Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:34: 6 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: ./TaAl3.save/ 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 48 32 9 861 459 76 Max 49 33 10 864 476 78 Sum 1743 1163 345 31033 16799 2767 bravais-lattice index = 14 lattice parameter (alat) = 9.5634 a.u. unit-cell volume = 425.1757 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 22.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 265.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.563426 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.711946 celldm(5)= -0.711946 celldm(6)= 0.423891 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.423891 0.905713 0.000000 ) a(3) = ( -0.711946 -0.452857 0.536707 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.468019 0.931607 ) b(2) = ( 0.000000 1.104102 0.931607 ) b(3) = ( 0.000000 0.000000 1.863214 ) PseudoPot. # 1 for Ta read from file: /users/gautes/Pseudo/Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ce7a4fa75595c0f83f911fa846a48acf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1273 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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 Ta 13.00 180.94790 Ta( 1.00) Al 3.00 26.98150 Al( 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= 384 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 2) = ( 0.0000000 0.0000000 0.0160622), wk = 0.0026042 k( 3) = ( 0.0000000 0.0000000 0.0321244), wk = 0.0026042 k( 4) = ( 0.0000000 0.0000000 0.0481866), wk = 0.0026042 k( 5) = ( 0.0000000 0.0000000 0.0642488), wk = 0.0026042 k( 6) = ( 0.0000000 0.0000000 0.0803109), wk = 0.0026042 k( 7) = ( 0.0000000 0.0000000 0.0963731), wk = 0.0026042 k( 8) = ( 0.0000000 0.0000000 0.1124353), wk = 0.0026042 k( 9) = ( 0.0000000 0.0000000 0.1284975), wk = 0.0026042 k( 10) = ( 0.0000000 0.0000000 0.1445597), wk = 0.0026042 k( 11) = ( 0.0000000 0.0000000 0.1606219), wk = 0.0026042 k( 12) = ( 0.0000000 0.0000000 0.1766841), wk = 0.0026042 k( 13) = ( 0.0000000 0.0000000 0.1927463), wk = 0.0026042 k( 14) = ( 0.0000000 0.0000000 0.2088085), wk = 0.0026042 k( 15) = ( 0.0000000 0.0000000 0.2248707), wk = 0.0026042 k( 16) = ( 0.0000000 0.0000000 0.2409328), wk = 0.0026042 k( 17) = ( 0.0000000 0.0000000 0.2569950), wk = 0.0026042 k( 18) = ( 0.0000000 0.0000000 0.2730572), wk = 0.0026042 k( 19) = ( 0.0000000 0.0000000 0.2891194), wk = 0.0026042 k( 20) = ( 0.0000000 0.0000000 0.3051816), wk = 0.0026042 k( 21) = ( 0.0000000 0.0000000 0.3212438), wk = 0.0026042 k( 22) = ( 0.0000000 0.0000000 0.3373060), wk = 0.0026042 k( 23) = ( 0.0000000 0.0000000 0.3533682), wk = 0.0026042 k( 24) = ( 0.0000000 0.0000000 0.3694303), wk = 0.0026042 k( 25) = ( 0.0000000 0.0000000 0.3854925), wk = 0.0026042 k( 26) = ( 0.0000000 0.0000000 0.4015547), wk = 0.0026042 k( 27) = ( 0.0000000 0.0000000 0.4176169), wk = 0.0026042 k( 28) = ( 0.0000000 0.0000000 0.4336791), wk = 0.0026042 k( 29) = ( 0.0000000 0.0000000 0.4497413), wk = 0.0026042 k( 30) = ( 0.0000000 0.0000000 0.4658035), wk = 0.0026042 k( 31) = ( 0.0000000 0.0000000 0.4818657), wk = 0.0026042 k( 32) = ( 0.0000000 0.0000000 0.4979279), wk = 0.0026042 k( 33) = ( 0.0000000 0.0000000 0.5139901), wk = 0.0026042 k( 34) = ( 0.0000000 0.0000000 0.5300522), wk = 0.0026042 k( 35) = ( 0.0000000 0.0000000 0.5461144), wk = 0.0026042 k( 36) = ( 0.0000000 0.0000000 0.5621766), wk = 0.0026042 k( 37) = ( 0.0000000 0.0000000 0.5782388), wk = 0.0026042 k( 38) = ( 0.0000000 0.0000000 0.5943010), wk = 0.0026042 k( 39) = ( 0.0000000 0.0000000 0.6103632), wk = 0.0026042 k( 40) = ( 0.0000000 0.0000000 0.6264254), wk = 0.0026042 k( 41) = ( 0.0000000 0.0000000 0.6424876), wk = 0.0026042 k( 42) = ( 0.0000000 0.0000000 0.6585498), wk = 0.0026042 k( 43) = ( 0.0000000 0.0000000 0.6746120), wk = 0.0026042 k( 44) = ( 0.0000000 0.0000000 0.6906741), wk = 0.0026042 k( 45) = ( 0.0000000 0.0000000 0.7067363), wk = 0.0026042 k( 46) = ( 0.0000000 0.0000000 0.7227985), wk = 0.0026042 k( 47) = ( 0.0000000 0.0000000 0.7388607), wk = 0.0026042 k( 48) = ( 0.0000000 0.0000000 0.7549229), wk = 0.0026042 k( 49) = ( 0.0000000 0.0000000 0.7709851), wk = 0.0026042 k( 50) = ( 0.0000000 0.0000000 0.7870473), wk = 0.0026042 k( 51) = ( 0.0000000 0.0000000 0.8031095), wk = 0.0026042 k( 52) = ( 0.0000000 0.0000000 0.8191716), wk = 0.0026042 k( 53) = ( 0.0000000 0.0000000 0.8352338), wk = 0.0026042 k( 54) = ( 0.0000000 0.0000000 0.8512960), wk = 0.0026042 k( 55) = ( 0.0000000 0.0000000 0.8673582), wk = 0.0026042 k( 56) = ( 0.0000000 0.0000000 0.8834204), wk = 0.0026042 k( 57) = ( 0.0000000 0.0000000 0.8994826), wk = 0.0026042 k( 58) = ( 0.0000000 0.0000000 0.9155448), wk = 0.0026042 k( 59) = ( 0.0000000 0.0000000 0.9316070), wk = 0.0026042 k( 60) = ( 0.0000000 0.0000000 0.9316070), wk = 0.0026042 k( 61) = ( -0.0084292 0.0132517 0.9316070), wk = 0.0026042 k( 62) = ( -0.0168584 0.0265035 0.9316070), wk = 0.0026042 k( 63) = ( -0.0252876 0.0397552 0.9316070), wk = 0.0026042 k( 64) = ( -0.0337168 0.0530069 0.9316070), wk = 0.0026042 k( 65) = ( -0.0421460 0.0662587 0.9316070), wk = 0.0026042 k( 66) = ( -0.0505752 0.0795104 0.9316070), wk = 0.0026042 k( 67) = ( -0.0590044 0.0927621 0.9316070), wk = 0.0026042 k( 68) = ( -0.0674336 0.1060138 0.9316070), wk = 0.0026042 k( 69) = ( -0.0758628 0.1192656 0.9316070), wk = 0.0026042 k( 70) = ( -0.0842920 0.1325173 0.9316070), wk = 0.0026042 k( 71) = ( -0.0927212 0.1457690 0.9316070), wk = 0.0026042 k( 72) = ( -0.1011504 0.1590208 0.9316070), wk = 0.0026042 k( 73) = ( -0.1011504 0.1590208 0.9316070), wk = 0.0026042 k( 74) = ( -0.1071936 0.1685214 0.9203472), wk = 0.0026042 k( 75) = ( -0.1132368 0.1780220 0.9090875), wk = 0.0026042 k( 76) = ( -0.1192800 0.1875226 0.8978278), wk = 0.0026042 k( 77) = ( -0.1253231 0.1970232 0.8865681), wk = 0.0026042 k( 78) = ( -0.1313663 0.2065238 0.8753083), wk = 0.0026042 k( 79) = ( -0.1374095 0.2160244 0.8640486), wk = 0.0026042 k( 80) = ( -0.1434527 0.2255250 0.8527889), wk = 0.0026042 k( 81) = ( -0.1494958 0.2350256 0.8415291), wk = 0.0026042 k( 82) = ( -0.1555390 0.2445262 0.8302694), wk = 0.0026042 k( 83) = ( -0.1615822 0.2540268 0.8190097), wk = 0.0026042 k( 84) = ( -0.1676254 0.2635274 0.8077500), wk = 0.0026042 k( 85) = ( -0.1736685 0.2730281 0.7964902), wk = 0.0026042 k( 86) = ( -0.1797117 0.2825287 0.7852305), wk = 0.0026042 k( 87) = ( -0.1857549 0.2920293 0.7739708), wk = 0.0026042 k( 88) = ( -0.1917981 0.3015299 0.7627110), wk = 0.0026042 k( 89) = ( -0.1978412 0.3110305 0.7514513), wk = 0.0026042 k( 90) = ( -0.2038844 0.3205311 0.7401916), wk = 0.0026042 k( 91) = ( -0.2099276 0.3300317 0.7289319), wk = 0.0026042 k( 92) = ( -0.2159708 0.3395323 0.7176721), wk = 0.0026042 k( 93) = ( -0.2220139 0.3490329 0.7064124), wk = 0.0026042 k( 94) = ( -0.2280571 0.3585335 0.6951527), wk = 0.0026042 k( 95) = ( -0.2341003 0.3680341 0.6838930), wk = 0.0026042 k( 96) = ( -0.2401435 0.3775347 0.6726332), wk = 0.0026042 k( 97) = ( -0.2461866 0.3870353 0.6613735), wk = 0.0026042 k( 98) = ( -0.2522298 0.3965359 0.6501138), wk = 0.0026042 k( 99) = ( -0.2582730 0.4060365 0.6388540), wk = 0.0026042 k( 100) = ( -0.2643162 0.4155371 0.6275943), wk = 0.0026042 k( 101) = ( -0.2703593 0.4250377 0.6163346), wk = 0.0026042 k( 102) = ( -0.2764025 0.4345384 0.6050749), wk = 0.0026042 k( 103) = ( -0.2824457 0.4440390 0.5938151), wk = 0.0026042 k( 104) = ( -0.2884889 0.4535396 0.5825554), wk = 0.0026042 k( 105) = ( -0.2945320 0.4630402 0.5712957), wk = 0.0026042 k( 106) = ( -0.3005752 0.4725408 0.5600359), wk = 0.0026042 k( 107) = ( -0.3005752 0.4725408 0.5600359), wk = 0.0026042 k( 108) = ( -0.2945637 0.4630900 0.5488352), wk = 0.0026042 k( 109) = ( -0.2885522 0.4536392 0.5376345), wk = 0.0026042 k( 110) = ( -0.2825407 0.4441883 0.5264338), wk = 0.0026042 k( 111) = ( -0.2765292 0.4347375 0.5152331), wk = 0.0026042 k( 112) = ( -0.2705177 0.4252867 0.5040324), wk = 0.0026042 k( 113) = ( -0.2645062 0.4158359 0.4928316), wk = 0.0026042 k( 114) = ( -0.2584947 0.4063851 0.4816309), wk = 0.0026042 k( 115) = ( -0.2524832 0.3969343 0.4704302), wk = 0.0026042 k( 116) = ( -0.2464717 0.3874834 0.4592295), wk = 0.0026042 k( 117) = ( -0.2404602 0.3780326 0.4480287), wk = 0.0026042 k( 118) = ( -0.2344487 0.3685818 0.4368280), wk = 0.0026042 k( 119) = ( -0.2284372 0.3591310 0.4256273), wk = 0.0026042 k( 120) = ( -0.2224257 0.3496802 0.4144266), wk = 0.0026042 k( 121) = ( -0.2164142 0.3402294 0.4032259), wk = 0.0026042 k( 122) = ( -0.2104026 0.3307785 0.3920252), wk = 0.0026042 k( 123) = ( -0.2043911 0.3213277 0.3808244), wk = 0.0026042 k( 124) = ( -0.1983796 0.3118769 0.3696237), wk = 0.0026042 k( 125) = ( -0.1923681 0.3024261 0.3584230), wk = 0.0026042 k( 126) = ( -0.1863566 0.2929753 0.3472223), wk = 0.0026042 k( 127) = ( -0.1803451 0.2835245 0.3360216), wk = 0.0026042 k( 128) = ( -0.1743336 0.2740737 0.3248209), wk = 0.0026042 k( 129) = ( -0.1683221 0.2646228 0.3136201), wk = 0.0026042 k( 130) = ( -0.1623106 0.2551720 0.3024194), wk = 0.0026042 k( 131) = ( -0.1562991 0.2457212 0.2912187), wk = 0.0026042 k( 132) = ( -0.1502876 0.2362704 0.2800180), wk = 0.0026042 k( 133) = ( -0.1442761 0.2268196 0.2688172), wk = 0.0026042 k( 134) = ( -0.1382646 0.2173688 0.2576165), wk = 0.0026042 k( 135) = ( -0.1322531 0.2079179 0.2464158), wk = 0.0026042 k( 136) = ( -0.1262416 0.1984671 0.2352151), wk = 0.0026042 k( 137) = ( -0.1202301 0.1890163 0.2240144), wk = 0.0026042 k( 138) = ( -0.1142186 0.1795655 0.2128137), wk = 0.0026042 k( 139) = ( -0.1082071 0.1701147 0.2016129), wk = 0.0026042 k( 140) = ( -0.1021956 0.1606639 0.1904122), wk = 0.0026042 k( 141) = ( -0.0961841 0.1512131 0.1792115), wk = 0.0026042 k( 142) = ( -0.0901726 0.1417622 0.1680108), wk = 0.0026042 k( 143) = ( -0.0841611 0.1323114 0.1568101), wk = 0.0026042 k( 144) = ( -0.0781496 0.1228606 0.1456093), wk = 0.0026042 k( 145) = ( -0.0721380 0.1134098 0.1344086), wk = 0.0026042 k( 146) = ( -0.0661266 0.1039590 0.1232079), wk = 0.0026042 k( 147) = ( -0.0601150 0.0945082 0.1120072), wk = 0.0026042 k( 148) = ( -0.0541035 0.0850573 0.1008065), wk = 0.0026042 k( 149) = ( -0.0480920 0.0756065 0.0896057), wk = 0.0026042 k( 150) = ( -0.0420805 0.0661557 0.0784050), wk = 0.0026042 k( 151) = ( -0.0360690 0.0567049 0.0672043), wk = 0.0026042 k( 152) = ( -0.0300575 0.0472541 0.0560036), wk = 0.0026042 k( 153) = ( -0.0240460 0.0378033 0.0448029), wk = 0.0026042 k( 154) = ( -0.0180345 0.0283524 0.0336022), wk = 0.0026042 k( 155) = ( -0.0120230 0.0189016 0.0224014), wk = 0.0026042 k( 156) = ( -0.0060115 0.0094508 0.0112007), wk = 0.0026042 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 159) = ( 0.0135135 0.0085957 0.0000000), wk = 0.0026042 k( 160) = ( 0.0270270 0.0171914 0.0000000), wk = 0.0026042 k( 161) = ( 0.0405405 0.0257872 0.0000000), wk = 0.0026042 k( 162) = ( 0.0540540 0.0343829 0.0000000), wk = 0.0026042 k( 163) = ( 0.0675676 0.0429786 0.0000000), wk = 0.0026042 k( 164) = ( 0.0810811 0.0515743 0.0000000), wk = 0.0026042 k( 165) = ( 0.0945946 0.0601700 0.0000000), wk = 0.0026042 k( 166) = ( 0.1081081 0.0687657 0.0000000), wk = 0.0026042 k( 167) = ( 0.1216216 0.0773615 0.0000000), wk = 0.0026042 k( 168) = ( 0.1351351 0.0859572 0.0000000), wk = 0.0026042 k( 169) = ( 0.1486486 0.0945529 0.0000000), wk = 0.0026042 k( 170) = ( 0.1621622 0.1031486 0.0000000), wk = 0.0026042 k( 171) = ( 0.1756757 0.1117443 0.0000000), wk = 0.0026042 k( 172) = ( 0.1891892 0.1203401 0.0000000), wk = 0.0026042 k( 173) = ( 0.2027027 0.1289358 0.0000000), wk = 0.0026042 k( 174) = ( 0.2162162 0.1375315 0.0000000), wk = 0.0026042 k( 175) = ( 0.2297297 0.1461272 0.0000000), wk = 0.0026042 k( 176) = ( 0.2432432 0.1547229 0.0000000), wk = 0.0026042 k( 177) = ( 0.2567568 0.1633186 0.0000000), wk = 0.0026042 k( 178) = ( 0.2702703 0.1719144 0.0000000), wk = 0.0026042 k( 179) = ( 0.2837838 0.1805101 0.0000000), wk = 0.0026042 k( 180) = ( 0.2972973 0.1891058 0.0000000), wk = 0.0026042 k( 181) = ( 0.3108108 0.1977015 0.0000000), wk = 0.0026042 k( 182) = ( 0.3243243 0.2062972 0.0000000), wk = 0.0026042 k( 183) = ( 0.3378378 0.2148930 0.0000000), wk = 0.0026042 k( 184) = ( 0.3513514 0.2234887 0.0000000), wk = 0.0026042 k( 185) = ( 0.3648649 0.2320844 0.0000000), wk = 0.0026042 k( 186) = ( 0.3783784 0.2406801 0.0000000), wk = 0.0026042 k( 187) = ( 0.3918919 0.2492758 0.0000000), wk = 0.0026042 k( 188) = ( 0.4054054 0.2578715 0.0000000), wk = 0.0026042 k( 189) = ( 0.4189189 0.2664673 0.0000000), wk = 0.0026042 k( 190) = ( 0.4324324 0.2750630 0.0000000), wk = 0.0026042 k( 191) = ( 0.4459459 0.2836587 0.0000000), wk = 0.0026042 k( 192) = ( 0.4594595 0.2922544 0.0000000), wk = 0.0026042 k( 193) = ( 0.4729730 0.3008501 0.0000000), wk = 0.0026042 k( 194) = ( 0.4864865 0.3094458 0.0000000), wk = 0.0026042 k( 195) = ( 0.5000000 0.3180416 0.0000000), wk = 0.0026042 k( 196) = ( 0.5000000 0.3180416 0.0000000), wk = 0.0026042 k( 197) = ( 0.4939568 0.3275422 0.0112597), wk = 0.0026042 k( 198) = ( 0.4879136 0.3370428 0.0225195), wk = 0.0026042 k( 199) = ( 0.4818705 0.3465434 0.0337792), wk = 0.0026042 k( 200) = ( 0.4758273 0.3560440 0.0450389), wk = 0.0026042 k( 201) = ( 0.4697841 0.3655446 0.0562986), wk = 0.0026042 k( 202) = ( 0.4637409 0.3750452 0.0675584), wk = 0.0026042 k( 203) = ( 0.4576978 0.3845458 0.0788181), wk = 0.0026042 k( 204) = ( 0.4516546 0.3940464 0.0900778), wk = 0.0026042 k( 205) = ( 0.4456114 0.4035470 0.1013376), wk = 0.0026042 k( 206) = ( 0.4395682 0.4130476 0.1125973), wk = 0.0026042 k( 207) = ( 0.4335251 0.4225482 0.1238570), wk = 0.0026042 k( 208) = ( 0.4274819 0.4320488 0.1351167), wk = 0.0026042 k( 209) = ( 0.4214387 0.4415494 0.1463765), wk = 0.0026042 k( 210) = ( 0.4153956 0.4510500 0.1576362), wk = 0.0026042 k( 211) = ( 0.4093524 0.4605507 0.1688959), wk = 0.0026042 k( 212) = ( 0.4033092 0.4700513 0.1801556), wk = 0.0026042 k( 213) = ( 0.3972660 0.4795519 0.1914154), wk = 0.0026042 k( 214) = ( 0.3912229 0.4890525 0.2026751), wk = 0.0026042 k( 215) = ( 0.3851797 0.4985531 0.2139348), wk = 0.0026042 k( 216) = ( 0.3791365 0.5080537 0.2251946), wk = 0.0026042 k( 217) = ( 0.3730933 0.5175543 0.2364543), wk = 0.0026042 k( 218) = ( 0.3670502 0.5270549 0.2477140), wk = 0.0026042 k( 219) = ( 0.3610070 0.5365555 0.2589738), wk = 0.0026042 k( 220) = ( 0.3549638 0.5460561 0.2702335), wk = 0.0026042 k( 221) = ( 0.3489206 0.5555567 0.2814932), wk = 0.0026042 k( 222) = ( 0.3428774 0.5650573 0.2927529), wk = 0.0026042 k( 223) = ( 0.3368343 0.5745579 0.3040127), wk = 0.0026042 k( 224) = ( 0.3307911 0.5840585 0.3152724), wk = 0.0026042 k( 225) = ( 0.3247479 0.5935591 0.3265321), wk = 0.0026042 k( 226) = ( 0.3187047 0.6030598 0.3377919), wk = 0.0026042 k( 227) = ( 0.3126616 0.6125603 0.3490516), wk = 0.0026042 k( 228) = ( 0.3066184 0.6220610 0.3603113), wk = 0.0026042 k( 229) = ( 0.3005752 0.6315616 0.3715710), wk = 0.0026042 k( 230) = ( 0.3005752 0.6315616 0.3715710), wk = 0.0026042 k( 231) = ( 0.2862621 0.6277754 0.3760583), wk = 0.0026042 k( 232) = ( 0.2719490 0.6239891 0.3805456), wk = 0.0026042 k( 233) = ( 0.2576359 0.6202029 0.3850328), wk = 0.0026042 k( 234) = ( 0.2433228 0.6164167 0.3895201), wk = 0.0026042 k( 235) = ( 0.2290097 0.6126305 0.3940073), wk = 0.0026042 k( 236) = ( 0.2146966 0.6088443 0.3984946), wk = 0.0026042 k( 237) = ( 0.2003835 0.6050581 0.4029818), wk = 0.0026042 k( 238) = ( 0.1860704 0.6012719 0.4074691), wk = 0.0026042 k( 239) = ( 0.1717573 0.5974857 0.4119564), wk = 0.0026042 k( 240) = ( 0.1574442 0.5936995 0.4164436), wk = 0.0026042 k( 241) = ( 0.1431311 0.5899133 0.4209309), wk = 0.0026042 k( 242) = ( 0.1288179 0.5861271 0.4254181), wk = 0.0026042 k( 243) = ( 0.1145049 0.5823408 0.4299054), wk = 0.0026042 k( 244) = ( 0.1001917 0.5785546 0.4343927), wk = 0.0026042 k( 245) = ( 0.0858786 0.5747684 0.4388799), wk = 0.0026042 k( 246) = ( 0.0715655 0.5709822 0.4433672), wk = 0.0026042 k( 247) = ( 0.0572524 0.5671960 0.4478544), wk = 0.0026042 k( 248) = ( 0.0429393 0.5634098 0.4523417), wk = 0.0026042 k( 249) = ( 0.0286262 0.5596236 0.4568290), wk = 0.0026042 k( 250) = ( 0.0143131 0.5558374 0.4613162), wk = 0.0026042 k( 251) = ( 0.0000000 0.5520512 0.4658035), wk = 0.0026042 k( 252) = ( 0.0000000 0.5520512 0.4658035), wk = 0.0026042 k( 253) = ( 0.0060976 0.5424651 0.4771645), wk = 0.0026042 k( 254) = ( 0.0121951 0.5328790 0.4885256), wk = 0.0026042 k( 255) = ( 0.0182927 0.5232929 0.4998867), wk = 0.0026042 k( 256) = ( 0.0243902 0.5137067 0.5112477), wk = 0.0026042 k( 257) = ( 0.0304878 0.5041206 0.5226088), wk = 0.0026042 k( 258) = ( 0.0365854 0.4945345 0.5339699), wk = 0.0026042 k( 259) = ( 0.0426829 0.4849484 0.5453309), wk = 0.0026042 k( 260) = ( 0.0487805 0.4753623 0.5566920), wk = 0.0026042 k( 261) = ( 0.0548780 0.4657762 0.5680530), wk = 0.0026042 k( 262) = ( 0.0609756 0.4561901 0.5794141), wk = 0.0026042 k( 263) = ( 0.0670732 0.4466040 0.5907752), wk = 0.0026042 k( 264) = ( 0.0731707 0.4370179 0.6021362), wk = 0.0026042 k( 265) = ( 0.0792683 0.4274318 0.6134973), wk = 0.0026042 k( 266) = ( 0.0853658 0.4178457 0.6248583), wk = 0.0026042 k( 267) = ( 0.0914634 0.4082596 0.6362194), wk = 0.0026042 k( 268) = ( 0.0975610 0.3986735 0.6475805), wk = 0.0026042 k( 269) = ( 0.1036585 0.3890873 0.6589415), wk = 0.0026042 k( 270) = ( 0.1097561 0.3795012 0.6703026), wk = 0.0026042 k( 271) = ( 0.1158537 0.3699151 0.6816636), wk = 0.0026042 k( 272) = ( 0.1219512 0.3603290 0.6930247), wk = 0.0026042 k( 273) = ( 0.1280488 0.3507429 0.7043858), wk = 0.0026042 k( 274) = ( 0.1341463 0.3411568 0.7157468), wk = 0.0026042 k( 275) = ( 0.1402439 0.3315707 0.7271079), wk = 0.0026042 k( 276) = ( 0.1463415 0.3219846 0.7384689), wk = 0.0026042 k( 277) = ( 0.1524390 0.3123985 0.7498300), wk = 0.0026042 k( 278) = ( 0.1585366 0.3028124 0.7611911), wk = 0.0026042 k( 279) = ( 0.1646342 0.2932263 0.7725521), wk = 0.0026042 k( 280) = ( 0.1707317 0.2836402 0.7839132), wk = 0.0026042 k( 281) = ( 0.1768293 0.2740541 0.7952742), wk = 0.0026042 k( 282) = ( 0.1829268 0.2644680 0.8066353), wk = 0.0026042 k( 283) = ( 0.1890244 0.2548819 0.8179964), wk = 0.0026042 k( 284) = ( 0.1951219 0.2452957 0.8293574), wk = 0.0026042 k( 285) = ( 0.2012195 0.2357096 0.8407185), wk = 0.0026042 k( 286) = ( 0.2073171 0.2261235 0.8520795), wk = 0.0026042 k( 287) = ( 0.2134146 0.2165374 0.8634406), wk = 0.0026042 k( 288) = ( 0.2195122 0.2069513 0.8748017), wk = 0.0026042 k( 289) = ( 0.2256098 0.1973652 0.8861627), wk = 0.0026042 k( 290) = ( 0.2317073 0.1877791 0.8975238), wk = 0.0026042 k( 291) = ( 0.2378049 0.1781930 0.9088849), wk = 0.0026042 k( 292) = ( 0.2439024 0.1686069 0.9202459), wk = 0.0026042 k( 293) = ( 0.2500000 0.1590208 0.9316070), wk = 0.0026042 k( 294) = ( 0.2500000 0.1590208 0.9316070), wk = 0.0026042 k( 295) = ( 0.2613636 0.1662490 0.9230404), wk = 0.0026042 k( 296) = ( 0.2727273 0.1734772 0.9144738), wk = 0.0026042 k( 297) = ( 0.2840909 0.1807054 0.9059072), wk = 0.0026042 k( 298) = ( 0.2954545 0.1879337 0.8973406), wk = 0.0026042 k( 299) = ( 0.3068182 0.1951619 0.8887740), wk = 0.0026042 k( 300) = ( 0.3181818 0.2023901 0.8802075), wk = 0.0026042 k( 301) = ( 0.3295455 0.2096183 0.8716409), wk = 0.0026042 k( 302) = ( 0.3409091 0.2168465 0.8630743), wk = 0.0026042 k( 303) = ( 0.3522727 0.2240747 0.8545077), wk = 0.0026042 k( 304) = ( 0.3636364 0.2313030 0.8459411), wk = 0.0026042 k( 305) = ( 0.3750000 0.2385312 0.8373745), wk = 0.0026042 k( 306) = ( 0.3863636 0.2457594 0.8288079), wk = 0.0026042 k( 307) = ( 0.3977273 0.2529876 0.8202413), wk = 0.0026042 k( 308) = ( 0.4090909 0.2602158 0.8116748), wk = 0.0026042 k( 309) = ( 0.4204545 0.2674440 0.8031082), wk = 0.0026042 k( 310) = ( 0.4318182 0.2746723 0.7945416), wk = 0.0026042 k( 311) = ( 0.4431818 0.2819005 0.7859750), wk = 0.0026042 k( 312) = ( 0.4545455 0.2891287 0.7774084), wk = 0.0026042 k( 313) = ( 0.4659091 0.2963569 0.7688418), wk = 0.0026042 k( 314) = ( 0.4772727 0.3035851 0.7602752), wk = 0.0026042 k( 315) = ( 0.4886364 0.3108133 0.7517087), wk = 0.0026042 k( 316) = ( 0.5000000 0.3180416 0.7431421), wk = 0.0026042 k( 317) = ( 0.5000000 0.3180416 0.7431421), wk = 0.0026042 k( 318) = ( 0.5000000 0.3180416 0.7273305), wk = 0.0026042 k( 319) = ( 0.5000000 0.3180416 0.7115190), wk = 0.0026042 k( 320) = ( 0.5000000 0.3180416 0.6957075), wk = 0.0026042 k( 321) = ( 0.5000000 0.3180416 0.6798959), wk = 0.0026042 k( 322) = ( 0.5000000 0.3180416 0.6640844), wk = 0.0026042 k( 323) = ( 0.5000000 0.3180416 0.6482729), wk = 0.0026042 k( 324) = ( 0.5000000 0.3180416 0.6324613), wk = 0.0026042 k( 325) = ( 0.5000000 0.3180416 0.6166498), wk = 0.0026042 k( 326) = ( 0.5000000 0.3180416 0.6008383), wk = 0.0026042 k( 327) = ( 0.5000000 0.3180416 0.5850267), wk = 0.0026042 k( 328) = ( 0.5000000 0.3180416 0.5692152), wk = 0.0026042 k( 329) = ( 0.5000000 0.3180416 0.5534037), wk = 0.0026042 k( 330) = ( 0.5000000 0.3180416 0.5375921), wk = 0.0026042 k( 331) = ( 0.5000000 0.3180416 0.5217806), wk = 0.0026042 k( 332) = ( 0.5000000 0.3180416 0.5059691), wk = 0.0026042 k( 333) = ( 0.5000000 0.3180416 0.4901575), wk = 0.0026042 k( 334) = ( 0.5000000 0.3180416 0.4743460), wk = 0.0026042 k( 335) = ( 0.5000000 0.3180416 0.4585345), wk = 0.0026042 k( 336) = ( 0.5000000 0.3180416 0.4427229), wk = 0.0026042 k( 337) = ( 0.5000000 0.3180416 0.4269114), wk = 0.0026042 k( 338) = ( 0.5000000 0.3180416 0.4110999), wk = 0.0026042 k( 339) = ( 0.5000000 0.3180416 0.3952883), wk = 0.0026042 k( 340) = ( 0.5000000 0.3180416 0.3794768), wk = 0.0026042 k( 341) = ( 0.5000000 0.3180416 0.3636653), wk = 0.0026042 k( 342) = ( 0.5000000 0.3180416 0.3478537), wk = 0.0026042 k( 343) = ( 0.5000000 0.3180416 0.3320422), wk = 0.0026042 k( 344) = ( 0.5000000 0.3180416 0.3162307), wk = 0.0026042 k( 345) = ( 0.5000000 0.3180416 0.3004191), wk = 0.0026042 k( 346) = ( 0.5000000 0.3180416 0.2846076), wk = 0.0026042 k( 347) = ( 0.5000000 0.3180416 0.2687961), wk = 0.0026042 k( 348) = ( 0.5000000 0.3180416 0.2529845), wk = 0.0026042 k( 349) = ( 0.5000000 0.3180416 0.2371730), wk = 0.0026042 k( 350) = ( 0.5000000 0.3180416 0.2213615), wk = 0.0026042 k( 351) = ( 0.5000000 0.3180416 0.2055499), wk = 0.0026042 k( 352) = ( 0.5000000 0.3180416 0.1897384), wk = 0.0026042 k( 353) = ( 0.5000000 0.3180416 0.1739269), wk = 0.0026042 k( 354) = ( 0.5000000 0.3180416 0.1581153), wk = 0.0026042 k( 355) = ( 0.5000000 0.3180416 0.1423038), wk = 0.0026042 k( 356) = ( 0.5000000 0.3180416 0.1264923), wk = 0.0026042 k( 357) = ( 0.5000000 0.3180416 0.1106807), wk = 0.0026042 k( 358) = ( 0.5000000 0.3180416 0.0948692), wk = 0.0026042 k( 359) = ( 0.5000000 0.3180416 0.0790577), wk = 0.0026042 k( 360) = ( 0.5000000 0.3180416 0.0632461), wk = 0.0026042 k( 361) = ( 0.5000000 0.3180416 0.0474346), wk = 0.0026042 k( 362) = ( 0.5000000 0.3180416 0.0316231), wk = 0.0026042 k( 363) = ( 0.5000000 0.3180416 0.0158115), wk = 0.0026042 k( 364) = ( 0.5000000 0.3180416 0.0000000), wk = 0.0026042 k( 365) = ( 0.0000000 0.0000000 0.9316070), wk = 0.0026042 k( 366) = ( 0.0131579 0.0083695 0.9316070), wk = 0.0026042 k( 367) = ( 0.0263158 0.0167390 0.9316070), wk = 0.0026042 k( 368) = ( 0.0394737 0.0251085 0.9316070), wk = 0.0026042 k( 369) = ( 0.0526316 0.0334781 0.9316070), wk = 0.0026042 k( 370) = ( 0.0657895 0.0418476 0.9316070), wk = 0.0026042 k( 371) = ( 0.0789474 0.0502171 0.9316070), wk = 0.0026042 k( 372) = ( 0.0921053 0.0585866 0.9316070), wk = 0.0026042 k( 373) = ( 0.1052632 0.0669561 0.9316070), wk = 0.0026042 k( 374) = ( 0.1184210 0.0753256 0.9316070), wk = 0.0026042 k( 375) = ( 0.1315790 0.0836952 0.9316070), wk = 0.0026042 k( 376) = ( 0.1447368 0.0920647 0.9316070), wk = 0.0026042 k( 377) = ( 0.1578947 0.1004342 0.9316070), wk = 0.0026042 k( 378) = ( 0.1710526 0.1088037 0.9316070), wk = 0.0026042 k( 379) = ( 0.1842105 0.1171732 0.9316070), wk = 0.0026042 k( 380) = ( 0.1973684 0.1255427 0.9316070), wk = 0.0026042 k( 381) = ( 0.2105263 0.1339122 0.9316070), wk = 0.0026042 k( 382) = ( 0.2236842 0.1422818 0.9316070), wk = 0.0026042 k( 383) = ( 0.2368421 0.1506513 0.9316070), wk = 0.0026042 k( 384) = ( 0.2500000 0.1590208 0.9316070), wk = 0.0026042 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 2) = ( 0.0000000 0.0000000 0.0086207), wk = 0.0026042 k( 3) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0026042 k( 4) = ( 0.0000000 0.0000000 0.0258621), wk = 0.0026042 k( 5) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0026042 k( 6) = ( 0.0000000 0.0000000 0.0431035), wk = 0.0026042 k( 7) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0026042 k( 8) = ( 0.0000000 0.0000000 0.0603448), wk = 0.0026042 k( 9) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0026042 k( 10) = ( 0.0000000 0.0000000 0.0775862), wk = 0.0026042 k( 11) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0026042 k( 12) = ( 0.0000000 0.0000000 0.0948276), wk = 0.0026042 k( 13) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0026042 k( 14) = ( 0.0000000 0.0000000 0.1120690), wk = 0.0026042 k( 15) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0026042 k( 16) = ( 0.0000000 0.0000000 0.1293103), wk = 0.0026042 k( 17) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0026042 k( 18) = ( 0.0000000 0.0000000 0.1465517), wk = 0.0026042 k( 19) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0026042 k( 20) = ( 0.0000000 0.0000000 0.1637931), wk = 0.0026042 k( 21) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0026042 k( 22) = ( 0.0000000 0.0000000 0.1810345), wk = 0.0026042 k( 23) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0026042 k( 24) = ( 0.0000000 0.0000000 0.1982759), wk = 0.0026042 k( 25) = ( 0.0000000 0.0000000 0.2068966), wk = 0.0026042 k( 26) = ( 0.0000000 0.0000000 0.2155172), wk = 0.0026042 k( 27) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0026042 k( 28) = ( 0.0000000 0.0000000 0.2327586), wk = 0.0026042 k( 29) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0026042 k( 30) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0026042 k( 31) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0026042 k( 32) = ( 0.0000000 0.0000000 0.2672414), wk = 0.0026042 k( 33) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0026042 k( 34) = ( 0.0000000 0.0000000 0.2844828), wk = 0.0026042 k( 35) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0026042 k( 36) = ( 0.0000000 0.0000000 0.3017241), wk = 0.0026042 k( 37) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0026042 k( 38) = ( 0.0000000 0.0000000 0.3189655), wk = 0.0026042 k( 39) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0026042 k( 40) = ( 0.0000000 0.0000000 0.3362069), wk = 0.0026042 k( 41) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0026042 k( 42) = ( 0.0000000 0.0000000 0.3534483), wk = 0.0026042 k( 43) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0026042 k( 44) = ( 0.0000000 0.0000000 0.3706897), wk = 0.0026042 k( 45) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0026042 k( 46) = ( 0.0000000 0.0000000 0.3879310), wk = 0.0026042 k( 47) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0026042 k( 48) = ( 0.0000000 0.0000000 0.4051724), wk = 0.0026042 k( 49) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0026042 k( 50) = ( 0.0000000 0.0000000 0.4224138), wk = 0.0026042 k( 51) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0026042 k( 52) = ( 0.0000000 0.0000000 0.4396552), wk = 0.0026042 k( 53) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0026042 k( 54) = ( 0.0000000 0.0000000 0.4568966), wk = 0.0026042 k( 55) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0026042 k( 56) = ( 0.0000000 0.0000000 0.4741379), wk = 0.0026042 k( 57) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0026042 k( 58) = ( 0.0000000 0.0000000 0.4913793), wk = 0.0026042 k( 59) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026042 k( 60) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026042 k( 61) = ( -0.0084292 0.0084292 0.5000000), wk = 0.0026042 k( 62) = ( -0.0168584 0.0168584 0.5000000), wk = 0.0026042 k( 63) = ( -0.0252876 0.0252876 0.5000000), wk = 0.0026042 k( 64) = ( -0.0337168 0.0337168 0.5000000), wk = 0.0026042 k( 65) = ( -0.0421460 0.0421460 0.5000000), wk = 0.0026042 k( 66) = ( -0.0505752 0.0505752 0.5000000), wk = 0.0026042 k( 67) = ( -0.0590044 0.0590044 0.5000000), wk = 0.0026042 k( 68) = ( -0.0674336 0.0674336 0.5000000), wk = 0.0026042 k( 69) = ( -0.0758628 0.0758628 0.5000000), wk = 0.0026042 k( 70) = ( -0.0842920 0.0842920 0.5000000), wk = 0.0026042 k( 71) = ( -0.0927212 0.0927212 0.5000000), wk = 0.0026042 k( 72) = ( -0.1011504 0.1011504 0.5000000), wk = 0.0026042 k( 73) = ( -0.1011504 0.1011504 0.5000000), wk = 0.0026042 k( 74) = ( -0.1071936 0.1071936 0.4939568), wk = 0.0026042 k( 75) = ( -0.1132368 0.1132368 0.4879136), wk = 0.0026042 k( 76) = ( -0.1192800 0.1192800 0.4818705), wk = 0.0026042 k( 77) = ( -0.1253231 0.1253231 0.4758273), wk = 0.0026042 k( 78) = ( -0.1313663 0.1313663 0.4697841), wk = 0.0026042 k( 79) = ( -0.1374095 0.1374095 0.4637409), wk = 0.0026042 k( 80) = ( -0.1434527 0.1434527 0.4576978), wk = 0.0026042 k( 81) = ( -0.1494958 0.1494958 0.4516546), wk = 0.0026042 k( 82) = ( -0.1555390 0.1555390 0.4456114), wk = 0.0026042 k( 83) = ( -0.1615822 0.1615822 0.4395682), wk = 0.0026042 k( 84) = ( -0.1676254 0.1676254 0.4335251), wk = 0.0026042 k( 85) = ( -0.1736685 0.1736685 0.4274819), wk = 0.0026042 k( 86) = ( -0.1797117 0.1797117 0.4214387), wk = 0.0026042 k( 87) = ( -0.1857549 0.1857549 0.4153956), wk = 0.0026042 k( 88) = ( -0.1917981 0.1917981 0.4093524), wk = 0.0026042 k( 89) = ( -0.1978412 0.1978412 0.4033092), wk = 0.0026042 k( 90) = ( -0.2038844 0.2038844 0.3972660), wk = 0.0026042 k( 91) = ( -0.2099276 0.2099276 0.3912229), wk = 0.0026042 k( 92) = ( -0.2159708 0.2159708 0.3851797), wk = 0.0026042 k( 93) = ( -0.2220139 0.2220139 0.3791365), wk = 0.0026042 k( 94) = ( -0.2280571 0.2280571 0.3730933), wk = 0.0026042 k( 95) = ( -0.2341003 0.2341003 0.3670502), wk = 0.0026042 k( 96) = ( -0.2401435 0.2401435 0.3610070), wk = 0.0026042 k( 97) = ( -0.2461866 0.2461866 0.3549638), wk = 0.0026042 k( 98) = ( -0.2522298 0.2522298 0.3489206), wk = 0.0026042 k( 99) = ( -0.2582730 0.2582730 0.3428774), wk = 0.0026042 k( 100) = ( -0.2643162 0.2643162 0.3368343), wk = 0.0026042 k( 101) = ( -0.2703593 0.2703593 0.3307911), wk = 0.0026042 k( 102) = ( -0.2764025 0.2764025 0.3247479), wk = 0.0026042 k( 103) = ( -0.2824457 0.2824457 0.3187047), wk = 0.0026042 k( 104) = ( -0.2884889 0.2884889 0.3126616), wk = 0.0026042 k( 105) = ( -0.2945320 0.2945320 0.3066184), wk = 0.0026042 k( 106) = ( -0.3005752 0.3005752 0.3005752), wk = 0.0026042 k( 107) = ( -0.3005752 0.3005752 0.3005752), wk = 0.0026042 k( 108) = ( -0.2945637 0.2945637 0.2945637), wk = 0.0026042 k( 109) = ( -0.2885522 0.2885522 0.2885522), wk = 0.0026042 k( 110) = ( -0.2825407 0.2825407 0.2825407), wk = 0.0026042 k( 111) = ( -0.2765292 0.2765292 0.2765292), wk = 0.0026042 k( 112) = ( -0.2705177 0.2705177 0.2705177), wk = 0.0026042 k( 113) = ( -0.2645062 0.2645062 0.2645062), wk = 0.0026042 k( 114) = ( -0.2584947 0.2584947 0.2584947), wk = 0.0026042 k( 115) = ( -0.2524832 0.2524832 0.2524832), wk = 0.0026042 k( 116) = ( -0.2464717 0.2464717 0.2464717), wk = 0.0026042 k( 117) = ( -0.2404602 0.2404602 0.2404602), wk = 0.0026042 k( 118) = ( -0.2344487 0.2344487 0.2344487), wk = 0.0026042 k( 119) = ( -0.2284372 0.2284372 0.2284372), wk = 0.0026042 k( 120) = ( -0.2224257 0.2224257 0.2224257), wk = 0.0026042 k( 121) = ( -0.2164142 0.2164142 0.2164142), wk = 0.0026042 k( 122) = ( -0.2104026 0.2104026 0.2104027), wk = 0.0026042 k( 123) = ( -0.2043911 0.2043912 0.2043911), wk = 0.0026042 k( 124) = ( -0.1983796 0.1983796 0.1983796), wk = 0.0026042 k( 125) = ( -0.1923681 0.1923681 0.1923681), wk = 0.0026042 k( 126) = ( -0.1863566 0.1863566 0.1863566), wk = 0.0026042 k( 127) = ( -0.1803451 0.1803451 0.1803451), wk = 0.0026042 k( 128) = ( -0.1743336 0.1743336 0.1743336), wk = 0.0026042 k( 129) = ( -0.1683221 0.1683221 0.1683221), wk = 0.0026042 k( 130) = ( -0.1623106 0.1623106 0.1623106), wk = 0.0026042 k( 131) = ( -0.1562991 0.1562991 0.1562991), wk = 0.0026042 k( 132) = ( -0.1502876 0.1502876 0.1502876), wk = 0.0026042 k( 133) = ( -0.1442761 0.1442761 0.1442761), wk = 0.0026042 k( 134) = ( -0.1382646 0.1382646 0.1382646), wk = 0.0026042 k( 135) = ( -0.1322531 0.1322531 0.1322531), wk = 0.0026042 k( 136) = ( -0.1262416 0.1262416 0.1262416), wk = 0.0026042 k( 137) = ( -0.1202301 0.1202301 0.1202301), wk = 0.0026042 k( 138) = ( -0.1142186 0.1142186 0.1142186), wk = 0.0026042 k( 139) = ( -0.1082071 0.1082071 0.1082071), wk = 0.0026042 k( 140) = ( -0.1021956 0.1021956 0.1021956), wk = 0.0026042 k( 141) = ( -0.0961841 0.0961841 0.0961841), wk = 0.0026042 k( 142) = ( -0.0901726 0.0901726 0.0901726), wk = 0.0026042 k( 143) = ( -0.0841611 0.0841611 0.0841611), wk = 0.0026042 k( 144) = ( -0.0781496 0.0781496 0.0781496), wk = 0.0026042 k( 145) = ( -0.0721380 0.0721380 0.0721381), wk = 0.0026042 k( 146) = ( -0.0661266 0.0661266 0.0661266), wk = 0.0026042 k( 147) = ( -0.0601150 0.0601150 0.0601150), wk = 0.0026042 k( 148) = ( -0.0541035 0.0541035 0.0541035), wk = 0.0026042 k( 149) = ( -0.0480920 0.0480920 0.0480920), wk = 0.0026042 k( 150) = ( -0.0420805 0.0420805 0.0420805), wk = 0.0026042 k( 151) = ( -0.0360690 0.0360690 0.0360690), wk = 0.0026042 k( 152) = ( -0.0300575 0.0300575 0.0300575), wk = 0.0026042 k( 153) = ( -0.0240460 0.0240460 0.0240460), wk = 0.0026042 k( 154) = ( -0.0180345 0.0180345 0.0180345), wk = 0.0026042 k( 155) = ( -0.0120230 0.0120230 0.0120230), wk = 0.0026042 k( 156) = ( -0.0060115 0.0060115 0.0060115), wk = 0.0026042 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 159) = ( 0.0135135 0.0135135 -0.0135135), wk = 0.0026042 k( 160) = ( 0.0270270 0.0270270 -0.0270270), wk = 0.0026042 k( 161) = ( 0.0405405 0.0405405 -0.0405405), wk = 0.0026042 k( 162) = ( 0.0540540 0.0540541 -0.0540541), wk = 0.0026042 k( 163) = ( 0.0675676 0.0675676 -0.0675676), wk = 0.0026042 k( 164) = ( 0.0810811 0.0810811 -0.0810811), wk = 0.0026042 k( 165) = ( 0.0945946 0.0945946 -0.0945946), wk = 0.0026042 k( 166) = ( 0.1081081 0.1081081 -0.1081081), wk = 0.0026042 k( 167) = ( 0.1216216 0.1216216 -0.1216216), wk = 0.0026042 k( 168) = ( 0.1351351 0.1351351 -0.1351351), wk = 0.0026042 k( 169) = ( 0.1486486 0.1486486 -0.1486486), wk = 0.0026042 k( 170) = ( 0.1621622 0.1621622 -0.1621622), wk = 0.0026042 k( 171) = ( 0.1756757 0.1756757 -0.1756757), wk = 0.0026042 k( 172) = ( 0.1891892 0.1891892 -0.1891892), wk = 0.0026042 k( 173) = ( 0.2027027 0.2027027 -0.2027027), wk = 0.0026042 k( 174) = ( 0.2162162 0.2162162 -0.2162162), wk = 0.0026042 k( 175) = ( 0.2297297 0.2297297 -0.2297297), wk = 0.0026042 k( 176) = ( 0.2432432 0.2432432 -0.2432432), wk = 0.0026042 k( 177) = ( 0.2567568 0.2567568 -0.2567568), wk = 0.0026042 k( 178) = ( 0.2702703 0.2702703 -0.2702703), wk = 0.0026042 k( 179) = ( 0.2837838 0.2837838 -0.2837838), wk = 0.0026042 k( 180) = ( 0.2972973 0.2972973 -0.2972973), wk = 0.0026042 k( 181) = ( 0.3108108 0.3108108 -0.3108108), wk = 0.0026042 k( 182) = ( 0.3243243 0.3243243 -0.3243243), wk = 0.0026042 k( 183) = ( 0.3378378 0.3378378 -0.3378378), wk = 0.0026042 k( 184) = ( 0.3513514 0.3513514 -0.3513514), wk = 0.0026042 k( 185) = ( 0.3648649 0.3648649 -0.3648649), wk = 0.0026042 k( 186) = ( 0.3783784 0.3783784 -0.3783784), wk = 0.0026042 k( 187) = ( 0.3918919 0.3918919 -0.3918919), wk = 0.0026042 k( 188) = ( 0.4054054 0.4054054 -0.4054054), wk = 0.0026042 k( 189) = ( 0.4189189 0.4189189 -0.4189189), wk = 0.0026042 k( 190) = ( 0.4324324 0.4324324 -0.4324324), wk = 0.0026042 k( 191) = ( 0.4459459 0.4459459 -0.4459459), wk = 0.0026042 k( 192) = ( 0.4594595 0.4594595 -0.4594595), wk = 0.0026042 k( 193) = ( 0.4729730 0.4729730 -0.4729730), wk = 0.0026042 k( 194) = ( 0.4864865 0.4864865 -0.4864865), wk = 0.0026042 k( 195) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026042 k( 196) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026042 k( 197) = ( 0.4939568 0.5060432 -0.4939568), wk = 0.0026042 k( 198) = ( 0.4879136 0.5120864 -0.4879137), wk = 0.0026042 k( 199) = ( 0.4818705 0.5181295 -0.4818705), wk = 0.0026042 k( 200) = ( 0.4758273 0.5241727 -0.4758273), wk = 0.0026042 k( 201) = ( 0.4697841 0.5302159 -0.4697841), wk = 0.0026042 k( 202) = ( 0.4637409 0.5362590 -0.4637410), wk = 0.0026042 k( 203) = ( 0.4576978 0.5423022 -0.4576978), wk = 0.0026042 k( 204) = ( 0.4516546 0.5483454 -0.4516546), wk = 0.0026042 k( 205) = ( 0.4456114 0.5543886 -0.4456114), wk = 0.0026042 k( 206) = ( 0.4395682 0.5604318 -0.4395683), wk = 0.0026042 k( 207) = ( 0.4335251 0.5664749 -0.4335251), wk = 0.0026042 k( 208) = ( 0.4274819 0.5725181 -0.4274819), wk = 0.0026042 k( 209) = ( 0.4214387 0.5785613 -0.4214387), wk = 0.0026042 k( 210) = ( 0.4153956 0.5846045 -0.4153956), wk = 0.0026042 k( 211) = ( 0.4093524 0.5906476 -0.4093524), wk = 0.0026042 k( 212) = ( 0.4033092 0.5966908 -0.4033092), wk = 0.0026042 k( 213) = ( 0.3972660 0.6027340 -0.3972660), wk = 0.0026042 k( 214) = ( 0.3912229 0.6087771 -0.3912229), wk = 0.0026042 k( 215) = ( 0.3851797 0.6148203 -0.3851797), wk = 0.0026042 k( 216) = ( 0.3791365 0.6208635 -0.3791365), wk = 0.0026042 k( 217) = ( 0.3730933 0.6269067 -0.3730933), wk = 0.0026042 k( 218) = ( 0.3670502 0.6329499 -0.3670502), wk = 0.0026042 k( 219) = ( 0.3610070 0.6389930 -0.3610070), wk = 0.0026042 k( 220) = ( 0.3549638 0.6450362 -0.3549638), wk = 0.0026042 k( 221) = ( 0.3489206 0.6510794 -0.3489206), wk = 0.0026042 k( 222) = ( 0.3428774 0.6571226 -0.3428774), wk = 0.0026042 k( 223) = ( 0.3368343 0.6631657 -0.3368343), wk = 0.0026042 k( 224) = ( 0.3307911 0.6692089 -0.3307911), wk = 0.0026042 k( 225) = ( 0.3247479 0.6752521 -0.3247479), wk = 0.0026042 k( 226) = ( 0.3187047 0.6812953 -0.3187047), wk = 0.0026042 k( 227) = ( 0.3126616 0.6873384 -0.3126616), wk = 0.0026042 k( 228) = ( 0.3066184 0.6933816 -0.3066184), wk = 0.0026042 k( 229) = ( 0.3005752 0.6994248 -0.3005752), wk = 0.0026042 k( 230) = ( 0.3005752 0.6994248 -0.3005752), wk = 0.0026042 k( 231) = ( 0.2862621 0.6899284 -0.2862621), wk = 0.0026042 k( 232) = ( 0.2719490 0.6804320 -0.2719490), wk = 0.0026042 k( 233) = ( 0.2576359 0.6709355 -0.2576359), wk = 0.0026042 k( 234) = ( 0.2433228 0.6614391 -0.2433228), wk = 0.0026042 k( 235) = ( 0.2290097 0.6519427 -0.2290097), wk = 0.0026042 k( 236) = ( 0.2146966 0.6424463 -0.2146966), wk = 0.0026042 k( 237) = ( 0.2003835 0.6329499 -0.2003835), wk = 0.0026042 k( 238) = ( 0.1860704 0.6234534 -0.1860704), wk = 0.0026042 k( 239) = ( 0.1717573 0.6139570 -0.1717573), wk = 0.0026042 k( 240) = ( 0.1574442 0.6044606 -0.1574442), wk = 0.0026042 k( 241) = ( 0.1431311 0.5949642 -0.1431311), wk = 0.0026042 k( 242) = ( 0.1288179 0.5854678 -0.1288180), wk = 0.0026042 k( 243) = ( 0.1145049 0.5759713 -0.1145048), wk = 0.0026042 k( 244) = ( 0.1001917 0.5664749 -0.1001917), wk = 0.0026042 k( 245) = ( 0.0858786 0.5569785 -0.0858786), wk = 0.0026042 k( 246) = ( 0.0715655 0.5474821 -0.0715655), wk = 0.0026042 k( 247) = ( 0.0572524 0.5379857 -0.0572524), wk = 0.0026042 k( 248) = ( 0.0429393 0.5284892 -0.0429393), wk = 0.0026042 k( 249) = ( 0.0286262 0.5189928 -0.0286262), wk = 0.0026042 k( 250) = ( 0.0143131 0.5094964 -0.0143131), wk = 0.0026042 k( 251) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026042 k( 252) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026042 k( 253) = ( 0.0060976 0.4939024 0.0060976), wk = 0.0026042 k( 254) = ( 0.0121951 0.4878049 0.0121951), wk = 0.0026042 k( 255) = ( 0.0182927 0.4817073 0.0182927), wk = 0.0026042 k( 256) = ( 0.0243902 0.4756098 0.0243902), wk = 0.0026042 k( 257) = ( 0.0304878 0.4695122 0.0304878), wk = 0.0026042 k( 258) = ( 0.0365854 0.4634146 0.0365854), wk = 0.0026042 k( 259) = ( 0.0426829 0.4573171 0.0426829), wk = 0.0026042 k( 260) = ( 0.0487805 0.4512195 0.0487805), wk = 0.0026042 k( 261) = ( 0.0548780 0.4451220 0.0548780), wk = 0.0026042 k( 262) = ( 0.0609756 0.4390244 0.0609756), wk = 0.0026042 k( 263) = ( 0.0670732 0.4329268 0.0670732), wk = 0.0026042 k( 264) = ( 0.0731707 0.4268293 0.0731707), wk = 0.0026042 k( 265) = ( 0.0792683 0.4207317 0.0792683), wk = 0.0026042 k( 266) = ( 0.0853658 0.4146341 0.0853658), wk = 0.0026042 k( 267) = ( 0.0914634 0.4085366 0.0914634), wk = 0.0026042 k( 268) = ( 0.0975610 0.4024390 0.0975610), wk = 0.0026042 k( 269) = ( 0.1036585 0.3963415 0.1036585), wk = 0.0026042 k( 270) = ( 0.1097561 0.3902439 0.1097561), wk = 0.0026042 k( 271) = ( 0.1158537 0.3841463 0.1158537), wk = 0.0026042 k( 272) = ( 0.1219512 0.3780488 0.1219512), wk = 0.0026042 k( 273) = ( 0.1280488 0.3719512 0.1280488), wk = 0.0026042 k( 274) = ( 0.1341463 0.3658537 0.1341463), wk = 0.0026042 k( 275) = ( 0.1402439 0.3597561 0.1402439), wk = 0.0026042 k( 276) = ( 0.1463415 0.3536585 0.1463415), wk = 0.0026042 k( 277) = ( 0.1524390 0.3475610 0.1524390), wk = 0.0026042 k( 278) = ( 0.1585366 0.3414634 0.1585366), wk = 0.0026042 k( 279) = ( 0.1646342 0.3353659 0.1646341), wk = 0.0026042 k( 280) = ( 0.1707317 0.3292683 0.1707317), wk = 0.0026042 k( 281) = ( 0.1768293 0.3231707 0.1768293), wk = 0.0026042 k( 282) = ( 0.1829268 0.3170732 0.1829268), wk = 0.0026042 k( 283) = ( 0.1890244 0.3109756 0.1890244), wk = 0.0026042 k( 284) = ( 0.1951219 0.3048781 0.1951219), wk = 0.0026042 k( 285) = ( 0.2012195 0.2987805 0.2012195), wk = 0.0026042 k( 286) = ( 0.2073171 0.2926829 0.2073171), wk = 0.0026042 k( 287) = ( 0.2134146 0.2865854 0.2134146), wk = 0.0026042 k( 288) = ( 0.2195122 0.2804878 0.2195122), wk = 0.0026042 k( 289) = ( 0.2256098 0.2743902 0.2256098), wk = 0.0026042 k( 290) = ( 0.2317073 0.2682927 0.2317073), wk = 0.0026042 k( 291) = ( 0.2378049 0.2621951 0.2378049), wk = 0.0026042 k( 292) = ( 0.2439024 0.2560976 0.2439024), wk = 0.0026042 k( 293) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026042 k( 294) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026042 k( 295) = ( 0.2613636 0.2613636 0.2340386), wk = 0.0026042 k( 296) = ( 0.2727273 0.2727273 0.2180772), wk = 0.0026042 k( 297) = ( 0.2840909 0.2840909 0.2021158), wk = 0.0026042 k( 298) = ( 0.2954545 0.2954545 0.1861545), wk = 0.0026042 k( 299) = ( 0.3068182 0.3068182 0.1701931), wk = 0.0026042 k( 300) = ( 0.3181818 0.3181818 0.1542317), wk = 0.0026042 k( 301) = ( 0.3295455 0.3295455 0.1382703), wk = 0.0026042 k( 302) = ( 0.3409091 0.3409091 0.1223089), wk = 0.0026042 k( 303) = ( 0.3522727 0.3522727 0.1063475), wk = 0.0026042 k( 304) = ( 0.3636364 0.3636364 0.0903862), wk = 0.0026042 k( 305) = ( 0.3750000 0.3750000 0.0744248), wk = 0.0026042 k( 306) = ( 0.3863636 0.3863636 0.0584634), wk = 0.0026042 k( 307) = ( 0.3977273 0.3977273 0.0425020), wk = 0.0026042 k( 308) = ( 0.4090909 0.4090909 0.0265406), wk = 0.0026042 k( 309) = ( 0.4204545 0.4204545 0.0105792), wk = 0.0026042 k( 310) = ( 0.4318182 0.4318182 -0.0053821), wk = 0.0026042 k( 311) = ( 0.4431818 0.4431818 -0.0213435), wk = 0.0026042 k( 312) = ( 0.4545455 0.4545455 -0.0373049), wk = 0.0026042 k( 313) = ( 0.4659091 0.4659091 -0.0532663), wk = 0.0026042 k( 314) = ( 0.4772727 0.4772727 -0.0692277), wk = 0.0026042 k( 315) = ( 0.4886364 0.4886364 -0.0851890), wk = 0.0026042 k( 316) = ( 0.5000000 0.5000000 -0.1011504), wk = 0.0026042 k( 317) = ( 0.5000000 0.5000000 -0.1011504), wk = 0.0026042 k( 318) = ( 0.5000000 0.5000000 -0.1096366), wk = 0.0026042 k( 319) = ( 0.5000000 0.5000000 -0.1181228), wk = 0.0026042 k( 320) = ( 0.5000000 0.5000000 -0.1266089), wk = 0.0026042 k( 321) = ( 0.5000000 0.5000000 -0.1350951), wk = 0.0026042 k( 322) = ( 0.5000000 0.5000000 -0.1435812), wk = 0.0026042 k( 323) = ( 0.5000000 0.5000000 -0.1520674), wk = 0.0026042 k( 324) = ( 0.5000000 0.5000000 -0.1605536), wk = 0.0026042 k( 325) = ( 0.5000000 0.5000000 -0.1690397), wk = 0.0026042 k( 326) = ( 0.5000000 0.5000000 -0.1775259), wk = 0.0026042 k( 327) = ( 0.5000000 0.5000000 -0.1860121), wk = 0.0026042 k( 328) = ( 0.5000000 0.5000000 -0.1944982), wk = 0.0026042 k( 329) = ( 0.5000000 0.5000000 -0.2029844), wk = 0.0026042 k( 330) = ( 0.5000000 0.5000000 -0.2114705), wk = 0.0026042 k( 331) = ( 0.5000000 0.5000000 -0.2199567), wk = 0.0026042 k( 332) = ( 0.5000000 0.5000000 -0.2284429), wk = 0.0026042 k( 333) = ( 0.5000000 0.5000000 -0.2369290), wk = 0.0026042 k( 334) = ( 0.5000000 0.5000000 -0.2454152), wk = 0.0026042 k( 335) = ( 0.5000000 0.5000000 -0.2539013), wk = 0.0026042 k( 336) = ( 0.5000000 0.5000000 -0.2623875), wk = 0.0026042 k( 337) = ( 0.5000000 0.5000000 -0.2708737), wk = 0.0026042 k( 338) = ( 0.5000000 0.5000000 -0.2793598), wk = 0.0026042 k( 339) = ( 0.5000000 0.5000000 -0.2878460), wk = 0.0026042 k( 340) = ( 0.5000000 0.5000000 -0.2963321), wk = 0.0026042 k( 341) = ( 0.5000000 0.5000000 -0.3048183), wk = 0.0026042 k( 342) = ( 0.5000000 0.5000000 -0.3133045), wk = 0.0026042 k( 343) = ( 0.5000000 0.5000000 -0.3217906), wk = 0.0026042 k( 344) = ( 0.5000000 0.5000000 -0.3302768), wk = 0.0026042 k( 345) = ( 0.5000000 0.5000000 -0.3387629), wk = 0.0026042 k( 346) = ( 0.5000000 0.5000000 -0.3472491), wk = 0.0026042 k( 347) = ( 0.5000000 0.5000000 -0.3557353), wk = 0.0026042 k( 348) = ( 0.5000000 0.5000000 -0.3642214), wk = 0.0026042 k( 349) = ( 0.5000000 0.5000000 -0.3727076), wk = 0.0026042 k( 350) = ( 0.5000000 0.5000000 -0.3811938), wk = 0.0026042 k( 351) = ( 0.5000000 0.5000000 -0.3896799), wk = 0.0026042 k( 352) = ( 0.5000000 0.5000000 -0.3981661), wk = 0.0026042 k( 353) = ( 0.5000000 0.5000000 -0.4066522), wk = 0.0026042 k( 354) = ( 0.5000000 0.5000000 -0.4151384), wk = 0.0026042 k( 355) = ( 0.5000000 0.5000000 -0.4236246), wk = 0.0026042 k( 356) = ( 0.5000000 0.5000000 -0.4321107), wk = 0.0026042 k( 357) = ( 0.5000000 0.5000000 -0.4405969), wk = 0.0026042 k( 358) = ( 0.5000000 0.5000000 -0.4490830), wk = 0.0026042 k( 359) = ( 0.5000000 0.5000000 -0.4575692), wk = 0.0026042 k( 360) = ( 0.5000000 0.5000000 -0.4660554), wk = 0.0026042 k( 361) = ( 0.5000000 0.5000000 -0.4745415), wk = 0.0026042 k( 362) = ( 0.5000000 0.5000000 -0.4830277), wk = 0.0026042 k( 363) = ( 0.5000000 0.5000000 -0.4915138), wk = 0.0026042 k( 364) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026042 k( 365) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026042 k( 366) = ( 0.0131579 0.0131579 0.4868421), wk = 0.0026042 k( 367) = ( 0.0263158 0.0263158 0.4736842), wk = 0.0026042 k( 368) = ( 0.0394737 0.0394737 0.4605263), wk = 0.0026042 k( 369) = ( 0.0526316 0.0526316 0.4473684), wk = 0.0026042 k( 370) = ( 0.0657895 0.0657895 0.4342105), wk = 0.0026042 k( 371) = ( 0.0789474 0.0789474 0.4210526), wk = 0.0026042 k( 372) = ( 0.0921053 0.0921053 0.4078947), wk = 0.0026042 k( 373) = ( 0.1052632 0.1052632 0.3947368), wk = 0.0026042 k( 374) = ( 0.1184210 0.1184210 0.3815789), wk = 0.0026042 k( 375) = ( 0.1315790 0.1315790 0.3684210), wk = 0.0026042 k( 376) = ( 0.1447368 0.1447368 0.3552632), wk = 0.0026042 k( 377) = ( 0.1578947 0.1578947 0.3421053), wk = 0.0026042 k( 378) = ( 0.1710526 0.1710526 0.3289474), wk = 0.0026042 k( 379) = ( 0.1842105 0.1842105 0.3157895), wk = 0.0026042 k( 380) = ( 0.1973684 0.1973684 0.3026316), wk = 0.0026042 k( 381) = ( 0.2105263 0.2105263 0.2894737), wk = 0.0026042 k( 382) = ( 0.2236842 0.2236842 0.2763158), wk = 0.0026042 k( 383) = ( 0.2368421 0.2368421 0.2631579), wk = 0.0026042 k( 384) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026042 Dense grid: 31033 G-vectors FFT dimensions: ( 50, 50, 50) Smooth grid: 16799 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 122, 30) NL pseudopotentials 0.13 Mb ( 61, 136) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 862) G-vector shells 0.00 Mb ( 400) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.22 Mb ( 122, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.12 Mb ( 136, 2, 30) The potential is recalculated from file : ./TaAl3.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 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.1 secs Computing kpt #: 4 total cpu time spent up to now is 3.3 secs Computing kpt #: 5 total cpu time spent up to now is 3.6 secs Computing kpt #: 6 total cpu time spent up to now is 3.8 secs Computing kpt #: 7 total cpu time spent up to now is 4.0 secs Computing kpt #: 8 total cpu time spent up to now is 4.2 secs Computing kpt #: 9 total cpu time spent up to now is 4.5 secs Computing kpt #: 10 total cpu time spent up to now is 4.7 secs Computing kpt #: 11 total cpu time spent up to now is 4.9 secs Computing kpt #: 12 total cpu time spent up to now is 5.1 secs Computing kpt #: 13 total cpu time spent up to now is 5.4 secs Computing kpt #: 14 total cpu time spent up to now is 5.6 secs Computing kpt #: 15 total cpu time spent up to now is 5.8 secs Computing kpt #: 16 total cpu time spent up to now is 6.1 secs Computing kpt #: 17 total cpu time spent up to now is 6.3 secs Computing kpt #: 18 total cpu time spent up to now is 6.5 secs Computing kpt #: 19 total cpu time spent up to now is 6.8 secs Computing kpt #: 20 total cpu time spent up to now is 7.0 secs Computing kpt #: 21 total cpu time spent up to now is 7.2 secs Computing kpt #: 22 total cpu time spent up to now is 7.5 secs Computing kpt #: 23 total cpu time spent up to now is 7.7 secs Computing kpt #: 24 total cpu time spent up to now is 7.9 secs Computing kpt #: 25 total cpu time spent up to now is 8.2 secs Computing kpt #: 26 total cpu time spent up to now is 8.4 secs Computing kpt #: 27 total cpu time spent up to now is 8.7 secs Computing kpt #: 28 total cpu time spent up to now is 8.9 secs Computing kpt #: 29 total cpu time spent up to now is 9.1 secs Computing kpt #: 30 total cpu time spent up 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total cpu time spent up to now is 13.2 secs Computing kpt #: 47 total cpu time spent up to now is 13.4 secs Computing kpt #: 48 total cpu time spent up to now is 13.6 secs Computing kpt #: 49 total cpu time spent up to now is 13.9 secs Computing kpt #: 50 total cpu time spent up to now is 14.1 secs Computing kpt #: 51 total cpu time spent up to now is 14.3 secs Computing kpt #: 52 total cpu time spent up to now is 14.6 secs Computing kpt #: 53 total cpu time spent up to now is 14.8 secs Computing kpt #: 54 total cpu time spent up to now is 15.2 secs Computing kpt #: 55 total cpu time spent up to now is 15.5 secs Computing kpt #: 56 total cpu time spent up to now is 15.7 secs Computing kpt #: 57 total cpu time spent up to now is 15.9 secs Computing kpt #: 58 total cpu time spent up to now is 16.2 secs Computing kpt #: 59 total cpu time spent up to now is 16.4 secs Computing kpt #: 60 total cpu time spent up to now is 16.7 secs Computing kpt #: 61 total cpu time spent up to now is 16.9 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total cpu time spent up to now is 46.5 secs Computing kpt #: 186 total cpu time spent up to now is 46.7 secs Computing kpt #: 187 total cpu time spent up to now is 46.9 secs Computing kpt #: 188 total cpu time spent up to now is 47.1 secs Computing kpt #: 189 total cpu time spent up to now is 47.3 secs Computing kpt #: 190 total cpu time spent up to now is 47.5 secs Computing kpt #: 191 total cpu time spent up to now is 47.7 secs Computing kpt #: 192 total cpu time spent up to now is 48.0 secs Computing kpt #: 193 total cpu time spent up to now is 48.2 secs Computing kpt #: 194 total cpu time spent up to now is 48.5 secs Computing kpt #: 195 total cpu time spent up to now is 48.7 secs Computing kpt #: 196 total cpu time spent up to now is 48.9 secs Computing kpt #: 197 total cpu time spent up to now is 49.2 secs Computing kpt #: 198 total cpu time spent up to now is 49.5 secs Computing kpt #: 199 total cpu time spent up to now is 49.7 secs Computing kpt #: 200 total cpu time spent up 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to now is 61.1 secs Computing kpt #: 247 total cpu time spent up to now is 61.3 secs Computing kpt #: 248 total cpu time spent up to now is 61.6 secs Computing kpt #: 249 total cpu time spent up to now is 61.8 secs Computing kpt #: 250 total cpu time spent up to now is 62.0 secs Computing kpt #: 251 total cpu time spent up to now is 62.3 secs Computing kpt #: 252 total cpu time spent up to now is 62.5 secs Computing kpt #: 253 total cpu time spent up to now is 62.7 secs Computing kpt #: 254 total cpu time spent up to now is 63.0 secs Computing kpt #: 255 total cpu time spent up to now is 63.2 secs Computing kpt #: 256 total cpu time spent up to now is 63.4 secs Computing kpt #: 257 total cpu time spent up to now is 63.7 secs Computing kpt #: 258 total cpu time spent up to now is 63.9 secs Computing kpt #: 259 total cpu time spent up to now is 64.1 secs Computing kpt #: 260 total cpu time spent up to now is 64.4 secs Computing kpt #: 261 total cpu time spent up to now is 64.6 secs Computing kpt #: 262 total cpu time spent up to now is 64.8 secs Computing kpt #: 263 total cpu time spent up to now is 65.1 secs Computing kpt #: 264 total cpu time spent up to now is 65.3 secs Computing kpt #: 265 total cpu time spent up to now is 65.5 secs Computing kpt #: 266 total cpu time spent up to now is 65.7 secs Computing kpt #: 267 total cpu time spent up to now is 66.0 secs Computing kpt #: 268 total cpu time spent up to now is 66.2 secs Computing kpt #: 269 total cpu time spent up to now is 66.4 secs Computing kpt #: 270 total cpu time spent up to now is 66.6 secs Computing kpt #: 271 total cpu time spent up to now is 66.8 secs Computing kpt #: 272 total cpu time spent up to now is 67.1 secs Computing kpt #: 273 total cpu time spent up to now is 67.3 secs Computing kpt #: 274 total cpu time spent up to now is 67.5 secs Computing kpt #: 275 total cpu time spent up to now is 67.7 secs Computing kpt #: 276 total cpu time spent up to now is 67.9 secs Computing kpt #: 277 total cpu time spent up to now is 68.1 secs Computing kpt #: 278 total cpu time spent up to now is 68.3 secs Computing kpt #: 279 total cpu time spent up to now is 68.5 secs Computing kpt #: 280 total cpu time spent up to now is 68.8 secs Computing kpt #: 281 total cpu time spent up to now is 69.0 secs Computing kpt #: 282 total cpu time spent up to now is 69.2 secs Computing kpt #: 283 total cpu time spent up to now is 69.4 secs Computing kpt #: 284 total cpu time spent up to now is 69.6 secs Computing kpt #: 285 total cpu time spent up to now is 69.8 secs Computing kpt #: 286 total cpu time spent up to now is 70.0 secs Computing kpt #: 287 total cpu time spent up to now is 70.3 secs Computing kpt #: 288 total cpu time spent up to now is 70.5 secs Computing kpt #: 289 total cpu time spent up to now is 70.7 secs Computing kpt #: 290 total cpu time spent up to now is 71.0 secs Computing kpt #: 291 total cpu time spent up to now is 71.2 secs Computing kpt #: 292 total cpu time spent up to now is 71.4 secs Computing kpt #: 293 total cpu time spent up to now is 71.6 secs Computing kpt #: 294 total cpu time spent up to now is 71.9 secs Computing kpt #: 295 total cpu time spent up to now is 72.1 secs Computing kpt #: 296 total cpu time spent up to now is 72.3 secs Computing kpt #: 297 total cpu time spent up to now is 72.6 secs Computing kpt #: 298 total cpu time spent up to now is 72.8 secs Computing kpt #: 299 total cpu time spent up to now is 73.0 secs Computing kpt #: 300 total cpu time spent up to now is 73.3 secs Computing kpt #: 301 total cpu time spent up to now is 73.5 secs Computing kpt #: 302 total cpu time spent up to now is 73.7 secs Computing kpt #: 303 total cpu time spent up to now is 73.9 secs Computing kpt #: 304 total cpu time spent up to now is 74.2 secs Computing kpt #: 305 total cpu time spent up to now is 74.4 secs Computing kpt #: 306 total cpu time spent up to now is 74.6 secs Computing kpt #: 307 total cpu time spent up to now is 74.9 secs Computing kpt #: 308 total cpu time spent up to now is 75.1 secs Computing kpt #: 309 total cpu time spent up to now is 75.4 secs Computing kpt #: 310 total cpu time spent up to now is 75.7 secs Computing kpt #: 311 total cpu time spent up to now is 75.9 secs Computing kpt #: 312 total cpu time spent up to now is 76.2 secs Computing kpt #: 313 total cpu time spent up to now is 76.4 secs Computing kpt #: 314 total cpu time spent up to now is 76.7 secs Computing kpt #: 315 total cpu time spent up to now is 76.9 secs Computing kpt #: 316 total cpu time spent up to now is 77.1 secs Computing kpt #: 317 total cpu time spent up to now is 77.4 secs Computing kpt #: 318 total cpu time spent up to now is 77.6 secs Computing kpt #: 319 total cpu time spent up to now is 77.9 secs Computing kpt #: 320 total cpu time spent up to now is 78.1 secs Computing kpt #: 321 total cpu time spent up to now is 78.4 secs Computing kpt #: 322 total cpu time spent up to now is 78.6 secs Computing kpt #: 323 total cpu time spent up to now is 78.9 secs Computing kpt #: 324 total cpu time spent up to now is 79.2 secs Computing kpt #: 325 total cpu time spent up to now is 79.4 secs Computing kpt #: 326 total cpu time spent up to now is 79.7 secs Computing kpt #: 327 total cpu time spent up to now is 80.0 secs Computing kpt #: 328 total cpu time spent up to now is 80.2 secs Computing kpt #: 329 total cpu time spent up to now is 80.4 secs Computing kpt #: 330 total cpu time spent up to now is 80.6 secs Computing kpt #: 331 total cpu time spent up to now is 80.8 secs Computing kpt #: 332 total cpu time spent up to now is 81.0 secs Computing kpt #: 333 total cpu time spent up to now is 81.3 secs Computing kpt #: 334 total cpu time spent up to now is 81.5 secs Computing kpt #: 335 total cpu time spent up to now is 81.7 secs Computing kpt #: 336 total cpu time spent up to now is 81.9 secs Computing kpt #: 337 total cpu time spent up to now is 82.1 secs Computing kpt #: 338 total cpu time spent up to now is 82.3 secs Computing kpt #: 339 total cpu time spent up to now is 82.6 secs Computing kpt #: 340 total cpu time spent up to now is 82.9 secs Computing kpt #: 341 total cpu time spent up to now is 83.2 secs Computing kpt #: 342 total cpu time spent up to now is 83.5 secs Computing kpt #: 343 total cpu time spent up to now is 83.8 secs Computing kpt #: 344 total cpu time spent up to now is 84.0 secs Computing kpt #: 345 total cpu time spent up to now is 84.3 secs Computing kpt #: 346 total cpu time spent up to now is 84.5 secs Computing kpt #: 347 total cpu time spent up to now is 84.8 secs Computing kpt #: 348 total cpu time spent up to now is 85.0 secs Computing kpt #: 349 total cpu time spent up to now is 85.3 secs Computing kpt #: 350 total cpu time spent up to now is 85.6 secs Computing kpt #: 351 total cpu time spent up to now is 85.9 secs Computing kpt #: 352 total cpu time spent up to now is 86.2 secs Computing kpt #: 353 total cpu time spent up to now is 86.4 secs Computing kpt #: 354 total cpu time spent up to now is 86.6 secs Computing kpt #: 355 total cpu time spent up to now is 86.9 secs Computing kpt #: 356 total cpu time spent up to now is 87.1 secs Computing kpt #: 357 total cpu time spent up to now is 87.4 secs Computing kpt #: 358 total cpu time spent up to now is 87.7 secs Computing kpt #: 359 total cpu time spent up to now is 88.1 secs Computing kpt #: 360 total cpu time spent up to now is 88.5 secs Computing kpt #: 361 total cpu time spent up to now is 88.9 secs Computing kpt #: 362 total cpu time spent up to now is 89.3 secs Computing kpt #: 363 total cpu time spent up to now is 89.5 secs Computing kpt #: 364 total cpu time spent up to now is 89.7 secs Computing kpt #: 365 total cpu time spent up to now is 90.0 secs Computing kpt #: 366 total cpu time spent up to now is 90.2 secs Computing kpt #: 367 total cpu time spent up to now is 90.4 secs Computing kpt #: 368 total cpu time spent up to now is 90.7 secs Computing kpt #: 369 total cpu time spent up to now is 90.9 secs Computing kpt #: 370 total cpu time spent up to now is 91.1 secs Computing kpt #: 371 total cpu time spent up to now is 91.3 secs Computing kpt #: 372 total cpu time spent up to now is 91.6 secs Computing kpt #: 373 total cpu time spent up to now is 91.8 secs Computing kpt #: 374 total cpu time spent up to now is 92.0 secs Computing kpt #: 375 total cpu time spent up to now is 92.2 secs Computing kpt #: 376 total cpu time spent up to now is 92.5 secs Computing kpt #: 377 total cpu time spent up to now is 92.7 secs Computing kpt #: 378 total cpu time spent up to now is 92.9 secs Computing kpt #: 379 total cpu time spent up to now is 93.2 secs Computing kpt #: 380 total cpu time spent up to now is 93.4 secs Computing kpt #: 381 total cpu time spent up to now is 93.6 secs Computing kpt #: 382 total cpu time spent up to now is 93.8 secs Computing kpt #: 383 total cpu time spent up to now is 94.1 secs Computing kpt #: 384 total cpu time spent up to now is 94.3 secs ethr = 4.55E-08, avg # of iterations = 16.6 total cpu time spent up to now is 94.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2073 PWs) bands (ev): -55.7858 -55.7858 -28.7036 -28.7036 -20.0953 -20.0953 -19.9779 -19.9779 0.8019 0.8019 7.7168 7.7168 8.7048 8.7048 8.8810 8.8810 9.4728 9.4728 9.5393 9.5393 11.9216 11.9216 12.7309 12.7309 13.1815 13.1815 13.4316 13.4316 13.7567 13.7567 k = 0.0000 0.0000 0.0161 ( 2077 PWs) bands (ev): -55.7858 -55.7858 -28.7036 -28.7036 -20.0954 -20.0954 -19.9779 -19.9779 0.8036 0.8036 7.7183 7.7183 8.6998 8.6998 8.8803 8.8803 9.4726 9.4726 9.5395 9.5395 11.9074 11.9074 12.7379 12.7379 13.1840 13.1840 13.4389 13.4389 13.7547 13.7547 k = 0.0000 0.0000 0.0321 ( 2085 PWs) bands (ev): -55.7858 -55.7858 -28.7037 -28.7037 -20.0957 -20.0957 -19.9780 -19.9780 0.8087 0.8087 7.7230 7.7230 8.6852 8.6852 8.8782 8.8782 9.4674 9.4674 9.5444 9.5444 11.8665 11.8665 12.7575 12.7575 13.1913 13.1913 13.4606 13.4606 13.7489 13.7489 k = 0.0000 0.0000 0.0482 ( 2081 PWs) bands (ev): -55.7858 -55.7858 -28.7037 -28.7037 -20.0959 -20.0959 -19.9780 -19.9780 0.8172 0.8172 7.7307 7.7307 8.6622 8.6622 8.8748 8.8748 9.4498 9.4498 9.5607 9.5607 11.8029 11.8029 12.7867 12.7867 13.2030 13.2030 13.4963 13.4963 13.7395 13.7395 k = 0.0000 0.0000 0.0642 ( 2089 PWs) bands (ev): -55.7858 -55.7858 -28.7039 -28.7039 -20.0963 -20.0963 -19.9781 -19.9781 0.8291 0.8291 7.7416 7.7416 8.6323 8.6323 8.8701 8.8701 9.4189 9.4189 9.5880 9.5880 11.7209 11.7209 12.8220 12.8220 13.2183 13.2183 13.5454 13.5454 13.7269 13.7269 k = 0.0000 0.0000 0.0803 ( 2083 PWs) bands (ev): -55.7858 -55.7858 -28.7039 -28.7039 -20.0966 -20.0966 -19.9782 -19.9782 0.8444 0.8444 7.7555 7.7555 8.5969 8.5969 8.8641 8.8641 9.3773 9.3773 9.6231 9.6231 11.6247 11.6247 12.8609 12.8609 13.2367 13.2367 13.6070 13.6070 13.7119 13.7119 k = 0.0000 0.0000 0.0964 ( 2087 PWs) bands (ev): -55.7858 -55.7858 -28.7041 -28.7041 -20.0971 -20.0971 -19.9784 -19.9784 0.8630 0.8630 7.7724 7.7724 8.5576 8.5576 8.8569 8.8569 9.3269 9.3269 9.6633 9.6633 11.5174 11.5174 12.9019 12.9019 13.2570 13.2570 13.6770 13.6770 13.6981 13.6981 k = 0.0000 0.0000 0.1124 ( 2087 PWs) bands (ev): -55.7858 -55.7858 -28.7042 -28.7042 -20.0977 -20.0977 -19.9785 -19.9785 0.8850 0.8850 7.7923 7.7923 8.5156 8.5156 8.8486 8.8486 9.2691 9.2691 9.7067 9.7067 11.4014 11.4014 12.9442 12.9442 13.2786 13.2786 13.6747 13.6747 13.7660 13.7660 k = 0.0000 0.0000 0.1285 ( 2083 PWs) bands (ev): -55.7858 -55.7858 -28.7043 -28.7043 -20.0984 -20.0984 -19.9786 -19.9786 0.9104 0.9104 7.8151 7.8151 8.4716 8.4716 8.8393 8.8393 9.2051 9.2051 9.7521 9.7521 11.2787 11.2787 12.9873 12.9873 13.3007 13.3007 13.6561 13.6561 13.8592 13.8592 k = 0.0000 0.0000 0.1446 ( 2077 PWs) bands (ev): -55.7857 -55.7857 -28.7044 -28.7044 -20.0991 -20.0991 -19.9788 -19.9788 0.9391 0.9391 7.8409 7.8409 8.4266 8.4266 8.8289 8.8289 9.1360 9.1360 9.7984 9.7984 11.1507 11.1507 13.0310 13.0310 13.3225 13.3225 13.6375 13.6375 13.9612 13.9612 k = 0.0000 0.0000 0.1606 ( 2081 PWs) bands (ev): -55.7857 -55.7857 -28.7046 -28.7046 -20.0999 -20.0999 -19.9790 -19.9790 0.9711 0.9711 7.8694 7.8694 8.3811 8.3811 8.8173 8.8173 9.0628 9.0628 9.8446 9.8446 11.0187 11.0187 13.0750 13.0750 13.3434 13.3434 13.6202 13.6202 14.0705 14.0705 k = 0.0000 0.0000 0.1767 ( 2069 PWs) bands (ev): -55.7856 -55.7856 -28.7046 -28.7046 -20.1007 -20.1007 -19.9791 -19.9791 1.0065 1.0065 7.9006 7.9006 8.3355 8.3355 8.8044 8.8044 8.9868 8.9868 9.8901 9.8901 10.8838 10.8838 13.1190 13.1190 13.3629 13.3629 13.6053 13.6053 14.1862 14.1862 k = 0.0000 0.0000 0.1927 ( 2073 PWs) bands (ev): -55.7856 -55.7856 -28.7049 -28.7049 -20.1017 -20.1017 -19.9793 -19.9793 1.0451 1.0451 7.9344 7.9344 8.2903 8.2903 8.7888 8.7888 8.9101 8.9101 9.9342 9.9342 10.7468 10.7468 13.1627 13.1627 13.3801 13.3801 13.5939 13.5939 14.3070 14.3070 k = 0.0000 0.0000 0.2088 ( 2073 PWs) bands (ev): -55.7856 -55.7856 -28.7051 -28.7051 -20.1028 -20.1028 -19.9796 -19.9796 1.0870 1.0870 7.9706 7.9706 8.2458 8.2458 8.7647 8.7647 8.8394 8.8394 9.9761 9.9761 10.6087 10.6087 13.2055 13.2055 13.3942 13.3942 13.5876 13.5876 14.4318 14.4318 k = 0.0000 0.0000 0.2249 ( 2073 PWs) bands (ev): -55.7856 -55.7856 -28.7053 -28.7053 -20.1039 -20.1039 -19.9798 -19.9798 1.1321 1.1321 8.0087 8.0087 8.2024 8.2024 8.7131 8.7131 8.7943 8.7943 10.0152 10.0152 10.4703 10.4703 13.2466 13.2466 13.4044 13.4044 13.5879 13.5879 14.5595 14.5595 k = 0.0000 0.0000 0.2409 ( 2077 PWs) bands (ev): -55.7855 -55.7855 -28.7056 -28.7056 -20.1051 -20.1051 -19.9801 -19.9801 1.1804 1.1804 8.0478 8.0478 8.1611 8.1611 8.6373 8.6373 8.7724 8.7724 10.0503 10.0503 10.3331 10.3331 13.2851 13.2851 13.4102 13.4102 13.5958 13.5958 14.6887 14.6887 k = 0.0000 0.0000 0.2570 ( 2079 PWs) bands (ev): -55.7855 -55.7855 -28.7059 -28.7059 -20.1064 -20.1064 -19.9804 -19.9804 1.2319 1.2319 8.0806 8.0806 8.1290 8.1290 8.5550 8.5550 8.7567 8.7567 10.0761 10.0761 10.2027 10.2027 13.3200 13.3200 13.4120 13.4120 13.6117 13.6117 14.8181 14.8181 k = 0.0000 0.0000 0.2731 ( 2079 PWs) bands (ev): -55.7855 -55.7855 -28.7062 -28.7062 -20.1077 -20.1077 -19.9807 -19.9807 1.2865 1.2865 8.0669 8.0669 8.1453 8.1453 8.4714 8.4714 8.7428 8.7428 10.0328 10.0328 10.1389 10.1389 13.3497 13.3497 13.4114 13.4114 13.6348 13.6348 14.9460 14.9460 k = 0.0000 0.0000 0.2891 ( 2089 PWs) bands (ev): -55.7855 -55.7855 -28.7066 -28.7066 -20.1091 -20.1091 -19.9811 -19.9811 1.3442 1.3442 8.0310 8.0310 8.1841 8.1841 8.3899 8.3899 8.7298 8.7298 9.9082 9.9082 10.1543 10.1543 13.3697 13.3697 13.4133 13.4133 13.6639 13.6639 15.0705 15.0705 k = 0.0000 0.0000 0.3052 ( 2089 PWs) bands (ev): -55.7854 -55.7854 -28.7069 -28.7069 -20.1105 -20.1105 -19.9814 -19.9814 1.4051 1.4051 7.9939 7.9939 8.2135 8.2135 8.3211 8.3211 8.7174 8.7174 9.7772 9.7772 10.1745 10.1745 13.3719 13.3719 13.4265 13.4265 13.6976 13.6976 15.1892 15.1892 k = 0.0000 0.0000 0.3212 ( 2085 PWs) bands (ev): -55.7854 -55.7854 -28.7071 -28.7071 -20.1119 -20.1119 -19.9817 -19.9817 1.4690 1.4690 7.9577 7.9577 8.1843 8.1843 8.3122 8.3122 8.7056 8.7056 9.6481 9.6481 10.1922 10.1922 13.3598 13.3598 13.4476 13.4476 13.7342 13.7342 15.2993 15.2993 k = 0.0000 0.0000 0.3373 ( 2085 PWs) bands (ev): -55.7853 -55.7853 -28.7074 -28.7074 -20.1133 -20.1133 -19.9820 -19.9820 1.5358 1.5358 7.9227 7.9227 8.1107 8.1107 8.3479 8.3479 8.6943 8.6943 9.5228 9.5228 10.2061 10.2061 13.3389 13.3389 13.4712 13.4712 13.7725 13.7725 15.3958 15.3958 k = 0.0000 0.0000 0.3534 ( 2089 PWs) bands (ev): -55.7853 -55.7853 -28.7078 -28.7078 -20.1149 -20.1149 -19.9823 -19.9823 1.6057 1.6057 7.8889 7.8889 8.0304 8.0304 8.3892 8.3892 8.6836 8.6836 9.4035 9.4035 10.2161 10.2161 13.3099 13.3099 13.4962 13.4962 13.8111 13.8111 15.4691 15.4691 k = 0.0000 0.0000 0.3694 ( 2093 PWs) bands (ev): -55.7853 -55.7853 -28.7081 -28.7081 -20.1164 -20.1164 -19.9827 -19.9827 1.6784 1.6784 7.8561 7.8561 7.9500 7.9500 8.4277 8.4277 8.6731 8.6731 9.2929 9.2929 10.2220 10.2220 13.2723 13.2723 13.5228 13.5228 13.8490 13.8490 15.4956 15.4956 k = 0.0000 0.0000 0.3855 ( 2093 PWs) bands (ev): -55.7852 -55.7852 -28.7085 -28.7085 -20.1179 -20.1179 -19.9831 -19.9831 1.7540 1.7540 7.8222 7.8222 7.8726 7.8726 8.4582 8.4582 8.6624 8.6624 9.1954 9.1954 10.2241 10.2241 13.2253 13.2253 13.5510 13.5510 13.8854 13.8854 15.4596 15.4596 k = 0.0000 0.0000 0.4016 ( 2085 PWs) bands (ev): -55.7852 -55.7852 -28.7087 -28.7087 -20.1194 -20.1194 -19.9834 -19.9834 1.8324 1.8324 7.7739 7.7739 7.8124 7.8124 8.4744 8.4744 8.6506 8.6506 9.1179 9.1179 10.2223 10.2223 13.1682 13.1682 13.5810 13.5810 13.9196 13.9196 15.3922 15.3922 k = 0.0000 0.0000 0.4176 ( 2087 PWs) bands (ev): -55.7851 -55.7851 -28.7090 -28.7090 -20.1210 -20.1210 -19.9837 -19.9837 1.9136 1.9136 7.7024 7.7024 7.7784 7.7784 8.4682 8.4682 8.6375 8.6375 9.0682 9.0682 10.2169 10.2169 13.1008 13.1008 13.6127 13.6127 13.9510 13.9510 15.3196 15.3196 k = 0.0000 0.0000 0.4337 ( 2087 PWs) bands (ev): -55.7851 -55.7851 -28.7094 -28.7094 -20.1225 -20.1225 -19.9841 -19.9841 1.9975 1.9975 7.6271 7.6271 7.7514 7.7514 8.4330 8.4330 8.6255 8.6255 9.0502 9.0502 10.2081 10.2081 13.0233 13.0233 13.6458 13.6458 13.9792 13.9792 15.2514 15.2514 k = 0.0000 0.0000 0.4497 ( 2091 PWs) bands (ev): -55.7851 -55.7851 -28.7097 -28.7097 -20.1242 -20.1242 -19.9844 -19.9844 2.0840 2.0840 7.5525 7.5525 7.7270 7.7270 8.3709 8.3709 8.6163 8.6163 9.0599 9.0599 10.1962 10.1962 12.9365 12.9365 13.6800 13.6800 14.0040 14.0040 15.1909 15.1909 k = 0.0000 0.0000 0.4658 ( 2091 PWs) bands (ev): -55.7850 -55.7850 -28.7101 -28.7101 -20.1257 -20.1257 -19.9848 -19.9848 2.1731 2.1731 7.4794 7.4794 7.7046 7.7046 8.2903 8.2903 8.6095 8.6095 9.0886 9.0886 10.1815 10.1815 12.8418 12.8418 13.7150 13.7150 14.0251 14.0251 15.1392 15.1392 k = 0.0000 0.0000 0.4819 ( 2091 PWs) bands (ev): -55.7850 -55.7850 -28.7104 -28.7104 -20.1273 -20.1273 -19.9851 -19.9851 2.2647 2.2647 7.4080 7.4080 7.6839 7.6839 8.1994 8.1994 8.6041 8.6041 9.1285 9.1285 10.1642 10.1642 12.7408 12.7408 13.7504 13.7504 14.0424 14.0424 15.0960 15.0960 k = 0.0000 0.0000 0.4979 ( 2095 PWs) bands (ev): -55.7849 -55.7849 -28.7108 -28.7108 -20.1288 -20.1288 -19.9855 -19.9855 2.3587 2.3587 7.3386 7.3386 7.6648 7.6648 8.1036 8.1036 8.5996 8.5996 9.1742 9.1742 10.1446 10.1446 12.6356 12.6356 13.7857 13.7857 14.0560 14.0560 15.0608 15.0608 k = 0.0000 0.0000 0.5140 ( 2093 PWs) bands (ev): -55.7849 -55.7849 -28.7111 -28.7111 -20.1304 -20.1304 -19.9858 -19.9858 2.4551 2.4551 7.2713 7.2713 7.6473 7.6473 8.0057 8.0057 8.5958 8.5958 9.2219 9.2219 10.1231 10.1231 12.5285 12.5285 13.8205 13.8205 14.0660 14.0660 15.0325 15.0325 k = 0.0000 0.0000 0.5301 ( 2093 PWs) bands (ev): -55.7848 -55.7848 -28.7114 -28.7114 -20.1319 -20.1319 -19.9861 -19.9861 2.5537 2.5537 7.2061 7.2061 7.6312 7.6312 7.9078 7.9078 8.5926 8.5926 9.2686 9.2686 10.0999 10.0999 12.4220 12.4220 13.8544 13.8544 14.0725 14.0725 15.0101 15.0101 k = 0.0000 0.0000 0.5461 ( 2093 PWs) bands (ev): -55.7848 -55.7848 -28.7117 -28.7117 -20.1333 -20.1333 -19.9865 -19.9865 2.6544 2.6544 7.1430 7.1430 7.6163 7.6163 7.8108 7.8108 8.5901 8.5901 9.3121 9.3121 10.0753 10.0753 12.3187 12.3187 13.8870 13.8870 14.0757 14.0757 14.9925 14.9925 k = 0.0000 0.0000 0.5622 ( 2089 PWs) bands (ev): -55.7847 -55.7847 -28.7120 -28.7120 -20.1347 -20.1347 -19.9868 -19.9868 2.7572 2.7572 7.0823 7.0823 7.6023 7.6023 7.7160 7.7160 8.5882 8.5882 9.3502 9.3502 10.0495 10.0495 12.2213 12.2213 13.9179 13.9179 14.0759 14.0759 14.9787 14.9787 k = 0.0000 0.0000 0.5782 ( 2093 PWs) bands (ev): -55.7847 -55.7847 -28.7123 -28.7123 -20.1362 -20.1362 -19.9871 -19.9871 2.8619 2.8619 7.0238 7.0238 7.5848 7.5848 7.6279 7.6279 8.5868 8.5868 9.3807 9.3807 10.0227 10.0227 12.1325 12.1325 13.9466 13.9466 14.0736 14.0736 14.9678 14.9678 k = 0.0000 0.0000 0.5943 ( 2089 PWs) bands (ev): -55.7846 -55.7846 -28.7125 -28.7125 -20.1375 -20.1375 -19.9874 -19.9874 2.9684 2.9684 6.9677 6.9677 7.5224 7.5224 7.5881 7.5881 8.5861 8.5861 9.4016 9.4016 9.9953 9.9953 12.0550 12.0550 13.9725 13.9725 14.0694 14.0694 14.9591 14.9591 k = 0.0000 0.0000 0.6104 ( 2091 PWs) bands (ev): -55.7846 -55.7846 -28.7128 -28.7128 -20.1389 -20.1389 -19.9877 -19.9877 3.0766 3.0766 6.9140 6.9140 7.4355 7.4355 7.5764 7.5764 8.5858 8.5858 9.4113 9.4113 9.9673 9.9673 11.9912 11.9912 13.9947 13.9947 14.0643 14.0643 14.9519 14.9519 k = 0.0000 0.0000 0.6264 ( 2091 PWs) bands (ev): -55.7846 -55.7846 -28.7131 -28.7131 -20.1402 -20.1402 -19.9880 -19.9880 3.1862 3.1862 6.8627 6.8627 7.3491 7.3491 7.5679 7.5679 8.5860 8.5860 9.4081 9.4081 9.9389 9.9389 11.9431 11.9431 14.0104 14.0104 14.0614 14.0614 14.9457 14.9457 k = 0.0000 0.0000 0.6425 ( 2105 PWs) bands (ev): -55.7846 -55.7846 -28.7135 -28.7135 -20.1416 -20.1416 -19.9883 -19.9883 3.2972 3.2972 6.8139 6.8139 7.2647 7.2647 7.5609 7.5609 8.5867 8.5867 9.3912 9.3912 9.9104 9.9104 11.9123 11.9123 14.0149 14.0149 14.0654 14.0654 14.9401 14.9401 k = 0.0000 0.0000 0.6585 ( 2097 PWs) bands (ev): -55.7845 -55.7845 -28.7137 -28.7137 -20.1428 -20.1428 -19.9885 -19.9885 3.4092 3.4092 6.7675 6.7675 7.1826 7.1826 7.5551 7.5551 8.5876 8.5876 9.3606 9.3606 9.8819 9.8819 11.8993 11.8993 14.0089 14.0089 14.0762 14.0762 14.9347 14.9347 k = 0.0000 0.0000 0.6746 ( 2093 PWs) bands (ev): -55.7845 -55.7845 -28.7139 -28.7139 -20.1439 -20.1439 -19.9887 -19.9887 3.5221 3.5221 6.7237 6.7237 7.1028 7.1028 7.5505 7.5505 8.5889 8.5889 9.3168 9.3168 9.8537 9.8537 11.9039 11.9039 13.9976 13.9976 14.0887 14.0887 14.9292 14.9292 k = 0.0000 0.0000 0.6907 ( 2089 PWs) bands (ev): -55.7844 -55.7844 -28.7141 -28.7141 -20.1449 -20.1449 -19.9890 -19.9890 3.6356 3.6356 6.6824 6.6824 7.0252 7.0252 7.5467 7.5467 8.5903 8.5903 9.2612 9.2612 9.8259 9.8259 11.9253 11.9253 13.9840 13.9840 14.1003 14.1003 14.9233 14.9233 k = 0.0000 0.0000 0.7067 ( 2097 PWs) bands (ev): -55.7844 -55.7844 -28.7144 -28.7144 -20.1460 -20.1460 -19.9892 -19.9892 3.7494 3.7494 6.6437 6.6437 6.9499 6.9499 7.5439 7.5439 8.5916 8.5916 9.1957 9.1957 9.7988 9.7988 11.9618 11.9618 13.9692 13.9692 14.1104 14.1104 14.9166 14.9166 k = 0.0000 0.0000 0.7228 ( 2097 PWs) bands (ev): -55.7844 -55.7844 -28.7147 -28.7147 -20.1470 -20.1470 -19.9894 -19.9894 3.8631 3.8631 6.6076 6.6076 6.8767 6.8767 7.5418 7.5418 8.5928 8.5928 9.1227 9.1227 9.7727 9.7727 12.0116 12.0116 13.9538 13.9538 14.1186 14.1186 14.9087 14.9087 k = 0.0000 0.0000 0.7389 ( 2101 PWs) bands (ev): -55.7844 -55.7844 -28.7149 -28.7149 -20.1480 -20.1480 -19.9897 -19.9897 3.9763 3.9763 6.5740 6.5740 6.8055 6.8055 7.5405 7.5405 8.5934 8.5934 9.0448 9.0448 9.7477 9.7477 12.0727 12.0727 13.9384 13.9384 14.1250 14.1250 14.8991 14.8991 k = 0.0000 0.0000 0.7549 ( 2105 PWs) bands (ev): -55.7844 -55.7844 -28.7151 -28.7151 -20.1489 -20.1489 -19.9899 -19.9899 4.0885 4.0885 6.5431 6.5431 6.7362 6.7362 7.5397 7.5397 8.5930 8.5930 8.9647 8.9647 9.7241 9.7241 12.1429 12.1429 13.9231 13.9231 14.1296 14.1296 14.8869 14.8869 k = 0.0000 0.0000 0.7710 ( 2105 PWs) bands (ev): -55.7843 -55.7843 -28.7153 -28.7153 -20.1497 -20.1497 -19.9900 -19.9900 4.1990 4.1990 6.5147 6.5147 6.6687 6.6687 7.5395 7.5395 8.5906 8.5906 8.8857 8.8857 9.7018 9.7018 12.2202 12.2202 13.9084 13.9084 14.1325 14.1325 14.8707 14.8707 k = 0.0000 0.0000 0.7870 ( 2100 PWs) bands (ev): -55.7843 -55.7843 -28.7154 -28.7154 -20.1503 -20.1503 -19.9902 -19.9902 4.3071 4.3071 6.4889 6.4889 6.6032 6.6032 7.5398 7.5398 8.5842 8.5842 8.8117 8.8117 9.6812 9.6812 12.3027 12.3027 13.8944 13.8944 14.1337 14.1337 14.8486 14.8486 k = 0.0000 0.0000 0.8031 ( 2100 PWs) bands (ev): -55.7843 -55.7843 -28.7156 -28.7156 -20.1509 -20.1509 -19.9904 -19.9904 4.4120 4.4120 6.4656 6.4656 6.5399 6.5399 7.5404 7.5404 8.5699 8.5699 8.7485 8.7485 9.6624 9.6624 12.3881 12.3881 13.8814 13.8814 14.1333 14.1333 14.8179 14.8179 k = 0.0000 0.0000 0.8192 ( 2100 PWs) bands (ev): -55.7843 -55.7843 -28.7157 -28.7157 -20.1515 -20.1515 -19.9905 -19.9905 4.5123 4.5123 6.4438 6.4438 6.4799 6.4799 7.5413 7.5413 8.5422 8.5422 8.7034 8.7034 9.6454 9.6454 12.4746 12.4746 13.8697 13.8697 14.1313 14.1313 14.7768 14.7768 k = 0.0000 0.0000 0.8352 ( 2100 PWs) bands (ev): -55.7843 -55.7843 -28.7158 -28.7158 -20.1520 -20.1520 -19.9906 -19.9906 4.6068 4.6068 6.4127 6.4127 6.4348 6.4348 7.5425 7.5425 8.5008 8.5008 8.6781 8.6781 9.6303 9.6303 12.5598 12.5598 13.8593 13.8593 14.1278 14.1278 14.7264 14.7264 k = 0.0000 0.0000 0.8513 ( 2100 PWs) bands (ev): -55.7842 -55.7842 -28.7159 -28.7159 -20.1524 -20.1524 -19.9907 -19.9907 4.6936 4.6936 6.3618 6.3618 6.4160 6.4160 7.5437 7.5437 8.4540 8.4540 8.6659 8.6659 9.6174 9.6174 12.6411 12.6411 13.8505 13.8505 14.1226 14.1226 14.6710 14.6710 k = 0.0000 0.0000 0.8674 ( 2096 PWs) bands (ev): -55.7842 -55.7842 -28.7159 -28.7159 -20.1527 -20.1527 -19.9907 -19.9907 4.7706 4.7706 6.3130 6.3130 6.4031 6.4031 7.5449 7.5449 8.4096 8.4096 8.6602 8.6602 9.6067 9.6067 12.7154 12.7154 13.8433 13.8433 14.1159 14.1159 14.6164 14.6164 k = 0.0000 0.0000 0.8834 ( 2092 PWs) bands (ev): -55.7842 -55.7842 -28.7159 -28.7159 -20.1529 -20.1529 -19.9908 -19.9908 4.8351 4.8351 6.2709 6.2709 6.3933 6.3933 7.5460 7.5460 8.3721 8.3721 8.6574 8.6574 9.5983 9.5983 12.7792 12.7792 13.8379 13.8379 14.1082 14.1082 14.5682 14.5682 k = 0.0000 0.0000 0.8995 ( 2096 PWs) bands (ev): -55.7842 -55.7842 -28.7160 -28.7160 -20.1532 -20.1532 -19.9908 -19.9908 4.8841 4.8841 6.2381 6.2381 6.3864 6.3864 7.5469 7.5469 8.3441 8.3441 8.6561 8.6561 9.5922 9.5922 12.8288 12.8288 13.8342 13.8342 14.1006 14.1006 14.5306 14.5306 k = 0.0000 0.0000 0.9155 ( 2094 PWs) bands (ev): -55.7842 -55.7842 -28.7160 -28.7160 -20.1533 -20.1533 -19.9908 -19.9908 4.9150 4.9150 6.2172 6.2172 6.3823 6.3823 7.5474 7.5474 8.3268 8.3268 8.6555 8.6555 9.5886 9.5886 12.8604 12.8604 13.8320 13.8320 14.0949 14.0949 14.5070 14.5070 k = 0.0000 0.0000 0.9316 ( 2098 PWs) bands (ev): -55.7842 -55.7842 -28.7161 -28.7161 -20.1534 -20.1534 -19.9909 -19.9909 4.9256 4.9256 6.2100 6.2100 6.3809 6.3809 7.5476 7.5476 8.3209 8.3209 8.6554 8.6554 9.5873 9.5873 12.8713 12.8713 13.8313 13.8313 14.0927 14.0927 14.4989 14.4989 k = 0.0000 0.0000 0.9316 ( 2098 PWs) bands (ev): -55.7842 -55.7842 -28.7161 -28.7161 -20.1534 -20.1534 -19.9909 -19.9909 4.9256 4.9256 6.2100 6.2100 6.3809 6.3809 7.5476 7.5476 8.3209 8.3209 8.6554 8.6554 9.5873 9.5873 12.8713 12.8713 13.8313 13.8313 14.0927 14.0927 14.4989 14.4989 k =-0.0084 0.0133 0.9316 ( 2092 PWs) bands (ev): -55.7842 -55.7842 -28.7160 -28.7160 -20.1533 -20.1533 -19.9908 -19.9908 4.9267 4.9267 6.2100 6.2100 6.3674 6.3674 7.5639 7.5639 8.2942 8.2942 8.6790 8.6790 9.5884 9.5884 12.8766 12.8766 13.8201 13.8201 14.0930 14.0930 14.5064 14.5064 k =-0.0169 0.0265 0.9316 ( 2100 PWs) bands (ev): -55.7842 -55.7842 -28.7161 -28.7161 -20.1533 -20.1533 -19.9909 -19.9909 4.9300 4.9300 6.2092 6.2092 6.3301 6.3301 7.6104 7.6104 8.2289 8.2289 8.7352 8.7352 9.5914 9.5914 12.8923 12.8923 13.7894 13.7894 14.0913 14.0913 14.5285 14.5285 k =-0.0253 0.0398 0.9316 ( 2094 PWs) bands (ev): -55.7842 -55.7842 -28.7160 -28.7160 -20.1530 -20.1530 -19.9908 -19.9908 4.9354 4.9354 6.2010 6.2010 6.2806 6.2806 7.6815 7.6815 8.1450 8.1450 8.8045 8.8045 9.5966 9.5966 12.9180 12.9180 13.7451 13.7451 14.0835 14.0835 14.5639 14.5639 k =-0.0337 0.0530 0.9316 ( 2090 PWs) bands (ev): -55.7842 -55.7842 -28.7159 -28.7159 -20.1527 -20.1527 -19.9908 -19.9908 4.9429 4.9429 6.1595 6.1595 6.2508 6.2508 7.7704 7.7704 8.0531 8.0531 8.8778 8.8778 9.6038 9.6038 12.9530 12.9530 13.6924 13.6924 14.0671 14.0671 14.6101 14.6101 k =-0.0421 0.0663 0.9316 ( 2090 PWs) bands (ev): -55.7842 -55.7842 -28.7158 -28.7158 -20.1524 -20.1524 -19.9907 -19.9907 4.9523 4.9523 6.0822 6.0822 6.2482 6.2482 7.8612 7.8612 7.9682 7.9682 8.9514 8.9514 9.6130 9.6130 12.9964 12.9964 13.6348 13.6348 14.0425 14.0425 14.6639 14.6639 k =-0.0506 0.0795 0.9316 ( 2082 PWs) bands (ev): -55.7842 -55.7842 -28.7157 -28.7157 -20.1519 -20.1519 -19.9906 -19.9906 4.9635 4.9635 5.9915 5.9915 6.2541 6.2541 7.8318 7.8318 8.0109 8.0109 9.0238 9.0238 9.6243 9.6243 13.0469 13.0469 13.5743 13.5743 14.0107 14.0107 14.7221 14.7221 k =-0.0590 0.0928 0.9316 ( 2082 PWs) bands (ev): -55.7842 -55.7842 -28.7156 -28.7156 -20.1515 -20.1515 -19.9906 -19.9906 4.9762 4.9762 5.8948 5.8948 6.2634 6.2634 7.7330 7.7330 8.1292 8.1292 9.0944 9.0944 9.6376 9.6376 13.1029 13.1029 13.5125 13.5125 13.9735 13.9735 14.7819 14.7819 k =-0.0674 0.1060 0.9316 ( 2086 PWs) bands (ev): -55.7842 -55.7842 -28.7155 -28.7155 -20.1510 -20.1510 -19.9905 -19.9905 4.9902 4.9902 5.7952 5.7952 6.2750 6.2750 7.6288 7.6288 8.2582 8.2582 9.1630 9.1630 9.6529 9.6529 13.1625 13.1625 13.4502 13.4502 13.9322 13.9322 14.8415 14.8415 k =-0.0759 0.1193 0.9316 ( 2084 PWs) bands (ev): -55.7842 -55.7842 -28.7154 -28.7154 -20.1504 -20.1504 -19.9905 -19.9905 5.0052 5.0052 5.6941 5.6941 6.2886 6.2886 7.5237 7.5237 8.3931 8.3931 9.2297 9.2297 9.6702 9.6702 13.2232 13.2232 13.3888 13.3888 13.8882 13.8882 14.9002 14.9002 k =-0.0843 0.1325 0.9316 ( 2084 PWs) bands (ev): -55.7843 -55.7843 -28.7152 -28.7152 -20.1497 -20.1497 -19.9904 -19.9904 5.0207 5.0207 5.5928 5.5928 6.3040 6.3040 7.4194 7.4194 8.5322 8.5322 9.2947 9.2947 9.6895 9.6895 13.2755 13.2755 13.3359 13.3359 13.8425 13.8425 14.9592 14.9592 k =-0.0927 0.1458 0.9316 ( 2086 PWs) bands (ev): -55.7843 -55.7843 -28.7151 -28.7151 -20.1489 -20.1489 -19.9903 -19.9903 5.0360 5.0360 5.4918 5.4918 6.3211 6.3211 7.3169 7.3169 8.6745 8.6745 9.3582 9.3582 9.7109 9.7109 13.2524 13.2524 13.3567 13.3567 13.7961 13.7961 15.0204 15.0204 k =-0.1012 0.1590 0.9316 ( 2084 PWs) bands (ev): -55.7843 -55.7843 -28.7149 -28.7149 -20.1481 -20.1481 -19.9902 -19.9902 5.0503 5.0503 5.3921 5.3921 6.3398 6.3398 7.2174 7.2174 8.8193 8.8193 9.4207 9.4207 9.7342 9.7342 13.1938 13.1938 13.4093 13.4093 13.7498 13.7498 15.0863 15.0863 k =-0.1012 0.1590 0.9316 ( 2084 PWs) bands (ev): -55.7843 -55.7843 -28.7149 -28.7149 -20.1481 -20.1481 -19.9902 -19.9902 5.0503 5.0503 5.3921 5.3921 6.3398 6.3398 7.2174 7.2174 8.8193 8.8193 9.4207 9.4207 9.7342 9.7342 13.1938 13.1938 13.4093 13.4093 13.7498 13.7498 15.0863 15.0863 k =-0.1072 0.1685 0.9203 ( 2080 PWs) bands (ev): -55.7843 -55.7843 -28.7147 -28.7147 -20.1475 -20.1475 -19.9901 -19.9901 5.0552 5.0552 5.3225 5.3225 6.3524 6.3524 7.1549 7.1549 8.9240 8.9240 9.4651 9.4651 9.7529 9.7529 13.1482 13.1482 13.4454 13.4454 13.7174 13.7174 15.1373 15.1373 k =-0.1132 0.1780 0.9091 ( 2082 PWs) bands (ev): -55.7843 -55.7843 -28.7146 -28.7146 -20.1468 -20.1468 -19.9900 -19.9900 5.0514 5.0514 5.2555 5.2555 6.3578 6.3578 7.1114 7.1114 9.0288 9.0288 9.5094 9.5094 9.7741 9.7741 13.1013 13.1013 13.4760 13.4760 13.6865 13.6865 15.1897 15.1897 k =-0.1193 0.1875 0.8978 ( 2078 PWs) bands (ev): -55.7844 -55.7844 -28.7144 -28.7144 -20.1461 -20.1461 -19.9899 -19.9899 5.0391 5.0391 5.1921 5.1921 6.3502 6.3502 7.0918 7.0918 9.1331 9.1331 9.5533 9.5533 9.7984 9.7984 13.0556 13.0556 13.4996 13.4996 13.6574 13.6574 15.2408 15.2408 k =-0.1253 0.1970 0.8866 ( 2077 PWs) bands (ev): -55.7844 -55.7844 -28.7142 -28.7142 -20.1453 -20.1453 -19.9898 -19.9898 5.0179 5.0179 5.1339 5.1339 6.3257 6.3257 7.0989 7.0989 9.2359 9.2359 9.5967 9.5967 9.8260 9.8260 13.0124 13.0124 13.5161 13.5161 13.6308 13.6308 15.2891 15.2891 k =-0.1314 0.2065 0.8753 ( 2077 PWs) bands (ev): -55.7844 -55.7844 -28.7141 -28.7141 -20.1444 -20.1444 -19.9897 -19.9897 4.9865 4.9865 5.0834 5.0834 6.2847 6.2847 7.1313 7.1313 9.3359 9.3359 9.6396 9.6396 9.8579 9.8579 12.9724 12.9724 13.5259 13.5259 13.6074 13.6074 15.3333 15.3333 k =-0.1374 0.2160 0.8640 ( 2077 PWs) bands (ev): -55.7844 -55.7844 -28.7139 -28.7139 -20.1436 -20.1436 -19.9895 -19.9895 4.9447 4.9447 5.0418 5.0418 6.2305 6.2305 7.1849 7.1849 9.4315 9.4315 9.6818 9.6818 9.8954 9.8954 12.9361 12.9361 13.5287 13.5287 13.5881 13.5881 15.3731 15.3731 k =-0.1435 0.2255 0.8528 ( 2083 PWs) bands (ev): -55.7845 -55.7845 -28.7138 -28.7138 -20.1427 -20.1427 -19.9895 -19.9895 4.8957 4.8957 5.0068 5.0068 6.1673 6.1673 7.2546 7.2546 9.5204 9.5204 9.7232 9.7232 9.9402 9.9402 12.9040 12.9040 13.5248 13.5248 13.5739 13.5739 15.4083 15.4083 k =-0.1495 0.2350 0.8415 ( 2083 PWs) bands (ev): -55.7845 -55.7845 -28.7136 -28.7136 -20.1418 -20.1418 -19.9893 -19.9893 4.8437 4.8437 4.9750 4.9750 6.0986 6.0986 7.3363 7.3363 9.6002 9.6002 9.7636 9.7636 9.9943 9.9943 12.8765 12.8765 13.5155 13.5155 13.5646 13.5646 15.4384 15.4384 k =-0.1555 0.2445 0.8303 ( 2083 PWs) bands (ev): -55.7845 -55.7845 -28.7133 -28.7133 -20.1409 -20.1409 -19.9891 -19.9891 4.7913 4.7913 4.9445 4.9445 6.0269 6.0269 7.4268 7.4268 9.6692 9.6692 9.8026 9.8026 10.0593 10.0593 12.8540 12.8540 13.5035 13.5035 13.5581 13.5581 15.4634 15.4634 k =-0.1616 0.2540 0.8190 ( 2086 PWs) bands (ev): -55.7846 -55.7846 -28.7132 -28.7132 -20.1400 -20.1400 -19.9889 -19.9889 4.7396 4.7396 4.9145 4.9145 5.9542 5.9542 7.5238 7.5238 9.7270 9.7270 9.8399 9.8399 10.1348 10.1348 12.8366 12.8366 13.4908 13.4908 13.5535 13.5535 15.4825 15.4825 k =-0.1676 0.2635 0.8077 ( 2092 PWs) bands (ev): -55.7846 -55.7846 -28.7130 -28.7130 -20.1391 -20.1391 -19.9888 -19.9888 4.6893 4.6893 4.8848 4.8848 5.8816 5.8816 7.6256 7.6256 9.7751 9.7751 9.8755 9.8755 10.2190 10.2190 12.8246 12.8246 13.4777 13.4777 13.5511 13.5511 15.4951 15.4951 k =-0.1737 0.2730 0.7965 ( 2094 PWs) bands (ev): -55.7847 -55.7847 -28.7128 -28.7128 -20.1382 -20.1382 -19.9886 -19.9886 4.6408 4.6408 4.8555 4.8555 5.8099 5.8099 7.7311 7.7311 9.8152 9.8152 9.9096 9.9096 10.3092 10.3092 12.8182 12.8182 13.4638 13.4638 13.5520 13.5520 15.5005 15.5005 k =-0.1797 0.2825 0.7852 ( 2096 PWs) bands (ev): -55.7847 -55.7847 -28.7126 -28.7126 -20.1373 -20.1373 -19.9884 -19.9884 4.5941 4.5941 4.8268 4.8268 5.7398 5.7398 7.8393 7.8393 9.8491 9.8491 9.9422 9.9422 10.4028 10.4028 12.8176 12.8176 13.4486 13.4486 13.5575 13.5575 15.4977 15.4977 k =-0.1858 0.2920 0.7740 ( 2096 PWs) bands (ev): -55.7847 -55.7847 -28.7124 -28.7124 -20.1363 -20.1363 -19.9881 -19.9881 4.5495 4.5495 4.7986 4.7986 5.6718 5.6718 7.9493 7.9493 9.8778 9.8778 9.9738 9.9738 10.4978 10.4978 12.8226 12.8226 13.4316 13.4316 13.5684 13.5684 15.4855 15.4855 k =-0.1918 0.3015 0.7627 ( 2096 PWs) bands (ev): -55.7848 -55.7848 -28.7122 -28.7122 -20.1354 -20.1354 -19.9879 -19.9879 4.5069 4.5069 4.7713 4.7713 5.6062 5.6062 8.0605 8.0605 9.9021 9.9021 10.0043 10.0043 10.5925 10.5925 12.8333 12.8333 13.4129 13.4129 13.5853 13.5853 15.4631 15.4631 k =-0.1978 0.3110 0.7515 ( 2094 PWs) bands (ev): -55.7848 -55.7848 -28.7120 -28.7120 -20.1345 -20.1345 -19.9876 -19.9876 4.4665 4.4665 4.7448 4.7448 5.5433 5.5433 8.1723 8.1723 9.9225 9.9225 10.0339 10.0339 10.6858 10.6858 12.8495 12.8495 13.3927 13.3927 13.6087 13.6087 15.4295 15.4295 k =-0.2039 0.3205 0.7402 ( 2100 PWs) bands (ev): -55.7848 -55.7848 -28.7118 -28.7118 -20.1337 -20.1337 -19.9874 -19.9874 4.4283 4.4283 4.7193 4.7193 5.4832 5.4832 8.2841 8.2841 9.9395 9.9395 10.0625 10.0625 10.7766 10.7766 12.8710 12.8710 13.3710 13.3710 13.6388 13.6388 15.3845 15.3845 k =-0.2099 0.3300 0.7289 ( 2104 PWs) bands (ev): -55.7849 -55.7849 -28.7117 -28.7117 -20.1329 -20.1329 -19.9872 -19.9872 4.3923 4.3923 4.6948 4.6948 5.4262 5.4262 8.3954 8.3954 9.9532 9.9532 10.0900 10.0900 10.8642 10.8642 12.8974 12.8974 13.3484 13.3484 13.6757 13.6757 15.3283 15.3283 k =-0.2160 0.3395 0.7177 ( 2110 PWs) bands (ev): -55.7849 -55.7849 -28.7115 -28.7115 -20.1322 -20.1322 -19.9869 -19.9869 4.3586 4.3586 4.6716 4.6716 5.3725 5.3725 8.5057 8.5057 9.9639 9.9639 10.1164 10.1164 10.9480 10.9480 12.9281 12.9281 13.3253 13.3253 13.7197 13.7197 15.2618 15.2618 k =-0.2220 0.3490 0.7064 ( 2112 PWs) bands (ev): -55.7849 -55.7849 -28.7114 -28.7114 -20.1315 -20.1315 -19.9867 -19.9867 4.3271 4.3271 4.6496 4.6496 5.3221 5.3221 8.6143 8.6143 9.9718 9.9718 10.1415 10.1415 11.0273 11.0273 12.9623 12.9623 13.3025 13.3025 13.7706 13.7706 15.1864 15.1864 k =-0.2281 0.3585 0.6952 ( 2106 PWs) bands (ev): -55.7850 -55.7850 -28.7111 -28.7111 -20.1307 -20.1307 -19.9864 -19.9864 4.2979 4.2979 4.6289 4.6289 5.2751 5.2751 8.7207 8.7207 9.9771 9.9771 10.1653 10.1653 11.1016 11.1016 12.9985 12.9985 13.2813 13.2813 13.8284 13.8284 15.1039 15.1039 k =-0.2341 0.3680 0.6839 ( 2104 PWs) bands (ev): -55.7850 -55.7850 -28.7110 -28.7110 -20.1301 -20.1301 -19.9862 -19.9862 4.2710 4.2710 4.6097 4.6097 5.2317 5.2317 8.8243 8.8243 9.9799 9.9799 10.1876 10.1876 11.1707 11.1707 13.0340 13.0340 13.2640 13.2640 13.8930 13.8930 15.0163 15.0163 k =-0.2401 0.3775 0.6726 ( 2107 PWs) bands (ev): -55.7850 -55.7850 -28.7109 -28.7109 -20.1295 -20.1295 -19.9859 -19.9859 4.2464 4.2464 4.5918 4.5918 5.1918 5.1918 8.9244 8.9244 9.9803 9.9803 10.2083 10.2083 11.2341 11.2341 13.0638 13.0638 13.2558 13.2558 13.9638 13.9638 14.9254 14.9254 k =-0.2462 0.3870 0.6614 ( 2105 PWs) bands (ev): -55.7850 -55.7850 -28.7107 -28.7107 -20.1289 -20.1289 -19.9857 -19.9857 4.2241 4.2241 4.5755 4.5755 5.1557 5.1557 9.0203 9.0203 9.9786 9.9786 10.2274 10.2274 11.2918 11.2918 13.0804 13.0804 13.2639 13.2639 14.0404 14.0404 14.8332 14.8332 k =-0.2522 0.3965 0.6501 ( 2104 PWs) bands (ev): -55.7850 -55.7850 -28.7106 -28.7106 -20.1284 -20.1284 -19.9855 -19.9855 4.2042 4.2042 4.5608 4.5608 5.1232 5.1232 9.1113 9.1113 9.9748 9.9748 10.2446 10.2446 11.3435 11.3435 13.0804 13.0804 13.2916 13.2916 14.1220 14.1220 14.7412 14.7412 k =-0.2583 0.4060 0.6389 ( 2104 PWs) bands (ev): -55.7850 -55.7850 -28.7104 -28.7104 -20.1279 -20.1279 -19.9853 -19.9853 4.1866 4.1866 4.5476 4.5476 5.0945 5.0945 9.1966 9.1966 9.9690 9.9690 10.2601 10.2601 11.3891 11.3891 13.0689 13.0689 13.3337 13.3337 14.2073 14.2073 14.6513 14.6513 k =-0.2643 0.4155 0.6276 ( 2106 PWs) bands (ev): -55.7851 -55.7851 -28.7104 -28.7104 -20.1276 -20.1276 -19.9852 -19.9852 4.1713 4.1713 4.5361 4.5361 5.0696 5.0696 9.2752 9.2752 9.9614 9.9614 10.2736 10.2736 11.4287 11.4287 13.0521 13.0521 13.3834 13.3834 14.2940 14.2940 14.5659 14.5659 k =-0.2704 0.4250 0.6163 ( 2108 PWs) bands (ev): -55.7851 -55.7851 -28.7103 -28.7103 -20.1273 -20.1273 -19.9850 -19.9850 4.1584 4.1584 4.5263 4.5263 5.0485 5.0485 9.3460 9.3460 9.9523 9.9523 10.2851 10.2851 11.4621 11.4621 13.0342 13.0342 13.4363 13.4363 14.3736 14.3736 14.4933 14.4933 k =-0.2764 0.4345 0.6051 ( 2114 PWs) bands (ev): -55.7851 -55.7851 -28.7103 -28.7103 -20.1271 -20.1271 -19.9850 -19.9850 4.1478 4.1478 4.5183 4.5183 5.0312 5.0312 9.4080 9.4080 9.9422 9.9422 10.2946 10.2946 11.4893 11.4893 13.0173 13.0173 13.4891 13.4891 14.3803 14.3803 14.4987 14.4987 k =-0.2824 0.4440 0.5938 ( 2112 PWs) bands (ev): -55.7851 -55.7851 -28.7102 -28.7102 -20.1268 -20.1268 -19.9849 -19.9849 4.1395 4.1395 4.5120 4.5120 5.0178 5.0178 9.4594 9.4594 9.9318 9.9318 10.3020 10.3020 11.5105 11.5105 13.0029 13.0029 13.5384 13.5384 14.3230 14.3230 14.5717 14.5717 k =-0.2885 0.4535 0.5826 ( 2111 PWs) bands (ev): -55.7851 -55.7851 -28.7102 -28.7102 -20.1267 -20.1267 -19.9848 -19.9848 4.1337 4.1337 4.5074 4.5074 5.0081 5.0081 9.4986 9.4986 9.9225 9.9225 10.3073 10.3073 11.5256 11.5256 12.9920 12.9920 13.5801 13.5801 14.2709 14.2709 14.6409 14.6409 k =-0.2945 0.4630 0.5713 ( 2109 PWs) bands (ev): -55.7851 -55.7851 -28.7101 -28.7101 -20.1265 -20.1265 -19.9847 -19.9847 4.1301 4.1301 4.5047 4.5047 5.0024 5.0024 9.5234 9.5234 9.9159 9.9159 10.3106 10.3106 11.5346 11.5346 12.9852 12.9852 13.6088 13.6088 14.2354 14.2354 14.6904 14.6904 k =-0.3006 0.4725 0.5600 ( 2104 PWs) bands (ev): -55.7851 -55.7851 -28.7101 -28.7101 -20.1265 -20.1265 -19.9847 -19.9847 4.1289 4.1289 4.5038 4.5038 5.0005 5.0005 9.5319 9.5319 9.9134 9.9134 10.3117 10.3117 11.5376 11.5376 12.9829 12.9829 13.6191 13.6191 14.2228 14.2228 14.7087 14.7087 k =-0.3006 0.4725 0.5600 ( 2104 PWs) bands (ev): -55.7851 -55.7851 -28.7101 -28.7101 -20.1265 -20.1265 -19.9847 -19.9847 4.1289 4.1289 4.5038 4.5038 5.0005 5.0005 9.5319 9.5319 9.9134 9.9134 10.3117 10.3117 11.5376 11.5376 12.9829 12.9829 13.6191 13.6191 14.2228 14.2228 14.7087 14.7087 k =-0.2946 0.4631 0.5488 ( 2106 PWs) bands (ev): -55.7851 -55.7851 -28.7102 -28.7102 -20.1272 -20.1272 -19.9846 -19.9846 4.1947 4.1947 4.4049 4.4049 5.0757 5.0757 9.5228 9.5228 9.9013 9.9013 10.2731 10.2731 11.4975 11.4975 13.0366 13.0366 13.7000 13.7000 14.2161 14.2161 14.6099 14.6099 k =-0.2886 0.4536 0.5376 ( 2110 PWs) bands (ev): -55.7851 -55.7851 -28.7104 -28.7104 -20.1279 -20.1279 -19.9845 -19.9845 4.2165 4.2165 4.3399 4.3399 5.1669 5.1669 9.5159 9.5159 9.8833 9.8833 10.2360 10.2360 11.4543 11.4543 13.0904 13.0904 13.7826 13.7826 14.2107 14.2107 14.5163 14.5163 k =-0.2825 0.4442 0.5264 ( 2110 PWs) bands (ev): -55.7851 -55.7851 -28.7104 -28.7104 -20.1285 -20.1285 -19.9844 -19.9844 4.1262 4.1262 4.3848 4.3848 5.2661 5.2661 9.5112 9.5112 9.8597 9.8597 10.2002 10.2002 11.4083 11.4083 13.1434 13.1434 13.8668 13.8668 14.2036 14.2036 14.4296 14.4296 k =-0.2765 0.4347 0.5152 ( 2108 PWs) bands (ev): -55.7851 -55.7851 -28.7105 -28.7105 -20.1290 -20.1290 -19.9843 -19.9843 4.0074 4.0074 4.4592 4.4592 5.3703 5.3703 9.5088 9.5088 9.8306 9.8306 10.1657 10.1657 11.3597 11.3597 13.1946 13.1946 13.9527 13.9527 14.1894 14.1894 14.3546 14.3546 k =-0.2705 0.4253 0.5040 ( 2108 PWs) bands (ev): -55.7850 -55.7850 -28.7105 -28.7105 -20.1294 -20.1294 -19.9841 -19.9841 3.8846 3.8846 4.5398 4.5398 5.4779 5.4779 9.5087 9.5087 9.7964 9.7964 10.1325 10.1325 11.3087 11.3087 13.2420 13.2420 14.0399 14.0399 14.1582 14.1582 14.3007 14.3007 k =-0.2645 0.4158 0.4928 ( 2110 PWs) bands (ev): -55.7850 -55.7850 -28.7106 -28.7106 -20.1297 -20.1297 -19.9840 -19.9840 3.7616 3.7616 4.6236 4.6236 5.5882 5.5882 9.5108 9.5108 9.7575 9.7575 10.1006 10.1006 11.2556 11.2556 13.2831 13.2831 14.1043 14.1043 14.1287 14.1287 14.2740 14.2740 k =-0.2585 0.4064 0.4816 ( 2110 PWs) bands (ev): -55.7850 -55.7850 -28.7106 -28.7106 -20.1298 -20.1298 -19.9839 -19.9839 3.6394 3.6394 4.7099 4.7099 5.7008 5.7008 9.5147 9.5147 9.7148 9.7148 10.0699 10.0699 11.2007 11.2007 13.3143 13.3143 14.0398 14.0398 14.2136 14.2136 14.2699 14.2699 k =-0.2525 0.3969 0.4704 ( 2106 PWs) bands (ev): -55.7850 -55.7850 -28.7106 -28.7106 -20.1299 -20.1299 -19.9838 -19.9838 3.5187 3.5187 4.7984 4.7984 5.8152 5.8152 9.5198 9.5198 9.6693 9.6693 10.0404 10.0404 11.1442 11.1442 13.3318 13.3318 13.9715 13.9715 14.2589 14.2589 14.3200 14.3200 k =-0.2465 0.3875 0.4592 ( 2108 PWs) bands (ev): -55.7850 -55.7850 -28.7106 -28.7106 -20.1299 -20.1299 -19.9837 -19.9837 3.3996 3.3996 4.8890 4.8890 5.9313 5.9313 9.5233 9.5233 9.6245 9.6245 10.0120 10.0120 11.0865 11.0865 13.3325 13.3325 13.9032 13.9032 14.2798 14.2798 14.4089 14.4089 k =-0.2405 0.3780 0.4480 ( 2098 PWs) bands (ev): -55.7850 -55.7850 -28.7104 -28.7104 -20.1297 -20.1297 -19.9835 -19.9835 3.2825 3.2825 4.9816 4.9816 6.0487 6.0487 9.5139 9.5139 9.5918 9.5918 9.9846 9.9846 11.0278 11.0278 13.3148 13.3148 13.8361 13.8361 14.3126 14.3126 14.5015 14.5015 k =-0.2344 0.3686 0.4368 ( 2098 PWs) bands (ev): -55.7850 -55.7850 -28.7104 -28.7104 -20.1295 -20.1295 -19.9834 -19.9834 3.1673 3.1673 5.0761 5.0761 6.1674 6.1674 9.4765 9.4765 9.5870 9.5870 9.9583 9.9583 10.9683 10.9683 13.2795 13.2795 13.7705 13.7705 14.3601 14.3601 14.5953 14.5953 k =-0.2284 0.3591 0.4256 ( 2094 PWs) bands (ev): -55.7850 -55.7850 -28.7103 -28.7103 -20.1291 -20.1291 -19.9832 -19.9832 3.0543 3.0543 5.1725 5.1725 6.2870 6.2870 9.4229 9.4229 9.5987 9.5987 9.9330 9.9330 10.9083 10.9083 13.2289 13.2289 13.7071 13.7071 14.4212 14.4212 14.6895 14.6895 k =-0.2224 0.3497 0.4144 ( 2090 PWs) bands (ev): -55.7850 -55.7850 -28.7102 -28.7102 -20.1287 -20.1287 -19.9831 -19.9831 2.9435 2.9435 5.2707 5.2707 6.4073 6.4073 9.3634 9.3634 9.6170 9.6170 9.9087 9.9087 10.8480 10.8480 13.1664 13.1664 13.6465 13.6465 14.4936 14.4936 14.7838 14.7838 k =-0.2164 0.3402 0.4032 ( 2086 PWs) bands (ev): -55.7850 -55.7850 -28.7100 -28.7100 -20.1281 -20.1281 -19.9829 -19.9829 2.8351 2.8351 5.3707 5.3707 6.5282 6.5282 9.3009 9.3009 9.6392 9.6392 9.8853 9.8853 10.7877 10.7877 13.0950 13.0950 13.5894 13.5894 14.5750 14.5750 14.8774 14.8774 k =-0.2104 0.3308 0.3920 ( 2090 PWs) bands (ev): -55.7850 -55.7850 -28.7099 -28.7099 -20.1275 -20.1275 -19.9829 -19.9829 2.7289 2.7289 5.4724 5.4724 6.6494 6.6494 9.2365 9.2365 9.6645 9.6645 9.8631 9.8631 10.7276 10.7276 13.0176 13.0176 13.5364 13.5364 14.6629 14.6629 14.9698 14.9698 k =-0.2044 0.3213 0.3808 ( 2086 PWs) bands (ev): -55.7850 -55.7850 -28.7098 -28.7098 -20.1268 -20.1268 -19.9827 -19.9827 2.6252 2.6252 5.5757 5.5757 6.7706 6.7706 9.1710 9.1710 9.6921 9.6921 9.8423 9.8423 10.6678 10.6678 12.9365 12.9365 13.4878 13.4878 14.7555 14.7555 15.0602 15.0602 k =-0.1984 0.3119 0.3696 ( 2086 PWs) bands (ev): -55.7851 -55.7851 -28.7096 -28.7096 -20.1260 -20.1260 -19.9826 -19.9826 2.5240 2.5240 5.6807 5.6807 6.8917 6.8917 9.1047 9.1047 9.7207 9.7207 9.8239 9.8239 10.6086 10.6086 12.8538 12.8538 13.4438 13.4438 14.8510 14.8510 15.1475 15.1475 k =-0.1924 0.3024 0.3584 ( 2084 PWs) bands (ev): -55.7851 -55.7851 -28.7094 -28.7094 -20.1251 -20.1251 -19.9825 -19.9825 2.4253 2.4253 5.7872 5.7872 7.0122 7.0122 9.0380 9.0380 9.7459 9.7459 9.8125 9.8125 10.5501 10.5501 12.7711 12.7711 13.4044 13.4044 14.9479 14.9479 15.2305 15.2305 k =-0.1864 0.2930 0.3472 ( 2092 PWs) bands (ev): -55.7851 -55.7851 -28.7093 -28.7093 -20.1243 -20.1243 -19.9824 -19.9824 2.3292 2.3292 5.8951 5.8951 7.1319 7.1319 8.9712 8.9712 9.7536 9.7536 9.8219 9.8219 10.4925 10.4925 12.6899 12.6899 13.3695 13.3695 15.0450 15.0450 15.3074 15.3074 k =-0.1803 0.2835 0.3360 ( 2094 PWs) bands (ev): -55.7852 -55.7852 -28.7092 -28.7092 -20.1233 -20.1233 -19.9823 -19.9823 2.2356 2.2356 6.0045 6.0045 7.2505 7.2505 8.9046 8.9046 9.7428 9.7428 9.8529 9.8529 10.4360 10.4360 12.6114 12.6114 13.3393 13.3393 15.1410 15.1410 15.3762 15.3762 k =-0.1743 0.2741 0.3248 ( 2090 PWs) bands (ev): -55.7852 -55.7852 -28.7089 -28.7089 -20.1222 -20.1222 -19.9822 -19.9822 2.1448 2.1448 6.1151 6.1151 7.3676 7.3676 8.8385 8.8385 9.7266 9.7266 9.8924 9.8924 10.3808 10.3808 12.5367 12.5367 13.3135 13.3135 15.2346 15.2346 15.4344 15.4344 k =-0.1683 0.2646 0.3136 ( 2093 PWs) bands (ev): -55.7852 -55.7852 -28.7088 -28.7088 -20.1210 -20.1210 -19.9821 -19.9821 2.0566 2.0566 6.2270 6.2270 7.4827 7.4827 8.7729 8.7729 9.7090 9.7090 9.9360 9.9360 10.3273 10.3273 12.4665 12.4665 13.2921 13.2921 15.3242 15.3242 15.4793 15.4793 k =-0.1623 0.2552 0.3024 ( 2095 PWs) bands (ev): -55.7852 -55.7852 -28.7086 -28.7086 -20.1199 -20.1199 -19.9819 -19.9819 1.9711 1.9711 6.3400 6.3400 7.5956 7.5956 8.7083 8.7083 9.6913 9.6913 9.9820 9.9820 10.2761 10.2761 12.4017 12.4017 13.2750 13.2750 15.4060 15.4060 15.5102 15.5102 k =-0.1563 0.2457 0.2912 ( 2091 PWs) bands (ev): -55.7853 -55.7853 -28.7083 -28.7083 -20.1187 -20.1187 -19.9817 -19.9817 1.8884 1.8884 6.4539 6.4539 7.7056 7.7056 8.6446 8.6446 9.6737 9.6737 10.0285 10.0285 10.2288 10.2288 12.3431 12.3431 13.2622 13.2622 15.4640 15.4640 15.5391 15.5391 k =-0.1503 0.2363 0.2800 ( 2087 PWs) bands (ev): -55.7853 -55.7853 -28.7080 -28.7080 -20.1174 -20.1174 -19.9816 -19.9816 1.8085 1.8085 6.5688 6.5688 7.8123 7.8123 8.5823 8.5823 9.6563 9.6563 10.0690 10.0690 10.1920 10.1920 12.2913 12.2913 13.2535 13.2535 15.4675 15.4675 15.5935 15.5935 k =-0.1443 0.2268 0.2688 ( 2087 PWs) bands (ev): -55.7853 -55.7853 -28.7078 -28.7078 -20.1161 -20.1161 -19.9814 -19.9814 1.7314 1.7314 6.6843 6.6843 7.9152 7.9152 8.5213 8.5213 9.6393 9.6393 10.0787 10.0787 10.1903 10.1903 12.2468 12.2468 13.2488 13.2488 15.4324 15.4324 15.6543 15.6543 k =-0.1383 0.2174 0.2576 ( 2087 PWs) bands (ev): -55.7853 -55.7853 -28.7075 -28.7075 -20.1149 -20.1149 -19.9812 -19.9812 1.6572 1.6572 6.8004 6.8004 8.0137 8.0137 8.4621 8.4621 9.6228 9.6228 10.0501 10.0501 10.2313 10.2313 12.2102 12.2102 13.2480 13.2480 15.3735 15.3735 15.6984 15.6984 k =-0.1323 0.2079 0.2464 ( 2091 PWs) bands (ev): -55.7854 -55.7854 -28.7073 -28.7073 -20.1136 -20.1136 -19.9811 -19.9811 1.5859 1.5859 6.9168 6.9168 8.1070 8.1070 8.4050 8.4050 9.6066 9.6066 10.0103 10.0103 10.2878 10.2878 12.1820 12.1820 13.2509 13.2509 15.2962 15.2962 15.6885 15.6885 k =-0.1262 0.1985 0.2352 ( 2087 PWs) bands (ev): -55.7854 -55.7854 -28.7070 -28.7070 -20.1123 -20.1123 -19.9809 -19.9809 1.5175 1.5175 7.0334 7.0334 8.1932 8.1932 8.3517 8.3517 9.5911 9.5911 9.9690 9.9690 10.3503 10.3503 12.1626 12.1626 13.2573 13.2573 15.2047 15.2047 15.5979 15.5979 k =-0.1202 0.1890 0.2240 ( 2083 PWs) bands (ev): -55.7854 -55.7854 -28.7068 -28.7068 -20.1110 -20.1110 -19.9807 -19.9807 1.4521 1.4521 7.1499 7.1499 8.2560 8.2560 8.3180 8.3180 9.5761 9.5761 9.9281 9.9281 10.4167 10.4167 12.1523 12.1523 13.2671 13.2671 15.1025 15.1025 15.4700 15.4700 k =-0.1142 0.1796 0.2128 ( 2079 PWs) bands (ev): -55.7854 -55.7854 -28.7065 -28.7065 -20.1096 -20.1096 -19.9805 -19.9805 1.3897 1.3897 7.2660 7.2660 8.2311 8.2311 8.3682 8.3682 9.5617 9.5617 9.8885 9.8885 10.4863 10.4863 12.1511 12.1511 13.2801 13.2801 14.9924 14.9924 15.3311 15.3311 k =-0.1082 0.1701 0.2016 ( 2075 PWs) bands (ev): -55.7855 -55.7855 -28.7062 -28.7062 -20.1083 -20.1083 -19.9802 -19.9802 1.3302 1.3302 7.3813 7.3813 8.1842 8.1842 8.4363 8.4363 9.5480 9.5480 9.8505 9.8505 10.5586 10.5586 12.1592 12.1592 13.2959 13.2959 14.8767 14.8767 15.1885 15.1885 k =-0.1022 0.1607 0.1904 ( 2073 PWs) bands (ev): -55.7855 -55.7855 -28.7059 -28.7059 -20.1071 -20.1071 -19.9801 -19.9801 1.2739 1.2739 7.4955 7.4955 8.1373 8.1373 8.5004 8.5004 9.5352 9.5352 9.8143 9.8143 10.6336 10.6336 12.1764 12.1764 13.3143 13.3143 14.7571 14.7571 15.0450 15.0450 k =-0.0962 0.1512 0.1792 ( 2073 PWs) bands (ev): -55.7855 -55.7855 -28.7057 -28.7057 -20.1059 -20.1059 -19.9799 -19.9799 1.2206 1.2206 7.6081 7.6081 8.0922 8.0922 8.5588 8.5588 9.5232 9.5232 9.7799 9.7799 10.7110 10.7110 12.2023 12.2023 13.3349 13.3349 14.6351 14.6351 14.9019 14.9019 k =-0.0902 0.1418 0.1680 ( 2069 PWs) bands (ev): -55.7855 -55.7855 -28.7054 -28.7054 -20.1047 -20.1047 -19.9797 -19.9797 1.1704 1.1704 7.7184 7.7184 8.0497 8.0497 8.6110 8.6110 9.5122 9.5122 9.7475 9.7475 10.7908 10.7908 12.2365 12.2365 13.3575 13.3575 14.5118 14.5118 14.7605 14.7605 k =-0.0842 0.1323 0.1568 ( 2073 PWs) bands (ev): -55.7856 -55.7856 -28.7052 -28.7052 -20.1036 -20.1036 -19.9795 -19.9795 1.1233 1.1233 7.8249 7.8249 8.0107 8.0107 8.6573 8.6573 9.5023 9.5023 9.7171 9.7171 10.8727 10.8727 12.2782 12.2782 13.3815 13.3815 14.3881 14.3881 14.6216 14.6216 k =-0.0781 0.1229 0.1456 ( 2081 PWs) bands (ev): -55.7856 -55.7856 -28.7051 -28.7051 -20.1026 -20.1026 -19.9794 -19.9794 1.0793 1.0793 7.9180 7.9180 7.9847 7.9847 8.6978 8.6978 9.4936 9.4936 9.6887 9.6887 10.9567 10.9567 12.3265 12.3265 13.4063 13.4063 14.2650 14.2650 14.4861 14.4861 k =-0.0721 0.1134 0.1344 ( 2081 PWs) bands (ev): -55.7857 -55.7857 -28.7049 -28.7049 -20.1016 -20.1016 -19.9792 -19.9792 1.0385 1.0385 7.9237 7.9237 8.0449 8.0449 8.7328 8.7328 9.4863 9.4863 9.6626 9.6626 11.0425 11.0425 12.3801 12.3801 13.4311 13.4311 14.1435 14.1435 14.3551 14.3551 k =-0.0661 0.1040 0.1232 ( 2085 PWs) bands (ev): -55.7857 -55.7857 -28.7048 -28.7048 -20.1007 -20.1007 -19.9791 -19.9791 1.0009 1.0009 7.8942 7.8942 8.1384 8.1384 8.7628 8.7628 9.4804 9.4804 9.6386 9.6386 11.1298 11.1298 12.4377 12.4377 13.4547 13.4547 14.0250 14.0250 14.2296 14.2296 k =-0.0601 0.0945 0.1120 ( 2085 PWs) bands (ev): -55.7857 -55.7857 -28.7046 -28.7046 -20.0998 -20.0998 -19.9789 -19.9789 0.9666 0.9666 7.8646 7.8646 8.2295 8.2295 8.7883 8.7883 9.4760 9.4760 9.6169 9.6169 11.2185 11.2185 12.4977 12.4977 13.4748 13.4748 13.9119 13.9119 14.1108 14.1108 k =-0.0541 0.0851 0.1008 ( 2083 PWs) bands (ev): -55.7857 -55.7857 -28.7044 -28.7044 -20.0990 -20.0990 -19.9787 -19.9787 0.9354 0.9354 7.8372 7.8372 8.3151 8.3151 8.8096 8.8096 9.4731 9.4731 9.5975 9.5975 11.3080 11.3080 12.5581 12.5581 13.4868 13.4868 13.8088 13.8088 14.0003 14.0003 k =-0.0481 0.0756 0.0896 ( 2087 PWs) bands (ev): -55.7858 -55.7858 -28.7043 -28.7043 -20.0983 -20.0983 -19.9786 -19.9786 0.9075 0.9075 7.8123 7.8123 8.3940 8.3940 8.8272 8.8272 9.4717 9.4717 9.5807 9.5807 11.3979 11.3979 12.6165 12.6165 13.4809 13.4809 13.7251 13.7251 13.9003 13.9003 k =-0.0421 0.0662 0.0784 ( 2087 PWs) bands (ev): -55.7858 -55.7858 -28.7042 -28.7042 -20.0977 -20.0977 -19.9784 -19.9784 0.8828 0.8828 7.7901 7.7901 8.4653 8.4653 8.8417 8.8417 9.4716 9.4716 9.5666 9.5666 11.4874 11.4874 12.6703 12.6703 13.4443 13.4443 13.6713 13.6713 13.8154 13.8154 k =-0.0361 0.0567 0.0672 ( 2083 PWs) bands (ev): -55.7858 -55.7858 -28.7040 -28.7040 -20.0971 -20.0971 -19.9783 -19.9783 0.8614 0.8614 7.7708 7.7708 8.5282 8.5282 8.8533 8.8533 9.4722 9.4722 9.5553 9.5553 11.5754 11.5754 12.7159 12.7159 13.3819 13.3819 13.6348 13.6348 13.7569 13.7569 k =-0.0301 0.0473 0.0560 ( 2079 PWs) bands (ev): -55.7858 -55.7858 -28.7038 -28.7038 -20.0966 -20.0966 -19.9781 -19.9781 0.8432 0.8432 7.7544 7.7544 8.5819 8.5819 8.8624 8.8624 9.4732 9.4732 9.5471 9.5471 11.6604 11.6604 12.7493 12.7493 13.3143 13.3143 13.5893 13.5893 13.7346 13.7346 k =-0.0240 0.0378 0.0448 ( 2081 PWs) bands (ev): -55.7858 -55.7858 -28.7038 -28.7038 -20.0962 -20.0962 -19.9781 -19.9781 0.8284 0.8284 7.7409 7.7409 8.6262 8.6262 8.8695 8.8695 9.4738 9.4738 9.5420 9.5420 11.7402 11.7402 12.7663 12.7663 13.2567 13.2567 13.5384 13.5384 13.7348 13.7348 k =-0.0180 0.0284 0.0336 ( 2079 PWs) bands (ev): -55.7858 -55.7858 -28.7037 -28.7037 -20.0959 -20.0959 -19.9780 -19.9780 0.8168 0.8168 7.7304 7.7304 8.6606 8.6606 8.8747 8.8747 9.4739 9.4739 9.5396 9.5396 11.8114 11.8114 12.7658 12.7658 13.2165 13.2165 13.4935 13.4935 13.7419 13.7419 k =-0.0120 0.0189 0.0224 ( 2083 PWs) bands (ev): -55.7858 -55.7858 -28.7037 -28.7037 -20.0956 -20.0956 -19.9780 -19.9780 0.8085 0.8085 7.7228 7.7228 8.6852 8.6852 8.8782 8.8782 9.4735 9.4735 9.5390 9.5390 11.8693 11.8693 12.7526 12.7526 13.1940 13.1940 13.4596 13.4596 13.7495 13.7495 k =-0.0060 0.0095 0.0112 ( 2077 PWs) bands (ev): -55.7858 -55.7858 -28.7036 -28.7036 -20.0954 -20.0954 -19.9779 -19.9779 0.8036 0.8036 7.7183 7.7183 8.6999 8.6999 8.8803 8.8803 9.4730 9.4730 9.5391 9.5391 11.9079 11.9079 12.7374 12.7374 13.1841 13.1841 13.4387 13.4387 13.7548 13.7548 k = 0.0000 0.0000 0.0000 ( 2073 PWs) bands (ev): -55.7858 -55.7858 -28.7036 -28.7036 -20.0953 -20.0953 -19.9779 -19.9779 0.8019 0.8019 7.7168 7.7168 8.7048 8.7048 8.8810 8.8810 9.4728 9.4728 9.5393 9.5393 11.9216 11.9216 12.7309 12.7309 13.1815 13.1815 13.4316 13.4316 13.7567 13.7567 k = 0.0000 0.0000 0.0000 ( 2073 PWs) bands (ev): -55.7858 -55.7858 -28.7036 -28.7036 -20.0953 -20.0953 -19.9779 -19.9779 0.8019 0.8019 7.7168 7.7168 8.7048 8.7048 8.8810 8.8810 9.4728 9.4728 9.5393 9.5393 11.9216 11.9216 12.7309 12.7309 13.1815 13.1815 13.4316 13.4316 13.7567 13.7567 k = 0.0135 0.0086 0.0000 ( 2073 PWs) bands (ev): -55.7858 -55.7858 -28.7036 -28.7036 -20.0953 -20.0953 -19.9779 -19.9779 0.8036 0.8036 7.6918 7.6918 8.7299 8.7299 8.8797 8.8797 9.4738 9.4738 9.5403 9.5403 11.9219 11.9219 12.7292 12.7292 13.1799 13.1799 13.4354 13.4354 13.7458 13.7458 k = 0.0270 0.0172 0.0000 ( 2065 PWs) bands (ev): -55.7858 -55.7858 -28.7035 -28.7035 -20.0953 -20.0953 -19.9778 -19.9778 0.8087 0.8087 7.6232 7.6232 8.7989 8.7989 8.8759 8.8759 9.4766 9.4766 9.5434 9.5434 11.9228 11.9228 12.7244 12.7244 13.1751 13.1751 13.4466 13.4466 13.7142 13.7142 k = 0.0405 0.0258 0.0000 ( 2069 PWs) bands (ev): -55.7858 -55.7858 -28.7035 -28.7035 -20.0954 -20.0954 -19.9779 -19.9779 0.8171 0.8171 7.5242 7.5242 8.8697 8.8697 8.8983 8.8983 9.4815 9.4815 9.5485 9.5485 11.9243 11.9243 12.7162 12.7162 13.1671 13.1671 13.4653 13.4653 13.6644 13.6644 k = 0.0541 0.0344 0.0000 ( 2093 PWs) bands (ev): -55.7859 -55.7859 -28.7038 -28.7038 -20.0955 -20.0955 -19.9782 -19.9782 0.8289 0.8289 7.4063 7.4063 8.8611 8.8611 9.0164 9.0164 9.4883 9.4883 9.5556 9.5556 11.9264 11.9264 12.7048 12.7048 13.1558 13.1558 13.4913 13.4913 13.6000 13.6000 k = 0.0676 0.0430 0.0000 ( 2093 PWs) bands (ev): -55.7859 -55.7859 -28.7038 -28.7038 -20.0956 -20.0956 -19.9783 -19.9783 0.8440 0.8440 7.2769 7.2769 8.8502 8.8502 9.1452 9.1452 9.4974 9.4974 9.5647 9.5647 11.9291 11.9291 12.6903 12.6903 13.1413 13.1413 13.5246 13.5246 13.5249 13.5249 k = 0.0811 0.0516 0.0000 ( 2093 PWs) bands (ev): -55.7859 -55.7859 -28.7038 -28.7038 -20.0956 -20.0956 -19.9784 -19.9784 0.8625 0.8625 7.1406 7.1406 8.8373 8.8373 9.2792 9.2792 9.5095 9.5095 9.5759 9.5759 11.9323 11.9323 12.6727 12.6727 13.1236 13.1236 13.4428 13.4428 13.5649 13.5649 k = 0.0946 0.0602 0.0000 ( 2101 PWs) bands (ev): -55.7859 -55.7859 -28.7039 -28.7039 -20.0956 -20.0956 -19.9787 -19.9787 0.8843 0.8843 7.0000 7.0000 8.8223 8.8223 9.4113 9.4113 9.5286 9.5286 9.5891 9.5891 11.9361 11.9361 12.6523 12.6523 13.1026 13.1026 13.3568 13.3568 13.6121 13.6121 k = 0.1081 0.0688 0.0000 ( 2101 PWs) bands (ev): -55.7859 -55.7859 -28.7039 -28.7039 -20.0956 -20.0956 -19.9788 -19.9788 0.9095 0.9095 6.8568 6.8568 8.8055 8.8055 9.5043 9.5043 9.5894 9.5894 9.6043 9.6043 11.9404 11.9404 12.6291 12.6291 13.0784 13.0784 13.2698 13.2698 13.6660 13.6660 k = 0.1216 0.0774 0.0000 ( 2109 PWs) bands (ev): -55.7859 -55.7859 -28.7040 -28.7040 -20.0957 -20.0957 -19.9790 -19.9790 0.9379 0.9379 6.7121 6.7121 8.7872 8.7872 9.5344 9.5344 9.6215 9.6215 9.7142 9.7142 11.9452 11.9452 12.6038 12.6038 13.0509 13.0509 13.1840 13.1840 13.7263 13.7263 k = 0.1351 0.0860 0.0000 ( 2109 PWs) bands (ev): -55.7859 -55.7859 -28.7041 -28.7041 -20.0958 -20.0958 -19.9792 -19.9792 0.9697 0.9697 6.5665 6.5665 8.7674 8.7674 9.5545 9.5545 9.6406 9.6406 9.8481 9.8481 11.9504 11.9504 12.5768 12.5768 13.0203 13.0203 13.1013 13.1013 13.7929 13.7929 k = 0.1486 0.0946 0.0000 ( 2109 PWs) bands (ev): -55.7859 -55.7859 -28.7041 -28.7041 -20.0958 -20.0958 -19.9794 -19.9794 1.0047 1.0047 6.4205 6.4205 8.7464 8.7464 9.5742 9.5742 9.6617 9.6617 9.9799 9.9799 11.9560 11.9560 12.5490 12.5490 12.9865 12.9865 13.0234 13.0234 13.8654 13.8654 k = 0.1622 0.1031 0.0000 ( 2101 PWs) bands (ev): -55.7859 -55.7859 -28.7040 -28.7040 -20.0957 -20.0957 -19.9796 -19.9796 1.0430 1.0430 6.2745 6.2745 8.7245 8.7245 9.5949 9.5949 9.6846 9.6846 10.1065 10.1065 11.9620 11.9620 12.5212 12.5212 12.9498 12.9498 12.9517 12.9517 13.9437 13.9437 k = 0.1757 0.1117 0.0000 ( 2101 PWs) bands (ev): -55.7859 -55.7859 -28.7040 -28.7040 -20.0958 -20.0958 -19.9798 -19.9798 1.0846 1.0846 6.1287 6.1287 8.7017 8.7017 9.6168 9.6168 9.7094 9.7094 10.2255 10.2255 11.9683 11.9683 12.4945 12.4945 12.8877 12.8877 12.9101 12.9101 14.0275 14.0275 k = 0.1892 0.1203 0.0000 ( 2093 PWs) bands (ev): -55.7859 -55.7859 -28.7040 -28.7040 -20.0957 -20.0957 -19.9800 -19.9800 1.1293 1.1293 5.9834 5.9834 8.6784 8.6784 9.6401 9.6401 9.7360 9.7360 10.3346 10.3346 11.9748 11.9748 12.4694 12.4694 12.8337 12.8337 12.8678 12.8678 14.1166 14.1166 k = 0.2027 0.1289 0.0000 ( 2101 PWs) bands (ev): -55.7859 -55.7859 -28.7041 -28.7041 -20.0958 -20.0958 -19.9803 -19.9803 1.1773 1.1773 5.8387 5.8387 8.6546 8.6546 9.6647 9.6647 9.7643 9.7643 10.4316 10.4316 11.9814 11.9814 12.4452 12.4452 12.7927 12.7927 12.8229 12.8229 14.2107 14.2107 k = 0.2162 0.1375 0.0000 ( 2101 PWs) bands (ev): -55.7859 -55.7859 -28.7041 -28.7041 -20.0958 -20.0958 -19.9805 -19.9805 1.2285 1.2285 5.6948 5.6948 8.6307 8.6307 9.6906 9.6906 9.7943 9.7943 10.5145 10.5145 11.9881 11.9881 12.4201 12.4201 12.7690 12.7690 12.7757 12.7757 14.3095 14.3095 k = 0.2297 0.1461 0.0000 ( 2097 PWs) bands (ev): -55.7859 -55.7859 -28.7041 -28.7041 -20.0959 -20.0959 -19.9807 -19.9807 1.2827 1.2827 5.5517 5.5517 8.6068 8.6068 9.7177 9.7177 9.8258 9.8258 10.5816 10.5816 11.9947 11.9947 12.3911 12.3911 12.7264 12.7264 12.7674 12.7674 14.4129 14.4129 k = 0.2432 0.1547 0.0000 ( 2105 PWs) bands (ev): -55.7859 -55.7859 -28.7042 -28.7042 -20.0959 -20.0959 -19.9810 -19.9810 1.3401 1.3401 5.4094 5.4094 8.5831 8.5831 9.7461 9.7461 9.8589 9.8589 10.6324 10.6324 12.0010 12.0010 12.3564 12.3564 12.6755 12.6755 12.7906 12.7906 14.5207 14.5207 k = 0.2568 0.1633 0.0000 ( 2109 PWs) bands (ev): -55.7859 -55.7859 -28.7042 -28.7042 -20.0960 -20.0960 -19.9813 -19.9813 1.4006 1.4006 5.2683 5.2683 8.5597 8.5597 9.7755 9.7755 9.8933 9.8933 10.6670 10.6670 12.0071 12.0071 12.3159 12.3159 12.6232 12.6232 12.8388 12.8388 14.6326 14.6326 k = 0.2703 0.1719 0.0000 ( 2105 PWs) bands (ev): -55.7859 -55.7859 -28.7042 -28.7042 -20.0960 -20.0960 -19.9815 -19.9815 1.4641 1.4641 5.1283 5.1283 8.5368 8.5368 9.8058 9.8058 9.9289 9.9289 10.6867 10.6867 12.0125 12.0125 12.2709 12.2709 12.5701 12.5701 12.9093 12.9093 14.7484 14.7484 k = 0.2838 0.1805 0.0000 ( 2093 PWs) bands (ev): -55.7858 -55.7858 -28.7041 -28.7041 -20.0959 -20.0959 -19.9817 -19.9817 1.5307 1.5307 4.9894 4.9894 8.5145 8.5145 9.8370 9.8370 9.9657 9.9657 10.6935 10.6935 12.0172 12.0172 12.2228 12.2228 12.5166 12.5166 12.9990 12.9990 14.8679 14.8679 k = 0.2973 0.1891 0.0000 ( 2093 PWs) bands (ev): -55.7858 -55.7858 -28.7042 -28.7042 -20.0959 -20.0959 -19.9819 -19.9819 1.6002 1.6002 4.8519 4.8519 8.4929 8.4929 9.8689 9.8689 10.0035 10.0035 10.6898 10.6898 12.0206 12.0206 12.1730 12.1730 12.4635 12.4635 13.1041 13.1041 14.9908 14.9908 k = 0.3108 0.1977 0.0000 ( 2089 PWs) bands (ev): -55.7858 -55.7858 -28.7041 -28.7041 -20.0959 -20.0959 -19.9821 -19.9821 1.6727 1.6727 4.7156 4.7156 8.4723 8.4723 9.9013 9.9013 10.0420 10.0420 10.6780 10.6780 12.0222 12.0222 12.1222 12.1222 12.4115 12.4115 13.2213 13.2213 15.1171 15.1171 k = 0.3243 0.2063 0.0000 ( 2105 PWs) bands (ev): -55.7859 -55.7859 -28.7043 -28.7043 -20.0960 -20.0960 -19.9825 -19.9825 1.7480 1.7480 4.5807 4.5807 8.4526 8.4526 9.9339 9.9339 10.0811 10.0811 10.6603 10.6603 12.0212 12.0212 12.0713 12.0713 12.3618 12.3618 13.3476 13.3476 15.2465 15.2465 k = 0.3378 0.2149 0.0000 ( 2105 PWs) bands (ev): -55.7859 -55.7859 -28.7043 -28.7043 -20.0961 -20.0961 -19.9827 -19.9827 1.8263 1.8263 4.4473 4.4473 8.4340 8.4340 9.9666 9.9666 10.1205 10.1205 10.6387 10.6387 12.0166 12.0166 12.0209 12.0209 12.3159 12.3159 13.4802 13.4802 15.3787 15.3787 k = 0.3514 0.2235 0.0000 ( 2101 PWs) bands (ev): -55.7859 -55.7859 -28.7043 -28.7043 -20.0961 -20.0961 -19.9829 -19.9829 1.9073 1.9073 4.3155 4.3155 8.4165 8.4165 9.9991 9.9991 10.1599 10.1599 10.6147 10.6147 11.9714 11.9714 12.0071 12.0071 12.2755 12.2755 13.6167 13.6167 15.5136 15.5136 k = 0.3649 0.2321 0.0000 ( 2101 PWs) bands (ev): -55.7859 -55.7859 -28.7044 -28.7044 -20.0961 -20.0961 -19.9831 -19.9831 1.9910 1.9910 4.1852 4.1852 8.4004 8.4004 10.0312 10.0312 10.1989 10.1989 10.5897 10.5897 11.9234 11.9234 11.9912 11.9912 12.2423 12.2423 13.7547 13.7547 15.6510 15.6510 k = 0.3784 0.2407 0.0000 ( 2097 PWs) bands (ev): -55.7859 -55.7859 -28.7043 -28.7043 -20.0961 -20.0961 -19.9832 -19.9832 2.0775 2.0775 4.0567 4.0567 8.3855 8.3855 10.0623 10.0623 10.2371 10.2371 10.5647 10.5647 11.8773 11.8773 11.9686 11.9686 12.2174 12.2174 13.8920 13.8920 15.7906 15.7906 k = 0.3919 0.2493 0.0000 ( 2105 PWs) bands (ev): -55.7859 -55.7859 -28.7044 -28.7044 -20.0962 -20.0962 -19.9835 -19.9835 2.1666 2.1666 3.9298 3.9298 8.3721 8.3721 10.0922 10.0922 10.2741 10.2741 10.5406 10.5406 11.8338 11.8338 11.9403 11.9403 12.2002 12.2002 14.0263 14.0263 15.9321 15.9321 k = 0.4054 0.2579 0.0000 ( 2105 PWs) bands (ev): -55.7859 -55.7859 -28.7045 -28.7045 -20.0962 -20.0962 -19.9836 -19.9836 2.2582 2.2582 3.8049 3.8049 8.3601 8.3601 10.1204 10.1204 10.3093 10.3093 10.5181 10.5181 11.7934 11.7934 11.9084 11.9084 12.1892 12.1892 14.1552 14.1552 16.0752 16.0752 k = 0.4189 0.2665 0.0000 ( 2105 PWs) bands (ev): -55.7859 -55.7859 -28.7045 -28.7045 -20.0962 -20.0962 -19.9838 -19.9838 2.3523 2.3523 3.6819 3.6819 8.3496 8.3496 10.1464 10.1464 10.3420 10.3420 10.4977 10.4977 11.7566 11.7566 11.8755 11.8755 12.1826 12.1826 14.2763 14.2763 16.2194 16.2194 k = 0.4324 0.2751 0.0000 ( 2105 PWs) bands (ev): -55.7859 -55.7859 -28.7045 -28.7045 -20.0962 -20.0962 -19.9839 -19.9839 2.4486 2.4486 3.5611 3.5611 8.3407 8.3407 10.1696 10.1696 10.3716 10.3716 10.4798 10.4798 11.7241 11.7241 11.8440 11.8440 12.1787 12.1787 14.3866 14.3866 16.3640 16.3640 k = 0.4459 0.2837 0.0000 ( 2113 PWs) bands (ev): -55.7859 -55.7859 -28.7046 -28.7046 -20.0963 -20.0963 -19.9840 -19.9840 2.5470 2.5470 3.4426 3.4426 8.3333 8.3333 10.1897 10.1897 10.3973 10.3973 10.4647 10.4647 11.6965 11.6965 11.8156 11.8156 12.1766 12.1766 14.4832 14.4832 16.5080 16.5080 k = 0.4595 0.2923 0.0000 ( 2113 PWs) bands (ev): -55.7859 -55.7859 -28.7046 -28.7046 -20.0963 -20.0963 -19.9841 -19.9841 2.6470 2.6470 3.3270 3.3270 8.3275 8.3275 10.2059 10.2059 10.4183 10.4183 10.4527 10.4527 11.6743 11.6743 11.7919 11.7919 12.1755 12.1755 14.5630 14.5630 16.6492 16.6492 k = 0.4730 0.3009 0.0000 ( 2121 PWs) bands (ev): -55.7859 -55.7859 -28.7047 -28.7047 -20.0964 -20.0964 -19.9843 -19.9843 2.7473 2.7473 3.2156 3.2156 8.3234 8.3234 10.2180 10.2180 10.4339 10.4339 10.4440 10.4440 11.6580 11.6580 11.7741 11.7741 12.1749 12.1749 14.6227 14.6227 16.7825 16.7825 k = 0.4865 0.3094 0.0000 ( 2122 PWs) bands (ev): -55.7859 -55.7859 -28.7047 -28.7047 -20.0964 -20.0964 -19.9843 -19.9843 2.8429 2.8429 3.1134 3.1134 8.3209 8.3209 10.2253 10.2253 10.4387 10.4387 10.4436 10.4436 11.6481 11.6481 11.7630 11.7630 12.1747 12.1747 14.6598 14.6598 16.8934 16.8934 k = 0.5000 0.3180 0.0000 ( 2122 PWs) bands (ev): -55.7859 -55.7859 -28.7047 -28.7047 -20.0964 -20.0964 -19.9843 -19.9843 2.8988 2.8988 3.0552 3.0552 8.3201 8.3201 10.2278 10.2278 10.4369 10.4369 10.4468 10.4468 11.6447 11.6447 11.7593 11.7593 12.1746 12.1746 14.6723 14.6723 16.9428 16.9428 k = 0.5000 0.3180 0.0000 ( 2122 PWs) bands (ev): -55.7859 -55.7859 -28.7047 -28.7047 -20.0964 -20.0964 -19.9843 -19.9843 2.8988 2.8988 3.0552 3.0552 8.3201 8.3201 10.2278 10.2278 10.4369 10.4369 10.4468 10.4468 11.6447 11.6447 11.7593 11.7593 12.1746 12.1746 14.6723 14.6723 16.9428 16.9428 k = 0.4940 0.3275 0.0113 ( 2122 PWs) bands (ev): -55.7859 -55.7859 -28.7047 -28.7047 -20.0964 -20.0964 -19.9843 -19.9843 2.8999 2.8999 3.0571 3.0571 8.3162 8.3162 10.1986 10.1986 10.3798 10.3798 10.5325 10.5325 11.6439 11.6439 11.7585 11.7585 12.1760 12.1760 14.6767 14.6767 16.9453 16.9453 k = 0.4879 0.3370 0.0225 ( 2122 PWs) bands (ev): -55.7859 -55.7859 -28.7047 -28.7047 -20.0966 -20.0966 -19.9843 -19.9843 2.9033 2.9033 3.0626 3.0626 8.3043 8.3043 10.1252 10.1252 10.3491 10.3491 10.6348 10.6348 11.6413 11.6413 11.7564 11.7564 12.1800 12.1800 14.6897 14.6897 16.9528 16.9528 k = 0.4819 0.3465 0.0338 ( 2118 PWs) bands (ev): -55.7859 -55.7859 -28.7047 -28.7047 -20.0968 -20.0968 -19.9843 -19.9843 2.9089 2.9089 3.0719 3.0719 8.2838 8.2838 10.0356 10.0356 10.3307 10.3307 10.7407 10.7407 11.6364 11.6364 11.7536 11.7536 12.1868 12.1868 14.7111 14.7111 16.9645 16.9645 k = 0.4758 0.3560 0.0450 ( 2110 PWs) bands (ev): -55.7859 -55.7859 -28.7047 -28.7047 -20.0970 -20.0970 -19.9843 -19.9843 2.9167 2.9167 3.0849 3.0849 8.2541 8.2541 9.9447 9.9447 10.3140 10.3140 10.8462 10.8462 11.6287 11.6287 11.7507 11.7507 12.1964 12.1964 14.7405 14.7405 16.9787 16.9787 k = 0.4698 0.3655 0.0563 ( 2106 PWs) bands (ev): -55.7859 -55.7859 -28.7048 -28.7048 -20.0974 -20.0974 -19.9843 -19.9843 2.9268 2.9268 3.1016 3.1016 8.2142 8.2142 9.8588 9.8588 10.2960 10.2960 10.9493 10.9493 11.6177 11.6177 11.7486 11.7486 12.2091 12.2091 14.7770 14.7770 16.8944 16.8944 k = 0.4637 0.3750 0.0676 ( 2102 PWs) bands (ev): -55.7858 -55.7858 -28.7048 -28.7048 -20.0978 -20.0978 -19.9843 -19.9843 2.9392 2.9392 3.1218 3.1218 8.1631 8.1631 9.7810 9.7810 10.2757 10.2757 11.0480 11.0480 11.6035 11.6035 11.7482 11.7482 12.2248 12.2248 14.8198 14.8198 16.8012 16.8012 k = 0.4577 0.3845 0.0788 ( 2106 PWs) bands (ev): -55.7858 -55.7858 -28.7050 -28.7050 -20.0984 -20.0984 -19.9844 -19.9844 2.9539 2.9539 3.1457 3.1457 8.1002 8.1002 9.7134 9.7134 10.2531 10.2531 11.1401 11.1401 11.5874 11.5874 11.7497 11.7497 12.2436 12.2436 14.8675 14.8675 16.7079 16.7079 k = 0.4517 0.3940 0.0901 ( 2106 PWs) bands (ev): -55.7858 -55.7858 -28.7051 -28.7051 -20.0991 -20.0991 -19.9845 -19.9845 2.9708 2.9708 3.1731 3.1731 8.0251 8.0251 9.6571 9.6571 10.2282 10.2282 11.2218 11.2218 11.5729 11.5729 11.7533 11.7533 12.2656 12.2656 14.9184 14.9184 16.6163 16.6163 k = 0.4456 0.4035 0.1013 ( 2106 PWs) bands (ev): -55.7858 -55.7858 -28.7052 -28.7052 -20.0998 -20.0998 -19.9846 -19.9846 2.9901 2.9901 3.2041 3.2041 7.9381 7.9381 9.6125 9.6125 10.2012 10.2012 11.2859 11.2859 11.5670 11.5670 11.7591 11.7591 12.2905 12.2905 14.9702 14.9702 16.5288 16.5288 k = 0.4396 0.4130 0.1126 ( 2114 PWs) bands (ev): -55.7858 -55.7858 -28.7055 -28.7055 -20.1007 -20.1007 -19.9847 -19.9847 3.0117 3.0117 3.2386 3.2386 7.8398 7.8398 9.5795 9.5795 10.1724 10.1724 11.3212 11.3212 11.5807 11.5807 11.7676 11.7676 12.3184 12.3184 15.0199 15.0199 16.4478 16.4478 k = 0.4335 0.4225 0.1239 ( 2106 PWs) bands (ev): -55.7857 -55.7857 -28.7056 -28.7056 -20.1015 -20.1015 -19.9847 -19.9847 3.0355 3.0355 3.2765 3.2765 7.7312 7.7312 9.5572 9.5572 10.1421 10.1421 11.3232 11.3232 11.6170 11.6170 11.7803 11.7803 12.3493 12.3493 15.0638 15.0638 16.3769 16.3769 k = 0.4275 0.4320 0.1351 ( 2098 PWs) bands (ev): -55.7857 -55.7857 -28.7057 -28.7057 -20.1023 -20.1023 -19.9847 -19.9847 3.0617 3.0617 3.3179 3.3179 7.6138 7.6138 9.5446 9.5446 10.1106 10.1106 11.3017 11.3017 11.6631 11.6631 11.8009 11.8009 12.3829 12.3829 15.0976 15.0976 16.3197 16.3197 k = 0.4214 0.4415 0.1464 ( 2104 PWs) bands (ev): -55.7857 -55.7857 -28.7059 -28.7059 -20.1034 -20.1034 -19.9849 -19.9849 3.0903 3.0903 3.3626 3.3626 7.4889 7.4889 9.5406 9.5406 10.0782 10.0782 11.2674 11.2674 11.7026 11.7026 11.8352 11.8352 12.4191 12.4191 15.1168 15.1168 16.2801 16.2801 k = 0.4154 0.4511 0.1576 ( 2104 PWs) bands (ev): -55.7857 -55.7857 -28.7061 -28.7061 -20.1044 -20.1044 -19.9850 -19.9850 3.1211 3.1211 3.4106 3.4106 7.3578 7.3578 9.5440 9.5440 10.0451 10.0451 11.2259 11.2259 11.7284 11.7284 11.8852 11.8852 12.4580 12.4580 15.1179 15.1179 16.2607 16.2607 k = 0.4094 0.4606 0.1689 ( 2098 PWs) bands (ev): -55.7856 -55.7856 -28.7063 -28.7063 -20.1055 -20.1055 -19.9850 -19.9850 3.1542 3.1542 3.4620 3.4620 7.2217 7.2217 9.5535 9.5535 10.0118 10.0118 11.1802 11.1802 11.7440 11.7440 11.9448 11.9448 12.4993 12.4993 15.0997 15.0997 16.2619 16.2619 k = 0.4033 0.4701 0.1802 ( 2100 PWs) bands (ev): -55.7856 -55.7856 -28.7065 -28.7065 -20.1067 -20.1067 -19.9851 -19.9851 3.1896 3.1896 3.5165 3.5165 7.0817 7.0817 9.5682 9.5682 9.9784 9.9784 11.1318 11.1318 11.7541 11.7541 12.0083 12.0083 12.5431 12.5431 15.0635 15.0635 16.2813 16.2813 k = 0.3973 0.4796 0.1914 ( 2096 PWs) bands (ev): -55.7855 -55.7855 -28.7067 -28.7067 -20.1078 -20.1078 -19.9851 -19.9851 3.2274 3.2274 3.5742 3.5742 6.9386 6.9386 9.5870 9.5870 9.9453 9.9453 11.0816 11.0816 11.7610 11.7610 12.0726 12.0726 12.5892 12.5892 15.0126 15.0126 16.3145 16.3145 k = 0.3912 0.4891 0.2027 ( 2096 PWs) bands (ev): -55.7855 -55.7855 -28.7069 -28.7069 -20.1091 -20.1091 -19.9851 -19.9851 3.2674 3.2674 3.6350 3.6350 6.7933 6.7933 9.6088 9.6088 9.9128 9.9128 11.0303 11.0303 11.7657 11.7657 12.1366 12.1366 12.6376 12.6376 14.9512 14.9512 16.3557 16.3557 k = 0.3852 0.4986 0.2139 ( 2096 PWs) bands (ev): -55.7855 -55.7855 -28.7072 -28.7072 -20.1103 -20.1103 -19.9852 -19.9852 3.3096 3.3096 3.6989 3.6989 6.6463 6.6463 9.6326 9.6326 9.8816 9.8816 10.9784 10.9784 11.7683 11.7683 12.1997 12.1997 12.6883 12.6883 14.8829 14.8829 16.3638 16.3638 k = 0.3791 0.5081 0.2252 ( 2100 PWs) bands (ev): -55.7855 -55.7855 -28.7074 -28.7074 -20.1116 -20.1116 -19.9852 -19.9852 3.3542 3.3542 3.7657 3.7657 6.4984 6.4984 9.6569 9.6569 9.8524 9.8524 10.9261 10.9261 11.7691 11.7691 12.2617 12.2617 12.7412 12.7412 14.8112 14.8112 16.2461 16.2461 k = 0.3731 0.5176 0.2365 ( 2096 PWs) bands (ev): -55.7854 -55.7854 -28.7076 -28.7076 -20.1129 -20.1129 -19.9852 -19.9852 3.4010 3.4010 3.8354 3.8354 6.3499 6.3499 9.6797 9.6797 9.8269 9.8269 10.8739 10.8739 11.7679 11.7679 12.3224 12.3224 12.7963 12.7963 14.7384 14.7384 16.1219 16.1219 k = 0.3671 0.5271 0.2477 ( 2100 PWs) bands (ev): -55.7854 -55.7854 -28.7079 -28.7079 -20.1142 -20.1142 -19.9852 -19.9852 3.4501 3.4501 3.9078 3.9078 6.2013 6.2013 9.6965 9.6965 9.8089 9.8089 10.8219 10.8219 11.7646 11.7646 12.3819 12.3819 12.8536 12.8536 14.6667 14.6667 15.9963 15.9963 k = 0.3610 0.5366 0.2590 ( 2100 PWs) bands (ev): -55.7854 -55.7854 -28.7081 -28.7081 -20.1155 -20.1155 -19.9852 -19.9852 3.5014 3.5014 3.9829 3.9829 6.0531 6.0531 9.7003 9.7003 9.8050 9.8050 10.7705 10.7705 11.7589 11.7589 12.4402 12.4402 12.9129 12.9129 14.5977 14.5977 15.8706 15.8706 k = 0.3550 0.5461 0.2702 ( 2100 PWs) bands (ev): -55.7853 -55.7853 -28.7084 -28.7084 -20.1168 -20.1168 -19.9852 -19.9852 3.5549 3.5549 4.0604 4.0604 5.9056 5.9056 9.6896 9.6896 9.8161 9.8161 10.7197 10.7197 11.7508 11.7508 12.4974 12.4974 12.9744 12.9744 14.5326 14.5326 15.7454 15.7454 k = 0.3489 0.5556 0.2815 ( 2100 PWs) bands (ev): -55.7853 -55.7853 -28.7086 -28.7086 -20.1180 -20.1180 -19.9851 -19.9851 3.6106 3.6106 4.1401 4.1401 5.7592 5.7592 9.6710 9.6710 9.8350 9.8350 10.6697 10.6697 11.7399 11.7399 12.5534 12.5534 13.0380 13.0380 14.4725 14.4725 15.6213 15.6213 k = 0.3429 0.5651 0.2928 ( 2100 PWs) bands (ev): -55.7853 -55.7853 -28.7088 -28.7088 -20.1193 -20.1193 -19.9851 -19.9851 3.6685 3.6685 4.2216 4.2216 5.6146 5.6146 9.6500 9.6500 9.8558 9.8558 10.6208 10.6208 11.7261 11.7261 12.6086 12.6086 13.1036 13.1036 14.4182 14.4182 15.4986 15.4986 k = 0.3368 0.5746 0.3040 ( 2108 PWs) bands (ev): -55.7853 -55.7853 -28.7091 -28.7091 -20.1206 -20.1206 -19.9851 -19.9851 3.7285 3.7285 4.3042 4.3042 5.4724 5.4724 9.6288 9.6288 9.8756 9.8756 10.5728 10.5728 11.7092 11.7092 12.6629 12.6629 13.1713 13.1713 14.3704 14.3704 15.3778 15.3778 k = 0.3308 0.5841 0.3153 ( 2112 PWs) bands (ev): -55.7852 -55.7852 -28.7093 -28.7093 -20.1217 -20.1217 -19.9851 -19.9851 3.7907 3.7907 4.3869 4.3869 5.3339 5.3339 9.6085 9.6085 9.8928 9.8928 10.5260 10.5260 11.6891 11.6891 12.7165 12.7165 13.2410 13.2410 14.3293 14.3293 15.2592 15.2592 k = 0.3247 0.5936 0.3265 ( 2110 PWs) bands (ev): -55.7852 -55.7852 -28.7095 -28.7095 -20.1228 -20.1228 -19.9850 -19.9850 3.8550 3.8550 4.4671 4.4671 5.2018 5.2018 9.5896 9.5896 9.9066 9.9066 10.4805 10.4805 11.6657 11.6657 12.7697 12.7697 13.3127 13.3127 14.2953 14.2953 15.1431 15.1431 k = 0.3187 0.6031 0.3378 ( 2106 PWs) bands (ev): -55.7852 -55.7852 -28.7096 -28.7096 -20.1238 -20.1238 -19.9849 -19.9849 3.9212 3.9212 4.5389 4.5389 5.0821 5.0821 9.5723 9.5723 9.9160 9.9160 10.4363 10.4363 11.6388 11.6388 12.8228 12.8228 13.3864 13.3864 14.2682 14.2682 15.0297 15.0297 k = 0.3127 0.6126 0.3491 ( 2110 PWs) bands (ev): -55.7852 -55.7852 -28.7098 -28.7098 -20.1248 -20.1248 -19.9849 -19.9849 3.9893 3.9893 4.5859 4.5859 4.9913 4.9913 9.5568 9.5568 9.9206 9.9206 10.3933 10.3933 11.6085 11.6085 12.8758 12.8758 13.4621 13.4621 14.2476 14.2476 14.9193 14.9193 k = 0.3066 0.6221 0.3603 ( 2110 PWs) bands (ev): -55.7851 -55.7851 -28.7100 -28.7100 -20.1257 -20.1257 -19.9848 -19.9848 4.0589 4.0589 4.5763 4.5763 4.9617 4.9617 9.5433 9.5433 9.9198 9.9198 10.3518 10.3518 11.5747 11.5747 12.9292 12.9292 13.5396 13.5396 14.2328 14.2328 14.8121 14.8121 k = 0.3006 0.6316 0.3716 ( 2104 PWs) bands (ev): -55.7851 -55.7851 -28.7101 -28.7101 -20.1265 -20.1265 -19.9847 -19.9847 4.1289 4.1289 4.5038 4.5038 5.0005 5.0005 9.5319 9.5319 9.9134 9.9134 10.3117 10.3117 11.5376 11.5376 12.9829 12.9829 13.6191 13.6191 14.2228 14.2228 14.7087 14.7087 k = 0.3006 0.6316 0.3716 ( 2104 PWs) bands (ev): -55.7851 -55.7851 -28.7101 -28.7101 -20.1265 -20.1265 -19.9847 -19.9847 4.1289 4.1289 4.5038 4.5038 5.0005 5.0005 9.5319 9.5319 9.9134 9.9134 10.3117 10.3117 11.5376 11.5376 12.9829 12.9829 13.6191 13.6191 14.2228 14.2228 14.7087 14.7087 k = 0.2863 0.6278 0.3761 ( 2105 PWs) bands (ev): -55.7851 -55.7851 -28.7101 -28.7101 -20.1268 -20.1268 -19.9846 -19.9846 4.1483 4.1483 4.4659 4.4659 5.0377 5.0377 9.5279 9.5279 9.9048 9.9048 10.2965 10.2965 11.5224 11.5224 13.0036 13.0036 13.6474 13.6474 14.2225 14.2225 14.6735 14.6735 k = 0.2719 0.6240 0.3805 ( 2106 PWs) bands (ev): -55.7851 -55.7851 -28.7102 -28.7102 -20.1271 -20.1271 -19.9846 -19.9846 4.1529 4.1529 4.4260 4.4260 5.0975 5.0975 9.5238 9.5238 9.8849 9.8849 10.2838 10.2838 11.5079 11.5079 13.0229 13.0229 13.6676 13.6676 14.2277 14.2277 14.6488 14.6488 k = 0.2576 0.6202 0.3850 ( 2104 PWs) bands (ev): -55.7851 -55.7851 -28.7102 -28.7102 -20.1274 -20.1274 -19.9845 -19.9845 4.1468 4.1468 4.3847 4.3847 5.1755 5.1755 9.5196 9.5196 9.8521 9.8521 10.2755 10.2755 11.4944 11.4944 13.0412 13.0412 13.6789 13.6789 14.2376 14.2376 14.6349 14.6349 k = 0.2433 0.6164 0.3895 ( 2102 PWs) bands (ev): -55.7851 -55.7851 -28.7102 -28.7102 -20.1276 -20.1276 -19.9844 -19.9844 4.1335 4.1335 4.3430 4.3430 5.2669 5.2669 9.5153 9.5153 9.8060 9.8060 10.2722 10.2722 11.4823 11.4823 13.0587 13.0587 13.6813 13.6813 14.2505 14.2505 14.6320 14.6320 k = 0.2290 0.6126 0.3940 ( 2098 PWs) bands (ev): -55.7851 -55.7851 -28.7102 -28.7102 -20.1279 -20.1279 -19.9843 -19.9843 4.1157 4.1157 4.3017 4.3017 5.3680 5.3680 9.5107 9.5107 9.7473 9.7473 10.2737 10.2737 11.4716 11.4716 13.0759 13.0759 13.6752 13.6752 14.2650 14.2650 14.6403 14.6403 k = 0.2147 0.6088 0.3985 ( 2094 PWs) bands (ev): -55.7850 -55.7850 -28.7102 -28.7102 -20.1281 -20.1281 -19.9842 -19.9842 4.0951 4.0951 4.2617 4.2617 5.4759 5.4759 9.5053 9.5053 9.6781 9.6781 10.2790 10.2790 11.4625 11.4625 13.0931 13.0931 13.6616 13.6616 14.2794 14.2794 14.6597 14.6597 k = 0.2004 0.6051 0.4030 ( 2097 PWs) bands (ev): -55.7850 -55.7850 -28.7103 -28.7103 -20.1283 -20.1283 -19.9842 -19.9842 4.0731 4.0731 4.2238 4.2238 5.5887 5.5887 9.4973 9.4973 9.6018 9.6018 10.2872 10.2872 11.4549 11.4549 13.1107 13.1107 13.6419 13.6419 14.2925 14.2925 14.6897 14.6897 k = 0.1861 0.6013 0.4075 ( 2095 PWs) bands (ev): -55.7850 -55.7850 -28.7103 -28.7103 -20.1285 -20.1285 -19.9841 -19.9841 4.0503 4.0503 4.1883 4.1883 5.7049 5.7049 9.4730 9.4730 9.5338 9.5338 10.2972 10.2972 11.4489 11.4489 13.1290 13.1290 13.6173 13.6173 14.3034 14.3034 14.7285 14.7285 k = 0.1718 0.5975 0.4120 ( 2094 PWs) bands (ev): -55.7850 -55.7850 -28.7103 -28.7103 -20.1287 -20.1287 -19.9841 -19.9841 4.0273 4.0273 4.1556 4.1556 5.8232 5.8232 9.3994 9.3994 9.5088 9.5088 10.3083 10.3083 11.4445 11.4445 13.1481 13.1481 13.5893 13.5893 14.3119 14.3119 14.7738 14.7738 k = 0.1574 0.5937 0.4164 ( 2097 PWs) bands (ev): -55.7850 -55.7850 -28.7104 -28.7104 -20.1289 -20.1289 -19.9840 -19.9840 4.0046 4.0046 4.1259 4.1259 5.9427 5.9427 9.3038 9.3038 9.5008 9.5008 10.3199 10.3199 11.4414 11.4414 13.1682 13.1682 13.5591 13.5591 14.3179 14.3179 14.8219 14.8219 k = 0.1431 0.5899 0.4209 ( 2097 PWs) bands (ev): -55.7850 -55.7850 -28.7104 -28.7104 -20.1291 -20.1291 -19.9840 -19.9840 3.9825 3.9825 4.0994 4.0994 6.0624 6.0624 9.2018 9.2018 9.4957 9.4957 10.3315 10.3315 11.4396 11.4396 13.1891 13.1891 13.5280 13.5280 14.3214 14.3214 14.8679 14.8679 k = 0.1288 0.5861 0.4254 ( 2092 PWs) bands (ev): -55.7850 -55.7850 -28.7103 -28.7103 -20.1292 -20.1292 -19.9839 -19.9839 3.9613 3.9613 4.0759 4.0759 6.1814 6.1814 9.0969 9.0969 9.4916 9.4916 10.3429 10.3429 11.4389 11.4389 13.2107 13.2107 13.4971 13.4971 14.3221 14.3221 14.9052 14.9052 k = 0.1145 0.5823 0.4299 ( 2097 PWs) bands (ev): -55.7850 -55.7850 -28.7104 -28.7104 -20.1293 -20.1293 -19.9839 -19.9839 3.9413 3.9413 4.0553 4.0553 6.2986 6.2986 8.9909 8.9909 9.4881 9.4881 10.3536 10.3536 11.4391 11.4391 13.2328 13.2328 13.4672 13.4672 14.3202 14.3202 14.9270 14.9270 k = 0.1002 0.5786 0.4344 ( 2097 PWs) bands (ev): -55.7850 -55.7850 -28.7104 -28.7104 -20.1295 -20.1295 -19.9838 -19.9838 3.9230 3.9230 4.0376 4.0376 6.4127 6.4127 8.8857 8.8857 9.4849 9.4849 10.3636 10.3636 11.4399 11.4399 13.2548 13.2548 13.4393 13.4393 14.3155 14.3155 14.9309 14.9309 k = 0.0859 0.5748 0.4389 ( 2099 PWs) bands (ev): -55.7850 -55.7850 -28.7105 -28.7105 -20.1296 -20.1296 -19.9838 -19.9838 3.9065 3.9065 4.0226 4.0226 6.5220 6.5220 8.7833 8.7833 9.4822 9.4822 10.3725 10.3725 11.4412 11.4412 13.2760 13.2760 13.4142 13.4142 14.3082 14.3082 14.9214 14.9214 k = 0.0716 0.5710 0.4434 ( 2103 PWs) bands (ev): -55.7850 -55.7850 -28.7105 -28.7105 -20.1297 -20.1297 -19.9838 -19.9838 3.8923 3.8923 4.0102 4.0102 6.6245 6.6245 8.6863 8.6863 9.4798 9.4798 10.3803 10.3803 11.4428 11.4428 13.2953 13.2953 13.3929 13.3929 14.2990 14.2990 14.9056 14.9056 k = 0.0573 0.5672 0.4479 ( 2107 PWs) bands (ev): -55.7850 -55.7850 -28.7106 -28.7106 -20.1298 -20.1298 -19.9838 -19.9838 3.8803 3.8803 4.0001 4.0001 6.7172 6.7172 8.5977 8.5977 9.4778 9.4778 10.3869 10.3869 11.4444 11.4444 13.3110 13.3110 13.3768 13.3768 14.2888 14.2888 14.8888 14.8888 k = 0.0429 0.5634 0.4523 ( 2107 PWs) bands (ev): -55.7850 -55.7850 -28.7106 -28.7106 -20.1299 -20.1299 -19.9838 -19.9838 3.8709 3.8709 3.9924 3.9924 6.7966 6.7966 8.5212 8.5212 9.4763 9.4763 10.3921 10.3921 11.4458 11.4458 13.3203 13.3203 13.3681 13.3681 14.2787 14.2787 14.8742 14.8742 k = 0.0286 0.5596 0.4568 ( 2109 PWs) bands (ev): -55.7850 -55.7850 -28.7106 -28.7106 -20.1299 -20.1299 -19.9838 -19.9838 3.8641 3.8641 3.9869 3.9869 6.8584 6.8584 8.4615 8.4615 9.4751 9.4751 10.3958 10.3958 11.4470 11.4470 13.3220 13.3220 13.3675 13.3675 14.2701 14.2701 14.8633 14.8633 k = 0.0143 0.5558 0.4613 ( 2109 PWs) bands (ev): -55.7850 -55.7850 -28.7106 -28.7106 -20.1299 -20.1299 -19.9838 -19.9838 3.8600 3.8600 3.9837 3.9837 6.8980 6.8980 8.4231 8.4231 9.4745 9.4745 10.3981 10.3981 11.4477 11.4477 13.3201 13.3201 13.3703 13.3703 14.2644 14.2644 14.8566 14.8566 k = 0.0000 0.5521 0.4658 ( 2102 PWs) bands (ev): -55.7850 -55.7850 -28.7105 -28.7105 -20.1299 -20.1299 -19.9837 -19.9837 3.8586 3.8586 3.9826 3.9826 6.9117 6.9117 8.4098 8.4098 9.4742 9.4742 10.3989 10.3989 11.4480 11.4480 13.3191 13.3191 13.3717 13.3717 14.2624 14.2624 14.8544 14.8544 k = 0.0000 0.5521 0.4658 ( 2102 PWs) bands (ev): -55.7850 -55.7850 -28.7105 -28.7105 -20.1299 -20.1299 -19.9837 -19.9837 3.8586 3.8586 3.9826 3.9826 6.9117 6.9117 8.4098 8.4098 9.4742 9.4742 10.3989 10.3989 11.4480 11.4480 13.3191 13.3191 13.3717 13.3717 14.2624 14.2624 14.8544 14.8544 k = 0.0061 0.5425 0.4772 ( 2104 PWs) bands (ev): -55.7850 -55.7850 -28.7106 -28.7106 -20.1299 -20.1299 -19.9837 -19.9837 3.8603 3.8603 3.9835 3.9835 6.9135 6.9135 8.4077 8.4077 9.4724 9.4724 10.3968 10.3968 11.4446 11.4446 13.3074 13.3074 13.3727 13.3727 14.2659 14.2659 14.8600 14.8600 k = 0.0122 0.5329 0.4885 ( 2104 PWs) bands (ev): -55.7850 -55.7850 -28.7106 -28.7106 -20.1300 -20.1300 -19.9838 -19.9838 3.8653 3.8653 3.9865 3.9865 6.9191 6.9191 8.4013 8.4013 9.4668 9.4668 10.3906 10.3906 11.4345 11.4345 13.2746 13.2746 13.3744 13.3744 14.2765 14.2765 14.8754 14.8754 k = 0.0183 0.5233 0.4999 ( 2106 PWs) bands (ev): -55.7850 -55.7850 -28.7106 -28.7106 -20.1302 -20.1302 -19.9839 -19.9839 3.8736 3.8736 3.9913 3.9913 6.9284 6.9284 8.3905 8.3905 9.4578 9.4578 10.3802 10.3802 11.4180 11.4180 13.2247 13.2247 13.3757 13.3757 14.2939 14.2939 14.8977 14.8977 k = 0.0244 0.5137 0.5112 ( 2108 PWs) bands (ev): -55.7850 -55.7850 -28.7107 -28.7107 -20.1304 -20.1304 -19.9840 -19.9840 3.8853 3.8853 3.9982 3.9982 6.9414 6.9414 8.3754 8.3754 9.4456 9.4456 10.3652 10.3652 11.3953 11.3953 13.1615 13.1615 13.3765 13.3765 14.3178 14.3178 14.9224 14.9224 k = 0.0305 0.5041 0.5226 ( 2108 PWs) bands (ev): -55.7850 -55.7850 -28.7108 -28.7108 -20.1306 -20.1306 -19.9842 -19.9842 3.9002 3.9002 4.0070 4.0070 6.9581 6.9581 8.3557 8.3557 9.4307 9.4307 10.3452 10.3452 11.3669 11.3669 13.0889 13.0889 13.3771 13.3771 14.3474 14.3474 14.9451 14.9451 k = 0.0366 0.4945 0.5340 ( 2104 PWs) bands (ev): -55.7850 -55.7850 -28.7108 -28.7108 -20.1309 -20.1309 -19.9843 -19.9843 3.9184 3.9184 4.0178 4.0178 6.9785 6.9785 8.3314 8.3314 9.4136 9.4136 10.3200 10.3200 11.3333 11.3333 13.0106 13.0106 13.3776 13.3776 14.3819 14.3819 14.9620 14.9620 k = 0.0427 0.4849 0.5453 ( 2110 PWs) bands (ev): -55.7850 -55.7850 -28.7110 -28.7110 -20.1314 -20.1314 -19.9845 -19.9845 3.9397 3.9397 4.0307 4.0307 7.0025 7.0025 8.3024 8.3024 9.3948 9.3948 10.2888 10.2888 11.2950 11.2950 12.9300 12.9300 13.3780 13.3780 14.4204 14.4204 14.9701 14.9701 k = 0.0488 0.4754 0.5567 ( 2108 PWs) bands (ev): -55.7850 -55.7850 -28.7111 -28.7111 -20.1318 -20.1318 -19.9847 -19.9847 3.9640 3.9640 4.0457 4.0457 7.0302 7.0302 8.2687 8.2687 9.3748 9.3748 10.2513 10.2513 11.2527 11.2527 12.8500 12.8500 13.3783 13.3783 14.4619 14.4619 14.9672 14.9672 k = 0.0549 0.4658 0.5681 ( 2102 PWs) bands (ev): -55.7849 -55.7849 -28.7112 -28.7112 -20.1322 -20.1322 -19.9849 -19.9849 3.9911 3.9911 4.0632 4.0632 7.0614 7.0614 8.2301 8.2301 9.3541 9.3541 10.2069 10.2069 11.2068 11.2068 12.7730 12.7730 13.3785 13.3785 14.5051 14.5051 14.9524 14.9524 k = 0.0610 0.4562 0.5794 ( 2104 PWs) bands (ev): -55.7849 -55.7849 -28.7113 -28.7113 -20.1328 -20.1328 -19.9852 -19.9852 4.0206 4.0206 4.0833 4.0833 7.0961 7.0961 8.1868 8.1868 9.3333 9.3333 10.1552 10.1552 11.1581 11.1581 12.7009 12.7009 13.3784 13.3784 14.5489 14.5489 14.9256 14.9256 k = 0.0671 0.4466 0.5908 ( 2104 PWs) bands (ev): -55.7849 -55.7849 -28.7115 -28.7115 -20.1334 -20.1334 -19.9854 -19.9854 4.0518 4.0518 4.1068 4.1068 7.1343 7.1343 8.1388 8.1388 9.3127 9.3127 10.0959 10.0959 11.1070 11.1070 12.6352 12.6352 13.3779 13.3779 14.5918 14.5918 14.8874 14.8874 k = 0.0732 0.4370 0.6021 ( 2106 PWs) bands (ev): -55.7849 -55.7849 -28.7117 -28.7117 -20.1340 -20.1340 -19.9857 -19.9857 4.0836 4.0836 4.1347 4.1347 7.1759 7.1759 8.0864 8.0864 9.2925 9.2925 10.0287 10.0287 11.0542 11.0542 12.5770 12.5770 13.3769 13.3769 14.6316 14.6316 14.8403 14.8403 k = 0.0793 0.4274 0.6135 ( 2106 PWs) bands (ev): -55.7848 -55.7848 -28.7118 -28.7118 -20.1347 -20.1347 -19.9860 -19.9860 4.1147 4.1147 4.1682 4.1682 7.2209 7.2209 8.0297 8.0297 9.2731 9.2731 9.9538 9.9538 11.0002 11.0002 12.5269 12.5269 13.3750 13.3750 14.6615 14.6615 14.7912 14.7912 k = 0.0854 0.4178 0.6249 ( 2102 PWs) bands (ev): -55.7848 -55.7848 -28.7120 -28.7120 -20.1354 -20.1354 -19.9863 -19.9863 4.1449 4.1449 4.2076 4.2076 7.2690 7.2690 7.9692 7.9692 9.2545 9.2545 9.8713 9.8713 10.9454 10.9454 12.4854 12.4854 13.3721 13.3721 14.6551 14.6551 14.7676 14.7676 k = 0.0915 0.4083 0.6362 ( 2098 PWs) bands (ev): -55.7848 -55.7848 -28.7121 -28.7121 -20.1361 -20.1361 -19.9865 -19.9865 4.1748 4.1748 4.2521 4.2521 7.3202 7.3202 7.9052 7.9052 9.2366 9.2366 9.7819 9.7819 10.8903 10.8903 12.4524 12.4524 13.3678 13.3678 14.5977 14.5977 14.7852 14.7852 k = 0.0976 0.3987 0.6476 ( 2104 PWs) bands (ev): -55.7848 -55.7848 -28.7124 -28.7124 -20.1370 -20.1370 -19.9869 -19.9869 4.2050 4.2050 4.3011 4.3011 7.3743 7.3743 7.8381 7.8381 9.2194 9.2194 9.6861 9.6861 10.8353 10.8353 12.4276 12.4276 13.3614 13.3614 14.5202 14.5202 14.8146 14.8146 k = 0.1037 0.3891 0.6589 ( 2098 PWs) bands (ev): -55.7847 -55.7847 -28.7125 -28.7125 -20.1378 -20.1378 -19.9871 -19.9871 4.2362 4.2362 4.3538 4.3538 7.4309 7.4309 7.7685 7.7685 9.2024 9.2024 9.5852 9.5852 10.7808 10.7808 12.4105 12.4105 13.3524 13.3524 14.4353 14.4353 14.8450 14.8450 k = 0.1098 0.3795 0.6703 ( 2094 PWs) bands (ev): -55.7847 -55.7847 -28.7127 -28.7127 -20.1386 -20.1386 -19.9874 -19.9874 4.2684 4.2684 4.4100 4.4100 7.4892 7.4892 7.6976 7.6976 9.1847 9.1847 9.4807 9.4807 10.7270 10.7270 12.4006 12.4006 13.3398 13.3398 14.3475 14.3475 14.8740 14.8740 k = 0.1159 0.3699 0.6817 ( 2094 PWs) bands (ev): -55.7846 -55.7846 -28.7129 -28.7129 -20.1395 -20.1395 -19.9877 -19.9877 4.3019 4.3019 4.4695 4.4695 7.5440 7.5440 7.6306 7.6306 9.1637 9.1637 9.3762 9.3762 10.6743 10.6743 12.3969 12.3969 13.3227 13.3227 14.2597 14.2597 14.9011 14.9011 k = 0.1220 0.3603 0.6930 ( 2088 PWs) bands (ev): -55.7846 -55.7846 -28.7131 -28.7131 -20.1403 -20.1403 -19.9879 -19.9879 4.3367 4.3367 4.5321 4.5321 7.5321 7.5321 7.6309 7.6309 9.1311 9.1311 9.2808 9.2808 10.6228 10.6228 12.3985 12.3985 13.2998 13.2998 14.1748 14.1748 14.9264 14.9264 k = 0.1280 0.3507 0.7044 ( 2088 PWs) bands (ev): -55.7846 -55.7846 -28.7133 -28.7133 -20.1412 -20.1412 -19.9882 -19.9882 4.3728 4.3728 4.5977 4.5977 7.4608 7.4608 7.6909 7.6909 9.0668 9.0668 9.2155 9.2155 10.5727 10.5727 12.4042 12.4042 13.2699 13.2699 14.0955 14.0955 14.9499 14.9499 k = 0.1341 0.3412 0.7157 ( 2088 PWs) bands (ev): -55.7845 -55.7845 -28.7135 -28.7135 -20.1421 -20.1421 -19.9885 -19.9885 4.4101 4.4101 4.6662 4.6662 7.3841 7.3841 7.7565 7.7565 8.9688 8.9688 9.1835 9.1835 10.5243 10.5243 12.4126 12.4126 13.2321 13.2321 14.0244 14.0244 14.9718 14.9718 k = 0.1402 0.3316 0.7271 ( 2094 PWs) bands (ev): -55.7845 -55.7845 -28.7138 -28.7138 -20.1431 -20.1431 -19.9888 -19.9888 4.4487 4.4487 4.7376 4.7376 7.3061 7.3061 7.8228 7.8228 8.8576 8.8576 9.1656 9.1656 10.4777 10.4777 12.4218 12.4218 13.1866 13.1866 13.9634 13.9634 14.9926 14.9926 k = 0.1463 0.3220 0.7385 ( 2096 PWs) bands (ev): -55.7845 -55.7845 -28.7140 -28.7140 -20.1440 -20.1440 -19.9890 -19.9890 4.4883 4.4883 4.8118 4.8118 7.2276 7.2276 7.8873 7.8873 8.7443 8.7443 9.1530 9.1530 10.4331 10.4331 12.4294 12.4294 13.1351 13.1351 13.9134 13.9134 15.0124 15.0124 k = 0.1524 0.3124 0.7498 ( 2094 PWs) bands (ev): -55.7845 -55.7845 -28.7142 -28.7142 -20.1449 -20.1449 -19.9892 -19.9892 4.5290 4.5290 4.8887 4.8887 7.1492 7.1492 7.9463 7.9463 8.6354 8.6354 9.1431 9.1431 10.3905 10.3905 12.4318 12.4318 13.0813 13.0813 13.8743 13.8743 15.0316 15.0316 k = 0.1585 0.3028 0.7612 ( 2092 PWs) bands (ev): -55.7844 -55.7844 -28.7144 -28.7144 -20.1458 -20.1458 -19.9894 -19.9894 4.5706 4.5706 4.9683 4.9683 7.0713 7.0713 7.9922 7.9922 8.5394 8.5394 9.1347 9.1347 10.3501 10.3501 12.4246 12.4246 13.0311 13.0311 13.8450 13.8450 15.0504 15.0504 k = 0.1646 0.2932 0.7726 ( 2092 PWs) bands (ev): -55.7844 -55.7844 -28.7146 -28.7146 -20.1466 -20.1466 -19.9896 -19.9896 4.6129 4.6129 5.0504 5.0504 6.9943 6.9943 8.0103 8.0103 8.4713 8.4713 9.1276 9.1276 10.3120 10.3120 12.4028 12.4028 12.9911 12.9911 13.8238 13.8238 15.0690 15.0690 k = 0.1707 0.2836 0.7839 ( 2090 PWs) bands (ev): -55.7844 -55.7844 -28.7147 -28.7147 -20.1474 -20.1474 -19.9898 -19.9898 4.6558 4.6558 5.1351 5.1351 6.9185 6.9185 7.9833 7.9833 8.4486 8.4486 9.1215 9.1215 10.2763 10.2763 12.3627 12.3627 12.9665 12.9665 13.8094 13.8094 15.0875 15.0875 k = 0.1768 0.2741 0.7953 ( 2086 PWs) bands (ev): -55.7843 -55.7843 -28.7149 -28.7149 -20.1481 -20.1481 -19.9899 -19.9899 4.6990 4.6990 5.2221 5.2221 6.8444 6.8444 7.9119 7.9119 8.4703 8.4703 9.1165 9.1165 10.2430 10.2430 12.3046 12.3046 12.9586 12.9586 13.8003 13.8003 15.1060 15.1060 k = 0.1829 0.2645 0.8066 ( 2088 PWs) bands (ev): -55.7843 -55.7843 -28.7151 -28.7151 -20.1489 -20.1489 -19.9901 -19.9901 4.7423 4.7423 5.3115 5.3115 6.7723 6.7723 7.8136 7.8136 8.5187 8.5187 9.1125 9.1125 10.2122 10.2122 12.2320 12.2320 12.9652 12.9652 13.7954 13.7954 15.1245 15.1245 k = 0.1890 0.2549 0.8180 ( 2094 PWs) bands (ev): -55.7843 -55.7843 -28.7153 -28.7153 -20.1497 -20.1497 -19.9903 -19.9903 4.7854 4.7854 5.4031 5.4031 6.7027 6.7027 7.7023 7.7023 8.5793 8.5793 9.1097 9.1097 10.1841 10.1841 12.1498 12.1498 12.9823 12.9823 13.7939 13.7939 15.1429 15.1429 k = 0.1951 0.2453 0.8294 ( 2098 PWs) bands (ev): -55.7843 -55.7843 -28.7155 -28.7155 -20.1504 -20.1504 -19.9904 -19.9904 4.8277 4.8277 5.4967 5.4967 6.6361 6.6361 7.5849 7.5849 8.6444 8.6444 9.1082 9.1082 10.1586 10.1586 12.0628 12.0628 13.0061 13.0061 13.7951 13.7951 15.1613 15.1613 k = 0.2012 0.2357 0.8407 ( 2098 PWs) bands (ev): -55.7843 -55.7843 -28.7156 -28.7156 -20.1510 -20.1510 -19.9905 -19.9905 4.8689 4.8689 5.5922 5.5922 6.5732 6.5732 7.4650 7.4650 8.7095 8.7095 9.1084 9.1084 10.1359 10.1359 11.9748 11.9748 13.0335 13.0335 13.7984 13.7984 15.1794 15.1794 k = 0.2073 0.2261 0.8521 ( 2096 PWs) bands (ev): -55.7843 -55.7843 -28.7157 -28.7157 -20.1515 -20.1515 -19.9906 -19.9906 4.9084 4.9084 5.6893 5.6893 6.5147 6.5147 7.3445 7.3445 8.7714 8.7714 9.1108 9.1108 10.1159 10.1159 11.8889 11.8889 13.0623 13.0623 13.8034 13.8034 15.1969 15.1969 k = 0.2134 0.2165 0.8634 ( 2092 PWs) bands (ev): -55.7842 -55.7842 -28.7158 -28.7158 -20.1519 -20.1519 -19.9907 -19.9907 4.9455 4.9455 5.7875 5.7875 6.4615 6.4615 7.2245 7.2245 8.8274 8.8274 9.1160 9.1160 10.0986 10.0986 11.8078 11.8078 13.0905 13.0905 13.8097 13.8097 15.2136 15.2136 k = 0.2195 0.2070 0.8748 ( 2092 PWs) bands (ev): -55.7842 -55.7842 -28.7158 -28.7158 -20.1523 -20.1523 -19.9907 -19.9907 4.9793 4.9793 5.8859 5.8859 6.4148 6.4148 7.1061 7.1061 8.8750 8.8750 9.1245 9.1245 10.0842 10.0842 11.7340 11.7340 13.1166 13.1166 13.8166 13.8166 15.2290 15.2290 k = 0.2256 0.1974 0.8862 ( 2092 PWs) bands (ev): -55.7842 -55.7842 -28.7159 -28.7159 -20.1527 -20.1527 -19.9908 -19.9908 5.0089 5.0089 5.9831 5.9831 6.3762 6.3762 6.9905 6.9905 8.9123 8.9123 9.1364 9.1364 10.0725 10.0725 11.6696 11.6696 13.1396 13.1396 13.8235 13.8235 15.2428 15.2428 k = 0.2317 0.1878 0.8975 ( 2090 PWs) bands (ev): -55.7842 -55.7842 -28.7159 -28.7159 -20.1529 -20.1529 -19.9908 -19.9908 5.0334 5.0334 6.0754 6.0754 6.3488 6.3488 6.8798 6.8798 8.9390 8.9390 9.1504 9.1504 10.0635 10.0635 11.6169 11.6169 13.1585 13.1585 13.8300 13.8300 15.2546 15.2546 k = 0.2378 0.1782 0.9089 ( 2084 PWs) bands (ev): -55.7842 -55.7842 -28.7159 -28.7159 -20.1531 -20.1531 -19.9908 -19.9908 5.0518 5.0518 6.1538 6.1538 6.3386 6.3386 6.7779 6.7779 8.9561 8.9561 9.1637 9.1637 10.0571 10.0571 11.5776 11.5776 13.1724 13.1724 13.8352 13.8352 15.2644 15.2644 k = 0.2439 0.1686 0.9202 ( 2080 PWs) bands (ev): -55.7841 -55.7841 -28.7159 -28.7159 -20.1531 -20.1531 -19.9908 -19.9908 5.0632 5.0632 6.2013 6.2013 6.3527 6.3527 6.6955 6.6955 8.9654 8.9654 9.1733 9.1733 10.0534 10.0534 11.5534 11.5534 13.1810 13.1810 13.8386 13.8386 15.2719 15.2719 k = 0.2500 0.1590 0.9316 ( 2080 PWs) bands (ev): -55.7841 -55.7841 -28.7159 -28.7159 -20.1532 -20.1532 -19.9908 -19.9908 5.0670 5.0670 6.2141 6.2141 6.3685 6.3685 6.6600 6.6600 8.9683 8.9683 9.1767 9.1767 10.0521 10.0521 11.5452 11.5452 13.1839 13.1839 13.8398 13.8398 15.2753 15.2753 k = 0.2500 0.1590 0.9316 ( 2080 PWs) bands (ev): -55.7841 -55.7841 -28.7159 -28.7159 -20.1532 -20.1532 -19.9908 -19.9908 5.0670 5.0670 6.2141 6.2141 6.3685 6.3685 6.6600 6.6600 8.9683 8.9683 9.1767 9.1767 10.0521 10.0521 11.5452 11.5452 13.1839 13.1839 13.8398 13.8398 15.2753 15.2753 k = 0.2614 0.1662 0.9230 ( 2083 PWs) bands (ev): -55.7842 -55.7842 -28.7159 -28.7159 -20.1532 -20.1532 -19.9908 -19.9908 5.0652 5.0652 6.2108 6.2108 6.3624 6.3624 6.6743 6.6743 8.9622 8.9622 9.1812 9.1812 10.0403 10.0403 11.5607 11.5607 13.1838 13.1838 13.8394 13.8394 15.2322 15.2322 k = 0.2727 0.1735 0.9145 ( 2079 PWs) bands (ev): -55.7841 -55.7841 -28.7159 -28.7159 -20.1531 -20.1531 -19.9908 -19.9908 5.0604 5.0604 6.2006 6.2006 6.3461 6.3461 6.7149 6.7149 8.9437 8.9437 9.1941 9.1941 10.0069 10.0069 11.6059 11.6059 13.1839 13.1839 13.8379 13.8379 15.1780 15.1780 k = 0.2841 0.1807 0.9059 ( 2085 PWs) bands (ev): -55.7842 -55.7842 -28.7159 -28.7159 -20.1531 -20.1531 -19.9908 -19.9908 5.0536 5.0536 6.1828 6.1828 6.3264 6.3264 6.7747 6.7747 8.9137 8.9137 9.2138 9.2138 9.9570 9.9570 11.6764 11.6764 13.1844 13.1844 13.8347 13.8347 15.1260 15.1260 k = 0.2955 0.1879 0.8973 ( 2085 PWs) bands (ev): -55.7842 -55.7842 -28.7159 -28.7159 -20.1530 -20.1530 -19.9908 -19.9908 5.0454 5.0454 6.1571 6.1571 6.3092 6.3092 6.8474 6.8474 8.8731 8.8731 9.2382 9.2382 9.8968 9.8968 11.7673 11.7673 13.1859 13.1859 13.8293 13.8293 15.0776 15.0776 k = 0.3068 0.1952 0.8888 ( 2089 PWs) bands (ev): -55.7842 -55.7842 -28.7159 -28.7159 -20.1530 -20.1530 -19.9908 -19.9908 5.0366 5.0366 6.1248 6.1248 6.2965 6.2965 6.9288 6.9288 8.8227 8.8227 9.2655 9.2655 9.8319 9.8319 11.8736 11.8736 13.1887 13.1887 13.8210 13.8210 15.0338 15.0338 k = 0.3182 0.2024 0.8802 ( 2095 PWs) bands (ev): -55.7842 -55.7842 -28.7160 -28.7160 -20.1529 -20.1529 -19.9909 -19.9909 5.0277 5.0277 6.0881 6.0881 6.2878 6.2878 7.0164 7.0164 8.7630 8.7630 9.2946 9.2946 9.7669 9.7669 11.9913 11.9913 13.1931 13.1931 13.8091 13.8091 14.9955 14.9955 k = 0.3295 0.2096 0.8716 ( 2099 PWs) bands (ev): -55.7842 -55.7842 -28.7160 -28.7160 -20.1528 -20.1528 -19.9909 -19.9909 5.0191 5.0191 6.0491 6.0491 6.2821 6.2821 7.1081 7.1081 8.6946 8.6946 9.3248 9.3248 9.7053 9.7053 12.1172 12.1172 13.1995 13.1995 13.7932 13.7932 14.9634 14.9634 k = 0.3409 0.2168 0.8631 ( 2097 PWs) bands (ev): -55.7842 -55.7842 -28.7159 -28.7159 -20.1526 -20.1526 -19.9908 -19.9908 5.0111 5.0111 6.0090 6.0090 6.2786 6.2786 7.2027 7.2027 8.6186 8.6186 9.3554 9.3554 9.6492 9.6492 12.2486 12.2486 13.2084 13.2084 13.7730 13.7730 14.9383 14.9383 k = 0.3523 0.2241 0.8545 ( 2091 PWs) bands (ev): -55.7842 -55.7842 -28.7158 -28.7158 -20.1524 -20.1524 -19.9907 -19.9907 5.0042 5.0042 5.9688 5.9688 6.2767 6.2767 7.2986 7.2986 8.5367 8.5367 9.3857 9.3857 9.6001 9.6001 12.3831 12.3831 13.2201 13.2201 13.7483 13.7483 14.9204 14.9204 k = 0.3636 0.2313 0.8459 ( 2085 PWs) bands (ev): -55.7842 -55.7842 -28.7157 -28.7157 -20.1522 -20.1522 -19.9906 -19.9906 4.9985 4.9985 5.9286 5.9286 6.2761 6.2761 7.3940 7.3940 8.4515 8.4515 9.4143 9.4143 9.5590 9.5590 12.5185 12.5185 13.2351 13.2351 13.7193 13.7193 14.9099 14.9099 k = 0.3750 0.2385 0.8374 ( 2084 PWs) bands (ev): -55.7842 -55.7842 -28.7157 -28.7157 -20.1519 -20.1519 -19.9906 -19.9906 4.9942 4.9942 5.8888 5.8888 6.2766 6.2766 7.4860 7.4860 8.3670 8.3670 9.4377 9.4377 9.5291 9.5291 12.6522 12.6522 13.2542 13.2542 13.6865 13.6865 14.9064 14.9064 k = 0.3864 0.2458 0.8288 ( 2078 PWs) bands (ev): -55.7842 -55.7842 -28.7156 -28.7156 -20.1516 -20.1516 -19.9905 -19.9905 4.9914 4.9914 5.8491 5.8491 6.2780 6.2780 7.5699 7.5699 8.2895 8.2895 9.4453 9.4453 9.5202 9.5202 12.7814 12.7814 13.2785 13.2785 13.6509 13.6509 14.9095 14.9095 k = 0.3977 0.2530 0.8202 ( 2083 PWs) bands (ev): -55.7842 -55.7842 -28.7156 -28.7156 -20.1514 -20.1514 -19.9906 -19.9906 4.9904 4.9904 5.8095 5.8095 6.2804 6.2804 7.6364 7.6364 8.2291 8.2291 9.4334 9.4334 9.5352 9.5352 12.9020 12.9020 13.3095 13.3095 13.6140 13.6140 14.9183 14.9183 k = 0.4091 0.2602 0.8117 ( 2087 PWs) bands (ev): -55.7842 -55.7842 -28.7155 -28.7155 -20.1511 -20.1511 -19.9906 -19.9906 4.9911 4.9911 5.7695 5.7695 6.2836 6.2836 7.6713 7.6713 8.2015 8.2015 9.4158 9.4158 9.5596 9.5596 13.0087 13.0087 13.3477 13.3477 13.5791 13.5791 14.9318 14.9318 k = 0.4205 0.2674 0.8031 ( 2087 PWs) bands (ev): -55.7842 -55.7842 -28.7155 -28.7155 -20.1508 -20.1508 -19.9906 -19.9906 4.9935 4.9935 5.7288 5.7288 6.2876 6.2876 7.6635 7.6635 8.2188 8.2188 9.3993 9.3993 9.5860 9.5860 13.0970 13.0970 13.3875 13.3875 13.5552 13.5552 14.9485 14.9485 k = 0.4318 0.2747 0.7945 ( 2083 PWs) bands (ev): -55.7842 -55.7842 -28.7154 -28.7154 -20.1505 -20.1505 -19.9905 -19.9905 4.9979 4.9979 5.6870 5.6870 6.2925 6.2925 7.6193 7.6193 8.2753 8.2753 9.3858 9.3858 9.6123 9.6123 13.1655 13.1655 13.4050 13.4050 13.5649 13.5649 14.9666 14.9666 k = 0.4432 0.2819 0.7860 ( 2085 PWs) bands (ev): -55.7843 -55.7843 -28.7153 -28.7153 -20.1502 -20.1502 -19.9905 -19.9905 5.0039 5.0039 5.6435 5.6435 6.2982 6.2982 7.5548 7.5548 8.3558 8.3558 9.3761 9.3761 9.6376 9.6376 13.2179 13.2179 13.3879 13.3879 13.6141 13.6141 14.9840 14.9840 k = 0.4545 0.2891 0.7774 ( 2087 PWs) bands (ev): -55.7843 -55.7843 -28.7153 -28.7153 -20.1498 -20.1498 -19.9904 -19.9904 5.0117 5.0117 5.5980 5.5980 6.3048 6.3048 7.4824 7.4824 8.4480 8.4480 9.3708 9.3708 9.6613 9.6613 13.2581 13.2581 13.3575 13.3575 13.6738 13.6738 14.9993 14.9993 k = 0.4659 0.2964 0.7688 ( 2083 PWs) bands (ev): -55.7843 -55.7843 -28.7152 -28.7152 -20.1494 -20.1494 -19.9904 -19.9904 5.0208 5.0208 5.5499 5.5499 6.3122 6.3122 7.4091 7.4091 8.5449 8.5449 9.3708 9.3708 9.6832 9.6832 13.2791 13.2791 13.3365 13.3365 13.7243 13.7243 15.0132 15.0132 k = 0.4773 0.3036 0.7603 ( 2080 PWs) bands (ev): -55.7843 -55.7843 -28.7150 -28.7150 -20.1490 -20.1490 -19.9903 -19.9903 5.0310 5.0310 5.4992 5.4992 6.3205 6.3205 7.3390 7.3390 8.6416 8.6416 9.3776 9.3776 9.7029 9.7029 13.2606 13.2606 13.3515 13.3515 13.7559 13.7559 15.0298 15.0298 k = 0.4886 0.3108 0.7517 ( 2082 PWs) bands (ev): -55.7843 -55.7843 -28.7150 -28.7150 -20.1486 -20.1486 -19.9902 -19.9902 5.0414 5.0414 5.4462 5.4462 6.3298 6.3298 7.2746 7.2746 8.7343 8.7343 9.3932 9.3932 9.7203 9.7203 13.2275 13.2275 13.3803 13.3803 13.7642 13.7642 15.0535 15.0535 k = 0.5000 0.3180 0.7431 ( 2084 PWs) bands (ev): -55.7843 -55.7843 -28.7149 -28.7149 -20.1481 -20.1481 -19.9902 -19.9902 5.0503 5.0503 5.3920 5.3920 6.3399 6.3399 7.2173 7.2173 8.8190 8.8190 9.4203 9.4203 9.7349 9.7349 13.1938 13.1938 13.4096 13.4096 13.7495 13.7495 15.0866 15.0866 k = 0.5000 0.3180 0.7431 ( 2084 PWs) bands (ev): -55.7843 -55.7843 -28.7149 -28.7149 -20.1481 -20.1481 -19.9902 -19.9902 5.0503 5.0503 5.3920 5.3920 6.3399 6.3399 7.2173 7.2173 8.8190 8.8190 9.4203 9.4203 9.7349 9.7349 13.1938 13.1938 13.4096 13.4096 13.7495 13.7495 15.0866 15.0866 k = 0.5000 0.3180 0.7273 ( 2080 PWs) bands (ev): -55.7843 -55.7843 -28.7147 -28.7147 -20.1472 -20.1472 -19.9901 -19.9901 5.0622 5.0622 5.2940 5.2940 6.3604 6.3604 7.1211 7.1211 8.9664 8.9664 9.4825 9.4825 9.7604 9.7604 13.1328 13.1328 13.4593 13.4593 13.7036 13.7036 15.1594 15.1594 k = 0.5000 0.3180 0.7115 ( 2076 PWs) bands (ev): -55.7843 -55.7843 -28.7145 -28.7145 -20.1463 -20.1463 -19.9899 -19.9899 5.0675 5.0675 5.2016 5.2016 6.3825 6.3825 7.0304 7.0304 9.1145 9.1145 9.5448 9.5448 9.7879 9.7879 13.0719 13.0719 13.5022 13.5022 13.6592 13.6592 15.2398 15.2398 k = 0.5000 0.3180 0.6957 ( 2068 PWs) bands (ev): -55.7843 -55.7843 -28.7142 -28.7142 -20.1453 -20.1453 -19.9897 -19.9897 5.0476 5.0476 5.1328 5.1328 6.4060 6.4060 6.9464 6.9464 9.2621 9.2621 9.6082 9.6082 9.8175 9.8175 13.0113 13.0113 13.5368 13.5368 13.6171 13.6171 15.3277 15.3277 k = 0.5000 0.3180 0.6799 ( 2072 PWs) bands (ev): -55.7844 -55.7844 -28.7140 -28.7140 -20.1442 -20.1442 -19.9897 -19.9897 4.9770 4.9770 5.1119 5.1119 6.4310 6.4310 6.8707 6.8707 9.4065 9.4065 9.6749 9.6749 9.8491 9.8491 12.9512 12.9512 13.5604 13.5604 13.5800 13.5800 15.4217 15.4217 k = 0.5000 0.3180 0.6641 ( 2072 PWs) bands (ev): -55.7844 -55.7844 -28.7138 -28.7138 -20.1431 -20.1431 -19.9896 -19.9896 4.8888 4.8888 5.1047 5.1047 6.4573 6.4573 6.8048 6.8048 9.5428 9.5428 9.7494 9.7494 9.8833 9.8833 12.8915 12.8915 13.5385 13.5385 13.5831 13.5831 15.5198 15.5198 k = 0.5000 0.3180 0.6483 ( 2076 PWs) bands (ev): -55.7845 -55.7845 -28.7136 -28.7136 -20.1419 -20.1419 -19.9895 -19.9895 4.7985 4.7985 5.0945 5.0945 6.4847 6.4847 6.7506 6.7506 9.6611 9.6611 9.8393 9.8393 9.9215 9.9215 12.8321 12.8321 13.5063 13.5063 13.5924 13.5924 15.6194 15.6194 k = 0.5000 0.3180 0.6325 ( 2080 PWs) bands (ev): -55.7845 -55.7845 -28.7134 -28.7134 -20.1408 -20.1408 -19.9894 -19.9894 4.7090 4.7090 5.0774 5.0774 6.5129 6.5129 6.7095 6.7095 9.7544 9.7544 9.9329 9.9329 9.9821 9.9821 12.7731 12.7731 13.4780 13.4780 13.5947 13.5947 15.7176 15.7176 k = 0.5000 0.3180 0.6166 ( 2078 PWs) bands (ev): -55.7846 -55.7846 -28.7131 -28.7131 -20.1395 -20.1395 -19.9893 -19.9893 4.6209 4.6209 5.0519 5.0519 6.5415 6.5415 6.6830 6.6830 9.8293 9.8293 9.9847 9.9847 10.1037 10.1037 12.7142 12.7142 13.4548 13.4548 13.5905 13.5905 15.8122 15.8122 k = 0.5000 0.3180 0.6008 ( 2078 PWs) bands (ev): -55.7846 -55.7846 -28.7128 -28.7128 -20.1382 -20.1382 -19.9891 -19.9891 4.5347 4.5347 5.0176 5.0176 6.5697 6.5697 6.6723 6.6723 9.8952 9.8952 10.0274 10.0274 10.2432 10.2432 12.6554 12.6554 13.4374 13.4374 13.5804 13.5804 15.9015 15.9015 k = 0.5000 0.3180 0.5850 ( 2086 PWs) bands (ev): -55.7847 -55.7847 -28.7126 -28.7126 -20.1369 -20.1369 -19.9890 -19.9890 4.4503 4.4503 4.9743 4.9743 6.5973 6.5973 6.6775 6.6775 9.9569 9.9569 10.0703 10.0703 10.3857 10.3857 12.5965 12.5965 13.4269 13.4269 13.5653 13.5653 15.9844 15.9844 k = 0.5000 0.3180 0.5692 ( 2092 PWs) bands (ev): -55.7847 -55.7847 -28.7124 -28.7124 -20.1356 -20.1356 -19.9889 -19.9889 4.3680 4.3680 4.9228 4.9228 6.6260 6.6260 6.6965 6.6965 10.0165 10.0165 10.1146 10.1146 10.5271 10.5271 12.5374 12.5374 13.4241 13.4241 13.5457 13.5457 16.0604 16.0604 k = 0.5000 0.3180 0.5534 ( 2092 PWs) bands (ev): -55.7848 -55.7848 -28.7121 -28.7121 -20.1342 -20.1342 -19.9888 -19.9888 4.2877 4.2877 4.8640 4.8640 6.6589 6.6589 6.7250 6.7250 10.0749 10.0749 10.1603 10.1603 10.6651 10.6651 12.4780 12.4780 13.4302 13.4302 13.5223 13.5223 16.1291 16.1291 k = 0.5000 0.3180 0.5376 ( 2098 PWs) bands (ev): -55.7848 -55.7848 -28.7119 -28.7119 -20.1328 -20.1328 -19.9887 -19.9887 4.2096 4.2096 4.7991 4.7991 6.6989 6.6989 6.7592 6.7592 10.1324 10.1324 10.2077 10.2077 10.7981 10.7981 12.4181 12.4181 13.4461 13.4461 13.4958 13.4958 16.1903 16.1903 k = 0.5000 0.3180 0.5218 ( 2098 PWs) bands (ev): -55.7849 -55.7849 -28.7116 -28.7116 -20.1313 -20.1313 -19.9885 -19.9885 4.1337 4.1337 4.7292 4.7292 6.7467 6.7467 6.7971 6.7971 10.1893 10.1893 10.2566 10.2566 10.9246 10.9246 12.3577 12.3577 13.4618 13.4618 13.4779 13.4779 16.2438 16.2438 k = 0.5000 0.3180 0.5060 ( 2102 PWs) bands (ev): -55.7849 -55.7849 -28.7113 -28.7113 -20.1299 -20.1299 -19.9884 -19.9884 4.0599 4.0599 4.6557 4.6557 6.8023 6.8023 6.8377 6.8377 10.2456 10.2456 10.3069 10.3069 11.0430 11.0430 12.2966 12.2966 13.4321 13.4321 13.5154 13.5154 16.2898 16.2898 k = 0.5000 0.3180 0.4902 ( 2106 PWs) bands (ev): -55.7850 -55.7850 -28.7111 -28.7111 -20.1284 -20.1284 -19.9882 -19.9882 3.9883 3.9883 4.5794 4.5794 6.8651 6.8651 6.8804 6.8804 10.3014 10.3014 10.3586 10.3586 11.1521 11.1521 12.2346 12.2346 13.3977 13.3977 13.5692 13.5692 16.3282 16.3282 k = 0.5000 0.3180 0.4743 ( 2106 PWs) bands (ev): -55.7850 -55.7850 -28.7107 -28.7107 -20.1269 -20.1269 -19.9881 -19.9881 3.9190 3.9190 4.5014 4.5014 6.9245 6.9245 6.9349 6.9349 10.3568 10.3568 10.4115 10.4115 11.2509 11.2509 12.1718 12.1718 13.3610 13.3610 13.6378 13.6378 16.3594 16.3594 k = 0.5000 0.3180 0.4585 ( 2106 PWs) bands (ev): -55.7851 -55.7851 -28.7104 -28.7104 -20.1254 -20.1254 -19.9879 -19.9879 3.8519 3.8519 4.4224 4.4224 6.9706 6.9706 7.0103 7.0103 10.4118 10.4118 10.4654 10.4654 11.3388 11.3388 12.1080 12.1080 13.3225 13.3225 13.7217 13.7217 16.3840 16.3840 k = 0.5000 0.3180 0.4427 ( 2106 PWs) bands (ev): -55.7851 -55.7851 -28.7101 -28.7101 -20.1239 -20.1239 -19.9877 -19.9877 3.7870 3.7870 4.3432 4.3432 7.0181 7.0181 7.0914 7.0914 10.4664 10.4664 10.5199 10.5199 11.4156 11.4156 12.0433 12.0433 13.2822 13.2822 13.8210 13.8210 16.4026 16.4026 k = 0.5000 0.3180 0.4269 ( 2110 PWs) bands (ev): -55.7852 -55.7852 -28.7099 -28.7099 -20.1224 -20.1224 -19.9875 -19.9875 3.7244 3.7244 4.2642 4.2642 7.0670 7.0670 7.1774 7.1774 10.5205 10.5205 10.5749 10.5749 11.4814 11.4814 11.9775 11.9775 13.2404 13.2404 13.9353 13.9353 16.4160 16.4160 k = 0.5000 0.3180 0.4111 ( 2110 PWs) bands (ev): -55.7852 -55.7852 -28.7095 -28.7095 -20.1209 -20.1209 -19.9873 -19.9873 3.6640 3.6640 4.1860 4.1860 7.1172 7.1172 7.2680 7.2680 10.5742 10.5742 10.6301 10.6301 11.5367 11.5367 11.9109 11.9109 13.1972 13.1972 14.0641 14.0641 16.4253 16.4253 k = 0.5000 0.3180 0.3953 ( 2110 PWs) bands (ev): -55.7852 -55.7852 -28.7092 -28.7092 -20.1194 -20.1194 -19.9871 -19.9871 3.6060 3.6060 4.1089 4.1089 7.1685 7.1685 7.3629 7.3629 10.6271 10.6271 10.6854 10.6854 11.5824 11.5824 11.8436 11.8436 13.1526 13.1526 14.2062 14.2062 16.4311 16.4311 k = 0.5000 0.3180 0.3795 ( 2110 PWs) bands (ev): -55.7853 -55.7853 -28.7089 -28.7089 -20.1179 -20.1179 -19.9870 -19.9870 3.5502 3.5502 4.0333 4.0333 7.2210 7.2210 7.4615 7.4615 10.6789 10.6789 10.7407 10.7407 11.6185 11.6185 11.7766 11.7766 13.1066 13.1066 14.3605 14.3605 16.4341 16.4341 k = 0.5000 0.3180 0.3637 ( 2114 PWs) bands (ev): -55.7853 -55.7853 -28.7087 -28.7087 -20.1164 -20.1164 -19.9868 -19.9868 3.4967 3.4967 3.9595 3.9595 7.2745 7.2745 7.5638 7.5638 10.7293 10.7293 10.7958 10.7958 11.6414 11.6414 11.7150 11.7150 13.0593 13.0593 14.5257 14.5257 16.4332 16.4332 k = 0.5000 0.3180 0.3479 ( 2110 PWs) bands (ev): -55.7854 -55.7854 -28.7083 -28.7083 -20.1149 -20.1149 -19.9866 -19.9866 3.4454 3.4454 3.8876 3.8876 7.3290 7.3290 7.6694 7.6694 10.7779 10.7779 10.8505 10.8505 11.6173 11.6173 11.6938 11.6938 13.0108 13.0108 14.7008 14.7008 16.4171 16.4171 k = 0.5000 0.3180 0.3320 ( 2112 PWs) bands (ev): -55.7854 -55.7854 -28.7081 -28.7081 -20.1135 -20.1135 -19.9864 -19.9864 3.3965 3.3965 3.8180 3.8180 7.3844 7.3844 7.7781 7.7781 10.8242 10.8242 10.9048 10.9048 11.5538 11.5538 11.7067 11.7067 12.9609 12.9609 14.8844 14.8844 16.3447 16.3447 k = 0.5000 0.3180 0.3162 ( 2116 PWs) bands (ev): -55.7855 -55.7855 -28.7078 -28.7078 -20.1121 -20.1121 -19.9863 -19.9863 3.3499 3.3499 3.7508 3.7508 7.4405 7.4405 7.8897 7.8897 10.8675 10.8675 10.9582 10.9582 11.4853 11.4853 11.7210 11.7210 12.9098 12.9098 15.0756 15.0756 16.2369 16.2369 k = 0.5000 0.3180 0.3004 ( 2112 PWs) bands (ev): -55.7855 -55.7855 -28.7075 -28.7075 -20.1107 -20.1107 -19.9861 -19.9861 3.3055 3.3055 3.6861 3.6861 7.4972 7.4972 8.0040 8.0040 10.9071 10.9071 11.0099 11.0099 11.4170 11.4170 11.7332 11.7332 12.8574 12.8574 15.2735 15.2735 16.1189 16.1189 k = 0.5000 0.3180 0.2846 ( 2108 PWs) bands (ev): -55.7855 -55.7855 -28.7072 -28.7072 -20.1093 -20.1093 -19.9859 -19.9859 3.2635 3.2635 3.6240 3.6240 7.5545 7.5545 8.1207 8.1207 10.9420 10.9420 11.0584 11.0584 11.3521 11.3521 11.7430 11.7430 12.8039 12.8039 15.4771 15.4771 15.9966 15.9966 k = 0.5000 0.3180 0.2688 ( 2108 PWs) bands (ev): -55.7856 -55.7856 -28.7069 -28.7069 -20.1080 -20.1080 -19.9857 -19.9857 3.2238 3.2238 3.5648 3.5648 7.6121 7.6121 8.2397 8.2397 10.9702 10.9702 11.0989 11.0989 11.2968 11.2968 11.7509 11.7509 12.7493 12.7493 15.6853 15.6853 15.8733 15.8733 k = 0.5000 0.3180 0.2530 ( 2106 PWs) bands (ev): -55.7856 -55.7856 -28.7066 -28.7066 -20.1067 -20.1067 -19.9855 -19.9855 3.1863 3.1863 3.5085 3.5085 7.6699 7.6699 8.3609 8.3609 10.9876 10.9876 11.1193 11.1193 11.2672 11.2672 11.7570 11.7570 12.6940 12.6940 15.7482 15.7482 15.9003 15.9003 k = 0.5000 0.3180 0.2372 ( 2106 PWs) bands (ev): -55.7856 -55.7856 -28.7064 -28.7064 -20.1056 -20.1056 -19.9854 -19.9854 3.1512 3.1512 3.4551 3.4551 7.7277 7.7277 8.4839 8.4839 10.9843 10.9843 11.1138 11.1138 11.2783 11.2783 11.7616 11.7616 12.6380 12.6380 15.6284 15.6284 16.1159 16.1159 k = 0.5000 0.3180 0.2214 ( 2106 PWs) bands (ev): -55.7857 -55.7857 -28.7062 -28.7062 -20.1044 -20.1044 -19.9852 -19.9852 3.1184 3.1184 3.4048 3.4048 7.7852 7.7852 8.6086 8.6086 10.9519 10.9519 11.1077 11.1077 11.3128 11.3128 11.7648 11.7648 12.5821 12.5821 15.5121 15.5121 16.3342 16.3342 k = 0.5000 0.3180 0.2055 ( 2106 PWs) bands (ev): -55.7857 -55.7857 -28.7060 -28.7060 -20.1034 -20.1034 -19.9851 -19.9851 3.0879 3.0879 3.3577 3.3577 7.8422 7.8422 8.7348 8.7348 10.8990 10.8990 11.1083 11.1083 11.3542 11.3542 11.7667 11.7667 12.5267 12.5267 15.4008 15.4008 16.5460 16.5460 k = 0.5000 0.3180 0.1897 ( 2108 PWs) bands (ev): -55.7857 -55.7857 -28.7058 -28.7058 -20.1024 -20.1024 -19.9850 -19.9850 3.0597 3.0597 3.3138 3.3138 7.8983 7.8983 8.8623 8.8623 10.8377 10.8377 11.1086 11.1086 11.3965 11.3965 11.7672 11.7672 12.4728 12.4728 15.2958 15.2958 16.6250 16.6250 k = 0.5000 0.3180 0.1739 ( 2108 PWs) bands (ev): -55.7857 -55.7857 -28.7056 -28.7056 -20.1014 -20.1014 -19.9849 -19.9849 3.0338 3.0338 3.2732 3.2732 7.9532 7.9532 8.9908 8.9908 10.7740 10.7740 11.1040 11.1040 11.4377 11.4377 11.7664 11.7664 12.4212 12.4212 15.1977 15.1977 16.6651 16.6651 k = 0.5000 0.3180 0.1581 ( 2104 PWs) bands (ev): -55.7858 -55.7858 -28.7054 -28.7054 -20.1005 -20.1005 -19.9847 -19.9847 3.0102 3.0102 3.2359 3.2359 8.0065 8.0065 9.1200 9.1200 10.7107 10.7107 11.0918 11.0918 11.4766 11.4766 11.7645 11.7645 12.3732 12.3732 15.1072 15.1072 16.7079 16.7079 k = 0.5000 0.3180 0.1423 ( 2108 PWs) bands (ev): -55.7858 -55.7858 -28.7053 -28.7053 -20.0998 -20.0998 -19.9846 -19.9846 2.9889 2.9889 3.2019 3.2019 8.0577 8.0577 9.2496 9.2496 10.6493 10.6493 11.0705 11.0705 11.5125 11.5125 11.7615 11.7615 12.3297 12.3297 15.0248 15.0248 16.7543 16.7543 k = 0.5000 0.3180 0.1265 ( 2104 PWs) bands (ev): -55.7858 -55.7858 -28.7051 -28.7051 -20.0990 -20.0990 -19.9845 -19.9845 2.9698 2.9698 3.1714 3.1714 8.1062 8.1062 9.3792 9.3792 10.5909 10.5909 11.0389 11.0389 11.5449 11.5449 11.7579 11.7579 12.2917 12.2917 14.9507 14.9507 16.8045 16.8045 k = 0.5000 0.3180 0.1107 ( 2110 PWs) bands (ev): -55.7858 -55.7858 -28.7050 -28.7050 -20.0984 -20.0984 -19.9845 -19.9845 2.9531 2.9531 3.1444 3.1444 8.1515 8.1515 9.5085 9.5085 10.5366 10.5366 10.9961 10.9961 11.5729 11.5729 11.7545 11.7545 12.2596 12.2596 14.8853 14.8853 16.8583 16.8583 k = 0.5000 0.3180 0.0949 ( 2106 PWs) bands (ev): -55.7858 -55.7858 -28.7049 -28.7049 -20.0978 -20.0978 -19.9844 -19.9844 2.9386 2.9386 3.1209 3.1209 8.1929 8.1929 9.6368 9.6368 10.4874 10.4874 10.9418 10.9418 11.5962 11.5962 11.7519 11.7519 12.2336 12.2336 14.8286 14.8286 16.9155 16.9155 k = 0.5000 0.3180 0.0791 ( 2110 PWs) bands (ev): -55.7859 -55.7859 -28.7048 -28.7048 -20.0974 -20.0974 -19.9844 -19.9844 2.9264 2.9264 3.1009 3.1009 8.2296 8.2296 9.7635 9.7635 10.4443 10.4443 10.8764 10.8764 11.6144 11.6144 11.7510 11.7510 12.2133 12.2133 14.7807 14.7807 16.9751 16.9751 k = 0.5000 0.3180 0.0632 ( 2114 PWs) bands (ev): -55.7859 -55.7859 -28.7048 -28.7048 -20.0970 -20.0970 -19.9844 -19.9844 2.9165 2.9165 3.0845 3.0845 8.2610 8.2610 9.8872 9.8872 10.4086 10.4086 10.8006 10.8006 11.6275 11.6275 11.7518 11.7518 12.1981 12.1981 14.7416 14.7416 16.9821 16.9821 k = 0.5000 0.3180 0.0474 ( 2118 PWs) bands (ev): -55.7859 -55.7859 -28.7047 -28.7047 -20.0967 -20.0967 -19.9843 -19.9843 2.9087 2.9087 3.0717 3.0717 8.2863 8.2863 10.0061 10.0061 10.3822 10.3822 10.7159 10.7159 11.6362 11.6362 11.7539 11.7539 12.1872 12.1872 14.7113 14.7113 16.9652 16.9652 k = 0.5000 0.3180 0.0316 ( 2118 PWs) bands (ev): -55.7859 -55.7859 -28.7047 -28.7047 -20.0965 -20.0965 -19.9843 -19.9843 2.9032 2.9032 3.0625 3.0625 8.3049 8.3049 10.1147 10.1147 10.3695 10.3695 10.6245 10.6245 11.6413 11.6413 11.7565 11.7565 12.1800 12.1800 14.6896 14.6896 16.9528 16.9528 k = 0.5000 0.3180 0.0158 ( 2122 PWs) bands (ev): -55.7859 -55.7859 -28.7047 -28.7047 -20.0964 -20.0964 -19.9843 -19.9843 2.8999 2.8999 3.0570 3.0570 8.3163 8.3163 10.1976 10.1976 10.3832 10.3832 10.5302 10.5302 11.6439 11.6439 11.7585 11.7585 12.1759 12.1759 14.6767 14.6767 16.9453 16.9453 k = 0.5000 0.3180 0.0000 ( 2122 PWs) bands (ev): -55.7859 -55.7859 -28.7047 -28.7047 -20.0964 -20.0964 -19.9843 -19.9843 2.8988 2.8988 3.0552 3.0552 8.3201 8.3201 10.2278 10.2278 10.4369 10.4369 10.4468 10.4468 11.6447 11.6447 11.7593 11.7593 12.1746 12.1746 14.6723 14.6723 16.9428 16.9428 k = 0.0000 0.0000 0.9316 ( 2098 PWs) bands (ev): -55.7842 -55.7842 -28.7161 -28.7161 -20.1534 -20.1534 -19.9909 -19.9909 4.9256 4.9256 6.2100 6.2100 6.3809 6.3809 7.5476 7.5476 8.3209 8.3209 8.6554 8.6554 9.5873 9.5873 12.8713 12.8713 13.8313 13.8313 14.0927 14.0927 14.4989 14.4989 k = 0.0132 0.0084 0.9316 ( 2096 PWs) bands (ev): -55.7842 -55.7842 -28.7161 -28.7161 -20.1534 -20.1534 -19.9908 -19.9908 4.9264 4.9264 6.2100 6.2100 6.3808 6.3808 7.5340 7.5340 8.3371 8.3371 8.6573 8.6573 9.5855 9.5855 12.8685 12.8685 13.8302 13.8302 14.0714 14.0714 14.4959 14.4959 k = 0.0263 0.0167 0.9316 ( 2106 PWs) bands (ev): -55.7842 -55.7842 -28.7162 -28.7162 -20.1534 -20.1534 -19.9909 -19.9909 4.9288 4.9288 6.2100 6.2100 6.3806 6.3806 7.4963 7.4963 8.3823 8.3823 8.6634 8.6634 9.5799 9.5799 12.8598 12.8598 13.8258 13.8258 14.0133 14.0133 14.4928 14.4928 k = 0.0395 0.0251 0.9316 ( 2098 PWs) bands (ev): -55.7842 -55.7842 -28.7161 -28.7161 -20.1534 -20.1534 -19.9909 -19.9909 4.9329 4.9329 6.2101 6.2101 6.3802 6.3802 7.4415 7.4415 8.4484 8.4484 8.6747 8.6747 9.5707 9.5707 12.8444 12.8444 13.8123 13.8123 13.9365 13.9365 14.4972 14.4972 k = 0.0526 0.0335 0.9316 ( 2094 PWs) bands (ev): -55.7842 -55.7842 -28.7160 -28.7160 -20.1534 -20.1534 -19.9908 -19.9908 4.9384 4.9384 6.2102 6.2102 6.3796 6.3796 7.3765 7.3765 8.5253 8.5253 8.6943 8.6943 9.5580 9.5580 12.8208 12.8208 13.7653 13.7653 13.8784 13.8784 14.5108 14.5108 k = 0.0658 0.0418 0.9316 ( 2084 PWs) bands (ev): -55.7842 -55.7842 -28.7159 -28.7159 -20.1533 -20.1533 -19.9907 -19.9907 4.9454 4.9454 6.2103 6.2103 6.3789 6.3789 7.3062 7.3062 8.5984 8.5984 8.7318 8.7318 9.5420 9.5420 12.7868 12.7868 13.6767 13.6767 13.8582 13.8582 14.5327 14.5327 k = 0.0789 0.0502 0.9316 ( 2084 PWs) bands (ev): -55.7842 -55.7842 -28.7160 -28.7160 -20.1533 -20.1533 -19.9907 -19.9907 4.9537 4.9537 6.2104 6.2104 6.3781 6.3781 7.2340 7.2340 8.6496 8.6496 8.8018 8.8018 9.5230 9.5230 12.7396 12.7396 13.5794 13.5794 13.8513 13.8513 14.5616 14.5616 k = 0.0921 0.0586 0.9316 ( 2084 PWs) bands (ev): -55.7842 -55.7842 -28.7160 -28.7160 -20.1533 -20.1533 -19.9907 -19.9907 4.9631 4.9631 6.2106 6.2106 6.3772 6.3772 7.1621 7.1621 8.6819 8.6819 8.8988 8.8988 9.5011 9.5011 12.6767 12.6767 13.4895 13.4895 13.8480 13.8480 14.5968 14.5968 k = 0.1053 0.0670 0.9316 ( 2088 PWs) bands (ev): -55.7842 -55.7842 -28.7160 -28.7160 -20.1533 -20.1533 -19.9907 -19.9907 4.9734 4.9734 6.2108 6.2108 6.3763 6.3763 7.0921 7.0921 8.7078 8.7078 9.0084 9.0084 9.4768 9.4768 12.5966 12.5966 13.4131 13.4131 13.8459 13.8459 14.6373 14.6373 k = 0.1184 0.0753 0.9316 ( 2092 PWs) bands (ev): -55.7842 -55.7842 -28.7160 -28.7160 -20.1534 -20.1534 -19.9908 -19.9908 4.9845 4.9845 6.2111 6.2111 6.3753 6.3753 7.0249 7.0249 8.7324 8.7324 9.1238 9.1238 9.4507 9.4507 12.5002 12.5002 13.3519 13.3519 13.8444 13.8444 14.6825 14.6825 k = 0.1316 0.0837 0.9316 ( 2100 PWs) bands (ev): -55.7842 -55.7842 -28.7161 -28.7161 -20.1534 -20.1534 -19.9909 -19.9909 4.9960 4.9960 6.2114 6.2114 6.3743 6.3743 6.9615 6.9615 8.7575 8.7575 9.2405 9.2405 9.4244 9.4244 12.3903 12.3903 13.3051 13.3051 13.8433 13.8433 14.7320 14.7320 k = 0.1447 0.0921 0.9316 ( 2100 PWs) bands (ev): -55.7842 -55.7842 -28.7161 -28.7161 -20.1534 -20.1534 -19.9909 -19.9909 5.0077 5.0077 6.2117 6.2117 6.3733 6.3733 6.9027 6.9027 8.7835 8.7835 9.3426 9.3426 9.4124 9.4124 12.2712 12.2712 13.2699 13.2699 13.8425 13.8425 14.7853 14.7853 k = 0.1579 0.1004 0.9316 ( 2100 PWs) bands (ev): -55.7842 -55.7842 -28.7161 -28.7161 -20.1534 -20.1534 -19.9909 -19.9909 5.0193 5.0193 6.2120 6.2120 6.3723 6.3723 6.8489 6.8489 8.8106 8.8106 9.3474 9.3474 9.4958 9.4958 12.1472 12.1472 13.2439 13.2439 13.8417 13.8417 14.8418 14.8418 k = 0.1711 0.1088 0.9316 ( 2100 PWs) bands (ev): -55.7842 -55.7842 -28.7161 -28.7161 -20.1533 -20.1533 -19.9910 -19.9910 5.0304 5.0304 6.2124 6.2124 6.3714 6.3714 6.8009 6.8009 8.8385 8.8385 9.3189 9.3189 9.6095 9.6095 12.0229 12.0229 13.2245 13.2245 13.8412 13.8412 14.9011 14.9011 k = 0.1842 0.1172 0.9316 ( 2100 PWs) bands (ev): -55.7842 -55.7842 -28.7161 -28.7161 -20.1533 -20.1533 -19.9910 -19.9910 5.0406 5.0406 6.2128 6.2128 6.3706 6.3706 6.7592 6.7592 8.8668 8.8668 9.2876 9.2876 9.7208 9.7208 11.9023 11.9023 13.2103 13.2103 13.8407 13.8407 14.9627 14.9627 k = 0.1974 0.1255 0.9316 ( 2082 PWs) bands (ev): -55.7842 -55.7842 -28.7159 -28.7159 -20.1532 -20.1532 -19.9908 -19.9908 5.0495 5.0495 6.2132 6.2132 6.3699 6.3699 6.7242 6.7242 8.8950 8.8950 9.2564 9.2564 9.8245 9.8245 11.7901 11.7901 13.1999 13.1999 13.8404 13.8404 15.0262 15.0262 k = 0.2105 0.1339 0.9316 ( 2082 PWs) bands (ev): -55.7842 -55.7842 -28.7159 -28.7159 -20.1532 -20.1532 -19.9908 -19.9908 5.0569 5.0569 6.2136 6.2136 6.3693 6.3693 6.6964 6.6964 8.9217 8.9217 9.2270 9.2270 9.9156 9.9156 11.6918 11.6918 13.1925 13.1925 13.8401 13.8401 15.0911 15.0911 k = 0.2237 0.1423 0.9316 ( 2086 PWs) bands (ev): -55.7842 -55.7842 -28.7160 -28.7160 -20.1532 -20.1532 -19.9908 -19.9908 5.0625 5.0625 6.2139 6.2139 6.3688 6.3688 6.6763 6.6763 8.9451 8.9451 9.2015 9.2015 9.9881 9.9881 11.6138 11.6138 13.1876 13.1876 13.8399 13.8399 15.1568 15.1568 k = 0.2368 0.1507 0.9316 ( 2086 PWs) bands (ev): -55.7842 -55.7842 -28.7160 -28.7160 -20.1532 -20.1532 -19.9908 -19.9908 5.0659 5.0659 6.2140 6.2140 6.3686 6.3686 6.6641 6.6641 8.9620 8.9620 9.1834 9.1834 10.0355 10.0355 11.5630 11.5630 13.1848 13.1848 13.8398 13.8398 15.2225 15.2225 k = 0.2500 0.1590 0.9316 ( 2080 PWs) bands (ev): -55.7841 -55.7841 -28.7159 -28.7159 -20.1532 -20.1532 -19.9908 -19.9908 5.0670 5.0670 6.2141 6.2141 6.3685 6.3685 6.6600 6.6600 8.9683 8.9683 9.1767 9.1767 10.0521 10.0521 11.5452 11.5452 13.1839 13.1839 13.8398 13.8398 15.2753 15.2753 Writing output data file TaAl3.save init_run : 0.19s CPU 0.30s WALL ( 1 calls) electrons : 90.35s CPU 91.93s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 90.34s CPU 91.92s 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 : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 384 calls) cegterg : 79.17s CPU 80.29s WALL ( 422 calls) Called by sum_band: Called by *egterg: h_psi : 56.08s CPU 57.35s WALL ( 7197 calls) s_psi : 2.56s CPU 2.61s WALL ( 7197 calls) g_psi : 0.06s CPU 0.08s WALL ( 6391 calls) cdiaghg : 24.23s CPU 24.45s WALL ( 6775 calls) cegterg:over : 1.86s CPU 1.70s WALL ( 6391 calls) cegterg:upda : 1.19s CPU 1.24s WALL ( 6391 calls) cegterg:last : 0.70s CPU 0.69s WALL ( 1193 calls) cdiaghg:chol : 1.26s CPU 1.28s WALL ( 6775 calls) cdiaghg:inve : 0.63s CPU 0.58s WALL ( 6775 calls) cdiaghg:para : 1.47s CPU 1.43s WALL ( 13550 calls) Called by h_psi: h_psi:vloc : 50.66s CPU 51.78s WALL ( 7197 calls) h_psi:vnl : 5.37s CPU 5.52s WALL ( 7197 calls) add_vuspsi : 3.12s CPU 3.12s WALL ( 7197 calls) General routines calbec : 2.22s CPU 2.38s WALL ( 7197 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 47.88s CPU 49.03s WALL ( 491412 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.16s WALL ( 768 calls) Parallel routines fft_scatter : 14.60s CPU 15.16s WALL ( 491435 calls) PWSCF : 1m39.58s CPU 2m12.79s WALL This run was terminated on: 18:36:18 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=