (ev): -10.8580 -10.8580 -10.8566 -10.8481 -9.8997 -9.8997 -9.8156 -9.8156 -9.7880 -9.7774 -4.5960 -4.5960 4.6036 4.6036 7.3799 7.3799 7.4930 7.5069 10.4733 10.4733 13.9301 13.9301 14.2960 14.2960 14.3667 14.3726 18.6707 18.6870 k = 0.2400 0.1386 0.0980 ( 1531 PWs) bands (ev): -10.8582 -10.8582 -10.8563 -10.8478 -9.8995 -9.8995 -9.8166 -9.8166 -9.7868 -9.7762 -4.5477 -4.5477 4.4463 4.4463 7.3494 7.3494 7.4640 7.4779 10.4789 10.4789 13.9804 13.9804 14.3802 14.3802 14.3928 14.3988 18.6887 18.7017 k = 0.2500 0.1443 0.1021 ( 1531 PWs) bands (ev): -10.8583 -10.8583 -10.8560 -10.8474 -9.8993 -9.8993 -9.8177 -9.8177 -9.7855 -9.7749 -4.4982 -4.4982 4.2909 4.2909 7.3192 7.3192 7.4354 7.4492 10.4804 10.4804 14.0239 14.0239 14.4160 14.4221 14.4730 14.4730 18.7158 18.7251 k = 0.2600 0.1501 0.1061 ( 1525 PWs) bands (ev): -10.8585 -10.8585 -10.8557 -10.8471 -9.8991 -9.8991 -9.8188 -9.8188 -9.7842 -9.7736 -4.4476 -4.4476 4.1378 4.1378 7.2895 7.2895 7.4072 7.4209 10.4786 10.4786 14.0611 14.0611 14.4362 14.4422 14.5731 14.5731 18.7521 18.7572 k = 0.2700 0.1559 0.1102 ( 1519 PWs) bands (ev): -10.8587 -10.8587 -10.8553 -10.8469 -9.8989 -9.8989 -9.8199 -9.8199 -9.7829 -9.7724 -4.3960 -4.3960 3.9872 3.9872 7.2603 7.2603 7.3796 7.3931 10.4738 10.4738 14.0925 14.0925 14.4533 14.4592 14.6791 14.6791 18.7974 18.7980 k = 0.2800 0.1617 0.1143 ( 1525 PWs) bands (ev): -10.8588 -10.8588 -10.8550 -10.8466 -9.8986 -9.8986 -9.8210 -9.8210 -9.7816 -9.7712 -4.3436 -4.3436 3.8393 3.8393 7.2318 7.2318 7.3525 7.3658 10.4667 10.4667 14.1189 14.1189 14.4674 14.4732 14.7894 14.7894 18.8474 18.8474 k = 0.2900 0.1674 0.1184 ( 1525 PWs) bands (ev): -10.8590 -10.8590 -10.8547 -10.8464 -9.8984 -9.8984 -9.8220 -9.8220 -9.7803 -9.7700 -4.2906 -4.2906 3.6945 3.6945 7.2040 7.2040 7.3262 7.3392 10.4576 10.4576 14.1409 14.1409 14.4785 14.4842 14.9028 14.9028 18.9053 18.9053 k = 0.3000 0.1732 0.1225 ( 1525 PWs) bands (ev): -10.8592 -10.8592 -10.8543 -10.8462 -9.8982 -9.8982 -9.8230 -9.8230 -9.7790 -9.7689 -4.2371 -4.2371 3.5529 3.5529 7.1770 7.1770 7.3006 7.3133 10.4470 10.4470 14.1590 14.1590 14.4869 14.4923 15.0179 15.0179 18.9714 18.9714 k = 0.3100 0.1790 0.1266 ( 1519 PWs) bands (ev): -10.8594 -10.8594 -10.8539 -10.8460 -9.8979 -9.8979 -9.8240 -9.8240 -9.7777 -9.7678 -4.1834 -4.1834 3.4149 3.4149 7.1508 7.1508 7.2759 7.2882 10.4353 10.4353 14.1737 14.1737 14.4927 14.4979 15.1338 15.1338 19.0454 19.0454 k = 0.3200 0.1848 0.1306 ( 1522 PWs) bands (ev): -10.8596 -10.8596 -10.8536 -10.8459 -9.8977 -9.8977 -9.8250 -9.8250 -9.7764 -9.7668 -4.1296 -4.1296 3.2807 3.2807 7.1257 7.1257 7.2520 7.2640 10.4228 10.4228 14.1853 14.1853 14.4962 14.5010 15.2494 15.2494 19.1269 19.1269 k = 0.3300 0.1905 0.1347 ( 1528 PWs) bands (ev): -10.8598 -10.8598 -10.8532 -10.8457 -9.8974 -9.8974 -9.8259 -9.8259 -9.7751 -9.7658 -4.0760 -4.0760 3.1507 3.1507 7.1015 7.1015 7.2292 7.2407 10.4097 10.4097 14.1942 14.1942 14.4975 14.5021 15.3637 15.3637 19.2150 19.2150 k = 0.3400 0.1963 0.1388 ( 1528 PWs) bands (ev): -10.8600 -10.8600 -10.8528 -10.8456 -9.8972 -9.8972 -9.8268 -9.8268 -9.7738 -9.7648 -4.0228 -4.0228 3.0252 3.0252 7.0785 7.0785 7.2074 7.2184 10.3964 10.3964 14.2007 14.2007 14.4970 14.5012 15.4759 15.4759 19.2969 19.2969 k = 0.3500 0.2021 0.1429 ( 1516 PWs) bands (ev): -10.8602 -10.8602 -10.8524 -10.8455 -9.8970 -9.8970 -9.8277 -9.8277 -9.7725 -9.7640 -3.9704 -3.9704 2.9045 2.9045 7.0565 7.0565 7.1867 7.1972 10.3830 10.3830 14.2051 14.2051 14.4950 14.4989 15.5851 15.5851 19.3015 19.3015 k = 0.3600 0.2078 0.1470 ( 1516 PWs) bands (ev): -10.8604 -10.8604 -10.8520 -10.8455 -9.8967 -9.8967 -9.8285 -9.8285 -9.7713 -9.7631 -3.9189 -3.9189 2.7889 2.7889 7.0358 7.0358 7.1671 7.1771 10.3697 10.3697 14.2078 14.2078 14.4916 14.4952 15.6903 15.6903 19.3032 19.3032 k = 0.3700 0.2136 0.1511 ( 1516 PWs) bands (ev): -10.8606 -10.8606 -10.8517 -10.8455 -9.8965 -9.8965 -9.8293 -9.8293 -9.7701 -9.7624 -3.8688 -3.8688 2.6789 2.6789 7.0163 7.0163 7.1488 7.1581 10.3568 10.3568 14.2090 14.2090 14.4873 14.4905 15.7907 15.7907 19.3116 19.3116 k = 0.3800 0.2194 0.1551 ( 1516 PWs) bands (ev): -10.8608 -10.8608 -10.8513 -10.8455 -9.8963 -9.8963 -9.8300 -9.8300 -9.7689 -9.7617 -3.8204 -3.8204 2.5747 2.5747 6.9981 6.9981 7.1316 7.1404 10.3444 10.3444 14.2090 14.2090 14.4822 14.4851 15.8857 15.8857 19.3271 19.3271 k = 0.3900 0.2252 0.1592 ( 1516 PWs) bands (ev): -10.8610 -10.8610 -10.8509 -10.8455 -9.8961 -9.8961 -9.8307 -9.8307 -9.7678 -9.7611 -3.7739 -3.7739 2.4769 2.4769 6.9811 6.9811 7.1157 7.1239 10.3325 10.3325 14.2081 14.2081 14.4766 14.4792 15.9744 15.9744 19.3495 19.3495 k = 0.4000 0.2309 0.1633 ( 1513 PWs) bands (ev): -10.8611 -10.8611 -10.8505 -10.8455 -9.8959 -9.8959 -9.8314 -9.8314 -9.7667 -9.7605 -3.7298 -3.7298 2.3858 2.3858 6.9656 6.9656 7.1012 7.1087 10.3214 10.3214 14.2065 14.2065 14.4707 14.4730 16.0564 16.0564 19.3784 19.3784 k = 0.4100 0.2367 0.1674 ( 1513 PWs) bands (ev): -10.8613 -10.8613 -10.8501 -10.8456 -9.8957 -9.8957 -9.8319 -9.8319 -9.7657 -9.7601 -3.6884 -3.6884 2.3017 2.3017 6.9514 6.9514 7.0879 7.0947 10.3111 10.3111 14.2043 14.2043 14.4648 14.4668 16.1311 16.1311 19.4131 19.4131 k = 0.4200 0.2425 0.1715 ( 1519 PWs) bands (ev): -10.8614 -10.8614 -10.8498 -10.8457 -9.8956 -9.8956 -9.8324 -9.8324 -9.7648 -9.7597 -3.6501 -3.6501 2.2251 2.2251 6.9387 6.9387 7.0761 7.0822 10.3016 10.3016 14.2019 14.2019 14.4590 14.4607 16.1981 16.1981 19.4526 19.4526 k = 0.4300 0.2483 0.1755 ( 1525 PWs) bands (ev): -10.8616 -10.8616 -10.8494 -10.8458 -9.8954 -9.8954 -9.8329 -9.8329 -9.7639 -9.7594 -3.6152 -3.6152 2.1564 2.1564 6.9273 6.9273 7.0656 7.0709 10.2931 10.2931 14.1993 14.1993 14.4534 14.4549 16.2572 16.2572 19.4955 19.4955 k = 0.4400 0.2540 0.1796 ( 1519 PWs) bands (ev): -10.8617 -10.8617 -10.8491 -10.8459 -9.8953 -9.8953 -9.8333 -9.8333 -9.7631 -9.7592 -3.5842 -3.5842 2.0959 2.0959 6.9175 6.9175 7.0565 7.0611 10.2857 10.2857 14.1968 14.1968 14.4484 14.4496 16.3082 16.3082 19.5400 19.5400 k = 0.4500 0.2598 0.1837 ( 1520 PWs) bands (ev): -10.8618 -10.8618 -10.8487 -10.8461 -9.8952 -9.8952 -9.8337 -9.8337 -9.7623 -9.7590 -3.5572 -3.5572 2.0441 2.0441 6.9091 6.9091 7.0489 7.0527 10.2793 10.2793 14.1944 14.1944 14.4439 14.4448 16.3513 16.3513 19.5840 19.5840 k = 0.4600 0.2656 0.1878 ( 1520 PWs) bands (ev): -10.8619 -10.8619 -10.8484 -10.8463 -9.8951 -9.8951 -9.8339 -9.8339 -9.7616 -9.7590 -3.5347 -3.5347 2.0012 2.0012 6.9022 6.9022 7.0426 7.0458 10.2740 10.2740 14.1923 14.1923 14.4400 14.4408 16.3862 16.3862 19.6251 19.6251 k = 0.4700 0.2714 0.1919 ( 1520 PWs) bands (ev): -10.8619 -10.8619 -10.8481 -10.8465 -9.8950 -9.8950 -9.8342 -9.8342 -9.7610 -9.7590 -3.5169 -3.5169 1.9675 1.9675 6.8969 6.8969 7.0379 7.0402 10.2699 10.2699 14.1906 14.1906 14.4370 14.4376 16.4133 16.4133 19.6607 19.6607 k = 0.4800 0.2771 0.1960 ( 1520 PWs) bands (ev): -10.8620 -10.8620 -10.8478 -10.8467 -9.8950 -9.8950 -9.8343 -9.8343 -9.7605 -9.7591 -3.5040 -3.5040 1.9433 1.9433 6.8931 6.8931 7.0346 7.0362 10.2669 10.2669 14.1893 14.1893 14.4348 14.4352 16.4325 16.4325 19.6883 19.6883 k = 0.4900 0.2829 0.2000 ( 1520 PWs) bands (ev): -10.8620 -10.8620 -10.8475 -10.8470 -9.8949 -9.8949 -9.8344 -9.8344 -9.7600 -9.7593 -3.4962 -3.4962 1.9287 1.9287 6.8908 6.8908 7.0328 7.0336 10.2651 10.2651 14.1885 14.1885 14.4335 14.4337 16.4440 16.4440 19.7059 19.7059 k = 0.5000 0.2887 0.2041 ( 1502 PWs) bands (ev): -10.8620 -10.8620 -10.8472 -10.8472 -9.8949 -9.8949 -9.8344 -9.8344 -9.7596 -9.7596 -3.4936 -3.4936 1.9238 1.9238 6.8900 6.8900 7.0325 7.0325 10.2645 10.2645 14.1883 14.1883 14.4332 14.4332 16.4478 16.4478 19.7119 19.7119 k = 0.5000 0.2887 0.2041 ( 1502 PWs) bands (ev): -10.8620 -10.8620 -10.8472 -10.8472 -9.8949 -9.8949 -9.8344 -9.8344 -9.7596 -9.7596 -3.4936 -3.4936 1.9238 1.9238 6.8900 6.8900 7.0325 7.0325 10.2645 10.2645 14.1883 14.1883 14.4332 14.4332 16.4478 16.4478 19.7119 19.7119 k = 0.5035 0.2787 0.2098 ( 1518 PWs) bands (ev): -10.8637 -10.8606 -10.8471 -10.8471 -9.8979 -9.8920 -9.8353 -9.8335 -9.7597 -9.7597 -3.4929 -3.4928 1.9240 1.9249 6.8807 6.8895 7.0275 7.0277 10.2697 10.2762 14.1836 14.1917 14.4321 14.4323 16.4435 16.4563 19.7122 19.7143 k = 0.5069 0.2686 0.2155 ( 1518 PWs) bands (ev): -10.8655 -10.8595 -10.8468 -10.8466 -9.9009 -9.8890 -9.8362 -9.8325 -9.7597 -9.7597 -3.4905 -3.4902 1.9255 1.9273 6.8604 6.8791 7.0132 7.0149 10.2917 10.3045 14.1767 14.1936 14.4297 14.4309 16.4434 16.4686 19.7151 19.7196 k = 0.5104 0.2586 0.2211 ( 1518 PWs) bands (ev): -10.8674 -10.8587 -10.8463 -10.8458 -9.9039 -9.8862 -9.8369 -9.8315 -9.7598 -9.7598 -3.4865 -3.4861 1.9283 1.9310 6.8273 6.8570 6.9922 6.9969 10.3296 10.3482 14.1654 14.1917 14.4286 14.4321 16.4468 16.4838 19.7205 19.7280 k = 0.5139 0.2486 0.2268 ( 1518 PWs) bands (ev): -10.8694 -10.8583 -10.8458 -10.8446 -9.9068 -9.8833 -9.8376 -9.8304 -9.7599 -9.7599 -3.4810 -3.4804 1.9323 1.9359 6.7799 6.8203 6.9684 6.9766 10.3822 10.4059 14.1473 14.1829 14.4328 14.4393 16.4527 16.5005 19.7281 19.7395 k = 0.5174 0.2386 0.2325 ( 1518 PWs) bands (ev): -10.8714 -10.8581 -10.8451 -10.8431 -9.9098 -9.8805 -9.8383 -9.8293 -9.7601 -9.7600 -3.4738 -3.4731 1.9375 1.9420 6.7184 6.7681 6.9446 6.9554 10.4478 10.4758 14.1210 14.1645 14.4460 14.4552 16.4599 16.5172 19.7375 19.7540 k = 0.5208 0.2285 0.2381 ( 1521 PWs) bands (ev): -10.8734 -10.8581 -10.8444 -10.8414 -9.9128 -9.8777 -9.8388 -9.8281 -9.7603 -9.7602 -3.4651 -3.4642 1.9439 1.9493 6.6444 6.7014 6.9214 6.9335 10.5245 10.5560 14.0867 14.1363 14.4699 14.4807 16.4667 16.5325 19.7474 19.7711 k = 0.5243 0.2185 0.2438 ( 1521 PWs) bands (ev): -10.8754 -10.8583 -10.8437 -10.8396 -9.9157 -9.8751 -9.8393 -9.8269 -9.7606 -9.7604 -3.4548 -3.4537 1.9515 1.9577 6.5601 6.6230 6.8980 6.9107 10.6103 10.6444 14.0463 14.1000 14.5043 14.5157 16.4718 16.5449 19.7561 19.7895 k = 0.5278 0.2085 0.2495 ( 1519 PWs) bands (ev): -10.8774 -10.8585 -10.8429 -10.8377 -9.9186 -9.8725 -9.8397 -9.8257 -9.7609 -9.7606 -3.4431 -3.4418 1.9601 1.9671 6.4676 6.5352 6.8737 6.8866 10.7031 10.7391 14.0018 14.0581 14.5480 14.5595 16.4739 16.5531 19.7606 19.8070 k = 0.5312 0.1985 0.2552 ( 1517 PWs) bands (ev): -10.8794 -10.8588 -10.8421 -10.8357 -9.9214 -9.8700 -9.8400 -9.8244 -9.7612 -9.7608 -3.4299 -3.4284 1.9696 1.9775 6.3686 6.4403 6.8482 6.8610 10.8011 10.8380 13.9554 14.0132 14.5997 14.6111 16.4719 16.5563 19.7572 19.8205 k = 0.5347 0.1884 0.2608 ( 1519 PWs) bands (ev): -10.8813 -10.8592 -10.8413 -10.8338 -9.9242 -9.8676 -9.8402 -9.8231 -9.7616 -9.7611 -3.4153 -3.4135 1.9801 1.9887 6.2648 6.3400 6.8211 6.8338 10.9021 10.9394 13.9091 13.9676 14.6587 14.6698 16.4652 16.5538 19.7417 19.8257 k = 0.5382 0.1784 0.2665 ( 1520 PWs) bands (ev): -10.8832 -10.8595 -10.8404 -10.8318 -9.9270 -9.8653 -9.8402 -9.8218 -9.7620 -9.7613 -3.3994 -3.3973 1.9914 2.0007 6.1576 6.2358 6.7925 6.8051 11.0043 11.0411 13.8647 13.9233 14.7242 14.7352 16.4533 16.5454 19.7108 19.8182 k = 0.5417 0.1684 0.2722 ( 1522 PWs) bands (ev): -10.8851 -10.8599 -10.8396 -10.8299 -9.9297 -9.8633 -9.8401 -9.8205 -9.7624 -9.7615 -3.3822 -3.3798 2.0033 2.0134 6.0481 6.1291 6.7624 6.7749 11.1056 11.1414 13.8240 13.8821 14.7957 14.8067 16.4361 16.5311 19.6632 19.7943 k = 0.5451 0.1584 0.2778 ( 1524 PWs) bands (ev): -10.8869 -10.8603 -10.8387 -10.8280 -9.9323 -9.8614 -9.8398 -9.8191 -9.7629 -9.7618 -3.3637 -3.3610 2.0158 2.0265 5.9373 6.0208 6.7310 6.7434 11.2043 11.2383 13.7886 13.8457 14.8726 14.8838 16.4140 16.5114 19.5997 19.7525 k = 0.5486 0.1483 0.2835 ( 1526 PWs) bands (ev): -10.8886 -10.8606 -10.8379 -10.8262 -9.9348 -9.8598 -9.8393 -9.8178 -9.7634 -9.7620 -3.3441 -3.3410 2.0286 2.0400 5.8263 5.9121 6.6983 6.7106 11.2983 11.3298 13.7600 13.8156 14.9544 14.9661 16.3875 16.4871 19.5225 19.6937 k = 0.5521 0.1383 0.2892 ( 1526 PWs) bands (ev): -10.8903 -10.8610 -10.8370 -10.8244 -9.9372 -9.8585 -9.8385 -9.8165 -9.7639 -9.7622 -3.3234 -3.3200 2.0417 2.0536 5.7158 5.8037 6.6645 6.6768 11.3858 11.4143 13.7394 13.7933 15.0408 15.0533 16.3574 16.4589 19.4348 19.6205 k = 0.5556 0.1283 0.2948 ( 1527 PWs) bands (ev): -10.8919 -10.8614 -10.8361 -10.8227 -9.9396 -9.8574 -9.8374 -9.8151 -9.7645 -9.7625 -3.3018 -3.2979 2.0548 2.0673 5.6067 5.6966 6.6299 6.6421 11.4650 11.4898 13.7279 13.7799 15.1313 15.1450 16.3249 16.4280 19.3394 19.5360 k = 0.5590 0.1183 0.3005 ( 1533 PWs) bands (ev): -10.8935 -10.8617 -10.8353 -10.8211 -9.9419 -9.8567 -9.8362 -9.8138 -9.7651 -9.7627 -3.2792 -3.2750 2.0677 2.0807 5.4997 5.5913 6.5945 6.6067 11.5344 11.5551 13.7262 13.7760 15.2254 15.2407 16.2912 16.3959 19.2388 19.4433 k = 0.5625 0.1083 0.3062 ( 1525 PWs) bands (ev): -10.8950 -10.8620 -10.8344 -10.8195 -9.9440 -9.8562 -9.8347 -9.8126 -9.7657 -9.7628 -3.2559 -3.2512 2.0803 2.0937 5.3954 5.4888 6.5586 6.5708 11.5927 11.6091 13.7342 13.7820 15.3225 15.3401 16.2581 16.3640 19.1349 19.3449 k = 0.5660 0.0982 0.3119 ( 1529 PWs) bands (ev): -10.8965 -10.8624 -10.8336 -10.8180 -9.9460 -9.8559 -9.8330 -9.8113 -9.7663 -9.7630 -3.2319 -3.2267 2.0921 2.1060 5.2946 5.3896 6.5223 6.5345 11.6393 11.6513 13.7512 13.7971 15.4220 15.4427 16.2274 16.3340 19.0292 19.2429 k = 0.5694 0.0882 0.3175 ( 1527 PWs) bands (ev): -10.8978 -10.8627 -10.8328 -10.8167 -9.9479 -9.8558 -9.8312 -9.8101 -9.7669 -9.7631 -3.2074 -3.2017 2.1032 2.1174 5.1978 5.2944 6.4858 6.4979 11.6741 11.6817 13.7757 13.8201 15.5231 15.5482 16.2017 16.3080 18.9230 19.1391 k = 0.5729 0.0782 0.3232 ( 1531 PWs) bands (ev): -10.8991 -10.8630 -10.8320 -10.8154 -9.9497 -9.8559 -9.8292 -9.8089 -9.7676 -9.7632 -3.1825 -3.1763 2.1130 2.1276 5.1058 5.2038 6.4493 6.4614 11.6975 11.7010 13.8055 13.8488 15.6246 15.6560 16.1838 16.2881 18.8172 19.0345 k = 0.5764 0.0682 0.3289 ( 1531 PWs) bands (ev): -10.9004 -10.8633 -10.8312 -10.8142 -9.9514 -9.8561 -9.8273 -9.8078 -9.7682 -9.7632 -3.1573 -3.1507 2.1215 2.1363 5.0191 5.1184 6.4129 6.4250 11.7102 11.7103 13.8376 13.8801 15.7251 15.7655 16.1771 16.2765 18.7123 18.9302 k = 0.5799 0.0581 0.3345 ( 1531 PWs) bands (ev): -10.9015 -10.8636 -10.8305 -10.8130 -9.9529 -9.8564 -9.8252 -9.8067 -9.7689 -9.7633 -3.1321 -3.1249 2.1283 2.1434 4.9382 5.0387 6.3768 6.3888 11.7107 11.7139 13.8690 13.9107 15.8223 15.8762 16.1859 16.2758 18.6091 18.8270 k = 0.5833 0.0481 0.3402 ( 1527 PWs) bands (ev): -10.9026 -10.8639 -10.8298 -10.8120 -9.9543 -9.8568 -9.8232 -9.8057 -9.7695 -9.7632 -3.1069 -3.0993 2.1333 2.1487 4.8638 4.9655 6.3411 6.3531 11.7038 11.7096 13.8962 13.9370 15.9139 15.9872 16.2146 16.2882 18.5080 18.7254 k = 0.5868 0.0381 0.3459 ( 1527 PWs) bands (ev): -10.9036 -10.8642 -10.8291 -10.8111 -9.9556 -9.8573 -9.8211 -9.8048 -9.7702 -9.7632 -3.0820 -3.0739 2.1362 2.1518 4.7962 4.8990 6.3060 6.3179 11.6910 11.6989 13.9163 13.9558 15.9985 16.0974 16.2659 16.3161 18.4092 18.6261 k = 0.5903 0.0281 0.3515 ( 1531 PWs) bands (ev): -10.9045 -10.8645 -10.8284 -10.8103 -9.9567 -9.8578 -9.8191 -9.8039 -9.7709 -9.7631 -3.0576 -3.0489 2.1370 2.1528 4.7360 4.8397 6.2716 6.2834 11.6736 11.6830 13.9270 13.9644 16.0791 16.2053 16.3381 16.3616 18.3132 18.5294 k = 0.5938 0.0180 0.3572 ( 1532 PWs) bands (ev): -10.9054 -10.8648 -10.8278 -10.8096 -9.9577 -9.8584 -9.8171 -9.8031 -9.7715 -9.7629 -3.0338 -3.0247 2.1355 2.1515 4.6835 4.7880 6.2380 6.2498 11.6527 11.6632 13.9265 13.9611 16.1614 16.3092 16.4251 16.4262 18.2202 18.4360 k = 0.5972 0.0080 0.3629 ( 1528 PWs) bands (ev): -10.9062 -10.8651 -10.8272 -10.8090 -9.9585 -9.8591 -9.8151 -9.8024 -9.7721 -9.7627 -3.0109 -3.0014 2.1318 2.1480 4.6389 4.7441 6.2054 6.2171 11.6293 11.6405 13.9143 13.9452 16.2508 16.4091 16.5087 16.5206 18.1307 18.3462 k = 0.6007-0.0020 0.3686 ( 1530 PWs) bands (ev): -10.9068 -10.8654 -10.8266 -10.8085 -9.9592 -9.8598 -9.8131 -9.8017 -9.7728 -9.7625 -2.9892 -2.9792 2.1260 2.1425 4.6024 4.7082 6.1738 6.1855 11.6043 11.6158 13.8902 13.9168 16.3499 16.5082 16.6039 16.6198 18.0451 18.2609 k = 0.6042-0.0120 0.3742 ( 1531 PWs) bands (ev): -10.9075 -10.8657 -10.8261 -10.8080 -9.9597 -9.8606 -9.8112 -9.8011 -9.7734 -9.7623 -2.9687 -2.9584 2.1184 2.1350 4.5741 4.6803 6.1434 6.1551 11.5784 11.5900 13.8551 13.8770 16.4587 16.6101 16.7052 16.7198 17.9640 18.1810 k = 0.6076-0.0221 0.3799 ( 1531 PWs) bands (ev): -10.9080 -10.8660 -10.8256 -10.8077 -9.9601 -9.8615 -9.8093 -9.8006 -9.7740 -9.7620 -2.9499 -2.9392 2.1093 2.1261 4.5539 4.6604 6.1143 6.1259 11.5522 11.5636 13.8101 13.8269 16.5754 16.7146 16.8089 16.8187 17.8886 18.1079 k = 0.6111-0.0321 0.3856 ( 1534 PWs) bands (ev): -10.9084 -10.8663 -10.8251 -10.8074 -9.9604 -9.8623 -9.8075 -9.8001 -9.7746 -9.7618 -2.9328 -2.9219 2.0991 2.1160 4.5415 4.6483 6.0866 6.0981 11.5262 11.5371 13.7563 13.7682 16.6969 16.8187 16.9131 16.9150 17.8205 18.0439 k = 0.6146-0.0421 0.3912 ( 1535 PWs) bands (ev): -10.9088 -10.8666 -10.8247 -10.8073 -9.9605 -9.8633 -9.8058 -9.7997 -9.7751 -9.7615 -2.9179 -2.9067 2.0884 2.1053 4.5369 4.6438 6.0603 6.0717 11.5007 11.5110 13.6953 13.7024 16.8183 16.9179 17.0074 17.0160 17.7634 17.9930 k = 0.6181-0.0521 0.3969 ( 1531 PWs) bands (ev): -10.9091 -10.8669 -10.8243 -10.8072 -9.9605 -9.8643 -9.8041 -9.7994 -9.7757 -9.7612 -2.9052 -2.8940 2.0777 2.0946 4.5395 4.6465 6.0355 6.0469 11.4761 11.4857 13.6282 13.6307 16.9329 17.0083 17.0936 17.1125 17.7235 17.9613 k = 0.6215-0.0621 0.4026 ( 1528 PWs) bands (ev): -10.9093 -10.8673 -10.8239 -10.8072 -9.9603 -9.8653 -9.8025 -9.7991 -9.7762 -9.7610 -2.8951 -2.8838 2.0676 2.0845 4.5491 4.6561 6.0124 6.0237 11.4528 11.4613 13.5546 13.5563 17.0317 17.0875 17.1688 17.1939 17.7122 17.9579 k = 0.6250-0.0722 0.4082 ( 1528 PWs) bands (ev): -10.9094 -10.8676 -10.8236 -10.8073 -9.9601 -9.8664 -9.8010 -9.7988 -9.7766 -9.7607 -2.8878 -2.8765 2.0589 2.0755 4.5651 4.6721 5.9910 6.0023 11.4307 11.4382 13.4750 13.4806 17.1033 17.1520 17.2278 17.2525 17.7439 17.9916 k = 0.6250-0.0722 0.4082 ( 1528 PWs) bands (ev): -10.9094 -10.8676 -10.8236 -10.8073 -9.9601 -9.8664 -9.8010 -9.7988 -9.7766 -9.7607 -2.8878 -2.8765 2.0589 2.0755 4.5651 4.6721 5.9910 6.0023 11.4307 11.4382 13.4750 13.4806 17.1033 17.1520 17.2278 17.2525 17.7439 17.9916 k = 0.6190-0.0687 0.4180 ( 1528 PWs) bands (ev): -10.9094 -10.8675 -10.8236 -10.8073 -9.9602 -9.8662 -9.8012 -9.7986 -9.7766 -9.7607 -2.8875 -2.8761 2.0590 2.0756 4.5660 4.6730 5.9845 5.9995 11.4374 11.4476 13.4752 13.4809 17.0517 17.1124 17.2430 17.2644 17.7670 18.0167 k = 0.6131-0.0653 0.4277 ( 1531 PWs) bands (ev): -10.9096 -10.8674 -10.8236 -10.8073 -9.9604 -9.8658 -9.8018 -9.7983 -9.7766 -9.7608 -2.8864 -2.8750 2.0595 2.0761 4.5688 4.6758 5.9669 5.9895 11.4588 11.4743 13.4759 13.4816 16.9426 17.0349 17.2340 17.2785 17.8338 18.0844 k = 0.6071-0.0619 0.4374 ( 1530 PWs) bands (ev): -10.9098 -10.8671 -10.8235 -10.8073 -9.9608 -9.8651 -9.8025 -9.7979 -9.7765 -9.7609 -2.8847 -2.8732 2.0601 2.0768 4.5733 4.6804 5.9401 5.9711 11.4956 11.5168 13.4769 13.4829 16.8149 16.9343 17.2055 17.2637 17.9332 18.1800 k = 0.6012-0.0584 0.4471 ( 1530 PWs) bands (ev): -10.9101 -10.8668 -10.8234 -10.8074 -9.9614 -9.8642 -9.8033 -9.7974 -9.7764 -9.7611 -2.8823 -2.8707 2.0611 2.0778 4.5797 4.6868 5.9050 5.9446 11.5474 11.5742 13.4783 13.4847 16.6794 16.8194 17.1607 17.2255 18.0516 18.2920 k = 0.5952-0.0550 0.4568 ( 1538 PWs) bands (ev): -10.9104 -10.8663 -10.8233 -10.8074 -9.9621 -9.8630 -9.8043 -9.7970 -9.7762 -9.7613 -2.8793 -2.8675 2.0622 2.0790 4.5879 4.6951 5.8626 5.9104 11.6137 11.6454 13.4798 13.4868 16.5403 16.6961 17.1027 17.1710 18.1798 18.4130 k = 0.5893-0.0515 0.4666 ( 1537 PWs) bands (ev): -10.9108 -10.8658 -10.8231 -10.8075 -9.9629 -9.8617 -9.8053 -9.7967 -9.7761 -9.7616 -2.8756 -2.8638 2.0635 2.0804 4.5979 4.7052 5.8139 5.8694 11.6936 11.7295 13.4816 13.4893 16.3997 16.5683 17.0340 17.1046 18.3125 18.5385 k = 0.5833-0.0481 0.4763 ( 1538 PWs) bands (ev): -10.9113 -10.8653 -10.8230 -10.8076 -9.9638 -9.8601 -9.8064 -9.7963 -9.7759 -9.7619 -2.8715 -2.8594 2.0649 2.0819 4.6096 4.7170 5.7598 5.8225 11.7859 11.8253 13.4833 13.4920 16.2589 16.4384 16.9571 17.0295 18.4469 18.6659 k = 0.5774-0.0447 0.4860 ( 1535 PWs) bands (ev): -10.9117 -10.8647 -10.8228 -10.8076 -9.9647 -9.8584 -9.8076 -9.7960 -9.7756 -9.7622 -2.8669 -2.8546 2.0665 2.0836 4.6230 4.7306 5.7015 5.7707 11.8896 11.9313 13.4849 13.4948 16.1189 16.3082 16.8742 16.9480 18.5811 18.7932 k = 0.5714-0.0412 0.4957 ( 1537 PWs) bands (ev): -10.9122 -10.8641 -10.8226 -10.8077 -9.9657 -9.8565 -9.8089 -9.7958 -9.7753 -9.7626 -2.8618 -2.8494 2.0680 2.0853 4.6382 4.7459 5.6399 5.7150 12.0033 12.0464 13.4861 13.4975 15.9805 16.1791 16.7870 16.8621 18.7138 18.9190 k = 0.5655-0.0378 0.5055 ( 1537 PWs) bands (ev): -10.9127 -10.8635 -10.8223 -10.8078 -9.9667 -9.8545 -9.8102 -9.7955 -9.7750 -9.7630 -2.8565 -2.8438 2.0695 2.0869 4.6550 4.7629 5.5762 5.6566 12.1256 12.1690 13.4868 13.4999 15.8443 16.0521 16.6974 16.7735 18.8441 19.0420 k = 0.5595-0.0344 0.5152 ( 1537 PWs) bands (ev): -10.9132 -10.8630 -10.8221 -10.8079 -9.9677 -9.8524 -9.8117 -9.7953 -9.7746 -9.7634 -2.8510 -2.8380 2.0710 2.0885 4.6734 4.7814 5.5113 5.5964 12.2551 12.2976 13.4868 13.5017 15.7111 15.9283 16.6068 16.6837 18.9711 19.1613 k = 0.5536-0.0309 0.5249 ( 1537 PWs) bands (ev): -10.9136 -10.8624 -10.8219 -10.8079 -9.9687 -9.8502 -9.8132 -9.7951 -9.7742 -9.7639 -2.8453 -2.8321 2.0723 2.0900 4.6934 4.8016 5.4462 5.5355 12.3901 12.4304 13.4858 13.5027 15.5817 15.8088 16.5167 16.5940 19.0938 19.2756 k = 0.5476-0.0275 0.5346 ( 1535 PWs) bands (ev): -10.9141 -10.8619 -10.8216 -10.8080 -9.9696 -9.8480 -9.8148 -9.7950 -9.7738 -9.7644 -2.8396 -2.8262 2.0734 2.0912 4.7148 4.8232 5.3818 5.4747 12.5288 12.5655 13.4834 13.5026 15.4571 15.6947 16.4285 16.5058 19.2114 19.3836 k = 0.5417-0.0241 0.5443 ( 1531 PWs) bands (ev): -10.9145 -10.8614 -10.8214 -10.8081 -9.9705 -9.8458 -9.8165 -9.7949 -9.7733 -9.7650 -2.8341 -2.8204 2.0743 2.0923 4.7375 4.8461 5.3192 5.4151 12.6690 12.7008 13.4794 13.5009 15.3384 15.5876 16.3438 16.4204 19.3228 19.4841 k = 0.5357-0.0206 0.5541 ( 1537 PWs) bands (ev): -10.9148 -10.8610 -10.8212 -10.8081 -9.9712 -9.8435 -9.8182 -9.7948 -9.7728 -9.7655 -2.8287 -2.8149 2.0749 2.0930 4.7615 4.8701 5.2591 5.3575 12.8079 12.8337 13.4733 13.4973 15.2272 15.4891 16.2639 16.3390 19.4267 19.5753 k = 0.5298-0.0172 0.5638 ( 1541 PWs) bands (ev): -10.9151 -10.8607 -10.8210 -10.8081 -9.9719 -9.8412 -9.8200 -9.7947 -9.7723 -9.7661 -2.8238 -2.8098 2.0753 2.0936 4.7863 4.8950 5.2025 5.3028 12.9421 12.9615 13.4648 13.4913 15.1254 15.4011 16.1905 16.2632 19.5217 19.6556 k = 0.5238-0.0137 0.5735 ( 1542 PWs) bands (ev): -10.9154 -10.8604 -10.8208 -10.8082 -9.9725 -9.8389 -9.8219 -9.7946 -9.7718 -9.7666 -2.8195 -2.8052 2.0754 2.0938 4.8118 4.9202 5.1505 5.2519 13.0663 13.0819 13.4535 13.4824 15.0357 15.3259 16.1256 16.1946 19.6060 19.7229 k = 0.5179-0.0103 0.5832 ( 1546 PWs) bands (ev): -10.9156 -10.8602 -10.8206 -10.8082 -9.9729 -9.8366 -9.8238 -9.7946 -9.7712 -9.7672 -2.8158 -2.8014 2.0753 2.0939 4.8370 4.9446 5.1049 5.2061 13.1741 13.1924 13.4388 13.4700 14.9613 15.2660 16.0712 16.1352 19.6774 19.7753 k = 0.5119-0.0069 0.5929 ( 1544 PWs) bands (ev): -10.9158 -10.8600 -10.8205 -10.8082 -9.9733 -9.8344 -9.8258 -9.7945 -9.7707 -9.7678 -2.8129 -2.7984 2.0751 2.0938 4.8605 4.9656 5.0686 5.1673 13.2617 13.2869 13.4204 13.4535 14.9057 15.2232 16.0298 16.0876 19.7333 19.8115 k = 0.5060-0.0034 0.6027 ( 1540 PWs) bands (ev): -10.9159 -10.8599 -10.8205 -10.8082 -9.9735 -9.8323 -9.8278 -9.7945 -9.7702 -9.7682 -2.8111 -2.7965 2.0749 2.0936 4.8789 4.9777 5.0476 5.1392 13.3268 13.3580 13.3986 13.4324 14.8720 15.1986 16.0036 16.0551 19.7702 19.8314 k = 0.5000-0.0000 0.6124 ( 1540 PWs) bands (ev): -10.9159 -10.8599 -10.8205 -10.8082 -9.9735 -9.8307 -9.8294 -9.7945 -9.7700 -9.7685 -2.8104 -2.7959 2.0747 2.0935 4.8861 4.9798 5.0426 5.1285 13.3631 13.3731 13.4014 13.4100 14.8611 15.1910 15.9946 16.0430 19.7834 19.8373 k = 0.5000-0.0000 0.6124 ( 1540 PWs) bands (ev): -10.9159 -10.8599 -10.8205 -10.8082 -9.9735 -9.8307 -9.8294 -9.7945 -9.7700 -9.7685 -2.8104 -2.7959 2.0747 2.0935 4.8861 4.9798 5.0426 5.1285 13.3631 13.3731 13.4014 13.4100 14.8611 15.1910 15.9946 16.0430 19.7834 19.8373 k = 0.5000 0.0070 0.6024 ( 1540 PWs) bands (ev): -10.9158 -10.8599 -10.8205 -10.8082 -9.9735 -9.8307 -9.8294 -9.7945 -9.7700 -9.7685 -2.8117 -2.7972 2.0756 2.0943 4.8713 4.9732 5.0520 5.1476 13.3239 13.3592 13.4122 13.4469 14.8566 15.1843 16.0033 16.0596 19.7570 19.8252 k = 0.5000 0.0141 0.5925 ( 1546 PWs) bands (ev): -10.9157 -10.8599 -10.8206 -10.8081 -9.9733 -9.8308 -9.8295 -9.7946 -9.7700 -9.7684 -2.8154 -2.8010 2.0782 2.0968 4.8403 4.9482 5.0870 5.1900 13.2776 13.3131 13.4503 13.4848 14.8442 15.1655 16.0315 16.1049 19.6863 19.7832 k = 0.5000 0.0211 0.5825 ( 1546 PWs) bands (ev): -10.9155 -10.8600 -10.8209 -10.8081 -9.9730 -9.8310 -9.8297 -9.7948 -9.7699 -9.7684 -2.8216 -2.8073 2.0823 2.1009 4.8067 4.9163 5.1364 5.2419 13.2296 13.2649 13.4844 13.5186 14.8270 15.1388 16.0803 16.1715 19.5821 19.7080 k = 0.5000 0.0282 0.5725 ( 1548 PWs) bands (ev): -10.9152 -10.8600 -10.8212 -10.8081 -9.9726 -9.8313 -9.8299 -9.7950 -9.7698 -9.7684 -2.8301 -2.8160 2.0878 2.1063 4.7751 4.8854 5.1924 5.2987 13.1804 13.2152 13.5132 13.5472 14.8086 15.1089 16.1474 16.2542 19.4518 19.6029 k = 0.5000 0.0352 0.5626 ( 1542 PWs) bands (ev): -10.9149 -10.8601 -10.8216 -10.8081 -9.9721 -9.8317 -9.8301 -9.7953 -9.7698 -9.7683 -2.8410 -2.8271 2.0945 2.1129 4.7475 4.8582 5.2522 5.3588 13.1303 13.1643 13.5352 13.5700 14.7930 15.0802 16.2297 16.3488 19.3015 19.4733 k = 0.5000 0.0422 0.5526 ( 1538 PWs) bands (ev): -10.9144 -10.8602 -10.8220 -10.8081 -9.9715 -9.8322 -9.8304 -9.7956 -9.7697 -9.7682 -2.8540 -2.8404 2.1020 2.1202 4.7249 4.8357 5.3148 5.4213 13.0792 13.1120 13.5496 13.5866 14.7833 15.0563 16.3242 16.4526 19.1363 19.3248 k = 0.5000 0.0493 0.5427 ( 1538 PWs) bands (ev): -10.9139 -10.8603 -10.8225 -10.8082 -9.9708 -9.8327 -9.8308 -9.7960 -9.7696 -9.7681 -2.8690 -2.8558 2.1100 2.1280 4.7080 4.8189 5.3795 5.4857 13.0272 13.0584 13.5557 13.5969 14.7817 15.0396 16.4283 16.5634 18.9602 19.1627 k = 0.5000 0.0563 0.5327 ( 1540 PWs) bands (ev): -10.9133 -10.8603 -10.8231 -10.8083 -9.9700 -9.8333 -9.8312 -9.7965 -9.7694 -9.7680 -2.8860 -2.8732 2.1181 2.1359 4.6973 4.8082 5.4457 5.5515 12.9740 13.0031 13.5538 13.6009 14.7894 15.0318 16.5399 16.6792 18.7770 18.9918 k = 0.5000 0.0634 0.5228 ( 1540 PWs) bands (ev): -10.9127 -10.8604 -10.8237 -10.8084 -9.9691 -9.8340 -9.8317 -9.7970 -9.7693 -9.7679 -2.9047 -2.8923 2.1259 2.1434 4.6934 4.8043 5.5131 5.6182 12.9195 12.9459 13.5451 13.5991 14.8065 15.0336 16.6574 16.7986 18.5897 18.8160 k = 0.5000 0.0704 0.5128 ( 1538 PWs) bands (ev): -10.9119 -10.8605 -10.8243 -10.8086 -9.9681 -9.8347 -9.8322 -9.7977 -9.7691 -9.7677 -2.9249 -2.9130 2.1330 2.1503 4.6966 4.8074 5.5814 5.6857 12.8633 12.8862 13.5313 13.5923 14.8324 15.0447 16.7791 16.9195 18.4010 18.6394 k = 0.5000 0.0774 0.5028 ( 1536 PWs) bands (ev): -10.9111 -10.8606 -10.8250 -10.8089 -9.9669 -9.8355 -9.8327 -9.7983 -9.7689 -9.7675 -2.9465 -2.9351 2.1391 2.1562 4.7072 4.8178 5.6502 5.7536 12.8049 12.8238 13.5145 13.5816 14.8658 15.0645 16.9031 17.0393 18.2141 18.4663 k = 0.5000 0.0845 0.4929 ( 1534 PWs) bands (ev): -10.9102 -10.8607 -10.8257 -10.8093 -9.9657 -9.8364 -9.8333 -9.7991 -9.7687 -9.7673 -2.9694 -2.9585 2.1439 2.1608 4.7256 4.8359 5.7193 5.8216 12.7440 12.7583 13.4964 13.5685 14.9051 15.0917 17.0263 17.1534 18.0331 18.3027 k = 0.5000 0.0915 0.4829 ( 1536 PWs) bands (ev): -10.9092 -10.8608 -10.8264 -10.8097 -9.9643 -9.8373 -9.8339 -9.7999 -9.7685 -9.7671 -2.9932 -2.9829 2.1471 2.1637 4.7517 4.8618 5.7883 5.8895 12.6801 12.6892 13.4790 13.5547 14.9488 15.1248 17.1424 17.2520 17.8665 18.1589 k = 0.5000 0.0986 0.4730 ( 1536 PWs) bands (ev): -10.9082 -10.8609 -10.8272 -10.8102 -9.9629 -9.8383 -9.8345 -9.8008 -9.7683 -9.7668 -3.0179 -3.0081 2.1486 2.1650 4.7858 4.8954 5.8571 5.9569 12.6129 12.6165 13.4637 13.5415 14.9950 15.1618 17.2350 17.3123 17.7369 18.0537 k = 0.5000 0.1056 0.4630 ( 1534 PWs) bands (ev): -10.9071 -10.8610 -10.8279 -10.8108 -9.9613 -9.8394 -9.8352 -9.8018 -9.7680 -9.7665 -3.0432 -3.0340 2.1481 2.1643 4.8277 4.9369 5.9253 6.0236 12.5398 12.5423 13.4517 13.5304 15.0420 15.2009 17.2617 17.2995 17.6971 18.0144 k = 0.5000 0.1127 0.4531 ( 1530 PWs) bands (ev): -10.9059 -10.8610 -10.8287 -10.8115 -9.9597 -9.8405 -9.8358 -9.8028 -9.7677 -9.7662 -3.0691 -3.0604 2.1458 2.1617 4.8774 4.9859 5.9928 6.0893 12.4595 12.4676 13.4438 13.5225 15.0879 15.2399 17.1710 17.2438 17.7607 18.0513 k = 0.5000 0.1197 0.4431 ( 1530 PWs) bands (ev): -10.9047 -10.8611 -10.8295 -10.8123 -9.9579 -9.8416 -9.8365 -9.8039 -9.7673 -9.7659 -3.0952 -3.0871 2.1415 2.1572 4.9345 5.0424 6.0593 6.1539 12.3754 12.3890 13.4405 13.5185 15.1307 15.2762 17.0370 17.1499 17.8753 18.1417 k = 0.5000 0.1267 0.4331 ( 1534 PWs) bands (ev): -10.9034 -10.8611 -10.8303 -10.8133 -9.9561 -9.8429 -9.8371 -9.8051 -9.7670 -9.7656 -3.1214 -3.1139 2.1355 2.1509 4.9989 5.1059 6.1246 6.2172 12.2877 12.3064 13.4423 13.5191 15.1680 15.3071 16.9001 17.0376 18.0095 18.2602 k = 0.5000 0.1338 0.4232 ( 1532 PWs) bands (ev): -10.9021 -10.8611 -10.8311 -10.8143 -9.9542 -9.8442 -9.8377 -9.8063 -9.7666 -9.7653 -3.1477 -3.1407 2.1278 2.1429 5.0700 5.1761 6.1885 6.2788 12.1965 12.2199 13.4492 13.5246 15.1973 15.3292 16.7726 16.9242 18.1526 18.3931 k = 0.5000 0.1408 0.4132 ( 1530 PWs) bands (ev): -10.9007 -10.8611 -10.8320 -10.8154 -9.9521 -9.8456 -9.8383 -9.8076 -9.7662 -9.7649 -3.1737 -3.1673 2.1186 2.1334 5.1475 5.2527 6.2508 6.3386 12.1019 12.1295 13.4615 13.5354 15.2160 15.3390 16.6606 16.8191 18.3002 18.5336 k = 0.5000 0.1479 0.4033 ( 1530 PWs) bands (ev): -10.8992 -10.8610 -10.8328 -10.8166 -9.9500 -9.8470 -9.8389 -9.8089 -9.7658 -9.7646 -3.1994 -3.1936 2.1082 2.1226 5.2310 5.3350 6.3113 6.3964 12.0043 12.0354 13.4790 13.5515 15.2214 15.3330 16.5687 16.7282 18.4502 18.6781 k = 0.5000 0.1549 0.3933 ( 1532 PWs) bands (ev): -10.8977 -10.8610 -10.8336 -10.8179 -9.9478 -9.8486 -9.8393 -9.8102 -9.7653 -9.7642 -3.2247 -3.2194 2.0967 2.1107 5.3198 5.4226 6.3698 6.4521 11.9037 11.9378 13.5016 13.5728 15.2115 15.3091 16.4993 16.6551 18.6012 18.8244 k = 0.5000 0.1619 0.3834 ( 1532 PWs) bands (ev): -10.8961 -10.8609 -10.8345 -10.8193 -9.9455 -9.8503 -9.8398 -9.8116 -9.7649 -9.7639 -3.2494 -3.2445 2.0844 2.0980 5.4134 5.5149 6.4262 6.5054 11.8005 11.8370 13.5292 13.5993 15.1856 15.2669 16.4528 16.6010 18.7519 18.9707 k = 0.5000 0.1690 0.3734 ( 1536 PWs) bands (ev): -10.8944 -10.8607 -10.8353 -10.8209 -9.9432 -9.8520 -9.8401 -9.8130 -9.7644 -9.7635 -3.2734 -3.2690 2.0715 2.0846 5.5113 5.6112 6.4804 6.5564 11.6948 11.7332 13.5615 13.6306 15.1444 15.2088 16.4266 16.5653 18.9010 19.1151 k = 0.5000 0.1760 0.3634 ( 1534 PWs) bands (ev): -10.8928 -10.8606 -10.8362 -10.8225 -9.9407 -9.8539 -9.8404 -9.8144 -9.7640 -9.7632 -3.2966 -3.2926 2.0582 2.0708 5.6127 5.7110 6.5322 6.6047 11.5869 11.6267 13.5983 13.6665 15.0903 15.1389 16.4166 16.5456 19.0471 19.2557 k = 0.5000 0.1831 0.3535 ( 1530 PWs) bands (ev): -10.8910 -10.8604 -10.8370 -10.8241 -9.9382 -9.8558 -9.8406 -9.8159 -9.7635 -9.7628 -3.3188 -3.3153 2.0448 2.0568 5.7171 5.8135 6.5815 6.6504 11.4773 11.5181 13.6393 13.7066 15.0265 15.0616 16.4180 16.5382 19.1883 19.3897 k = 0.5000 0.1901 0.3435 ( 1526 PWs) bands (ev): -10.8892 -10.8601 -10.8379 -10.8259 -9.9356 -9.8579 -9.8407 -9.8173 -9.7631 -9.7625 -3.3400 -3.3369 2.0314 2.0429 5.8236 5.9180 6.6282 6.6933 11.3664 11.4078 13.6838 13.7505 14.9565 14.9814 16.4265 16.5391 19.3220 19.5137 k = 0.5000 0.1971 0.3336 ( 1522 PWs) bands (ev): -10.8874 -10.8599 -10.8388 -10.8277 -9.9330 -9.8600 -9.8408 -9.8187 -9.7626 -9.7622 -3.3602 -3.3574 2.0182 2.0291 5.9316 6.0236 6.6722 6.7335 11.2548 11.2965 13.7315 13.7975 14.8831 14.9015 16.4383 16.5447 19.4447 19.6227 k = 0.5000 0.2042 0.3236 ( 1522 PWs) bands (ev): -10.8855 -10.8596 -10.8396 -10.8296 -9.9303 -9.8622 -9.8408 -9.8201 -9.7622 -9.7618 -3.3791 -3.3767 2.0054 2.0156 6.0401 6.1294 6.7136 6.7707 11.1432 11.1847 13.7818 13.8469 14.8092 14.8245 16.4507 16.5517 19.5518 19.7106 k = 0.5000 0.2112 0.3137 ( 1522 PWs) bands (ev): -10.8836 -10.8594 -10.8404 -10.8315 -9.9275 -9.8646 -9.8406 -9.8215 -9.7618 -9.7615 -3.3968 -3.3947 1.9932 2.0027 6.1481 6.2344 6.7523 6.8052 11.0324 11.0734 13.8338 13.8980 14.7372 14.7520 16.4617 16.5578 19.6382 19.7719 k = 0.5000 0.2183 0.3037 ( 1520 PWs) bands (ev): -10.8817 -10.8591 -10.8413 -10.8335 -9.9247 -9.8670 -9.8404 -9.8229 -9.7615 -9.7612 -3.4132 -3.4113 1.9817 1.9904 6.2546 6.3375 6.7883 6.8368 10.9234 10.9636 13.8867 13.9496 14.6695 14.6848 16.4700 16.5613 19.6997 19.8047 k = 0.5000 0.2253 0.2937 ( 1522 PWs) bands (ev): -10.8797 -10.8588 -10.8421 -10.8355 -9.9218 -9.8695 -9.8402 -9.8242 -9.7611 -9.7610 -3.4282 -3.4266 1.9709 1.9788 6.3583 6.4372 6.8218 6.8657 10.8173 10.8563 13.9394 14.0007 14.6078 14.6236 16.4746 16.5609 19.7361 19.8135 k = 0.5000 0.2323 0.2838 ( 1520 PWs) bands (ev): -10.8777 -10.8585 -10.8429 -10.8374 -9.9189 -9.8721 -9.8398 -9.8255 -9.7608 -9.7607 -3.4417 -3.4404 1.9611 1.9682 6.4579 6.5320 6.8529 6.8920 10.7156 10.7529 13.9906 14.0496 14.5535 14.5693 16.4755 16.5561 19.7515 19.8063 k = 0.5000 0.2394 0.2738 ( 1520 PWs) bands (ev): -10.8756 -10.8583 -10.8437 -10.8394 -9.9160 -9.8748 -9.8394 -9.8268 -9.7606 -9.7605 -3.4538 -3.4526 1.9523 1.9585 6.5515 6.6200 6.8820 6.9159 10.6198 10.6548 14.0387 14.0944 14.5077 14.5229 16.4729 16.5470 19.7530 19.7908 k = 0.5000 0.2464 0.2639 ( 1524 PWs) bands (ev): -10.8736 -10.8581 -10.8444 -10.8412 -9.9130 -9.8775 -9.8389 -9.8280 -9.7603 -9.7603 -3.4643 -3.4634 1.9445 1.9499 6.6373 6.6989 6.9096 6.9379 10.5316 10.5637 14.0818 14.1329 14.4717 14.4855 16.4675 16.5341 19.7468 19.7727 k = 0.5000 0.2535 0.2539 ( 1520 PWs) bands (ev): -10.8715 -10.8581 -10.8451 -10.8430 -9.9100 -9.8803 -9.8383 -9.8292 -9.7601 -9.7601 -3.4732 -3.4725 1.9379 1.9425 6.7131 6.7661 6.9365 6.9585 10.4529 10.4813 14.1180 14.1627 14.4466 14.4579 16.4604 16.5185 19.7377 19.7553 k = 0.5000 0.2605 0.2440 ( 1520 PWs) bands (ev): -10.8695 -10.8582 -10.8457 -10.8445 -9.9070 -9.8831 -9.8377 -9.8303 -9.7599 -9.7599 -3.4806 -3.4800 1.9325 1.9362 6.7764 6.8189 6.9635 6.9783 10.3855 10.4095 14.1458 14.1821 14.4328 14.4406 16.4531 16.5014 19.7285 19.7403 k = 0.5000 0.2676 0.2340 ( 1520 PWs) bands (ev): -10.8675 -10.8587 -10.8463 -10.8457 -9.9040 -9.8860 -9.8370 -9.8314 -9.7598 -9.7598 -3.4863 -3.4859 1.9284 1.9312 6.8254 6.8561 6.9897 6.9975 10.3315 10.3503 14.1648 14.1915 14.4284 14.4325 16.4470 16.4844 19.7207 19.7284 k = 0.5000 0.2746 0.2240 ( 1520 PWs) bands (ev): -10.8655 -10.8594 -10.8468 -10.8466 -9.9010 -9.8890 -9.8362 -9.8325 -9.7597 -9.7597 -3.4904 -3.4902 1.9256 1.9274 6.8597 6.8788 7.0122 7.0149 10.2925 10.3055 14.1765 14.1936 14.4296 14.4310 16.4434 16.4690 19.7152 19.7198 k = 0.5000 0.2816 0.2141 ( 1520 PWs) bands (ev): -10.8637 -10.8606 -10.8471 -10.8471 -9.8979 -9.8919 -9.8353 -9.8335 -9.7597 -9.7597 -3.4929 -3.4927 1.9240 1.9250 6.8805 6.8895 7.0273 7.0276 10.2699 10.2765 14.1835 14.1918 14.4321 14.4323 16.4435 16.4565 19.7122 19.7144 k = 0.5000 0.2887 0.2041 ( 1502 PWs) bands (ev): -10.8620 -10.8620 -10.8472 -10.8472 -9.8949 -9.8949 -9.8344 -9.8344 -9.7596 -9.7596 -3.4936 -3.4936 1.9238 1.9238 6.8900 6.8900 7.0325 7.0325 10.2645 10.2645 14.1883 14.1883 14.4332 14.4332 16.4478 16.4478 19.7119 19.7119 k = 0.5000 0.2887 0.2041 ( 1502 PWs) bands (ev): -10.8620 -10.8620 -10.8472 -10.8472 -9.8949 -9.8949 -9.8344 -9.8344 -9.7596 -9.7596 -3.4936 -3.4936 1.9238 1.9238 6.8900 6.8900 7.0325 7.0325 10.2645 10.2645 14.1883 14.1883 14.4332 14.4332 16.4478 16.4478 19.7119 19.7119 k = 0.4965 0.2867 0.2155 ( 1518 PWs) bands (ev): -10.8637 -10.8606 -10.8471 -10.8471 -9.8979 -9.8920 -9.8353 -9.8335 -9.7597 -9.7597 -3.4929 -3.4928 1.9240 1.9249 6.8807 6.8895 7.0275 7.0277 10.2697 10.2762 14.1836 14.1917 14.4321 14.4323 16.4435 16.4563 19.7122 19.7143 k = 0.4931 0.2847 0.2268 ( 1518 PWs) bands (ev): -10.8655 -10.8595 -10.8468 -10.8466 -9.9009 -9.8890 -9.8362 -9.8325 -9.7597 -9.7597 -3.4905 -3.4902 1.9255 1.9273 6.8604 6.8791 7.0132 7.0149 10.2917 10.3045 14.1767 14.1936 14.4297 14.4309 16.4434 16.4686 19.7151 19.7196 k = 0.4896 0.2827 0.2381 ( 1518 PWs) bands (ev): -10.8674 -10.8587 -10.8463 -10.8458 -9.9039 -9.8862 -9.8369 -9.8315 -9.7598 -9.7598 -3.4865 -3.4861 1.9283 1.9310 6.8273 6.8570 6.9922 6.9969 10.3296 10.3482 14.1654 14.1917 14.4286 14.4321 16.4468 16.4838 19.7205 19.7280 k = 0.4861 0.2807 0.2495 ( 1518 PWs) bands (ev): -10.8694 -10.8583 -10.8458 -10.8446 -9.9068 -9.8833 -9.8376 -9.8304 -9.7599 -9.7599 -3.4810 -3.4804 1.9323 1.9359 6.7799 6.8203 6.9684 6.9766 10.3822 10.4059 14.1473 14.1829 14.4328 14.4393 16.4527 16.5005 19.7281 19.7395 k = 0.4826 0.2787 0.2608 ( 1518 PWs) bands (ev): -10.8714 -10.8581 -10.8451 -10.8431 -9.9098 -9.8805 -9.8383 -9.8293 -9.7601 -9.7600 -3.4738 -3.4731 1.9375 1.9420 6.7184 6.7681 6.9446 6.9554 10.4478 10.4758 14.1210 14.1645 14.4460 14.4552 16.4599 16.5172 19.7375 19.7540 k = 0.4792 0.2766 0.2722 ( 1521 PWs) bands (ev): -10.8734 -10.8581 -10.8444 -10.8414 -9.9128 -9.8777 -9.8388 -9.8281 -9.7603 -9.7602 -3.4651 -3.4642 1.9439 1.9493 6.6444 6.7014 6.9214 6.9335 10.5245 10.5560 14.0867 14.1363 14.4699 14.4807 16.4667 16.5325 19.7474 19.7711 k = 0.4757 0.2746 0.2835 ( 1521 PWs) bands (ev): -10.8754 -10.8583 -10.8437 -10.8396 -9.9157 -9.8751 -9.8393 -9.8269 -9.7606 -9.7604 -3.4548 -3.4537 1.9515 1.9577 6.5601 6.6230 6.8980 6.9107 10.6103 10.6444 14.0463 14.1000 14.5043 14.5157 16.4718 16.5449 19.7561 19.7895 k = 0.4722 0.2726 0.2948 ( 1519 PWs) bands (ev): -10.8774 -10.8585 -10.8429 -10.8377 -9.9186 -9.8725 -9.8397 -9.8257 -9.7609 -9.7606 -3.4431 -3.4418 1.9601 1.9671 6.4676 6.5352 6.8737 6.8866 10.7031 10.7391 14.0018 14.0581 14.5480 14.5595 16.4739 16.5531 19.7606 19.8070 k = 0.4688 0.2706 0.3062 ( 1517 PWs) bands (ev): -10.8794 -10.8588 -10.8421 -10.8357 -9.9214 -9.8700 -9.8400 -9.8244 -9.7612 -9.7608 -3.4299 -3.4284 1.9696 1.9775 6.3686 6.4403 6.8482 6.8610 10.8011 10.8380 13.9554 14.0132 14.5997 14.6111 16.4719 16.5563 19.7572 19.8205 k = 0.4653 0.2686 0.3175 ( 1519 PWs) bands (ev): -10.8813 -10.8592 -10.8413 -10.8338 -9.9242 -9.8676 -9.8402 -9.8231 -9.7616 -9.7611 -3.4153 -3.4135 1.9801 1.9887 6.2648 6.3400 6.8211 6.8338 10.9021 10.9394 13.9091 13.9676 14.6587 14.6698 16.4652 16.5538 19.7417 19.8257 k = 0.4618 0.2666 0.3289 ( 1520 PWs) bands (ev): -10.8832 -10.8595 -10.8404 -10.8318 -9.9270 -9.8653 -9.8402 -9.8218 -9.7620 -9.7613 -3.3994 -3.3973 1.9914 2.0007 6.1576 6.2358 6.7925 6.8051 11.0043 11.0411 13.8647 13.9233 14.7242 14.7352 16.4533 16.5454 19.7108 19.8182 k = 0.4583 0.2646 0.3402 ( 1522 PWs) bands (ev): -10.8851 -10.8599 -10.8396 -10.8299 -9.9297 -9.8633 -9.8401 -9.8205 -9.7624 -9.7615 -3.3822 -3.3798 2.0033 2.0134 6.0481 6.1291 6.7624 6.7749 11.1056 11.1414 13.8240 13.8821 14.7957 14.8067 16.4361 16.5311 19.6632 19.7943 k = 0.4549 0.2626 0.3515 ( 1524 PWs) bands (ev): -10.8869 -10.8603 -10.8387 -10.8280 -9.9323 -9.8614 -9.8398 -9.8191 -9.7629 -9.7618 -3.3637 -3.3610 2.0158 2.0265 5.9373 6.0208 6.7310 6.7434 11.2043 11.2383 13.7886 13.8457 14.8726 14.8838 16.4140 16.5114 19.5997 19.7525 k = 0.4514 0.2606 0.3629 ( 1526 PWs) bands (ev): -10.8886 -10.8606 -10.8379 -10.8262 -9.9348 -9.8598 -9.8393 -9.8178 -9.7634 -9.7620 -3.3441 -3.3410 2.0286 2.0400 5.8263 5.9121 6.6983 6.7106 11.2983 11.3298 13.7600 13.8156 14.9544 14.9661 16.3875 16.4871 19.5225 19.6937 k = 0.4479 0.2586 0.3742 ( 1526 PWs) bands (ev): -10.8903 -10.8610 -10.8370 -10.8244 -9.9372 -9.8585 -9.8385 -9.8165 -9.7639 -9.7622 -3.3234 -3.3200 2.0417 2.0536 5.7158 5.8037 6.6645 6.6768 11.3858 11.4143 13.7394 13.7933 15.0408 15.0533 16.3574 16.4589 19.4348 19.6205 k = 0.4444 0.2566 0.3856 ( 1527 PWs) bands (ev): -10.8919 -10.8614 -10.8361 -10.8227 -9.9396 -9.8574 -9.8374 -9.8151 -9.7645 -9.7625 -3.3018 -3.2979 2.0548 2.0673 5.6067 5.6966 6.6299 6.6421 11.4650 11.4898 13.7279 13.7799 15.1313 15.1450 16.3249 16.4280 19.3394 19.5360 k = 0.4410 0.2546 0.3969 ( 1533 PWs) bands (ev): -10.8935 -10.8617 -10.8353 -10.8211 -9.9419 -9.8567 -9.8362 -9.8138 -9.7651 -9.7627 -3.2792 -3.2750 2.0677 2.0807 5.4997 5.5913 6.5945 6.6067 11.5344 11.5551 13.7262 13.7760 15.2254 15.2407 16.2912 16.3959 19.2388 19.4433 k = 0.4375 0.2526 0.4082 ( 1525 PWs) bands (ev): -10.8950 -10.8620 -10.8344 -10.8195 -9.9440 -9.8562 -9.8347 -9.8126 -9.7657 -9.7628 -3.2559 -3.2512 2.0803 2.0937 5.3954 5.4888 6.5586 6.5708 11.5927 11.6091 13.7342 13.7820 15.3225 15.3401 16.2581 16.3640 19.1349 19.3449 k = 0.4340 0.2506 0.4196 ( 1529 PWs) bands (ev): -10.8965 -10.8624 -10.8336 -10.8180 -9.9460 -9.8559 -9.8330 -9.8113 -9.7663 -9.7630 -3.2319 -3.2267 2.0921 2.1060 5.2946 5.3896 6.5223 6.5345 11.6393 11.6513 13.7512 13.7971 15.4220 15.4427 16.2274 16.3340 19.0292 19.2429 k = 0.4306 0.2486 0.4309 ( 1527 PWs) bands (ev): -10.8978 -10.8627 -10.8328 -10.8167 -9.9479 -9.8558 -9.8312 -9.8101 -9.7669 -9.7631 -3.2074 -3.2017 2.1032 2.1174 5.1978 5.2944 6.4858 6.4979 11.6741 11.6817 13.7757 13.8201 15.5231 15.5482 16.2017 16.3080 18.9230 19.1391 k = 0.4271 0.2466 0.4423 ( 1531 PWs) bands (ev): -10.8991 -10.8630 -10.8320 -10.8154 -9.9497 -9.8559 -9.8292 -9.8089 -9.7676 -9.7632 -3.1825 -3.1763 2.1130 2.1276 5.1058 5.2038 6.4493 6.4614 11.6975 11.7010 13.8055 13.8488 15.6246 15.6560 16.1838 16.2881 18.8172 19.0345 k = 0.4236 0.2446 0.4536 ( 1531 PWs) bands (ev): -10.9004 -10.8633 -10.8312 -10.8142 -9.9514 -9.8561 -9.8273 -9.8078 -9.7682 -9.7632 -3.1573 -3.1507 2.1215 2.1363 5.0191 5.1184 6.4129 6.4250 11.7102 11.7103 13.8376 13.8801 15.7251 15.7655 16.1771 16.2765 18.7123 18.9302 k = 0.4201 0.2426 0.4649 ( 1531 PWs) bands (ev): -10.9015 -10.8636 -10.8305 -10.8130 -9.9529 -9.8564 -9.8252 -9.8067 -9.7689 -9.7633 -3.1321 -3.1249 2.1283 2.1434 4.9382 5.0387 6.3768 6.3888 11.7107 11.7139 13.8690 13.9107 15.8223 15.8762 16.1859 16.2758 18.6091 18.8270 k = 0.4167 0.2406 0.4763 ( 1527 PWs) bands (ev): -10.9026 -10.8639 -10.8298 -10.8120 -9.9543 -9.8568 -9.8232 -9.8057 -9.7695 -9.7632 -3.1069 -3.0993 2.1333 2.1487 4.8638 4.9655 6.3411 6.3531 11.7038 11.7096 13.8962 13.9370 15.9139 15.9872 16.2146 16.2882 18.5080 18.7254 k = 0.4132 0.2386 0.4876 ( 1527 PWs) bands (ev): -10.9036 -10.8642 -10.8291 -10.8111 -9.9556 -9.8573 -9.8211 -9.8048 -9.7702 -9.7632 -3.0820 -3.0739 2.1362 2.1518 4.7962 4.8990 6.3060 6.3179 11.6910 11.6989 13.9163 13.9558 15.9985 16.0974 16.2659 16.3161 18.4092 18.6261 k = 0.4097 0.2366 0.4990 ( 1531 PWs) bands (ev): -10.9045 -10.8645 -10.8284 -10.8103 -9.9567 -9.8578 -9.8191 -9.8039 -9.7709 -9.7631 -3.0576 -3.0489 2.1370 2.1528 4.7360 4.8397 6.2716 6.2834 11.6736 11.6830 13.9270 13.9644 16.0791 16.2053 16.3381 16.3616 18.3132 18.5294 k = 0.4062 0.2345 0.5103 ( 1532 PWs) bands (ev): -10.9054 -10.8648 -10.8278 -10.8096 -9.9577 -9.8584 -9.8171 -9.8031 -9.7715 -9.7629 -3.0338 -3.0247 2.1355 2.1515 4.6835 4.7880 6.2380 6.2498 11.6527 11.6632 13.9265 13.9611 16.1614 16.3092 16.4251 16.4262 18.2202 18.4360 k = 0.4028 0.2325 0.5217 ( 1528 PWs) bands (ev): -10.9062 -10.8651 -10.8272 -10.8090 -9.9585 -9.8591 -9.8151 -9.8024 -9.7721 -9.7627 -3.0109 -3.0014 2.1318 2.1480 4.6389 4.7441 6.2054 6.2171 11.6293 11.6405 13.9143 13.9452 16.2508 16.4091 16.5087 16.5206 18.1307 18.3462 k = 0.3993 0.2305 0.5330 ( 1530 PWs) bands (ev): -10.9068 -10.8654 -10.8266 -10.8085 -9.9592 -9.8598 -9.8131 -9.8017 -9.7728 -9.7625 -2.9892 -2.9792 2.1260 2.1425 4.6024 4.7082 6.1738 6.1855 11.6043 11.6158 13.8902 13.9168 16.3499 16.5082 16.6039 16.6198 18.0451 18.2609 k = 0.3958 0.2285 0.5443 ( 1531 PWs) bands (ev): -10.9075 -10.8657 -10.8261 -10.8080 -9.9597 -9.8606 -9.8112 -9.8011 -9.7734 -9.7623 -2.9687 -2.9584 2.1184 2.1350 4.5741 4.6803 6.1434 6.1551 11.5784 11.5900 13.8551 13.8770 16.4587 16.6101 16.7052 16.7198 17.9640 18.1810 k = 0.3924 0.2265 0.5557 ( 1531 PWs) bands (ev): -10.9080 -10.8660 -10.8256 -10.8077 -9.9601 -9.8615 -9.8093 -9.8006 -9.7740 -9.7620 -2.9499 -2.9392 2.1093 2.1261 4.5539 4.6604 6.1143 6.1259 11.5522 11.5636 13.8101 13.8269 16.5754 16.7146 16.8089 16.8187 17.8886 18.1079 k = 0.3889 0.2245 0.5670 ( 1534 PWs) bands (ev): -10.9084 -10.8663 -10.8251 -10.8074 -9.9604 -9.8623 -9.8075 -9.8001 -9.7746 -9.7618 -2.9328 -2.9219 2.0991 2.1160 4.5415 4.6483 6.0866 6.0981 11.5262 11.5371 13.7563 13.7682 16.6969 16.8187 16.9131 16.9150 17.8205 18.0439 k = 0.3854 0.2225 0.5784 ( 1535 PWs) bands (ev): -10.9088 -10.8666 -10.8247 -10.8073 -9.9605 -9.8633 -9.8058 -9.7997 -9.7751 -9.7615 -2.9179 -2.9067 2.0884 2.1053 4.5369 4.6438 6.0603 6.0717 11.5007 11.5110 13.6953 13.7024 16.8183 16.9179 17.0074 17.0160 17.7634 17.9930 k = 0.3819 0.2205 0.5897 ( 1531 PWs) bands (ev): -10.9091 -10.8669 -10.8243 -10.8072 -9.9605 -9.8643 -9.8041 -9.7994 -9.7757 -9.7612 -2.9052 -2.8940 2.0777 2.0946 4.5395 4.6465 6.0355 6.0469 11.4761 11.4857 13.6282 13.6307 16.9329 17.0083 17.0936 17.1125 17.7235 17.9613 k = 0.3785 0.2185 0.6010 ( 1528 PWs) bands (ev): -10.9093 -10.8673 -10.8239 -10.8072 -9.9603 -9.8653 -9.8025 -9.7991 -9.7762 -9.7610 -2.8951 -2.8838 2.0676 2.0845 4.5491 4.6561 6.0124 6.0237 11.4528 11.4613 13.5546 13.5563 17.0317 17.0875 17.1688 17.1939 17.7122 17.9579 k = 0.3750 0.2165 0.6124 ( 1528 PWs) bands (ev): -10.9094 -10.8676 -10.8236 -10.8073 -9.9601 -9.8664 -9.8010 -9.7988 -9.7766 -9.7607 -2.8878 -2.8765 2.0589 2.0755 4.5651 4.6721 5.9910 6.0022 11.4307 11.4382 13.4750 13.4806 17.1033 17.1520 17.2278 17.2525 17.7439 17.9916 k = 0.6250-0.0722 0.4082 ( 1528 PWs) bands (ev): -10.9094 -10.8676 -10.8236 -10.8073 -9.9601 -9.8664 -9.8010 -9.7988 -9.7766 -9.7607 -2.8878 -2.8765 2.0589 2.0755 4.5651 4.6721 5.9910 6.0023 11.4307 11.4382 13.4750 13.4806 17.1033 17.1520 17.2278 17.2525 17.7439 17.9916 k = 0.6190-0.0825 0.4082 ( 1528 PWs) bands (ev): -10.9095 -10.8682 -10.8231 -10.8075 -9.9594 -9.8683 -9.7985 -9.7984 -9.7774 -9.7603 -2.8787 -2.8675 2.0459 2.0619 4.6006 4.7074 5.9563 5.9676 11.3945 11.4000 13.3329 13.3444 17.1884 17.2379 17.3231 17.3421 17.8475 18.0908 k = 0.6131-0.0928 0.4082 ( 1532 PWs) bands (ev): -10.9094 -10.8689 -10.8227 -10.8078 -9.9586 -9.8702 -9.7980 -9.7961 -9.7782 -9.7600 -2.8713 -2.8603 2.0336 2.0490 4.6415 4.7477 5.9231 5.9342 11.3588 11.3621 13.1854 13.2020 17.2642 17.3116 17.4299 17.4470 17.9620 18.2003 k = 0.6071-0.1031 0.4082 ( 1536 PWs) bands (ev): -10.9094 -10.8696 -10.8222 -10.8081 -9.9576 -9.8723 -9.7977 -9.7937 -9.7789 -9.7596 -2.8654 -2.8546 2.0219 2.0367 4.6874 4.7929 5.8912 5.9024 11.3237 11.3247 13.0346 13.0552 17.3374 17.3816 17.5437 17.5602 18.0825 18.3160 k = 0.6012-0.1134 0.4082 ( 1536 PWs) bands (ev): -10.9092 -10.8705 -10.8217 -10.8084 -9.9564 -9.8744 -9.7973 -9.7914 -9.7796 -9.7593 -2.8608 -2.8504 2.0108 2.0249 4.7378 4.8423 5.8608 5.8720 11.2876 11.2891 12.8822 12.9059 17.4122 17.4529 17.6612 17.6775 18.2058 18.4346 k = 0.5952-0.1237 0.4082 ( 1530 PWs) bands (ev): -10.9089 -10.8714 -10.8213 -10.8088 -9.9551 -9.8766 -9.7969 -9.7892 -9.7803 -9.7590 -2.8575 -2.8475 2.0003 2.0136 4.7923 4.8954 5.8319 5.8431 11.2507 11.2550 12.7301 12.7558 17.4902 17.5274 17.7809 17.7971 18.3297 18.5536 k = 0.5893-0.1340 0.4082 ( 1534 PWs) bands (ev): -10.9085 -10.8724 -10.8209 -10.8092 -9.9537 -9.8788 -9.7966 -9.7872 -9.7809 -9.7587 -2.8553 -2.8457 1.9902 2.0027 4.8502 4.9517 5.8046 5.8159 11.2141 11.2212 12.5800 12.6067 17.5718 17.6054 17.9017 17.9179 18.4523 18.6711 k = 0.5833-0.1443 0.4082 ( 1534 PWs) bands (ev): -10.9081 -10.8734 -10.8204 -10.8096 -9.9521 -9.8812 -9.7962 -9.7856 -9.7811 -9.7585 -2.8540 -2.8448 1.9806 1.9923 4.9110 5.0105 5.7789 5.7904 11.1774 11.1876 12.4335 12.4602 17.6568 17.6869 18.0230 18.0394 18.5720 18.7851 k = 0.5774-0.1546 0.4082 ( 1530 PWs) bands (ev): -10.9075 -10.8745 -10.8200 -10.8101 -9.9504 -9.8836 -9.7959 -9.7847 -9.7806 -9.7583 -2.8534 -2.8448 1.9714 1.9824 4.9739 5.0710 5.7548 5.7665 11.1405 11.1539 12.2924 12.3180 17.7449 17.7713 18.1441 18.1609 18.6875 18.8941 k = 0.5714-0.1650 0.4082 ( 1530 PWs) bands (ev): -10.9069 -10.8757 -10.8196 -10.8105 -9.9485 -9.8860 -9.7955 -9.7847 -9.7792 -9.7582 -2.8534 -2.8454 1.9628 1.9729 5.0382 5.1324 5.7325 5.7445 11.1030 11.1199 12.1581 12.1817 17.8353 17.8581 18.2643 18.2818 18.7974 18.9962 k = 0.5655-0.1753 0.4082 ( 1542 PWs) bands (ev): -10.9061 -10.8770 -10.8192 -10.8109 -9.9465 -9.8885 -9.7952 -9.7851 -9.7776 -9.7582 -2.8540 -2.8465 1.9546 1.9639 5.1029 5.1938 5.7120 5.7243 11.0648 11.0852 12.0322 12.0529 17.9274 17.9465 18.3828 18.4015 18.9005 19.0898 k = 0.5595-0.1856 0.4082 ( 1542 PWs) bands (ev): -10.9053 -10.8783 -10.8188 -10.8113 -9.9444 -9.8911 -9.7948 -9.7857 -9.7758 -9.7581 -2.8549 -2.8480 1.9471 1.9555 5.1671 5.2542 5.6933 5.7061 11.0255 11.0493 11.9163 11.9334 18.0204 18.0357 18.4986 18.5190 18.9956 19.1734 k = 0.5536-0.1959 0.4082 ( 1550 PWs) bands (ev): -10.9044 -10.8797 -10.8184 -10.8118 -9.9422 -9.8937 -9.7945 -9.7863 -9.7741 -9.7582 -2.8560 -2.8498 1.9401 1.9477 5.2298 5.3125 5.6767 5.6899 10.9851 11.0120 11.8117 11.8247 18.1136 18.1250 18.6105 18.6332 19.0817 19.2458 k = 0.5476-0.2062 0.4082 ( 1550 PWs) bands (ev): -10.9034 -10.8811 -10.8181 -10.8122 -9.9399 -9.8964 -9.7941 -9.7868 -9.7724 -9.7583 -2.8573 -2.8517 1.9337 1.9405 5.2898 5.3677 5.6622 5.6759 10.9439 10.9732 11.7193 11.7282 18.2059 18.2134 18.7167 18.7426 19.1585 19.3060 k = 0.5417-0.2165 0.4082 ( 1550 PWs) bands (ev): -10.9024 -10.8826 -10.8177 -10.8126 -9.9375 -9.8991 -9.7938 -9.7874 -9.7709 -9.7585 -2.8586 -2.8537 1.9281 1.9340 5.3460 5.4182 5.6501 5.6643 10.9024 10.9329 11.6397 11.6448 18.2961 18.2998 18.8151 18.8451 19.2258 19.3540 k = 0.5357-0.2268 0.4082 ( 1548 PWs) bands (ev): -10.9012 -10.8841 -10.8174 -10.8130 -9.9350 -9.9019 -9.7934 -9.7880 -9.7694 -9.7588 -2.8598 -2.8556 1.9232 1.9282 5.3970 5.4627 5.6410 5.6554 10.8618 10.8921 11.5730 11.5749 18.3828 18.3830 18.9030 18.9381 19.2847 19.3906 k = 0.5298-0.2371 0.4082 ( 1548 PWs) bands (ev): -10.9000 -10.8856 -10.8170 -10.8134 -9.9324 -9.9047 -9.7930 -9.7885 -9.7680 -9.7592 -2.8610 -2.8574 1.9190 1.9232 5.4416 5.4993 5.6357 5.6495 10.8236 10.8521 11.5183 11.5187 18.4610 18.4647 18.9773 19.0179 19.3364 19.4182 k = 0.5238-0.2474 0.4082 ( 1548 PWs) bands (ev): -10.8988 -10.8871 -10.8166 -10.8138 -9.9298 -9.9075 -9.7926 -9.7891 -9.7667 -9.7596 -2.8619 -2.8591 1.9156 1.9190 5.4783 5.5260 5.6352 5.6469 10.7897 10.8148 11.4743 11.4760 18.5324 18.5389 19.0359 19.0804 19.3824 19.4399 k = 0.5179-0.2577 0.4082 ( 1544 PWs) bands (ev): -10.8975 -10.8886 -10.8163 -10.8142 -9.9271 -9.9103 -9.7923 -9.7896 -9.7654 -9.7602 -2.8626 -2.8605 1.9130 1.9156 5.5064 5.5417 5.6397 5.6476 10.7620 10.7821 11.4418 11.4438 18.5945 18.6025 19.0783 19.1220 19.4228 19.4588 k = 0.5119-0.2681 0.4082 ( 1538 PWs) bands (ev): -10.8961 -10.8902 -10.8159 -10.8145 -9.9243 -9.9131 -9.7919 -9.7901 -9.7643 -9.7608 -2.8631 -2.8616 1.9113 1.9130 5.5259 5.5484 5.6466 5.6506 10.7420 10.7561 11.4197 11.4214 18.6441 18.6516 19.1070 19.1426 19.4558 19.4756 k = 0.5060-0.2784 0.4082 ( 1534 PWs) bands (ev): -10.8946 -10.8917 -10.8156 -10.8149 -9.9216 -9.9159 -9.7914 -9.7905 -9.7633 -9.7616 -2.8632 -2.8625 1.9105 1.9113 5.5383 5.5490 5.6525 5.6538 10.7310 10.7382 11.4071 11.4081 18.6775 18.6821 19.1263 19.1464 19.4786 19.4871 k = 0.5000-0.2887 0.4082 ( 1524 PWs) bands (ev): -10.8932 -10.8932 -10.8152 -10.8152 -9.9188 -9.9188 -9.7910 -9.7910 -9.7624 -9.7624 -2.8630 -2.8630 1.9105 1.9105 5.5456 5.5456 5.6549 5.6549 10.7297 10.7297 11.4033 11.4033 18.6910 18.6910 19.1395 19.1395 19.4890 19.4890 Writing output data file SnS.save init_run : 3.27s CPU 13.43s WALL ( 1 calls) electrons : 150.88s CPU 155.55s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.17s CPU 1.33s WALL ( 1 calls) Called by electrons: c_bands : 150.86s CPU 155.32s WALL ( 1 calls) v_of_rho : 0.07s CPU 0.79s WALL ( 1 calls) v_h : 0.01s CPU 0.02s WALL ( 1 calls) v_xc : 0.05s CPU 0.37s WALL ( 1 calls) newd : 0.19s CPU 0.49s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 385 calls) cegterg : 123.43s CPU 124.56s WALL ( 539 calls) Called by sum_band: Called by *egterg: h_psi : 59.96s CPU 64.58s WALL ( 8970 calls) s_psi : 5.32s CPU 5.82s WALL ( 8970 calls) g_psi : 0.06s CPU 0.17s WALL ( 8046 calls) cdiaghg : 42.34s CPU 41.04s WALL ( 8431 calls) cegterg:over : 10.19s CPU 8.57s WALL ( 8046 calls) cegterg:upda : 0.48s CPU 1.44s WALL ( 8046 calls) cegterg:last : 0.71s CPU 1.21s WALL ( 1601 calls) Called by h_psi: h_psi:vloc : 49.83s CPU 53.79s WALL ( 8970 calls) h_psi:vnl : 10.10s CPU 10.51s WALL ( 8970 calls) add_vuspsi : 2.49s CPU 4.08s WALL ( 8970 calls) General routines calbec : 7.59s CPU 6.36s WALL ( 8970 calls) fft : 0.13s CPU 1.06s WALL ( 19 calls) ffts : 0.03s CPU 0.09s WALL ( 4 calls) fftw : 48.13s CPU 51.30s WALL ( 528884 calls) interpolate : 0.04s CPU 0.11s WALL ( 4 calls) davcio : 0.03s CPU 1.05s WALL ( 770 calls) Parallel routines fft_scatter : 32.89s CPU 35.44s WALL ( 528907 calls) PWSCF : 3m 1.95s CPU 4m11.00s WALL This run was terminated on: 23:15:40 27Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=