Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 9:25 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SiPt2.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 55 22 6 1300 329 54 Max 56 23 7 1304 347 58 Sum 2015 825 245 46913 12167 2013 bravais-lattice index = 14 lattice parameter (alat) = 7.6683 a.u. unit-cell volume = 308.4622 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.668253 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.530298 celldm(5)= -0.530298 celldm(6)= 0.060595 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.060595 0.998162 0.000000 ) a(3) = ( -0.530298 -0.499081 0.685348 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.060707 0.729556 ) b(2) = ( 0.000000 1.001841 0.729556 ) b(3) = ( 0.000000 0.000000 1.459112 ) PseudoPot. # 1 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 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 Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Pt 10.00 195.08400 Pt( 1.00) Si 4.00 28.08550 Si( 1.00) 4 Sym. Ops., with 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 = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 420 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 2) = ( 0.0000000 0.0000000 0.0127992), wk = 0.0023810 k( 3) = ( 0.0000000 0.0000000 0.0255985), wk = 0.0023810 k( 4) = ( 0.0000000 0.0000000 0.0383977), wk = 0.0023810 k( 5) = ( 0.0000000 0.0000000 0.0511969), wk = 0.0023810 k( 6) = ( 0.0000000 0.0000000 0.0639961), wk = 0.0023810 k( 7) = ( 0.0000000 0.0000000 0.0767954), wk = 0.0023810 k( 8) = ( 0.0000000 0.0000000 0.0895946), wk = 0.0023810 k( 9) = ( 0.0000000 0.0000000 0.1023938), wk = 0.0023810 k( 10) = ( 0.0000000 0.0000000 0.1151931), wk = 0.0023810 k( 11) = ( 0.0000000 0.0000000 0.1279923), wk = 0.0023810 k( 12) = ( 0.0000000 0.0000000 0.1407915), wk = 0.0023810 k( 13) = ( 0.0000000 0.0000000 0.1535908), wk = 0.0023810 k( 14) = ( 0.0000000 0.0000000 0.1663900), wk = 0.0023810 k( 15) = ( 0.0000000 0.0000000 0.1791892), wk = 0.0023810 k( 16) = ( 0.0000000 0.0000000 0.1919884), wk = 0.0023810 k( 17) = ( 0.0000000 0.0000000 0.2047877), wk = 0.0023810 k( 18) = ( 0.0000000 0.0000000 0.2175869), wk = 0.0023810 k( 19) = ( 0.0000000 0.0000000 0.2303861), wk = 0.0023810 k( 20) = ( 0.0000000 0.0000000 0.2431854), wk = 0.0023810 k( 21) = ( 0.0000000 0.0000000 0.2559846), wk = 0.0023810 k( 22) = ( 0.0000000 0.0000000 0.2687838), wk = 0.0023810 k( 23) = ( 0.0000000 0.0000000 0.2815830), wk = 0.0023810 k( 24) = ( 0.0000000 0.0000000 0.2943823), wk = 0.0023810 k( 25) = ( 0.0000000 0.0000000 0.3071815), wk = 0.0023810 k( 26) = ( 0.0000000 0.0000000 0.3199807), wk = 0.0023810 k( 27) = ( 0.0000000 0.0000000 0.3327800), wk = 0.0023810 k( 28) = ( 0.0000000 0.0000000 0.3455792), wk = 0.0023810 k( 29) = ( 0.0000000 0.0000000 0.3583784), wk = 0.0023810 k( 30) = ( 0.0000000 0.0000000 0.3711776), wk = 0.0023810 k( 31) = ( 0.0000000 0.0000000 0.3839769), wk = 0.0023810 k( 32) = ( 0.0000000 0.0000000 0.3967761), wk = 0.0023810 k( 33) = ( 0.0000000 0.0000000 0.4095753), wk = 0.0023810 k( 34) = ( 0.0000000 0.0000000 0.4223746), wk = 0.0023810 k( 35) = ( 0.0000000 0.0000000 0.4351738), wk = 0.0023810 k( 36) = ( 0.0000000 0.0000000 0.4479730), wk = 0.0023810 k( 37) = ( 0.0000000 0.0000000 0.4607722), wk = 0.0023810 k( 38) = ( 0.0000000 0.0000000 0.4735715), wk = 0.0023810 k( 39) = ( 0.0000000 0.0000000 0.4863707), wk = 0.0023810 k( 40) = ( 0.0000000 0.0000000 0.4991699), wk = 0.0023810 k( 41) = ( 0.0000000 0.0000000 0.5119692), wk = 0.0023810 k( 42) = ( 0.0000000 0.0000000 0.5247684), wk = 0.0023810 k( 43) = ( 0.0000000 0.0000000 0.5375676), wk = 0.0023810 k( 44) = ( 0.0000000 0.0000000 0.5503668), wk = 0.0023810 k( 45) = ( 0.0000000 0.0000000 0.5631661), wk = 0.0023810 k( 46) = ( 0.0000000 0.0000000 0.5759653), wk = 0.0023810 k( 47) = ( 0.0000000 0.0000000 0.5887645), wk = 0.0023810 k( 48) = ( 0.0000000 0.0000000 0.6015638), wk = 0.0023810 k( 49) = ( 0.0000000 0.0000000 0.6143630), wk = 0.0023810 k( 50) = ( 0.0000000 0.0000000 0.6271622), wk = 0.0023810 k( 51) = ( 0.0000000 0.0000000 0.6399614), wk = 0.0023810 k( 52) = ( 0.0000000 0.0000000 0.6527607), wk = 0.0023810 k( 53) = ( 0.0000000 0.0000000 0.6655599), wk = 0.0023810 k( 54) = ( 0.0000000 0.0000000 0.6783591), wk = 0.0023810 k( 55) = ( 0.0000000 0.0000000 0.6911584), wk = 0.0023810 k( 56) = ( 0.0000000 0.0000000 0.7039576), wk = 0.0023810 k( 57) = ( 0.0000000 0.0000000 0.7167568), wk = 0.0023810 k( 58) = ( 0.0000000 0.0000000 0.7295561), wk = 0.0023810 k( 59) = ( 0.0000000 0.0000000 0.7295561), wk = 0.0023810 k( 60) = ( -0.0085167 0.0090494 0.7295561), wk = 0.0023810 k( 61) = ( -0.0170333 0.0180987 0.7295561), wk = 0.0023810 k( 62) = ( -0.0255500 0.0271481 0.7295561), wk = 0.0023810 k( 63) = ( -0.0340667 0.0361975 0.7295561), wk = 0.0023810 k( 64) = ( -0.0425833 0.0452468 0.7295561), wk = 0.0023810 k( 65) = ( -0.0511000 0.0542962 0.7295561), wk = 0.0023810 k( 66) = ( -0.0596167 0.0633456 0.7295561), wk = 0.0023810 k( 67) = ( -0.0681333 0.0723949 0.7295561), wk = 0.0023810 k( 68) = ( -0.0766500 0.0814443 0.7295561), wk = 0.0023810 k( 69) = ( -0.0851666 0.0904936 0.7295561), wk = 0.0023810 k( 70) = ( -0.0936833 0.0995430 0.7295561), wk = 0.0023810 k( 71) = ( -0.1022000 0.1085924 0.7295561), wk = 0.0023810 k( 72) = ( -0.1107166 0.1176417 0.7295561), wk = 0.0023810 k( 73) = ( -0.1192333 0.1266911 0.7295561), wk = 0.0023810 k( 74) = ( -0.1277500 0.1357405 0.7295561), wk = 0.0023810 k( 75) = ( -0.1362666 0.1447898 0.7295561), wk = 0.0023810 k( 76) = ( -0.1447833 0.1538392 0.7295561), wk = 0.0023810 k( 77) = ( -0.1533000 0.1628886 0.7295561), wk = 0.0023810 k( 78) = ( -0.1618166 0.1719379 0.7295561), wk = 0.0023810 k( 79) = ( -0.1703333 0.1809873 0.7295561), wk = 0.0023810 k( 80) = ( -0.1788500 0.1900367 0.7295561), wk = 0.0023810 k( 81) = ( -0.1873666 0.1990860 0.7295561), wk = 0.0023810 k( 82) = ( -0.1958833 0.2081354 0.7295561), wk = 0.0023810 k( 83) = ( -0.2044000 0.2171848 0.7295561), wk = 0.0023810 k( 84) = ( -0.2129166 0.2262341 0.7295561), wk = 0.0023810 k( 85) = ( -0.2214333 0.2352835 0.7295561), wk = 0.0023810 k( 86) = ( -0.2214333 0.2352835 0.7295561), wk = 0.0023810 k( 87) = ( -0.2274891 0.2417181 0.7207200), wk = 0.0023810 k( 88) = ( -0.2335449 0.2481527 0.7118839), wk = 0.0023810 k( 89) = ( -0.2396007 0.2545872 0.7030478), wk = 0.0023810 k( 90) = ( -0.2456565 0.2610218 0.6942117), wk = 0.0023810 k( 91) = ( -0.2517123 0.2674564 0.6853756), wk = 0.0023810 k( 92) = ( -0.2577681 0.2738910 0.6765395), wk = 0.0023810 k( 93) = ( -0.2638239 0.2803255 0.6677034), wk = 0.0023810 k( 94) = ( -0.2698797 0.2867601 0.6588674), wk = 0.0023810 k( 95) = ( -0.2759355 0.2931947 0.6500313), wk = 0.0023810 k( 96) = ( -0.2819913 0.2996293 0.6411952), wk = 0.0023810 k( 97) = ( -0.2880471 0.3060638 0.6323591), wk = 0.0023810 k( 98) = ( -0.2941029 0.3124984 0.6235230), wk = 0.0023810 k( 99) = ( -0.3001587 0.3189330 0.6146869), wk = 0.0023810 k( 100) = ( -0.3062145 0.3253676 0.6058508), wk = 0.0023810 k( 101) = ( -0.3122703 0.3318021 0.5970147), wk = 0.0023810 k( 102) = ( -0.3183261 0.3382367 0.5881787), wk = 0.0023810 k( 103) = ( -0.3243819 0.3446713 0.5793426), wk = 0.0023810 k( 104) = ( -0.3304377 0.3511059 0.5705065), wk = 0.0023810 k( 105) = ( -0.3364935 0.3575404 0.5616704), wk = 0.0023810 k( 106) = ( -0.3425493 0.3639750 0.5528343), wk = 0.0023810 k( 107) = ( -0.3486051 0.3704096 0.5439982), wk = 0.0023810 k( 108) = ( -0.3546609 0.3768442 0.5351621), wk = 0.0023810 k( 109) = ( -0.3607167 0.3832787 0.5263260), wk = 0.0023810 k( 110) = ( -0.3607167 0.3832787 0.5263260), wk = 0.0023810 k( 111) = ( -0.3544974 0.3766705 0.5172514), wk = 0.0023810 k( 112) = ( -0.3482782 0.3700622 0.5081769), wk = 0.0023810 k( 113) = ( -0.3420589 0.3634540 0.4991023), wk = 0.0023810 k( 114) = ( -0.3358396 0.3568457 0.4900277), wk = 0.0023810 k( 115) = ( -0.3296204 0.3502375 0.4809531), wk = 0.0023810 k( 116) = ( -0.3234011 0.3436292 0.4718785), wk = 0.0023810 k( 117) = ( -0.3171819 0.3370210 0.4628039), wk = 0.0023810 k( 118) = ( -0.3109626 0.3304127 0.4537293), wk = 0.0023810 k( 119) = ( -0.3047434 0.3238045 0.4446548), wk = 0.0023810 k( 120) = ( -0.2985241 0.3171962 0.4355802), wk = 0.0023810 k( 121) = ( -0.2923049 0.3105879 0.4265056), wk = 0.0023810 k( 122) = ( -0.2860856 0.3039797 0.4174310), wk = 0.0023810 k( 123) = ( -0.2798664 0.2973714 0.4083564), wk = 0.0023810 k( 124) = ( -0.2736471 0.2907632 0.3992818), wk = 0.0023810 k( 125) = ( -0.2674279 0.2841549 0.3902072), wk = 0.0023810 k( 126) = ( -0.2612086 0.2775467 0.3811326), wk = 0.0023810 k( 127) = ( -0.2549894 0.2709384 0.3720581), wk = 0.0023810 k( 128) = ( -0.2487701 0.2643302 0.3629835), wk = 0.0023810 k( 129) = ( -0.2425509 0.2577219 0.3539089), wk = 0.0023810 k( 130) = ( -0.2363316 0.2511137 0.3448343), wk = 0.0023810 k( 131) = ( -0.2301123 0.2445054 0.3357597), wk = 0.0023810 k( 132) = ( -0.2238931 0.2378971 0.3266851), wk = 0.0023810 k( 133) = ( -0.2176738 0.2312889 0.3176105), wk = 0.0023810 k( 134) = ( -0.2114546 0.2246806 0.3085360), wk = 0.0023810 k( 135) = ( -0.2052353 0.2180724 0.2994614), wk = 0.0023810 k( 136) = ( -0.1990161 0.2114641 0.2903868), wk = 0.0023810 k( 137) = ( -0.1927968 0.2048559 0.2813122), wk = 0.0023810 k( 138) = ( -0.1865776 0.1982476 0.2722376), wk = 0.0023810 k( 139) = ( -0.1803583 0.1916394 0.2631630), wk = 0.0023810 k( 140) = ( -0.1741391 0.1850311 0.2540884), wk = 0.0023810 k( 141) = ( -0.1679198 0.1784229 0.2450138), wk = 0.0023810 k( 142) = ( -0.1617006 0.1718146 0.2359393), wk = 0.0023810 k( 143) = ( -0.1554813 0.1652063 0.2268647), wk = 0.0023810 k( 144) = ( -0.1492621 0.1585981 0.2177901), wk = 0.0023810 k( 145) = ( -0.1430428 0.1519898 0.2087155), wk = 0.0023810 k( 146) = ( -0.1368236 0.1453816 0.1996409), wk = 0.0023810 k( 147) = ( -0.1306043 0.1387733 0.1905663), wk = 0.0023810 k( 148) = ( -0.1243850 0.1321651 0.1814917), wk = 0.0023810 k( 149) = ( -0.1181658 0.1255568 0.1724171), wk = 0.0023810 k( 150) = ( -0.1119466 0.1189486 0.1633426), wk = 0.0023810 k( 151) = ( -0.1057273 0.1123403 0.1542680), wk = 0.0023810 k( 152) = ( -0.0995080 0.1057321 0.1451934), wk = 0.0023810 k( 153) = ( -0.0932888 0.0991238 0.1361188), wk = 0.0023810 k( 154) = ( -0.0870695 0.0925156 0.1270442), wk = 0.0023810 k( 155) = ( -0.0808503 0.0859073 0.1179696), wk = 0.0023810 k( 156) = ( -0.0746310 0.0792990 0.1088950), wk = 0.0023810 k( 157) = ( -0.0684118 0.0726908 0.0998205), wk = 0.0023810 k( 158) = ( -0.0621925 0.0660825 0.0907459), wk = 0.0023810 k( 159) = ( -0.0559733 0.0594743 0.0816713), wk = 0.0023810 k( 160) = ( -0.0497540 0.0528660 0.0725967), wk = 0.0023810 k( 161) = ( -0.0435348 0.0462578 0.0635221), wk = 0.0023810 k( 162) = ( -0.0373155 0.0396495 0.0544475), wk = 0.0023810 k( 163) = ( -0.0310963 0.0330413 0.0453729), wk = 0.0023810 k( 164) = ( -0.0248770 0.0264330 0.0362983), wk = 0.0023810 k( 165) = ( -0.0186578 0.0198248 0.0272238), wk = 0.0023810 k( 166) = ( -0.0124385 0.0132165 0.0181492), wk = 0.0023810 k( 167) = ( -0.0062192 0.0066083 0.0090746), wk = 0.0023810 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 170) = ( 0.0092593 0.0087142 -0.0000000), wk = 0.0023810 k( 171) = ( 0.0185185 0.0174284 -0.0000000), wk = 0.0023810 k( 172) = ( 0.0277778 0.0261426 -0.0000000), wk = 0.0023810 k( 173) = ( 0.0370370 0.0348568 -0.0000000), wk = 0.0023810 k( 174) = ( 0.0462963 0.0435710 -0.0000000), wk = 0.0023810 k( 175) = ( 0.0555556 0.0522852 -0.0000000), wk = 0.0023810 k( 176) = ( 0.0648148 0.0609994 0.0000000), wk = 0.0023810 k( 177) = ( 0.0740741 0.0697136 -0.0000000), wk = 0.0023810 k( 178) = ( 0.0833333 0.0784278 -0.0000000), wk = 0.0023810 k( 179) = ( 0.0925926 0.0871420 -0.0000000), wk = 0.0023810 k( 180) = ( 0.1018518 0.0958562 0.0000000), wk = 0.0023810 k( 181) = ( 0.1111111 0.1045704 -0.0000000), wk = 0.0023810 k( 182) = ( 0.1203704 0.1132846 -0.0000000), wk = 0.0023810 k( 183) = ( 0.1296296 0.1219989 0.0000000), wk = 0.0023810 k( 184) = ( 0.1388889 0.1307131 -0.0000000), wk = 0.0023810 k( 185) = ( 0.1481482 0.1394273 -0.0000000), wk = 0.0023810 k( 186) = ( 0.1574074 0.1481415 0.0000000), wk = 0.0023810 k( 187) = ( 0.1666667 0.1568557 -0.0000000), wk = 0.0023810 k( 188) = ( 0.1759259 0.1655699 -0.0000000), wk = 0.0023810 k( 189) = ( 0.1851852 0.1742841 0.0000000), wk = 0.0023810 k( 190) = ( 0.1944444 0.1829983 -0.0000000), wk = 0.0023810 k( 191) = ( 0.2037037 0.1917125 0.0000000), wk = 0.0023810 k( 192) = ( 0.2129630 0.2004267 -0.0000000), wk = 0.0023810 k( 193) = ( 0.2222222 0.2091409 -0.0000000), wk = 0.0023810 k( 194) = ( 0.2314815 0.2178551 0.0000000), wk = 0.0023810 k( 195) = ( 0.2407407 0.2265693 -0.0000000), wk = 0.0023810 k( 196) = ( 0.2500000 0.2352835 0.0000000), wk = 0.0023810 k( 197) = ( 0.2592593 0.2439977 0.0000000), wk = 0.0023810 k( 198) = ( 0.2685185 0.2527119 -0.0000000), wk = 0.0023810 k( 199) = ( 0.2777778 0.2614261 -0.0000000), wk = 0.0023810 k( 200) = ( 0.2870370 0.2701403 -0.0000000), wk = 0.0023810 k( 201) = ( 0.2962963 0.2788545 -0.0000000), wk = 0.0023810 k( 202) = ( 0.3055556 0.2875687 0.0000000), wk = 0.0023810 k( 203) = ( 0.3148148 0.2962829 -0.0000000), wk = 0.0023810 k( 204) = ( 0.3240741 0.3049971 0.0000000), wk = 0.0023810 k( 205) = ( 0.3333333 0.3137113 0.0000000), wk = 0.0023810 k( 206) = ( 0.3425926 0.3224255 -0.0000000), wk = 0.0023810 k( 207) = ( 0.3518519 0.3311397 -0.0000000), wk = 0.0023810 k( 208) = ( 0.3611111 0.3398539 -0.0000000), wk = 0.0023810 k( 209) = ( 0.3703704 0.3485681 -0.0000000), wk = 0.0023810 k( 210) = ( 0.3796296 0.3572824 0.0000000), wk = 0.0023810 k( 211) = ( 0.3888889 0.3659966 0.0000000), wk = 0.0023810 k( 212) = ( 0.3981481 0.3747108 0.0000000), wk = 0.0023810 k( 213) = ( 0.4074074 0.3834250 -0.0000000), wk = 0.0023810 k( 214) = ( 0.4166667 0.3921392 -0.0000000), wk = 0.0023810 k( 215) = ( 0.4259259 0.4008534 -0.0000000), wk = 0.0023810 k( 216) = ( 0.4351852 0.4095676 0.0000000), wk = 0.0023810 k( 217) = ( 0.4444444 0.4182818 -0.0000000), wk = 0.0023810 k( 218) = ( 0.4537037 0.4269960 0.0000000), wk = 0.0023810 k( 219) = ( 0.4629630 0.4357102 0.0000000), wk = 0.0023810 k( 220) = ( 0.4722222 0.4444244 -0.0000000), wk = 0.0023810 k( 221) = ( 0.4814815 0.4531386 -0.0000000), wk = 0.0023810 k( 222) = ( 0.4907407 0.4618528 -0.0000000), wk = 0.0023810 k( 223) = ( 0.5000000 0.4705670 0.0000000), wk = 0.0023810 k( 224) = ( 0.5000000 0.4705670 0.0000000), wk = 0.0023810 k( 225) = ( 0.4939442 0.4770016 0.0088361), wk = 0.0023810 k( 226) = ( 0.4878884 0.4834362 0.0176722), wk = 0.0023810 k( 227) = ( 0.4818326 0.4898707 0.0265083), wk = 0.0023810 k( 228) = ( 0.4757768 0.4963053 0.0353443), wk = 0.0023810 k( 229) = ( 0.4697210 0.5027399 0.0441804), wk = 0.0023810 k( 230) = ( 0.4636652 0.5091745 0.0530165), wk = 0.0023810 k( 231) = ( 0.4576094 0.5156090 0.0618526), wk = 0.0023810 k( 232) = ( 0.4515536 0.5220436 0.0706887), wk = 0.0023810 k( 233) = ( 0.4454978 0.5284782 0.0795248), wk = 0.0023810 k( 234) = ( 0.4394420 0.5349128 0.0883609), wk = 0.0023810 k( 235) = ( 0.4333862 0.5413473 0.0971970), wk = 0.0023810 k( 236) = ( 0.4273304 0.5477819 0.1060330), wk = 0.0023810 k( 237) = ( 0.4212746 0.5542165 0.1148691), wk = 0.0023810 k( 238) = ( 0.4152188 0.5606511 0.1237052), wk = 0.0023810 k( 239) = ( 0.4091630 0.5670856 0.1325413), wk = 0.0023810 k( 240) = ( 0.4031072 0.5735202 0.1413774), wk = 0.0023810 k( 241) = ( 0.3970514 0.5799548 0.1502135), wk = 0.0023810 k( 242) = ( 0.3909956 0.5863894 0.1590496), wk = 0.0023810 k( 243) = ( 0.3849398 0.5928239 0.1678857), wk = 0.0023810 k( 244) = ( 0.3788840 0.5992585 0.1767218), wk = 0.0023810 k( 245) = ( 0.3728283 0.6056931 0.1855578), wk = 0.0023810 k( 246) = ( 0.3667725 0.6121277 0.1943939), wk = 0.0023810 k( 247) = ( 0.3607167 0.6185622 0.2032300), wk = 0.0023810 k( 248) = ( 0.3607167 0.6185622 0.2032300), wk = 0.0023810 k( 249) = ( 0.3494443 0.6148859 0.2082784), wk = 0.0023810 k( 250) = ( 0.3381719 0.6112096 0.2133268), wk = 0.0023810 k( 251) = ( 0.3268995 0.6075333 0.2183752), wk = 0.0023810 k( 252) = ( 0.3156271 0.6038570 0.2234235), wk = 0.0023810 k( 253) = ( 0.3043547 0.6001807 0.2284719), wk = 0.0023810 k( 254) = ( 0.2930823 0.5965044 0.2335203), wk = 0.0023810 k( 255) = ( 0.2818099 0.5928281 0.2385687), wk = 0.0023810 k( 256) = ( 0.2705375 0.5891518 0.2436170), wk = 0.0023810 k( 257) = ( 0.2592651 0.5854755 0.2486654), wk = 0.0023810 k( 258) = ( 0.2479927 0.5817992 0.2537138), wk = 0.0023810 k( 259) = ( 0.2367203 0.5781229 0.2587622), wk = 0.0023810 k( 260) = ( 0.2254479 0.5744466 0.2638105), wk = 0.0023810 k( 261) = ( 0.2141755 0.5707703 0.2688589), wk = 0.0023810 k( 262) = ( 0.2029031 0.5670940 0.2739073), wk = 0.0023810 k( 263) = ( 0.1916307 0.5634177 0.2789556), wk = 0.0023810 k( 264) = ( 0.1803583 0.5597414 0.2840040), wk = 0.0023810 k( 265) = ( 0.1690859 0.5560651 0.2890524), wk = 0.0023810 k( 266) = ( 0.1578135 0.5523888 0.2941008), wk = 0.0023810 k( 267) = ( 0.1465411 0.5487124 0.2991491), wk = 0.0023810 k( 268) = ( 0.1352687 0.5450361 0.3041975), wk = 0.0023810 k( 269) = ( 0.1239964 0.5413598 0.3092459), wk = 0.0023810 k( 270) = ( 0.1127240 0.5376835 0.3142943), wk = 0.0023810 k( 271) = ( 0.1014516 0.5340072 0.3193426), wk = 0.0023810 k( 272) = ( 0.0901792 0.5303309 0.3243910), wk = 0.0023810 k( 273) = ( 0.0789068 0.5266546 0.3294394), wk = 0.0023810 k( 274) = ( 0.0676344 0.5229783 0.3344878), wk = 0.0023810 k( 275) = ( 0.0563620 0.5193020 0.3395361), wk = 0.0023810 k( 276) = ( 0.0450896 0.5156257 0.3445845), wk = 0.0023810 k( 277) = ( 0.0338172 0.5119494 0.3496329), wk = 0.0023810 k( 278) = ( 0.0225448 0.5082731 0.3546813), wk = 0.0023810 k( 279) = ( 0.0112724 0.5045968 0.3597296), wk = 0.0023810 k( 280) = ( 0.0000000 0.5009205 0.3647780), wk = 0.0023810 k( 281) = ( 0.0000000 0.5009205 0.3647780), wk = 0.0023810 k( 282) = ( 0.0062500 0.4942796 0.3738975), wk = 0.0023810 k( 283) = ( 0.0125000 0.4876386 0.3830169), wk = 0.0023810 k( 284) = ( 0.0187500 0.4809977 0.3921364), wk = 0.0023810 k( 285) = ( 0.0250000 0.4743568 0.4012558), wk = 0.0023810 k( 286) = ( 0.0312500 0.4677159 0.4103753), wk = 0.0023810 k( 287) = ( 0.0375000 0.4610749 0.4194947), wk = 0.0023810 k( 288) = ( 0.0437500 0.4544340 0.4286142), wk = 0.0023810 k( 289) = ( 0.0500000 0.4477931 0.4377336), wk = 0.0023810 k( 290) = ( 0.0562500 0.4411522 0.4468531), wk = 0.0023810 k( 291) = ( 0.0625000 0.4345112 0.4559725), wk = 0.0023810 k( 292) = ( 0.0687500 0.4278703 0.4650920), wk = 0.0023810 k( 293) = ( 0.0750000 0.4212294 0.4742114), wk = 0.0023810 k( 294) = ( 0.0812500 0.4145885 0.4833309), wk = 0.0023810 k( 295) = ( 0.0875000 0.4079475 0.4924503), wk = 0.0023810 k( 296) = ( 0.0937500 0.4013066 0.5015698), wk = 0.0023810 k( 297) = ( 0.1000000 0.3946657 0.5106892), wk = 0.0023810 k( 298) = ( 0.1062500 0.3880248 0.5198087), wk = 0.0023810 k( 299) = ( 0.1125000 0.3813838 0.5289281), wk = 0.0023810 k( 300) = ( 0.1187500 0.3747429 0.5380476), wk = 0.0023810 k( 301) = ( 0.1250000 0.3681020 0.5471670), wk = 0.0023810 k( 302) = ( 0.1312500 0.3614611 0.5562865), wk = 0.0023810 k( 303) = ( 0.1375000 0.3548201 0.5654059), wk = 0.0023810 k( 304) = ( 0.1437500 0.3481792 0.5745254), wk = 0.0023810 k( 305) = ( 0.1500000 0.3415383 0.5836448), wk = 0.0023810 k( 306) = ( 0.1562500 0.3348974 0.5927643), wk = 0.0023810 k( 307) = ( 0.1625000 0.3282564 0.6018837), wk = 0.0023810 k( 308) = ( 0.1687500 0.3216155 0.6110032), wk = 0.0023810 k( 309) = ( 0.1750000 0.3149746 0.6201226), wk = 0.0023810 k( 310) = ( 0.1812500 0.3083337 0.6292421), wk = 0.0023810 k( 311) = ( 0.1875000 0.3016927 0.6383615), wk = 0.0023810 k( 312) = ( 0.1937500 0.2950518 0.6474810), wk = 0.0023810 k( 313) = ( 0.2000000 0.2884109 0.6566004), wk = 0.0023810 k( 314) = ( 0.2062500 0.2817700 0.6657199), wk = 0.0023810 k( 315) = ( 0.2125000 0.2751290 0.6748393), wk = 0.0023810 k( 316) = ( 0.2187500 0.2684881 0.6839588), wk = 0.0023810 k( 317) = ( 0.2250000 0.2618472 0.6930783), wk = 0.0023810 k( 318) = ( 0.2312500 0.2552063 0.7021977), wk = 0.0023810 k( 319) = ( 0.2375000 0.2485653 0.7113172), wk = 0.0023810 k( 320) = ( 0.2437500 0.2419244 0.7204366), wk = 0.0023810 k( 321) = ( 0.2500000 0.2352835 0.7295561), wk = 0.0023810 k( 322) = ( 0.2500000 0.2352835 0.7295561), wk = 0.0023810 k( 323) = ( 0.2567568 0.2416425 0.7208237), wk = 0.0023810 k( 324) = ( 0.2635135 0.2480015 0.7120914), wk = 0.0023810 k( 325) = ( 0.2702703 0.2543605 0.7033591), wk = 0.0023810 k( 326) = ( 0.2770270 0.2607196 0.6946268), wk = 0.0023810 k( 327) = ( 0.2837838 0.2670786 0.6858944), wk = 0.0023810 k( 328) = ( 0.2905405 0.2734376 0.6771621), wk = 0.0023810 k( 329) = ( 0.2972973 0.2797966 0.6684298), wk = 0.0023810 k( 330) = ( 0.3040541 0.2861556 0.6596975), wk = 0.0023810 k( 331) = ( 0.3108108 0.2925146 0.6509651), wk = 0.0023810 k( 332) = ( 0.3175676 0.2988736 0.6422328), wk = 0.0023810 k( 333) = ( 0.3243243 0.3052326 0.6335005), wk = 0.0023810 k( 334) = ( 0.3310811 0.3115917 0.6247682), wk = 0.0023810 k( 335) = ( 0.3378378 0.3179507 0.6160358), wk = 0.0023810 k( 336) = ( 0.3445946 0.3243097 0.6073035), wk = 0.0023810 k( 337) = ( 0.3513514 0.3306687 0.5985712), wk = 0.0023810 k( 338) = ( 0.3581081 0.3370277 0.5898389), wk = 0.0023810 k( 339) = ( 0.3648649 0.3433867 0.5811065), wk = 0.0023810 k( 340) = ( 0.3716216 0.3497457 0.5723742), wk = 0.0023810 k( 341) = ( 0.3783784 0.3561048 0.5636419), wk = 0.0023810 k( 342) = ( 0.3851351 0.3624638 0.5549096), wk = 0.0023810 k( 343) = ( 0.3918919 0.3688228 0.5461772), wk = 0.0023810 k( 344) = ( 0.3986486 0.3751818 0.5374449), wk = 0.0023810 k( 345) = ( 0.4054054 0.3815408 0.5287126), wk = 0.0023810 k( 346) = ( 0.4121622 0.3878998 0.5199803), wk = 0.0023810 k( 347) = ( 0.4189189 0.3942588 0.5112479), wk = 0.0023810 k( 348) = ( 0.4256757 0.4006179 0.5025156), wk = 0.0023810 k( 349) = ( 0.4324324 0.4069769 0.4937833), wk = 0.0023810 k( 350) = ( 0.4391892 0.4133359 0.4850510), wk = 0.0023810 k( 351) = ( 0.4459459 0.4196949 0.4763186), wk = 0.0023810 k( 352) = ( 0.4527027 0.4260539 0.4675863), wk = 0.0023810 k( 353) = ( 0.4594595 0.4324129 0.4588540), wk = 0.0023810 k( 354) = ( 0.4662162 0.4387719 0.4501217), wk = 0.0023810 k( 355) = ( 0.4729730 0.4451309 0.4413893), wk = 0.0023810 k( 356) = ( 0.4797297 0.4514900 0.4326570), wk = 0.0023810 k( 357) = ( 0.4864865 0.4578490 0.4239247), wk = 0.0023810 k( 358) = ( 0.4932432 0.4642080 0.4151924), wk = 0.0023810 k( 359) = ( 0.5000000 0.4705670 0.4064600), wk = 0.0023810 k( 360) = ( 0.5000000 0.4705670 0.4064600), wk = 0.0023810 k( 361) = ( 0.5000000 0.4705670 0.3937582), wk = 0.0023810 k( 362) = ( 0.5000000 0.4705670 0.3810563), wk = 0.0023810 k( 363) = ( 0.5000000 0.4705670 0.3683544), wk = 0.0023810 k( 364) = ( 0.5000000 0.4705670 0.3556525), wk = 0.0023810 k( 365) = ( 0.5000000 0.4705670 0.3429507), wk = 0.0023810 k( 366) = ( 0.5000000 0.4705670 0.3302488), wk = 0.0023810 k( 367) = ( 0.5000000 0.4705670 0.3175469), wk = 0.0023810 k( 368) = ( 0.5000000 0.4705670 0.3048450), wk = 0.0023810 k( 369) = ( 0.5000000 0.4705670 0.2921431), wk = 0.0023810 k( 370) = ( 0.5000000 0.4705670 0.2794413), wk = 0.0023810 k( 371) = ( 0.5000000 0.4705670 0.2667394), wk = 0.0023810 k( 372) = ( 0.5000000 0.4705670 0.2540375), wk = 0.0023810 k( 373) = ( 0.5000000 0.4705670 0.2413357), wk = 0.0023810 k( 374) = ( 0.5000000 0.4705670 0.2286338), wk = 0.0023810 k( 375) = ( 0.5000000 0.4705670 0.2159319), wk = 0.0023810 k( 376) = ( 0.5000000 0.4705670 0.2032300), wk = 0.0023810 k( 377) = ( 0.5000000 0.4705670 0.1905281), wk = 0.0023810 k( 378) = ( 0.5000000 0.4705670 0.1778263), wk = 0.0023810 k( 379) = ( 0.5000000 0.4705670 0.1651244), wk = 0.0023810 k( 380) = ( 0.5000000 0.4705670 0.1524225), wk = 0.0023810 k( 381) = ( 0.5000000 0.4705670 0.1397206), wk = 0.0023810 k( 382) = ( 0.5000000 0.4705670 0.1270188), wk = 0.0023810 k( 383) = ( 0.5000000 0.4705670 0.1143169), wk = 0.0023810 k( 384) = ( 0.5000000 0.4705670 0.1016150), wk = 0.0023810 k( 385) = ( 0.5000000 0.4705670 0.0889131), wk = 0.0023810 k( 386) = ( 0.5000000 0.4705670 0.0762113), wk = 0.0023810 k( 387) = ( 0.5000000 0.4705670 0.0635094), wk = 0.0023810 k( 388) = ( 0.5000000 0.4705670 0.0508075), wk = 0.0023810 k( 389) = ( 0.5000000 0.4705670 0.0381056), wk = 0.0023810 k( 390) = ( 0.5000000 0.4705670 0.0254038), wk = 0.0023810 k( 391) = ( 0.5000000 0.4705670 0.0127019), wk = 0.0023810 k( 392) = ( 0.5000000 0.4705670 0.0000000), wk = 0.0023810 k( 393) = ( 0.0000000 0.0000000 0.7295561), wk = 0.0023810 k( 394) = ( 0.0092593 0.0087142 0.7295561), wk = 0.0023810 k( 395) = ( 0.0185185 0.0174284 0.7295561), wk = 0.0023810 k( 396) = ( 0.0277778 0.0261426 0.7295561), wk = 0.0023810 k( 397) = ( 0.0370370 0.0348568 0.7295561), wk = 0.0023810 k( 398) = ( 0.0462963 0.0435710 0.7295561), wk = 0.0023810 k( 399) = ( 0.0555556 0.0522852 0.7295561), wk = 0.0023810 k( 400) = ( 0.0648148 0.0609994 0.7295561), wk = 0.0023810 k( 401) = ( 0.0740741 0.0697136 0.7295561), wk = 0.0023810 k( 402) = ( 0.0833333 0.0784278 0.7295561), wk = 0.0023810 k( 403) = ( 0.0925926 0.0871420 0.7295561), wk = 0.0023810 k( 404) = ( 0.1018518 0.0958562 0.7295561), wk = 0.0023810 k( 405) = ( 0.1111111 0.1045704 0.7295561), wk = 0.0023810 k( 406) = ( 0.1203704 0.1132846 0.7295561), wk = 0.0023810 k( 407) = ( 0.1296296 0.1219989 0.7295561), wk = 0.0023810 k( 408) = ( 0.1388889 0.1307131 0.7295561), wk = 0.0023810 k( 409) = ( 0.1481482 0.1394273 0.7295561), wk = 0.0023810 k( 410) = ( 0.1574074 0.1481415 0.7295561), wk = 0.0023810 k( 411) = ( 0.1666667 0.1568557 0.7295561), wk = 0.0023810 k( 412) = ( 0.1759259 0.1655699 0.7295561), wk = 0.0023810 k( 413) = ( 0.1851852 0.1742841 0.7295561), wk = 0.0023810 k( 414) = ( 0.1944444 0.1829983 0.7295561), wk = 0.0023810 k( 415) = ( 0.2037037 0.1917125 0.7295561), wk = 0.0023810 k( 416) = ( 0.2129630 0.2004267 0.7295561), wk = 0.0023810 k( 417) = ( 0.2222222 0.2091409 0.7295561), wk = 0.0023810 k( 418) = ( 0.2314815 0.2178551 0.7295561), wk = 0.0023810 k( 419) = ( 0.2407407 0.2265693 0.7295561), wk = 0.0023810 k( 420) = ( 0.2500000 0.2352835 0.7295561), wk = 0.0023810 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 2) = ( 0.0000000 0.0000000 0.0087719), wk = 0.0023810 k( 3) = ( 0.0000000 0.0000000 0.0175439), wk = 0.0023810 k( 4) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0023810 k( 5) = ( 0.0000000 0.0000000 0.0350877), wk = 0.0023810 k( 6) = ( 0.0000000 0.0000000 0.0438597), wk = 0.0023810 k( 7) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0023810 k( 8) = ( 0.0000000 0.0000000 0.0614035), wk = 0.0023810 k( 9) = ( 0.0000000 0.0000000 0.0701754), wk = 0.0023810 k( 10) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0023810 k( 11) = ( 0.0000000 0.0000000 0.0877193), wk = 0.0023810 k( 12) = ( 0.0000000 0.0000000 0.0964912), wk = 0.0023810 k( 13) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0023810 k( 14) = ( 0.0000000 0.0000000 0.1140351), wk = 0.0023810 k( 15) = ( 0.0000000 0.0000000 0.1228070), wk = 0.0023810 k( 16) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0023810 k( 17) = ( 0.0000000 0.0000000 0.1403509), wk = 0.0023810 k( 18) = ( 0.0000000 0.0000000 0.1491228), wk = 0.0023810 k( 19) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0023810 k( 20) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0023810 k( 21) = ( 0.0000000 0.0000000 0.1754386), wk = 0.0023810 k( 22) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0023810 k( 23) = ( 0.0000000 0.0000000 0.1929825), wk = 0.0023810 k( 24) = ( 0.0000000 0.0000000 0.2017544), wk = 0.0023810 k( 25) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0023810 k( 26) = ( 0.0000000 0.0000000 0.2192983), wk = 0.0023810 k( 27) = ( 0.0000000 0.0000000 0.2280702), wk = 0.0023810 k( 28) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0023810 k( 29) = ( 0.0000000 0.0000000 0.2456140), wk = 0.0023810 k( 30) = ( 0.0000000 0.0000000 0.2543860), wk = 0.0023810 k( 31) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0023810 k( 32) = ( 0.0000000 0.0000000 0.2719298), wk = 0.0023810 k( 33) = ( 0.0000000 0.0000000 0.2807018), wk = 0.0023810 k( 34) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0023810 k( 35) = ( 0.0000000 0.0000000 0.2982456), wk = 0.0023810 k( 36) = ( 0.0000000 0.0000000 0.3070175), wk = 0.0023810 k( 37) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0023810 k( 38) = ( 0.0000000 0.0000000 0.3245614), wk = 0.0023810 k( 39) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0023810 k( 40) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0023810 k( 41) = ( 0.0000000 0.0000000 0.3508772), wk = 0.0023810 k( 42) = ( 0.0000000 0.0000000 0.3596491), wk = 0.0023810 k( 43) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0023810 k( 44) = ( 0.0000000 0.0000000 0.3771930), wk = 0.0023810 k( 45) = ( 0.0000000 0.0000000 0.3859649), wk = 0.0023810 k( 46) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0023810 k( 47) = ( 0.0000000 0.0000000 0.4035088), wk = 0.0023810 k( 48) = ( 0.0000000 0.0000000 0.4122807), wk = 0.0023810 k( 49) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0023810 k( 50) = ( 0.0000000 0.0000000 0.4298246), wk = 0.0023810 k( 51) = ( 0.0000000 0.0000000 0.4385965), wk = 0.0023810 k( 52) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0023810 k( 53) = ( 0.0000000 0.0000000 0.4561404), wk = 0.0023810 k( 54) = ( 0.0000000 0.0000000 0.4649123), wk = 0.0023810 k( 55) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0023810 k( 56) = ( 0.0000000 0.0000000 0.4824561), wk = 0.0023810 k( 57) = ( 0.0000000 0.0000000 0.4912281), wk = 0.0023810 k( 58) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023810 k( 59) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023810 k( 60) = ( -0.0085167 0.0085167 0.5000000), wk = 0.0023810 k( 61) = ( -0.0170333 0.0170333 0.5000000), wk = 0.0023810 k( 62) = ( -0.0255500 0.0255500 0.5000000), wk = 0.0023810 k( 63) = ( -0.0340667 0.0340667 0.5000000), wk = 0.0023810 k( 64) = ( -0.0425833 0.0425833 0.5000000), wk = 0.0023810 k( 65) = ( -0.0511000 0.0511000 0.5000000), wk = 0.0023810 k( 66) = ( -0.0596167 0.0596167 0.5000000), wk = 0.0023810 k( 67) = ( -0.0681333 0.0681333 0.5000000), wk = 0.0023810 k( 68) = ( -0.0766500 0.0766500 0.5000000), wk = 0.0023810 k( 69) = ( -0.0851666 0.0851666 0.5000000), wk = 0.0023810 k( 70) = ( -0.0936833 0.0936833 0.5000000), wk = 0.0023810 k( 71) = ( -0.1022000 0.1022000 0.5000000), wk = 0.0023810 k( 72) = ( -0.1107166 0.1107166 0.5000000), wk = 0.0023810 k( 73) = ( -0.1192333 0.1192333 0.5000000), wk = 0.0023810 k( 74) = ( -0.1277500 0.1277500 0.5000000), wk = 0.0023810 k( 75) = ( -0.1362666 0.1362666 0.5000000), wk = 0.0023810 k( 76) = ( -0.1447833 0.1447833 0.5000000), wk = 0.0023810 k( 77) = ( -0.1533000 0.1533000 0.5000000), wk = 0.0023810 k( 78) = ( -0.1618166 0.1618166 0.5000000), wk = 0.0023810 k( 79) = ( -0.1703333 0.1703333 0.5000000), wk = 0.0023810 k( 80) = ( -0.1788500 0.1788500 0.5000000), wk = 0.0023810 k( 81) = ( -0.1873666 0.1873666 0.5000000), wk = 0.0023810 k( 82) = ( -0.1958833 0.1958833 0.5000000), wk = 0.0023810 k( 83) = ( -0.2044000 0.2044000 0.5000000), wk = 0.0023810 k( 84) = ( -0.2129166 0.2129166 0.5000000), wk = 0.0023810 k( 85) = ( -0.2214333 0.2214333 0.5000000), wk = 0.0023810 k( 86) = ( -0.2214333 0.2214333 0.5000000), wk = 0.0023810 k( 87) = ( -0.2274891 0.2274891 0.4939442), wk = 0.0023810 k( 88) = ( -0.2335449 0.2335449 0.4878884), wk = 0.0023810 k( 89) = ( -0.2396007 0.2396007 0.4818326), wk = 0.0023810 k( 90) = ( -0.2456565 0.2456565 0.4757768), wk = 0.0023810 k( 91) = ( -0.2517123 0.2517123 0.4697210), wk = 0.0023810 k( 92) = ( -0.2577681 0.2577681 0.4636652), wk = 0.0023810 k( 93) = ( -0.2638239 0.2638239 0.4576094), wk = 0.0023810 k( 94) = ( -0.2698797 0.2698797 0.4515536), wk = 0.0023810 k( 95) = ( -0.2759355 0.2759355 0.4454978), wk = 0.0023810 k( 96) = ( -0.2819913 0.2819913 0.4394420), wk = 0.0023810 k( 97) = ( -0.2880471 0.2880471 0.4333862), wk = 0.0023810 k( 98) = ( -0.2941029 0.2941029 0.4273304), wk = 0.0023810 k( 99) = ( -0.3001587 0.3001587 0.4212746), wk = 0.0023810 k( 100) = ( -0.3062145 0.3062145 0.4152188), wk = 0.0023810 k( 101) = ( -0.3122703 0.3122703 0.4091630), wk = 0.0023810 k( 102) = ( -0.3183261 0.3183261 0.4031072), wk = 0.0023810 k( 103) = ( -0.3243819 0.3243819 0.3970514), wk = 0.0023810 k( 104) = ( -0.3304377 0.3304377 0.3909956), wk = 0.0023810 k( 105) = ( -0.3364935 0.3364935 0.3849398), wk = 0.0023810 k( 106) = ( -0.3425493 0.3425493 0.3788840), wk = 0.0023810 k( 107) = ( -0.3486051 0.3486051 0.3728283), wk = 0.0023810 k( 108) = ( -0.3546609 0.3546609 0.3667724), wk = 0.0023810 k( 109) = ( -0.3607167 0.3607167 0.3607167), wk = 0.0023810 k( 110) = ( -0.3607167 0.3607167 0.3607167), wk = 0.0023810 k( 111) = ( -0.3544974 0.3544974 0.3544974), wk = 0.0023810 k( 112) = ( -0.3482782 0.3482781 0.3482782), wk = 0.0023810 k( 113) = ( -0.3420589 0.3420589 0.3420589), wk = 0.0023810 k( 114) = ( -0.3358396 0.3358396 0.3358396), wk = 0.0023810 k( 115) = ( -0.3296204 0.3296204 0.3296204), wk = 0.0023810 k( 116) = ( -0.3234011 0.3234011 0.3234011), wk = 0.0023810 k( 117) = ( -0.3171819 0.3171819 0.3171819), wk = 0.0023810 k( 118) = ( -0.3109626 0.3109626 0.3109626), wk = 0.0023810 k( 119) = ( -0.3047434 0.3047434 0.3047434), wk = 0.0023810 k( 120) = ( -0.2985241 0.2985241 0.2985241), wk = 0.0023810 k( 121) = ( -0.2923049 0.2923049 0.2923049), wk = 0.0023810 k( 122) = ( -0.2860856 0.2860856 0.2860856), wk = 0.0023810 k( 123) = ( -0.2798664 0.2798664 0.2798664), wk = 0.0023810 k( 124) = ( -0.2736471 0.2736471 0.2736471), wk = 0.0023810 k( 125) = ( -0.2674279 0.2674279 0.2674279), wk = 0.0023810 k( 126) = ( -0.2612086 0.2612086 0.2612086), wk = 0.0023810 k( 127) = ( -0.2549894 0.2549894 0.2549894), wk = 0.0023810 k( 128) = ( -0.2487701 0.2487701 0.2487701), wk = 0.0023810 k( 129) = ( -0.2425509 0.2425509 0.2425509), wk = 0.0023810 k( 130) = ( -0.2363316 0.2363316 0.2363316), wk = 0.0023810 k( 131) = ( -0.2301123 0.2301123 0.2301124), wk = 0.0023810 k( 132) = ( -0.2238931 0.2238931 0.2238931), wk = 0.0023810 k( 133) = ( -0.2176738 0.2176738 0.2176738), wk = 0.0023810 k( 134) = ( -0.2114546 0.2114546 0.2114546), wk = 0.0023810 k( 135) = ( -0.2052353 0.2052353 0.2052353), wk = 0.0023810 k( 136) = ( -0.1990161 0.1990161 0.1990161), wk = 0.0023810 k( 137) = ( -0.1927968 0.1927968 0.1927968), wk = 0.0023810 k( 138) = ( -0.1865776 0.1865776 0.1865776), wk = 0.0023810 k( 139) = ( -0.1803583 0.1803583 0.1803583), wk = 0.0023810 k( 140) = ( -0.1741391 0.1741391 0.1741391), wk = 0.0023810 k( 141) = ( -0.1679198 0.1679198 0.1679198), wk = 0.0023810 k( 142) = ( -0.1617006 0.1617006 0.1617006), wk = 0.0023810 k( 143) = ( -0.1554813 0.1554813 0.1554813), wk = 0.0023810 k( 144) = ( -0.1492621 0.1492621 0.1492621), wk = 0.0023810 k( 145) = ( -0.1430428 0.1430428 0.1430428), wk = 0.0023810 k( 146) = ( -0.1368236 0.1368236 0.1368236), wk = 0.0023810 k( 147) = ( -0.1306043 0.1306043 0.1306043), wk = 0.0023810 k( 148) = ( -0.1243850 0.1243850 0.1243851), wk = 0.0023810 k( 149) = ( -0.1181658 0.1181658 0.1181658), wk = 0.0023810 k( 150) = ( -0.1119466 0.1119465 0.1119466), wk = 0.0023810 k( 151) = ( -0.1057273 0.1057273 0.1057273), wk = 0.0023810 k( 152) = ( -0.0995080 0.0995080 0.0995080), wk = 0.0023810 k( 153) = ( -0.0932888 0.0932888 0.0932888), wk = 0.0023810 k( 154) = ( -0.0870695 0.0870695 0.0870695), wk = 0.0023810 k( 155) = ( -0.0808503 0.0808503 0.0808503), wk = 0.0023810 k( 156) = ( -0.0746310 0.0746310 0.0746310), wk = 0.0023810 k( 157) = ( -0.0684118 0.0684118 0.0684118), wk = 0.0023810 k( 158) = ( -0.0621925 0.0621925 0.0621925), wk = 0.0023810 k( 159) = ( -0.0559733 0.0559733 0.0559733), wk = 0.0023810 k( 160) = ( -0.0497540 0.0497540 0.0497540), wk = 0.0023810 k( 161) = ( -0.0435348 0.0435348 0.0435348), wk = 0.0023810 k( 162) = ( -0.0373155 0.0373155 0.0373155), wk = 0.0023810 k( 163) = ( -0.0310963 0.0310963 0.0310963), wk = 0.0023810 k( 164) = ( -0.0248770 0.0248770 0.0248770), wk = 0.0023810 k( 165) = ( -0.0186578 0.0186578 0.0186578), wk = 0.0023810 k( 166) = ( -0.0124385 0.0124385 0.0124385), wk = 0.0023810 k( 167) = ( -0.0062192 0.0062192 0.0062192), wk = 0.0023810 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 170) = ( 0.0092593 0.0092593 -0.0092593), wk = 0.0023810 k( 171) = ( 0.0185185 0.0185185 -0.0185185), wk = 0.0023810 k( 172) = ( 0.0277778 0.0277778 -0.0277778), wk = 0.0023810 k( 173) = ( 0.0370370 0.0370370 -0.0370370), wk = 0.0023810 k( 174) = ( 0.0462963 0.0462963 -0.0462963), wk = 0.0023810 k( 175) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0023810 k( 176) = ( 0.0648148 0.0648148 -0.0648148), wk = 0.0023810 k( 177) = ( 0.0740741 0.0740741 -0.0740741), wk = 0.0023810 k( 178) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0023810 k( 179) = ( 0.0925926 0.0925926 -0.0925926), wk = 0.0023810 k( 180) = ( 0.1018518 0.1018518 -0.1018518), wk = 0.0023810 k( 181) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0023810 k( 182) = ( 0.1203704 0.1203704 -0.1203704), wk = 0.0023810 k( 183) = ( 0.1296296 0.1296296 -0.1296296), wk = 0.0023810 k( 184) = ( 0.1388889 0.1388889 -0.1388889), wk = 0.0023810 k( 185) = ( 0.1481482 0.1481482 -0.1481482), wk = 0.0023810 k( 186) = ( 0.1574074 0.1574074 -0.1574074), wk = 0.0023810 k( 187) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0023810 k( 188) = ( 0.1759259 0.1759259 -0.1759259), wk = 0.0023810 k( 189) = ( 0.1851852 0.1851852 -0.1851852), wk = 0.0023810 k( 190) = ( 0.1944444 0.1944444 -0.1944444), wk = 0.0023810 k( 191) = ( 0.2037037 0.2037037 -0.2037037), wk = 0.0023810 k( 192) = ( 0.2129630 0.2129630 -0.2129630), wk = 0.0023810 k( 193) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0023810 k( 194) = ( 0.2314815 0.2314815 -0.2314815), wk = 0.0023810 k( 195) = ( 0.2407407 0.2407407 -0.2407407), wk = 0.0023810 k( 196) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0023810 k( 197) = ( 0.2592593 0.2592593 -0.2592593), wk = 0.0023810 k( 198) = ( 0.2685185 0.2685185 -0.2685185), wk = 0.0023810 k( 199) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0023810 k( 200) = ( 0.2870370 0.2870370 -0.2870370), wk = 0.0023810 k( 201) = ( 0.2962963 0.2962963 -0.2962963), wk = 0.0023810 k( 202) = ( 0.3055556 0.3055556 -0.3055556), wk = 0.0023810 k( 203) = ( 0.3148148 0.3148148 -0.3148148), wk = 0.0023810 k( 204) = ( 0.3240741 0.3240741 -0.3240741), wk = 0.0023810 k( 205) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0023810 k( 206) = ( 0.3425926 0.3425926 -0.3425926), wk = 0.0023810 k( 207) = ( 0.3518519 0.3518519 -0.3518519), wk = 0.0023810 k( 208) = ( 0.3611111 0.3611111 -0.3611111), wk = 0.0023810 k( 209) = ( 0.3703704 0.3703704 -0.3703704), wk = 0.0023810 k( 210) = ( 0.3796296 0.3796296 -0.3796296), wk = 0.0023810 k( 211) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0023810 k( 212) = ( 0.3981481 0.3981481 -0.3981481), wk = 0.0023810 k( 213) = ( 0.4074074 0.4074074 -0.4074074), wk = 0.0023810 k( 214) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0023810 k( 215) = ( 0.4259259 0.4259259 -0.4259259), wk = 0.0023810 k( 216) = ( 0.4351852 0.4351852 -0.4351852), wk = 0.0023810 k( 217) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0023810 k( 218) = ( 0.4537037 0.4537037 -0.4537037), wk = 0.0023810 k( 219) = ( 0.4629630 0.4629630 -0.4629630), wk = 0.0023810 k( 220) = ( 0.4722222 0.4722222 -0.4722222), wk = 0.0023810 k( 221) = ( 0.4814815 0.4814815 -0.4814815), wk = 0.0023810 k( 222) = ( 0.4907407 0.4907407 -0.4907407), wk = 0.0023810 k( 223) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0023810 k( 224) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0023810 k( 225) = ( 0.4939442 0.5060558 -0.4939442), wk = 0.0023810 k( 226) = ( 0.4878884 0.5121116 -0.4878884), wk = 0.0023810 k( 227) = ( 0.4818326 0.5181674 -0.4818326), wk = 0.0023810 k( 228) = ( 0.4757768 0.5242232 -0.4757768), wk = 0.0023810 k( 229) = ( 0.4697210 0.5302790 -0.4697210), wk = 0.0023810 k( 230) = ( 0.4636652 0.5363348 -0.4636652), wk = 0.0023810 k( 231) = ( 0.4576094 0.5423906 -0.4576094), wk = 0.0023810 k( 232) = ( 0.4515536 0.5484464 -0.4515536), wk = 0.0023810 k( 233) = ( 0.4454978 0.5545022 -0.4454978), wk = 0.0023810 k( 234) = ( 0.4394420 0.5605580 -0.4394420), wk = 0.0023810 k( 235) = ( 0.4333862 0.5666138 -0.4333862), wk = 0.0023810 k( 236) = ( 0.4273304 0.5726696 -0.4273304), wk = 0.0023810 k( 237) = ( 0.4212746 0.5787254 -0.4212746), wk = 0.0023810 k( 238) = ( 0.4152188 0.5847812 -0.4152188), wk = 0.0023810 k( 239) = ( 0.4091630 0.5908370 -0.4091630), wk = 0.0023810 k( 240) = ( 0.4031072 0.5968928 -0.4031072), wk = 0.0023810 k( 241) = ( 0.3970514 0.6029486 -0.3970514), wk = 0.0023810 k( 242) = ( 0.3909956 0.6090044 -0.3909956), wk = 0.0023810 k( 243) = ( 0.3849398 0.6150602 -0.3849398), wk = 0.0023810 k( 244) = ( 0.3788840 0.6211160 -0.3788840), wk = 0.0023810 k( 245) = ( 0.3728283 0.6271718 -0.3728283), wk = 0.0023810 k( 246) = ( 0.3667725 0.6332275 -0.3667725), wk = 0.0023810 k( 247) = ( 0.3607167 0.6392833 -0.3607166), wk = 0.0023810 k( 248) = ( 0.3607167 0.6392833 -0.3607166), wk = 0.0023810 k( 249) = ( 0.3494443 0.6349307 -0.3494443), wk = 0.0023810 k( 250) = ( 0.3381719 0.6305781 -0.3381719), wk = 0.0023810 k( 251) = ( 0.3268995 0.6262255 -0.3268995), wk = 0.0023810 k( 252) = ( 0.3156271 0.6218729 -0.3156271), wk = 0.0023810 k( 253) = ( 0.3043547 0.6175203 -0.3043547), wk = 0.0023810 k( 254) = ( 0.2930823 0.6131677 -0.2930823), wk = 0.0023810 k( 255) = ( 0.2818099 0.6088151 -0.2818099), wk = 0.0023810 k( 256) = ( 0.2705375 0.6044625 -0.2705375), wk = 0.0023810 k( 257) = ( 0.2592651 0.6001099 -0.2592651), wk = 0.0023810 k( 258) = ( 0.2479927 0.5957573 -0.2479927), wk = 0.0023810 k( 259) = ( 0.2367203 0.5914047 -0.2367203), wk = 0.0023810 k( 260) = ( 0.2254479 0.5870521 -0.2254479), wk = 0.0023810 k( 261) = ( 0.2141755 0.5826995 -0.2141755), wk = 0.0023810 k( 262) = ( 0.2029031 0.5783469 -0.2029031), wk = 0.0023810 k( 263) = ( 0.1916307 0.5739943 -0.1916307), wk = 0.0023810 k( 264) = ( 0.1803583 0.5696417 -0.1803583), wk = 0.0023810 k( 265) = ( 0.1690859 0.5652891 -0.1690859), wk = 0.0023810 k( 266) = ( 0.1578135 0.5609365 -0.1578135), wk = 0.0023810 k( 267) = ( 0.1465411 0.5565839 -0.1465411), wk = 0.0023810 k( 268) = ( 0.1352687 0.5522313 -0.1352687), wk = 0.0023810 k( 269) = ( 0.1239964 0.5478786 -0.1239963), wk = 0.0023810 k( 270) = ( 0.1127240 0.5435260 -0.1127240), wk = 0.0023810 k( 271) = ( 0.1014516 0.5391734 -0.1014516), wk = 0.0023810 k( 272) = ( 0.0901792 0.5348208 -0.0901792), wk = 0.0023810 k( 273) = ( 0.0789068 0.5304682 -0.0789068), wk = 0.0023810 k( 274) = ( 0.0676344 0.5261156 -0.0676344), wk = 0.0023810 k( 275) = ( 0.0563620 0.5217630 -0.0563620), wk = 0.0023810 k( 276) = ( 0.0450896 0.5174104 -0.0450896), wk = 0.0023810 k( 277) = ( 0.0338172 0.5130578 -0.0338172), wk = 0.0023810 k( 278) = ( 0.0225448 0.5087052 -0.0225448), wk = 0.0023810 k( 279) = ( 0.0112724 0.5043526 -0.0112724), wk = 0.0023810 k( 280) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023810 k( 281) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023810 k( 282) = ( 0.0062500 0.4937500 0.0062500), wk = 0.0023810 k( 283) = ( 0.0125000 0.4875000 0.0125000), wk = 0.0023810 k( 284) = ( 0.0187500 0.4812500 0.0187500), wk = 0.0023810 k( 285) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0023810 k( 286) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0023810 k( 287) = ( 0.0375000 0.4625000 0.0375000), wk = 0.0023810 k( 288) = ( 0.0437500 0.4562500 0.0437500), wk = 0.0023810 k( 289) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0023810 k( 290) = ( 0.0562500 0.4437500 0.0562500), wk = 0.0023810 k( 291) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0023810 k( 292) = ( 0.0687500 0.4312500 0.0687500), wk = 0.0023810 k( 293) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0023810 k( 294) = ( 0.0812500 0.4187500 0.0812500), wk = 0.0023810 k( 295) = ( 0.0875000 0.4125000 0.0875000), wk = 0.0023810 k( 296) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0023810 k( 297) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0023810 k( 298) = ( 0.1062500 0.3937500 0.1062500), wk = 0.0023810 k( 299) = ( 0.1125000 0.3875000 0.1125000), wk = 0.0023810 k( 300) = ( 0.1187500 0.3812500 0.1187500), wk = 0.0023810 k( 301) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0023810 k( 302) = ( 0.1312500 0.3687500 0.1312500), wk = 0.0023810 k( 303) = ( 0.1375000 0.3625000 0.1375000), wk = 0.0023810 k( 304) = ( 0.1437500 0.3562500 0.1437500), wk = 0.0023810 k( 305) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0023810 k( 306) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0023810 k( 307) = ( 0.1625000 0.3375000 0.1625000), wk = 0.0023810 k( 308) = ( 0.1687500 0.3312500 0.1687500), wk = 0.0023810 k( 309) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0023810 k( 310) = ( 0.1812500 0.3187500 0.1812500), wk = 0.0023810 k( 311) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0023810 k( 312) = ( 0.1937500 0.3062500 0.1937500), wk = 0.0023810 k( 313) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0023810 k( 314) = ( 0.2062500 0.2937500 0.2062500), wk = 0.0023810 k( 315) = ( 0.2125000 0.2875000 0.2125000), wk = 0.0023810 k( 316) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0023810 k( 317) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0023810 k( 318) = ( 0.2312500 0.2687500 0.2312500), wk = 0.0023810 k( 319) = ( 0.2375000 0.2625000 0.2375000), wk = 0.0023810 k( 320) = ( 0.2437500 0.2562500 0.2437500), wk = 0.0023810 k( 321) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0023810 k( 322) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0023810 k( 323) = ( 0.2567568 0.2567568 0.2372586), wk = 0.0023810 k( 324) = ( 0.2635135 0.2635135 0.2245171), wk = 0.0023810 k( 325) = ( 0.2702703 0.2702703 0.2117757), wk = 0.0023810 k( 326) = ( 0.2770270 0.2770270 0.1990342), wk = 0.0023810 k( 327) = ( 0.2837838 0.2837838 0.1862928), wk = 0.0023810 k( 328) = ( 0.2905405 0.2905405 0.1735514), wk = 0.0023810 k( 329) = ( 0.2972973 0.2972973 0.1608099), wk = 0.0023810 k( 330) = ( 0.3040541 0.3040540 0.1480685), wk = 0.0023810 k( 331) = ( 0.3108108 0.3108108 0.1353270), wk = 0.0023810 k( 332) = ( 0.3175676 0.3175676 0.1225856), wk = 0.0023810 k( 333) = ( 0.3243243 0.3243243 0.1098442), wk = 0.0023810 k( 334) = ( 0.3310811 0.3310811 0.0971027), wk = 0.0023810 k( 335) = ( 0.3378378 0.3378378 0.0843613), wk = 0.0023810 k( 336) = ( 0.3445946 0.3445946 0.0716198), wk = 0.0023810 k( 337) = ( 0.3513514 0.3513514 0.0588784), wk = 0.0023810 k( 338) = ( 0.3581081 0.3581081 0.0461370), wk = 0.0023810 k( 339) = ( 0.3648649 0.3648649 0.0333955), wk = 0.0023810 k( 340) = ( 0.3716216 0.3716216 0.0206541), wk = 0.0023810 k( 341) = ( 0.3783784 0.3783784 0.0079126), wk = 0.0023810 k( 342) = ( 0.3851351 0.3851351 -0.0048288), wk = 0.0023810 k( 343) = ( 0.3918919 0.3918919 -0.0175702), wk = 0.0023810 k( 344) = ( 0.3986486 0.3986486 -0.0303117), wk = 0.0023810 k( 345) = ( 0.4054054 0.4054054 -0.0430531), wk = 0.0023810 k( 346) = ( 0.4121622 0.4121622 -0.0557946), wk = 0.0023810 k( 347) = ( 0.4189189 0.4189189 -0.0685360), wk = 0.0023810 k( 348) = ( 0.4256757 0.4256757 -0.0812775), wk = 0.0023810 k( 349) = ( 0.4324324 0.4324324 -0.0940189), wk = 0.0023810 k( 350) = ( 0.4391892 0.4391892 -0.1067603), wk = 0.0023810 k( 351) = ( 0.4459459 0.4459459 -0.1195018), wk = 0.0023810 k( 352) = ( 0.4527027 0.4527027 -0.1322432), wk = 0.0023810 k( 353) = ( 0.4594595 0.4594595 -0.1449847), wk = 0.0023810 k( 354) = ( 0.4662162 0.4662162 -0.1577261), wk = 0.0023810 k( 355) = ( 0.4729730 0.4729730 -0.1704675), wk = 0.0023810 k( 356) = ( 0.4797297 0.4797297 -0.1832090), wk = 0.0023810 k( 357) = ( 0.4864865 0.4864865 -0.1959504), wk = 0.0023810 k( 358) = ( 0.4932432 0.4932432 -0.2086919), wk = 0.0023810 k( 359) = ( 0.5000000 0.5000000 -0.2214333), wk = 0.0023810 k( 360) = ( 0.5000000 0.5000000 -0.2214333), wk = 0.0023810 k( 361) = ( 0.5000000 0.5000000 -0.2301385), wk = 0.0023810 k( 362) = ( 0.5000000 0.5000000 -0.2388437), wk = 0.0023810 k( 363) = ( 0.5000000 0.5000000 -0.2475489), wk = 0.0023810 k( 364) = ( 0.5000000 0.5000000 -0.2562541), wk = 0.0023810 k( 365) = ( 0.5000000 0.5000000 -0.2649593), wk = 0.0023810 k( 366) = ( 0.5000000 0.5000000 -0.2736646), wk = 0.0023810 k( 367) = ( 0.5000000 0.5000000 -0.2823698), wk = 0.0023810 k( 368) = ( 0.5000000 0.5000000 -0.2910750), wk = 0.0023810 k( 369) = ( 0.5000000 0.5000000 -0.2997802), wk = 0.0023810 k( 370) = ( 0.5000000 0.5000000 -0.3084854), wk = 0.0023810 k( 371) = ( 0.5000000 0.5000000 -0.3171906), wk = 0.0023810 k( 372) = ( 0.5000000 0.5000000 -0.3258958), wk = 0.0023810 k( 373) = ( 0.5000000 0.5000000 -0.3346010), wk = 0.0023810 k( 374) = ( 0.5000000 0.5000000 -0.3433062), wk = 0.0023810 k( 375) = ( 0.5000000 0.5000000 -0.3520114), wk = 0.0023810 k( 376) = ( 0.5000000 0.5000000 -0.3607167), wk = 0.0023810 k( 377) = ( 0.5000000 0.5000000 -0.3694219), wk = 0.0023810 k( 378) = ( 0.5000000 0.5000000 -0.3781271), wk = 0.0023810 k( 379) = ( 0.5000000 0.5000000 -0.3868323), wk = 0.0023810 k( 380) = ( 0.5000000 0.5000000 -0.3955375), wk = 0.0023810 k( 381) = ( 0.5000000 0.5000000 -0.4042427), wk = 0.0023810 k( 382) = ( 0.5000000 0.5000000 -0.4129479), wk = 0.0023810 k( 383) = ( 0.5000000 0.5000000 -0.4216531), wk = 0.0023810 k( 384) = ( 0.5000000 0.5000000 -0.4303583), wk = 0.0023810 k( 385) = ( 0.5000000 0.5000000 -0.4390635), wk = 0.0023810 k( 386) = ( 0.5000000 0.5000000 -0.4477687), wk = 0.0023810 k( 387) = ( 0.5000000 0.5000000 -0.4564740), wk = 0.0023810 k( 388) = ( 0.5000000 0.5000000 -0.4651792), wk = 0.0023810 k( 389) = ( 0.5000000 0.5000000 -0.4738844), wk = 0.0023810 k( 390) = ( 0.5000000 0.5000000 -0.4825896), wk = 0.0023810 k( 391) = ( 0.5000000 0.5000000 -0.4912948), wk = 0.0023810 k( 392) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0023810 k( 393) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023810 k( 394) = ( 0.0092593 0.0092593 0.4907407), wk = 0.0023810 k( 395) = ( 0.0185185 0.0185185 0.4814815), wk = 0.0023810 k( 396) = ( 0.0277778 0.0277778 0.4722222), wk = 0.0023810 k( 397) = ( 0.0370370 0.0370370 0.4629630), wk = 0.0023810 k( 398) = ( 0.0462963 0.0462963 0.4537037), wk = 0.0023810 k( 399) = ( 0.0555556 0.0555556 0.4444444), wk = 0.0023810 k( 400) = ( 0.0648148 0.0648148 0.4351852), wk = 0.0023810 k( 401) = ( 0.0740741 0.0740741 0.4259259), wk = 0.0023810 k( 402) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0023810 k( 403) = ( 0.0925926 0.0925926 0.4074074), wk = 0.0023810 k( 404) = ( 0.1018518 0.1018518 0.3981482), wk = 0.0023810 k( 405) = ( 0.1111111 0.1111111 0.3888889), wk = 0.0023810 k( 406) = ( 0.1203704 0.1203704 0.3796296), wk = 0.0023810 k( 407) = ( 0.1296296 0.1296296 0.3703704), wk = 0.0023810 k( 408) = ( 0.1388889 0.1388889 0.3611111), wk = 0.0023810 k( 409) = ( 0.1481482 0.1481482 0.3518519), wk = 0.0023810 k( 410) = ( 0.1574074 0.1574074 0.3425926), wk = 0.0023810 k( 411) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0023810 k( 412) = ( 0.1759259 0.1759259 0.3240741), wk = 0.0023810 k( 413) = ( 0.1851852 0.1851852 0.3148148), wk = 0.0023810 k( 414) = ( 0.1944444 0.1944444 0.3055556), wk = 0.0023810 k( 415) = ( 0.2037037 0.2037037 0.2962963), wk = 0.0023810 k( 416) = ( 0.2129630 0.2129630 0.2870370), wk = 0.0023810 k( 417) = ( 0.2222222 0.2222222 0.2777778), wk = 0.0023810 k( 418) = ( 0.2314815 0.2314815 0.2685185), wk = 0.0023810 k( 419) = ( 0.2407407 0.2407407 0.2592593), wk = 0.0023810 k( 420) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0023810 Dense grid: 46913 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 12167 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 96, 32) NL pseudopotentials 0.07 Mb ( 48, 102) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1304) G-vector shells 0.00 Mb ( 614) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.19 Mb ( 96, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.10 Mb ( 102, 2, 32) The potential is recalculated from file : ./SiPt2.save/charge-density.dat Starting wfc are 44 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 3.6 secs Computing kpt #: 4 total cpu time spent up to now is 3.8 secs Computing kpt #: 5 total cpu time spent up to now is 4.1 secs Computing kpt #: 6 total cpu time spent up to now is 4.3 secs Computing kpt #: 7 total cpu time spent up to now is 4.6 secs Computing kpt #: 8 total cpu time spent up to now is 4.9 secs Computing kpt #: 9 total cpu time spent up to now is 5.2 secs Computing kpt #: 10 total cpu time spent up to now is 5.6 secs Computing kpt #: 11 total cpu time spent up to now is 5.8 secs Computing kpt #: 12 total cpu time spent up to now is 6.1 secs Computing kpt #: 13 total cpu time spent up to now is 6.4 secs Computing kpt #: 14 total cpu time spent up to now is 6.6 secs Computing kpt #: 15 total cpu time spent up to now is 6.8 secs Computing kpt #: 16 total cpu time spent up to now is 7.0 secs Computing kpt #: 17 total cpu time spent up to now is 7.3 secs Computing kpt #: 18 total cpu time spent up to now is 7.5 secs Computing kpt #: 19 total cpu time spent up to now is 7.7 secs Computing kpt #: 20 total cpu time spent up to now is 7.9 secs Computing kpt #: 21 total cpu time spent up to now is 8.1 secs Computing kpt #: 22 total cpu time spent up to now is 8.3 secs Computing kpt #: 23 total cpu time spent up to now is 8.5 secs Computing kpt #: 24 total cpu time spent up to now is 8.7 secs Computing kpt #: 25 total cpu time spent up to now is 8.9 secs Computing kpt #: 26 total cpu time spent up to now is 9.1 secs Computing kpt #: 27 total cpu time spent up to now is 9.2 secs Computing kpt #: 28 total cpu time spent up to now is 9.4 secs Computing kpt #: 29 total cpu time spent up to now is 9.6 secs Computing kpt #: 30 total cpu time spent up to now is 9.8 secs Computing kpt #: 31 total cpu time spent up to now is 10.0 secs Computing kpt #: 32 total cpu time spent up to now is 10.2 secs Computing kpt #: 33 total cpu time spent up to now is 10.3 secs Computing kpt #: 34 total cpu time spent up to now is 10.5 secs Computing kpt #: 35 total cpu time spent up to now is 10.7 secs Computing kpt #: 36 total cpu time spent up to now is 10.9 secs Computing kpt #: 37 total cpu time spent up to now is 11.1 secs Computing kpt #: 38 total cpu time spent up to now is 11.2 secs Computing kpt #: 39 total cpu time spent up to now is 11.4 secs Computing kpt #: 40 total cpu time spent up to now is 11.6 secs Computing kpt #: 41 total cpu time spent up to now is 11.8 secs Computing kpt #: 42 total cpu time spent up to now is 12.0 secs Computing kpt #: 43 total cpu time spent up to now is 12.1 secs Computing kpt #: 44 total cpu time spent up to now is 12.3 secs Computing kpt #: 45 total cpu time spent up to now is 12.5 secs Computing kpt #: 46 total cpu time spent up to now is 12.6 secs Computing kpt #: 47 total cpu time spent up to now is 12.8 secs Computing kpt #: 48 total cpu time spent up to now is 13.0 secs Computing kpt #: 49 total cpu time spent up to now is 13.2 secs Computing kpt #: 50 total cpu time spent up to now is 13.3 secs Computing kpt #: 51 total cpu time spent up to now is 13.5 secs Computing kpt #: 52 total cpu time spent up to now is 13.7 secs Computing kpt #: 53 total cpu time spent up to now is 13.8 secs Computing kpt #: 54 total cpu time spent up to now is 14.0 secs Computing kpt #: 55 total cpu time spent up to now is 14.1 secs Computing kpt #: 56 total cpu time spent up to now is 14.3 secs Computing kpt #: 57 total cpu time spent up to now is 14.5 secs Computing kpt #: 58 total cpu time spent up to now is 14.6 secs Computing kpt #: 59 total cpu time spent up to now is 14.8 secs Computing kpt #: 60 total cpu time spent up to now is 15.0 secs Computing kpt #: 61 total cpu time spent up to now is 15.1 secs Computing kpt #: 62 total cpu time spent up to now is 15.3 secs Computing kpt #: 63 total cpu time spent up to now is 15.5 secs Computing kpt #: 64 total cpu time spent up to now is 15.6 secs Computing kpt #: 65 total cpu time spent up to now is 15.8 secs Computing kpt #: 66 total cpu time spent up to now is 15.9 secs Computing kpt #: 67 total cpu time spent up to now is 16.1 secs Computing kpt #: 68 total cpu time spent up to now is 16.3 secs Computing kpt #: 69 total cpu time spent up to now is 16.5 secs Computing kpt #: 70 total cpu time spent up to now is 16.6 secs Computing kpt #: 71 total cpu time spent up to now is 16.8 secs Computing kpt #: 72 total cpu time spent up to now is 17.0 secs Computing kpt #: 73 total cpu time spent up to now is 17.2 secs Computing kpt #: 74 total cpu time spent up to now is 17.3 secs Computing kpt #: 75 total cpu time spent up to now is 17.5 secs Computing kpt #: 76 total cpu time spent up to now is 17.7 secs Computing kpt #: 77 total cpu time spent up to now is 17.9 secs Computing kpt #: 78 total cpu time spent up to now is 18.1 secs Computing kpt #: 79 total cpu time spent up to now is 18.3 secs Computing kpt #: 80 total cpu time spent up to now is 18.7 secs Computing kpt #: 81 total cpu time spent up to now is 19.0 secs Computing kpt #: 82 total cpu time spent up to now is 19.2 secs Computing kpt #: 83 total cpu time spent up to now is 19.4 secs Computing kpt #: 84 total cpu time spent up to now is 19.6 secs Computing kpt #: 85 total cpu time spent up to now is 19.9 secs Computing kpt #: 86 total cpu time spent up to now is 20.2 secs Computing kpt #: 87 total cpu time spent up to now is 20.4 secs Computing kpt #: 88 total cpu time spent up to now is 20.7 secs Computing kpt #: 89 total cpu time spent up to now is 20.9 secs Computing kpt #: 90 total cpu time spent up to now is 21.1 secs Computing kpt #: 91 total cpu time spent up to now is 21.3 secs Computing kpt #: 92 total cpu time spent up to now is 21.6 secs Computing kpt #: 93 total cpu time spent up to now is 21.8 secs Computing kpt #: 94 total cpu time spent up to now is 22.0 secs Computing kpt #: 95 total cpu time spent up to now is 22.2 secs Computing kpt #: 96 total cpu time spent up to now is 22.4 secs Computing kpt #: 97 total cpu time spent up to now is 22.7 secs Computing kpt #: 98 total cpu time spent up to now is 22.9 secs Computing kpt #: 99 total cpu time spent up to now is 23.2 secs Computing kpt #: 100 total cpu time spent up to now is 23.5 secs Computing kpt #: 101 total cpu time spent up to now is 23.8 secs Computing kpt #: 102 total cpu time spent up to now is 24.1 secs Computing kpt #: 103 total cpu time spent up to now is 24.4 secs Computing kpt #: 104 total cpu time spent up to now is 24.8 secs Computing kpt #: 105 total cpu time spent up to now is 25.1 secs Computing kpt #: 106 total cpu time spent up to now is 25.4 secs Computing kpt #: 107 total cpu time spent up to now is 25.7 secs Computing kpt #: 108 total cpu time spent up to now is 26.0 secs Computing kpt #: 109 total cpu time spent up to now is 26.2 secs Computing kpt #: 110 total cpu time spent up to now is 26.5 secs Computing kpt #: 111 total cpu time spent up to now is 26.8 secs Computing kpt #: 112 total cpu time spent up to now is 27.2 secs Computing kpt #: 113 total cpu time spent up to now is 27.5 secs Computing kpt #: 114 total cpu time spent up to now is 27.8 secs Computing kpt #: 115 total cpu time spent up to now is 28.1 secs Computing kpt #: 116 total cpu time spent up to now is 28.3 secs Computing kpt #: 117 total cpu time spent up to now is 28.5 secs Computing kpt #: 118 total cpu time spent up to now is 28.8 secs Computing kpt #: 119 total cpu time spent up to now is 29.0 secs Computing kpt #: 120 total cpu time spent up to now is 29.2 secs Computing kpt #: 121 total cpu time spent up to now is 29.4 secs Computing kpt #: 122 total cpu time spent up to now is 29.6 secs Computing kpt #: 123 total cpu time spent up to now is 29.9 secs Computing kpt #: 124 total cpu time spent up to now is 30.1 secs Computing kpt #: 125 total cpu time spent up to now is 30.4 secs Computing kpt #: 126 total cpu time spent up to now is 30.6 secs Computing kpt #: 127 total cpu time spent up to now is 30.8 secs Computing kpt #: 128 total cpu time spent up to now is 31.1 secs Computing kpt #: 129 total cpu time spent up to now is 31.3 secs Computing kpt #: 130 total cpu time spent up to now is 31.6 secs Computing kpt #: 131 total cpu time spent up to now is 31.8 secs Computing kpt #: 132 total cpu time spent up to now is 32.1 secs Computing kpt #: 133 total cpu time spent up to now is 32.3 secs Computing kpt #: 134 total cpu time spent up to now is 32.6 secs Computing kpt #: 135 total cpu time spent up to now is 32.9 secs Computing kpt #: 136 total cpu time spent up to now is 33.1 secs Computing kpt #: 137 total cpu time spent up to now is 33.4 secs Computing kpt #: 138 total cpu time spent up to now is 33.6 secs Computing kpt #: 139 total cpu time spent up to now is 33.9 secs Computing kpt #: 140 total cpu time spent up to now is 34.1 secs Computing kpt #: 141 total cpu time spent up to now is 34.3 secs Computing kpt #: 142 total cpu time spent up to now is 34.6 secs Computing kpt #: 143 total cpu time spent up to now is 34.8 secs Computing kpt #: 144 total cpu time spent up to now is 35.1 secs Computing kpt #: 145 total cpu time spent up to now is 35.3 secs Computing kpt #: 146 total cpu time spent up to now is 35.5 secs Computing kpt #: 147 total cpu time spent up to now is 35.7 secs Computing kpt #: 148 total cpu time spent up to now is 36.0 secs Computing kpt #: 149 total cpu time spent up to now is 36.2 secs Computing kpt #: 150 total cpu time spent up to now is 36.4 secs Computing kpt #: 151 total cpu time spent up to now is 36.6 secs Computing kpt #: 152 total cpu time spent up to now is 36.9 secs Computing kpt #: 153 total cpu time spent up to now is 37.1 secs Computing kpt #: 154 total cpu time spent up to now is 37.4 secs Computing kpt #: 155 total cpu time spent up to now is 37.7 secs Computing kpt #: 156 total cpu time spent up to now is 38.0 secs Computing kpt #: 157 total cpu time spent up to now is 38.2 secs Computing kpt #: 158 total cpu time spent up to now is 39.3 secs Computing kpt #: 159 total cpu time spent up to now is 39.6 secs Computing kpt #: 160 total cpu time spent up to now is 39.9 secs Computing kpt #: 161 total cpu time spent up to now is 40.2 secs Computing kpt #: 162 total cpu time spent up to now is 40.4 secs Computing kpt #: 163 total cpu time spent up to now is 40.7 secs Computing kpt #: 164 total cpu time spent up to now is 40.9 secs Computing kpt #: 165 total cpu time spent up to now is 41.2 secs Computing kpt #: 166 total cpu time spent up to now is 41.4 secs Computing kpt #: 167 total cpu time spent up to now is 41.7 secs Computing kpt #: 168 total cpu time spent up to now is 41.9 secs Computing kpt #: 169 total cpu time spent up to now is 42.2 secs Computing kpt #: 170 total cpu time spent up to now is 42.4 secs Computing kpt #: 171 total cpu time spent up to now is 42.7 secs Computing kpt #: 172 total cpu time spent up to now is 42.9 secs Computing kpt #: 173 total cpu time spent up to now is 43.1 secs Computing kpt #: 174 total cpu time spent up to now is 43.4 secs Computing kpt #: 175 total cpu time spent up to now is 43.6 secs Computing kpt #: 176 total cpu time spent up to now is 43.8 secs Computing kpt #: 177 total cpu time spent up to now is 44.1 secs Computing kpt #: 178 total cpu time spent up to now is 44.3 secs Computing kpt #: 179 total cpu time spent up to now is 44.5 secs Computing kpt #: 180 total cpu time spent up to now is 44.7 secs Computing kpt #: 181 total cpu time spent up to now is 44.9 secs Computing kpt #: 182 total cpu time spent up to now is 45.1 secs Computing kpt #: 183 total cpu time spent up to now is 45.3 secs Computing kpt #: 184 total cpu time spent up to now is 45.5 secs Computing kpt #: 185 total cpu time spent up to now is 45.7 secs Computing kpt #: 186 total cpu time spent up to now is 45.9 secs Computing kpt #: 187 total cpu time spent up to now is 46.1 secs Computing kpt #: 188 total cpu time spent up to now is 46.3 secs Computing kpt #: 189 total cpu time spent up to now is 46.5 secs Computing kpt #: 190 total cpu time spent up to now is 46.7 secs Computing kpt #: 191 total cpu time spent up to now is 46.8 secs Computing kpt #: 192 total cpu time spent up to now is 47.0 secs Computing kpt #: 193 total cpu time spent up to now is 47.2 secs Computing kpt #: 194 total cpu time spent up to now is 47.4 secs Computing kpt #: 195 total cpu time spent up to now is 47.6 secs Computing kpt #: 196 total cpu time spent up to now is 47.8 secs Computing kpt #: 197 total cpu time spent up to now is 47.9 secs Computing kpt #: 198 total cpu time spent up to now is 48.1 secs Computing kpt #: 199 total cpu time spent up to now is 48.3 secs Computing kpt #: 200 total cpu time spent up to now is 48.5 secs Computing kpt #: 201 total cpu time spent up to now is 48.7 secs Computing kpt #: 202 total cpu time spent up to now is 48.8 secs Computing kpt #: 203 total cpu time spent up to now is 49.0 secs Computing kpt #: 204 total cpu time spent up to now is 49.2 secs Computing kpt #: 205 total cpu time spent up to now is 49.4 secs Computing kpt #: 206 total cpu time spent up to now is 49.6 secs Computing kpt #: 207 total cpu time spent up to now is 49.8 secs Computing kpt #: 208 total cpu time spent up to now is 49.9 secs Computing kpt #: 209 total cpu time spent up to now is 50.1 secs Computing kpt #: 210 total cpu time spent up to now is 50.3 secs Computing kpt #: 211 total cpu time spent up to now is 50.5 secs Computing kpt #: 212 total cpu time spent up to now is 50.6 secs Computing kpt #: 213 total cpu time spent up to now is 50.8 secs Computing kpt #: 214 total cpu time spent up to now is 51.0 secs Computing kpt #: 215 total cpu time spent up to now is 51.2 secs Computing kpt #: 216 total cpu time spent up to now is 51.3 secs Computing kpt #: 217 total cpu time spent up to now is 51.5 secs Computing kpt #: 218 total cpu time spent up to now is 51.7 secs Computing kpt #: 219 total cpu time spent up to now is 51.8 secs Computing kpt #: 220 total cpu time spent up to now is 52.0 secs Computing kpt #: 221 total cpu time spent up to now is 52.2 secs Computing kpt #: 222 total cpu time spent up to now is 52.3 secs Computing kpt #: 223 total cpu time spent up to now is 52.5 secs Computing kpt #: 224 total cpu time spent up to now is 52.7 secs Computing kpt #: 225 total cpu time spent up to now is 52.8 secs Computing kpt #: 226 total cpu time spent up to now is 53.0 secs Computing kpt #: 227 total cpu time spent up to now is 53.2 secs Computing kpt #: 228 total cpu time spent up to now is 53.3 secs Computing kpt #: 229 total cpu time spent up to now is 53.5 secs Computing kpt #: 230 total cpu time spent up to now is 53.7 secs Computing kpt #: 231 total cpu time spent up to now is 53.9 secs Computing kpt #: 232 total cpu time spent up to now is 54.1 secs Computing kpt #: 233 total cpu time spent up to now is 54.2 secs Computing kpt #: 234 total cpu time spent up to now is 54.4 secs Computing kpt #: 235 total cpu time spent up to now is 54.6 secs Computing kpt #: 236 total cpu time spent up to now is 54.8 secs Computing kpt #: 237 total cpu time spent up to now is 54.9 secs Computing kpt #: 238 total cpu time spent up to now is 55.1 secs Computing kpt #: 239 total cpu time spent up to now is 55.3 secs Computing kpt #: 240 total cpu time spent up to now is 55.5 secs Computing kpt #: 241 total cpu time spent up to now is 55.7 secs Computing kpt #: 242 total cpu time spent up to now is 55.9 secs Computing kpt #: 243 total cpu time spent up to now is 56.1 secs Computing kpt #: 244 total cpu time spent up to now is 56.3 secs Computing kpt #: 245 total cpu time spent up to now is 56.5 secs Computing kpt #: 246 total cpu time spent up to now is 56.8 secs Computing kpt #: 247 total cpu time spent up to now is 57.1 secs Computing kpt #: 248 total cpu time spent up to now is 57.3 secs Computing kpt #: 249 total cpu time spent up to now is 57.7 secs Computing kpt #: 250 total cpu time spent up to now is 58.0 secs Computing kpt #: 251 total cpu time spent up to now is 58.4 secs Computing kpt #: 252 total cpu time spent up to now is 58.7 secs Computing kpt #: 253 total cpu time spent up to now is 59.0 secs Computing kpt #: 254 total cpu time spent up to now is 59.3 secs Computing kpt #: 255 total cpu time spent up to now is 59.5 secs Computing kpt #: 256 total cpu time spent up to now is 59.8 secs Computing kpt #: 257 total cpu time spent up to now is 60.0 secs Computing kpt #: 258 total cpu time spent up to now is 60.3 secs Computing kpt #: 259 total cpu time spent up to now is 60.5 secs Computing kpt #: 260 total cpu time spent up to now is 60.8 secs Computing kpt #: 261 total cpu time spent up to now is 61.0 secs Computing kpt #: 262 total cpu time spent up to now is 61.2 secs Computing kpt #: 263 total cpu time spent up to now is 61.4 secs Computing kpt #: 264 total cpu time spent up to now is 61.7 secs Computing kpt #: 265 total cpu time spent up to now is 61.9 secs Computing kpt #: 266 total cpu time spent up to now is 62.1 secs Computing kpt #: 267 total cpu time spent up to now is 62.3 secs Computing kpt #: 268 total cpu time spent up to now is 62.6 secs Computing kpt #: 269 total cpu time spent up to now is 62.8 secs Computing kpt #: 270 total cpu time spent up to now is 63.0 secs Computing kpt #: 271 total cpu time spent up to now is 63.2 secs Computing kpt #: 272 total cpu time spent up to now is 63.4 secs Computing kpt #: 273 total cpu time spent up to now is 63.7 secs Computing kpt #: 274 total cpu time spent up to now is 63.9 secs Computing kpt #: 275 total cpu time spent up to now is 64.1 secs Computing kpt #: 276 total cpu time spent up to now is 64.3 secs Computing kpt #: 277 total cpu time spent up to now is 64.6 secs Computing kpt #: 278 total cpu time spent up to now is 64.8 secs Computing kpt #: 279 total cpu time spent up to now is 65.0 secs Computing kpt #: 280 total cpu time spent up to now is 65.2 secs Computing kpt #: 281 total cpu time spent up to now is 65.5 secs Computing kpt #: 282 total cpu time spent up to now is 65.7 secs Computing kpt #: 283 total cpu time spent up to now is 65.9 secs Computing kpt #: 284 total cpu time spent up to now is 66.1 secs Computing kpt #: 285 total cpu time spent up to now is 66.3 secs Computing kpt #: 286 total cpu time spent up to now is 66.5 secs Computing kpt #: 287 total cpu time spent up to now is 66.8 secs Computing kpt #: 288 total cpu time spent up to now is 67.0 secs Computing kpt #: 289 total cpu time spent up to now is 67.2 secs Computing kpt #: 290 total cpu time spent up to now is 67.4 secs Computing kpt #: 291 total cpu time spent up to now is 67.7 secs Computing kpt #: 292 total cpu time spent up to now is 67.9 secs Computing kpt #: 293 total cpu time spent up to now is 68.1 secs Computing kpt #: 294 total cpu time spent up to now is 68.3 secs Computing kpt #: 295 total cpu time spent up to now is 68.5 secs Computing kpt #: 296 total cpu time spent up to now is 68.8 secs Computing kpt #: 297 total cpu time spent up to now is 69.0 secs Computing kpt #: 298 total cpu time spent up to now is 69.2 secs Computing kpt #: 299 total cpu time spent up to now is 69.4 secs Computing kpt #: 300 total cpu time spent up to now is 69.6 secs Computing kpt #: 301 total cpu time spent up to now is 69.8 secs Computing kpt #: 302 total cpu time spent up to now is 70.0 secs Computing kpt #: 303 total cpu time spent up to now is 70.2 secs Computing kpt #: 304 total cpu time spent up to now is 70.4 secs Computing kpt #: 305 total cpu time spent up to now is 70.5 secs Computing kpt #: 306 total cpu time spent up to now is 70.7 secs Computing kpt #: 307 total cpu time spent up to now is 70.9 secs Computing kpt #: 308 total cpu time spent up to now is 71.1 secs Computing kpt #: 309 total cpu time spent up to now is 71.3 secs Computing kpt #: 310 total cpu time spent up to now is 71.5 secs Computing kpt #: 311 total cpu time spent up to now is 71.7 secs Computing kpt #: 312 total cpu time spent up to now is 71.9 secs Computing kpt #: 313 total cpu time spent up to now is 72.1 secs Computing kpt #: 314 total cpu time spent up to now is 72.3 secs Computing kpt #: 315 total cpu time spent up to now is 72.5 secs Computing kpt #: 316 total cpu time spent up to now is 72.7 secs Computing kpt #: 317 total cpu time spent up to now is 72.8 secs Computing kpt #: 318 total cpu time spent up to now is 73.0 secs Computing kpt #: 319 total cpu time spent up to now is 73.3 secs Computing kpt #: 320 total cpu time spent up to now is 73.4 secs Computing kpt #: 321 total cpu time spent up to now is 73.6 secs Computing kpt #: 322 total cpu time spent up to now is 73.8 secs Computing kpt #: 323 total cpu time spent up to now is 74.0 secs Computing kpt #: 324 total cpu time spent up to now is 74.2 secs Computing kpt #: 325 total cpu time spent up to now is 74.5 secs Computing kpt #: 326 total cpu time spent up to now is 74.7 secs Computing kpt #: 327 total cpu time spent up to now is 74.9 secs Computing kpt #: 328 total cpu time spent up to now is 75.2 secs Computing kpt #: 329 total cpu time spent up to now is 75.5 secs Computing kpt #: 330 total cpu time spent up to now is 75.7 secs Computing kpt #: 331 total cpu time spent up to now is 76.0 secs Computing kpt #: 332 total cpu time spent up to now is 76.3 secs Computing kpt #: 333 total cpu time spent up to now is 76.5 secs Computing kpt #: 334 total cpu time spent up to now is 76.8 secs Computing kpt #: 335 total cpu time spent up to now is 77.0 secs Computing kpt #: 336 total cpu time spent up to now is 77.2 secs Computing kpt #: 337 total cpu time spent up to now is 77.4 secs Computing kpt #: 338 total cpu time spent up to now is 77.6 secs Computing kpt #: 339 total cpu time spent up to now is 77.8 secs Computing kpt #: 340 total cpu time spent up to now is 78.0 secs Computing kpt #: 341 total cpu time spent up to now is 78.2 secs Computing kpt #: 342 total cpu time spent up to now is 78.4 secs Computing kpt #: 343 total cpu time spent up to now is 78.6 secs Computing kpt #: 344 total cpu time spent up to now is 78.8 secs Computing kpt #: 345 total cpu time spent up to now is 79.0 secs Computing kpt #: 346 total cpu time spent up to now is 79.2 secs Computing kpt #: 347 total cpu time spent up to now is 79.4 secs Computing kpt #: 348 total cpu time spent up to now is 79.6 secs Computing kpt #: 349 total cpu time spent up to now is 79.7 secs Computing kpt #: 350 total cpu time spent up to now is 79.9 secs Computing kpt #: 351 total cpu time spent up to now is 80.2 secs Computing kpt #: 352 total cpu time spent up to now is 80.4 secs Computing kpt #: 353 total cpu time spent up to now is 80.6 secs Computing kpt #: 354 total cpu time spent up to now is 80.8 secs Computing kpt #: 355 total cpu time spent up to now is 81.0 secs Computing kpt #: 356 total cpu time spent up to now is 81.3 secs Computing kpt #: 357 total cpu time spent up to now is 81.5 secs Computing kpt #: 358 total cpu time spent up to now is 81.7 secs Computing kpt #: 359 total cpu time spent up to now is 82.0 secs Computing kpt #: 360 total cpu time spent up to now is 82.3 secs Computing kpt #: 361 total cpu time spent up to now is 82.5 secs Computing kpt #: 362 total cpu time spent up to now is 82.7 secs Computing kpt #: 363 total cpu time spent up to now is 83.0 secs Computing kpt #: 364 total cpu time spent up to now is 83.2 secs Computing kpt #: 365 total cpu time spent up to now is 83.4 secs Computing kpt #: 366 total cpu time spent up to now is 83.6 secs Computing kpt #: 367 total cpu time spent up to now is 83.9 secs Computing kpt #: 368 total cpu time spent up to now is 84.1 secs Computing kpt #: 369 total cpu time spent up to now is 84.4 secs Computing kpt #: 370 total cpu time spent up to now is 84.6 secs Computing kpt #: 371 total cpu time spent up to now is 84.9 secs Computing kpt #: 372 total cpu time spent up to now is 85.1 secs Computing kpt #: 373 total cpu time spent up to now is 85.3 secs Computing kpt #: 374 total cpu time spent up to now is 85.5 secs Computing kpt #: 375 total cpu time spent up to now is 85.7 secs Computing kpt #: 376 total cpu time spent up to now is 85.9 secs Computing kpt #: 377 total cpu time spent up to now is 86.1 secs Computing kpt #: 378 total cpu time spent up to now is 86.3 secs Computing kpt #: 379 total cpu time spent up to now is 86.4 secs Computing kpt #: 380 total cpu time spent up to now is 86.6 secs Computing kpt #: 381 total cpu time spent up to now is 86.8 secs Computing kpt #: 382 total cpu time spent up to now is 87.0 secs Computing kpt #: 383 total cpu time spent up to now is 87.1 secs Computing kpt #: 384 total cpu time spent up to now is 87.3 secs Computing kpt #: 385 total cpu time spent up to now is 87.5 secs Computing kpt #: 386 total cpu time spent up to now is 87.7 secs Computing kpt #: 387 total cpu time spent up to now is 87.8 secs Computing kpt #: 388 total cpu time spent up to now is 88.0 secs Computing kpt #: 389 total cpu time spent up to now is 88.1 secs Computing kpt #: 390 total cpu time spent up to now is 88.3 secs Computing kpt #: 391 total cpu time spent up to now is 88.5 secs Computing kpt #: 392 total cpu time spent up to now is 88.6 secs Computing kpt #: 393 total cpu time spent up to now is 88.8 secs Computing kpt #: 394 total cpu time spent up to now is 89.0 secs Computing kpt #: 395 total cpu time spent up to now is 89.1 secs Computing kpt #: 396 total cpu time spent up to now is 89.3 secs Computing kpt #: 397 total cpu time spent up to now is 89.5 secs Computing kpt #: 398 total cpu time spent up to now is 89.6 secs Computing kpt #: 399 total cpu time spent up to now is 89.8 secs Computing kpt #: 400 total cpu time spent up to now is 90.0 secs Computing kpt #: 401 total cpu time spent up to now is 90.1 secs Computing kpt #: 402 total cpu time spent up to now is 90.3 secs Computing kpt #: 403 total cpu time spent up to now is 90.5 secs Computing kpt #: 404 total cpu time spent up to now is 90.7 secs Computing kpt #: 405 total cpu time spent up to now is 90.9 secs Computing kpt #: 406 total cpu time spent up to now is 91.0 secs Computing kpt #: 407 total cpu time spent up to now is 91.2 secs Computing kpt #: 408 total cpu time spent up to now is 91.4 secs Computing kpt #: 409 total cpu time spent up to now is 91.6 secs Computing kpt #: 410 total cpu time spent up to now is 91.8 secs Computing kpt #: 411 total cpu time spent up to now is 92.0 secs Computing kpt #: 412 total cpu time spent up to now is 92.3 secs Computing kpt #: 413 total cpu time spent up to now is 92.5 secs Computing kpt #: 414 total cpu time spent up to now is 92.8 secs Computing kpt #: 415 total cpu time spent up to now is 93.0 secs Computing kpt #: 416 total cpu time spent up to now is 93.3 secs Computing kpt #: 417 total cpu time spent up to now is 93.5 secs Computing kpt #: 418 total cpu time spent up to now is 93.7 secs Computing kpt #: 419 total cpu time spent up to now is 93.9 secs Computing kpt #: 420 total cpu time spent up to now is 94.1 secs ethr = 4.17E-08, avg # of iterations = 23.0 total cpu time spent up to now is 94.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1515 PWs) bands (ev): 2.7920 2.7920 7.8317 7.8317 8.1042 8.1042 8.5126 8.5126 8.6650 8.6650 8.8631 8.8631 12.7964 12.7964 12.9838 12.9838 13.7599 13.7599 14.5267 14.5267 15.0131 15.0131 17.9341 17.9341 18.0721 18.0721 19.6336 19.6336 20.0854 20.0854 20.1991 20.1991 k = 0.0000 0.0000 0.0128 ( 1511 PWs) bands (ev): 2.7936 2.7936 7.8329 7.8329 8.1042 8.1042 8.5124 8.5124 8.6667 8.6667 8.8639 8.8639 12.7954 12.7954 12.9824 12.9824 13.7578 13.7578 14.5253 14.5253 15.0065 15.0065 17.9340 17.9340 18.0739 18.0739 19.6298 19.6298 20.0747 20.0747 20.1982 20.1982 k = 0.0000 0.0000 0.0256 ( 1511 PWs) bands (ev): 2.7982 2.7982 7.8364 7.8364 8.1042 8.1042 8.5120 8.5120 8.6718 8.6718 8.8663 8.8663 12.7922 12.7922 12.9783 12.9783 13.7514 13.7514 14.5210 14.5210 14.9870 14.9870 17.9335 17.9335 18.0794 18.0794 19.6183 19.6183 20.0424 20.0424 20.1987 20.1987 k = 0.0000 0.0000 0.0384 ( 1511 PWs) bands (ev): 2.8059 2.8059 7.8423 7.8423 8.1040 8.1040 8.5117 8.5117 8.6799 8.6799 8.8704 8.8704 12.7869 12.7869 12.9716 12.9716 13.7408 13.7408 14.5132 14.5132 14.9556 14.9556 17.9322 17.9322 18.0885 18.0885 19.5986 19.5986 19.9909 19.9909 20.2042 20.2042 k = 0.0000 0.0000 0.0512 ( 1511 PWs) bands (ev): 2.8167 2.8167 7.8504 7.8504 8.1035 8.1035 8.5120 8.5120 8.6907 8.6907 8.8763 8.8763 12.7790 12.7790 12.9627 12.9627 13.7260 13.7260 14.5008 14.5008 14.9144 14.9144 17.9297 17.9297 18.1009 18.1009 19.5703 19.5703 19.9254 19.9254 20.2160 20.2160 k = 0.0000 0.0000 0.0640 ( 1511 PWs) bands (ev): 2.8305 2.8305 7.8606 7.8606 8.1026 8.1026 8.5135 8.5135 8.7037 8.7037 8.8840 8.8840 12.7682 12.7682 12.9520 12.9520 13.7070 13.7070 14.4820 14.4820 14.8661 14.8661 17.9250 17.9250 18.1165 18.1165 19.5332 19.5332 19.8512 19.8512 20.2338 20.2338 k = 0.0000 0.0000 0.0768 ( 1511 PWs) bands (ev): 2.8473 2.8473 7.8727 7.8727 8.1010 8.1010 8.5168 8.5168 8.7187 8.7187 8.8937 8.8937 12.7541 12.7541 12.9399 12.9399 13.6837 13.6837 14.4539 14.4539 14.8150 14.8150 17.9173 17.9173 18.1348 18.1348 19.4873 19.4873 19.7721 19.7721 20.2566 20.2566 k = 0.0000 0.0000 0.0896 ( 1509 PWs) bands (ev): 2.8671 2.8671 7.8865 7.8865 8.0988 8.0988 8.5224 8.5224 8.7350 8.7350 8.9056 8.9056 12.7364 12.7364 12.9270 12.9270 13.6562 13.6562 14.4131 14.4131 14.7661 14.7661 17.9056 17.9056 18.1555 18.1555 19.4326 19.4326 19.6912 19.6912 20.2828 20.2828 k = 0.0000 0.0000 0.1024 ( 1509 PWs) bands (ev): 2.8898 2.8898 7.9013 7.9013 8.0961 8.0961 8.5309 8.5309 8.7525 8.7525 8.9200 8.9200 12.7147 12.7147 12.9135 12.9135 13.6240 13.6240 14.3566 14.3566 14.7239 14.7239 17.8890 17.8890 18.1780 18.1780 19.3694 19.3694 19.6109 19.6109 20.3090 20.3090 k = 0.0000 0.0000 0.1152 ( 1507 PWs) bands (ev): 2.9155 2.9155 7.9165 7.9165 8.0936 8.0936 8.5425 8.5425 8.7706 8.7706 8.9372 8.9372 12.6889 12.6889 12.8996 12.8996 13.5868 13.5868 14.2844 14.2844 14.6907 14.6907 17.8667 17.8667 18.2016 18.2016 19.2982 19.2982 19.5331 19.5331 20.3301 20.3301 k = 0.0000 0.0000 0.1280 ( 1507 PWs) bands (ev): 2.9441 2.9441 7.9304 7.9304 8.0924 8.0924 8.5575 8.5575 8.7891 8.7891 8.9572 8.9572 12.6590 12.6590 12.8855 12.8855 13.5439 13.5439 14.1995 14.1995 14.6657 14.6657 17.8377 17.8377 18.2256 18.2256 19.2195 19.2195 19.4592 19.4592 20.3395 20.3395 k = 0.0000 0.0000 0.1408 ( 1503 PWs) bands (ev): 2.9754 2.9754 7.9409 7.9409 8.0947 8.0947 8.5761 8.5761 8.8076 8.8076 8.9805 8.9805 12.6253 12.6253 12.8709 12.8709 13.4939 13.4939 14.1068 14.1068 14.6469 14.6469 17.8014 17.8014 18.2488 18.2488 19.1343 19.1343 19.3902 19.3902 20.3333 20.3333 k = 0.0000 0.0000 0.1536 ( 1499 PWs) bands (ev): 3.0096 3.0096 7.9456 7.9456 8.1030 8.1030 8.5983 8.5983 8.8260 8.8260 9.0069 9.0069 12.5881 12.5881 12.8556 12.8556 13.4351 13.4351 14.0115 14.0115 14.6322 14.6322 17.7574 17.7574 18.2701 18.2701 19.0436 19.0436 19.3264 19.3264 20.3130 20.3130 k = 0.0000 0.0000 0.1664 ( 1499 PWs) bands (ev): 3.0464 3.0464 7.9428 7.9428 8.1189 8.1189 8.6241 8.6241 8.8442 8.8442 9.0366 9.0366 12.5477 12.5477 12.8391 12.8391 13.3652 13.3652 13.9189 13.9189 14.6203 14.6203 17.7055 17.7055 18.2881 18.2881 18.9486 18.9486 19.2679 19.2679 20.2833 20.2833 k = 0.0000 0.0000 0.1792 ( 1495 PWs) bands (ev): 3.0859 3.0859 7.9331 7.9331 8.1420 8.1420 8.6534 8.6534 8.8621 8.8621 9.0694 9.0694 12.5045 12.5045 12.8213 12.8213 13.2822 13.2822 13.8334 13.8334 14.6102 14.6102 17.6455 17.6455 18.3009 18.3009 18.8503 18.8503 19.2148 19.2148 20.2494 20.2494 k = 0.0000 0.0000 0.1920 ( 1495 PWs) bands (ev): 3.1280 3.1280 7.9177 7.9177 8.1711 8.1711 8.6860 8.6860 8.8799 8.8799 9.1051 9.1051 12.4589 12.4589 12.8016 12.8016 13.1849 13.1849 13.7581 13.7581 14.6013 14.6013 17.5778 17.5778 18.3066 18.3066 18.7498 18.7498 19.1667 19.1667 20.2154 20.2154 k = 0.0000 0.0000 0.2048 ( 1495 PWs) bands (ev): 3.1726 3.1726 7.8982 7.8982 8.2050 8.2050 8.7219 8.7219 8.8977 8.8977 9.1436 9.1436 12.4112 12.4112 12.7798 12.7798 13.0741 13.0741 13.6940 13.6940 14.5932 14.5932 17.5027 17.5027 18.3023 18.3023 18.6487 18.6487 19.1236 19.1236 20.1845 20.1845 k = 0.0000 0.0000 0.2176 ( 1499 PWs) bands (ev): 3.2195 3.2195 7.8756 7.8756 8.2426 8.2426 8.7608 8.7608 8.9155 8.9155 9.1845 9.1845 12.3617 12.3617 12.7554 12.7554 12.9520 12.9520 13.6404 13.6404 14.5857 14.5857 17.4209 17.4209 18.2844 18.2844 18.5494 18.5494 19.0848 19.0848 20.1593 20.1593 k = 0.0000 0.0000 0.2304 ( 1501 PWs) bands (ev): 3.2689 3.2689 7.8506 7.8506 8.2835 8.2835 8.8027 8.8027 8.9334 8.9334 9.2276 9.2276 12.3106 12.3106 12.7272 12.7272 12.8226 12.8226 13.5959 13.5959 14.5785 14.5785 17.3329 17.3329 18.2475 18.2475 18.4564 18.4564 19.0501 19.0501 20.1421 20.1421 k = 0.0000 0.0000 0.2432 ( 1501 PWs) bands (ev): 3.3204 3.3204 7.8237 7.8237 8.3272 8.3272 8.8474 8.8474 8.9516 8.9516 9.2728 9.2728 12.2581 12.2581 12.6713 12.6713 12.7124 12.7124 13.5588 13.5588 14.5717 14.5717 17.2395 17.2395 18.1856 18.1856 18.3747 18.3747 19.0189 19.0189 20.1341 20.1341 k = 0.0000 0.0000 0.2560 ( 1499 PWs) bands (ev): 3.3741 3.3741 7.7953 7.7953 8.3734 8.3734 8.8946 8.8946 8.9702 8.9702 9.3197 9.3197 12.2040 12.2040 12.5388 12.5388 12.6730 12.6730 13.5280 13.5280 14.5650 14.5650 17.1414 17.1414 18.0992 18.0992 18.3039 18.3039 18.9907 18.9907 20.1364 20.1364 k = 0.0000 0.0000 0.2688 ( 1511 PWs) bands (ev): 3.4299 3.4299 7.7657 7.7657 8.4219 8.4219 8.9440 8.9440 8.9894 8.9894 9.3682 9.3682 12.1473 12.1473 12.3987 12.3987 12.6382 12.6382 13.5023 13.5023 14.5585 14.5585 17.0392 17.0392 17.9963 17.9963 18.2364 18.2364 18.9649 18.9649 20.1491 20.1491 k = 0.0000 0.0000 0.2816 ( 1511 PWs) bands (ev): 3.4875 3.4875 7.7352 7.7352 8.4725 8.4725 8.9930 8.9930 9.0118 9.0118 9.4179 9.4179 12.0852 12.0852 12.2620 12.2620 12.6019 12.6019 13.4810 13.4810 14.5521 14.5521 16.9335 16.9335 17.8841 17.8841 18.1658 18.1658 18.9413 18.9413 20.1718 20.1718 k = 0.0000 0.0000 0.2944 ( 1507 PWs) bands (ev): 3.5470 3.5470 7.7039 7.7039 8.5250 8.5250 9.0237 9.0237 9.0551 9.0551 9.4688 9.4688 12.0075 12.0075 12.1404 12.1404 12.5638 12.5638 13.4636 13.4636 14.5457 14.5457 16.8249 16.8249 17.7665 17.7665 18.0894 18.0894 18.9194 18.9194 20.2037 20.2037 k = 0.0000 0.0000 0.3072 ( 1507 PWs) bands (ev): 3.6082 3.6082 7.6721 7.6721 8.5793 8.5793 9.0447 9.0447 9.1106 9.1106 9.5205 9.5205 11.8992 11.8992 12.0504 12.0504 12.5242 12.5242 13.4493 13.4493 14.5395 14.5395 16.7139 16.7139 17.6455 17.6455 18.0070 18.0070 18.8989 18.8989 20.2437 20.2437 k = 0.0000 0.0000 0.3200 ( 1505 PWs) bands (ev): 3.6710 3.6710 7.6399 7.6399 8.6352 8.6352 9.0652 9.0652 9.1690 9.1690 9.5728 9.5728 11.7684 11.7684 11.9848 11.9848 12.4833 12.4833 13.4379 13.4379 14.5332 14.5332 16.6007 16.6007 17.5220 17.5220 17.9189 17.9189 18.8797 18.8797 20.2904 20.2904 k = 0.0000 0.0000 0.3328 ( 1511 PWs) bands (ev): 3.7352 3.7352 7.6074 7.6074 8.6923 8.6923 9.0860 9.0860 9.2294 9.2294 9.6254 9.6254 11.6303 11.6303 11.9291 11.9291 12.4414 12.4414 13.4289 13.4289 14.5271 14.5271 16.4860 16.4860 17.3968 17.3968 17.8262 17.8262 18.8616 18.8616 20.3427 20.3427 k = 0.0000 0.0000 0.3456 ( 1515 PWs) bands (ev): 3.8007 3.8007 7.5748 7.5748 8.7505 8.7505 9.1072 9.1072 9.2914 9.2914 9.6781 9.6781 11.4911 11.4911 11.8781 11.8781 12.3989 12.3989 13.4220 13.4220 14.5210 14.5210 16.3699 16.3699 17.2703 17.2703 17.7299 17.7299 18.8443 18.8443 20.3993 20.3993 k = 0.0000 0.0000 0.3584 ( 1523 PWs) bands (ev): 3.8674 3.8674 7.5423 7.5423 8.8093 8.8093 9.1292 9.1292 9.3549 9.3549 9.7307 9.7307 11.3532 11.3532 11.8302 11.8302 12.3561 12.3561 13.4169 13.4169 14.5149 14.5149 16.2528 16.2528 17.1428 17.1428 17.6311 17.6311 18.8279 18.8279 20.4590 20.4590 k = 0.0000 0.0000 0.3712 ( 1519 PWs) bands (ev): 3.9350 3.9350 7.5098 7.5098 8.8684 8.8684 9.1520 9.1520 9.4196 9.4196 9.7829 9.7829 11.2176 11.2176 11.7849 11.7849 12.3133 12.3133 13.4132 13.4132 14.5089 14.5089 16.1349 16.1349 17.0147 17.0147 17.5307 17.5307 18.8121 18.8121 20.5209 20.5209 k = 0.0000 0.0000 0.3840 ( 1519 PWs) bands (ev): 4.0036 4.0036 7.4776 7.4776 8.9270 8.9270 9.1762 9.1762 9.4852 9.4852 9.8345 9.8345 11.0852 11.0852 11.7421 11.7421 12.2708 12.2708 13.4109 13.4109 14.5030 14.5030 16.0165 16.0165 16.8860 16.8860 17.4298 17.4298 18.7970 18.7970 20.5839 20.5839 k = 0.0000 0.0000 0.3968 ( 1515 PWs) bands (ev): 4.0728 4.0728 7.4458 7.4458 8.9842 8.9842 9.2023 9.2023 9.5513 9.5513 9.8852 9.8852 10.9566 10.9566 11.7020 11.7020 12.2289 12.2289 13.4095 13.4095 14.4971 14.4971 15.8978 15.8978 16.7572 16.7572 17.3292 17.3292 18.7824 18.7824 20.6473 20.6473 k = 0.0000 0.0000 0.4096 ( 1515 PWs) bands (ev): 4.1425 4.1425 7.4143 7.4143 9.0387 9.0387 9.2313 9.2313 9.6175 9.6175 9.9349 9.9349 10.8324 10.8324 11.6647 11.6647 12.1878 12.1878 13.4091 13.4091 14.4914 14.4914 15.7791 15.7791 16.6282 16.6282 17.2296 17.2296 18.7683 18.7683 20.7103 20.7103 k = 0.0000 0.0000 0.4224 ( 1523 PWs) bands (ev): 4.2125 4.2125 7.3834 7.3834 9.0887 9.0887 9.2643 9.2643 9.6832 9.6832 9.9834 9.9834 10.7134 10.7134 11.6305 11.6305 12.1480 12.1480 13.4093 13.4093 14.4856 14.4856 15.6606 15.6606 16.4995 16.4995 17.1317 17.1317 18.7547 18.7547 20.7722 20.7722 k = 0.0000 0.0000 0.4352 ( 1523 PWs) bands (ev): 4.2827 4.2827 7.3530 7.3530 9.1328 9.1328 9.3023 9.3023 9.7476 9.7476 10.0305 10.0305 10.6004 10.6004 11.5995 11.5995 12.1095 12.1095 13.4100 13.4100 14.4800 14.4800 15.5424 15.5424 16.3711 16.3711 17.0362 17.0362 18.7415 18.7415 20.8325 20.8325 k = 0.0000 0.0000 0.4480 ( 1523 PWs) bands (ev): 4.3528 4.3528 7.3234 7.3234 9.1703 9.1703 9.3453 9.3453 9.8094 9.8094 10.0764 10.0764 10.4950 10.4950 11.5719 11.5719 12.0727 12.0727 13.4111 13.4111 14.4744 14.4744 15.4249 15.4249 16.2432 16.2432 16.9437 16.9437 18.7288 18.7288 20.8906 20.8906 k = 0.0000 0.0000 0.4608 ( 1523 PWs) bands (ev): 4.4225 4.4225 7.2944 7.2944 9.2018 9.2018 9.3913 9.3913 9.8668 9.8668 10.1210 10.1210 10.3995 10.3995 11.5481 11.5481 12.0380 12.0380 13.4125 13.4125 14.4688 14.4688 15.3082 15.3082 16.1160 16.1160 16.8547 16.8547 18.7166 18.7166 20.9463 20.9463 k = 0.0000 0.0000 0.4736 ( 1523 PWs) bands (ev): 4.4918 4.4918 7.2663 7.2663 9.2285 9.2285 9.4376 9.4376 9.9160 9.9160 10.1645 10.1645 10.3182 10.3182 11.5282 11.5282 12.0055 12.0055 13.4139 13.4139 14.4632 14.4632 15.1926 15.1926 15.9897 15.9897 16.7695 16.7695 18.7048 18.7048 20.9990 20.9990 k = 0.0000 0.0000 0.4864 ( 1529 PWs) bands (ev): 4.5603 4.5603 7.2390 7.2390 9.2518 9.2518 9.4804 9.4804 9.9505 9.9505 10.2066 10.2066 10.2596 10.2596 11.5123 11.5123 11.9756 11.9756 13.4154 13.4154 14.4574 14.4574 15.0784 15.0784 15.8645 15.8645 16.6887 16.6887 18.6934 18.6934 21.0486 21.0486 k = 0.0000 0.0000 0.4992 ( 1525 PWs) bands (ev): 4.6279 4.6279 7.2126 7.2126 9.2726 9.2726 9.5153 9.5153 9.9622 9.9622 10.2290 10.2290 10.2529 10.2529 11.5008 11.5008 11.9488 11.9488 13.4166 13.4166 14.4514 14.4514 14.9660 14.9660 15.7406 15.7406 16.6125 16.6125 18.6825 18.6825 21.0949 21.0949 k = 0.0000 0.0000 0.5120 ( 1529 PWs) bands (ev): 4.6942 4.6942 7.1873 7.1873 9.2912 9.2912 9.5367 9.5367 9.9544 9.9544 10.2373 10.2373 10.2933 10.2933 11.4936 11.4936 11.9254 11.9254 13.4175 13.4175 14.4448 14.4448 14.8559 14.8559 15.6184 15.6184 16.5412 16.5412 18.6721 18.6721 21.1376 21.1376 k = 0.0000 0.0000 0.5248 ( 1525 PWs) bands (ev): 4.7590 4.7590 7.1629 7.1629 9.3080 9.3080 9.5392 9.5392 9.9448 9.9448 10.2642 10.2642 10.3351 10.3351 11.4908 11.4908 11.9060 11.9060 13.4179 13.4179 14.4373 14.4373 14.7489 14.7489 15.4982 15.4982 16.4749 16.4749 18.6621 18.6621 21.1769 21.1769 k = 0.0000 0.0000 0.5376 ( 1525 PWs) bands (ev): 4.8220 4.8220 7.1397 7.1397 9.3227 9.3227 9.5216 9.5216 9.9460 9.9460 10.2990 10.2990 10.3764 10.3764 11.4920 11.4920 11.8912 11.8912 13.4176 13.4176 14.4274 14.4274 14.6463 14.6463 15.3804 15.3804 16.4139 16.4139 18.6527 18.6527 21.2126 21.2126 k = 0.0000 0.0000 0.5504 ( 1521 PWs) bands (ev): 4.8829 4.8829 7.1176 7.1176 9.3347 9.3347 9.4891 9.4891 9.9592 9.9592 10.3363 10.3363 10.4167 10.4167 11.4970 11.4970 11.8816 11.8816 13.4165 13.4165 14.4118 14.4118 14.5520 14.5520 15.2656 15.2656 16.3581 16.3581 18.6437 18.6437 21.2447 21.2447 k = 0.0000 0.0000 0.5632 ( 1521 PWs) bands (ev): 4.9415 4.9415 7.0967 7.0967 9.3415 9.3415 9.4509 9.4509 9.9796 9.9796 10.3739 10.3739 10.4552 10.4552 11.5052 11.5052 11.8781 11.8781 13.4142 13.4142 14.3776 14.3776 14.4789 14.4789 15.1546 15.1546 16.3075 16.3075 18.6353 18.6353 21.2735 21.2735 k = 0.0000 0.0000 0.5760 ( 1525 PWs) bands (ev): 4.9975 4.9975 7.0770 7.0770 9.3356 9.3356 9.4202 9.4202 10.0028 10.0028 10.4104 10.4104 10.4918 10.4918 11.5158 11.5158 11.8813 11.8813 13.4105 13.4105 14.3110 14.3110 14.4408 14.4408 15.0482 15.0482 16.2620 16.2620 18.6275 18.6275 21.2990 21.2990 k = 0.0000 0.0000 0.5888 ( 1525 PWs) bands (ev): 5.0505 5.0505 7.0587 7.0587 9.3081 9.3081 9.4094 9.4094 10.0257 10.0257 10.4446 10.4446 10.5266 10.5266 11.5278 11.5278 11.8918 11.8918 13.4051 13.4051 14.2302 14.2302 14.4194 14.4194 14.9479 14.9479 16.2216 16.2216 18.6202 18.6202 21.3213 21.3213 k = 0.0000 0.0000 0.6016 ( 1523 PWs) bands (ev): 5.1002 5.1002 7.0416 7.0416 9.2680 9.2680 9.4116 9.4116 10.0469 10.0469 10.4751 10.4751 10.5605 10.5605 11.5406 11.5406 11.9096 11.9096 13.3976 13.3976 14.1498 14.1498 14.3999 14.3999 14.8556 14.8556 16.1860 16.1860 18.6135 18.6135 21.3407 21.3407 k = 0.0000 0.0000 0.6144 ( 1523 PWs) bands (ev): 5.1463 5.1463 7.0260 7.0260 9.2258 9.2258 9.4178 9.4178 10.0656 10.0656 10.5006 10.5006 10.5939 10.5939 11.5536 11.5536 11.9343 11.9343 13.3876 13.3876 14.0744 14.0744 14.3766 14.3766 14.7736 14.7736 16.1549 16.1549 18.6073 18.6073 21.3574 21.3574 k = 0.0000 0.0000 0.6272 ( 1523 PWs) bands (ev): 5.1886 5.1886 7.0118 7.0118 9.1855 9.1855 9.4248 9.4248 10.0816 10.0816 10.5208 10.5208 10.6267 10.6267 11.5666 11.5666 11.9647 11.9647 13.3750 13.3750 14.0059 14.0059 14.3467 14.3467 14.7049 14.7049 16.1282 16.1282 18.6018 18.6018 21.3716 21.3716 k = 0.0000 0.0000 0.6400 ( 1519 PWs) bands (ev): 5.2268 5.2268 6.9991 6.9991 9.1485 9.1485 9.4317 9.4317 10.0951 10.0951 10.5359 10.5359 10.6583 10.6583 11.5795 11.5795 11.9992 11.9992 13.3596 13.3596 13.9456 13.9456 14.3087 14.3087 14.6512 14.6512 16.1055 16.1055 18.5969 18.5969 21.3834 21.3834 k = 0.0000 0.0000 0.6528 ( 1519 PWs) bands (ev): 5.2605 5.2605 6.9879 6.9879 9.1157 9.1157 9.4379 9.4379 10.1062 10.1062 10.5469 10.5469 10.6875 10.6875 11.5922 11.5922 12.0358 12.0358 13.3419 13.3419 13.8943 13.8943 14.2641 14.2641 14.6122 14.6122 16.0866 16.0866 18.5926 18.5926 21.3932 21.3932 k = 0.0000 0.0000 0.6656 ( 1524 PWs) bands (ev): 5.2895 5.2895 6.9784 6.9784 9.0875 9.0875 9.4433 9.4433 10.1152 10.1152 10.5546 10.5546 10.7135 10.7135 11.6045 11.6045 12.0723 12.0723 13.3226 13.3226 13.8523 13.8523 14.2165 14.2165 14.5854 14.5854 16.0712 16.0712 18.5890 18.5890 21.4011 21.4011 k = 0.0000 0.0000 0.6784 ( 1522 PWs) bands (ev): 5.3136 5.3136 6.9705 6.9705 9.0641 9.0641 9.4478 9.4478 10.1223 10.1223 10.5598 10.5598 10.7354 10.7354 11.6160 11.6160 12.1065 12.1065 13.3031 13.3031 13.8194 13.8194 14.1706 14.1706 14.5676 14.5676 16.0590 16.0590 18.5860 18.5860 21.4073 21.4073 k = 0.0000 0.0000 0.6912 ( 1520 PWs) bands (ev): 5.3325 5.3325 6.9644 6.9644 9.0458 9.0458 9.4513 9.4513 10.1277 10.1277 10.5631 10.5631 10.7528 10.7528 11.6259 11.6259 12.1360 12.1360 13.2852 13.2852 13.7949 13.7949 14.1306 14.1306 14.5559 14.5559 16.0497 16.0497 18.5837 18.5837 21.4120 21.4120 k = 0.0000 0.0000 0.7040 ( 1520 PWs) bands (ev): 5.3462 5.3462 6.9599 6.9599 9.0327 9.0327 9.4539 9.4539 10.1314 10.1314 10.5651 10.5651 10.7653 10.7653 11.6338 11.6338 12.1588 12.1588 13.2708 13.2708 13.7781 13.7781 14.0997 14.0997 14.5487 14.5487 16.0433 16.0433 18.5820 18.5820 21.4152 21.4152 k = 0.0000 0.0000 0.7168 ( 1520 PWs) bands (ev): 5.3545 5.3545 6.9572 6.9572 9.0247 9.0247 9.4554 9.4554 10.1336 10.1336 10.5662 10.5662 10.7729 10.7729 11.6388 11.6388 12.1733 12.1733 13.2613 13.2613 13.7684 13.7684 14.0802 14.0802 14.5447 14.5447 16.0395 16.0395 18.5810 18.5810 21.4171 21.4171 k = 0.0000 0.0000 0.7296 ( 1512 PWs) bands (ev): 5.3572 5.3572 6.9563 6.9563 9.0221 9.0221 9.4559 9.4559 10.1344 10.1344 10.5665 10.5665 10.7755 10.7755 11.6405 11.6405 12.1782 12.1782 13.2581 13.2581 13.7652 13.7652 14.0736 14.0736 14.5434 14.5434 16.0382 16.0382 18.5807 18.5807 21.4177 21.4177 k = 0.0000 0.0000 0.7296 ( 1512 PWs) bands (ev): 5.3572 5.3572 6.9563 6.9563 9.0221 9.0221 9.4559 9.4559 10.1344 10.1344 10.5665 10.5665 10.7755 10.7755 11.6405 11.6405 12.1782 12.1782 13.2581 13.2581 13.7652 13.7652 14.0736 14.0736 14.5434 14.5434 16.0382 16.0382 18.5807 18.5807 21.4177 21.4177 k =-0.0085 0.0090 0.7296 ( 1520 PWs) bands (ev): 5.3574 5.3574 6.9583 6.9583 9.0203 9.0203 9.4569 9.4569 10.1345 10.1345 10.5541 10.5541 10.7890 10.7890 11.6410 11.6410 12.1781 12.1781 13.2548 13.2548 13.7617 13.7617 14.0635 14.0635 14.5512 14.5512 16.0381 16.0381 18.5878 18.5878 21.4207 21.4207 k =-0.0170 0.0181 0.7296 ( 1520 PWs) bands (ev): 5.3580 5.3580 6.9642 6.9642 9.0150 9.0150 9.4600 9.4600 10.1347 10.1347 10.5236 10.5236 10.8230 10.8230 11.6427 11.6427 12.1776 12.1776 13.2450 13.2450 13.7508 13.7508 14.0360 14.0360 14.5723 14.5723 16.0380 16.0380 18.6091 18.6091 21.4297 21.4297 k =-0.0255 0.0271 0.7296 ( 1520 PWs) bands (ev): 5.3589 5.3589 6.9739 6.9739 9.0061 9.0061 9.4650 9.4650 10.1348 10.1348 10.4851 10.4851 10.8675 10.8675 11.6453 11.6453 12.1769 12.1769 13.2283 13.2283 13.7321 13.7321 13.9970 13.9970 14.6021 14.6021 16.0377 16.0377 18.6443 18.6443 21.4446 21.4446 k =-0.0341 0.0362 0.7296 ( 1518 PWs) bands (ev): 5.3603 5.3603 6.9875 6.9875 8.9939 8.9939 9.4721 9.4721 10.1343 10.1343 10.4443 10.4443 10.9172 10.9172 11.6490 11.6490 12.1759 12.1759 13.2045 13.2045 13.7045 13.7045 13.9529 13.9529 14.6362 14.6362 16.0374 16.0374 18.6928 18.6928 21.4654 21.4654 k =-0.0426 0.0452 0.7296 ( 1520 PWs) bands (ev): 5.3619 5.3619 7.0050 7.0050 8.9783 8.9783 9.4810 9.4810 10.1324 10.1324 10.4043 10.4043 10.9698 10.9698 11.6537 11.6537 12.1745 12.1745 13.1729 13.1729 13.6677 13.6677 13.9088 13.9088 14.6712 14.6712 16.0370 16.0370 18.7541 18.7541 21.4919 21.4919 k =-0.0511 0.0543 0.7296 ( 1518 PWs) bands (ev): 5.3639 5.3639 7.0262 7.0262 8.9594 8.9594 9.4918 9.4918 10.1282 10.1282 10.3673 10.3673 11.0240 11.0240 11.6591 11.6591 12.1729 12.1729 13.1330 13.1330 13.6224 13.6224 13.8675 13.8675 14.7055 14.7055 16.0365 16.0365 18.8275 18.8275 21.5241 21.5241 k =-0.0596 0.0633 0.7296 ( 1526 PWs) bands (ev): 5.3662 5.3662 7.0512 7.0512 8.9375 8.9375 9.5044 9.5044 10.1201 10.1201 10.3353 10.3353 11.0792 11.0792 11.6653 11.6653 12.1710 12.1710 13.0845 13.0845 13.5710 13.5710 13.8296 13.8296 14.7378 14.7378 16.0360 16.0360 18.9120 18.9120 21.5618 21.5618 k =-0.0681 0.0724 0.7296 ( 1530 PWs) bands (ev): 5.3688 5.3688 7.0798 7.0798 8.9126 8.9126 9.5187 9.5187 10.1065 10.1065 10.3102 10.3102 11.1349 11.1349 11.6721 11.6721 12.1687 12.1687 13.0271 13.0271 13.5164 13.5164 13.7942 13.7942 14.7677 14.7677 16.0355 16.0355 19.0069 19.0069 21.6049 21.6049 k =-0.0766 0.0814 0.7296 ( 1522 PWs) bands (ev): 5.3716 5.3716 7.1120 7.1120 8.8848 8.8848 9.5346 9.5346 10.0867 10.0867 10.2929 10.2929 11.1909 11.1909 11.6792 11.6792 12.1659 12.1659 12.9615 12.9615 13.4612 13.4612 13.7602 13.7602 14.7948 14.7948 16.0351 16.0351 19.1113 19.1113 21.6531 21.6531 k =-0.0852 0.0905 0.7296 ( 1520 PWs) bands (ev): 5.3747 5.3747 7.1478 7.1478 8.8542 8.8542 9.5518 9.5518 10.0614 10.0614 10.2830 10.2830 11.2468 11.2468 11.6866 11.6866 12.1624 12.1624 12.8887 12.8887 13.4069 13.4069 13.7267 13.7267 14.8191 14.8191 16.0346 16.0346 19.2244 19.2244 21.7064 21.7064 k =-0.0937 0.0995 0.7296 ( 1516 PWs) bands (ev): 5.3778 5.3778 7.1869 7.1869 8.8209 8.8209 9.5703 9.5703 10.0326 10.0326 10.2786 10.2786 11.3025 11.3025 11.6939 11.6939 12.1579 12.1579 12.8108 12.8108 13.3543 13.3543 13.6933 13.6933 14.8407 14.8407 16.0341 16.0341 19.3452 19.3452 21.7644 21.7644 k =-0.1022 0.1086 0.7296 ( 1516 PWs) bands (ev): 5.3812 5.3812 7.2294 7.2294 8.7851 8.7851 9.5895 9.5895 10.0024 10.0024 10.2780 10.2780 11.3576 11.3576 11.7009 11.7009 12.1517 12.1517 12.7302 12.7302 13.3033 13.3033 13.6596 13.6596 14.8596 14.8596 16.0336 16.0336 19.4731 19.4731 21.8268 21.8268 k =-0.1107 0.1176 0.7296 ( 1512 PWs) bands (ev): 5.3846 5.3846 7.2750 7.2750 8.7469 8.7469 9.6091 9.6091 9.9725 9.9725 10.2797 10.2797 11.4119 11.4119 11.7074 11.7074 12.1430 12.1430 12.6498 12.6498 13.2538 13.2538 13.6258 13.6258 14.8762 14.8762 16.0331 16.0331 19.6073 19.6073 21.8935 21.8935 k =-0.1192 0.1267 0.7296 ( 1512 PWs) bands (ev): 5.3880 5.3880 7.3237 7.3237 8.7063 8.7063 9.6281 9.6281 9.9448 9.9448 10.2827 10.2827 11.4649 11.4649 11.7129 11.7129 12.1301 12.1301 12.5732 12.5732 13.2055 13.2055 13.5919 13.5919 14.8904 14.8904 16.0325 16.0325 19.7472 19.7472 21.9642 21.9642 k =-0.1277 0.1357 0.7296 ( 1512 PWs) bands (ev): 5.3914 5.3914 7.3753 7.3753 8.6633 8.6633 9.6454 9.6454 9.9211 9.9211 10.2862 10.2862 11.5159 11.5159 11.7172 11.7172 12.1110 12.1110 12.5045 12.5045 13.1581 13.1581 13.5582 13.5582 14.9026 14.9026 16.0319 16.0319 19.8921 19.8921 22.0386 22.0386 k =-0.1363 0.1448 0.7296 ( 1518 PWs) bands (ev): 5.3947 5.3947 7.4296 7.4296 8.6182 8.6182 9.6589 9.6589 9.9036 9.9036 10.2896 10.2896 11.5639 11.5639 11.7202 11.7202 12.0838 12.0838 12.4477 12.4477 13.1116 13.1116 13.5250 13.5250 14.9129 14.9129 16.0312 16.0312 20.0414 20.0414 22.1163 22.1163 k =-0.1448 0.1538 0.7296 ( 1522 PWs) bands (ev): 5.3979 5.3979 7.4865 7.4865 8.5710 8.5710 9.6664 9.6664 9.8948 9.8948 10.2926 10.2926 11.6060 11.6060 11.7228 11.7228 12.0483 12.0483 12.4055 12.4055 13.0661 13.0661 13.4928 13.4928 14.9214 14.9214 16.0304 16.0304 20.1948 20.1948 22.1971 22.1971 k =-0.1533 0.1629 0.7296 ( 1526 PWs) bands (ev): 5.4009 5.4009 7.5457 7.5457 8.5217 8.5217 9.6664 9.6664 9.8961 9.8961 10.2949 10.2949 11.6355 11.6355 11.7294 11.7294 12.0078 12.0078 12.3774 12.3774 13.0217 13.0217 13.4619 13.4619 14.9284 14.9284 16.0294 16.0294 20.3517 20.3517 22.2804 22.2804 k =-0.1618 0.1719 0.7296 ( 1526 PWs) bands (ev): 5.4038 5.4038 7.6071 7.6071 8.4706 8.4706 9.6593 9.6593 9.9072 9.9072 10.2962 10.2962 11.6415 11.6415 11.7476 11.7476 11.9688 11.9688 12.3605 12.3605 12.9788 12.9788 13.4329 13.4329 14.9339 14.9339 16.0282 16.0282 20.5117 20.5117 22.3660 22.3660 k =-0.1703 0.1810 0.7296 ( 1526 PWs) bands (ev): 5.4063 5.4063 7.6704 7.6704 8.4177 8.4177 9.6470 9.6470 9.9256 9.9256 10.2965 10.2965 11.6240 11.6240 11.7740 11.7740 11.9383 11.9383 12.3512 12.3512 12.9380 12.9380 13.4064 13.4064 14.9382 14.9382 16.0268 16.0268 20.6744 20.6744 22.4533 22.4533 k =-0.1788 0.1900 0.7296 ( 1526 PWs) bands (ev): 5.4086 5.4086 7.7353 7.7353 8.3633 8.3633 9.6318 9.6318 9.9483 9.9483 10.2960 10.2960 11.5908 11.5908 11.7980 11.7980 11.9219 11.9219 12.3465 12.3465 12.8998 12.8998 13.3830 13.3830 14.9413 14.9413 16.0251 16.0251 20.8395 20.8395 22.5416 22.5416 k =-0.1874 0.1991 0.7296 ( 1526 PWs) bands (ev): 5.4104 5.4104 7.8013 7.8013 8.3075 8.3075 9.6155 9.6155 9.9725 9.9725 10.2955 10.2955 11.5488 11.5488 11.8128 11.8128 11.9217 11.9217 12.3439 12.3439 12.8652 12.8652 13.3633 13.3633 14.9434 14.9434 16.0230 16.0230 21.0066 21.0066 22.6299 22.6299 k =-0.1959 0.2081 0.7296 ( 1526 PWs) bands (ev): 5.4119 5.4119 7.8678 7.8678 8.2511 8.2511 9.5992 9.5992 9.9952 9.9952 10.2962 10.2962 11.5031 11.5031 11.8180 11.8180 11.9338 11.9338 12.3415 12.3415 12.8352 12.8352 13.3478 13.3478 14.9446 14.9446 16.0206 16.0206 21.1755 21.1755 22.7163 22.7163 k =-0.2044 0.2172 0.7296 ( 1522 PWs) bands (ev): 5.4130 5.4130 7.9331 7.9331 8.1955 8.1955 9.5838 9.5838 10.0134 10.0134 10.3001 10.3001 11.4580 11.4580 11.8182 11.8182 11.9505 11.9505 12.3379 12.3379 12.8112 12.8112 13.3372 13.3372 14.9450 14.9450 16.0177 16.0177 21.3457 21.3457 22.7975 22.7975 k =-0.2129 0.2262 0.7296 ( 1526 PWs) bands (ev): 5.4136 5.4136 7.9910 7.9910 8.1469 8.1469 9.5697 9.5697 10.0237 10.0237 10.3096 10.3096 11.4159 11.4159 11.8167 11.8167 11.9660 11.9660 12.3316 12.3316 12.7944 12.7944 13.3318 13.3318 14.9446 14.9446 16.0143 16.0143 21.5170 21.5170 22.8645 22.8645 k =-0.2214 0.2353 0.7296 ( 1522 PWs) bands (ev): 5.4137 5.4137 8.0120 8.0120 8.1345 8.1345 9.5572 9.5572 10.0239 10.0239 10.3266 10.3266 11.3786 11.3786 11.8146 11.8146 11.9777 11.9777 12.3219 12.3219 12.7858 12.7858 13.3320 13.3320 14.9437 14.9437 16.0103 16.0103 21.6890 21.6890 22.8930 22.8930 k =-0.2214 0.2353 0.7296 ( 1522 PWs) bands (ev): 5.4137 5.4137 8.0120 8.0120 8.1345 8.1345 9.5572 9.5572 10.0239 10.0239 10.3266 10.3266 11.3786 11.3786 11.8146 11.8146 11.9777 11.9777 12.3219 12.3219 12.7858 12.7858 13.3320 13.3320 14.9437 14.9437 16.0103 16.0103 21.6890 21.6890 22.8930 22.8930 k =-0.2275 0.2417 0.7207 ( 1523 PWs) bands (ev): 5.4130 5.4130 7.9894 7.9894 8.1637 8.1637 9.5497 9.5497 10.0178 10.0178 10.3434 10.3434 11.3550 11.3550 11.7993 11.7993 11.9948 11.9948 12.3130 12.3130 12.7847 12.7847 13.3359 13.3359 14.9429 14.9429 16.0094 16.0094 21.8125 21.8125 22.8621 22.8621 k =-0.2335 0.2482 0.7119 ( 1524 PWs) bands (ev): 5.4109 5.4109 7.9547 7.9547 8.2063 8.2063 9.5436 9.5436 10.0073 10.0073 10.3636 10.3636 11.3337 11.3337 11.7635 11.7635 12.0263 12.0263 12.3029 12.3029 12.7867 12.7867 13.3427 13.3427 14.9424 14.9424 16.0134 16.0134 21.9378 21.9378 22.7784 22.7784 k =-0.2396 0.2546 0.7030 ( 1518 PWs) bands (ev): 5.4078 5.4078 7.9173 7.9173 8.2529 8.2529 9.5392 9.5392 9.9931 9.9931 10.3864 10.3864 11.3147 11.3147 11.7177 11.7177 12.0628 12.0628 12.2916 12.2916 12.7915 12.7915 13.3511 13.3511 14.9422 14.9422 16.0227 16.0227 22.0636 22.0636 22.6613 22.6613 k =-0.2457 0.2610 0.6942 ( 1520 PWs) bands (ev): 5.4036 5.4036 7.8796 7.8796 8.3007 8.3007 9.5362 9.5362 9.9762 9.9762 10.4108 10.4108 11.2977 11.2977 11.6682 11.6682 12.0986 12.0986 12.2802 12.2802 12.7983 12.7983 13.3601 13.3601 14.9421 14.9421 16.0375 16.0375 22.1853 22.1853 22.5310 22.5310 k =-0.2517 0.2675 0.6854 ( 1520 PWs) bands (ev): 5.3987 5.3987 7.8428 7.8428 8.3487 8.3487 9.5348 9.5348 9.9573 9.9573 10.4360 10.4360 11.2814 11.2814 11.6190 11.6190 12.1301 12.1301 12.2707 12.2707 12.8065 12.8065 13.3688 13.3688 14.9421 14.9421 16.0583 16.0583 22.2645 22.2645 22.4341 22.4341 k =-0.2578 0.2739 0.6765 ( 1524 PWs) bands (ev): 5.3931 5.3931 7.8073 7.8073 8.3964 8.3964 9.5350 9.5350 9.9371 9.9371 10.4607 10.4607 11.2645 11.2645 11.5737 11.5737 12.1523 12.1523 12.2673 12.2673 12.8154 12.8154 13.3766 13.3766 14.9423 14.9423 16.0851 16.0851 22.1770 22.1770 22.4991 22.4991 k =-0.2638 0.2803 0.6677 ( 1525 PWs) bands (ev): 5.3870 5.3870 7.7732 7.7732 8.4433 8.4433 9.5366 9.5366 9.9164 9.9164 10.4842 10.4842 11.2449 11.2449 11.5356 11.5356 12.1598 12.1598 12.2750 12.2750 12.8245 12.8245 13.3829 13.3829 14.9425 14.9425 16.1181 16.1181 22.0280 22.0280 22.6232 22.6232 k =-0.2699 0.2868 0.6589 ( 1524 PWs) bands (ev): 5.3805 5.3805 7.7407 7.7407 8.4894 8.4894 9.5396 9.5396 9.8956 9.8956 10.5051 10.5051 11.2209 11.2209 11.5077 11.5077 12.1535 12.1535 12.2929 12.2929 12.8332 12.8332 13.3877 13.3877 14.9428 14.9428 16.1571 16.1571 21.8700 21.8700 22.7553 22.7553 k =-0.2759 0.2932 0.6500 ( 1524 PWs) bands (ev): 5.3738 5.3738 7.7100 7.7100 8.5342 8.5342 9.5440 9.5440 9.8754 9.8754 10.5224 10.5224 11.1925 11.1925 11.4912 11.4912 12.1392 12.1392 12.3154 12.3154 12.8411 12.8411 13.3906 13.3906 14.9432 14.9432 16.2018 16.2018 21.7102 21.7102 22.8892 22.8892 k =-0.2820 0.2996 0.6412 ( 1524 PWs) bands (ev): 5.3670 5.3670 7.6810 7.6810 8.5776 8.5776 9.5496 9.5496 9.8561 9.8561 10.5345 10.5345 11.1614 11.1614 11.4859 11.4859 12.1209 12.1209 12.3383 12.3383 12.8479 12.8479 13.3919 13.3919 14.9437 14.9437 16.2517 16.2517 21.5513 21.5513 23.0230 23.0230 k =-0.2880 0.3061 0.6324 ( 1520 PWs) bands (ev): 5.3602 5.3602 7.6540 7.6540 8.6194 8.6194 9.5563 9.5563 9.8382 9.8382 10.5401 10.5401 11.1303 11.1303 11.4898 11.4898 12.1009 12.1009 12.3600 12.3600 12.8531 12.8531 13.3917 13.3917 14.9442 14.9442 16.3063 16.3063 21.3949 21.3949 23.1550 23.1550 k =-0.2941 0.3125 0.6235 ( 1520 PWs) bands (ev): 5.3535 5.3535 7.6289 7.6289 8.6593 8.6593 9.5639 9.5639 9.8221 9.8221 10.5382 10.5382 11.1023 11.1023 11.5012 11.5012 12.0799 12.0799 12.3796 12.3796 12.8567 12.8567 13.3903 13.3903 14.9448 14.9448 16.3646 16.3646 21.2424 21.2424 23.2837 23.2837 k =-0.3002 0.3189 0.6147 ( 1522 PWs) bands (ev): 5.3470 5.3470 7.6058 7.6058 8.6970 8.6970 9.5721 9.5721 9.8085 9.8085 10.5278 10.5278 11.0794 11.0794 11.5182 11.5182 12.0586 12.0586 12.3966 12.3966 12.8585 12.8585 13.3882 13.3882 14.9454 14.9454 16.4257 16.4257 21.0952 21.0952 23.4069 23.4069 k =-0.3062 0.3254 0.6059 ( 1520 PWs) bands (ev): 5.3408 5.3408 7.5848 7.5848 8.7322 8.7322 9.5806 9.5806 9.7977 9.7977 10.5093 10.5093 11.0626 11.0626 11.5395 11.5395 12.0374 12.0374 12.4109 12.4109 12.8585 12.8585 13.3855 13.3855 14.9461 14.9461 16.4884 16.4884 20.9546 20.9546 23.5211 23.5211 k =-0.3123 0.3318 0.5970 ( 1522 PWs) bands (ev): 5.3350 5.3350 7.5658 7.5658 8.7646 8.7646 9.5888 9.5888 9.7903 9.7903 10.4838 10.4838 11.0518 11.0518 11.5640 11.5640 12.0164 12.0164 12.4225 12.4225 12.8570 12.8570 13.3828 13.3828 14.9467 14.9467 16.5514 16.5514 20.8222 20.8222 23.6207 23.6207 k =-0.3183 0.3382 0.5882 ( 1519 PWs) bands (ev): 5.3297 5.3297 7.5490 7.5490 8.7940 8.7940 9.5961 9.5961 9.7867 9.7867 10.4529 10.4529 11.0460 11.0460 11.5906 11.5906 11.9959 11.9959 12.4315 12.4315 12.8542 12.8542 13.3801 13.3801 14.9473 14.9473 16.6132 16.6132 20.6993 20.6993 23.6976 23.6976 k =-0.3244 0.3447 0.5793 ( 1523 PWs) bands (ev): 5.3250 5.3250 7.5344 7.5344 8.8201 8.8201 9.6021 9.6021 9.7873 9.7873 10.4190 10.4190 11.0438 11.0438 11.6182 11.6182 11.9760 11.9760 12.4380 12.4380 12.8505 12.8505 13.3778 13.3778 14.9479 14.9479 16.6721 16.6721 20.5876 20.5876 23.7471 23.7471 k =-0.3304 0.3511 0.5705 ( 1525 PWs) bands (ev): 5.3209 5.3209 7.5220 7.5220 8.8426 8.8426 9.6064 9.6064 9.7918 9.7918 10.3843 10.3843 11.0440 11.0440 11.6460 11.6460 11.9569 11.9569 12.4423 12.4423 12.8464 12.8464 13.3759 13.3759 14.9485 14.9485 16.7264 16.7264 20.4888 20.4888 23.7748 23.7748 k =-0.3365 0.3575 0.5617 ( 1527 PWs) bands (ev): 5.3175 5.3175 7.5118 7.5118 8.8612 8.8612 9.6091 9.6091 9.7993 9.7993 10.3510 10.3510 11.0455 11.0455 11.6726 11.6726 11.9388 11.9388 12.4449 12.4449 12.8423 12.8423 13.3743 13.3743 14.9489 14.9489 16.7741 16.7741 20.4048 20.4048 23.7898 23.7898 k =-0.3425 0.3640 0.5528 ( 1526 PWs) bands (ev): 5.3148 5.3148 7.5039 7.5039 8.8759 8.8759 9.6106 9.6106 9.8084 9.8084 10.3216 10.3216 11.0474 11.0474 11.6970 11.6970 11.9221 11.9221 12.4462 12.4462 12.8386 12.8386 13.3732 13.3732 14.9493 14.9493 16.8137 16.8137 20.3371 20.3371 23.7983 23.7983 k =-0.3486 0.3704 0.5440 ( 1526 PWs) bands (ev): 5.3128 5.3128 7.4983 7.4983 8.8865 8.8865 9.6112 9.6112 9.8170 9.8170 10.2982 10.2982 11.0492 11.0492 11.7173 11.7173 11.9079 11.9079 12.4467 12.4467 12.8358 12.8358 13.3725 13.3725 14.9496 14.9496 16.8433 16.8433 20.2875 20.2875 23.8030 23.8030 k =-0.3547 0.3768 0.5352 ( 1530 PWs) bands (ev): 5.3116 5.3116 7.4949 7.4949 8.8928 8.8928 9.6113 9.6113 9.8233 9.8233 10.2831 10.2831 11.0505 11.0505 11.7312 11.7312 11.8977 11.8977 12.4469 12.4469 12.8340 12.8340 13.3721 13.3721 14.9498 14.9498 16.8617 16.8617 20.2571 20.2571 23.8054 23.8054 k =-0.3607 0.3833 0.5263 ( 1528 PWs) bands (ev): 5.3112 5.3112 7.4939 7.4939 8.8949 8.8949 9.6113 9.6113 9.8255 9.8255 10.2779 10.2779 11.0509 11.0509 11.7363 11.7363 11.8938 11.8938 12.4470 12.4470 12.8334 12.8334 13.3720 13.3720 14.9498 14.9498 16.8680 16.8680 20.2468 20.2468 23.8062 23.8062 k =-0.3607 0.3833 0.5263 ( 1528 PWs) bands (ev): 5.3112 5.3112 7.4939 7.4939 8.8949 8.8949 9.6113 9.6113 9.8255 9.8255 10.2779 10.2779 11.0509 11.0509 11.7363 11.7363 11.8938 11.8938 12.4470 12.4470 12.8334 12.8334 13.3720 13.3720 14.9498 14.9498 16.8680 16.8680 20.2468 20.2468 23.8062 23.8062 k =-0.3545 0.3767 0.5173 ( 1528 PWs) bands (ev): 5.3009 5.3009 7.5736 7.5736 8.8468 8.8468 9.6467 9.6467 9.8303 9.8303 10.2415 10.2415 11.0334 11.0334 11.7423 11.7423 11.8821 11.8821 12.3911 12.3911 12.7863 12.7863 13.3906 13.3906 14.9626 14.9626 16.9627 16.9627 20.2515 20.2515 23.9179 23.9179 k =-0.3483 0.3701 0.5082 ( 1528 PWs) bands (ev): 5.2883 5.2883 7.6552 7.6552 8.7984 8.7984 9.6802 9.6802 9.8358 9.8358 10.2092 10.2092 11.0130 11.0130 11.7418 11.7418 11.8704 11.8704 12.3344 12.3344 12.7414 12.7414 13.4243 13.4243 14.9763 14.9763 17.0574 17.0574 20.2540 20.2540 23.9830 23.9830 k =-0.3421 0.3635 0.4991 ( 1526 PWs) bands (ev): 5.2731 5.2731 7.7384 7.7384 8.7499 8.7499 9.7107 9.7107 9.8403 9.8403 10.1837 10.1837 10.9895 10.9895 11.7323 11.7323 11.8628 11.8628 12.2789 12.2789 12.6971 12.6971 13.4721 13.4721 14.9909 14.9909 17.1521 17.1521 20.2547 20.2547 23.9668 23.9668 k =-0.3358 0.3568 0.4900 ( 1530 PWs) bands (ev): 5.2551 5.2551 7.8227 7.8227 8.7015 8.7015 9.7365 9.7365 9.8422 9.8422 10.1681 10.1681 10.9631 10.9631 11.7138 11.7138 11.8602 11.8602 12.2269 12.2269 12.6530 12.6530 13.5321 13.5321 15.0064 15.0064 17.2467 17.2467 20.2538 20.2538 23.9071 23.9071 k =-0.3296 0.3502 0.4810 ( 1534 PWs) bands (ev): 5.2343 5.2343 7.9078 7.9078 8.6536 8.6536 9.7552 9.7552 9.8408 9.8408 10.1653 10.1653 10.9339 10.9339 11.6883 11.6883 11.8607 11.8607 12.1808 12.1808 12.6094 12.6094 13.6023 13.6023 15.0229 15.0229 17.3414 17.3414 20.2514 20.2514 23.8354 23.8354 k =-0.3234 0.3436 0.4719 ( 1530 PWs) bands (ev): 5.2104 5.2104 7.9930 7.9930 8.6065 8.6065 9.7613 9.7613 9.8402 9.8402 10.1765 10.1765 10.9020 10.9020 11.6581 11.6581 11.8614 11.8614 12.1429 12.1429 12.5672 12.5672 13.6808 13.6808 15.0404 15.0404 17.4360 17.4360 20.2478 20.2478 23.7601 23.7601 k =-0.3172 0.3370 0.4628 ( 1534 PWs) bands (ev): 5.1835 5.1835 8.0776 8.0776 8.5606 8.5606 9.7500 9.7500 9.8460 9.8460 10.2003 10.2003 10.8678 10.8678 11.6246 11.6246 11.8609 11.8609 12.1145 12.1145 12.5275 12.5275 13.7660 13.7660 15.0588 15.0588 17.5304 17.5304 20.2431 20.2431 23.6833 23.6834 k =-0.3110 0.3304 0.4537 ( 1534 PWs) bands (ev): 5.1534 5.1534 8.1605 8.1605 8.5168 8.5168 9.7247 9.7247 9.8571 9.8571 10.2341 10.2341 10.8318 10.8318 11.5888 11.5888 11.8593 11.8593 12.0953 12.0953 12.4917 12.4917 13.8566 13.8566 15.0784 15.0784 17.6248 17.6248 20.2374 20.2374 23.6061 23.6061 k =-0.3047 0.3238 0.4447 ( 1536 PWs) bands (ev): 5.1201 5.1201 8.2393 8.2393 8.4768 8.4768 9.6914 9.6914 9.8694 9.8694 10.2752 10.2752 10.7942 10.7942 11.5520 11.5520 11.8578 11.8578 12.0833 12.0833 12.4612 12.4612 13.9517 13.9517 15.0990 15.0990 17.7190 17.7190 20.2307 20.2307 23.5284 23.5284 k =-0.2985 0.3172 0.4356 ( 1536 PWs) bands (ev): 5.0835 5.0835 8.3068 8.3068 8.4474 8.4474 9.6540 9.6540 9.8806 9.8806 10.3216 10.3216 10.7554 10.7554 11.5154 11.5154 11.8582 11.8582 12.0757 12.0757 12.4374 12.4374 14.0504 14.0504 15.1208 15.1208 17.8130 17.8130 20.2231 20.2231 23.4503 23.4503 k =-0.2923 0.3106 0.4265 ( 1534 PWs) bands (ev): 5.0437 5.0437 8.3361 8.3361 8.4548 8.4548 9.6145 9.6145 9.8894 9.8894 10.3717 10.3717 10.7158 10.7158 11.4810 11.4810 11.8621 11.8621 12.0700 12.0700 12.4217 12.4217 14.1520 14.1520 15.1439 15.1439 17.9068 17.9068 20.2147 20.2147 23.3718 23.3718 k =-0.2861 0.3040 0.4174 ( 1534 PWs) bands (ev): 5.0007 5.0007 8.3185 8.3185 8.5070 8.5070 9.5741 9.5741 9.8950 9.8950 10.4241 10.4241 10.6759 10.6759 11.4506 11.4506 11.8705 11.8705 12.0644 12.0644 12.4147 12.4147 14.2559 14.2559 15.1683 15.1683 18.0004 18.0004 20.2054 20.2054 23.2926 23.2926 k =-0.2799 0.2974 0.4084 ( 1534 PWs) bands (ev): 4.9546 4.9546 8.2876 8.2876 8.5692 8.5692 9.5338 9.5338 9.8966 9.8966 10.4765 10.4765 10.6375 10.6375 11.4258 11.4258 11.8839 11.8839 12.0584 12.0584 12.4163 12.4163 14.3616 14.3616 15.1944 15.1944 18.0936 18.0936 20.1951 20.1951 23.2124 23.2124 k =-0.2736 0.2908 0.3993 ( 1530 PWs) bands (ev): 4.9055 4.9055 8.2551 8.2551 8.6289 8.6289 9.4942 9.4942 9.8937 9.8937 10.5177 10.5177 10.6113 10.6113 11.4082 11.4082 11.9029 11.9029 12.0525 12.0525 12.4257 12.4257 14.4686 14.4686 15.2222 15.2222 18.1866 18.1866 20.1838 20.1838 23.1309 23.1309 k =-0.2674 0.2842 0.3902 ( 1532 PWs) bands (ev): 4.8535 4.8535 8.2236 8.2236 8.6823 8.6823 9.4559 9.4559 9.8862 9.8862 10.5110 10.5110 10.6337 10.6337 11.3987 11.3987 11.9276 11.9276 12.0478 12.0478 12.4419 12.4419 14.5765 14.5765 15.2521 15.2521 18.2791 18.2791 20.1713 20.1713 23.0480 23.0480 k =-0.2612 0.2775 0.3811 ( 1528 PWs) bands (ev): 4.7988 4.7988 8.1938 8.1938 8.7275 8.7275 9.4194 9.4194 9.8739 9.8739 10.4706 10.4706 10.6907 10.6907 11.3978 11.3978 11.9581 11.9581 12.0455 12.0455 12.4638 12.4638 14.6846 14.6846 15.2846 15.2846 18.3712 18.3712 20.1576 20.1576 22.9632 22.9632 k =-0.2550 0.2709 0.3721 ( 1524 PWs) bands (ev): 4.7416 4.7416 8.1662 8.1662 8.7634 8.7634 9.3850 9.3850 9.8570 9.8570 10.4214 10.4214 10.7577 10.7577 11.4055 11.4055 11.9932 11.9932 12.0481 12.0481 12.4902 12.4902 14.7921 14.7921 15.3202 15.3202 18.4628 18.4628 20.1423 20.1423 22.8765 22.8765 k =-0.2488 0.2643 0.3630 ( 1524 PWs) bands (ev): 4.6821 4.6821 8.1409 8.1409 8.7891 8.7891 9.3529 9.3529 9.8360 9.8360 10.3682 10.3682 10.8303 10.8303 11.4212 11.4212 12.0249 12.0249 12.0643 12.0643 12.5204 12.5204 14.8982 14.8982 15.3599 15.3599 18.5539 18.5539 20.1253 20.1253 22.7875 22.7875 k =-0.2426 0.2577 0.3539 ( 1524 PWs) bands (ev): 4.6206 4.6206 8.1180 8.1180 8.8044 8.8044 9.3229 9.3229 9.8112 9.8112 10.3121 10.3121 10.9077 10.9077 11.4443 11.4443 12.0410 12.0410 12.1065 12.1065 12.5538 12.5538 15.0014 15.0014 15.4051 15.4051 18.6443 18.6443 20.1064 20.1064 22.6962 22.6962 k =-0.2363 0.2511 0.3448 ( 1520 PWs) bands (ev): 4.5572 4.5572 8.0974 8.0974 8.8096 8.8096 9.2946 9.2946 9.7834 9.7834 10.2539 10.2539 10.9896 10.9896 11.4740 11.4740 12.0527 12.0527 12.1637 12.1637 12.5901 12.5901 15.0999 15.0999 15.4576 15.4576 18.7340 18.7340 20.0852 20.0852 22.6031 22.6031 k =-0.2301 0.2445 0.3358 ( 1520 PWs) bands (ev): 4.4922 4.4922 8.0792 8.0792 8.8056 8.8056 9.2672 9.2672 9.7529 9.7529 10.1941 10.1941 11.0760 11.0760 11.5094 11.5094 12.0659 12.0659 12.2296 12.2296 12.6289 12.6289 15.1915 15.1915 15.5197 15.5197 18.8230 18.8230 20.0614 20.0614 22.5082 22.5082 k =-0.2239 0.2379 0.3267 ( 1520 PWs) bands (ev): 4.4259 4.4259 8.0633 8.0633 8.7938 8.7938 9.2399 9.2399 9.7204 9.7204 10.1331 10.1331 11.1667 11.1667 11.5497 11.5497 12.0816 12.0816 12.3027 12.3027 12.6702 12.6702 15.2743 15.2743 15.5932 15.5932 18.9111 18.9111 20.0346 20.0346 22.4124 22.4124 k =-0.2177 0.2313 0.3176 ( 1520 PWs) bands (ev): 4.3586 4.3586 8.0497 8.0497 8.7755 8.7755 9.2117 9.2117 9.6863 9.6863 10.0713 10.0713 11.2612 11.2612 11.5940 11.5940 12.0999 12.0999 12.3820 12.3820 12.7140 12.7140 15.3482 15.3482 15.6786 15.6786 18.9982 18.9982 20.0046 20.0046 22.3162 22.3162 k =-0.2115 0.2247 0.3085 ( 1524 PWs) bands (ev): 4.2905 4.2905 8.0382 8.0382 8.7522 8.7522 9.1821 9.1821 9.6510 9.6510 10.0091 10.0091 11.3592 11.3592 11.6418 11.6418 12.1205 12.1205 12.4666 12.4666 12.7603 12.7603 15.4150 15.4150 15.7742 15.7742 19.0843 19.0843 19.9709 19.9709 22.2204 22.2204 k =-0.2052 0.2181 0.2995 ( 1522 PWs) bands (ev): 4.2218 4.2218 8.0288 8.0288 8.7251 8.7251 9.1506 9.1506 9.6149 9.6149 9.9468 9.9468 11.4602 11.4602 11.6922 11.6922 12.1434 12.1434 12.5554 12.5554 12.8096 12.8096 15.4774 15.4774 15.8774 15.8774 19.1693 19.1693 19.9334 19.9334 22.1254 22.1254 k =-0.1990 0.2115 0.2904 ( 1522 PWs) bands (ev): 4.1528 4.1528 8.0212 8.0212 8.6953 8.6953 9.1172 9.1172 9.5783 9.5783 9.8846 9.8846 11.5637 11.5637 11.7449 11.7449 12.1682 12.1682 12.6468 12.6468 12.8625 12.8625 15.5379 15.5379 15.9861 15.9861 19.2530 19.2530 19.8917 19.8917 22.0317 22.0317 k =-0.1928 0.2049 0.2813 ( 1522 PWs) bands (ev): 4.0838 4.0838 8.0155 8.0155 8.6634 8.6634 9.0819 9.0819 9.5415 9.5415 9.8228 9.8228 11.6690 11.6690 11.7993 11.7993 12.1947 12.1947 12.7389 12.7389 12.9203 12.9203 15.5986 15.5986 16.0984 16.0984 19.3354 19.3354 19.8458 19.8458 21.9392 21.9392 k =-0.1866 0.1982 0.2722 ( 1522 PWs) bands (ev): 4.0149 4.0149 8.0115 8.0115 8.6301 8.6301 9.0451 9.0451 9.5047 9.5047 9.7615 9.7615 11.7752 11.7752 11.8555 11.8555 12.2229 12.2229 12.8287 12.8287 12.9850 12.9850 15.6608 15.6608 16.2133 16.2133 19.4163 19.4163 19.7957 19.7957 21.8478 21.8478 k =-0.1804 0.1916 0.2632 ( 1522 PWs) bands (ev): 3.9465 3.9465 8.0090 8.0090 8.5958 8.5958 9.0071 9.0071 9.4680 9.4680 9.7010 9.7010 11.8784 11.8784 11.9162 11.9162 12.2525 12.2525 12.9127 12.9127 13.0591 13.0591 15.7258 15.7258 16.3300 16.3300 19.4956 19.4956 19.7413 19.7413 21.7572 21.7572 k =-0.1741 0.1850 0.2541 ( 1514 PWs) bands (ev): 3.8786 3.8786 8.0078 8.0078 8.5609 8.5609 8.9684 8.9684 9.4317 9.4317 9.6413 9.6413 11.9568 11.9568 12.0024 12.0024 12.2834 12.2834 12.9894 12.9894 13.1434 13.1434 15.7944 15.7944 16.4479 16.4479 19.5731 19.5731 19.6831 19.6831 21.6668 21.6668 k =-0.1679 0.1784 0.2450 ( 1510 PWs) bands (ev): 3.8116 3.8116 8.0079 8.0079 8.5255 8.5255 8.9295 8.9295 9.3958 9.3958 9.5827 9.5827 12.0155 12.0155 12.1079 12.1079 12.3156 12.3156 13.0602 13.0602 13.2355 13.2355 15.8674 15.8674 16.5667 16.5667 19.6209 19.6209 19.6491 19.6491 21.5762 21.5762 k =-0.1617 0.1718 0.2359 ( 1510 PWs) bands (ev): 3.7456 3.7456 8.0091 8.0091 8.4900 8.4900 8.8907 8.8907 9.3605 9.3605 9.5252 9.5252 12.0710 12.0710 12.2146 12.2146 12.3496 12.3496 13.1279 13.1279 13.3318 13.3318 15.9452 15.9452 16.6861 16.6861 19.5560 19.5560 19.7226 19.7226 21.4850 21.4850 k =-0.1555 0.1652 0.2269 ( 1514 PWs) bands (ev): 3.6808 3.6808 8.0111 8.0111 8.4544 8.4544 8.8525 8.8525 9.3258 9.3258 9.4690 9.4690 12.1249 12.1249 12.3172 12.3172 12.3883 12.3883 13.1948 13.1948 13.4293 13.4293 16.0284 16.0284 16.8061 16.8061 19.4883 19.4883 19.7941 19.7941 21.3931 21.3931 k =-0.1493 0.1586 0.2178 ( 1518 PWs) bands (ev): 3.6174 3.6174 8.0139 8.0139 8.4188 8.4188 8.8154 8.8154 9.2919 9.2919 9.4141 9.4141 12.1773 12.1773 12.3946 12.3946 12.4518 12.4518 13.2623 13.2623 13.5257 13.5257 16.1173 16.1173 16.9263 16.9263 19.4188 19.4188 19.8633 19.8633 21.3003 21.3003 k =-0.1430 0.1520 0.2087 ( 1514 PWs) bands (ev): 3.5554 3.5554 8.0173 8.0173 8.3835 8.3835 8.7797 8.7797 9.2587 9.2587 9.3608 9.3608 12.2282 12.2282 12.4378 12.4378 12.5481 12.5481 13.3313 13.3313 13.6196 13.6196 16.2120 16.2120 17.0468 17.0468 19.3480 19.3480 19.9299 19.9299 21.2068 21.2068 k =-0.1368 0.1454 0.1996 ( 1514 PWs) bands (ev): 3.4952 3.4952 8.0209 8.0209 8.3485 8.3485 8.7458 8.7458 9.2263 9.2263 9.3092 9.3092 12.2772 12.2772 12.4742 12.4742 12.6493 12.6493 13.4023 13.4023 13.7100 13.7100 16.3126 16.3126 17.1672 17.1672 19.2768 19.2768 19.9937 19.9937 21.1128 21.1128 k =-0.1306 0.1388 0.1906 ( 1512 PWs) bands (ev): 3.4368 3.4368 8.0247 8.0247 8.3140 8.3140 8.7138 8.7138 9.1946 9.1946 9.2595 9.2595 12.3244 12.3244 12.5091 12.5091 12.7490 12.7490 13.4758 13.4758 13.7960 13.7960 16.4189 16.4189 17.2875 17.2875 19.2061 19.2061 20.0543 20.0543 21.0187 21.0187 k =-0.1244 0.1322 0.1815 ( 1510 PWs) bands (ev): 3.3803 3.3803 8.0284 8.0284 8.2802 8.2802 8.6841 8.6841 9.1633 9.1633 9.2121 9.2121 12.3695 12.3695 12.5435 12.5435 12.8457 12.8457 13.5521 13.5521 13.8773 13.8773 16.5304 16.5304 17.4074 17.4074 19.1367 19.1367 20.1115 20.1115 20.9246 20.9246 k =-0.1182 0.1256 0.1724 ( 1506 PWs) bands (ev): 3.3259 3.3259 8.0315 8.0315 8.2475 8.2475 8.6568 8.6568 9.1315 9.1315 9.1679 9.1679 12.4125 12.4125 12.5776 12.5776 12.9385 12.9385 13.6314 13.6314 13.9534 13.9534 16.6463 16.6463 17.5265 17.5265 19.0697 19.0697 20.1644 20.1644 20.8314 20.8314 k =-0.1119 0.1189 0.1633 ( 1508 PWs) bands (ev): 3.2736 3.2736 8.0337 8.0337 8.2163 8.2163 8.6320 8.6320 9.0977 9.0977 9.1289 9.1289 12.4532 12.4532 12.6112 12.6112 13.0269 13.0269 13.7137 13.7137 14.0242 14.0242 16.7658 16.7658 17.6441 17.6441 19.0065 19.0065 20.2121 20.2121 20.7397 20.7397 k =-0.1057 0.1123 0.1543 ( 1508 PWs) bands (ev): 3.2236 3.2236 8.0343 8.0343 8.1873 8.1873 8.6097 8.6097 9.0605 9.0605 9.0961 9.0961 12.4916 12.4916 12.6443 12.6443 13.1102 13.1102 13.7989 13.7989 14.0898 14.0898 16.8876 16.8876 17.7592 17.7592 18.9488 18.9488 20.2527 20.2527 20.6511 20.6511 k =-0.0995 0.1057 0.1452 ( 1512 PWs) bands (ev): 3.1761 3.1761 8.0323 8.0323 8.1616 8.1616 8.5900 8.5900 9.0218 9.0218 9.0681 9.0681 12.5276 12.5276 12.6769 12.6769 13.1882 13.1882 13.8866 13.8866 14.1504 14.1504 17.0102 17.0102 17.8699 17.8699 18.8989 18.8989 20.2822 20.2822 20.5689 20.5689 k =-0.0933 0.0991 0.1361 ( 1512 PWs) bands (ev): 3.1310 3.1310 8.0265 8.0265 8.1404 8.1404 8.5728 8.5728 8.9835 8.9835 9.0429 9.0429 12.5612 12.5612 12.7087 12.7087 13.2607 13.2607 13.9762 13.9762 14.2064 14.2064 17.1320 17.1320 17.9733 17.9733 18.8605 18.8605 20.2921 20.2921 20.5009 20.5009 k =-0.0871 0.0925 0.1270 ( 1506 PWs) bands (ev): 3.0884 3.0884 8.0159 8.0159 8.1249 8.1249 8.5581 8.5581 8.9465 8.9465 9.0198 9.0198 12.5924 12.5924 12.7397 12.7397 13.3277 13.3277 14.0664 14.0664 14.2586 14.2586 17.2510 17.2510 18.0645 18.0645 18.8387 18.8387 20.2693 20.2693 20.4583 20.4583 k =-0.0809 0.0859 0.1180 ( 1506 PWs) bands (ev): 3.0485 3.0485 8.0006 8.0006 8.1150 8.1150 8.5457 8.5457 8.9111 8.9111 8.9984 8.9984 12.6213 12.6213 12.7696 12.7696 13.3894 13.3894 14.1554 14.1554 14.3083 14.3083 17.3653 17.3653 18.1371 18.1371 18.8402 18.8402 20.2163 20.2163 20.4363 20.4363 k =-0.0746 0.0793 0.1089 ( 1511 PWs) bands (ev): 3.0112 3.0112 7.9820 7.9820 8.1093 8.1093 8.5355 8.5355 8.8777 8.8777 8.9786 8.9786 12.6478 12.6478 12.7983 12.7983 13.4458 13.4458 14.2391 14.2391 14.3590 14.3590 17.4728 17.4728 18.1850 18.1850 18.8708 18.8708 20.1515 20.1515 20.4154 20.4154 k =-0.0684 0.0727 0.0998 ( 1507 PWs) bands (ev): 2.9768 2.9768 7.9621 7.9621 8.1064 8.1064 8.5274 8.5274 8.8463 8.8463 8.9603 8.9603 12.6720 12.6720 12.8255 12.8255 13.4971 13.4971 14.3105 14.3105 14.4170 14.4170 17.5715 17.5715 18.2074 18.2074 18.9311 18.9311 20.0871 20.0871 20.3859 20.3859 k =-0.0622 0.0661 0.0907 ( 1507 PWs) bands (ev): 2.9451 2.9451 7.9420 7.9420 8.1050 8.1050 8.5212 8.5212 8.8171 8.8171 8.9436 8.9436 12.6939 12.6939 12.8512 12.8512 13.5435 13.5435 14.3635 14.3635 14.4875 14.4875 17.6594 17.6594 18.2093 18.2093 19.0150 19.0150 20.0292 20.0292 20.3496 20.3496 k =-0.0560 0.0595 0.0817 ( 1503 PWs) bands (ev): 2.9163 2.9163 7.9227 7.9227 8.1043 8.1043 8.5165 8.5165 8.7901 8.7901 8.9285 8.9285 12.7136 12.7136 12.8750 12.8750 13.5851 13.5851 14.4020 14.4020 14.5660 14.5660 17.7351 17.7351 18.1979 18.1979 19.1137 19.1137 19.9814 19.9814 20.3113 20.3113 k =-0.0498 0.0529 0.0726 ( 1505 PWs) bands (ev): 2.8905 2.8905 7.9046 7.9046 8.1041 8.1041 8.5134 8.5134 8.7654 8.7654 8.9148 8.9148 12.7311 12.7311 12.8969 12.8969 13.6222 13.6222 14.4317 14.4317 14.6455 14.6455 17.7976 17.7976 18.1796 18.1796 19.2184 19.2184 19.9464 19.9464 20.2755 20.2755 k =-0.0435 0.0463 0.0635 ( 1505 PWs) bands (ev): 2.8675 2.8675 7.8881 7.8881 8.1040 8.1040 8.5114 8.5114 8.7431 8.7431 8.9028 8.9028 12.7465 12.7465 12.9166 12.9166 13.6547 13.6547 14.4558 14.4558 14.7218 14.7218 17.8466 17.8466 18.1586 18.1586 19.3214 19.3214 19.9264 19.9264 20.2448 20.2448 k =-0.0373 0.0396 0.0544 ( 1505 PWs) bands (ev): 2.8476 2.8476 7.8735 7.8735 8.1040 8.1040 8.5105 8.5105 8.7233 8.7233 8.8923 8.8923 12.7598 12.7598 12.9340 12.9340 13.6827 13.6827 14.4755 14.4755 14.7926 14.7926 17.8826 17.8826 18.1376 18.1376 19.4156 19.4156 19.9233 19.9233 20.2211 20.2211 k =-0.0311 0.0330 0.0454 ( 1507 PWs) bands (ev): 2.8307 2.8307 7.8610 7.8610 8.1040 8.1040 8.5103 8.5103 8.7061 8.7061 8.8834 8.8834 12.7710 12.7710 12.9490 12.9490 13.7063 13.7063 14.4917 14.4917 14.8560 14.8560 17.9070 17.9070 18.1183 18.1183 19.4944 19.4944 19.9379 19.9379 20.2049 20.2049 k =-0.0249 0.0264 0.0363 ( 1507 PWs) bands (ev): 2.8168 2.8168 7.8505 7.8505 8.1041 8.1041 8.5106 8.5106 8.6917 8.6917 8.8761 8.8761 12.7802 12.7802 12.9614 12.9614 13.7256 13.7256 14.5045 14.5045 14.9103 14.9103 17.9219 17.9219 18.1018 18.1018 19.5535 19.5535 19.9683 19.9683 20.1962 20.1962 k =-0.0187 0.0198 0.0272 ( 1507 PWs) bands (ev): 2.8060 2.8060 7.8423 7.8423 8.1041 8.1041 8.5113 8.5113 8.6802 8.6802 8.8704 8.8704 12.7873 12.7873 12.9711 12.9711 13.7406 13.7406 14.5143 14.5143 14.9543 14.9543 17.9296 17.9296 18.0888 18.0888 19.5931 19.5931 20.0080 20.0080 20.1937 20.1937 k =-0.0124 0.0132 0.0181 ( 1507 PWs) bands (ev): 2.7982 2.7982 7.8365 7.8365 8.1042 8.1042 8.5119 8.5119 8.6718 8.6718 8.8664 8.8664 12.7923 12.7923 12.9782 12.9782 13.7513 13.7513 14.5212 14.5212 14.9866 14.9866 17.9329 17.9329 18.0795 18.0795 19.6171 19.6171 20.0470 20.0470 20.1951 20.1951 k =-0.0062 0.0066 0.0091 ( 1507 PWs) bands (ev): 2.7936 2.7936 7.8329 7.8329 8.1042 8.1042 8.5124 8.5124 8.6667 8.6667 8.8639 8.8639 12.7954 12.7954 12.9824 12.9824 13.7577 13.7577 14.5253 14.5253 15.0064 15.0064 17.9339 17.9339 18.0739 18.0739 19.6297 19.6297 20.0751 20.0751 20.1978 20.1978 k = 0.0000 0.0000 0.0000 ( 1515 PWs) bands (ev): 2.7920 2.7920 7.8317 7.8317 8.1042 8.1042 8.5126 8.5126 8.6650 8.6650 8.8631 8.8631 12.7964 12.7964 12.9838 12.9838 13.7599 13.7599 14.5267 14.5267 15.0131 15.0131 17.9341 17.9341 18.0721 18.0721 19.6336 19.6336 20.0854 20.0854 20.1991 20.1991 k = 0.0000 0.0000 0.0000 ( 1515 PWs) bands (ev): 2.7920 2.7920 7.8317 7.8317 8.1042 8.1042 8.5126 8.5126 8.6650 8.6650 8.8631 8.8631 12.7964 12.7964 12.9838 12.9838 13.7599 13.7599 14.5267 14.5267 15.0131 15.0131 17.9341 17.9341 18.0721 18.0721 19.6336 19.6336 20.0854 20.0854 20.1991 20.1991 k = 0.0093 0.0087-0.0000 ( 1515 PWs) bands (ev): 2.7935 2.7935 7.8309 7.8309 8.1054 8.1054 8.5136 8.5136 8.6654 8.6654 8.8644 8.8644 12.7949 12.7949 12.9830 12.9830 13.7585 13.7585 14.5197 14.5197 15.0129 15.0129 17.9342 17.9342 18.0732 18.0732 19.6302 19.6302 20.0749 20.0749 20.1795 20.1795 k = 0.0185 0.0174-0.0000 ( 1515 PWs) bands (ev): 2.7981 2.7981 7.8284 7.8284 8.1092 8.1092 8.5166 8.5166 8.6665 8.6665 8.8681 8.8681 12.7906 12.7906 12.9807 12.9807 13.7542 13.7542 14.4988 14.4988 15.0126 15.0126 17.9345 17.9345 18.0764 18.0764 19.6198 19.6198 20.0455 20.0455 20.1269 20.1269 k = 0.0278 0.0261-0.0000 ( 1515 PWs) bands (ev): 2.8056 2.8056 7.8243 7.8243 8.1155 8.1155 8.5215 8.5215 8.6683 8.6683 8.8743 8.8743 12.7834 12.7834 12.9768 12.9768 13.7470 13.7470 14.4648 14.4648 15.0119 15.0119 17.9343 17.9343 18.0815 18.0815 19.6028 19.6028 20.0019 20.0019 20.0526 20.0526 k = 0.0370 0.0349-0.0000 ( 1515 PWs) bands (ev): 2.8162 2.8162 7.8185 7.8185 8.1243 8.1243 8.5286 8.5286 8.6709 8.6709 8.8830 8.8830 12.7734 12.7734 12.9712 12.9712 13.7366 13.7366 14.4187 14.4187 15.0110 15.0110 17.9326 17.9326 18.0880 18.0880 19.5799 19.5799 19.9494 19.9494 19.9653 19.9653 k = 0.0463 0.0436-0.0000 ( 1507 PWs) bands (ev): 2.8298 2.8298 7.8110 7.8110 8.1357 8.1357 8.5379 8.5379 8.6742 8.6742 8.8939 8.8939 12.7606 12.7606 12.9640 12.9640 13.7226 13.7226 14.3619 14.3619 15.0099 15.0099 17.9282 17.9282 18.0953 18.0953 19.5516 19.5516 19.8694 19.8694 19.8932 19.8932 k = 0.0556 0.0523-0.0000 ( 1519 PWs) bands (ev): 2.8463 2.8463 7.8018 7.8018 8.1495 8.1495 8.5495 8.5495 8.6782 8.6782 8.9071 8.9071 12.7452 12.7452 12.9551 12.9551 13.7044 13.7044 14.2962 14.2962 15.0086 15.0086 17.9196 17.9196 18.1026 18.1026 19.5191 19.5191 19.7685 19.7685 19.8360 19.8360 k = 0.0648 0.0610 0.0000 ( 1519 PWs) bands (ev): 2.8657 2.8657 7.7908 7.7908 8.1657 8.1657 8.5635 8.5635 8.6829 8.6829 8.9225 8.9225 12.7272 12.7272 12.9444 12.9444 13.6809 13.6809 14.2243 14.2243 15.0070 15.0070 17.9054 17.9054 18.1087 18.1087 19.4834 19.4834 19.6639 19.6639 19.7809 19.7809 k = 0.0741 0.0697-0.0000 ( 1507 PWs) bands (ev): 2.8881 2.8881 7.7781 7.7781 8.1845 8.1845 8.5800 8.5800 8.6883 8.6883 8.9400 8.9400 12.7067 12.7067 12.9318 12.9318 13.6504 13.6504 14.1490 14.1490 15.0052 15.0052 17.8843 17.8843 18.1121 18.1121 19.4451 19.4451 19.5577 19.5577 19.7299 19.7299 k = 0.0833 0.0784-0.0000 ( 1507 PWs) bands (ev): 2.9134 2.9134 7.7636 7.7636 8.2056 8.2056 8.5990 8.5990 8.6944 8.6944 8.9595 8.9595 12.6838 12.6838 12.9173 12.9173 13.6104 13.6104 14.0743 14.0743 15.0032 15.0032 17.8551 17.8551 18.1112 18.1112 19.3988 19.3988 19.4579 19.4579 19.6843 19.6843 k = 0.0926 0.0871-0.0000 ( 1503 PWs) bands (ev): 2.9415 2.9415 7.7475 7.7475 8.2292 8.2292 8.6207 8.6207 8.7011 8.7011 8.9808 8.9808 12.6588 12.6588 12.9007 12.9007 13.5580 13.5580 14.0045 14.0045 15.0010 15.0010 17.8170 17.8170 18.1040 18.1040 19.3140 19.3140 19.3979 19.3979 19.6450 19.6450 k = 0.1019 0.0959 0.0000 ( 1511 PWs) bands (ev): 2.9724 2.9724 7.7296 7.7296 8.2552 8.2552 8.6451 8.6451 8.7085 8.7085 9.0039 9.0039 12.6317 12.6317 12.8821 12.8821 13.4906 13.4906 13.9436 13.9436 14.9985 14.9985 17.7697 17.7697 18.0881 18.0881 19.2034 19.2034 19.3677 19.3677 19.6123 19.6123 k = 0.1111 0.1046-0.0000 ( 1512 PWs) bands (ev): 3.0060 3.0060 7.7102 7.7102 8.2835 8.2835 8.6722 8.6722 8.7166 8.7166 9.0287 9.0287 12.6026 12.6026 12.8612 12.8612 13.4078 13.4078 13.8932 13.8932 14.9959 14.9959 17.7130 17.7130 18.0618 18.0618 19.0873 19.0873 19.3497 19.3497 19.5861 19.5861 k = 0.1204 0.1133-0.0000 ( 1512 PWs) bands (ev): 3.0424 3.0424 7.6893 7.6893 8.3142 8.3142 8.7020 8.7020 8.7252 8.7252 9.0550 9.0550 12.5718 12.5718 12.8380 12.8380 13.3111 13.3111 13.8530 13.8530 14.9931 14.9931 17.6475 17.6475 18.0234 18.0234 18.9686 18.9686 19.3431 19.3431 19.5660 19.5660 k = 0.1296 0.1220 0.0000 ( 1512 PWs) bands (ev): 3.0814 3.0814 7.6669 7.6669 8.3472 8.3472 8.7343 8.7343 8.7347 8.7347 9.0829 9.0829 12.5394 12.5394 12.8122 12.8122 13.2038 13.2038 13.8211 13.8211 14.9902 14.9902 17.5737 17.5737 17.9721 17.9721 18.8481 18.8481 19.3485 19.3485 19.5513 19.5513 k = 0.1389 0.1307-0.0000 ( 1512 PWs) bands (ev): 3.1230 3.1230 7.6432 7.6432 8.3824 8.3824 8.7443 8.7443 8.7697 8.7697 9.1121 9.1121 12.5056 12.5056 12.7834 12.7834 13.0893 13.0893 13.7953 13.7953 14.9870 14.9870 17.4923 17.4923 17.9080 17.9080 18.7261 18.7261 19.3662 19.3662 19.5413 19.5413 k = 0.1481 0.1394-0.0000 ( 1512 PWs) bands (ev): 3.1671 3.1671 7.6182 7.6182 8.4199 8.4199 8.7548 8.7548 8.8076 8.8076 9.1426 9.1426 12.4704 12.4704 12.7502 12.7502 12.9713 12.9713 13.7742 13.7742 14.9837 14.9837 17.4044 17.4044 17.8320 17.8320 18.6028 18.6028 19.3955 19.3955 19.5350 19.5350 k = 0.1574 0.1481 0.0000 ( 1512 PWs) bands (ev): 3.2136 3.2136 7.5920 7.5920 8.4594 8.4594 8.7658 8.7658 8.8480 8.8480 9.1743 9.1743 12.4341 12.4341 12.7085 12.7085 12.8562 12.8562 13.7565 13.7565 14.9803 14.9803 17.3106 17.3106 17.7452 17.7452 18.4783 18.4783 19.4358 19.4358 19.5318 19.5318 k = 0.1667 0.1569-0.0000 ( 1508 PWs) bands (ev): 3.2625 3.2625 7.5647 7.5647 8.5010 8.5010 8.7774 8.7774 8.8910 8.8910 9.2071 9.2071 12.3969 12.3969 12.6435 12.6435 12.7600 12.7600 13.7415 13.7415 14.9767 14.9767 17.2120 17.2120 17.6493 17.6493 18.3528 18.3528 19.4857 19.4857 19.5308 19.5308 k = 0.1759 0.1656-0.0000 ( 1508 PWs) bands (ev): 3.3137 3.3137 7.5365 7.5365 8.5444 8.5444 8.7897 8.7897 8.9364 8.9364 9.2408 9.2408 12.3589 12.3589 12.5417 12.5417 12.6976 12.6976 13.7287 13.7287 14.9730 14.9730 17.1091 17.1091 17.5458 17.5458 18.2264 18.2264 19.5315 19.5315 19.5441 19.5441 k = 0.1852 0.1743 0.0000 ( 1508 PWs) bands (ev): 3.3670 3.3670 7.5074 7.5074 8.5896 8.5896 8.8027 8.8027 8.9841 8.9841 9.2754 9.2754 12.3202 12.3202 12.4207 12.4207 12.6524 12.6524 13.7177 13.7177 14.9691 14.9691 17.0029 17.0029 17.4363 17.4363 18.0991 18.0991 19.5333 19.5333 19.6099 19.6099 k = 0.1944 0.1830-0.0000 ( 1508 PWs) bands (ev): 3.4225 3.4225 7.4775 7.4775 8.6362 8.6362 8.8166 8.8166 9.0342 9.0342 9.3108 9.3108 12.2810 12.2810 12.2942 12.2942 12.6115 12.6115 13.7082 13.7082 14.9650 14.9650 16.8938 16.8938 17.3220 17.3220 17.9712 17.9712 19.5359 19.5359 19.6819 19.6819 k = 0.2037 0.1917 0.0000 ( 1516 PWs) bands (ev): 3.4800 3.4800 7.4469 7.4469 8.6837 8.6837 8.8319 8.8319 9.0864 9.0864 9.3468 9.3468 12.1663 12.1663 12.2416 12.2416 12.5715 12.5715 13.7000 13.7000 14.9608 14.9608 16.7824 16.7824 17.2042 17.2042 17.8427 17.8427 19.5388 19.5388 19.7593 19.7593 k = 0.2130 0.2004-0.0000 ( 1524 PWs) bands (ev): 3.5393 3.5393 7.4156 7.4156 8.7311 8.7311 8.8495 8.8495 9.1406 9.1406 9.3834 9.3834 12.0389 12.0389 12.2019 12.2019 12.5313 12.5313 13.6930 13.6930 14.9564 14.9564 16.6692 16.6692 17.0840 17.0840 17.7137 17.7137 19.5419 19.5419 19.8413 19.8413 k = 0.2222 0.2091-0.0000 ( 1524 PWs) bands (ev): 3.6005 3.6005 7.3838 7.3838 8.7760 8.7760 8.8715 8.8715 9.1967 9.1967 9.4204 9.4204 11.9127 11.9127 12.1621 12.1621 12.4907 12.4907 13.6869 13.6869 14.9519 14.9519 16.5547 16.5547 16.9622 16.9622 17.5845 17.5845 19.5449 19.5449 19.9272 19.9272 k = 0.2315 0.2179 0.0000 ( 1516 PWs) bands (ev): 3.6633 3.6633 7.3516 7.3516 8.8144 8.8144 8.9019 8.9019 9.2546 9.2546 9.4579 9.4579 11.7885 11.7885 12.1225 12.1225 12.4497 12.4497 13.6817 13.6817 14.9472 14.9472 16.4392 16.4392 16.8397 16.8397 17.4551 17.4551 19.5478 19.5478 20.0162 20.0162 k = 0.2407 0.2266-0.0000 ( 1516 PWs) bands (ev): 3.7277 3.7277 7.3190 7.3190 8.8433 8.8433 8.9435 8.9435 9.3138 9.3138 9.4957 9.4957 11.6666 11.6666 12.0830 12.0830 12.4082 12.4082 13.6773 13.6773 14.9422 14.9422 16.3231 16.3231 16.7172 16.7172 17.3259 17.3259 19.5504 19.5504 20.1079 20.1079 k = 0.2500 0.2353 0.0000 ( 1516 PWs) bands (ev): 3.7934 3.7934 7.2860 7.2860 8.8651 8.8651 8.9938 8.9938 9.3742 9.3742 9.5341 9.5341 11.5476 11.5476 12.0439 12.0439 12.3664 12.3664 13.6735 13.6735 14.9370 14.9370 16.2067 16.2067 16.5954 16.5954 17.1968 17.1968 19.5527 19.5527 20.2016 20.2016 k = 0.2593 0.2440 0.0000 ( 1516 PWs) bands (ev): 3.8605 3.8605 7.2528 7.2528 8.8830 8.8830 9.0493 9.0493 9.4351 9.4351 9.5732 9.5732 11.4318 11.4318 12.0053 12.0053 12.3242 12.3242 13.6703 13.6703 14.9316 14.9316 16.0903 16.0903 16.4748 16.4748 17.0683 17.0683 19.5546 19.5546 20.2968 20.2968 k = 0.2685 0.2527-0.0000 ( 1524 PWs) bands (ev): 3.9286 3.9286 7.2193 7.2193 8.8990 8.8990 9.1078 9.1078 9.4956 9.4956 9.6137 9.6137 11.3196 11.3196 11.9672 11.9672 12.2819 12.2819 13.6675 13.6675 14.9258 14.9258 15.9742 15.9742 16.3560 16.3560 16.9405 16.9405 19.5561 19.5561 20.3931 20.3931 k = 0.2778 0.2614-0.0000 ( 1524 PWs) bands (ev): 3.9978 3.9978 7.1857 7.1857 8.9140 8.9140 9.1682 9.1682 9.5541 9.5541 9.6568 9.6568 11.2114 11.2114 11.9299 11.9299 12.2395 12.2395 13.6650 13.6650 14.9196 14.9196 15.8587 15.8587 16.2395 16.2395 16.8137 16.8137 19.5572 19.5572 20.4899 20.4899 k = 0.2870 0.2701-0.0000 ( 1524 PWs) bands (ev): 4.0677 4.0677 7.1520 7.1520 8.9283 8.9283 9.2297 9.2297 9.6085 9.6085 9.7045 9.7045 11.1075 11.1075 11.8933 11.8933 12.1971 12.1971 13.6628 13.6628 14.9130 14.9130 15.7442 15.7442 16.1257 16.1257 16.6880 16.6880 19.5580 19.5580 20.5868 20.5868 k = 0.2963 0.2789-0.0000 ( 1524 PWs) bands (ev): 4.1383 4.1383 7.1182 7.1182 8.9422 8.9422 9.2920 9.2920 9.6566 9.6566 9.7584 9.7584 11.0083 11.0083 11.8578 11.8578 12.1547 12.1547 13.6607 13.6607 14.9057 14.9057 15.6308 15.6308 16.0150 16.0150 16.5640 16.5640 19.5584 19.5584 20.6834 20.6834 k = 0.3056 0.2876 0.0000 ( 1536 PWs) bands (ev): 4.2094 4.2094 7.0843 7.0843 8.9556 8.9556 9.3543 9.3543 9.6984 9.6984 9.8183 9.8183 10.9144 10.9144 11.8233 11.8233 12.1124 12.1124 13.6587 13.6587 14.8978 14.8978 15.5190 15.5190 15.9079 15.9079 16.4417 16.4417 19.5585 19.5585 20.7790 20.7790 k = 0.3148 0.2963-0.0000 ( 1536 PWs) bands (ev): 4.2807 4.2807 7.0505 7.0505 8.9687 8.9687 9.4161 9.4161 9.7353 9.7353 9.8823 9.8823 10.8264 10.8264 11.7900 11.7900 12.0702 12.0702 13.6567 13.6567 14.8889 14.8889 15.4089 15.4089 15.8048 15.8048 16.3217 16.3217 19.5583 19.5583 20.8734 20.8734 k = 0.3241 0.3050 0.0000 ( 1528 PWs) bands (ev): 4.3520 4.3520 7.0168 7.0168 8.9814 8.9814 9.4767 9.4767 9.7688 9.7688 9.9487 9.9487 10.7450 10.7450 11.7582 11.7582 12.0281 12.0281 13.6545 13.6545 14.8788 14.8788 15.3010 15.3010 15.7061 15.7061 16.2043 16.2043 19.5578 19.5578 20.9661 20.9661 k = 0.3333 0.3137 0.0000 ( 1528 PWs) bands (ev): 4.4232 4.4232 6.9832 6.9832 8.9937 8.9937 9.5350 9.5350 9.7996 9.7996 10.0162 10.0162 10.6712 10.6712 11.7278 11.7278 11.9862 11.9862 13.6521 13.6521 14.8672 14.8672 15.1955 15.1955 15.6122 15.6122 16.0900 16.0900 19.5571 19.5571 21.0566 21.0566 k = 0.3426 0.3224-0.0000 ( 1528 PWs) bands (ev): 4.4940 4.4940 6.9497 6.9497 9.0055 9.0055 9.5897 9.5897 9.8282 9.8282 10.0839 10.0839 10.6061 10.6061 11.6992 11.6992 11.9444 11.9444 13.6494 13.6494 14.8536 14.8536 15.0929 15.0929 15.5238 15.5238 15.9792 15.9792 19.5562 19.5562 21.1444 21.1444 k = 0.3519 0.3311-0.0000 ( 1524 PWs) bands (ev): 4.5642 4.5642 6.9164 6.9164 9.0169 9.0169 9.6392 9.6392 9.8546 9.8546 10.1513 10.1513 10.5515 10.5515 11.6725 11.6725 11.9027 11.9027 13.6462 13.6462 14.8374 14.8374 14.9936 14.9936 15.4413 15.4413 15.8725 15.8725 19.5552 19.5552 21.2293 21.2293 k = 0.3611 0.3399-0.0000 ( 1524 PWs) bands (ev): 4.6334 4.6334 6.8834 6.8834 9.0278 9.0278 9.6815 9.6815 9.8792 9.8792 10.2176 10.2176 10.5093 10.5093 11.6479 11.6479 11.8609 11.8609 13.6424 13.6424 14.8178 14.8178 14.8979 14.8979 15.3656 15.3656 15.7704 15.7704 19.5540 19.5540 21.3107 21.3107 k = 0.3704 0.3486-0.0000 ( 1524 PWs) bands (ev): 4.7014 4.7014 6.8507 6.8507 9.0382 9.0382 9.7143 9.7143 9.9019 9.9019 10.2822 10.2822 10.4816 10.4816 11.6258 11.6258 11.8191 11.8191 13.6380 13.6380 14.7939 14.7939 14.8064 14.8064 15.2974 15.2974 15.6734 15.6734 19.5527 19.5527 21.3883 21.3883 k = 0.3796 0.3573 0.0000 ( 1524 PWs) bands (ev): 4.7679 4.7679 6.8184 6.8184 9.0481 9.0481 9.7359 9.7359 9.9227 9.9227 10.3445 10.3445 10.4701 10.4701 11.6063 11.6063 11.7771 11.7771 13.6328 13.6328 14.7194 14.7194 14.7651 14.7651 15.2375 15.2375 15.5822 15.5822 19.5514 19.5514 21.4618 21.4618 k = 0.3889 0.3660 0.0000 ( 1524 PWs) bands (ev): 4.8325 4.8325 6.7867 6.7867 9.0574 9.0574 9.7457 9.7457 9.9418 9.9418 10.4040 10.4040 10.4752 10.4752 11.5896 11.5896 11.7348 11.7348 13.6266 13.6266 14.6375 14.6375 14.7306 14.7306 15.1864 15.1864 15.4972 15.4972 19.5501 19.5501 21.5308 21.5308 k = 0.3981 0.3747 0.0000 ( 1516 PWs) bands (ev): 4.8949 4.8949 6.7557 6.7557 9.0660 9.0660 9.7445 9.7445 9.9590 9.9590 10.4600 10.4600 10.4959 10.4959 11.5762 11.5762 11.6921 11.6921 13.6195 13.6195 14.5612 14.5612 14.6908 14.6908 15.1442 15.1442 15.4189 15.4189 19.5487 19.5487 21.5951 21.5951 k = 0.4074 0.3834-0.0000 ( 1516 PWs) bands (ev): 4.9547 4.9547 6.7255 6.7255 9.0740 9.0740 9.7348 9.7348 9.9746 9.9746 10.5118 10.5118 10.5296 10.5296 11.5660 11.5660 11.6488 11.6488 13.6115 13.6115 14.4910 14.4910 14.6463 14.6463 15.1103 15.1103 15.3477 15.3477 19.5474 19.5474 21.6544 21.6544 k = 0.4167 0.3921-0.0000 ( 1516 PWs) bands (ev): 5.0113 5.0113 6.6965 6.6965 9.0814 9.0814 9.7192 9.7192 9.9884 9.9884 10.5589 10.5589 10.5733 10.5733 11.5591 11.5591 11.6048 11.6048 13.6024 13.6024 14.4272 14.4272 14.5986 14.5986 15.0834 15.0834 15.2837 15.2837 19.5461 19.5461 21.7085 21.7085 k = 0.4259 0.4009-0.0000 ( 1508 PWs) bands (ev): 5.0643 5.0643 6.6688 6.6688 9.0881 9.0881 9.7006 9.7006 10.0006 10.0006 10.6010 10.6010 10.6242 10.6242 11.5556 11.5556 11.5599 11.5599 13.5925 13.5925 14.3702 14.3702 14.5497 14.5497 15.0625 15.0625 15.2271 15.2271 19.5449 19.5449 21.7572 21.7572 k = 0.4352 0.4096 0.0000 ( 1508 PWs) bands (ev): 5.1133 5.1133 6.6428 6.6428 9.0940 9.0940 9.6808 9.6808 10.0112 10.0112 10.6376 10.6376 10.6799 10.6799 11.5140 11.5140 11.5552 11.5552 13.5819 13.5819 14.3203 14.3203 14.5013 14.5013 15.0463 15.0463 15.1777 15.1777 19.5438 19.5438 21.8004 21.8004 k = 0.4444 0.4183-0.0000 ( 1516 PWs) bands (ev): 5.1575 5.1575 6.6189 6.6189 9.0992 9.0992 9.6615 9.6615 10.0202 10.0202 10.6686 10.6686 10.7384 10.7384 11.4672 11.4672 11.5573 11.5573 13.5711 13.5711 14.2775 14.2775 14.4554 14.4554 15.0337 15.0337 15.1355 15.1355 19.5428 19.5428 21.8380 21.8380 k = 0.4537 0.4270 0.0000 ( 1528 PWs) bands (ev): 5.1964 5.1964 6.5975 6.5975 9.1036 9.1036 9.6438 9.6438 10.0277 10.0277 10.6941 10.6941 10.7982 10.7982 11.4194 11.4194 11.5612 11.5612 13.5606 13.5606 14.2419 14.2419 14.4134 14.4134 15.0241 15.0241 15.1002 15.1002 19.5419 19.5419 21.8699 21.8699 k = 0.4630 0.4357 0.0000 ( 1528 PWs) bands (ev): 5.2293 5.2293 6.5791 6.5791 9.1073 9.1073 9.6285 9.6285 10.0338 10.0338 10.7143 10.7143 10.8579 10.8579 11.3711 11.3711 11.5663 11.5663 13.5508 13.5508 14.2132 14.2132 14.3770 14.3770 15.0169 15.0169 15.0717 15.0717 19.5412 19.5412 21.8961 21.8961 k = 0.4722 0.4444-0.0000 ( 1528 PWs) bands (ev): 5.2558 5.2558 6.5641 6.5641 9.1101 9.1101 9.6161 9.6161 10.0385 10.0385 10.7295 10.7295 10.9156 10.9156 11.3230 11.3230 11.5714 11.5714 13.5424 13.5424 14.1913 14.1913 14.3473 14.3473 15.0117 15.0117 15.0497 15.0497 19.5406 19.5406 21.9164 21.9164 k = 0.4815 0.4531-0.0000 ( 1520 PWs) bands (ev): 5.2751 5.2751 6.5531 6.5531 9.1122 9.1122 9.6070 9.6070 10.0418 10.0418 10.7400 10.7400 10.9686 10.9686 11.2773 11.2773 11.5758 11.5758 13.5359 13.5359 14.1759 14.1759 14.3254 14.3254 15.0082 15.0082 15.0340 15.0340 19.5402 19.5402 21.9310 21.9310 k = 0.4907 0.4619-0.0000 ( 1520 PWs) bands (ev): 5.2869 5.2869 6.5463 6.5463 9.1134 9.1134 9.6015 9.6015 10.0438 10.0438 10.7462 10.7462 11.0107 11.0107 11.2397 11.2397 11.5788 11.5788 13.5318 13.5318 14.1668 14.1668 14.3119 14.3119 15.0063 15.0063 15.0245 15.0245 19.5399 19.5399 21.9397 21.9397 k = 0.5000 0.4706 0.0000 ( 1516 PWs) bands (ev): 5.2909 5.2909 6.5441 6.5441 9.1138 9.1138 9.5996 9.5996 10.0445 10.0445 10.7482 10.7482 11.0284 11.0284 11.2236 11.2236 11.5798 11.5798 13.5304 13.5304 14.1637 14.1637 14.3073 14.3073 15.0058 15.0058 15.0213 15.0213 19.5398 19.5398 21.9426 21.9426 k = 0.5000 0.4706 0.0000 ( 1516 PWs) bands (ev): 5.2909 5.2909 6.5441 6.5441 9.1138 9.1138 9.5996 9.5996 10.0445 10.0445 10.7482 10.7482 11.0284 11.0284 11.2236 11.2236 11.5798 11.5798 13.5304 13.5304 14.1637 14.1637 14.3073 14.3073 15.0058 15.0058 15.0213 15.0213 19.5398 19.5398 21.9426 21.9426 k = 0.4939 0.4770 0.0088 ( 1524 PWs) bands (ev): 5.2912 5.2912 6.5459 6.5459 9.1149 9.1149 9.5979 9.5979 10.0420 10.0420 10.7501 10.7501 11.0290 11.0290 11.2247 11.2247 11.5802 11.5802 13.5276 13.5276 14.1570 14.1570 14.3017 14.3017 14.9822 14.9822 15.0532 15.0532 19.5445 19.5445 21.9457 21.9457 k = 0.4879 0.4834 0.0177 ( 1524 PWs) bands (ev): 5.2920 5.2920 6.5516 6.5516 9.1179 9.1179 9.5927 9.5927 10.0347 10.0347 10.7551 10.7551 11.0312 11.0312 11.2281 11.2281 11.5812 11.5812 13.5190 13.5190 14.1373 14.1373 14.2853 14.2853 14.9588 14.9588 15.1003 15.1003 19.5584 19.5584 21.9548 21.9548 k = 0.4818 0.4899 0.0265 ( 1528 PWs) bands (ev): 5.2934 5.2934 6.5611 6.5611 9.1231 9.1231 9.5840 9.5840 10.0235 10.0235 10.7618 10.7618 11.0354 11.0354 11.2342 11.2342 11.5830 11.5830 13.5046 13.5046 14.1058 14.1058 14.2595 14.2595 14.9403 14.9403 15.1563 15.1563 19.5810 19.5810 21.9703 21.9703 k = 0.4758 0.4963 0.0353 ( 1526 PWs) bands (ev): 5.2953 5.2953 6.5744 6.5744 9.1302 9.1302 9.5718 9.5718 10.0091 10.0091 10.7683 10.7683 11.0418 11.0418 11.2436 11.2436 11.5854 11.5854 13.4841 13.4841 14.0648 14.0648 14.2255 14.2255 14.9252 14.9252 15.2198 15.2198 19.6115 19.6115 21.9923 21.9923 k = 0.4697 0.5027 0.0442 ( 1516 PWs) bands (ev): 5.2977 5.2977 6.5915 6.5915 9.1394 9.1394 9.5562 9.5562 9.9927 9.9927 10.7723 10.7723 11.0507 11.0507 11.2572 11.2572 11.5887 11.5887 13.4576 13.4576 14.0165 14.0165 14.1842 14.1842 14.9128 14.9128 15.2895 15.2895 19.6488 19.6488 22.0213 22.0213 k = 0.4637 0.5092 0.0530 ( 1520 PWs) bands (ev): 5.3005 5.3005 6.6123 6.6123 9.1506 9.1506 9.5371 9.5371 9.9752 9.9752 10.7722 10.7722 11.0615 11.0615 11.2760 11.2760 11.5927 11.5927 13.4248 13.4248 13.9633 13.9633 14.1362 14.1362 14.9026 14.9026 15.3640 15.3640 19.6915 19.6915 22.0575 22.0575 k = 0.4576 0.5156 0.0619 ( 1520 PWs) bands (ev): 5.3036 5.3036 6.6369 6.6369 9.1638 9.1638 9.5148 9.5148 9.9574 9.9574 10.7673 10.7673 11.0730 11.0730 11.3010 11.3010 11.5975 11.5975 13.3856 13.3856 13.9070 13.9070 14.0823 14.0823 14.8942 14.8942 15.4423 15.4423 19.7383 19.7383 22.1014 22.1014 k = 0.4516 0.5220 0.0707 ( 1520 PWs) bands (ev): 5.3071 5.3071 6.6651 6.6651 9.1790 9.1790 9.4895 9.4895 9.9399 9.9399 10.7573 10.7573 11.0839 11.0839 11.3327 11.3327 11.6032 11.6032 13.3403 13.3403 13.8487 13.8487 14.0234 14.0234 14.8876 14.8876 15.5236 15.5236 19.7878 19.7878 22.1536 22.1536 k = 0.4455 0.5285 0.0795 ( 1516 PWs) bands (ev): 5.3108 5.3108 6.6970 6.6970 9.1961 9.1961 9.4614 9.4614 9.9232 9.9232 10.7425 10.7425 11.0933 11.0933 11.3709 11.3709 11.6099 11.6099 13.2892 13.2892 13.7887 13.7887 13.9610 13.9610 14.8828 14.8828 15.6071 15.6071 19.8383 19.8383 22.2144 22.2144 k = 0.4394 0.5349 0.0884 ( 1516 PWs) bands (ev): 5.3145 5.3145 6.7326 6.7326 9.2150 9.2150 9.4309 9.4309 9.9073 9.9073 10.7236 10.7236 11.1007 11.1007 11.4145 11.4145 11.6178 11.6178 13.2328 13.2328 13.7270 13.7270 13.8966 13.8966 14.8795 14.8795 15.6925 15.6925 19.8887 19.8887 22.2840 22.2840 k = 0.4334 0.5413 0.0972 ( 1520 PWs) bands (ev): 5.3183 5.3183 6.7717 6.7717 9.2355 9.2355 9.3983 9.3983 9.8926 9.8926 10.7009 10.7009 11.1062 11.1062 11.4618 11.4618 11.6273 11.6273 13.1721 13.1721 13.6628 13.6628 13.8320 13.8320 14.8778 14.8778 15.7793 15.7793 19.9376 19.9376 22.3627 22.3627 k = 0.4273 0.5478 0.1060 ( 1520 PWs) bands (ev): 5.3219 5.3219 6.8144 6.8144 9.2573 9.2573 9.3645 9.3645 9.8791 9.8791 10.6751 10.6751 11.1098 11.1098 11.5108 11.5108 11.6391 11.6391 13.1080 13.1080 13.5953 13.5953 13.7691 13.7691 14.8775 14.8775 15.8672 15.8672 19.9842 19.9842 22.4506 22.4506 k = 0.4213 0.5542 0.1149 ( 1520 PWs) bands (ev): 5.3253 5.3253 6.8606 6.8606 9.2779 9.2779 9.3321 9.3321 9.8668 9.8668 10.6464 10.6464 11.1119 11.1119 11.5580 11.5580 11.6553 11.6553 13.0415 13.0415 13.5241 13.5241 13.7091 13.7091 14.8785 14.8785 15.9560 15.9560 20.0274 20.0274 22.5473 22.5473 k = 0.4152 0.5607 0.1237 ( 1524 PWs) bands (ev): 5.3283 5.3283 6.9101 6.9101 9.2760 9.2760 9.3223 9.3223 9.8558 9.8558 10.6153 10.6153 11.1126 11.1126 11.5980 11.5980 11.6797 11.6797 12.9740 12.9740 13.4495 13.4495 13.6526 13.6526 14.8808 14.8808 16.0456 16.0456 20.0670 20.0670 22.6524 22.6524 k = 0.4092 0.5671 0.1325 ( 1524 PWs) bands (ev): 5.3307 5.3307 6.9630 6.9630 9.2427 9.2427 9.3443 9.3443 9.8461 9.8461 10.5821 10.5821 11.1119 11.1119 11.6264 11.6264 11.7154 11.7154 12.9065 12.9065 13.3724 13.3724 13.5998 13.5998 14.8844 14.8844 16.1357 16.1357 20.1024 20.1024 22.7655 22.7655 k = 0.4031 0.5735 0.1414 ( 1530 PWs) bands (ev): 5.3325 5.3325 7.0192 7.0192 9.2035 9.2035 9.3727 9.3727 9.8378 9.8378 10.5470 10.5470 11.1099 11.1099 11.6461 11.6461 11.7576 11.7576 12.8402 12.8402 13.2943 13.2943 13.5506 13.5506 14.8890 14.8890 16.2263 16.2263 20.1336 20.1336 22.8855 22.8855 k = 0.3971 0.5800 0.1502 ( 1530 PWs) bands (ev): 5.3334 5.3334 7.0785 7.0785 9.1624 9.1624 9.4035 9.4035 9.8310 9.8310 10.5104 10.5104 11.1066 11.1066 11.6619 11.6619 11.7999 11.7999 12.7762 12.7762 13.2164 13.2164 13.5050 13.5050 14.8948 14.8948 16.3173 16.3173 20.1605 20.1605 23.0116 23.0116 k = 0.3910 0.5864 0.1590 ( 1532 PWs) bands (ev): 5.3333 5.3333 7.1409 7.1409 9.1200 9.1200 9.4360 9.4360 9.8258 9.8258 10.4725 10.4725 11.1018 11.1018 11.6762 11.6762 11.8377 11.8377 12.7153 12.7153 13.1405 13.1405 13.4638 13.4638 14.9016 14.9016 16.4086 16.4086 20.1834 20.1834 23.1424 23.1424 k = 0.3849 0.5928 0.1679 ( 1524 PWs) bands (ev): 5.3320 5.3320 7.2062 7.2062 9.0765 9.0765 9.4698 9.4698 9.8222 9.8222 10.4337 10.4337 11.0955 11.0955 11.6898 11.6898 11.8681 11.8681 12.6579 12.6579 13.0679 13.0679 13.4277 13.4277 14.9093 14.9093 16.5002 16.5002 20.2025 20.2025 23.2766 23.2766 k = 0.3789 0.5993 0.1767 ( 1524 PWs) bands (ev): 5.3293 5.3293 7.2743 7.2743 9.0322 9.0322 9.5046 9.5046 9.8204 9.8204 10.3943 10.3943 11.0874 11.0874 11.7029 11.7029 11.8892 11.8892 12.6038 12.6038 13.0002 13.0002 13.3984 13.3984 14.9181 14.9181 16.5920 16.5920 20.2181 20.2181 23.4125 23.4125 k = 0.3728 0.6057 0.1856 ( 1528 PWs) bands (ev): 5.3251 5.3251 7.3451 7.3451 8.9871 8.9871 9.5401 9.5401 9.8203 9.8203 10.3548 10.3548 11.0775 11.0775 11.7155 11.7155 11.8999 11.8999 12.5517 12.5517 12.9384 12.9384 13.3779 13.3779 14.9278 14.9278 16.6839 16.6839 20.2305 20.2305 23.5481 23.5481 k = 0.3668 0.6121 0.1944 ( 1528 PWs) bands (ev): 5.3191 5.3191 7.4184 7.4184 8.9413 8.9413 9.5758 9.5758 9.8221 9.8221 10.3158 10.3158 11.0654 11.0654 11.7269 11.7269 11.9008 11.9008 12.4999 12.4999 12.8831 12.8831 13.3684 13.3684 14.9384 14.9384 16.7759 16.7759 20.2399 20.2399 23.6807 23.6807 k = 0.3607 0.6186 0.2032 ( 1528 PWs) bands (ev): 5.3112 5.3112 7.4939 7.4939 8.8949 8.8949 9.6113 9.6113 9.8255 9.8255 10.2779 10.2779 11.0509 11.0509 11.7363 11.7363 11.8938 11.8938 12.4470 12.4470 12.8334 12.8334 13.3720 13.3720 14.9498 14.9498 16.8680 16.8680 20.2468 20.2468 23.8062 23.8062 k = 0.3607 0.6186 0.2032 ( 1528 PWs) bands (ev): 5.3112 5.3112 7.4939 7.4939 8.8949 8.8949 9.6113 9.6113 9.8255 9.8255 10.2779 10.2779 11.0509 11.0509 11.7363 11.7363 11.8938 11.8938 12.4470 12.4470 12.8334 12.8334 13.3720 13.3720 14.9498 14.9498 16.8680 16.8680 20.2468 20.2468 23.8062 23.8062 k = 0.3494 0.6149 0.2083 ( 1528 PWs) bands (ev): 5.3046 5.3046 7.5382 7.5382 8.8692 8.8692 9.6306 9.6306 9.8287 9.8287 10.2574 10.2574 11.0390 11.0390 11.7380 11.7380 11.8894 11.8894 12.4173 12.4173 12.8069 12.8069 13.3779 13.3779 14.9624 14.9624 16.9229 16.9229 20.2502 20.2502 23.8710 23.8710 k = 0.3382 0.6112 0.2133 ( 1526 PWs) bands (ev): 5.2951 5.2951 7.5832 7.5832 8.8456 8.8456 9.6482 9.6482 9.8336 9.8336 10.2385 10.2385 11.0216 11.0216 11.7341 11.7341 11.8873 11.8873 12.3900 12.3900 12.7810 12.7810 13.3821 13.3821 14.9874 14.9874 16.9824 16.9824 20.2541 20.2541 23.9241 23.9241 k = 0.3269 0.6075 0.2184 ( 1533 PWs) bands (ev): 5.2830 5.2830 7.6285 7.6285 8.8241 8.8241 9.6638 9.6638 9.8399 9.8399 10.2221 10.2221 10.9999 10.9999 11.7251 11.7251 11.8866 11.8866 12.3654 12.3654 12.7551 12.7551 13.3825 13.3825 15.0260 15.0260 17.0463 17.0463 20.2585 20.2585 23.9473 23.9473 k = 0.3156 0.6039 0.2234 ( 1531 PWs) bands (ev): 5.2686 5.2686 7.6737 7.6737 8.8048 8.8048 9.6770 9.6770 9.8475 9.8475 10.2087 10.2087 10.9749 10.9749 11.7117 11.7117 11.8867 11.8867 12.3435 12.3435 12.7287 12.7287 13.3777 13.3777 15.0788 15.0788 17.1148 17.1148 20.2634 20.2634 23.9147 23.9147 k = 0.3044 0.6002 0.2285 ( 1531 PWs) bands (ev): 5.2524 5.2524 7.7184 7.7184 8.7879 8.7879 9.6874 9.6874 9.8564 9.8564 10.1991 10.1991 10.9478 10.9478 11.6945 11.6945 11.8871 11.8871 12.3239 12.3239 12.7018 12.7018 13.3665 13.3665 15.1460 15.1460 17.1878 17.1878 20.2688 20.2688 23.8371 23.8371 k = 0.2931 0.5965 0.2335 ( 1529 PWs) bands (ev): 5.2345 5.2345 7.7620 7.7620 8.7734 8.7734 9.6945 9.6945 9.8666 9.8666 10.1938 10.1938 10.9196 10.9196 11.6740 11.6740 11.8875 11.8875 12.3061 12.3061 12.6742 12.6742 13.3486 13.3486 15.2271 15.2271 17.2651 17.2651 20.2747 20.2747 23.7375 23.7375 k = 0.2818 0.5928 0.2386 ( 1531 PWs) bands (ev): 5.2152 5.2152 7.8041 7.8041 8.7616 8.7616 9.6980 9.6980 9.8783 9.8783 10.1928 10.1928 10.8910 10.8910 11.6512 11.6512 11.8877 11.8877 12.2893 12.2893 12.6459 12.6459 13.3240 13.3240 15.3216 15.3216 17.3467 17.3467 20.2812 20.2812 23.6264 23.6265 k = 0.2705 0.5892 0.2436 ( 1527 PWs) bands (ev): 5.1949 5.1949 7.8443 7.8443 8.7527 8.7527 9.6978 9.6978 9.8917 9.8917 10.1963 10.1963 10.8630 10.8630 11.6267 11.6267 11.8874 11.8874 12.2729 12.2729 12.6172 12.6172 13.2930 13.2930 15.4282 15.4282 17.4324 17.4324 20.2880 20.2880 23.5088 23.5088 k = 0.2593 0.5855 0.2487 ( 1529 PWs) bands (ev): 5.1738 5.1738 7.8820 7.8820 8.7467 8.7467 9.6940 9.6940 9.9068 9.9068 10.2037 10.2037 10.8362 10.8362 11.6014 11.6014 11.8865 11.8865 12.2561 12.2561 12.5879 12.5879 13.2565 13.2565 15.5458 15.5458 17.5219 17.5219 20.2952 20.2952 23.3872 23.3872 k = 0.2480 0.5818 0.2537 ( 1530 PWs) bands (ev): 5.1520 5.1520 7.9167 7.9167 8.7439 8.7439 9.6871 9.6871 9.9236 9.9236 10.2147 10.2147 10.8109 10.8109 11.5760 11.5760 11.8849 11.8849 12.2385 12.2385 12.5581 12.5581 13.2150 13.2150 15.6732 15.6732 17.6151 17.6151 20.3025 20.3025 23.2635 23.2635 k = 0.2367 0.5781 0.2588 ( 1534 PWs) bands (ev): 5.1299 5.1299 7.9481 7.9481 8.7445 8.7445 9.6778 9.6778 9.9419 9.9419 10.2287 10.2287 10.7876 10.7876 11.5510 11.5510 11.8825 11.8825 12.2199 12.2199 12.5279 12.5279 13.1693 13.1693 15.8094 15.8094 17.7118 17.7118 20.3098 20.3098 23.1393 23.1393 k = 0.2254 0.5744 0.2638 ( 1534 PWs) bands (ev): 5.1076 5.1076 7.9760 7.9760 8.7485 8.7485 9.6668 9.6668 9.9615 9.9615 10.2451 10.2451 10.7667 10.7667 11.5271 11.5271 11.8793 11.8793 12.1999 12.1999 12.4972 12.4972 13.1202 13.1202 15.9531 15.9531 17.8115 17.8115 20.3168 20.3168 23.0156 23.0156 k = 0.2142 0.5708 0.2689 ( 1532 PWs) bands (ev): 5.0854 5.0854 7.9999 7.9999 8.7558 8.7558 9.6547 9.6547 9.9819 9.9819 10.2633 10.2633 10.7482 10.7482 11.5045 11.5045 11.8753 11.8753 12.1786 12.1786 12.4661 12.4661 13.0684 13.0684 16.1034 16.1034 17.9141 17.9141 20.3232 20.3232 22.8936 22.8936 k = 0.2029 0.5671 0.2739 ( 1531 PWs) bands (ev): 5.0634 5.0634 8.0200 8.0200 8.7663 8.7663 9.6423 9.6423 10.0028 10.0028 10.2831 10.2831 10.7324 10.7324 11.4838 11.4838 11.8708 11.8708 12.1558 12.1558 12.4346 12.4346 13.0144 13.0144 16.2594 16.2594 18.0190 18.0190 20.3285 20.3285 22.7740 22.7740 k = 0.1916 0.5634 0.2790 ( 1530 PWs) bands (ev): 5.0418 5.0418 8.0362 8.0362 8.7796 8.7796 9.6299 9.6299 10.0240 10.0240 10.3039 10.3039 10.7193 10.7193 11.4651 11.4651 11.8657 11.8657 12.1318 12.1318 12.4026 12.4026 12.9588 12.9588 16.4203 16.4203 18.1260 18.1260 20.3322 20.3322 22.6577 22.6577 k = 0.1804 0.5597 0.2840 ( 1529 PWs) bands (ev): 5.0206 5.0206 8.0489 8.0489 8.7954 8.7954 9.6180 9.6180 10.0451 10.0451 10.3255 10.3255 10.7088 10.7088 11.4487 11.4487 11.8605 11.8605 12.1067 12.1067 12.3702 12.3702 12.9020 12.9020 16.5854 16.5854 18.2346 18.2346 20.3335 20.3335 22.5456 22.5456 k = 0.1691 0.5561 0.2891 ( 1525 PWs) bands (ev): 5.0002 5.0002 8.0582 8.0582 8.8129 8.8129 9.6070 9.6070 10.0658 10.0658 10.3477 10.3477 10.7010 10.7010 11.4347 11.4347 11.8551 11.8551 12.0806 12.0806 12.3375 12.3375 12.8446 12.8446 16.7539 16.7539 18.3444 18.3444 20.3317 20.3317 22.4386 22.4386 k = 0.1578 0.5524 0.2941 ( 1521 PWs) bands (ev): 4.9805 4.9805 8.0647 8.0647 8.8318 8.8318 9.5970 9.5970 10.0858 10.0858 10.3702 10.3702 10.6957 10.6957 11.4230 11.4230 11.8500 11.8500 12.0539 12.0539 12.3045 12.3045 12.7869 12.7869 16.9251 16.9251 18.4547 18.4547 20.3258 20.3258 22.3375 22.3375 k = 0.1465 0.5487 0.2991 ( 1519 PWs) bands (ev): 4.9617 4.9617 8.0688 8.0688 8.8512 8.8512 9.5883 9.5883 10.1050 10.1050 10.3929 10.3929 10.6928 10.6928 11.4138 11.4138 11.8453 11.8453 12.0269 12.0269 12.2715 12.2715 12.7293 12.7293 17.0985 17.0985 18.5649 18.5649 20.3146 20.3146 22.2432 22.2432 k = 0.1353 0.5450 0.3042 ( 1519 PWs) bands (ev): 4.9439 4.9439 8.0708 8.0708 8.8706 8.8706 9.5811 9.5811 10.1231 10.1231 10.4154 10.4154 10.6922 10.6922 11.4068 11.4068 11.8414 11.8414 12.0000 12.0000 12.2386 12.2386 12.6721 12.6721 17.2734 17.2734 18.6744 18.6744 20.2968 20.2968 22.1567 22.1567 k = 0.1240 0.5414 0.3092 ( 1523 PWs) bands (ev): 4.9272 4.9272 8.0713 8.0713 8.8895 8.8895 9.5753 9.5753 10.1399 10.1399 10.4376 10.4376 10.6937 10.6937 11.4018 11.4018 11.8382 11.8382 11.9735 11.9735 12.2062 12.2062 12.6157 12.6157 17.4492 17.4492 18.7824 18.7824 20.2712 20.2712 22.0788 22.0788 k = 0.1127 0.5377 0.3143 ( 1523 PWs) bands (ev): 4.9117 4.9117 8.0706 8.0706 8.9075 8.9075 9.5711 9.5711 10.1554 10.1554 10.4590 10.4590 10.6973 10.6973 11.3985 11.3985 11.8360 11.8360 11.9482 11.9482 12.1746 12.1746 12.5602 12.5602 17.6253 17.6253 18.8880 18.8880 20.2364 20.2364 22.0101 22.0101 k = 0.1015 0.5340 0.3193 ( 1525 PWs) bands (ev): 4.8975 4.8975 8.0690 8.0690 8.9240 8.9240 9.5683 9.5683 10.1694 10.1694 10.4795 10.4795 10.7026 10.7026 11.3967 11.3967 11.8344 11.8344 11.9250 11.9250 12.1443 12.1443 12.5061 12.5061 17.8011 17.8011 18.9901 18.9901 20.1915 20.1915 21.9509 21.9509 k = 0.0902 0.5303 0.3244 ( 1527 PWs) bands (ev): 4.8846 4.8846 8.0669 8.0669 8.9390 8.9390 9.5667 9.5667 10.1818 10.1818 10.4985 10.4985 10.7095 10.7095 11.3958 11.3958 11.8326 11.8326 11.9050 11.9050 12.1159 12.1159 12.4535 12.4535 17.9760 17.9760 19.0876 19.0876 20.1356 20.1356 21.9013 21.9013 k = 0.0789 0.5267 0.3294 ( 1527 PWs) bands (ev): 4.8730 4.8730 8.0644 8.0644 8.9521 8.9521 9.5663 9.5663 10.1927 10.1927 10.5159 10.5159 10.7177 10.7177 11.3955 11.3955 11.8291 11.8291 11.8902 11.8902 12.0903 12.0903 12.4027 12.4027 18.1493 18.1493 19.1789 19.1789 20.0685 20.0685 21.8605 21.8605 k = 0.0676 0.5230 0.3345 ( 1528 PWs) bands (ev): 4.8630 4.8630 8.0619 8.0619 8.9634 8.9634 9.5668 9.5668 10.2021 10.2021 10.5313 10.5313 10.7268 10.7268 11.3953 11.3953 11.8225 11.8225 11.8821 11.8821 12.0685 12.0685 12.3541 12.3541 18.3204 18.3204 19.2625 19.2625 19.9904 19.9904 21.8277 21.8277 k = 0.0564 0.5193 0.3395 ( 1527 PWs) bands (ev): 4.8543 4.8543 8.0595 8.0595 8.9728 8.9728 9.5678 9.5678 10.2099 10.2099 10.5444 10.5444 10.7363 10.7363 11.3951 11.3951 11.8135 11.8135 11.8797 11.8797 12.0519 12.0519 12.3081 12.3081 18.4885 18.4885 19.3362 19.3362 19.9021 19.9021 21.8017 21.8017 k = 0.0451 0.5156 0.3446 ( 1531 PWs) bands (ev): 4.8472 4.8472 8.0574 8.0574 8.9803 8.9803 9.5691 9.5691 10.2162 10.2162 10.5553 10.5553 10.7455 10.7455 11.3946 11.3946 11.8042 11.8042 11.8797 11.8797 12.0417 12.0417 12.2652 12.2652 18.6529 18.6529 19.3968 19.3968 19.8058 19.8058 21.7813 21.7813 k = 0.0338 0.5119 0.3496 ( 1530 PWs) bands (ev): 4.8417 4.8417 8.0556 8.0556 8.9861 8.9861 9.5704 9.5704 10.2211 10.2211 10.5637 10.5637 10.7537 10.7537 11.3939 11.3939 11.7964 11.7964 11.8798 11.8798 12.0390 12.0390 12.2263 12.2263 18.8127 18.8127 19.4379 19.4379 19.7073 19.7073 21.7658 21.7658 k = 0.0225 0.5083 0.3547 ( 1529 PWs) bands (ev): 4.8377 4.8377 8.0542 8.0542 8.9901 8.9901 9.5716 9.5716 10.2245 10.2245 10.5697 10.5697 10.7601 10.7601 11.3932 11.3932 11.7908 11.7908 11.8791 11.8791 12.0430 12.0430 12.1930 12.1930 18.9667 18.9667 19.4399 19.4399 19.6256 19.6256 21.7546 21.7546 k = 0.0113 0.5046 0.3597 ( 1530 PWs) bands (ev): 4.8353 4.8353 8.0534 8.0534 8.9925 8.9925 9.5723 9.5723 10.2265 10.2265 10.5733 10.5733 10.7643 10.7643 11.3926 11.3926 11.7875 11.7875 11.8780 11.8780 12.0501 12.0501 12.1687 12.1687 19.1128 19.1128 19.3718 19.3718 19.5927 19.5927 21.7478 21.7478 k = 0.0000 0.5009 0.3648 ( 1528 PWs) bands (ev): 4.8345 4.8345 8.0531 8.0531 8.9933 8.9933 9.5726 9.5726 10.2272 10.2272 10.5745 10.5745 10.7658 10.7658 11.3924 11.3924 11.7864 11.7864 11.8775 11.8775 12.0540 12.0540 12.1591 12.1591 19.2281 19.2281 19.2758 19.2758 19.5886 19.5886 21.7455 21.7455 k = 0.0000 0.5009 0.3648 ( 1528 PWs) bands (ev): 4.8345 4.8345 8.0531 8.0531 8.9933 8.9933 9.5726 9.5726 10.2272 10.2272 10.5745 10.5745 10.7658 10.7658 11.3924 11.3924 11.7864 11.7864 11.8775 11.8775 12.0540 12.0540 12.1591 12.1591 19.2281 19.2281 19.2758 19.2758 19.5886 19.5886 21.7455 21.7455 k = 0.0063 0.4943 0.3739 ( 1532 PWs) bands (ev): 4.8353 4.8353 8.0534 8.0534 8.9931 8.9931 9.5704 9.5704 10.2272 10.2272 10.5737 10.5737 10.7629 10.7629 11.3928 11.3928 11.7873 11.7873 11.8775 11.8775 12.0557 12.0557 12.1658 12.1658 19.1940 19.1940 19.2895 19.2895 19.5937 19.5937 21.7543 21.7543 k = 0.0125 0.4876 0.3830 ( 1530 PWs) bands (ev): 4.8376 4.8376 8.0544 8.0544 8.9926 8.9926 9.5637 9.5637 10.2273 10.2273 10.5713 10.5713 10.7544 10.7544 11.3937 11.3937 11.7899 11.7899 11.8779 11.8779 12.0613 12.0613 12.1846 12.1846 19.1277 19.1277 19.2960 19.2960 19.6081 19.6081 21.7794 21.7794 k = 0.0187 0.4810 0.3921 ( 1528 PWs) bands (ev): 4.8414 4.8414 8.0560 8.0560 8.9917 8.9917 9.5529 9.5529 10.2272 10.2272 10.5675 10.5675 10.7410 10.7410 11.3945 11.3945 11.7949 11.7949 11.8795 11.8795 12.0719 12.0719 12.2131 12.2131 19.0448 19.0448 19.2837 19.2837 19.6294 19.6294 21.8162 21.8162 k = 0.0250 0.4744 0.4013 ( 1530 PWs) bands (ev): 4.8468 4.8468 8.0582 8.0582 8.9902 8.9902 9.5383 9.5383 10.2270 10.2270 10.5623 10.5623 10.7233 10.7233 11.3943 11.3943 11.8030 11.8030 11.8834 11.8834 12.0879 12.0879 12.2487 12.2487 18.9492 18.9492 19.2538 19.2538 19.6545 19.6545 21.8560 21.8560 k = 0.0312 0.4677 0.4104 ( 1524 PWs) bands (ev): 4.8537 4.8537 8.0609 8.0609 8.9879 8.9879 9.5205 9.5205 10.2263 10.2263 10.5561 10.5561 10.7025 10.7025 11.3925 11.3925 11.8145 11.8145 11.8903 11.8903 12.1091 12.1091 12.2898 12.2898 18.8435 18.8435 19.2086 19.2086 19.6814 19.6814 21.8857 21.8857 k = 0.0375 0.4611 0.4195 ( 1520 PWs) bands (ev): 4.8620 4.8620 8.0640 8.0640 8.9846 8.9846 9.5002 9.5002 10.2252 10.2252 10.5490 10.5490 10.6794 10.6794 11.3886 11.3886 11.8298 11.8298 11.9009 11.9009 12.1349 12.1349 12.3349 12.3349 18.7297 18.7297 19.1497 19.1497 19.7091 19.7091 21.8918 21.8918 k = 0.0437 0.4544 0.4286 ( 1522 PWs) bands (ev): 4.8718 4.8718 8.0674 8.0674 8.9798 8.9798 9.4781 9.4781 10.2234 10.2234 10.5411 10.5411 10.6550 10.6550 11.3828 11.3828 11.8484 11.8484 11.9156 11.9156 12.1645 12.1645 12.3832 12.3832 18.6094 18.6094 19.0785 19.0785 19.7375 19.7375 21.8716 21.8716 k = 0.0500 0.4478 0.4377 ( 1518 PWs) bands (ev): 4.8829 4.8829 8.0710 8.0710 8.9730 8.9730 9.4551 9.4551 10.2209 10.2209 10.5326 10.5326 10.6301 10.6301 11.3757 11.3757 11.8695 11.8695 11.9346 11.9346 12.1972 12.1972 12.4337 12.4337 18.4844 18.4844 18.9959 18.9959 19.7665 19.7665 21.8340 21.8340 k = 0.0563 0.4412 0.4469 ( 1518 PWs) bands (ev): 4.8954 4.8954 8.0748 8.0748 8.9638 8.9638 9.4322 9.4322 10.2179 10.2179 10.5235 10.5235 10.6055 10.6055 11.3678 11.3678 11.8923 11.8923 11.9580 11.9580 12.2325 12.2325 12.4860 12.4860 18.3557 18.3557 18.9029 18.9029 19.7965 19.7965 21.7889 21.7889 k = 0.0625 0.4345 0.4560 ( 1518 PWs) bands (ev): 4.9093 4.9093 8.0785 8.0785 8.9515 8.9515 9.4103 9.4103 10.2143 10.2143 10.5138 10.5138 10.5819 10.5819 11.3599 11.3599 11.9161 11.9161 11.9855 11.9855 12.2697 12.2697 12.5393 12.5393 18.2246 18.2246 18.8007 18.8007 19.8276 19.8276 21.7430 21.7430 k = 0.0688 0.4279 0.4651 ( 1522 PWs) bands (ev): 4.9243 4.9243 8.0821 8.0821 8.9355 8.9355 9.3903 9.3903 10.2104 10.2104 10.5032 10.5032 10.5603 10.5603 11.3526 11.3526 11.9406 11.9406 12.0164 12.0164 12.3083 12.3083 12.5933 12.5933 18.0920 18.0920 18.6902 18.6902 19.8602 19.8602 21.6997 21.6997 k = 0.0750 0.4212 0.4742 ( 1522 PWs) bands (ev): 4.9406 4.9406 8.0854 8.0854 8.9155 8.9155 9.3727 9.3727 10.2064 10.2064 10.4913 10.4913 10.5415 10.5415 11.3465 11.3465 11.9657 11.9657 12.0500 12.0500 12.3478 12.3478 12.6475 12.6475 17.9587 17.9587 18.5727 18.5727 19.8945 19.8945 21.6607 21.6607 k = 0.0813 0.4146 0.4833 ( 1518 PWs) bands (ev): 4.9580 4.9580 8.0883 8.0883 8.8911 8.8911 9.3581 9.3581 10.2024 10.2024 10.4781 10.4781 10.5261 10.5261 11.3420 11.3420 11.9915 11.9915 12.0853 12.0853 12.3878 12.3878 12.7015 12.7015 17.8255 17.8255 18.4494 18.4494 19.9308 19.9308 21.6267 21.6267 k = 0.0875 0.4079 0.4925 ( 1520 PWs) bands (ev): 4.9764 4.9764 8.0908 8.0908 8.8625 8.8625 9.3465 9.3465 10.1988 10.1988 10.4640 10.4640 10.5140 10.5140 11.3395 11.3395 12.0180 12.0180 12.1215 12.1215 12.4277 12.4277 12.7548 12.7548 17.6930 17.6930 18.3213 18.3213 19.9691 19.9691 21.5978 21.5978 k = 0.0938 0.4013 0.5016 ( 1524 PWs) bands (ev): 4.9958 4.9958 8.0927 8.0927 8.8300 8.8300 9.3376 9.3376 10.1956 10.1956 10.4499 10.4499 10.5050 10.5050 11.3391 11.3391 12.0451 12.0451 12.1582 12.1582 12.4671 12.4671 12.8072 12.8072 17.5618 17.5618 18.1897 18.1897 20.0097 20.0097 21.5739 21.5739 k = 0.1000 0.3947 0.5107 ( 1526 PWs) bands (ev): 5.0161 5.0161 8.0940 8.0940 8.7940 8.7940 9.3312 9.3312 10.1928 10.1928 10.4368 10.4368 10.4988 10.4988 11.3410 11.3410 12.0727 12.0727 12.1947 12.1947 12.5058 12.5058 12.8582 12.8582 17.4324 17.4324 18.0557 18.0557 20.0525 20.0525 21.5547 21.5547 k = 0.1062 0.3880 0.5198 ( 1524 PWs) bands (ev): 5.0372 5.0372 8.0947 8.0947 8.7552 8.7552 9.3266 9.3266 10.1903 10.1903 10.4249 10.4249 10.4957 10.4957 11.3453 11.3453 12.1006 12.1006 12.2306 12.2306 12.5433 12.5433 12.9075 12.9075 17.3054 17.3054 17.9204 17.9204 20.0978 20.0978 21.5398 21.5398 k = 0.1125 0.3814 0.5289 ( 1526 PWs) bands (ev): 5.0589 5.0589 8.0947 8.0947 8.7143 8.7143 9.3231 9.3231 10.1878 10.1878 10.4145 10.4145 10.4963 10.4963 11.3520 11.3520 12.1286 12.1286 12.2654 12.2654 12.5792 12.5792 12.9548 12.9548 17.1811 17.1811 17.7847 17.7847 20.1456 20.1456 21.5286 21.5286 k = 0.1187 0.3747 0.5380 ( 1522 PWs) bands (ev): 5.0813 5.0813 8.0939 8.0939 8.6717 8.6717 9.3205 9.3205 10.1850 10.1850 10.4051 10.4051 10.5017 10.5017 11.3610 11.3610 12.1566 12.1566 12.2990 12.2990 12.6134 12.6134 12.9998 12.9998 17.0601 17.0601 17.6497 17.6497 20.1959 20.1959 21.5210 21.5210 k = 0.1250 0.3681 0.5472 ( 1520 PWs) bands (ev): 5.1041 5.1041 8.0925 8.0925 8.6282 8.6282 9.3180 9.3180 10.1817 10.1817 10.3964 10.3964 10.5130 10.5130 11.3722 11.3722 12.1844 12.1844 12.3307 12.3307 12.6454 12.6454 13.0422 13.0422 16.9427 16.9427 17.5162 17.5162 20.2487 20.2487 21.5163 21.5163 k = 0.1313 0.3615 0.5563 ( 1520 PWs) bands (ev): 5.1272 5.1272 8.0904 8.0904 8.5841 8.5841 9.3155 9.3155 10.1776 10.1776 10.3880 10.3880 10.5310 10.5310 11.3855 11.3855 12.2117 12.2117 12.3603 12.3603 12.6752 12.6752 13.0817 13.0817 16.8294 16.8294 17.3850 17.3850 20.3041 20.3041 21.5142 21.5142 k = 0.1375 0.3548 0.5654 ( 1524 PWs) bands (ev): 5.1505 5.1505 8.0877 8.0877 8.5400 8.5400 9.3128 9.3128 10.1727 10.1727 10.3796 10.3796 10.5561 10.5561 11.4008 11.4008 12.2382 12.2382 12.3874 12.3874 12.7025 12.7025 13.1182 13.1182 16.7205 16.7205 17.2569 17.2569 20.3621 20.3621 21.5144 21.5144 k = 0.1437 0.3482 0.5745 ( 1518 PWs) bands (ev): 5.1739 5.1739 8.0844 8.0844 8.4963 8.4963 9.3095 9.3095 10.1672 10.1672 10.3711 10.3711 10.5882 10.5882 11.4179 11.4179 12.2636 12.2636 12.4116 12.4116 12.7273 12.7273 13.1514 13.1514 16.6166 16.6166 17.1327 17.1327 20.4227 20.4227 21.5165 21.5165 k = 0.1500 0.3415 0.5836 ( 1518 PWs) bands (ev): 5.1972 5.1972 8.0806 8.0806 8.4533 8.4533 9.3058 9.3058 10.1613 10.1613 10.3626 10.3626 10.6270 10.6270 11.4365 11.4365 12.2876 12.2876 12.4327 12.4327 12.7496 12.7496 13.1813 13.1813 16.5179 16.5179 17.0129 17.0129 20.4857 20.4857 21.5203 21.5203 k = 0.1562 0.3349 0.5928 ( 1522 PWs) bands (ev): 5.2203 5.2203 8.0762 8.0762 8.4113 8.4113 9.3016 9.3016 10.1551 10.1551 10.3542 10.3542 10.6722 10.6722 11.4564 11.4564 12.3094 12.3094 12.4503 12.4503 12.7695 12.7695 13.2077 13.2077 16.4248 16.4248 16.8982 16.8982 20.5511 20.5511 21.5253 21.5253 k = 0.1625 0.3283 0.6019 ( 1524 PWs) bands (ev): 5.2431 5.2431 8.0715 8.0715 8.3707 8.3707 9.2970 9.2970 10.1488 10.1488 10.3459 10.3459 10.7232 10.7232 11.4775 11.4775 12.3284 12.3284 12.4647 12.4647 12.7872 12.7872 13.2306 13.2306 16.3376 16.3376 16.7891 16.7891 20.6188 20.6188 21.5314 21.5314 k = 0.1688 0.3216 0.6110 ( 1524 PWs) bands (ev): 5.2653 5.2653 8.0663 8.0663 8.3319 8.3319 9.2921 9.2921 10.1427 10.1427 10.3379 10.3379 10.7795 10.7795 11.4994 11.4994 12.3432 12.3432 12.4761 12.4761 12.8028 12.8028 13.2500 13.2500 16.2566 16.2566 16.6862 16.6862 20.6886 20.6886 21.5383 21.5383 k = 0.1750 0.3150 0.6201 ( 1522 PWs) bands (ev): 5.2868 5.2868 8.0609 8.0609 8.2951 8.2951 9.2870 9.2870 10.1367 10.1367 10.3302 10.3302 10.8405 10.8405 11.5218 11.5218 12.3522 12.3522 12.4857 12.4857 12.8167 12.8167 13.2661 13.2661 16.1820 16.1820 16.5898 16.5898 20.7603 20.7603 21.5458 21.5458 k = 0.1812 0.3083 0.6292 ( 1520 PWs) bands (ev): 5.3074 5.3074 8.0551 8.0551 8.2606 8.2606 9.2818 9.2818 10.1311 10.1311 10.3230 10.3230 10.9056 10.9056 11.5445 11.5445 12.3533 12.3533 12.4949 12.4949 12.8290 12.8290 13.2790 13.2790 16.1140 16.1140 16.5003 16.5003 20.8337 20.8337 21.5535 21.5535 k = 0.1875 0.3017 0.6384 ( 1518 PWs) bands (ev): 5.3270 5.3270 8.0490 8.0490 8.2287 8.2287 9.2766 9.2766 10.1259 10.1259 10.3162 10.3162 10.9744 10.9744 11.5671 11.5671 12.3449 12.3449 12.5049 12.5049 12.8400 12.8400 13.2889 13.2889 16.0526 16.0526 16.4180 16.4180 20.9085 20.9085 21.5613 21.5613 k = 0.1938 0.2951 0.6475 ( 1520 PWs) bands (ev): 5.3453 5.3453 8.0426 8.0426 8.1997 8.1997 9.2716 9.2716 10.1211 10.1211 10.3100 10.3100 11.0461 11.0461 11.5893 11.5893 12.3266 12.3266 12.5159 12.5159 12.8498 12.8498 13.2963 13.2963 15.9979 15.9979 16.3431 16.3431 20.9842 20.9842 21.5689 21.5689 k = 0.2000 0.2884 0.6566 ( 1518 PWs) bands (ev): 5.3623 5.3623 8.0358 8.0358 8.1740 8.1740 9.2668 9.2668 10.1168 10.1168 10.3043 10.3043 11.1202 11.1202 11.6108 11.6108 12.2988 12.2988 12.5277 12.5277 12.8583 12.8583 13.3014 13.3014 15.9499 15.9499 16.2759 16.2759 21.0602 21.0602 21.5760 21.5760 k = 0.2062 0.2818 0.6657 ( 1520 PWs) bands (ev): 5.3778 5.3778 8.0288 8.0288 8.1517 8.1517 9.2623 9.2623 10.1130 10.1130 10.2992 10.2992 11.1961 11.1961 11.6312 11.6312 12.2625 12.2625 12.5396 12.5396 12.8656 12.8656 13.3046 13.3046 15.9084 15.9084 16.2163 16.2163 21.1357 21.1357 21.5824 21.5824 k = 0.2125 0.2751 0.6748 ( 1518 PWs) bands (ev): 5.3915 5.3915 8.0215 8.0215 8.1330 8.1330 9.2583 9.2583 10.1097 10.1097 10.2947 10.2947 11.2728 11.2728 11.6503 11.6503 12.2188 12.2188 12.5510 12.5510 12.8718 12.8718 13.3063 13.3063 15.8731 15.8731 16.1646 16.1646 21.2098 21.2098 21.5877 21.5877 k = 0.2188 0.2685 0.6840 ( 1514 PWs) bands (ev): 5.4034 5.4034 8.0142 8.0142 8.1179 8.1179 9.2548 9.2548 10.1069 10.1069 10.2909 10.2909 11.3492 11.3492 11.6678 11.6678 12.1691 12.1691 12.5613 12.5613 12.8768 12.8768 13.3070 13.3070 15.8440 15.8440 16.1207 16.1207 21.2812 21.2812 21.5915 21.5915 k = 0.2250 0.2618 0.6931 ( 1516 PWs) bands (ev): 5.4133 5.4133 8.0073 8.0073 8.1063 8.1063 9.2518 9.2518 10.1046 10.1046 10.2878 10.2878 11.4239 11.4239 11.6837 11.6837 12.1148 12.1148 12.5702 12.5702 12.8807 12.8807 13.3070 13.3070 15.8206 15.8206 16.0847 16.0847 21.3479 21.3479 21.5935 21.5935 k = 0.2313 0.2552 0.7022 ( 1518 PWs) bands (ev): 5.4212 5.4212 8.0013 8.0013 8.0977 8.0977 9.2495 9.2495 10.1028 10.1028 10.2854 10.2854 11.4939 11.4939 11.6985 11.6985 12.0582 12.0582 12.5775 12.5775 12.8836 12.8836 13.3066 13.3066 15.8028 15.8028 16.0567 16.0567 21.4077 21.4078 21.5929 21.5929 k = 0.2375 0.2486 0.7113 ( 1524 PWs) bands (ev): 5.4268 5.4268 7.9965 7.9965 8.0919 8.0919 9.2478 9.2478 10.1015 10.1015 10.2836 10.2836 11.5543 11.5543 11.7135 11.7135 12.0032 12.0032 12.5828 12.5828 12.8855 12.8855 13.3061 13.3061 15.7904 15.7904 16.0366 16.0366 21.4578 21.4578 21.5892 21.5892 k = 0.2437 0.2419 0.7204 ( 1526 PWs) bands (ev): 5.4303 5.4303 7.9935 7.9935 8.0886 8.0886 9.2467 9.2467 10.1008 10.1008 10.2825 10.2825 11.5962 11.5962 11.7290 11.7290 11.9578 11.9578 12.5861 12.5861 12.8867 12.8867 13.3058 13.3058 15.7829 15.7829 16.0246 16.0246 21.4939 21.4939 21.5829 21.5829 k = 0.2500 0.2353 0.7296 ( 1528 PWs) bands (ev): 5.4314 5.4314 7.9925 7.9925 8.0875 8.0875 9.2464 9.2464 10.1005 10.1005 10.2822 10.2822 11.6111 11.6111 11.7374 11.7374 11.9385 11.9385 12.5872 12.5872 12.8870 12.8870 13.3056 13.3056 15.7805 15.7805 16.0206 16.0206 21.5083 21.5083 21.5789 21.5789 k = 0.2500 0.2353 0.7296 ( 1528 PWs) bands (ev): 5.4314 5.4314 7.9925 7.9925 8.0875 8.0875 9.2464 9.2464 10.1005 10.1005 10.2822 10.2822 11.6111 11.6111 11.7374 11.7374 11.9385 11.9385 12.5872 12.5872 12.8870 12.8870 13.3056 13.3056 15.7805 15.7805 16.0206 16.0206 21.5083 21.5083 21.5789 21.5789 k = 0.2568 0.2416 0.7208 ( 1525 PWs) bands (ev): 5.4307 5.4307 7.9733 7.9733 8.1074 8.1074 9.2474 9.2474 10.0950 10.0950 10.2882 10.2882 11.6045 11.6045 11.7338 11.7338 11.9460 11.9460 12.5860 12.5860 12.8887 12.8887 13.3070 13.3070 15.7807 15.7807 16.0226 16.0226 21.4069 21.4069 21.6749 21.6749 k = 0.2635 0.2480 0.7121 ( 1522 PWs) bands (ev): 5.4289 5.4289 7.9389 7.9389 8.1442 8.1442 9.2503 9.2503 10.0810 10.0810 10.3036 10.3036 11.5856 11.5856 11.7238 11.7238 11.9670 11.9670 12.5823 12.5823 12.8932 12.8932 13.3105 13.3105 15.7821 15.7821 16.0280 16.0280 21.2660 21.2660 21.8017 21.8017 k = 0.2703 0.2544 0.7034 ( 1518 PWs) bands (ev): 5.4261 5.4261 7.9019 7.9019 8.1848 8.1848 9.2551 9.2551 10.0620 10.0620 10.3248 10.3248 11.5553 11.5553 11.7132 11.7132 11.9966 11.9966 12.5765 12.5765 12.8995 12.8995 13.3149 13.3149 15.7853 15.7853 16.0365 16.0365 21.1165 21.1165 21.9302 21.9302 k = 0.2770 0.2607 0.6946 ( 1513 PWs) bands (ev): 5.4225 5.4225 7.8653 7.8653 8.2261 8.2261 9.2619 9.2619 10.0407 10.0407 10.3487 10.3487 11.5155 11.5155 11.7059 11.7059 12.0298 12.0298 12.5691 12.5691 12.9066 12.9066 13.3192 13.3192 15.7909 15.7909 16.0477 16.0477 20.9624 20.9624 22.0573 22.0573 k = 0.2838 0.2671 0.6859 ( 1511 PWs) bands (ev): 5.4182 5.4182 7.8302 7.8302 8.2669 8.2669 9.2708 9.2708 10.0187 10.0187 10.3731 10.3731 11.4699 11.4699 11.7027 11.7027 12.0637 12.0637 12.5605 12.5605 12.9136 12.9136 13.3227 13.3227 15.7989 15.7989 16.0615 16.0615 20.8062 20.8062 22.1797 22.1797 k = 0.2905 0.2734 0.6772 ( 1513 PWs) bands (ev): 5.4134 5.4134 7.7970 7.7970 8.3068 8.3068 9.2817 9.2817 9.9971 9.9971 10.3962 10.3962 11.4219 11.4219 11.7030 11.7030 12.0964 12.0964 12.5513 12.5513 12.9199 12.9199 13.3245 13.3245 15.8092 15.8092 16.0777 16.0777 20.6500 20.6500 22.2920 22.2920 k = 0.2973 0.2798 0.6684 ( 1512 PWs) bands (ev): 5.4083 5.4083 7.7659 7.7659 8.3451 8.3451 9.2948 9.2948 9.9764 9.9764 10.4167 10.4167 11.3746 11.3746 11.7061 11.7061 12.1267 12.1267 12.5421 12.5421 12.9249 12.9249 13.3244 13.3244 15.8215 15.8215 16.0962 16.0962 20.4959 20.4959 22.3877 22.3877 k = 0.3041 0.2862 0.6597 ( 1512 PWs) bands (ev): 5.4029 5.4029 7.7370 7.7370 8.3816 8.3816 9.3100 9.3100 9.9570 9.9570 10.4331 10.4331 11.3302 11.3302 11.7116 11.7116 12.1538 12.1538 12.5333 12.5333 12.9282 12.9282 13.3219 13.3219 15.8350 15.8350 16.1171 16.1171 20.3456 20.3456 22.4619 22.4619 k = 0.3108 0.2925 0.6510 ( 1517 PWs) bands (ev): 5.3976 5.3976 7.7105 7.7105 8.4160 8.4160 9.3274 9.3274 9.9392 9.9392 10.4441 10.4441 11.2908 11.2908 11.7192 11.7192 12.1769 12.1769 12.5258 12.5258 12.9294 12.9294 13.3173 13.3173 15.8490 15.8490 16.1398 16.1398 20.2010 20.2010 22.5154 22.5154 k = 0.3176 0.2989 0.6422 ( 1519 PWs) bands (ev): 5.3922 5.3922 7.6865 7.6865 8.4478 8.4478 9.3471 9.3471 9.9231 9.9231 10.4485 10.4485 11.2581 11.2581 11.7285 11.7285 12.1953 12.1953 12.5202 12.5202 12.9282 12.9282 13.3105 13.3105 15.8626 15.8626 16.1639 16.1639 20.0640 20.0640 22.5535 22.5535 k = 0.3243 0.3052 0.6335 ( 1517 PWs) bands (ev): 5.3871 5.3871 7.6649 7.6649 8.4769 8.4769 9.3691 9.3691 9.9089 9.9089 10.4453 10.4453 11.2330 11.2330 11.7396 11.7396 12.2083 12.2083 12.5170 12.5170 12.9245 12.9245 13.3021 13.3021 15.8753 15.8753 16.1884 16.1884 19.9364 19.9364 22.5816 22.5816 k = 0.3311 0.3116 0.6248 ( 1523 PWs) bands (ev): 5.3822 5.3822 7.6460 7.6460 8.5028 8.5028 9.3933 9.3933 9.8965 9.8965 10.4345 10.4345 11.2162 11.2162 11.7521 11.7521 12.2158 12.2158 12.5166 12.5166 12.9183 12.9183 13.2925 13.2925 15.8864 15.8864 16.2119 16.2119 19.8204 19.8204 22.6032 22.6032 k = 0.3378 0.3180 0.6160 ( 1522 PWs) bands (ev): 5.3777 5.3777 7.6297 7.6297 8.5254 8.5254 9.4196 9.4196 9.8860 9.8860 10.4163 10.4163 11.2072 11.2072 11.7661 11.7661 12.2175 12.2175 12.5187 12.5187 12.9097 12.9097 13.2820 13.2820 15.8955 15.8955 16.2327 16.2327 19.7179 19.7179 22.6205 22.6205 k = 0.3446 0.3243 0.6073 ( 1524 PWs) bands (ev): 5.3737 5.3737 7.6161 7.6161 8.5444 8.5444 9.4478 9.4478 9.8775 9.8775 10.3920 10.3920 11.2053 11.2053 11.7813 11.7813 12.2141 12.2141 12.5228 12.5228 12.8992 12.8992 13.2713 13.2713 15.9021 15.9021 16.2490 16.2490 19.6313 19.6313 22.6349 22.6349 k = 0.3514 0.3307 0.5986 ( 1525 PWs) bands (ev): 5.3702 5.3702 7.6053 7.6053 8.5598 8.5598 9.4777 9.4777 9.8707 9.8707 10.3631 10.3631 11.2090 11.2090 11.7976 11.7976 12.2061 12.2061 12.5278 12.5278 12.8875 12.8875 13.2607 13.2607 15.9061 15.9061 16.2590 16.2590 19.5624 19.5624 22.6470 22.6470 k = 0.3581 0.3370 0.5898 ( 1528 PWs) bands (ev): 5.3673 5.3673 7.5973 7.5973 8.5713 8.5713 9.5087 9.5087 9.8656 9.8656 10.3315 10.3315 11.2169 11.2169 11.8148 11.8148 12.1943 12.1943 12.5324 12.5324 12.8755 12.8755 13.2505 13.2505 15.9068 15.9068 16.2612 16.2612 19.5130 19.5130 22.6576 22.6576 k = 0.3649 0.3434 0.5811 ( 1524 PWs) bands (ev): 5.3651 5.3651 7.5921 7.5921 8.5790 8.5790 9.5404 9.5404 9.8621 9.8621 10.2990 10.2990 11.2276 11.2276 11.8327 11.8327 12.1795 12.1795 12.5351 12.5351 12.8644 12.8644 13.2411 13.2411 15.9037 15.9037 16.2549 16.2549 19.4845 19.4845 22.6669 22.6669 k = 0.3716 0.3497 0.5724 ( 1525 PWs) bands (ev): 5.3635 5.3635 7.5897 7.5897 8.5827 8.5827 9.5720 9.5720 9.8596 9.8596 10.2676 10.2676 11.2400 11.2400 11.8509 11.8509 12.1624 12.1624 12.5345 12.5345 12.8556 12.8556 13.2325 13.2325 15.8958 15.8958 16.2402 16.2402 19.4775 19.4775 22.6752 22.6752 k = 0.3784 0.3561 0.5636 ( 1525 PWs) bands (ev): 5.3626 5.3626 7.5902 7.5902 8.5826 8.5826 9.6029 9.6029 9.8577 9.8577 10.2390 10.2390 11.2531 11.2531 11.8692 11.8692 12.1436 12.1436 12.5297 12.5297 12.8500 12.8500 13.2252 13.2252 15.8816 15.8816 16.2184 16.2184 19.4920 19.4920 22.6828 22.6828 k = 0.3851 0.3625 0.5549 ( 1526 PWs) bands (ev): 5.3624 5.3624 7.5936 7.5936 8.5787 8.5787 9.6321 9.6321 9.8560 9.8560 10.2151 10.2151 11.2663 11.2663 11.8871 11.8871 12.1237 12.1237 12.5201 12.5201 12.8482 12.8482 13.2192 13.2192 15.8592 15.8592 16.1920 16.1920 19.5274 19.5274 22.6898 22.6898 k = 0.3919 0.3688 0.5462 ( 1532 PWs) bands (ev): 5.3629 5.3629 7.5999 7.5999 8.5710 8.5710 9.6586 9.6586 9.8538 9.8538 10.1976 10.1976 11.2791 11.2791 11.9041 11.9041 12.1033 12.1033 12.5061 12.5061 12.8498 12.8498 13.2149 13.2149 15.8265 15.8265 16.1644 16.1644 19.5825 19.5825 22.6964 22.6964 k = 0.3986 0.3752 0.5374 ( 1530 PWs) bands (ev): 5.3641 5.3641 7.6091 7.6091 8.5597 8.5597 9.6811 9.6811 9.8513 9.8513 10.1875 10.1875 11.2914 11.2914 11.9194 11.9194 12.0829 12.0829 12.4884 12.4884 12.8539 12.8539 13.2127 13.2127 15.7821 15.7821 16.1386 16.1386 19.6556 19.6556 22.7027 22.7027 k = 0.4054 0.3815 0.5287 ( 1524 PWs) bands (ev): 5.3660 5.3660 7.6212 7.6212 8.5448 8.5448 9.6979 9.6979 9.8495 9.8495 10.1851 10.1851 11.3030 11.3030 11.9319 11.9319 12.0636 12.0636 12.4683 12.4683 12.8594 12.8594 13.2129 13.2129 15.7259 15.7259 16.1167 16.1167 19.7449 19.7449 22.7090 22.7090 k = 0.4122 0.3879 0.5200 ( 1524 PWs) bands (ev): 5.3685 5.3685 7.6361 7.6361 8.5266 8.5266 9.7073 9.7073 9.8505 9.8505 10.1898 10.1898 11.3141 11.3141 11.9402 11.9402 12.0467 12.0467 12.4469 12.4469 12.8646 12.8646 13.2159 13.2159 15.6595 15.6595 16.0990 16.0990 19.8484 19.8484 22.7154 22.7154 k = 0.4189 0.3943 0.5112 ( 1522 PWs) bands (ev): 5.3715 5.3715 7.6540 7.6540 8.5051 8.5051 9.7083 9.7083 9.8561 9.8561 10.2000 10.2000 11.3250 11.3250 11.9423 11.9423 12.0339 12.0339 12.4256 12.4256 12.8685 12.8685 13.2219 13.2219 15.5857 15.5857 16.0850 16.0850 19.9641 19.9641 22.7220 22.7220 k = 0.4257 0.4006 0.5025 ( 1525 PWs) bands (ev): 5.3751 5.3751 7.6746 7.6746 8.4806 8.4806 9.7017 9.7017 9.8668 9.8668 10.2138 10.2138 11.3358 11.3358 11.9372 11.9372 12.0261 12.0261 12.4054 12.4054 12.8702 12.8702 13.2309 13.2309 15.5073 15.5073 16.0738 16.0738 20.0904 20.0904 22.7292 22.7292 k = 0.4324 0.4070 0.4938 ( 1528 PWs) bands (ev): 5.3790 5.3790 7.6981 7.6981 8.4533 8.4533 9.6898 9.6898 9.8815 9.8815 10.2293 10.2293 11.3470 11.3470 11.9258 11.9258 12.0218 12.0218 12.3873 12.3873 12.8691 12.8691 13.2425 13.2425 15.4271 15.4271 16.0646 16.0646 20.2253 20.2253 22.7370 22.7370 k = 0.4392 0.4133 0.4851 ( 1528 PWs) bands (ev): 5.3832 5.3832 7.7243 7.7243 8.4233 8.4233 9.6751 9.6751 9.8987 9.8987 10.2448 10.2448 11.3586 11.3586 11.9110 11.9110 12.0185 12.0185 12.3720 12.3720 12.8651 12.8651 13.2560 13.2560 15.3475 15.3475 16.0568 16.0568 20.3673 20.3673 22.7459 22.7459 k = 0.4459 0.4197 0.4763 ( 1528 PWs) bands (ev): 5.3877 5.3877 7.7532 7.7532 8.3910 8.3910 9.6590 9.6590 9.9174 9.9174 10.2590 10.2590 11.3709 11.3709 11.8947 11.8947 12.0141 12.0141 12.3599 12.3599 12.8586 12.8586 13.2704 13.2704 15.2709 15.2709 16.0500 16.0500 20.5149 20.5149 22.7561 22.7561 k = 0.4527 0.4261 0.4676 ( 1522 PWs) bands (ev): 5.3922 5.3922 7.7846 7.7846 8.3565 8.3565 9.6429 9.6429 9.9370 9.9370 10.2709 10.2709 11.3834 11.3834 11.8784 11.8784 12.0079 12.0079 12.3510 12.3510 12.8499 12.8499 13.2848 13.2848 15.1992 15.1992 16.0440 16.0440 20.6664 20.6664 22.7679 22.7679 k = 0.4595 0.4324 0.4589 ( 1524 PWs) bands (ev): 5.3967 5.3967 7.8185 7.8185 8.3203 8.3203 9.6271 9.6271 9.9566 9.9566 10.2803 10.2803 11.3956 11.3956 11.8630 11.8630 12.0001 12.0001 12.3450 12.3450 12.8396 12.8396 13.2981 13.2981 15.1341 15.1341 16.0385 16.0385 20.8204 20.8204 22.7818 22.7818 k = 0.4662 0.4388 0.4501 ( 1526 PWs) bands (ev): 5.4010 5.4010 7.8547 7.8547 8.2827 8.2827 9.6123 9.6123 9.9756 9.9756 10.2872 10.2872 11.4062 11.4062 11.8491 11.8491 11.9917 11.9917 12.3410 12.3410 12.8284 12.8284 13.3095 13.3095 15.0772 15.0772 16.0334 16.0334 20.9751 20.9751 22.7982 22.7982 k = 0.4730 0.4451 0.4414 ( 1524 PWs) bands (ev): 5.4049 5.4049 7.8928 7.8928 8.2441 8.2441 9.5985 9.5985 9.9930 9.9930 10.2924 10.2924 11.4137 11.4137 11.8374 11.8374 11.9838 11.9838 12.3382 12.3382 12.8169 12.8169 13.3184 13.3184 15.0296 15.0296 16.0286 16.0286 21.1287 21.1287 22.8173 22.8173 k = 0.4797 0.4515 0.4327 ( 1522 PWs) bands (ev): 5.4082 5.4082 7.9321 7.9321 8.2055 8.2055 9.5860 9.5860 10.0078 10.0078 10.2970 10.2970 11.4162 11.4162 11.8284 11.8284 11.9778 11.9778 12.3356 12.3356 12.8060 12.8060 13.3246 13.3246 14.9923 14.9923 16.0243 16.0243 21.2794 21.2794 22.8393 22.8393 k = 0.4865 0.4578 0.4239 ( 1522 PWs) bands (ev): 5.4108 5.4108 7.9709 7.9709 8.1687 8.1687 9.5748 9.5748 10.0185 10.0185 10.3027 10.3027 11.4119 11.4119 11.8223 11.8223 11.9748 11.9748 12.3323 12.3323 12.7964 12.7964 13.3285 13.3285 14.9655 14.9655 16.0202 16.0202 21.4248 21.4248 22.8629 22.8629 k = 0.4932 0.4642 0.4152 ( 1520 PWs) bands (ev): 5.4126 5.4126 8.0035 8.0035 8.1395 8.1395 9.5648 9.5648 10.0240 10.0240 10.3111 10.3111 11.3997 11.3997 11.8187 11.8187 11.9756 11.9756 12.3273 12.3273 12.7890 12.7890 13.3307 13.3307 14.9494 14.9494 16.0166 16.0166 21.5623 21.5623 22.8841 22.8841 k = 0.5000 0.4706 0.4065 ( 1522 PWs) bands (ev): 5.4131 5.4131 8.0136 8.0136 8.1345 8.1345 9.5560 9.5560 10.0235 10.0235 10.3234 10.3234 11.3795 11.3795 11.8168 11.8168 11.9803 11.9803 12.3202 12.3202 12.7845 12.7845 13.3325 13.3325 14.9436 14.9436 16.0133 16.0133 21.6894 21.6894 22.8924 22.8924 k = 0.5000 0.4706 0.4065 ( 1522 PWs) bands (ev): 5.4131 5.4131 8.0136 8.0136 8.1345 8.1345 9.5560 9.5560 10.0235 10.0235 10.3234 10.3234 11.3795 11.3795 11.8168 11.8168 11.9803 11.9803 12.3202 12.3202 12.7845 12.7845 13.3325 13.3325 14.9436 14.9436 16.0133 16.0133 21.6894 21.6894 22.8924 22.8924 k = 0.5000 0.4706 0.3938 ( 1522 PWs) bands (ev): 5.4128 5.4128 7.9764 7.9764 8.1798 8.1798 9.5450 9.5450 10.0127 10.0127 10.3485 10.3485 11.3473 11.3473 11.8145 11.8145 11.9869 11.9869 12.3063 12.3063 12.7849 12.7849 13.3386 13.3386 14.9421 14.9421 16.0085 16.0085 21.8656 21.8656 22.8424 22.8424 k = 0.5000 0.4706 0.3811 ( 1522 PWs) bands (ev): 5.4119 5.4119 7.9176 7.9176 8.2458 8.2458 9.5360 9.5360 9.9922 9.9922 10.3803 10.3803 11.3214 11.3214 11.8119 11.8119 11.9880 11.9880 12.2890 12.2890 12.7943 12.7943 13.3504 13.3504 14.9401 14.9401 16.0029 16.0029 22.0415 22.0415 22.7253 22.7253 k = 0.5000 0.4706 0.3684 ( 1520 PWs) bands (ev): 5.4105 5.4105 7.8535 7.8535 8.3164 8.3164 9.5289 9.5289 9.9641 9.9641 10.4166 10.4166 11.3015 11.3015 11.8083 11.8083 11.9841 11.9841 12.2695 12.2695 12.8118 12.8118 13.3679 13.3679 14.9377 14.9377 15.9965 15.9965 22.2158 22.2158 22.5817 22.5817 k = 0.5000 0.4706 0.3557 ( 1520 PWs) bands (ev): 5.4085 5.4085 7.7873 7.7873 8.3881 8.3881 9.5238 9.5238 9.9306 9.9306 10.4555 10.4555 11.2872 11.2872 11.8030 11.8030 11.9764 11.9764 12.2495 12.2495 12.8363 12.8363 13.3905 13.3905 14.9349 14.9349 15.9891 15.9891 22.3706 22.3706 22.4468 22.4468 k = 0.5000 0.4706 0.3430 ( 1516 PWs) bands (ev): 5.4060 5.4060 7.7201 7.7201 8.4600 8.4600 9.5204 9.5204 9.8937 9.8937 10.4954 10.4954 11.2779 11.2779 11.7946 11.7946 11.9664 11.9664 12.2312 12.2312 12.8664 12.8664 13.4178 13.4178 14.9319 14.9319 15.9807 15.9807 22.2619 22.2619 22.5697 22.5697 k = 0.5000 0.4706 0.3302 ( 1518 PWs) bands (ev): 5.4030 5.4030 7.6524 7.6524 8.5313 8.5313 9.5185 9.5185 9.8550 9.8550 10.5349 10.5349 11.2728 11.2728 11.7816 11.7816 11.9551 11.9551 12.2171 12.2171 12.9011 12.9011 13.4492 13.4492 14.9287 14.9287 15.9710 15.9710 22.1057 22.1057 22.7347 22.7347 k = 0.5000 0.4706 0.3175 ( 1518 PWs) bands (ev): 5.3995 5.3995 7.5846 7.5846 8.6018 8.6018 9.5175 9.5175 9.8160 9.8160 10.5730 10.5730 11.2712 11.2712 11.7630 11.7630 11.9429 11.9429 12.2103 12.2103 12.9393 12.9393 13.4841 13.4841 14.9254 14.9254 15.9602 15.9602 21.9489 21.9489 22.8911 22.8911 k = 0.5000 0.4706 0.3048 ( 1518 PWs) bands (ev): 5.3955 5.3955 7.5170 7.5170 8.6712 8.6712 9.5169 9.5169 9.7783 9.7783 10.6091 10.6091 11.2720 11.2720 11.7386 11.7386 11.9290 11.9290 12.2136 12.2136 12.9802 12.9802 13.5220 13.5220 14.9221 14.9221 15.9479 15.9479 21.7933 21.7933 23.0248 23.0248 k = 0.5000 0.4706 0.2921 ( 1518 PWs) bands (ev): 5.3911 5.3911 7.4499 7.4499 8.7392 8.7392 9.5152 9.5152 9.7438 9.7438 10.6426 10.6426 11.2745 11.2745 11.7091 11.7091 11.9121 11.9121 12.2291 12.2291 13.0232 13.0232 13.5621 13.5621 14.9187 14.9187 15.9340 15.9340 21.6397 21.6397 23.1047 23.1047 k = 0.5000 0.4706 0.2794 ( 1516 PWs) bands (ev): 5.3863 5.3863 7.3837 7.3837 8.8056 8.8056 9.5107 9.5107 9.7149 9.7149 10.6732 10.6732 11.2778 11.2778 11.6756 11.6756 11.8919 11.8919 12.2575 12.2575 13.0676 13.0676 13.6041 13.6041 14.9154 14.9154 15.9185 15.9185 21.4887 21.4887 23.1059 23.1059 k = 0.5000 0.4706 0.2667 ( 1512 PWs) bands (ev): 5.3812 5.3812 7.3184 7.3184 8.8702 8.8702 9.5010 9.5010 9.6942 9.6942 10.7005 10.7005 11.2811 11.2811 11.6392 11.6392 11.8690 11.8690 12.2984 12.2984 13.1131 13.1131 13.6474 13.6474 14.9122 14.9122 15.9012 15.9012 21.3405 21.3405 23.0556 23.0556 k = 0.5000 0.4706 0.2540 ( 1512 PWs) bands (ev): 5.3757 5.3757 7.2545 7.2545 8.9328 8.9328 9.4847 9.4847 9.6834 9.6834 10.7247 10.7247 11.2839 11.2839 11.6008 11.6008 11.8440 11.8440 12.3504 12.3504 13.1594 13.1594 13.6915 13.6915 14.9093 14.9093 15.8819 15.8819 21.1956 21.1956 22.9846 22.9846 k = 0.5000 0.4706 0.2413 ( 1512 PWs) bands (ev): 5.3701 5.3701 7.1922 7.1922 8.9933 8.9933 9.4621 9.4621 9.6823 9.6823 10.7458 10.7458 11.2855 11.2855 11.5613 11.5613 11.8181 11.8181 12.4123 12.4123 13.2061 13.2061 13.7360 13.7360 14.9065 14.9065 15.8604 15.8604 21.0544 21.0544 22.9059 22.9059 k = 0.5000 0.4706 0.2286 ( 1510 PWs) bands (ev): 5.3642 5.3642 7.1317 7.1317 9.0515 9.0515 9.4352 9.4352 9.6890 9.6890 10.7639 10.7639 11.2855 11.2855 11.5215 11.5215 11.7920 11.7920 12.4825 12.4825 13.2531 13.2531 13.7805 13.7805 14.9041 14.9041 15.8367 15.8367 20.9171 20.9171 22.8245 22.8245 k = 0.5000 0.4706 0.2159 ( 1514 PWs) bands (ev): 5.3582 5.3582 7.0731 7.0731 9.1072 9.1072 9.4063 9.4063 9.7014 9.7014 10.7793 10.7793 11.2832 11.2832 11.4824 11.4824 11.7663 11.7663 12.5597 12.5597 13.3004 13.3004 13.8247 13.8247 14.9020 14.9020 15.8104 15.8104 20.7840 20.7840 22.7429 22.7429 k = 0.5000 0.4706 0.2032 ( 1518 PWs) bands (ev): 5.3522 5.3522 7.0168 7.0168 9.1603 9.1603 9.3768 9.3768 9.7180 9.7180 10.7921 10.7921 11.2779 11.2779 11.4448 11.4448 11.7415 11.7415 12.6425 12.6425 13.3478 13.3478 13.8682 13.8682 14.9003 14.9003 15.7816 15.7816 20.6557 20.6557 22.6625 22.6625 k = 0.5000 0.4706 0.1905 ( 1518 PWs) bands (ev): 5.3462 5.3462 6.9630 6.9630 9.2105 9.2105 9.3479 9.3479 9.7376 9.7376 10.8025 10.8025 11.2686 11.2686 11.4103 11.4103 11.7181 11.7181 12.7294 12.7294 13.3954 13.3954 13.9106 13.9106 14.8990 14.8990 15.7499 15.7499 20.5323 20.5323 22.5842 22.5842 k = 0.5000 0.4706 0.1778 ( 1518 PWs) bands (ev): 5.3402 5.3402 6.9117 6.9117 9.2565 9.2565 9.3215 9.3215 9.7595 9.7595 10.8107 10.8107 11.2543 11.2543 11.3801 11.3801 11.6964 11.6964 12.8190 12.8190 13.4436 13.4436 13.9516 13.9516 14.8983 14.8983 15.7152 15.7152 20.4144 20.4144 22.5087 22.5087 k = 0.5000 0.4706 0.1651 ( 1518 PWs) bands (ev): 5.3343 5.3343 6.8633 6.8633 9.2814 9.2814 9.3147 9.3147 9.7833 9.7833 10.8168 10.8168 11.2342 11.2342 11.3554 11.3554 11.6766 11.6766 12.9096 12.9096 13.4926 13.4926 13.9910 13.9910 14.8980 14.8980 15.6775 15.6775 20.3022 20.3022 22.4365 22.4365 k = 0.5000 0.4706 0.1524 ( 1518 PWs) bands (ev): 5.3287 5.3287 6.8178 6.8178 9.2626 9.2626 9.3502 9.3502 9.8083 9.8083 10.8208 10.8208 11.2093 11.2093 11.3358 11.3358 11.6588 11.6588 12.9995 12.9995 13.5430 13.5430 14.0285 14.0285 14.8984 14.8984 15.6366 15.6366 20.1962 20.1962 22.3679 22.3679 k = 0.5000 0.4706 0.1397 ( 1522 PWs) bands (ev): 5.3232 5.3232 6.7754 6.7754 9.2400 9.2400 9.3884 9.3884 9.8343 9.8343 10.8227 10.8227 11.1816 11.1816 11.3199 11.3199 11.6432 11.6432 13.0867 13.0867 13.5958 13.5958 14.0640 14.0640 14.8993 14.8993 15.5924 15.5924 20.0968 20.0968 22.3035 22.3035 k = 0.5000 0.4706 0.1270 ( 1522 PWs) bands (ev): 5.3180 5.3180 6.7362 6.7362 9.2186 9.2186 9.4241 9.4241 9.8609 9.8609 10.8223 10.8223 11.1533 11.1533 11.3061 11.3061 11.6296 11.6296 13.1689 13.1689 13.6517 13.6517 14.0971 14.0971 14.9009 14.9009 15.5451 15.5451 20.0043 20.0043 22.2435 22.2435 k = 0.5000 0.4706 0.1143 ( 1526 PWs) bands (ev): 5.3132 5.3132 6.7004 6.7004 9.1990 9.1990 9.4568 9.4568 9.8876 9.8876 10.8196 10.8196 11.1264 11.1264 11.2934 11.2934 11.6182 11.6182 13.2440 13.2440 13.7116 13.7116 14.1279 14.1279 14.9032 14.9032 15.4946 15.4946 19.9192 19.9192 22.1883 22.1883 k = 0.5000 0.4706 0.1016 ( 1522 PWs) bands (ev): 5.3088 5.3088 6.6681 6.6681 9.1813 9.1813 9.4863 9.4863 9.9139 9.9139 10.8144 10.8144 11.1021 11.1021 11.2814 11.2814 11.6086 11.6086 13.3105 13.3105 13.7758 13.7758 14.1562 14.1562 14.9063 14.9063 15.4412 15.4412 19.8419 19.8419 22.1381 22.1381 k = 0.5000 0.4706 0.0889 ( 1522 PWs) bands (ev): 5.3047 5.3047 6.6394 6.6394 9.1655 9.1655 9.5126 9.5126 9.9395 9.9395 10.8069 10.8069 11.0813 11.0813 11.2700 11.2700 11.6008 11.6008 13.3672 13.3672 13.8437 13.8437 14.1821 14.1821 14.9103 14.9103 15.3853 15.3853 19.7726 19.7726 22.0933 22.0933 k = 0.5000 0.4706 0.0762 ( 1514 PWs) bands (ev): 5.3012 5.3012 6.6143 6.6143 9.1519 9.1519 9.5355 9.5355 9.9638 9.9638 10.7972 10.7972 11.0643 11.0643 11.2592 11.2592 11.5945 11.5945 13.4141 13.4141 13.9133 13.9133 14.2058 14.2058 14.9155 14.9155 15.3275 15.3275 19.7119 19.7119 22.0539 22.0539 k = 0.5000 0.4706 0.0635 ( 1518 PWs) bands (ev): 5.2981 5.2981 6.5929 6.5929 9.1403 9.1403 9.5550 9.5550 9.9861 9.9861 10.7862 10.7862 11.0513 11.0513 11.2493 11.2493 11.5896 11.5896 13.4518 13.4518 13.9814 13.9814 14.2276 14.2276 14.9222 14.9222 15.2686 15.2686 19.6599 19.6599 22.0203 22.0203 k = 0.5000 0.4706 0.0508 ( 1518 PWs) bands (ev): 5.2955 5.2955 6.5754 6.5754 9.1308 9.1308 9.5710 9.5710 10.0057 10.0057 10.7749 10.7749 11.0418 11.0418 11.2407 11.2407 11.5859 11.5859 13.4813 13.4813 14.0440 14.0440 14.2483 14.2483 14.9310 14.9310 15.2099 15.2099 19.6170 19.6170 21.9925 21.9925 k = 0.5000 0.4706 0.0381 ( 1530 PWs) bands (ev): 5.2935 5.2935 6.5617 6.5617 9.1234 9.1234 9.5835 9.5835 10.0220 10.0220 10.7643 10.7643 11.0354 11.0354 11.2335 11.2335 11.5831 11.5831 13.5033 13.5033 14.0963 14.0963 14.2684 14.2684 14.9430 14.9430 15.1531 15.1531 19.5834 19.5834 21.9708 21.9708 k = 0.5000 0.4706 0.0254 ( 1526 PWs) bands (ev): 5.2920 5.2920 6.5519 6.5519 9.1181 9.1181 9.5925 9.5925 10.0342 10.0342 10.7557 10.7557 11.0313 11.0313 11.2281 11.2281 11.5812 11.5812 13.5185 13.5185 14.1344 14.1344 14.2872 14.2872 14.9595 14.9595 15.1002 15.1002 19.5592 19.5592 21.9551 21.9551 k = 0.5000 0.4706 0.0127 ( 1522 PWs) bands (ev): 5.2912 5.2912 6.5460 6.5460 9.1149 9.1149 9.5978 9.5978 10.0419 10.0419 10.7502 10.7502 11.0291 11.0291 11.2247 11.2247 11.5802 11.5802 13.5275 13.5275 14.1566 14.1566 14.3017 14.3017 14.9819 14.9819 15.0536 15.0536 19.5447 19.5447 21.9457 21.9457 k = 0.5000 0.4706 0.0000 ( 1516 PWs) bands (ev): 5.2909 5.2909 6.5441 6.5441 9.1138 9.1138 9.5996 9.5996 10.0445 10.0445 10.7482 10.7482 11.0284 11.0284 11.2236 11.2236 11.5798 11.5798 13.5304 13.5304 14.1637 14.1637 14.3073 14.3073 15.0058 15.0058 15.0213 15.0213 19.5398 19.5398 21.9426 21.9426 k = 0.0000 0.0000 0.7296 ( 1512 PWs) bands (ev): 5.3572 5.3572 6.9563 6.9563 9.0221 9.0221 9.4559 9.4559 10.1344 10.1344 10.5665 10.5665 10.7755 10.7755 11.6405 11.6405 12.1782 12.1782 13.2581 13.2581 13.7652 13.7652 14.0736 14.0736 14.5434 14.5434 16.0382 16.0382 18.5807 18.5807 21.4177 21.4177 k = 0.0093 0.0087 0.7296 ( 1520 PWs) bands (ev): 5.3575 5.3575 6.9582 6.9582 9.0206 9.0206 9.4565 9.4565 10.1265 10.1265 10.5747 10.5747 10.7762 10.7762 11.6405 11.6405 12.1785 12.1785 13.2537 13.2537 13.7568 13.7568 14.0636 14.0636 14.5613 14.5613 16.0382 16.0382 18.5855 18.5855 21.4203 21.4203 k = 0.0185 0.0174 0.7296 ( 1520 PWs) bands (ev): 5.3582 5.3582 6.9636 6.9636 9.0161 9.0161 9.4582 9.4582 10.1046 10.1046 10.5971 10.5971 10.7789 10.7789 11.6405 11.6405 12.1795 12.1795 13.2402 13.2402 13.7325 13.7325 14.0390 14.0390 14.6091 14.6091 16.0381 16.0381 18.6000 18.6000 21.4281 21.4281 k = 0.0278 0.0261 0.7296 ( 1524 PWs) bands (ev): 5.3594 5.3594 6.9726 6.9726 9.0086 9.0086 9.4611 9.4611 10.0727 10.0727 10.6283 10.6283 10.7849 10.7849 11.6405 11.6405 12.1810 12.1810 13.2169 13.2169 13.6947 13.6947 14.0091 14.0091 14.6759 14.6759 16.0380 16.0380 18.6242 18.6242 21.4410 21.4410 k = 0.0370 0.0349 0.7296 ( 1524 PWs) bands (ev): 5.3610 5.3610 6.9852 6.9852 8.9982 8.9982 9.4649 9.4649 10.0348 10.0348 10.6614 10.6614 10.7973 10.7973 11.6406 11.6406 12.1830 12.1830 13.1830 13.1830 13.6483 13.6483 13.9791 13.9791 14.7529 14.7529 16.0378 16.0378 18.6581 18.6581 21.4590 21.4590 k = 0.0463 0.0436 0.7296 ( 1524 PWs) bands (ev): 5.3631 5.3631 7.0014 7.0014 8.9848 8.9848 9.4695 9.4695 9.9939 9.9939 10.6883 10.6883 10.8212 10.8212 11.6406 11.6406 12.1854 12.1854 13.1378 13.1378 13.5988 13.5988 13.9502 13.9502 14.8344 14.8344 16.0376 16.0376 18.7016 18.7016 21.4820 21.4820 k = 0.0556 0.0523 0.7296 ( 1522 PWs) bands (ev): 5.3656 5.3656 7.0211 7.0211 8.9684 8.9684 9.4746 9.4746 9.9522 9.9522 10.7043 10.7043 10.8592 10.8592 11.6406 11.6406 12.1879 12.1879 13.0816 13.0816 13.5504 13.5504 13.9217 13.9217 14.9170 14.9170 16.0373 16.0373 18.7546 18.7546 21.5096 21.5096 k = 0.0648 0.0610 0.7296 ( 1522 PWs) bands (ev): 5.3685 5.3685 7.0442 7.0442 8.9491 8.9491 9.4797 9.4797 9.9114 9.9114 10.7110 10.7110 10.9084 10.9084 11.6406 11.6406 12.1903 12.1903 13.0160 13.0160 13.5055 13.5055 13.8927 13.8927 14.9986 14.9986 16.0369 16.0369 18.8171 18.8171 21.5420 21.5420 k = 0.0741 0.0697 0.7296 ( 1526 PWs) bands (ev): 5.3717 5.3717 7.0706 7.0706 8.9270 8.9270 9.4843 9.4843 9.8729 9.8729 10.7119 10.7119 10.9642 10.9642 11.6406 11.6406 12.1920 12.1920 12.9438 12.9438 13.4644 13.4644 13.8626 13.8626 15.0778 15.0778 16.0365 16.0365 18.8890 18.8890 21.5788 21.5788 k = 0.0833 0.0784 0.7296 ( 1520 PWs) bands (ev): 5.3753 5.3753 7.1004 7.1004 8.9020 8.9020 9.4875 9.4875 9.8383 9.8383 10.7090 10.7090 11.0238 11.0238 11.6406 11.6406 12.1925 12.1925 12.8682 12.8682 13.4263 13.4263 13.8311 13.8311 15.1536 15.1536 16.0361 16.0361 18.9700 18.9700 21.6198 21.6198 k = 0.0926 0.0871 0.7296 ( 1520 PWs) bands (ev): 5.3791 5.3791 7.1334 7.1334 8.8741 8.8741 9.4881 9.4881 9.8091 9.8091 10.7032 10.7032 11.0854 11.0854 11.6406 11.6406 12.1907 12.1907 12.7928 12.7928 13.3902 13.3902 13.7981 13.7981 15.2255 15.2255 16.0355 16.0355 19.0598 19.0598 21.6645 21.6645 k = 0.1019 0.0959 0.7296 ( 1520 PWs) bands (ev): 5.3831 5.3831 7.1695 7.1695 8.8435 8.8435 9.4848 9.4848 9.7869 9.7869 10.6950 10.6950 11.1482 11.1482 11.6406 11.6406 12.1852 12.1852 12.7212 12.7212 13.3554 13.3554 13.7635 13.7635 15.2930 15.2930 16.0349 16.0349 19.1583 19.1583 21.7128 21.7128 k = 0.1111 0.1046 0.7296 ( 1516 PWs) bands (ev): 5.3872 5.3872 7.2085 7.2085 8.8101 8.8101 9.4767 9.4767 9.7730 9.7730 10.6842 10.6842 11.2114 11.2114 11.6409 11.6409 12.1742 12.1742 12.6570 12.6570 13.3210 13.3210 13.7277 13.7277 15.3558 15.3558 16.0342 16.0342 19.2650 19.2650 21.7643 21.7643 k = 0.1204 0.1133 0.7296 ( 1516 PWs) bands (ev): 5.3915 5.3915 7.2505 7.2505 8.7740 8.7740 9.4633 9.4633 9.7680 9.7680 10.6709 10.6709 11.2743 11.2743 11.6414 11.6414 12.1557 12.1557 12.6035 12.6035 13.2866 13.2866 13.6907 13.6907 15.4139 15.4139 16.0335 16.0335 19.3796 19.3796 21.8185 21.8185 k = 0.1296 0.1220 0.7296 ( 1518 PWs) bands (ev): 5.3958 5.3958 7.2952 7.2952 8.7352 8.7352 9.4455 9.4455 9.7712 9.7712 10.6550 10.6550 11.3364 11.3364 11.6426 11.6426 12.1285 12.1285 12.5631 12.5631 13.2519 13.2519 13.6530 13.6530 15.4673 15.4673 16.0326 16.0326 19.5016 19.5016 21.8749 21.8749 k = 0.1389 0.1307 0.7296 ( 1518 PWs) bands (ev): 5.4001 5.4001 7.3424 7.3424 8.6939 8.6939 9.4245 9.4245 9.7817 9.7817 10.6361 10.6361 11.3966 11.3966 11.6449 11.6449 12.0930 12.0930 12.5362 12.5362 13.2169 13.2169 13.6148 13.6148 15.5159 15.5159 16.0317 16.0317 19.6306 19.6306 21.9329 21.9329 k = 0.1481 0.1394 0.7296 ( 1518 PWs) bands (ev): 5.4044 5.4044 7.3920 7.3920 8.6501 8.6501 9.4018 9.4018 9.7979 9.7979 10.6144 10.6144 11.4538 11.4538 11.6494 11.6494 12.0513 12.0513 12.5213 12.5213 13.1815 13.1815 13.5766 13.5766 15.5600 15.5600 16.0306 16.0306 19.7660 19.7660 21.9917 21.9917 k = 0.1574 0.1481 0.7296 ( 1514 PWs) bands (ev): 5.4085 5.4085 7.4439 7.4439 8.6039 8.6039 9.3787 9.3787 9.8188 9.8188 10.5895 10.5895 11.5053 11.5053 11.6580 11.6580 12.0065 12.0065 12.5158 12.5158 13.1457 13.1457 13.5389 13.5389 15.5996 15.5996 16.0295 16.0295 19.9075 19.9075 22.0502 22.0502 k = 0.1667 0.1569 0.7296 ( 1514 PWs) bands (ev): 5.4124 5.4124 7.4978 7.4978 8.5555 8.5555 9.3561 9.3561 9.8435 9.8435 10.5617 10.5617 11.5469 11.5469 11.6747 11.6747 11.9616 11.9616 12.5171 12.5171 13.1099 13.1099 13.5021 13.5021 15.6350 15.6350 16.0283 16.0283 20.0545 20.0545 22.1069 22.1069 k = 0.1759 0.1656 0.7296 ( 1512 PWs) bands (ev): 5.4161 5.4161 7.5535 7.5535 8.5049 8.5049 9.3347 9.3347 9.8712 9.8712 10.5310 10.5310 11.5746 11.5746 11.7028 11.7028 11.9189 11.9189 12.5229 12.5229 13.0742 13.0742 13.4667 13.4667 15.6662 15.6662 16.0271 16.0271 20.2065 20.2065 22.1594 22.1594 k = 0.1852 0.1743 0.7296 ( 1516 PWs) bands (ev): 5.4195 5.4195 7.6108 7.6108 8.4523 8.4523 9.3150 9.3150 9.9014 9.9014 10.4977 10.4977 11.5898 11.5898 11.7399 11.7399 11.8803 11.8803 12.5316 12.5316 13.0393 13.0393 13.4333 13.4333 15.6935 15.6935 16.0258 16.0258 20.3631 20.3631 22.2033 22.2033 k = 0.1944 0.1830 0.7296 ( 1512 PWs) bands (ev): 5.4226 5.4226 7.6694 7.6694 8.3979 8.3979 9.2974 9.2974 9.9336 9.9336 10.4623 10.4623 11.5980 11.5980 11.7779 11.7779 11.8485 11.8485 12.5420 12.5420 13.0057 13.0057 13.4025 13.4025 15.7169 15.7169 16.0246 16.0246 20.5236 20.5236 22.2296 22.2296 k = 0.2037 0.1917 0.7296 ( 1508 PWs) bands (ev): 5.4252 5.4252 7.7290 7.7290 8.3420 8.3420 9.2822 9.2822 9.9674 9.9674 10.4253 10.4253 11.6028 11.6028 11.7961 11.7961 11.8404 11.8404 12.5529 12.5529 12.9742 12.9742 13.3749 13.3749 15.7365 15.7365 16.0234 16.0234 20.6877 20.6877 22.2203 22.2203 k = 0.2130 0.2004 0.7296 ( 1508 PWs) bands (ev): 5.4275 5.4275 7.7892 7.7892 8.2849 8.2849 9.2694 9.2694 10.0018 10.0018 10.3878 10.3878 11.6059 11.6059 11.7804 11.7804 11.8676 11.8676 12.5635 12.5635 12.9458 12.9458 13.3511 13.3511 15.7525 15.7525 16.0224 16.0224 20.8548 20.8548 22.1538 22.1538 k = 0.2222 0.2091 0.7296 ( 1512 PWs) bands (ev): 5.4292 5.4292 7.8496 7.8496 8.2270 8.2270 9.2594 9.2594 10.0358 10.0358 10.3510 10.3510 11.6082 11.6082 11.7624 11.7624 11.8965 11.8965 12.5729 12.5729 12.9216 12.9216 13.3318 13.3318 15.7649 15.7649 16.0215 16.0215 21.0243 21.0243 22.0330 22.0330 k = 0.2315 0.2179 0.7296 ( 1518 PWs) bands (ev): 5.4304 5.4304 7.9089 7.9089 8.1695 8.1695 9.2522 9.2522 10.0671 10.0671 10.3175 10.3175 11.6098 11.6098 11.7487 11.7487 11.9192 11.9192 12.5804 12.5804 12.9030 12.9030 13.3175 13.3175 15.7736 15.7736 16.0209 16.0209 21.1954 21.1954 21.8821 21.8821 k = 0.2407 0.2266 0.7296 ( 1528 PWs) bands (ev): 5.4312 5.4312 7.9637 7.9637 8.1159 8.1159 9.2478 9.2478 10.0912 10.0912 10.2920 10.2920 11.6108 11.6108 11.7403 11.7403 11.9336 11.9336 12.5854 12.5854 12.8912 12.8912 13.3087 13.3087 15.7789 15.7789 16.0205 16.0205 21.3663 21.3663 21.7189 21.7189 k = 0.2500 0.2353 0.7296 ( 1528 PWs) bands (ev): 5.4314 5.4314 7.9925 7.9925 8.0875 8.0875 9.2464 9.2464 10.1005 10.1005 10.2822 10.2822 11.6111 11.6111 11.7374 11.7374 11.9385 11.9385 12.5872 12.5872 12.8870 12.8870 13.3056 13.3056 15.7805 15.7805 16.0206 16.0206 21.5083 21.5083 21.5789 21.5789 Writing output data file SiPt2.save init_run : 0.24s CPU 0.39s WALL ( 1 calls) electrons : 89.27s CPU 91.39s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 89.26s CPU 91.38s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 420 calls) cegterg : 82.10s CPU 83.86s WALL ( 655 calls) Called by sum_band: Called by *egterg: h_psi : 41.71s CPU 42.56s WALL ( 10725 calls) s_psi : 2.68s CPU 2.77s WALL ( 10725 calls) g_psi : 0.08s CPU 0.10s WALL ( 9650 calls) cdiaghg : 35.72s CPU 36.62s WALL ( 10070 calls) cegterg:over : 2.43s CPU 2.52s WALL ( 9650 calls) cegterg:upda : 1.52s CPU 1.68s WALL ( 9650 calls) cegterg:last : 0.99s CPU 0.98s WALL ( 1961 calls) cdiaghg:chol : 1.77s CPU 1.84s WALL ( 10070 calls) cdiaghg:inve : 0.87s CPU 0.81s WALL ( 10070 calls) cdiaghg:para : 2.32s CPU 2.18s WALL ( 20140 calls) Called by h_psi: h_psi:vloc : 35.75s CPU 36.39s WALL ( 10725 calls) h_psi:vnl : 5.89s CPU 6.12s WALL ( 10725 calls) add_vuspsi : 3.33s CPU 3.48s WALL ( 10725 calls) General routines calbec : 2.52s CPU 2.61s WALL ( 10725 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 32.59s CPU 33.18s WALL ( 785104 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.10s WALL ( 840 calls) Parallel routines fft_scatter : 16.26s CPU 16.67s WALL ( 785127 calls) PWSCF : 1m39.27s CPU 2m 4.38s WALL This run was terminated on: 21:11:30 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=