Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:47:52 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: ./SrxCuAsx2.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 63 45 13 1260 733 118 Max 64 46 14 1263 752 119 Sum 2297 1621 479 45433 26625 4263 bravais-lattice index = 14 lattice parameter (alat) = 11.2183 a.u. unit-cell volume = 631.0873 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 263.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.218270 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.740223 celldm(5)= -0.740223 celldm(6)= 0.480446 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.480446 0.877024 0.000000 ) a(3) = ( -0.740223 -0.438512 0.509683 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.547814 0.981002 ) b(2) = ( 0.000000 1.140219 0.981002 ) b(3) = ( 0.000000 0.000000 1.962003 ) PseudoPot. # 1 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 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 As 5.00 74.92160 As( 1.00) Cu 11.00 63.54600 Cu( 1.00) Sr 10.00 87.62000 Sr( 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= 341 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 2) = ( 0.0000000 0.0000000 0.0188654), wk = 0.0029326 k( 3) = ( 0.0000000 0.0000000 0.0377308), wk = 0.0029326 k( 4) = ( 0.0000000 0.0000000 0.0565962), wk = 0.0029326 k( 5) = ( 0.0000000 0.0000000 0.0754617), wk = 0.0029326 k( 6) = ( 0.0000000 0.0000000 0.0943271), wk = 0.0029326 k( 7) = ( 0.0000000 0.0000000 0.1131925), wk = 0.0029326 k( 8) = ( 0.0000000 0.0000000 0.1320579), wk = 0.0029326 k( 9) = ( 0.0000000 0.0000000 0.1509233), wk = 0.0029326 k( 10) = ( 0.0000000 0.0000000 0.1697888), wk = 0.0029326 k( 11) = ( 0.0000000 0.0000000 0.1886542), wk = 0.0029326 k( 12) = ( 0.0000000 0.0000000 0.2075196), wk = 0.0029326 k( 13) = ( 0.0000000 0.0000000 0.2263850), wk = 0.0029326 k( 14) = ( 0.0000000 0.0000000 0.2452504), wk = 0.0029326 k( 15) = ( 0.0000000 0.0000000 0.2641158), wk = 0.0029326 k( 16) = ( 0.0000000 0.0000000 0.2829813), wk = 0.0029326 k( 17) = ( 0.0000000 0.0000000 0.3018467), wk = 0.0029326 k( 18) = ( 0.0000000 0.0000000 0.3207121), wk = 0.0029326 k( 19) = ( 0.0000000 0.0000000 0.3395775), wk = 0.0029326 k( 20) = ( 0.0000000 0.0000000 0.3584429), wk = 0.0029326 k( 21) = ( 0.0000000 0.0000000 0.3773083), wk = 0.0029326 k( 22) = ( 0.0000000 0.0000000 0.3961738), wk = 0.0029326 k( 23) = ( 0.0000000 0.0000000 0.4150392), wk = 0.0029326 k( 24) = ( 0.0000000 0.0000000 0.4339046), wk = 0.0029326 k( 25) = ( 0.0000000 0.0000000 0.4527700), wk = 0.0029326 k( 26) = ( 0.0000000 0.0000000 0.4716354), wk = 0.0029326 k( 27) = ( 0.0000000 0.0000000 0.4905009), wk = 0.0029326 k( 28) = ( 0.0000000 0.0000000 0.5093663), wk = 0.0029326 k( 29) = ( 0.0000000 0.0000000 0.5282317), wk = 0.0029326 k( 30) = ( 0.0000000 0.0000000 0.5470971), wk = 0.0029326 k( 31) = ( 0.0000000 0.0000000 0.5659625), wk = 0.0029326 k( 32) = ( 0.0000000 0.0000000 0.5848279), wk = 0.0029326 k( 33) = ( 0.0000000 0.0000000 0.6036934), wk = 0.0029326 k( 34) = ( 0.0000000 0.0000000 0.6225588), wk = 0.0029326 k( 35) = ( 0.0000000 0.0000000 0.6414242), wk = 0.0029326 k( 36) = ( 0.0000000 0.0000000 0.6602896), wk = 0.0029326 k( 37) = ( 0.0000000 0.0000000 0.6791550), wk = 0.0029326 k( 38) = ( 0.0000000 0.0000000 0.6980204), wk = 0.0029326 k( 39) = ( 0.0000000 0.0000000 0.7168859), wk = 0.0029326 k( 40) = ( 0.0000000 0.0000000 0.7357513), wk = 0.0029326 k( 41) = ( 0.0000000 0.0000000 0.7546167), wk = 0.0029326 k( 42) = ( 0.0000000 0.0000000 0.7734821), wk = 0.0029326 k( 43) = ( 0.0000000 0.0000000 0.7923475), wk = 0.0029326 k( 44) = ( 0.0000000 0.0000000 0.8112130), wk = 0.0029326 k( 45) = ( 0.0000000 0.0000000 0.8300784), wk = 0.0029326 k( 46) = ( 0.0000000 0.0000000 0.8489438), wk = 0.0029326 k( 47) = ( 0.0000000 0.0000000 0.8678092), wk = 0.0029326 k( 48) = ( 0.0000000 0.0000000 0.8866746), wk = 0.0029326 k( 49) = ( 0.0000000 0.0000000 0.9055400), wk = 0.0029326 k( 50) = ( 0.0000000 0.0000000 0.9244055), wk = 0.0029326 k( 51) = ( 0.0000000 0.0000000 0.9432709), wk = 0.0029326 k( 52) = ( 0.0000000 0.0000000 0.9621363), wk = 0.0029326 k( 53) = ( 0.0000000 0.0000000 0.9810017), wk = 0.0029326 k( 54) = ( 0.0000000 0.0000000 0.9810017), wk = 0.0029326 k( 55) = ( -0.0087736 0.0148101 0.9810017), wk = 0.0029326 k( 56) = ( -0.0175472 0.0296203 0.9810017), wk = 0.0029326 k( 57) = ( -0.0263208 0.0444304 0.9810017), wk = 0.0029326 k( 58) = ( -0.0350944 0.0592405 0.9810017), wk = 0.0029326 k( 59) = ( -0.0438680 0.0740507 0.9810017), wk = 0.0029326 k( 60) = ( -0.0526416 0.0888608 0.9810017), wk = 0.0029326 k( 61) = ( -0.0614152 0.1036709 0.9810017), wk = 0.0029326 k( 62) = ( -0.0701888 0.1184811 0.9810017), wk = 0.0029326 k( 63) = ( -0.0789624 0.1332912 0.9810017), wk = 0.0029326 k( 64) = ( -0.0877360 0.1481013 0.9810017), wk = 0.0029326 k( 65) = ( -0.0877360 0.1481013 0.9810017), wk = 0.0029326 k( 66) = ( -0.0943854 0.1593258 0.9679555), wk = 0.0029326 k( 67) = ( -0.1010348 0.1705502 0.9549093), wk = 0.0029326 k( 68) = ( -0.1076843 0.1817746 0.9418632), wk = 0.0029326 k( 69) = ( -0.1143337 0.1929991 0.9288170), wk = 0.0029326 k( 70) = ( -0.1209831 0.2042235 0.9157708), wk = 0.0029326 k( 71) = ( -0.1276325 0.2154480 0.9027246), wk = 0.0029326 k( 72) = ( -0.1342819 0.2266724 0.8896784), wk = 0.0029326 k( 73) = ( -0.1409314 0.2378969 0.8766323), wk = 0.0029326 k( 74) = ( -0.1475808 0.2491213 0.8635861), wk = 0.0029326 k( 75) = ( -0.1542302 0.2603457 0.8505399), wk = 0.0029326 k( 76) = ( -0.1608796 0.2715702 0.8374937), wk = 0.0029326 k( 77) = ( -0.1675290 0.2827946 0.8244475), wk = 0.0029326 k( 78) = ( -0.1741785 0.2940191 0.8114013), wk = 0.0029326 k( 79) = ( -0.1808279 0.3052435 0.7983551), wk = 0.0029326 k( 80) = ( -0.1874773 0.3164680 0.7853090), wk = 0.0029326 k( 81) = ( -0.1941267 0.3276924 0.7722628), wk = 0.0029326 k( 82) = ( -0.2007761 0.3389169 0.7592166), wk = 0.0029326 k( 83) = ( -0.2074255 0.3501413 0.7461704), wk = 0.0029326 k( 84) = ( -0.2140750 0.3613657 0.7331242), wk = 0.0029326 k( 85) = ( -0.2207244 0.3725902 0.7200780), wk = 0.0029326 k( 86) = ( -0.2273738 0.3838146 0.7070319), wk = 0.0029326 k( 87) = ( -0.2340232 0.3950391 0.6939857), wk = 0.0029326 k( 88) = ( -0.2406726 0.4062635 0.6809395), wk = 0.0029326 k( 89) = ( -0.2473221 0.4174880 0.6678933), wk = 0.0029326 k( 90) = ( -0.2539715 0.4287124 0.6548471), wk = 0.0029326 k( 91) = ( -0.2606209 0.4399368 0.6418009), wk = 0.0029326 k( 92) = ( -0.2672703 0.4511613 0.6287548), wk = 0.0029326 k( 93) = ( -0.2739197 0.4623857 0.6157086), wk = 0.0029326 k( 94) = ( -0.2805692 0.4736102 0.6026624), wk = 0.0029326 k( 95) = ( -0.2872186 0.4848346 0.5896162), wk = 0.0029326 k( 96) = ( -0.2938680 0.4960591 0.5765700), wk = 0.0029326 k( 97) = ( -0.2938680 0.4960591 0.5765700), wk = 0.0029326 k( 98) = ( -0.2871892 0.4847850 0.5634662), wk = 0.0029326 k( 99) = ( -0.2805104 0.4735109 0.5503623), wk = 0.0029326 k( 100) = ( -0.2738315 0.4622369 0.5372584), wk = 0.0029326 k( 101) = ( -0.2671527 0.4509628 0.5241546), wk = 0.0029326 k( 102) = ( -0.2604739 0.4396887 0.5110507), wk = 0.0029326 k( 103) = ( -0.2537951 0.4284146 0.4979468), wk = 0.0029326 k( 104) = ( -0.2471163 0.4171406 0.4848430), wk = 0.0029326 k( 105) = ( -0.2404374 0.4058665 0.4717391), wk = 0.0029326 k( 106) = ( -0.2337586 0.3945924 0.4586353), wk = 0.0029326 k( 107) = ( -0.2270798 0.3833184 0.4455314), wk = 0.0029326 k( 108) = ( -0.2204010 0.3720443 0.4324275), wk = 0.0029326 k( 109) = ( -0.2137222 0.3607702 0.4193236), wk = 0.0029326 k( 110) = ( -0.2070434 0.3494961 0.4062198), wk = 0.0029326 k( 111) = ( -0.2003646 0.3382221 0.3931159), wk = 0.0029326 k( 112) = ( -0.1936857 0.3269480 0.3800121), wk = 0.0029326 k( 113) = ( -0.1870069 0.3156739 0.3669082), wk = 0.0029326 k( 114) = ( -0.1803281 0.3043999 0.3538043), wk = 0.0029326 k( 115) = ( -0.1736493 0.2931258 0.3407005), wk = 0.0029326 k( 116) = ( -0.1669704 0.2818517 0.3275966), wk = 0.0029326 k( 117) = ( -0.1602916 0.2705777 0.3144927), wk = 0.0029326 k( 118) = ( -0.1536128 0.2593036 0.3013889), wk = 0.0029326 k( 119) = ( -0.1469340 0.2480295 0.2882850), wk = 0.0029326 k( 120) = ( -0.1402552 0.2367555 0.2751811), wk = 0.0029326 k( 121) = ( -0.1335764 0.2254814 0.2620773), wk = 0.0029326 k( 122) = ( -0.1268975 0.2142073 0.2489734), wk = 0.0029326 k( 123) = ( -0.1202187 0.2029333 0.2358696), wk = 0.0029326 k( 124) = ( -0.1135399 0.1916592 0.2227657), wk = 0.0029326 k( 125) = ( -0.1068611 0.1803851 0.2096618), wk = 0.0029326 k( 126) = ( -0.1001823 0.1691110 0.1965580), wk = 0.0029326 k( 127) = ( -0.0935035 0.1578370 0.1834541), wk = 0.0029326 k( 128) = ( -0.0868246 0.1465629 0.1703502), wk = 0.0029326 k( 129) = ( -0.0801458 0.1352888 0.1572464), wk = 0.0029326 k( 130) = ( -0.0734670 0.1240148 0.1441425), wk = 0.0029326 k( 131) = ( -0.0667882 0.1127407 0.1310386), wk = 0.0029326 k( 132) = ( -0.0601094 0.1014666 0.1179348), wk = 0.0029326 k( 133) = ( -0.0534306 0.0901926 0.1048309), wk = 0.0029326 k( 134) = ( -0.0467517 0.0789185 0.0917271), wk = 0.0029326 k( 135) = ( -0.0400729 0.0676444 0.0786232), wk = 0.0029326 k( 136) = ( -0.0333941 0.0563703 0.0655193), wk = 0.0029326 k( 137) = ( -0.0267153 0.0450963 0.0524155), wk = 0.0029326 k( 138) = ( -0.0200365 0.0338222 0.0393116), wk = 0.0029326 k( 139) = ( -0.0133576 0.0225481 0.0262077), wk = 0.0029326 k( 140) = ( -0.0066788 0.0112741 0.0131039), wk = 0.0029326 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 143) = ( 0.0161290 0.0095549 0.0000000), wk = 0.0029326 k( 144) = ( 0.0322581 0.0191098 0.0000000), wk = 0.0029326 k( 145) = ( 0.0483871 0.0286648 0.0000000), wk = 0.0029326 k( 146) = ( 0.0645161 0.0382197 0.0000000), wk = 0.0029326 k( 147) = ( 0.0806452 0.0477746 0.0000000), wk = 0.0029326 k( 148) = ( 0.0967742 0.0573295 0.0000000), wk = 0.0029326 k( 149) = ( 0.1129032 0.0668845 0.0000000), wk = 0.0029326 k( 150) = ( 0.1290323 0.0764394 0.0000000), wk = 0.0029326 k( 151) = ( 0.1451613 0.0859943 0.0000000), wk = 0.0029326 k( 152) = ( 0.1612903 0.0955492 0.0000000), wk = 0.0029326 k( 153) = ( 0.1774194 0.1051042 0.0000000), wk = 0.0029326 k( 154) = ( 0.1935484 0.1146591 0.0000000), wk = 0.0029326 k( 155) = ( 0.2096774 0.1242140 0.0000000), wk = 0.0029326 k( 156) = ( 0.2258064 0.1337689 0.0000000), wk = 0.0029326 k( 157) = ( 0.2419355 0.1433239 0.0000000), wk = 0.0029326 k( 158) = ( 0.2580645 0.1528788 0.0000000), wk = 0.0029326 k( 159) = ( 0.2741936 0.1624337 0.0000000), wk = 0.0029326 k( 160) = ( 0.2903226 0.1719886 0.0000000), wk = 0.0029326 k( 161) = ( 0.3064516 0.1815435 0.0000000), wk = 0.0029326 k( 162) = ( 0.3225807 0.1910985 0.0000000), wk = 0.0029326 k( 163) = ( 0.3387097 0.2006534 0.0000000), wk = 0.0029326 k( 164) = ( 0.3548387 0.2102083 0.0000000), wk = 0.0029326 k( 165) = ( 0.3709677 0.2197632 0.0000000), wk = 0.0029326 k( 166) = ( 0.3870968 0.2293182 0.0000000), wk = 0.0029326 k( 167) = ( 0.4032258 0.2388731 0.0000000), wk = 0.0029326 k( 168) = ( 0.4193548 0.2484280 0.0000000), wk = 0.0029326 k( 169) = ( 0.4354839 0.2579829 0.0000000), wk = 0.0029326 k( 170) = ( 0.4516129 0.2675379 0.0000000), wk = 0.0029326 k( 171) = ( 0.4677419 0.2770928 0.0000000), wk = 0.0029326 k( 172) = ( 0.4838710 0.2866477 0.0000000), wk = 0.0029326 k( 173) = ( 0.5000000 0.2962026 0.0000000), wk = 0.0029326 k( 174) = ( 0.5000000 0.2962026 0.0000000), wk = 0.0029326 k( 175) = ( 0.4933506 0.3074271 0.0130462), wk = 0.0029326 k( 176) = ( 0.4867012 0.3186515 0.0260924), wk = 0.0029326 k( 177) = ( 0.4800517 0.3298760 0.0391386), wk = 0.0029326 k( 178) = ( 0.4734023 0.3411004 0.0521847), wk = 0.0029326 k( 179) = ( 0.4667529 0.3523249 0.0652309), wk = 0.0029326 k( 180) = ( 0.4601035 0.3635493 0.0782771), wk = 0.0029326 k( 181) = ( 0.4534541 0.3747737 0.0913233), wk = 0.0029326 k( 182) = ( 0.4468047 0.3859982 0.1043695), wk = 0.0029326 k( 183) = ( 0.4401552 0.3972226 0.1174156), wk = 0.0029326 k( 184) = ( 0.4335058 0.4084471 0.1304618), wk = 0.0029326 k( 185) = ( 0.4268564 0.4196715 0.1435080), wk = 0.0029326 k( 186) = ( 0.4202070 0.4308960 0.1565542), wk = 0.0029326 k( 187) = ( 0.4135575 0.4421204 0.1696004), wk = 0.0029326 k( 188) = ( 0.4069081 0.4533448 0.1826466), wk = 0.0029326 k( 189) = ( 0.4002587 0.4645693 0.1956928), wk = 0.0029326 k( 190) = ( 0.3936093 0.4757937 0.2087389), wk = 0.0029326 k( 191) = ( 0.3869599 0.4870182 0.2217851), wk = 0.0029326 k( 192) = ( 0.3803105 0.4982426 0.2348313), wk = 0.0029326 k( 193) = ( 0.3736610 0.5094671 0.2478775), wk = 0.0029326 k( 194) = ( 0.3670116 0.5206915 0.2609237), wk = 0.0029326 k( 195) = ( 0.3603622 0.5319159 0.2739699), wk = 0.0029326 k( 196) = ( 0.3537128 0.5431404 0.2870160), wk = 0.0029326 k( 197) = ( 0.3470634 0.5543648 0.3000622), wk = 0.0029326 k( 198) = ( 0.3404139 0.5655893 0.3131084), wk = 0.0029326 k( 199) = ( 0.3337645 0.5768137 0.3261546), wk = 0.0029326 k( 200) = ( 0.3271151 0.5880382 0.3392008), wk = 0.0029326 k( 201) = ( 0.3204657 0.5992626 0.3522470), wk = 0.0029326 k( 202) = ( 0.3138163 0.6104870 0.3652931), wk = 0.0029326 k( 203) = ( 0.3071668 0.6217115 0.3783393), wk = 0.0029326 k( 204) = ( 0.3005174 0.6329359 0.3913855), wk = 0.0029326 k( 205) = ( 0.2938680 0.6441604 0.4044317), wk = 0.0029326 k( 206) = ( 0.2938680 0.6441604 0.4044317), wk = 0.0029326 k( 207) = ( 0.2765817 0.6398045 0.4094946), wk = 0.0029326 k( 208) = ( 0.2592953 0.6354485 0.4145575), wk = 0.0029326 k( 209) = ( 0.2420089 0.6310926 0.4196204), wk = 0.0029326 k( 210) = ( 0.2247226 0.6267367 0.4246833), wk = 0.0029326 k( 211) = ( 0.2074362 0.6223808 0.4297461), wk = 0.0029326 k( 212) = ( 0.1901499 0.6180249 0.4348090), wk = 0.0029326 k( 213) = ( 0.1728635 0.6136689 0.4398719), wk = 0.0029326 k( 214) = ( 0.1555772 0.6093130 0.4449348), wk = 0.0029326 k( 215) = ( 0.1382908 0.6049571 0.4499977), wk = 0.0029326 k( 216) = ( 0.1210045 0.6006012 0.4550606), wk = 0.0029326 k( 217) = ( 0.1037181 0.5962452 0.4601235), wk = 0.0029326 k( 218) = ( 0.0864318 0.5918893 0.4651864), wk = 0.0029326 k( 219) = ( 0.0691454 0.5875334 0.4702493), wk = 0.0029326 k( 220) = ( 0.0518591 0.5831775 0.4753122), wk = 0.0029326 k( 221) = ( 0.0345727 0.5788216 0.4803751), wk = 0.0029326 k( 222) = ( 0.0172863 0.5744656 0.4854380), wk = 0.0029326 k( 223) = ( 0.0000000 0.5701097 0.4905009), wk = 0.0029326 k( 224) = ( 0.0000000 0.5701097 0.4905009), wk = 0.0029326 k( 225) = ( 0.0067568 0.5587041 0.5037576), wk = 0.0029326 k( 226) = ( 0.0135135 0.5472985 0.5170144), wk = 0.0029326 k( 227) = ( 0.0202703 0.5358928 0.5302712), wk = 0.0029326 k( 228) = ( 0.0270270 0.5244872 0.5435280), wk = 0.0029326 k( 229) = ( 0.0337838 0.5130816 0.5567847), wk = 0.0029326 k( 230) = ( 0.0405405 0.5016759 0.5700415), wk = 0.0029326 k( 231) = ( 0.0472973 0.4902703 0.5832983), wk = 0.0029326 k( 232) = ( 0.0540540 0.4788647 0.5965551), wk = 0.0029326 k( 233) = ( 0.0608108 0.4674590 0.6098119), wk = 0.0029326 k( 234) = ( 0.0675676 0.4560534 0.6230687), wk = 0.0029326 k( 235) = ( 0.0743243 0.4446478 0.6363254), wk = 0.0029326 k( 236) = ( 0.0810811 0.4332421 0.6495822), wk = 0.0029326 k( 237) = ( 0.0878378 0.4218365 0.6628390), wk = 0.0029326 k( 238) = ( 0.0945946 0.4104309 0.6760958), wk = 0.0029326 k( 239) = ( 0.1013514 0.3990252 0.6893526), wk = 0.0029326 k( 240) = ( 0.1081081 0.3876196 0.7026093), wk = 0.0029326 k( 241) = ( 0.1148649 0.3762140 0.7158661), wk = 0.0029326 k( 242) = ( 0.1216216 0.3648083 0.7291229), wk = 0.0029326 k( 243) = ( 0.1283784 0.3534027 0.7423797), wk = 0.0029326 k( 244) = ( 0.1351351 0.3419971 0.7556365), wk = 0.0029326 k( 245) = ( 0.1418919 0.3305914 0.7688932), wk = 0.0029326 k( 246) = ( 0.1486486 0.3191858 0.7821500), wk = 0.0029326 k( 247) = ( 0.1554054 0.3077802 0.7954068), wk = 0.0029326 k( 248) = ( 0.1621622 0.2963745 0.8086636), wk = 0.0029326 k( 249) = ( 0.1689189 0.2849689 0.8219204), wk = 0.0029326 k( 250) = ( 0.1756757 0.2735633 0.8351771), wk = 0.0029326 k( 251) = ( 0.1824324 0.2621576 0.8484339), wk = 0.0029326 k( 252) = ( 0.1891892 0.2507520 0.8616907), wk = 0.0029326 k( 253) = ( 0.1959460 0.2393464 0.8749475), wk = 0.0029326 k( 254) = ( 0.2027027 0.2279407 0.8882042), wk = 0.0029326 k( 255) = ( 0.2094595 0.2165351 0.9014610), wk = 0.0029326 k( 256) = ( 0.2162162 0.2051295 0.9147178), wk = 0.0029326 k( 257) = ( 0.2229730 0.1937239 0.9279746), wk = 0.0029326 k( 258) = ( 0.2297297 0.1823182 0.9412314), wk = 0.0029326 k( 259) = ( 0.2364865 0.1709126 0.9544882), wk = 0.0029326 k( 260) = ( 0.2432432 0.1595070 0.9677449), wk = 0.0029326 k( 261) = ( 0.2500000 0.1481013 0.9810017), wk = 0.0029326 k( 262) = ( 0.2500000 0.1481013 0.9810017), wk = 0.0029326 k( 263) = ( 0.2638889 0.1563292 0.9714385), wk = 0.0029326 k( 264) = ( 0.2777778 0.1645570 0.9618752), wk = 0.0029326 k( 265) = ( 0.2916667 0.1727849 0.9523120), wk = 0.0029326 k( 266) = ( 0.3055556 0.1810127 0.9427488), wk = 0.0029326 k( 267) = ( 0.3194444 0.1892406 0.9331855), wk = 0.0029326 k( 268) = ( 0.3333333 0.1974684 0.9236223), wk = 0.0029326 k( 269) = ( 0.3472222 0.2056963 0.9140590), wk = 0.0029326 k( 270) = ( 0.3611111 0.2139241 0.9044958), wk = 0.0029326 k( 271) = ( 0.3750000 0.2221520 0.8949325), wk = 0.0029326 k( 272) = ( 0.3888889 0.2303798 0.8853693), wk = 0.0029326 k( 273) = ( 0.4027778 0.2386077 0.8758061), wk = 0.0029326 k( 274) = ( 0.4166667 0.2468355 0.8662428), wk = 0.0029326 k( 275) = ( 0.4305556 0.2550634 0.8566796), wk = 0.0029326 k( 276) = ( 0.4444444 0.2632912 0.8471163), wk = 0.0029326 k( 277) = ( 0.4583333 0.2715191 0.8375531), wk = 0.0029326 k( 278) = ( 0.4722222 0.2797469 0.8279899), wk = 0.0029326 k( 279) = ( 0.4861111 0.2879748 0.8184266), wk = 0.0029326 k( 280) = ( 0.5000000 0.2962026 0.8088634), wk = 0.0029326 k( 281) = ( 0.5000000 0.2962026 0.8088634), wk = 0.0029326 k( 282) = ( 0.5000000 0.2962026 0.7900526), wk = 0.0029326 k( 283) = ( 0.5000000 0.2962026 0.7712418), wk = 0.0029326 k( 284) = ( 0.5000000 0.2962026 0.7524310), wk = 0.0029326 k( 285) = ( 0.5000000 0.2962026 0.7336203), wk = 0.0029326 k( 286) = ( 0.5000000 0.2962026 0.7148095), wk = 0.0029326 k( 287) = ( 0.5000000 0.2962026 0.6959987), wk = 0.0029326 k( 288) = ( 0.5000000 0.2962026 0.6771879), wk = 0.0029326 k( 289) = ( 0.5000000 0.2962026 0.6583772), wk = 0.0029326 k( 290) = ( 0.5000000 0.2962026 0.6395664), wk = 0.0029326 k( 291) = ( 0.5000000 0.2962026 0.6207556), wk = 0.0029326 k( 292) = ( 0.5000000 0.2962026 0.6019448), wk = 0.0029326 k( 293) = ( 0.5000000 0.2962026 0.5831341), wk = 0.0029326 k( 294) = ( 0.5000000 0.2962026 0.5643233), wk = 0.0029326 k( 295) = ( 0.5000000 0.2962026 0.5455125), wk = 0.0029326 k( 296) = ( 0.5000000 0.2962026 0.5267017), wk = 0.0029326 k( 297) = ( 0.5000000 0.2962026 0.5078910), wk = 0.0029326 k( 298) = ( 0.5000000 0.2962026 0.4890802), wk = 0.0029326 k( 299) = ( 0.5000000 0.2962026 0.4702694), wk = 0.0029326 k( 300) = ( 0.5000000 0.2962026 0.4514586), wk = 0.0029326 k( 301) = ( 0.5000000 0.2962026 0.4326478), wk = 0.0029326 k( 302) = ( 0.5000000 0.2962026 0.4138371), wk = 0.0029326 k( 303) = ( 0.5000000 0.2962026 0.3950263), wk = 0.0029326 k( 304) = ( 0.5000000 0.2962026 0.3762155), wk = 0.0029326 k( 305) = ( 0.5000000 0.2962026 0.3574047), wk = 0.0029326 k( 306) = ( 0.5000000 0.2962026 0.3385940), wk = 0.0029326 k( 307) = ( 0.5000000 0.2962026 0.3197832), wk = 0.0029326 k( 308) = ( 0.5000000 0.2962026 0.3009724), wk = 0.0029326 k( 309) = ( 0.5000000 0.2962026 0.2821616), wk = 0.0029326 k( 310) = ( 0.5000000 0.2962026 0.2633509), wk = 0.0029326 k( 311) = ( 0.5000000 0.2962026 0.2445401), wk = 0.0029326 k( 312) = ( 0.5000000 0.2962026 0.2257293), wk = 0.0029326 k( 313) = ( 0.5000000 0.2962026 0.2069185), wk = 0.0029326 k( 314) = ( 0.5000000 0.2962026 0.1881078), wk = 0.0029326 k( 315) = ( 0.5000000 0.2962026 0.1692970), wk = 0.0029326 k( 316) = ( 0.5000000 0.2962026 0.1504862), wk = 0.0029326 k( 317) = ( 0.5000000 0.2962026 0.1316754), wk = 0.0029326 k( 318) = ( 0.5000000 0.2962026 0.1128647), wk = 0.0029326 k( 319) = ( 0.5000000 0.2962026 0.0940539), wk = 0.0029326 k( 320) = ( 0.5000000 0.2962026 0.0752431), wk = 0.0029326 k( 321) = ( 0.5000000 0.2962026 0.0564323), wk = 0.0029326 k( 322) = ( 0.5000000 0.2962026 0.0376216), wk = 0.0029326 k( 323) = ( 0.5000000 0.2962026 0.0188108), wk = 0.0029326 k( 324) = ( 0.5000000 0.2962026 0.0000000), wk = 0.0029326 k( 325) = ( 0.0000000 0.0000000 0.9810017), wk = 0.0029326 k( 326) = ( 0.0156250 0.0092563 0.9810017), wk = 0.0029326 k( 327) = ( 0.0312500 0.0185127 0.9810017), wk = 0.0029326 k( 328) = ( 0.0468750 0.0277690 0.9810017), wk = 0.0029326 k( 329) = ( 0.0625000 0.0370253 0.9810017), wk = 0.0029326 k( 330) = ( 0.0781250 0.0462817 0.9810017), wk = 0.0029326 k( 331) = ( 0.0937500 0.0555380 0.9810017), wk = 0.0029326 k( 332) = ( 0.1093750 0.0647943 0.9810017), wk = 0.0029326 k( 333) = ( 0.1250000 0.0740507 0.9810017), wk = 0.0029326 k( 334) = ( 0.1406250 0.0833070 0.9810017), wk = 0.0029326 k( 335) = ( 0.1562500 0.0925633 0.9810017), wk = 0.0029326 k( 336) = ( 0.1718750 0.1018197 0.9810017), wk = 0.0029326 k( 337) = ( 0.1875000 0.1110760 0.9810017), wk = 0.0029326 k( 338) = ( 0.2031250 0.1203323 0.9810017), wk = 0.0029326 k( 339) = ( 0.2187500 0.1295887 0.9810017), wk = 0.0029326 k( 340) = ( 0.2343750 0.1388450 0.9810017), wk = 0.0029326 k( 341) = ( 0.2500000 0.1481013 0.9810017), wk = 0.0029326 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 2) = ( 0.0000000 0.0000000 0.0096154), wk = 0.0029326 k( 3) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0029326 k( 4) = ( 0.0000000 0.0000000 0.0288462), wk = 0.0029326 k( 5) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0029326 k( 6) = ( 0.0000000 0.0000000 0.0480769), wk = 0.0029326 k( 7) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0029326 k( 8) = ( 0.0000000 0.0000000 0.0673077), wk = 0.0029326 k( 9) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0029326 k( 10) = ( 0.0000000 0.0000000 0.0865385), wk = 0.0029326 k( 11) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0029326 k( 12) = ( 0.0000000 0.0000000 0.1057692), wk = 0.0029326 k( 13) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0029326 k( 14) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0029326 k( 15) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0029326 k( 16) = ( 0.0000000 0.0000000 0.1442308), wk = 0.0029326 k( 17) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0029326 k( 18) = ( 0.0000000 0.0000000 0.1634615), wk = 0.0029326 k( 19) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0029326 k( 20) = ( 0.0000000 0.0000000 0.1826923), wk = 0.0029326 k( 21) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0029326 k( 22) = ( 0.0000000 0.0000000 0.2019231), wk = 0.0029326 k( 23) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0029326 k( 24) = ( 0.0000000 0.0000000 0.2211539), wk = 0.0029326 k( 25) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0029326 k( 26) = ( 0.0000000 0.0000000 0.2403846), wk = 0.0029326 k( 27) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029326 k( 28) = ( 0.0000000 0.0000000 0.2596154), wk = 0.0029326 k( 29) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0029326 k( 30) = ( 0.0000000 0.0000000 0.2788462), wk = 0.0029326 k( 31) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0029326 k( 32) = ( 0.0000000 0.0000000 0.2980769), wk = 0.0029326 k( 33) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0029326 k( 34) = ( 0.0000000 0.0000000 0.3173077), wk = 0.0029326 k( 35) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0029326 k( 36) = ( 0.0000000 0.0000000 0.3365385), wk = 0.0029326 k( 37) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0029326 k( 38) = ( 0.0000000 0.0000000 0.3557692), wk = 0.0029326 k( 39) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0029326 k( 40) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0029326 k( 41) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0029326 k( 42) = ( 0.0000000 0.0000000 0.3942308), wk = 0.0029326 k( 43) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0029326 k( 44) = ( 0.0000000 0.0000000 0.4134615), wk = 0.0029326 k( 45) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0029326 k( 46) = ( 0.0000000 0.0000000 0.4326923), wk = 0.0029326 k( 47) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0029326 k( 48) = ( 0.0000000 0.0000000 0.4519231), wk = 0.0029326 k( 49) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0029326 k( 50) = ( 0.0000000 0.0000000 0.4711538), wk = 0.0029326 k( 51) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0029326 k( 52) = ( 0.0000000 0.0000000 0.4903846), wk = 0.0029326 k( 53) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029326 k( 54) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029326 k( 55) = ( -0.0087736 0.0087736 0.5000000), wk = 0.0029326 k( 56) = ( -0.0175472 0.0175472 0.5000000), wk = 0.0029326 k( 57) = ( -0.0263208 0.0263208 0.5000000), wk = 0.0029326 k( 58) = ( -0.0350944 0.0350944 0.5000000), wk = 0.0029326 k( 59) = ( -0.0438680 0.0438680 0.5000000), wk = 0.0029326 k( 60) = ( -0.0526416 0.0526416 0.5000000), wk = 0.0029326 k( 61) = ( -0.0614152 0.0614152 0.5000000), wk = 0.0029326 k( 62) = ( -0.0701888 0.0701888 0.5000000), wk = 0.0029326 k( 63) = ( -0.0789624 0.0789624 0.5000000), wk = 0.0029326 k( 64) = ( -0.0877360 0.0877360 0.5000000), wk = 0.0029326 k( 65) = ( -0.0877360 0.0877360 0.5000000), wk = 0.0029326 k( 66) = ( -0.0943854 0.0943854 0.4933506), wk = 0.0029326 k( 67) = ( -0.1010348 0.1010348 0.4867012), wk = 0.0029326 k( 68) = ( -0.1076843 0.1076843 0.4800517), wk = 0.0029326 k( 69) = ( -0.1143337 0.1143337 0.4734023), wk = 0.0029326 k( 70) = ( -0.1209831 0.1209831 0.4667529), wk = 0.0029326 k( 71) = ( -0.1276325 0.1276325 0.4601035), wk = 0.0029326 k( 72) = ( -0.1342819 0.1342819 0.4534541), wk = 0.0029326 k( 73) = ( -0.1409314 0.1409314 0.4468047), wk = 0.0029326 k( 74) = ( -0.1475808 0.1475808 0.4401552), wk = 0.0029326 k( 75) = ( -0.1542302 0.1542302 0.4335058), wk = 0.0029326 k( 76) = ( -0.1608796 0.1608796 0.4268564), wk = 0.0029326 k( 77) = ( -0.1675290 0.1675290 0.4202070), wk = 0.0029326 k( 78) = ( -0.1741785 0.1741784 0.4135575), wk = 0.0029326 k( 79) = ( -0.1808279 0.1808279 0.4069081), wk = 0.0029326 k( 80) = ( -0.1874773 0.1874773 0.4002587), wk = 0.0029326 k( 81) = ( -0.1941267 0.1941267 0.3936093), wk = 0.0029326 k( 82) = ( -0.2007761 0.2007761 0.3869599), wk = 0.0029326 k( 83) = ( -0.2074255 0.2074256 0.3803105), wk = 0.0029326 k( 84) = ( -0.2140750 0.2140750 0.3736610), wk = 0.0029326 k( 85) = ( -0.2207244 0.2207244 0.3670116), wk = 0.0029326 k( 86) = ( -0.2273738 0.2273738 0.3603622), wk = 0.0029326 k( 87) = ( -0.2340232 0.2340232 0.3537128), wk = 0.0029326 k( 88) = ( -0.2406726 0.2406726 0.3470634), wk = 0.0029326 k( 89) = ( -0.2473221 0.2473221 0.3404139), wk = 0.0029326 k( 90) = ( -0.2539715 0.2539715 0.3337645), wk = 0.0029326 k( 91) = ( -0.2606209 0.2606209 0.3271151), wk = 0.0029326 k( 92) = ( -0.2672703 0.2672703 0.3204657), wk = 0.0029326 k( 93) = ( -0.2739197 0.2739197 0.3138163), wk = 0.0029326 k( 94) = ( -0.2805692 0.2805692 0.3071668), wk = 0.0029326 k( 95) = ( -0.2872186 0.2872186 0.3005174), wk = 0.0029326 k( 96) = ( -0.2938680 0.2938680 0.2938680), wk = 0.0029326 k( 97) = ( -0.2938680 0.2938680 0.2938680), wk = 0.0029326 k( 98) = ( -0.2871892 0.2871892 0.2871892), wk = 0.0029326 k( 99) = ( -0.2805104 0.2805104 0.2805104), wk = 0.0029326 k( 100) = ( -0.2738315 0.2738315 0.2738315), wk = 0.0029326 k( 101) = ( -0.2671527 0.2671527 0.2671527), wk = 0.0029326 k( 102) = ( -0.2604739 0.2604739 0.2604739), wk = 0.0029326 k( 103) = ( -0.2537951 0.2537951 0.2537951), wk = 0.0029326 k( 104) = ( -0.2471163 0.2471163 0.2471163), wk = 0.0029326 k( 105) = ( -0.2404374 0.2404374 0.2404375), wk = 0.0029326 k( 106) = ( -0.2337586 0.2337586 0.2337586), wk = 0.0029326 k( 107) = ( -0.2270798 0.2270798 0.2270798), wk = 0.0029326 k( 108) = ( -0.2204010 0.2204010 0.2204010), wk = 0.0029326 k( 109) = ( -0.2137222 0.2137222 0.2137222), wk = 0.0029326 k( 110) = ( -0.2070434 0.2070434 0.2070434), wk = 0.0029326 k( 111) = ( -0.2003646 0.2003646 0.2003646), wk = 0.0029326 k( 112) = ( -0.1936857 0.1936857 0.1936857), wk = 0.0029326 k( 113) = ( -0.1870069 0.1870069 0.1870069), wk = 0.0029326 k( 114) = ( -0.1803281 0.1803281 0.1803281), wk = 0.0029326 k( 115) = ( -0.1736493 0.1736493 0.1736493), wk = 0.0029326 k( 116) = ( -0.1669704 0.1669705 0.1669704), wk = 0.0029326 k( 117) = ( -0.1602916 0.1602916 0.1602916), wk = 0.0029326 k( 118) = ( -0.1536128 0.1536128 0.1536128), wk = 0.0029326 k( 119) = ( -0.1469340 0.1469340 0.1469340), wk = 0.0029326 k( 120) = ( -0.1402552 0.1402552 0.1402552), wk = 0.0029326 k( 121) = ( -0.1335764 0.1335764 0.1335764), wk = 0.0029326 k( 122) = ( -0.1268975 0.1268975 0.1268975), wk = 0.0029326 k( 123) = ( -0.1202187 0.1202187 0.1202187), wk = 0.0029326 k( 124) = ( -0.1135399 0.1135399 0.1135399), wk = 0.0029326 k( 125) = ( -0.1068611 0.1068611 0.1068611), wk = 0.0029326 k( 126) = ( -0.1001823 0.1001823 0.1001823), wk = 0.0029326 k( 127) = ( -0.0935035 0.0935035 0.0935034), wk = 0.0029326 k( 128) = ( -0.0868246 0.0868246 0.0868246), wk = 0.0029326 k( 129) = ( -0.0801458 0.0801458 0.0801458), wk = 0.0029326 k( 130) = ( -0.0734670 0.0734670 0.0734670), wk = 0.0029326 k( 131) = ( -0.0667882 0.0667882 0.0667882), wk = 0.0029326 k( 132) = ( -0.0601094 0.0601094 0.0601094), wk = 0.0029326 k( 133) = ( -0.0534306 0.0534306 0.0534305), wk = 0.0029326 k( 134) = ( -0.0467517 0.0467517 0.0467517), wk = 0.0029326 k( 135) = ( -0.0400729 0.0400729 0.0400729), wk = 0.0029326 k( 136) = ( -0.0333941 0.0333941 0.0333941), wk = 0.0029326 k( 137) = ( -0.0267153 0.0267153 0.0267153), wk = 0.0029326 k( 138) = ( -0.0200365 0.0200365 0.0200364), wk = 0.0029326 k( 139) = ( -0.0133576 0.0133576 0.0133576), wk = 0.0029326 k( 140) = ( -0.0066788 0.0066788 0.0066788), wk = 0.0029326 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 143) = ( 0.0161290 0.0161290 -0.0161290), wk = 0.0029326 k( 144) = ( 0.0322581 0.0322581 -0.0322581), wk = 0.0029326 k( 145) = ( 0.0483871 0.0483871 -0.0483871), wk = 0.0029326 k( 146) = ( 0.0645161 0.0645161 -0.0645161), wk = 0.0029326 k( 147) = ( 0.0806452 0.0806452 -0.0806452), wk = 0.0029326 k( 148) = ( 0.0967742 0.0967742 -0.0967742), wk = 0.0029326 k( 149) = ( 0.1129032 0.1129032 -0.1129032), wk = 0.0029326 k( 150) = ( 0.1290323 0.1290323 -0.1290323), wk = 0.0029326 k( 151) = ( 0.1451613 0.1451613 -0.1451613), wk = 0.0029326 k( 152) = ( 0.1612903 0.1612903 -0.1612903), wk = 0.0029326 k( 153) = ( 0.1774194 0.1774194 -0.1774194), wk = 0.0029326 k( 154) = ( 0.1935484 0.1935484 -0.1935484), wk = 0.0029326 k( 155) = ( 0.2096774 0.2096774 -0.2096774), wk = 0.0029326 k( 156) = ( 0.2258064 0.2258064 -0.2258064), wk = 0.0029326 k( 157) = ( 0.2419355 0.2419355 -0.2419355), wk = 0.0029326 k( 158) = ( 0.2580645 0.2580645 -0.2580645), wk = 0.0029326 k( 159) = ( 0.2741936 0.2741936 -0.2741936), wk = 0.0029326 k( 160) = ( 0.2903226 0.2903226 -0.2903226), wk = 0.0029326 k( 161) = ( 0.3064516 0.3064516 -0.3064516), wk = 0.0029326 k( 162) = ( 0.3225807 0.3225807 -0.3225807), wk = 0.0029326 k( 163) = ( 0.3387097 0.3387097 -0.3387097), wk = 0.0029326 k( 164) = ( 0.3548387 0.3548387 -0.3548387), wk = 0.0029326 k( 165) = ( 0.3709677 0.3709677 -0.3709677), wk = 0.0029326 k( 166) = ( 0.3870968 0.3870968 -0.3870968), wk = 0.0029326 k( 167) = ( 0.4032258 0.4032258 -0.4032258), wk = 0.0029326 k( 168) = ( 0.4193548 0.4193548 -0.4193548), wk = 0.0029326 k( 169) = ( 0.4354839 0.4354839 -0.4354839), wk = 0.0029326 k( 170) = ( 0.4516129 0.4516129 -0.4516129), wk = 0.0029326 k( 171) = ( 0.4677419 0.4677419 -0.4677419), wk = 0.0029326 k( 172) = ( 0.4838710 0.4838710 -0.4838710), wk = 0.0029326 k( 173) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029326 k( 174) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029326 k( 175) = ( 0.4933506 0.5066494 -0.4933506), wk = 0.0029326 k( 176) = ( 0.4867012 0.5132988 -0.4867012), wk = 0.0029326 k( 177) = ( 0.4800517 0.5199483 -0.4800517), wk = 0.0029326 k( 178) = ( 0.4734023 0.5265977 -0.4734023), wk = 0.0029326 k( 179) = ( 0.4667529 0.5332471 -0.4667529), wk = 0.0029326 k( 180) = ( 0.4601035 0.5398965 -0.4601035), wk = 0.0029326 k( 181) = ( 0.4534541 0.5465459 -0.4534541), wk = 0.0029326 k( 182) = ( 0.4468047 0.5531953 -0.4468047), wk = 0.0029326 k( 183) = ( 0.4401552 0.5598448 -0.4401552), wk = 0.0029326 k( 184) = ( 0.4335058 0.5664942 -0.4335058), wk = 0.0029326 k( 185) = ( 0.4268564 0.5731436 -0.4268564), wk = 0.0029326 k( 186) = ( 0.4202070 0.5797930 -0.4202070), wk = 0.0029326 k( 187) = ( 0.4135575 0.5864424 -0.4135575), wk = 0.0029326 k( 188) = ( 0.4069081 0.5930919 -0.4069081), wk = 0.0029326 k( 189) = ( 0.4002587 0.5997413 -0.4002587), wk = 0.0029326 k( 190) = ( 0.3936093 0.6063907 -0.3936093), wk = 0.0029326 k( 191) = ( 0.3869599 0.6130401 -0.3869599), wk = 0.0029326 k( 192) = ( 0.3803105 0.6196896 -0.3803105), wk = 0.0029326 k( 193) = ( 0.3736610 0.6263390 -0.3736610), wk = 0.0029326 k( 194) = ( 0.3670116 0.6329884 -0.3670116), wk = 0.0029326 k( 195) = ( 0.3603622 0.6396378 -0.3603622), wk = 0.0029326 k( 196) = ( 0.3537128 0.6462872 -0.3537128), wk = 0.0029326 k( 197) = ( 0.3470634 0.6529366 -0.3470634), wk = 0.0029326 k( 198) = ( 0.3404139 0.6595861 -0.3404139), wk = 0.0029326 k( 199) = ( 0.3337645 0.6662355 -0.3337645), wk = 0.0029326 k( 200) = ( 0.3271151 0.6728849 -0.3271151), wk = 0.0029326 k( 201) = ( 0.3204657 0.6795343 -0.3204657), wk = 0.0029326 k( 202) = ( 0.3138163 0.6861837 -0.3138163), wk = 0.0029326 k( 203) = ( 0.3071668 0.6928332 -0.3071668), wk = 0.0029326 k( 204) = ( 0.3005174 0.6994826 -0.3005174), wk = 0.0029326 k( 205) = ( 0.2938680 0.7061320 -0.2938680), wk = 0.0029326 k( 206) = ( 0.2938680 0.7061320 -0.2938680), wk = 0.0029326 k( 207) = ( 0.2765817 0.6940066 -0.2765816), wk = 0.0029326 k( 208) = ( 0.2592953 0.6818812 -0.2592953), wk = 0.0029326 k( 209) = ( 0.2420089 0.6697558 -0.2420089), wk = 0.0029326 k( 210) = ( 0.2247226 0.6576304 -0.2247226), wk = 0.0029326 k( 211) = ( 0.2074362 0.6455049 -0.2074362), wk = 0.0029326 k( 212) = ( 0.1901499 0.6333795 -0.1901499), wk = 0.0029326 k( 213) = ( 0.1728635 0.6212541 -0.1728635), wk = 0.0029326 k( 214) = ( 0.1555772 0.6091287 -0.1555772), wk = 0.0029326 k( 215) = ( 0.1382908 0.5970033 -0.1382908), wk = 0.0029326 k( 216) = ( 0.1210045 0.5848779 -0.1210045), wk = 0.0029326 k( 217) = ( 0.1037181 0.5727525 -0.1037181), wk = 0.0029326 k( 218) = ( 0.0864318 0.5606271 -0.0864318), wk = 0.0029326 k( 219) = ( 0.0691454 0.5485016 -0.0691454), wk = 0.0029326 k( 220) = ( 0.0518591 0.5363762 -0.0518591), wk = 0.0029326 k( 221) = ( 0.0345727 0.5242508 -0.0345727), wk = 0.0029326 k( 222) = ( 0.0172863 0.5121254 -0.0172863), wk = 0.0029326 k( 223) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029326 k( 224) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029326 k( 225) = ( 0.0067568 0.4932432 0.0067568), wk = 0.0029326 k( 226) = ( 0.0135135 0.4864865 0.0135135), wk = 0.0029326 k( 227) = ( 0.0202703 0.4797297 0.0202703), wk = 0.0029326 k( 228) = ( 0.0270270 0.4729730 0.0270270), wk = 0.0029326 k( 229) = ( 0.0337838 0.4662162 0.0337838), wk = 0.0029326 k( 230) = ( 0.0405405 0.4594595 0.0405405), wk = 0.0029326 k( 231) = ( 0.0472973 0.4527027 0.0472973), wk = 0.0029326 k( 232) = ( 0.0540540 0.4459459 0.0540540), wk = 0.0029326 k( 233) = ( 0.0608108 0.4391892 0.0608108), wk = 0.0029326 k( 234) = ( 0.0675676 0.4324324 0.0675676), wk = 0.0029326 k( 235) = ( 0.0743243 0.4256757 0.0743243), wk = 0.0029326 k( 236) = ( 0.0810811 0.4189189 0.0810811), wk = 0.0029326 k( 237) = ( 0.0878378 0.4121622 0.0878378), wk = 0.0029326 k( 238) = ( 0.0945946 0.4054054 0.0945946), wk = 0.0029326 k( 239) = ( 0.1013514 0.3986486 0.1013514), wk = 0.0029326 k( 240) = ( 0.1081081 0.3918919 0.1081081), wk = 0.0029326 k( 241) = ( 0.1148649 0.3851351 0.1148649), wk = 0.0029326 k( 242) = ( 0.1216216 0.3783784 0.1216216), wk = 0.0029326 k( 243) = ( 0.1283784 0.3716216 0.1283784), wk = 0.0029326 k( 244) = ( 0.1351351 0.3648649 0.1351351), wk = 0.0029326 k( 245) = ( 0.1418919 0.3581081 0.1418919), wk = 0.0029326 k( 246) = ( 0.1486486 0.3513514 0.1486486), wk = 0.0029326 k( 247) = ( 0.1554054 0.3445946 0.1554054), wk = 0.0029326 k( 248) = ( 0.1621622 0.3378378 0.1621622), wk = 0.0029326 k( 249) = ( 0.1689189 0.3310811 0.1689189), wk = 0.0029326 k( 250) = ( 0.1756757 0.3243243 0.1756757), wk = 0.0029326 k( 251) = ( 0.1824324 0.3175676 0.1824324), wk = 0.0029326 k( 252) = ( 0.1891892 0.3108108 0.1891892), wk = 0.0029326 k( 253) = ( 0.1959460 0.3040541 0.1959460), wk = 0.0029326 k( 254) = ( 0.2027027 0.2972973 0.2027027), wk = 0.0029326 k( 255) = ( 0.2094595 0.2905405 0.2094595), wk = 0.0029326 k( 256) = ( 0.2162162 0.2837838 0.2162162), wk = 0.0029326 k( 257) = ( 0.2229730 0.2770270 0.2229730), wk = 0.0029326 k( 258) = ( 0.2297297 0.2702703 0.2297297), wk = 0.0029326 k( 259) = ( 0.2364865 0.2635135 0.2364865), wk = 0.0029326 k( 260) = ( 0.2432432 0.2567568 0.2432432), wk = 0.0029326 k( 261) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029326 k( 262) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029326 k( 263) = ( 0.2638889 0.2638889 0.2312369), wk = 0.0029326 k( 264) = ( 0.2777778 0.2777778 0.2124738), wk = 0.0029326 k( 265) = ( 0.2916667 0.2916667 0.1937107), wk = 0.0029326 k( 266) = ( 0.3055556 0.3055556 0.1749476), wk = 0.0029326 k( 267) = ( 0.3194444 0.3194444 0.1561844), wk = 0.0029326 k( 268) = ( 0.3333333 0.3333333 0.1374213), wk = 0.0029326 k( 269) = ( 0.3472222 0.3472222 0.1186582), wk = 0.0029326 k( 270) = ( 0.3611111 0.3611111 0.0998951), wk = 0.0029326 k( 271) = ( 0.3750000 0.3750000 0.0811320), wk = 0.0029326 k( 272) = ( 0.3888889 0.3888889 0.0623689), wk = 0.0029326 k( 273) = ( 0.4027778 0.4027778 0.0436058), wk = 0.0029326 k( 274) = ( 0.4166667 0.4166667 0.0248427), wk = 0.0029326 k( 275) = ( 0.4305556 0.4305556 0.0060795), wk = 0.0029326 k( 276) = ( 0.4444444 0.4444444 -0.0126836), wk = 0.0029326 k( 277) = ( 0.4583333 0.4583333 -0.0314467), wk = 0.0029326 k( 278) = ( 0.4722222 0.4722222 -0.0502098), wk = 0.0029326 k( 279) = ( 0.4861111 0.4861111 -0.0689729), wk = 0.0029326 k( 280) = ( 0.5000000 0.5000000 -0.0877360), wk = 0.0029326 k( 281) = ( 0.5000000 0.5000000 -0.0877360), wk = 0.0029326 k( 282) = ( 0.5000000 0.5000000 -0.0973235), wk = 0.0029326 k( 283) = ( 0.5000000 0.5000000 -0.1069111), wk = 0.0029326 k( 284) = ( 0.5000000 0.5000000 -0.1164986), wk = 0.0029326 k( 285) = ( 0.5000000 0.5000000 -0.1260861), wk = 0.0029326 k( 286) = ( 0.5000000 0.5000000 -0.1356737), wk = 0.0029326 k( 287) = ( 0.5000000 0.5000000 -0.1452612), wk = 0.0029326 k( 288) = ( 0.5000000 0.5000000 -0.1548488), wk = 0.0029326 k( 289) = ( 0.5000000 0.5000000 -0.1644363), wk = 0.0029326 k( 290) = ( 0.5000000 0.5000000 -0.1740238), wk = 0.0029326 k( 291) = ( 0.5000000 0.5000000 -0.1836114), wk = 0.0029326 k( 292) = ( 0.5000000 0.5000000 -0.1931989), wk = 0.0029326 k( 293) = ( 0.5000000 0.5000000 -0.2027864), wk = 0.0029326 k( 294) = ( 0.5000000 0.5000000 -0.2123740), wk = 0.0029326 k( 295) = ( 0.5000000 0.5000000 -0.2219615), wk = 0.0029326 k( 296) = ( 0.5000000 0.5000000 -0.2315490), wk = 0.0029326 k( 297) = ( 0.5000000 0.5000000 -0.2411366), wk = 0.0029326 k( 298) = ( 0.5000000 0.5000000 -0.2507241), wk = 0.0029326 k( 299) = ( 0.5000000 0.5000000 -0.2603116), wk = 0.0029326 k( 300) = ( 0.5000000 0.5000000 -0.2698992), wk = 0.0029326 k( 301) = ( 0.5000000 0.5000000 -0.2794867), wk = 0.0029326 k( 302) = ( 0.5000000 0.5000000 -0.2890742), wk = 0.0029326 k( 303) = ( 0.5000000 0.5000000 -0.2986618), wk = 0.0029326 k( 304) = ( 0.5000000 0.5000000 -0.3082493), wk = 0.0029326 k( 305) = ( 0.5000000 0.5000000 -0.3178368), wk = 0.0029326 k( 306) = ( 0.5000000 0.5000000 -0.3274244), wk = 0.0029326 k( 307) = ( 0.5000000 0.5000000 -0.3370119), wk = 0.0029326 k( 308) = ( 0.5000000 0.5000000 -0.3465994), wk = 0.0029326 k( 309) = ( 0.5000000 0.5000000 -0.3561870), wk = 0.0029326 k( 310) = ( 0.5000000 0.5000000 -0.3657745), wk = 0.0029326 k( 311) = ( 0.5000000 0.5000000 -0.3753621), wk = 0.0029326 k( 312) = ( 0.5000000 0.5000000 -0.3849496), wk = 0.0029326 k( 313) = ( 0.5000000 0.5000000 -0.3945371), wk = 0.0029326 k( 314) = ( 0.5000000 0.5000000 -0.4041247), wk = 0.0029326 k( 315) = ( 0.5000000 0.5000000 -0.4137122), wk = 0.0029326 k( 316) = ( 0.5000000 0.5000000 -0.4232997), wk = 0.0029326 k( 317) = ( 0.5000000 0.5000000 -0.4328873), wk = 0.0029326 k( 318) = ( 0.5000000 0.5000000 -0.4424748), wk = 0.0029326 k( 319) = ( 0.5000000 0.5000000 -0.4520623), wk = 0.0029326 k( 320) = ( 0.5000000 0.5000000 -0.4616499), wk = 0.0029326 k( 321) = ( 0.5000000 0.5000000 -0.4712374), wk = 0.0029326 k( 322) = ( 0.5000000 0.5000000 -0.4808249), wk = 0.0029326 k( 323) = ( 0.5000000 0.5000000 -0.4904125), wk = 0.0029326 k( 324) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029326 k( 325) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029326 k( 326) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0029326 k( 327) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0029326 k( 328) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0029326 k( 329) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0029326 k( 330) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0029326 k( 331) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0029326 k( 332) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0029326 k( 333) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0029326 k( 334) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0029326 k( 335) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0029326 k( 336) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0029326 k( 337) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0029326 k( 338) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0029326 k( 339) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0029326 k( 340) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0029326 k( 341) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029326 Dense grid: 45433 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 26625 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 192, 50) NL pseudopotentials 0.19 Mb ( 96, 130) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1262) G-vector shells 0.00 Mb ( 602) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.59 Mb ( 192, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.20 Mb ( 130, 2, 50) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./SrxCuAsx2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.4 secs Computing kpt #: 5 total cpu time spent up to now is 4.9 secs Computing kpt #: 6 total cpu time spent up to now is 5.3 secs Computing kpt #: 7 total cpu time spent up to now is 5.8 secs Computing kpt #: 8 total cpu time spent up to now is 6.3 secs Computing kpt #: 9 total cpu time spent up to now is 6.7 secs Computing kpt #: 10 total cpu time spent up to now is 7.2 secs Computing kpt #: 11 total cpu time spent up to now is 7.6 secs Computing kpt #: 12 total cpu time spent up to now is 8.1 secs Computing kpt #: 13 total cpu time spent up to now is 8.5 secs Computing kpt #: 14 total cpu time spent up to now is 9.0 secs Computing kpt #: 15 total cpu time spent up to now is 9.4 secs Computing kpt #: 16 total cpu time spent up to now is 9.9 secs Computing kpt #: 17 total cpu time spent up to now is 10.3 secs Computing kpt #: 18 total cpu time spent up to now is 10.8 secs Computing kpt #: 19 total cpu time spent up to now is 11.3 secs Computing kpt #: 20 total cpu time spent up to now is 11.7 secs Computing kpt #: 21 total cpu time spent up to now is 12.2 secs Computing kpt #: 22 total cpu time spent up to now is 12.7 secs Computing kpt #: 23 total cpu time spent up to now is 13.2 secs Computing kpt #: 24 total cpu time spent up to now is 13.7 secs Computing kpt #: 25 total cpu time spent up to now is 14.2 secs Computing kpt #: 26 total cpu time spent up to now is 14.7 secs Computing kpt #: 27 total cpu time spent up to now is 15.2 secs Computing kpt #: 28 total cpu time spent up to now is 15.7 secs Computing kpt #: 29 total cpu time spent up to now is 16.2 secs Computing kpt #: 30 total cpu time spent up to now is 16.7 secs Computing kpt #: 31 total cpu time spent up to now is 17.1 secs Computing kpt #: 32 total cpu time spent up to now is 17.6 secs Computing kpt #: 33 total cpu time spent up to now is 18.1 secs Computing kpt #: 34 total cpu time spent up to now is 18.5 secs Computing kpt #: 35 total cpu time spent up to now is 19.0 secs Computing kpt #: 36 total cpu time spent up to now is 19.5 secs Computing kpt #: 37 total cpu time spent up to now is 19.9 secs Computing kpt #: 38 total cpu time spent up to now is 20.4 secs Computing kpt #: 39 total cpu time spent up to now is 20.9 secs Computing kpt #: 40 total cpu time spent up to now is 21.4 secs Computing kpt #: 41 total cpu time spent up to now is 21.8 secs Computing kpt #: 42 total cpu time spent up to now is 22.3 secs Computing kpt #: 43 total cpu time spent up to now is 22.9 secs Computing kpt #: 44 total cpu time spent up to now is 23.5 secs Computing kpt #: 45 total cpu time spent up to now is 24.0 secs Computing kpt #: 46 total cpu time spent up to now is 24.5 secs Computing kpt #: 47 total cpu time spent up to now is 25.0 secs Computing kpt #: 48 total cpu time spent up to now is 25.6 secs Computing kpt #: 49 total cpu time spent up to now is 26.2 secs Computing kpt #: 50 total cpu time spent up to now is 26.7 secs Computing kpt #: 51 total cpu time spent up to now is 27.3 secs Computing kpt #: 52 total cpu time spent up to now is 27.9 secs Computing kpt #: 53 total cpu time spent up to now is 28.5 secs Computing kpt #: 54 total cpu time spent up to now is 29.1 secs Computing kpt #: 55 total cpu time spent up to now is 29.7 secs Computing kpt #: 56 total cpu time spent up to now is 30.2 secs Computing kpt #: 57 total cpu time spent up to now is 30.8 secs Computing kpt #: 58 total cpu time spent up to now is 31.3 secs Computing kpt #: 59 total cpu time spent up to now is 31.9 secs Computing kpt #: 60 total cpu time spent up to now is 32.4 secs Computing kpt #: 61 total cpu time spent up to now is 32.9 secs Computing kpt #: 62 total cpu time spent up to now is 33.4 secs Computing kpt #: 63 total cpu time spent up to now is 34.0 secs Computing kpt #: 64 total cpu time spent up to now is 35.6 secs Computing kpt #: 65 total cpu time spent up to now is 36.2 secs Computing kpt #: 66 total cpu time spent up to now is 36.8 secs Computing kpt #: 67 total cpu time spent up to now is 37.3 secs Computing kpt #: 68 total cpu time spent up to now is 37.9 secs Computing kpt #: 69 total cpu time spent up to now is 38.5 secs Computing kpt #: 70 total cpu time spent up to now is 39.1 secs Computing kpt #: 71 total cpu time spent up to now is 39.7 secs Computing kpt #: 72 total cpu time spent up to now is 40.2 secs Computing kpt #: 73 total cpu time spent up to now is 40.7 secs Computing kpt #: 74 total cpu time spent up to now is 41.2 secs Computing kpt #: 75 total cpu time spent up to now is 41.7 secs Computing kpt #: 76 total cpu time spent up to now is 42.2 secs Computing kpt #: 77 total cpu time spent up to now is 42.7 secs Computing kpt #: 78 total cpu time spent up to now is 43.2 secs Computing kpt #: 79 total cpu time spent up to now is 43.7 secs Computing kpt #: 80 total cpu time spent up to now is 44.3 secs Computing kpt #: 81 total cpu time spent up to now is 44.8 secs Computing kpt #: 82 total cpu time spent up to now is 45.3 secs Computing kpt #: 83 total cpu time spent up to now is 45.8 secs Computing kpt #: 84 total cpu time spent up to now is 46.2 secs Computing kpt #: 85 total cpu time spent up to now is 46.7 secs Computing kpt #: 86 total cpu time spent up to now is 47.2 secs Computing kpt #: 87 total cpu time spent up to now is 47.6 secs Computing kpt #: 88 total cpu time spent up to now is 48.1 secs Computing kpt #: 89 total cpu time spent up to now is 48.6 secs Computing kpt #: 90 total cpu time spent up to now is 49.0 secs Computing kpt #: 91 total cpu time spent up to now is 49.5 secs Computing kpt #: 92 total cpu time spent up to now is 49.9 secs Computing kpt #: 93 total cpu time spent up to now is 50.4 secs Computing kpt #: 94 total cpu time spent up to now is 50.8 secs Computing kpt #: 95 total cpu time spent up to now is 51.2 secs Computing kpt #: 96 total cpu time spent up to now is 51.7 secs Computing kpt #: 97 total cpu time spent up to now is 52.1 secs Computing kpt #: 98 total cpu time spent up to now is 52.6 secs Computing kpt #: 99 total cpu time spent up to now is 53.0 secs Computing kpt #: 100 total cpu time spent up to now is 53.4 secs Computing kpt #: 101 total cpu time spent up to now is 53.9 secs Computing kpt #: 102 total cpu time spent up to now is 54.3 secs Computing kpt #: 103 total cpu time spent up to now is 54.8 secs Computing kpt #: 104 total cpu time spent up to now is 55.2 secs Computing kpt #: 105 total cpu time spent up to now is 55.7 secs Computing kpt #: 106 total cpu time spent up to now is 56.2 secs Computing kpt #: 107 total cpu time spent up to now is 56.6 secs Computing kpt #: 108 total cpu time spent up to now is 57.1 secs Computing kpt #: 109 total cpu time spent up to now is 57.6 secs Computing kpt #: 110 total cpu time spent up to now is 58.0 secs Computing kpt #: 111 total cpu time spent up to now is 58.5 secs Computing kpt #: 112 total cpu time spent up to now is 59.0 secs Computing kpt #: 113 total cpu time spent up to now is 59.5 secs Computing kpt #: 114 total cpu time spent up to now is 59.9 secs Computing kpt #: 115 total cpu time spent up to now is 60.4 secs Computing kpt #: 116 total cpu time spent up to now is 60.9 secs Computing kpt #: 117 total cpu time spent up to now is 61.4 secs Computing kpt #: 118 total cpu time spent up to now is 61.9 secs Computing kpt #: 119 total cpu time spent up to now is 62.3 secs Computing kpt #: 120 total cpu time spent up to now is 62.8 secs Computing kpt #: 121 total cpu time spent up to now is 63.3 secs Computing kpt #: 122 total cpu time spent up to now is 63.8 secs Computing kpt #: 123 total cpu time spent up to now is 64.3 secs Computing kpt #: 124 total cpu time spent up to now is 65.8 secs Computing kpt #: 125 total cpu time spent up to now is 66.2 secs Computing kpt #: 126 total cpu time spent up to now is 66.7 secs Computing kpt #: 127 total cpu time spent up to now is 67.2 secs Computing kpt #: 128 total cpu time spent up to now is 67.6 secs Computing kpt #: 129 total cpu time spent up to now is 68.1 secs Computing kpt #: 130 total cpu time spent up to now is 68.5 secs Computing kpt #: 131 total cpu time spent up to now is 69.0 secs Computing kpt #: 132 total cpu time spent up to now is 69.4 secs Computing kpt #: 133 total cpu time spent up to now is 69.9 secs Computing kpt #: 134 total cpu time spent up to now is 70.3 secs Computing kpt #: 135 total cpu time spent up to now is 70.8 secs Computing kpt #: 136 total cpu time spent up to now is 71.2 secs Computing kpt #: 137 total cpu time spent up to now is 71.7 secs Computing kpt #: 138 total cpu time spent up to now is 72.2 secs Computing kpt #: 139 total cpu time spent up to now is 72.6 secs Computing kpt #: 140 total cpu time spent up to now is 73.1 secs Computing kpt #: 141 total cpu time spent up to now is 73.5 secs Computing kpt #: 142 total cpu time spent up to now is 73.9 secs Computing kpt #: 143 total cpu time spent up to now is 74.4 secs Computing kpt #: 144 total cpu time spent up to now is 74.8 secs Computing kpt #: 145 total cpu time spent up to now is 75.3 secs Computing kpt #: 146 total cpu time spent up to now is 75.7 secs Computing kpt #: 147 total cpu time spent up to now is 76.2 secs Computing kpt #: 148 total cpu time spent up to now is 76.6 secs Computing kpt #: 149 total cpu time spent up to now is 77.1 secs Computing kpt #: 150 total cpu time spent up to now is 77.5 secs Computing kpt #: 151 total cpu time spent up to now is 78.0 secs Computing kpt #: 152 total cpu time spent up to now is 78.5 secs Computing kpt #: 153 total cpu time spent up to now is 79.0 secs Computing kpt #: 154 total cpu time spent up to now is 79.5 secs Computing kpt #: 155 total cpu time spent up to now is 79.9 secs Computing kpt #: 156 total cpu time spent up to now is 80.4 secs Computing kpt #: 157 total cpu time spent up to now is 80.9 secs Computing kpt #: 158 total cpu time spent up to now is 81.4 secs Computing kpt #: 159 total cpu time spent up to now is 81.9 secs Computing kpt #: 160 total cpu time spent up to now is 82.4 secs Computing kpt #: 161 total cpu time spent up to now is 82.9 secs Computing kpt #: 162 total cpu time spent up to now is 83.4 secs Computing kpt #: 163 total cpu time spent up to now is 84.0 secs Computing kpt #: 164 total cpu time spent up to now is 84.5 secs Computing kpt #: 165 total cpu time spent up to now is 85.1 secs Computing kpt #: 166 total cpu time spent up to now is 85.7 secs Computing kpt #: 167 total cpu time spent up to now is 86.3 secs Computing kpt #: 168 total cpu time spent up to now is 86.9 secs Computing kpt #: 169 total cpu time spent up to now is 87.5 secs Computing kpt #: 170 total cpu time spent up to now is 88.0 secs Computing kpt #: 171 total cpu time spent up to now is 88.6 secs Computing kpt #: 172 total cpu time spent up to now is 89.2 secs Computing kpt #: 173 total cpu time spent up to now is 89.8 secs Computing kpt #: 174 total cpu time spent up to now is 90.4 secs Computing kpt #: 175 total cpu time spent up to now is 91.0 secs Computing kpt #: 176 total cpu time spent up to now is 91.6 secs Computing kpt #: 177 total cpu time spent up to now is 92.3 secs Computing kpt #: 178 total cpu time spent up to now is 92.9 secs Computing kpt #: 179 total cpu time spent up to now is 93.5 secs Computing kpt #: 180 total cpu time spent up to now is 94.1 secs Computing kpt #: 181 total cpu time spent up to now is 94.6 secs Computing kpt #: 182 total cpu time spent up to now is 95.1 secs Computing kpt #: 183 total cpu time spent up to now is 95.6 secs Computing kpt #: 184 total cpu time spent up to now is 96.1 secs Computing kpt #: 185 total cpu time spent up to now is 96.6 secs Computing kpt #: 186 total cpu time spent up to now is 97.1 secs Computing kpt #: 187 total cpu time spent up to now is 97.6 secs Computing kpt #: 188 total cpu time spent up to now is 98.0 secs Computing kpt #: 189 total cpu time spent up to now is 98.5 secs Computing kpt #: 190 total cpu time spent up to now is 99.0 secs Computing kpt #: 191 total cpu time spent up to now is 99.5 secs Computing kpt #: 192 total cpu time spent up to now is 100.0 secs Computing kpt #: 193 total cpu time spent up to now is 100.4 secs Computing kpt #: 194 total cpu time spent up to now is 100.9 secs Computing kpt #: 195 total cpu time spent up to now is 101.4 secs Computing kpt #: 196 total cpu time spent up to now is 101.9 secs Computing kpt #: 197 total cpu time spent up to now is 102.3 secs Computing kpt #: 198 total cpu time spent up to now is 102.8 secs Computing kpt #: 199 total cpu time spent up to now is 103.2 secs Computing kpt #: 200 total cpu time spent up to now is 103.7 secs Computing kpt #: 201 total cpu time spent up to now is 104.1 secs Computing kpt #: 202 total cpu time spent up to now is 104.6 secs Computing kpt #: 203 total cpu time spent up to now is 105.0 secs Computing kpt #: 204 total cpu time spent up to now is 105.5 secs Computing kpt #: 205 total cpu time spent up to now is 105.9 secs Computing kpt #: 206 total cpu time spent up to now is 106.4 secs Computing kpt #: 207 total cpu time spent up to now is 106.8 secs Computing kpt #: 208 total cpu time spent up to now is 107.2 secs Computing kpt #: 209 total cpu time spent up to now is 107.7 secs Computing kpt #: 210 total cpu time spent up to now is 108.1 secs Computing kpt #: 211 total cpu time spent up to now is 108.6 secs Computing kpt #: 212 total cpu time spent up to now is 109.1 secs Computing kpt #: 213 total cpu time spent up to now is 109.6 secs Computing kpt #: 214 total cpu time spent up to now is 110.1 secs Computing kpt #: 215 total cpu time spent up to now is 110.6 secs Computing kpt #: 216 total cpu time spent up to now is 111.0 secs Computing kpt #: 217 total cpu time spent up to now is 111.5 secs Computing kpt #: 218 total cpu time spent up to now is 112.0 secs Computing kpt #: 219 total cpu time spent up to now is 112.4 secs Computing kpt #: 220 total cpu time spent up to now is 112.9 secs Computing kpt #: 221 total cpu time spent up to now is 113.3 secs Computing kpt #: 222 total cpu time spent up to now is 113.8 secs Computing kpt #: 223 total cpu time spent up to now is 114.2 secs Computing kpt #: 224 total cpu time spent up to now is 114.7 secs Computing kpt #: 225 total cpu time spent up to now is 115.1 secs Computing kpt #: 226 total cpu time spent up to now is 115.6 secs Computing kpt #: 227 total cpu time spent up to now is 116.0 secs Computing kpt #: 228 total cpu time spent up to now is 116.5 secs Computing kpt #: 229 total cpu time spent up to now is 116.9 secs Computing kpt #: 230 total cpu time spent up to now is 117.4 secs Computing kpt #: 231 total cpu time spent up to now is 117.8 secs Computing kpt #: 232 total cpu time spent up to now is 118.3 secs Computing kpt #: 233 total cpu time spent up to now is 118.8 secs Computing kpt #: 234 total cpu time spent up to now is 119.3 secs Computing kpt #: 235 total cpu time spent up to now is 119.7 secs Computing kpt #: 236 total cpu time spent up to now is 120.2 secs Computing kpt #: 237 total cpu time spent up to now is 120.7 secs Computing kpt #: 238 total cpu time spent up to now is 121.2 secs Computing kpt #: 239 total cpu time spent up to now is 121.7 secs Computing kpt #: 240 total cpu time spent up to now is 122.2 secs Computing kpt #: 241 total cpu time spent up to now is 122.7 secs Computing kpt #: 242 total cpu time spent up to now is 123.2 secs Computing kpt #: 243 total cpu time spent up to now is 123.6 secs Computing kpt #: 244 total cpu time spent up to now is 124.1 secs Computing kpt #: 245 total cpu time spent up to now is 124.6 secs Computing kpt #: 246 total cpu time spent up to now is 125.8 secs Computing kpt #: 247 total cpu time spent up to now is 126.3 secs Computing kpt #: 248 total cpu time spent up to now is 126.8 secs Computing kpt #: 249 total cpu time spent up to now is 127.3 secs Computing kpt #: 250 total cpu time spent up to now is 127.8 secs Computing kpt #: 251 total cpu time spent up to now is 128.3 secs Computing kpt #: 252 total cpu time spent up to now is 128.9 secs Computing kpt #: 253 total cpu time spent up to now is 129.4 secs Computing kpt #: 254 total cpu time spent up to now is 129.9 secs Computing kpt #: 255 total cpu time spent up to now is 130.4 secs Computing kpt #: 256 total cpu time spent up to now is 130.9 secs Computing kpt #: 257 total cpu time spent up to now is 131.5 secs Computing kpt #: 258 total cpu time spent up to now is 132.0 secs Computing kpt #: 259 total cpu time spent up to now is 132.5 secs Computing kpt #: 260 total cpu time spent up to now is 133.0 secs Computing kpt #: 261 total cpu time spent up to now is 133.5 secs Computing kpt #: 262 total cpu time spent up to now is 134.0 secs Computing kpt #: 263 total cpu time spent up to now is 134.5 secs Computing kpt #: 264 total cpu time spent up to now is 135.1 secs Computing kpt #: 265 total cpu time spent up to now is 135.6 secs Computing kpt #: 266 total cpu time spent up to now is 136.1 secs Computing kpt #: 267 total cpu time spent up to now is 136.6 secs Computing kpt #: 268 total cpu time spent up to now is 137.1 secs Computing kpt #: 269 total cpu time spent up to now is 137.6 secs Computing kpt #: 270 total cpu time spent up to now is 138.1 secs Computing kpt #: 271 total cpu time spent up to now is 138.6 secs Computing kpt #: 272 total cpu time spent up to now is 139.1 secs Computing kpt #: 273 total cpu time spent up to now is 139.6 secs Computing kpt #: 274 total cpu time spent up to now is 140.1 secs Computing kpt #: 275 total cpu time spent up to now is 140.6 secs Computing kpt #: 276 total cpu time spent up to now is 141.1 secs Computing kpt #: 277 total cpu time spent up to now is 141.6 secs Computing kpt #: 278 total cpu time spent up to now is 142.2 secs Computing kpt #: 279 total cpu time spent up to now is 142.8 secs Computing kpt #: 280 total cpu time spent up to now is 143.4 secs Computing kpt #: 281 total cpu time spent up to now is 144.0 secs Computing kpt #: 282 total cpu time spent up to now is 144.5 secs Computing kpt #: 283 total cpu time spent up to now is 145.1 secs Computing kpt #: 284 total cpu time spent up to now is 145.7 secs Computing kpt #: 285 total cpu time spent up to now is 146.3 secs Computing kpt #: 286 total cpu time spent up to now is 146.8 secs Computing kpt #: 287 total cpu time spent up to now is 147.4 secs Computing kpt #: 288 total cpu time spent up to now is 147.9 secs Computing kpt #: 289 total cpu time spent up to now is 148.4 secs Computing kpt #: 290 total cpu time spent up to now is 148.9 secs Computing kpt #: 291 total cpu time spent up to now is 149.4 secs Computing kpt #: 292 total cpu time spent up to now is 149.8 secs Computing kpt #: 293 total cpu time spent up to now is 150.3 secs Computing kpt #: 294 total cpu time spent up to now is 150.8 secs Computing kpt #: 295 total cpu time spent up to now is 151.3 secs Computing kpt #: 296 total cpu time spent up to now is 151.7 secs Computing kpt #: 297 total cpu time spent up to now is 152.2 secs Computing kpt #: 298 total cpu time spent up to now is 152.7 secs Computing kpt #: 299 total cpu time spent up to now is 153.1 secs Computing kpt #: 300 total cpu time spent up to now is 153.6 secs Computing kpt #: 301 total cpu time spent up to now is 154.1 secs Computing kpt #: 302 total cpu time spent up to now is 154.6 secs Computing kpt #: 303 total cpu time spent up to now is 155.1 secs Computing kpt #: 304 total cpu time spent up to now is 155.6 secs Computing kpt #: 305 total cpu time spent up to now is 156.1 secs Computing kpt #: 306 total cpu time spent up to now is 156.6 secs Computing kpt #: 307 total cpu time spent up to now is 157.1 secs Computing kpt #: 308 total cpu time spent up to now is 157.6 secs Computing kpt #: 309 total cpu time spent up to now is 158.1 secs Computing kpt #: 310 total cpu time spent up to now is 158.7 secs Computing kpt #: 311 total cpu time spent up to now is 159.2 secs Computing kpt #: 312 total cpu time spent up to now is 159.7 secs Computing kpt #: 313 total cpu time spent up to now is 160.2 secs Computing kpt #: 314 total cpu time spent up to now is 160.8 secs Computing kpt #: 315 total cpu time spent up to now is 161.3 secs Computing kpt #: 316 total cpu time spent up to now is 161.8 secs Computing kpt #: 317 total cpu time spent up to now is 162.4 secs Computing kpt #: 318 total cpu time spent up to now is 162.9 secs Computing kpt #: 319 total cpu time spent up to now is 163.4 secs Computing kpt #: 320 total cpu time spent up to now is 164.0 secs Computing kpt #: 321 total cpu time spent up to now is 164.6 secs Computing kpt #: 322 total cpu time spent up to now is 165.3 secs Computing kpt #: 323 total cpu time spent up to now is 165.9 secs Computing kpt #: 324 total cpu time spent up to now is 166.5 secs Computing kpt #: 325 total cpu time spent up to now is 167.1 secs Computing kpt #: 326 total cpu time spent up to now is 167.7 secs Computing kpt #: 327 total cpu time spent up to now is 168.3 secs Computing kpt #: 328 total cpu time spent up to now is 168.9 secs Computing kpt #: 329 total cpu time spent up to now is 169.5 secs Computing kpt #: 330 total cpu time spent up to now is 170.1 secs Computing kpt #: 331 total cpu time spent up to now is 170.7 secs Computing kpt #: 332 total cpu time spent up to now is 171.3 secs Computing kpt #: 333 total cpu time spent up to now is 171.9 secs Computing kpt #: 334 total cpu time spent up to now is 172.5 secs Computing kpt #: 335 total cpu time spent up to now is 173.0 secs Computing kpt #: 336 total cpu time spent up to now is 173.6 secs Computing kpt #: 337 total cpu time spent up to now is 174.1 secs Computing kpt #: 338 total cpu time spent up to now is 174.7 secs Computing kpt #: 339 total cpu time spent up to now is 175.3 secs Computing kpt #: 340 total cpu time spent up to now is 175.8 secs Computing kpt #: 341 total cpu time spent up to now is 176.3 secs ethr = 2.38E-08, avg # of iterations = 17.2 total cpu time spent up to now is 176.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3341 PWs) bands (ev): -25.1466 -25.1466 -7.9939 -7.9939 -6.8788 -6.8788 -6.8468 -6.8468 -2.9569 -2.9569 0.2267 0.2267 3.6918 3.6918 6.0072 6.0072 6.0134 6.0134 6.5700 6.5700 6.7251 6.7251 6.7460 6.7460 6.8898 6.8898 7.3030 7.3030 7.3219 7.3219 7.5009 7.5009 7.8296 7.8296 7.9755 7.9755 8.0547 8.0547 9.5697 9.5697 9.6671 9.6671 10.4393 10.4393 11.9139 11.9139 12.0180 12.0180 12.5705 12.5705 k = 0.0000 0.0000 0.0189 ( 3341 PWs) bands (ev): -25.1465 -25.1465 -7.9940 -7.9940 -6.8788 -6.8788 -6.8470 -6.8470 -2.9557 -2.9557 0.2263 0.2263 3.6927 3.6927 6.0058 6.0058 6.0128 6.0128 6.5705 6.5705 6.7207 6.7207 6.7494 6.7494 6.8901 6.8901 7.3011 7.3011 7.3233 7.3233 7.5004 7.5004 7.8235 7.8235 7.9776 7.9776 8.0559 8.0559 9.5625 9.5625 9.6587 9.6587 10.4521 10.4521 11.9211 11.9211 12.0256 12.0256 12.5705 12.5705 k = 0.0000 0.0000 0.0377 ( 3345 PWs) bands (ev): -25.1465 -25.1465 -7.9943 -7.9943 -6.8790 -6.8790 -6.8477 -6.8477 -2.9522 -2.9522 0.2254 0.2254 3.6954 3.6954 6.0001 6.0001 6.0122 6.0122 6.5717 6.5717 6.7119 6.7119 6.7548 6.7548 6.8914 6.8914 7.2963 7.2963 7.3265 7.3265 7.4989 7.4989 7.8069 7.8069 7.9822 7.9822 8.0596 8.0596 9.5412 9.5412 9.6348 9.6348 10.4888 10.4888 11.9426 11.9426 12.0480 12.0480 12.5706 12.5706 k = 0.0000 0.0000 0.0566 ( 3353 PWs) bands (ev): -25.1465 -25.1465 -7.9947 -7.9947 -6.8792 -6.8792 -6.8488 -6.8488 -2.9463 -2.9463 0.2239 0.2239 3.6999 3.6999 5.9895 5.9895 6.0124 6.0124 6.5737 6.5737 6.7020 6.7020 6.7579 6.7579 6.8944 6.8944 7.2902 7.2902 7.3299 7.3299 7.4963 7.4963 7.7828 7.7828 7.9867 7.9867 8.0656 8.0656 9.5073 9.5073 9.5992 9.5992 10.5454 10.5454 11.9782 11.9782 12.0840 12.0840 12.5707 12.5707 k = 0.0000 0.0000 0.0755 ( 3349 PWs) bands (ev): -25.1464 -25.1464 -7.9954 -7.9954 -6.8795 -6.8795 -6.8504 -6.8504 -2.9381 -2.9381 0.2217 0.2217 3.7061 3.7061 5.9745 5.9745 6.0133 6.0133 6.5764 6.5764 6.6921 6.6921 6.7566 6.7566 6.9002 6.9002 7.2833 7.2833 7.3333 7.3333 7.4927 7.4927 7.7541 7.7541 7.9895 7.9895 8.0736 8.0736 9.4632 9.4632 9.5555 9.5555 10.6173 10.6173 12.0274 12.0274 12.1315 12.1315 12.5711 12.5711 k = 0.0000 0.0000 0.0943 ( 3341 PWs) bands (ev): -25.1463 -25.1463 -7.9962 -7.9962 -6.8800 -6.8800 -6.8524 -6.8524 -2.9276 -2.9276 0.2190 0.2190 3.7140 3.7140 5.9556 5.9556 6.0146 6.0146 6.5796 6.5796 6.6823 6.6823 6.7496 6.7496 6.9094 6.9094 7.2760 7.2760 7.3362 7.3362 7.4880 7.4880 7.7230 7.7230 7.9900 7.9900 8.0825 8.0825 9.4115 9.4115 9.5060 9.5060 10.7011 10.7011 12.0896 12.0896 12.1884 12.1884 12.5721 12.5721 k = 0.0000 0.0000 0.1132 ( 3347 PWs) bands (ev): -25.1462 -25.1462 -7.9971 -7.9971 -6.8805 -6.8805 -6.8547 -6.8547 -2.9150 -2.9150 0.2158 0.2158 3.7235 3.7235 5.9330 5.9330 6.0161 6.0161 6.5830 6.5830 6.6725 6.6725 6.7369 6.7369 6.9219 6.9219 7.2685 7.2685 7.3386 7.3386 7.4823 7.4823 7.6909 7.6909 7.9884 7.9884 8.0916 8.0916 9.3550 9.3550 9.4525 9.4525 10.7939 10.7939 12.1642 12.1642 12.2521 12.2521 12.5738 12.5738 k = 0.0000 0.0000 0.1321 ( 3339 PWs) bands (ev): -25.1460 -25.1460 -7.9982 -7.9982 -6.8812 -6.8812 -6.8573 -6.8573 -2.9003 -2.9003 0.2120 0.2120 3.7344 3.7344 5.9071 5.9071 6.0180 6.0180 6.5863 6.5863 6.6618 6.6618 6.7197 6.7197 6.9374 6.9374 7.2609 7.2609 7.3404 7.3404 7.4755 7.4755 7.6592 7.6592 7.9853 7.9853 8.1002 8.1002 9.2958 9.2958 9.3963 9.3963 10.8941 10.8941 12.2503 12.2503 12.3198 12.3198 12.5768 12.5768 k = 0.0000 0.0000 0.1509 ( 3331 PWs) bands (ev): -25.1458 -25.1458 -7.9995 -7.9995 -6.8821 -6.8821 -6.8602 -6.8602 -2.8836 -2.8836 0.2078 0.2078 3.7467 3.7467 5.8783 5.8783 6.0201 6.0201 6.5883 6.5883 6.6483 6.6483 6.7013 6.7013 6.9551 6.9551 7.2534 7.2534 7.3416 7.3416 7.4675 7.4675 7.6288 7.6288 7.9807 7.9807 8.1080 8.1080 9.2353 9.2353 9.3387 9.3387 11.0004 11.0004 12.3470 12.3470 12.3893 12.3893 12.5817 12.5817 k = 0.0000 0.0000 0.1698 ( 3323 PWs) bands (ev): -25.1457 -25.1457 -8.0009 -8.0009 -6.8832 -6.8832 -6.8632 -6.8632 -2.8650 -2.8650 0.2031 0.2031 3.7601 3.7601 5.8470 5.8470 6.0227 6.0227 6.5854 6.5854 6.6308 6.6308 6.6866 6.6866 6.9744 6.9744 7.2463 7.2463 7.3420 7.3420 7.4583 7.4583 7.6005 7.6005 7.9749 7.9749 8.1148 8.1148 9.1746 9.1746 9.2805 9.2805 11.1120 11.1120 12.4494 12.4494 12.4617 12.4617 12.5895 12.5895 k = 0.0000 0.0000 0.1887 ( 3323 PWs) bands (ev): -25.1455 -25.1455 -8.0025 -8.0025 -6.8846 -6.8846 -6.8663 -6.8663 -2.8446 -2.8446 0.1980 0.1980 3.7746 3.7746 5.8136 5.8136 6.0254 6.0254 6.5669 6.5669 6.6180 6.6180 6.6779 6.6779 6.9948 6.9948 7.2397 7.2397 7.3417 7.3417 7.4481 7.4481 7.5748 7.5748 7.9680 7.9680 8.1206 8.1206 9.1143 9.1143 9.2229 9.2229 11.2281 11.2281 12.5171 12.5171 12.5722 12.5722 12.6031 12.6031 k = 0.0000 0.0000 0.2075 ( 3323 PWs) bands (ev): -25.1452 -25.1452 -8.0041 -8.0041 -6.8863 -6.8863 -6.8693 -6.8693 -2.8227 -2.8227 0.1926 0.1926 3.7899 3.7899 5.7788 5.7788 6.0284 6.0284 6.5293 6.5293 6.6151 6.6151 6.6739 6.6739 7.0160 7.0160 7.2338 7.2338 7.3405 7.3405 7.4368 7.4368 7.5519 7.5519 7.9600 7.9600 8.1254 8.1254 9.0548 9.0548 9.1665 9.1665 11.3484 11.3484 12.5647 12.5647 12.6304 12.6304 12.6969 12.6969 k = 0.0000 0.0000 0.2264 ( 3313 PWs) bands (ev): -25.1450 -25.1450 -8.0059 -8.0059 -6.8885 -6.8885 -6.8721 -6.8721 -2.7992 -2.7992 0.1869 0.1869 3.8058 3.8058 5.7430 5.7430 6.0317 6.0317 6.4809 6.4809 6.6156 6.6156 6.6734 6.6734 7.0375 7.0375 7.2288 7.2288 7.3383 7.3383 7.4250 7.4250 7.5318 7.5318 7.9510 7.9510 8.1293 8.1293 8.9966 8.9966 9.1121 9.1121 11.4726 11.4726 12.5925 12.5925 12.6753 12.6753 12.8296 12.8296 k = 0.0000 0.0000 0.2453 ( 3313 PWs) bands (ev): -25.1447 -25.1447 -8.0078 -8.0078 -6.8914 -6.8914 -6.8746 -6.8746 -2.7744 -2.7744 0.1810 0.1810 3.8220 3.8220 5.7068 5.7068 6.0353 6.0353 6.4259 6.4259 6.6166 6.6166 6.6753 6.6753 7.0588 7.0588 7.2249 7.2249 7.3350 7.3350 7.4131 7.4131 7.5143 7.5143 7.9410 7.9410 8.1324 8.1324 8.9396 8.9396 9.0599 9.0599 11.6003 11.6003 12.6130 12.6130 12.7257 12.7257 12.9695 12.9695 k = 0.0000 0.0000 0.2641 ( 3313 PWs) bands (ev): -25.1445 -25.1445 -8.0098 -8.0098 -6.8947 -6.8947 -6.8766 -6.8766 -2.7484 -2.7484 0.1748 0.1748 3.8384 3.8384 5.6707 5.6707 6.0391 6.0391 6.3661 6.3661 6.6176 6.6176 6.6791 6.6791 7.0793 7.0793 7.2223 7.2223 7.3303 7.3303 7.4015 7.4015 7.4989 7.4989 7.9301 7.9301 8.1346 8.1346 8.8842 8.8842 9.0105 9.0105 11.7313 11.7313 12.6335 12.6335 12.7738 12.7738 13.1159 13.1159 k = 0.0000 0.0000 0.2830 ( 3307 PWs) bands (ev): -25.1442 -25.1442 -8.0118 -8.0118 -6.8985 -6.8985 -6.8783 -6.8783 -2.7214 -2.7214 0.1686 0.1686 3.8547 3.8547 5.6355 5.6355 6.0431 6.0431 6.3026 6.3026 6.6185 6.6185 6.6845 6.6845 7.0985 7.0985 7.2217 7.2217 7.3242 7.3242 7.3909 7.3909 7.4853 7.4853 7.9182 7.9182 8.1362 8.1362 8.8302 8.8302 8.9638 8.9638 11.8655 11.8655 12.6565 12.6565 12.8176 12.8176 13.2682 13.2682 k = 0.0000 0.0000 0.3018 ( 3303 PWs) bands (ev): -25.1439 -25.1439 -8.0139 -8.0139 -6.9027 -6.9027 -6.8798 -6.8798 -2.6935 -2.6935 0.1622 0.1622 3.8705 3.8705 5.6016 5.6016 6.0474 6.0474 6.2362 6.2362 6.6194 6.6194 6.6908 6.6908 7.1152 7.1152 7.2237 7.2237 7.3165 7.3165 7.3816 7.3816 7.4731 7.4731 7.9055 7.9055 8.1373 8.1373 8.7777 8.7777 8.9201 8.9201 12.0025 12.0025 12.6828 12.6828 12.8564 12.8564 13.4257 13.4257 k = 0.0000 0.0000 0.3207 ( 3305 PWs) bands (ev): -25.1436 -25.1436 -8.0161 -8.0161 -6.9071 -6.9071 -6.8811 -6.8811 -2.6650 -2.6650 0.1558 0.1558 3.8857 3.8857 5.5697 5.5697 6.0518 6.0518 6.1677 6.1677 6.6204 6.6204 6.6979 6.6979 7.1282 7.1282 7.2290 7.2290 7.3075 7.3075 7.3736 7.3736 7.4621 7.4621 7.8919 7.8919 8.1378 8.1378 8.7268 8.7268 8.8793 8.8793 12.1423 12.1423 12.7128 12.7128 12.8903 12.8903 13.5879 13.5879 k = 0.0000 0.0000 0.3396 ( 3312 PWs) bands (ev): -25.1432 -25.1432 -8.0183 -8.0183 -6.9116 -6.9116 -6.8822 -6.8822 -2.6360 -2.6360 0.1494 0.1494 3.8999 3.8999 5.5403 5.5403 6.0563 6.0563 6.0979 6.0979 6.6215 6.6215 6.7055 6.7055 7.1369 7.1369 7.2381 7.2381 7.2975 7.2975 7.3669 7.3669 7.4522 7.4522 7.8775 7.8775 8.1379 8.1379 8.6775 8.6775 8.8414 8.8414 12.2847 12.2847 12.7467 12.7467 12.9193 12.9193 13.7535 13.7535 k = 0.0000 0.0000 0.3584 ( 3320 PWs) bands (ev): -25.1429 -25.1429 -8.0205 -8.0205 -6.9162 -6.9162 -6.8833 -6.8833 -2.6067 -2.6067 0.1431 0.1431 3.9130 3.9130 5.5139 5.5139 6.0258 6.0258 6.0623 6.0623 6.6228 6.6228 6.7134 6.7134 7.1412 7.1412 7.2502 7.2502 7.2871 7.2871 7.3614 7.3614 7.4434 7.4434 7.8624 7.8624 8.1376 8.1376 8.6297 8.6297 8.8061 8.8061 12.4291 12.4291 12.7845 12.7845 12.9437 12.9437 13.8991 13.8991 k = 0.0000 0.0000 0.3773 ( 3324 PWs) bands (ev): -25.1426 -25.1426 -8.0227 -8.0227 -6.9208 -6.9208 -6.8843 -6.8843 -2.5773 -2.5773 0.1368 0.1368 3.9248 3.9248 5.4911 5.4911 5.9547 5.9547 6.0671 6.0671 6.6244 6.6244 6.7216 6.7216 7.1420 7.1420 7.2622 7.2622 7.2780 7.2780 7.3572 7.3572 7.4356 7.4356 7.8469 7.8469 8.1370 8.1370 8.5834 8.5834 8.7733 8.7733 12.5751 12.5751 12.8260 12.8260 12.9642 12.9642 13.7718 13.7718 k = 0.0000 0.0000 0.3962 ( 3320 PWs) bands (ev): -25.1422 -25.1422 -8.0249 -8.0249 -6.9254 -6.9254 -6.8852 -6.8852 -2.5480 -2.5480 0.1307 0.1307 3.9353 3.9353 5.4722 5.4722 5.8831 5.8831 6.0725 6.0725 6.6261 6.6261 6.7300 6.7300 7.1404 7.1404 7.2610 7.2610 7.2820 7.2820 7.3546 7.3546 7.4292 7.4292 7.8309 7.8309 8.1361 8.1361 8.5385 8.5385 8.7428 8.7428 12.7206 12.7206 12.8710 12.8710 12.9817 12.9817 13.6255 13.6255 k = 0.0000 0.0000 0.4150 ( 3320 PWs) bands (ev): -25.1419 -25.1419 -8.0271 -8.0271 -6.9299 -6.9299 -6.8861 -6.8861 -2.5188 -2.5188 0.1248 0.1248 3.9443 3.9443 5.4573 5.4573 5.8118 5.8118 6.0780 6.0780 6.6281 6.6281 6.7384 6.7384 7.1369 7.1369 7.2509 7.2509 7.2925 7.2925 7.3544 7.3544 7.4244 7.4244 7.8149 7.8149 8.1349 8.1349 8.4950 8.4950 8.7142 8.7142 12.8507 12.8507 12.9296 12.9296 12.9985 12.9985 13.4843 13.4843 k = 0.0000 0.0000 0.4339 ( 3316 PWs) bands (ev): -25.1415 -25.1415 -8.0293 -8.0293 -6.9343 -6.9343 -6.8869 -6.8869 -2.4901 -2.4901 0.1191 0.1191 3.9519 3.9519 5.4466 5.4466 5.7412 5.7412 6.0837 6.0837 6.6302 6.6302 6.7467 6.7467 7.1320 7.1320 7.2400 7.2400 7.2998 7.2998 7.3570 7.3570 7.4217 7.4217 7.7991 7.7991 8.1336 8.1336 8.4528 8.4528 8.6872 8.6872 12.9094 12.9094 13.0147 13.0147 13.0502 13.0502 13.3564 13.3564 k = 0.0000 0.0000 0.4528 ( 3320 PWs) bands (ev): -25.1412 -25.1412 -8.0315 -8.0315 -6.9385 -6.9385 -6.8877 -6.8877 -2.4620 -2.4620 0.1137 0.1137 3.9583 3.9583 5.4401 5.4401 5.6715 5.6715 6.0895 6.0895 6.6323 6.6323 6.7549 6.7549 7.1259 7.1259 7.2292 7.2292 7.3025 7.3025 7.3616 7.3616 7.4218 7.4218 7.7839 7.7839 8.1321 8.1321 8.4118 8.4118 8.6616 8.6616 12.9178 12.9178 13.0183 13.0183 13.1986 13.1986 13.2668 13.2668 k = 0.0000 0.0000 0.4716 ( 3316 PWs) bands (ev): -25.1408 -25.1408 -8.0335 -8.0335 -6.9426 -6.9426 -6.8885 -6.8885 -2.4346 -2.4346 0.1085 0.1085 3.9638 3.9638 5.4376 5.4376 5.6031 5.6031 6.0954 6.0954 6.6347 6.6347 6.7630 6.7630 7.1189 7.1189 7.2186 7.2186 7.3020 7.3020 7.3657 7.3657 7.4252 7.4252 7.7700 7.7700 8.1305 8.1305 8.3721 8.3721 8.6371 8.6371 12.8831 12.8831 12.9848 12.9848 13.2534 13.2534 13.3536 13.3536 k = 0.0000 0.0000 0.4905 ( 3320 PWs) bands (ev): -25.1404 -25.1404 -8.0356 -8.0356 -6.9465 -6.9465 -6.8892 -6.8892 -2.4080 -2.4080 0.1037 0.1037 3.9686 3.9686 5.4384 5.4384 5.5367 5.5367 6.1014 6.1014 6.6371 6.6371 6.7707 6.7707 7.1110 7.1110 7.2082 7.2082 7.2997 7.2997 7.3679 7.3679 7.4312 7.4312 7.7580 7.7580 8.1288 8.1288 8.3334 8.3334 8.6131 8.6131 12.7892 12.7892 12.9523 12.9523 13.2991 13.2991 13.5099 13.5099 k = 0.0000 0.0000 0.5094 ( 3324 PWs) bands (ev): -25.1401 -25.1401 -8.0376 -8.0376 -6.9502 -6.9502 -6.8899 -6.8899 -2.3825 -2.3825 0.0991 0.0991 3.9731 3.9731 5.4386 5.4386 5.4758 5.4758 6.1074 6.1074 6.6394 6.6394 6.7781 6.7781 7.1024 7.1024 7.1979 7.1979 7.2964 7.2964 7.3681 7.3681 7.4379 7.4379 7.7488 7.7488 8.1270 8.1270 8.2958 8.2958 8.5895 8.5895 12.6662 12.6662 12.9252 12.9252 13.3688 13.3688 13.6091 13.6091 k = 0.0000 0.0000 0.5282 ( 3330 PWs) bands (ev): -25.1397 -25.1397 -8.0395 -8.0395 -6.9537 -6.9537 -6.8905 -6.8905 -2.3580 -2.3580 0.0949 0.0949 3.9777 3.9777 5.4003 5.4003 5.4583 5.4583 6.1134 6.1134 6.6419 6.6419 6.7851 6.7851 7.0932 7.0932 7.1879 7.1879 7.2927 7.2927 7.3671 7.3671 7.4435 7.4435 7.7434 7.7434 8.1252 8.1252 8.2592 8.2592 8.5659 8.5659 12.5356 12.5356 12.8942 12.8942 13.4496 13.4496 13.5230 13.5230 k = 0.0000 0.0000 0.5471 ( 3330 PWs) bands (ev): -25.1393 -25.1393 -8.0413 -8.0413 -6.9570 -6.9570 -6.8911 -6.8911 -2.3348 -2.3348 0.0910 0.0910 3.9828 3.9828 5.3402 5.3402 5.4671 5.4671 6.1195 6.1195 6.6443 6.6443 6.7917 6.7917 7.0836 7.0836 7.1781 7.1781 7.2890 7.2890 7.3652 7.3652 7.4463 7.4463 7.7425 7.7425 8.1233 8.1233 8.2235 8.2235 8.5420 8.5420 12.4036 12.4036 12.8576 12.8576 13.4434 13.4434 13.5443 13.5443 k = 0.0000 0.0000 0.5660 ( 3338 PWs) bands (ev): -25.1390 -25.1390 -8.0430 -8.0430 -6.9602 -6.9602 -6.8917 -6.8917 -2.3130 -2.3130 0.0874 0.0874 3.9888 3.9888 5.2805 5.2805 5.4797 5.4797 6.1255 6.1255 6.6466 6.6466 6.7977 6.7977 7.0735 7.0735 7.1684 7.1684 7.2854 7.2854 7.3627 7.3627 7.4459 7.4459 7.7467 7.7467 8.1214 8.1214 8.1887 8.1887 8.5174 8.5174 12.2726 12.2726 12.8161 12.8161 13.3818 13.3818 13.6410 13.6410 k = 0.0000 0.0000 0.5848 ( 3330 PWs) bands (ev): -25.1386 -25.1386 -8.0447 -8.0447 -6.9631 -6.9631 -6.8922 -6.8922 -2.2925 -2.2925 0.0842 0.0842 3.9961 3.9961 5.2225 5.2225 5.4942 5.4942 6.1316 6.1316 6.6490 6.6490 6.8033 6.8033 7.0633 7.0633 7.1589 7.1589 7.2821 7.2821 7.3593 7.3593 7.4423 7.4423 7.7558 7.7558 8.1195 8.1195 8.1550 8.1550 8.4920 8.4920 12.1438 12.1438 12.7720 12.7720 13.3312 13.3312 13.7445 13.7445 k = 0.0000 0.0000 0.6037 ( 3330 PWs) bands (ev): -25.1383 -25.1383 -8.0462 -8.0462 -6.9658 -6.9658 -6.8926 -6.8926 -2.2734 -2.2734 0.0813 0.0813 4.0051 4.0051 5.1666 5.1666 5.5099 5.5099 6.1375 6.1375 6.6513 6.6513 6.8082 6.8082 7.0529 7.0529 7.1496 7.1496 7.2790 7.2790 7.3548 7.3548 7.4364 7.4364 7.7693 7.7693 8.1154 8.1154 8.1241 8.1241 8.4657 8.4657 12.0178 12.0178 12.7280 12.7280 13.2901 13.2901 13.8537 13.8537 k = 0.0000 0.0000 0.6226 ( 3330 PWs) bands (ev): -25.1380 -25.1380 -8.0477 -8.0477 -6.9683 -6.9683 -6.8930 -6.8930 -2.2558 -2.2558 0.0788 0.0788 4.0160 4.0160 5.1129 5.1129 5.5262 5.5262 6.1433 6.1433 6.6536 6.6536 6.8125 6.8125 7.0423 7.0423 7.1403 7.1403 7.2760 7.2760 7.3490 7.3490 7.4295 7.4295 7.7866 7.7866 8.0882 8.0882 8.1172 8.1172 8.4383 8.4383 11.8950 11.8950 12.6868 12.6868 13.2565 13.2565 13.9681 13.9681 k = 0.0000 0.0000 0.6414 ( 3326 PWs) bands (ev): -25.1377 -25.1377 -8.0491 -8.0491 -6.9706 -6.9706 -6.8934 -6.8934 -2.2397 -2.2397 0.0765 0.0765 4.0291 4.0291 5.0615 5.0615 5.5425 5.5425 6.1489 6.1489 6.6558 6.6558 6.8162 6.8162 7.0317 7.0317 7.1313 7.1313 7.2729 7.2729 7.3416 7.3416 7.4226 7.4226 7.8067 7.8067 8.0569 8.0569 8.1153 8.1153 8.4098 8.4098 11.7757 11.7757 12.6509 12.6509 13.2286 13.2286 14.0873 14.0873 k = 0.0000 0.0000 0.6603 ( 3322 PWs) bands (ev): -25.1373 -25.1373 -8.0504 -8.0504 -6.9727 -6.9727 -6.8937 -6.8937 -2.2251 -2.2251 0.0746 0.0746 4.0444 4.0444 5.0126 5.0126 5.5583 5.5583 6.1543 6.1543 6.6579 6.6579 6.8191 6.8191 7.0211 7.0211 7.1224 7.1224 7.2692 7.2692 7.3332 7.3332 7.4168 7.4168 7.8290 7.8290 8.0262 8.0262 8.1138 8.1138 8.3804 8.3804 11.6602 11.6602 12.6218 12.6218 13.2050 13.2050 14.2110 14.2110 k = 0.0000 0.0000 0.6792 ( 3326 PWs) bands (ev): -25.1370 -25.1370 -8.0515 -8.0515 -6.9746 -6.9746 -6.8940 -6.8940 -2.2119 -2.2119 0.0730 0.0730 4.0621 4.0621 4.9661 4.9661 5.5731 5.5731 6.1595 6.1595 6.6600 6.6600 6.8214 6.8214 7.0105 7.0105 7.1136 7.1136 7.2639 7.2639 7.3247 7.3247 7.4124 7.4124 7.8524 7.8524 7.9965 7.9965 8.1124 8.1124 8.3501 8.3501 11.5488 11.5488 12.6009 12.6009 13.1845 13.1845 14.3390 14.3390 k = 0.0000 0.0000 0.6980 ( 3330 PWs) bands (ev): -25.1368 -25.1368 -8.0526 -8.0526 -6.9763 -6.9763 -6.8942 -6.8942 -2.2002 -2.2002 0.0716 0.0716 4.0822 4.0822 4.9222 4.9222 5.5865 5.5865 6.1646 6.1646 6.6621 6.6621 6.8230 6.8230 7.0000 7.0000 7.1051 7.1051 7.2561 7.2561 7.3179 7.3179 7.4093 7.4093 7.8759 7.8759 7.9686 7.9686 8.1113 8.1113 8.3194 8.3194 11.4418 11.4418 12.5888 12.5888 13.1667 13.1667 14.4708 14.4708 k = 0.0000 0.0000 0.7169 ( 3318 PWs) bands (ev): -25.1365 -25.1365 -8.0537 -8.0537 -6.9779 -6.9779 -6.8944 -6.8944 -2.1898 -2.1898 0.0705 0.0705 4.1046 4.1046 4.8809 4.8809 5.5982 5.5982 6.1693 6.1693 6.6641 6.6641 6.8240 6.8240 6.9897 6.9897 7.0969 7.0969 7.2451 7.2451 7.3141 7.3141 7.4073 7.4073 7.8952 7.8952 7.9461 7.9461 8.1106 8.1106 8.2884 8.2884 11.3393 11.3393 12.5857 12.5857 13.1508 13.1508 14.6063 14.6063 k = 0.0000 0.0000 0.7358 ( 3330 PWs) bands (ev): -25.1362 -25.1362 -8.0546 -8.0546 -6.9793 -6.9793 -6.8945 -6.8945 -2.1807 -2.1807 0.0696 0.0696 4.1291 4.1291 4.8423 4.8423 5.6077 5.6077 6.1738 6.1738 6.6660 6.6660 6.8244 6.8244 6.9794 6.9794 7.0889 7.0889 7.2314 7.2314 7.3132 7.3132 7.4061 7.4061 7.8935 7.8935 7.9453 7.9453 8.1101 8.1101 8.2576 8.2576 11.2417 11.2417 12.5918 12.5918 13.1367 13.1367 14.7451 14.7451 k = 0.0000 0.0000 0.7546 ( 3324 PWs) bands (ev): -25.1360 -25.1360 -8.0554 -8.0554 -6.9805 -6.9805 -6.8946 -6.8946 -2.1727 -2.1727 0.0689 0.0689 4.1556 4.1556 4.8064 4.8064 5.6148 5.6148 6.1780 6.1780 6.6679 6.6679 6.8244 6.8244 6.9694 6.9694 7.0812 7.0812 7.2160 7.2160 7.3149 7.3149 7.4056 7.4056 7.8720 7.8720 7.9647 7.9647 8.1104 8.1104 8.2274 8.2274 11.1492 11.1492 12.6066 12.6066 13.1242 13.1242 14.8869 14.8869 k = 0.0000 0.0000 0.7735 ( 3326 PWs) bands (ev): -25.1357 -25.1357 -8.0562 -8.0562 -6.9816 -6.9816 -6.8946 -6.8946 -2.1660 -2.1660 0.0684 0.0684 4.1836 4.1836 4.7732 4.7732 5.6194 5.6194 6.1819 6.1819 6.6698 6.6698 6.8239 6.8239 6.9595 6.9595 7.0740 7.0740 7.2000 7.2000 7.3185 7.3185 7.4053 7.4053 7.8470 7.8470 7.9873 7.9873 8.1114 8.1114 8.1983 8.1983 11.0622 11.0622 12.6295 12.6295 13.1131 13.1131 15.0310 15.0310 k = 0.0000 0.0000 0.7923 ( 3322 PWs) bands (ev): -25.1355 -25.1355 -8.0568 -8.0568 -6.9826 -6.9826 -6.8947 -6.8947 -2.1602 -2.1602 0.0680 0.0680 4.2127 4.2127 4.7427 4.7427 5.6215 5.6215 6.1855 6.1855 6.6717 6.6717 6.8232 6.8232 6.9498 6.9498 7.0671 7.0671 7.1840 7.1840 7.3236 7.3236 7.4053 7.4053 7.8219 7.8219 8.0090 8.0090 8.1138 8.1138 8.1709 8.1709 10.9810 10.9810 12.6596 12.6596 13.1035 13.1035 15.1748 15.1748 k = 0.0000 0.0000 0.8112 ( 3322 PWs) bands (ev): -25.1353 -25.1353 -8.0574 -8.0574 -6.9835 -6.9835 -6.8947 -6.8947 -2.1554 -2.1554 0.0677 0.0677 4.2425 4.2425 4.7151 4.7151 5.6211 5.6211 6.1887 6.1887 6.6734 6.6734 6.8224 6.8224 6.9405 6.9405 7.0607 7.0607 7.1686 7.1686 7.3299 7.3299 7.4055 7.4055 7.7974 7.7974 8.0278 8.0278 8.1181 8.1181 8.1458 8.1458 10.9058 10.9058 12.6958 12.6958 13.0953 13.0953 15.2480 15.2480 k = 0.0000 0.0000 0.8301 ( 3308 PWs) bands (ev): -25.1352 -25.1352 -8.0580 -8.0580 -6.9842 -6.9842 -6.8947 -6.8947 -2.1513 -2.1513 0.0676 0.0676 4.2724 4.2724 4.6903 4.6903 5.6183 5.6183 6.1917 6.1917 6.6752 6.6752 6.8216 6.8216 6.9315 6.9315 7.0549 7.0549 7.1542 7.1542 7.3371 7.3371 7.4057 7.4057 7.7740 7.7740 8.0418 8.0418 8.1221 8.1221 8.1269 8.1269 10.8371 10.8371 12.7366 12.7366 13.0887 13.0887 15.2734 15.2734 k = 0.0000 0.0000 0.8489 ( 3322 PWs) bands (ev): -25.1350 -25.1350 -8.0584 -8.0584 -6.9848 -6.9848 -6.8946 -6.8946 -2.1481 -2.1481 0.0675 0.0675 4.3017 4.3017 4.6683 4.6683 5.6136 5.6136 6.1942 6.1942 6.6767 6.6767 6.8208 6.8208 6.9228 6.9228 7.0496 7.0496 7.1408 7.1408 7.3449 7.3449 7.4057 7.4057 7.7519 7.7519 8.0495 8.0495 8.1049 8.1049 8.1364 8.1364 10.7752 10.7752 12.7801 12.7801 13.0840 13.0840 15.2937 15.2937 k = 0.0000 0.0000 0.8678 ( 3326 PWs) bands (ev): -25.1349 -25.1349 -8.0588 -8.0588 -6.9853 -6.9853 -6.8946 -6.8946 -2.1454 -2.1454 0.0675 0.0675 4.3295 4.3295 4.6492 4.6492 5.6075 5.6075 6.1964 6.1964 6.6781 6.6781 6.8203 6.8203 6.9147 6.9147 7.0449 7.0449 7.1288 7.1288 7.3532 7.3532 7.4057 7.4057 7.7315 7.7315 8.0497 8.0497 8.0926 8.0926 8.1491 8.1491 10.7205 10.7205 12.8241 12.8241 13.0815 13.0815 15.3089 15.3089 k = 0.0000 0.0000 0.8867 ( 3324 PWs) bands (ev): -25.1348 -25.1348 -8.0591 -8.0591 -6.9858 -6.9858 -6.8946 -6.8946 -2.1434 -2.1434 0.0675 0.0675 4.3552 4.3552 4.6329 4.6329 5.6005 5.6005 6.1983 6.1983 6.6795 6.6795 6.8201 6.8201 6.9073 6.9073 7.0409 7.0409 7.1186 7.1186 7.3616 7.3616 7.4054 7.4054 7.7130 7.7130 8.0435 8.0435 8.0867 8.0867 8.1625 8.1625 10.6734 10.6734 12.8658 12.8658 13.0818 13.0818 15.3175 15.3175 k = 0.0000 0.0000 0.9055 ( 3320 PWs) bands (ev): -25.1347 -25.1347 -8.0594 -8.0594 -6.9861 -6.9861 -6.8945 -6.8945 -2.1418 -2.1418 0.0676 0.0676 4.3779 4.3779 4.6195 4.6195 5.5933 5.5933 6.1998 6.1998 6.6807 6.6807 6.8202 6.8202 6.9008 6.9008 7.0376 7.0376 7.1100 7.1100 7.3699 7.3699 7.4048 7.4048 7.6970 7.6970 8.0346 8.0346 8.0846 8.0846 8.1750 8.1750 10.6342 10.6342 12.9021 12.9021 13.0853 13.0853 15.3174 15.3174 k = 0.0000 0.0000 0.9244 ( 3316 PWs) bands (ev): -25.1346 -25.1346 -8.0596 -8.0596 -6.9864 -6.9864 -6.8945 -6.8945 -2.1406 -2.1406 0.0676 0.0676 4.3967 4.3967 4.6091 4.6091 5.5867 5.5867 6.2010 6.2010 6.6816 6.6816 6.8205 6.8205 6.8952 6.8952 7.0351 7.0351 7.1032 7.1032 7.3778 7.3778 7.4037 7.4037 7.6838 7.6838 8.0262 8.0262 8.0839 8.0839 8.1856 8.1856 10.6034 10.6034 12.9304 12.9304 13.0921 13.0921 15.3074 15.3074 k = 0.0000 0.0000 0.9433 ( 3312 PWs) bands (ev): -25.1345 -25.1345 -8.0597 -8.0597 -6.9866 -6.9866 -6.8945 -6.8945 -2.1398 -2.1398 0.0676 0.0676 4.4107 4.4107 4.6016 4.6016 5.5814 5.5814 6.2019 6.2019 6.6823 6.6823 6.8209 6.8209 6.8910 6.8910 7.0334 7.0334 7.0983 7.0983 7.3848 7.3848 7.4020 7.4020 7.6739 7.6739 8.0197 8.0197 8.0837 8.0837 8.1937 8.1937 10.5811 10.5811 12.9495 12.9495 13.1007 13.1007 15.2907 15.2907 k = 0.0000 0.0000 0.9621 ( 3316 PWs) bands (ev): -25.1345 -25.1345 -8.0598 -8.0598 -6.9867 -6.9867 -6.8945 -6.8945 -2.1394 -2.1394 0.0677 0.0677 4.4195 4.4195 4.5971 4.5971 5.5779 5.5779 6.2024 6.2024 6.6827 6.6827 6.8212 6.8212 6.8883 6.8883 7.0322 7.0322 7.0953 7.0953 7.3907 7.3907 7.3994 7.3994 7.6678 7.6678 8.0157 8.0157 8.0836 8.0836 8.1986 8.1986 10.5677 10.5677 12.9599 12.9599 13.1079 13.1079 15.2752 15.2752 k = 0.0000 0.0000 0.9810 ( 3324 PWs) bands (ev): -25.1345 -25.1345 -8.0599 -8.0599 -6.9867 -6.9867 -6.8945 -6.8945 -2.1392 -2.1392 0.0677 0.0677 4.4224 4.4224 4.5956 4.5956 5.5767 5.5767 6.2025 6.2025 6.6827 6.6827 6.8214 6.8214 6.8874 6.8874 7.0318 7.0318 7.0943 7.0943 7.3946 7.3946 7.3965 7.3965 7.6656 7.6656 8.0143 8.0143 8.0836 8.0836 8.2003 8.2003 10.5632 10.5632 12.9632 12.9632 13.1107 13.1107 15.2691 15.2691 k = 0.0000 0.0000 0.9810 ( 3324 PWs) bands (ev): -25.1345 -25.1345 -8.0599 -8.0599 -6.9867 -6.9867 -6.8945 -6.8945 -2.1392 -2.1392 0.0677 0.0677 4.4224 4.4224 4.5956 4.5956 5.5767 5.5767 6.2025 6.2025 6.6827 6.6827 6.8214 6.8214 6.8874 6.8874 7.0318 7.0318 7.0943 7.0943 7.3946 7.3946 7.3965 7.3965 7.6656 7.6656 8.0143 8.0143 8.0836 8.0836 8.2003 8.2003 10.5632 10.5632 12.9632 12.9632 13.1107 13.1107 15.2691 15.2691 k =-0.0088 0.0148 0.9810 ( 3320 PWs) bands (ev): -25.1345 -25.1345 -8.0598 -8.0598 -6.9867 -6.9867 -6.8945 -6.8945 -2.1388 -2.1388 0.0661 0.0661 4.4234 4.4234 4.5980 4.5980 5.5762 5.5762 6.2015 6.2015 6.6825 6.6825 6.8213 6.8213 6.8876 6.8876 7.0316 7.0316 7.0941 7.0941 7.3925 7.3925 7.3975 7.3975 7.6665 7.6665 8.0143 8.0143 8.0845 8.0845 8.2028 8.2028 10.5636 10.5636 12.9656 12.9656 13.1106 13.1106 15.2663 15.2663 k =-0.0175 0.0296 0.9810 ( 3318 PWs) bands (ev): -25.1345 -25.1345 -8.0598 -8.0598 -6.9866 -6.9866 -6.8946 -6.8946 -2.1376 -2.1376 0.0616 0.0616 4.4264 4.4264 4.6052 4.6052 5.5746 5.5746 6.1983 6.1983 6.6816 6.6816 6.8211 6.8211 6.8882 6.8882 7.0309 7.0309 7.0936 7.0936 7.3882 7.3882 7.3982 7.3982 7.6692 7.6692 8.0141 8.0141 8.0871 8.0871 8.2103 8.2103 10.5649 10.5649 12.9725 12.9725 13.1104 13.1104 15.2579 15.2579 k =-0.0263 0.0444 0.9810 ( 3318 PWs) bands (ev): -25.1346 -25.1346 -8.0597 -8.0597 -6.9864 -6.9864 -6.8947 -6.8947 -2.1356 -2.1356 0.0540 0.0540 4.4313 4.4313 4.6170 4.6170 5.5719 5.5719 6.1931 6.1931 6.6800 6.6800 6.8208 6.8208 6.8892 6.8892 7.0298 7.0298 7.0926 7.0926 7.3823 7.3823 7.3985 7.3985 7.6737 7.6737 8.0139 8.0139 8.0911 8.0911 8.2228 8.2228 10.5670 10.5670 12.9837 12.9837 13.1101 13.1101 15.2446 15.2446 k =-0.0351 0.0592 0.9810 ( 3312 PWs) bands (ev): -25.1346 -25.1346 -8.0595 -8.0595 -6.9861 -6.9861 -6.8950 -6.8950 -2.1329 -2.1329 0.0434 0.0434 4.4381 4.4381 4.6335 4.6335 5.5681 5.5681 6.1858 6.1858 6.6779 6.6779 6.8205 6.8205 6.8906 6.8906 7.0283 7.0283 7.0912 7.0912 7.3747 7.3747 7.3985 7.3985 7.6801 7.6801 8.0138 8.0138 8.0965 8.0965 8.2401 8.2401 10.5700 10.5700 12.9986 12.9986 13.1096 13.1096 15.2270 15.2270 k =-0.0439 0.0741 0.9810 ( 3320 PWs) bands (ev): -25.1347 -25.1347 -8.0594 -8.0594 -6.9858 -6.9858 -6.8953 -6.8953 -2.1294 -2.1294 0.0301 0.0301 4.4469 4.4469 4.6545 4.6545 5.5632 5.5632 6.1767 6.1767 6.6750 6.6750 6.8202 6.8202 6.8923 6.8923 7.0263 7.0263 7.0894 7.0894 7.3658 7.3658 7.3982 7.3982 7.6884 7.6884 8.0137 8.0137 8.1029 8.1029 8.2622 8.2622 10.5740 10.5740 13.0163 13.0163 13.1091 13.1091 15.2065 15.2065 k =-0.0526 0.0889 0.9810 ( 3316 PWs) bands (ev): -25.1348 -25.1348 -8.0592 -8.0592 -6.9853 -6.9853 -6.8956 -6.8956 -2.1253 -2.1253 0.0140 0.0140 4.4576 4.4576 4.6796 4.6796 5.5570 5.5570 6.1659 6.1659 6.6716 6.6716 6.8200 6.8200 6.8944 6.8944 7.0240 7.0240 7.0871 7.0871 7.3560 7.3560 7.3978 7.3978 7.6989 7.6989 8.0138 8.0138 8.1104 8.1104 8.2887 8.2887 10.5788 10.5788 13.0357 13.0357 13.1086 13.1086 15.1845 15.1845 k =-0.0614 0.1037 0.9810 ( 3320 PWs) bands (ev): -25.1349 -25.1349 -8.0589 -8.0589 -6.9848 -6.9848 -6.8960 -6.8960 -2.1205 -2.1205 -0.0046 -0.0046 4.4703 4.4703 4.7088 4.7088 5.5497 5.5497 6.1536 6.1536 6.6674 6.6674 6.8200 6.8200 6.8967 6.8967 7.0215 7.0215 7.0843 7.0843 7.3455 7.3455 7.3973 7.3973 7.7113 7.7113 8.0142 8.0142 8.1190 8.1190 8.3192 8.3192 10.5846 10.5846 13.0557 13.0557 13.1081 13.1081 15.1631 15.1631 k =-0.0702 0.1185 0.9810 ( 3308 PWs) bands (ev): -25.1350 -25.1350 -8.0586 -8.0586 -6.9842 -6.9842 -6.8964 -6.8964 -2.1152 -2.1152 -0.0255 -0.0255 4.4849 4.4849 4.7416 4.7416 5.5411 5.5411 6.1399 6.1399 6.6626 6.6626 6.8202 6.8202 6.8993 6.8993 7.0188 7.0188 7.0812 7.0812 7.3349 7.3349 7.3966 7.3966 7.7258 7.7258 8.0150 8.0150 8.1287 8.1287 8.3536 8.3536 10.5915 10.5915 13.0746 13.0746 13.1079 13.1079 15.1444 15.1444 k =-0.0790 0.1333 0.9810 ( 3312 PWs) bands (ev): -25.1352 -25.1352 -8.0582 -8.0582 -6.9835 -6.9835 -6.8969 -6.8969 -2.1094 -2.1094 -0.0487 -0.0487 4.5014 4.5014 4.7779 4.7779 5.5311 5.5311 6.1252 6.1252 6.6571 6.6571 6.8207 6.8207 6.9019 6.9019 7.0160 7.0160 7.0775 7.0775 7.3243 7.3243 7.3960 7.3960 7.7424 7.7424 8.0161 8.0161 8.1395 8.1395 8.3913 8.3913 10.5993 10.5993 13.0906 13.0906 13.1083 13.1083 15.1304 15.1304 k =-0.0877 0.1481 0.9810 ( 3314 PWs) bands (ev): -25.1353 -25.1353 -8.0578 -8.0578 -6.9826 -6.9826 -6.8974 -6.8974 -2.1032 -2.1032 -0.0738 -0.0738 4.5197 4.5197 4.8172 4.8172 5.5198 5.5198 6.1099 6.1099 6.6508 6.6508 6.8215 6.8215 6.9046 6.9046 7.0131 7.0131 7.0736 7.0736 7.3141 7.3141 7.3951 7.3951 7.7610 7.7610 8.0178 8.0178 8.1516 8.1516 8.4321 8.4321 10.6083 10.6083 13.1010 13.1010 13.1103 13.1103 15.1230 15.1231 k =-0.0877 0.1481 0.9810 ( 3314 PWs) bands (ev): -25.1353 -25.1353 -8.0578 -8.0578 -6.9826 -6.9826 -6.8974 -6.8974 -2.1032 -2.1032 -0.0738 -0.0738 4.5197 4.5197 4.8172 4.8172 5.5198 5.5198 6.1099 6.1099 6.6508 6.6508 6.8215 6.8215 6.9046 6.9046 7.0131 7.0131 7.0736 7.0736 7.3141 7.3141 7.3951 7.3951 7.7610 7.7610 8.0178 8.0178 8.1516 8.1516 8.4321 8.4321 10.6083 10.6083 13.1010 13.1010 13.1103 13.1103 15.1230 15.1231 k =-0.0944 0.1593 0.9680 ( 3314 PWs) bands (ev): -25.1355 -25.1355 -8.0575 -8.0575 -6.9820 -6.9820 -6.8978 -6.8978 -2.0984 -2.0984 -0.0941 -0.0941 4.5331 4.5331 4.8495 4.8495 5.5114 5.5114 6.0978 6.0978 6.6456 6.6456 6.8224 6.8224 6.9068 6.9068 7.0114 7.0114 7.0706 7.0706 7.3066 7.3066 7.3942 7.3942 7.7767 7.7767 8.0205 8.0205 8.1612 8.1612 8.4649 8.4649 10.6179 10.6179 13.0965 13.0965 13.1175 13.1175 15.1250 15.1250 k =-0.1010 0.1706 0.9549 ( 3314 PWs) bands (ev): -25.1356 -25.1356 -8.0571 -8.0571 -6.9813 -6.9813 -6.8981 -6.8981 -2.0934 -2.0934 -0.1151 -0.1151 4.5437 4.5437 4.8843 4.8843 5.5046 5.5046 6.0853 6.0853 6.6400 6.6400 6.8233 6.8233 6.9094 6.9094 7.0102 7.0102 7.0680 7.0680 7.2995 7.2995 7.3929 7.3929 7.7935 7.7935 8.0258 8.0258 8.1707 8.1707 8.4997 8.4997 10.6323 10.6323 13.0838 13.0838 13.1223 13.1223 15.1367 15.1367 k =-0.1077 0.1818 0.9419 ( 3320 PWs) bands (ev): -25.1358 -25.1358 -8.0567 -8.0567 -6.9807 -6.9807 -6.8983 -6.8983 -2.0884 -2.0884 -0.1368 -0.1368 4.5511 4.5511 4.9215 4.9215 5.4998 5.4998 6.0726 6.0726 6.6341 6.6341 6.8243 6.8243 6.9120 6.9120 7.0096 7.0096 7.0657 7.0657 7.2928 7.2928 7.3912 7.3912 7.8107 7.8107 8.0342 8.0342 8.1799 8.1799 8.5366 8.5366 10.6512 10.6512 13.0653 13.0653 13.1221 13.1221 15.1455 15.1455 k =-0.1143 0.1930 0.9288 ( 3322 PWs) bands (ev): -25.1360 -25.1360 -8.0563 -8.0563 -6.9801 -6.9801 -6.8984 -6.8984 -2.0834 -2.0834 -0.1590 -0.1590 4.5551 4.5551 4.9606 4.9606 5.4973 5.4973 6.0597 6.0597 6.6279 6.6279 6.8256 6.8256 6.9145 6.9145 7.0096 7.0096 7.0637 7.0637 7.2867 7.2867 7.3894 7.3894 7.8276 7.8276 8.0463 8.0463 8.1890 8.1890 8.5760 8.5760 10.6745 10.6745 13.0410 13.0410 13.1171 13.1171 15.0997 15.0997 k =-0.1210 0.2042 0.9158 ( 3320 PWs) bands (ev): -25.1362 -25.1362 -8.0559 -8.0559 -6.9796 -6.9796 -6.8983 -6.8983 -2.0783 -2.0783 -0.1816 -0.1816 4.5556 4.5556 5.0016 5.0016 5.4973 5.4973 6.0468 6.0468 6.6214 6.6214 6.8270 6.8270 6.9167 6.9167 7.0101 7.0101 7.0624 7.0624 7.2812 7.2812 7.3874 7.3874 7.8436 7.8436 8.0620 8.0620 8.1980 8.1980 8.6180 8.6180 10.7022 10.7022 13.0109 13.0109 13.1078 13.1078 15.0306 15.0306 k =-0.1276 0.2154 0.9027 ( 3325 PWs) bands (ev): -25.1364 -25.1364 -8.0554 -8.0554 -6.9793 -6.9793 -6.8979 -6.8979 -2.0732 -2.0732 -0.2045 -0.2045 4.5526 4.5526 5.0440 5.0440 5.4999 5.4999 6.0338 6.0338 6.6146 6.6146 6.8286 6.8286 6.9184 6.9184 7.0107 7.0107 7.0618 7.0618 7.2765 7.2765 7.3851 7.3851 7.8585 7.8585 8.0815 8.0815 8.2072 8.2072 8.6630 8.6630 10.7340 10.7340 12.9752 12.9752 13.0947 13.0947 14.9475 14.9475 k =-0.1343 0.2267 0.8897 ( 3325 PWs) bands (ev): -25.1366 -25.1366 -8.0550 -8.0550 -6.9791 -6.9791 -6.8974 -6.8974 -2.0681 -2.0681 -0.2275 -0.2275 4.5461 4.5461 5.0876 5.0876 5.5051 5.5051 6.0212 6.0212 6.6076 6.6076 6.8304 6.8304 6.9194 6.9194 7.0111 7.0111 7.0624 7.0624 7.2725 7.2725 7.3828 7.3828 7.8724 7.8724 8.1041 8.1041 8.2168 8.2168 8.7113 8.7113 10.7698 10.7698 12.9347 12.9347 13.0781 13.0781 14.8554 14.8554 k =-0.1409 0.2379 0.8766 ( 3329 PWs) bands (ev): -25.1368 -25.1368 -8.0545 -8.0545 -6.9791 -6.9791 -6.8965 -6.8965 -2.0631 -2.0631 -0.2506 -0.2506 4.5363 4.5363 5.1322 5.1322 5.5126 5.5126 6.0088 6.0088 6.6002 6.6002 6.8323 6.8323 6.9197 6.9197 7.0111 7.0111 7.0644 7.0644 7.2692 7.2692 7.3802 7.3802 7.8856 7.8856 8.1288 8.1288 8.2276 8.2276 8.7629 8.7629 10.8093 10.8093 12.8902 12.8902 13.0581 13.0581 14.7582 14.7582 k =-0.1476 0.2491 0.8636 ( 3336 PWs) bands (ev): -25.1370 -25.1370 -8.0541 -8.0541 -6.9793 -6.9793 -6.8954 -6.8954 -2.0581 -2.0581 -0.2735 -0.2735 4.5236 4.5236 5.1775 5.1775 5.5222 5.5222 5.9969 5.9969 6.5925 6.5925 6.8342 6.8342 6.9194 6.9194 7.0103 7.0103 7.0680 7.0680 7.2667 7.2667 7.3774 7.3774 7.8986 7.8986 8.1538 8.1538 8.2406 8.2406 8.8182 8.8182 10.8523 10.8523 12.8424 12.8424 13.0349 13.0349 14.6586 14.6586 k =-0.1542 0.2603 0.8505 ( 3329 PWs) bands (ev): -25.1373 -25.1373 -8.0536 -8.0536 -6.9797 -6.9797 -6.8940 -6.8940 -2.0531 -2.0531 -0.2961 -0.2961 4.5082 4.5082 5.2232 5.2232 5.5337 5.5337 5.9857 5.9857 6.5844 6.5844 6.8363 6.8363 6.9184 6.9184 7.0091 7.0091 7.0730 7.0730 7.2648 7.2648 7.3745 7.3745 7.9120 7.9120 8.1769 8.1769 8.2576 8.2576 8.8773 8.8773 10.8988 10.8988 12.7921 12.7921 13.0085 13.0085 14.5589 14.5589 k =-0.1609 0.2716 0.8375 ( 3328 PWs) bands (ev): -25.1375 -25.1375 -8.0532 -8.0532 -6.9804 -6.9804 -6.8924 -6.8924 -2.0483 -2.0483 -0.3184 -0.3184 4.4905 4.4905 5.2691 5.2691 5.5464 5.5464 5.9752 5.9752 6.5758 6.5758 6.8382 6.8382 6.9170 6.9170 7.0076 7.0076 7.0790 7.0790 7.2636 7.2636 7.3712 7.3712 7.9261 7.9261 8.1959 8.1959 8.2800 8.2800 8.9403 8.9403 10.9483 10.9483 12.7400 12.7400 12.9789 12.9789 14.4607 14.4607 k =-0.1675 0.2828 0.8244 ( 3326 PWs) bands (ev): -25.1377 -25.1377 -8.0528 -8.0528 -6.9812 -6.9812 -6.8905 -6.8905 -2.0435 -2.0435 -0.3403 -0.3403 4.4710 4.4710 5.3150 5.3150 5.5600 5.5600 5.9656 5.9656 6.5668 6.5668 6.8398 6.8398 6.9151 6.9151 7.0062 7.0062 7.0857 7.0857 7.2629 7.2629 7.3677 7.3677 7.9415 7.9415 8.2104 8.2104 8.3078 8.3078 9.0073 9.0073 11.0008 11.0008 12.6867 12.6867 12.9462 12.9462 14.3655 14.3655 k =-0.1742 0.2940 0.8114 ( 3328 PWs) bands (ev): -25.1380 -25.1380 -8.0524 -8.0524 -6.9821 -6.9821 -6.8883 -6.8883 -2.0389 -2.0389 -0.3616 -0.3616 4.4502 4.4502 5.3605 5.3605 5.5740 5.5740 5.9571 5.9571 6.5573 6.5573 6.8411 6.8411 6.9130 6.9130 7.0052 7.0052 7.0927 7.0927 7.2627 7.2627 7.3637 7.3637 7.9585 7.9585 8.2215 8.2215 8.3391 8.3391 9.0785 9.0785 11.0559 11.0559 12.6325 12.6325 12.9104 12.9104 14.2748 14.2748 k =-0.1808 0.3052 0.7984 ( 3328 PWs) bands (ev): -25.1382 -25.1382 -8.0521 -8.0521 -6.9833 -6.9833 -6.8860 -6.8860 -2.0344 -2.0344 -0.3823 -0.3823 4.4283 4.4283 5.4055 5.4055 5.5880 5.5880 5.9500 5.9500 6.5471 6.5471 6.8420 6.8420 6.9108 6.9108 7.0048 7.0048 7.0997 7.0997 7.2630 7.2630 7.3594 7.3594 7.9775 7.9775 8.2305 8.2305 8.3723 8.3723 9.1538 9.1538 11.1135 11.1135 12.5777 12.5777 12.8719 12.8719 14.1896 14.1896 k =-0.1875 0.3165 0.7853 ( 3328 PWs) bands (ev): -25.1385 -25.1385 -8.0517 -8.0517 -6.9845 -6.9845 -6.8835 -6.8835 -2.0301 -2.0301 -0.4022 -0.4022 4.4058 4.4058 5.4497 5.4497 5.6015 5.6015 5.9442 5.9442 6.5363 6.5363 6.8422 6.8422 6.9087 6.9087 7.0053 7.0053 7.1063 7.1063 7.2636 7.2636 7.3547 7.3547 7.9987 7.9987 8.2382 8.2382 8.4059 8.4059 9.2332 9.2332 11.1732 11.1732 12.5226 12.5226 12.8310 12.8310 14.1111 14.1111 k =-0.1941 0.3277 0.7723 ( 3328 PWs) bands (ev): -25.1387 -25.1387 -8.0514 -8.0514 -6.9859 -6.9859 -6.8809 -6.8809 -2.0260 -2.0260 -0.4213 -0.4213 4.3831 4.3831 5.4927 5.4927 5.6144 5.6144 5.9400 5.9400 6.5248 6.5248 6.8419 6.8419 6.9067 6.9067 7.0066 7.0066 7.1125 7.1125 7.2644 7.2644 7.3496 7.3496 8.0221 8.0221 8.2451 8.2451 8.4391 8.4391 9.3167 9.3167 11.2348 11.2348 12.4671 12.4671 12.7880 12.7880 14.0397 14.0397 k =-0.2008 0.3389 0.7592 ( 3326 PWs) bands (ev): -25.1389 -25.1389 -8.0512 -8.0512 -6.9873 -6.9873 -6.8782 -6.8782 -2.0220 -2.0220 -0.4395 -0.4395 4.3605 4.3605 5.5342 5.5342 5.6266 5.6266 5.9375 5.9375 6.5126 6.5126 6.8411 6.8411 6.9050 6.9050 7.0090 7.0090 7.1181 7.1181 7.2655 7.2655 7.3441 7.3441 8.0480 8.0480 8.2515 8.2515 8.4710 8.4710 9.4041 9.4041 11.2980 11.2980 12.4113 12.4113 12.7439 12.7439 13.9726 13.9726 k =-0.2074 0.3501 0.7462 ( 3322 PWs) bands (ev): -25.1391 -25.1391 -8.0509 -8.0509 -6.9887 -6.9887 -6.8755 -6.8755 -2.0183 -2.0183 -0.4568 -0.4568 4.3383 4.3383 5.5733 5.5733 5.6387 5.6387 5.9366 5.9366 6.4998 6.4998 6.8399 6.8399 6.9034 6.9034 7.0123 7.0123 7.1229 7.1229 7.2667 7.2667 7.3382 7.3382 8.0762 8.0762 8.2576 8.2576 8.5010 8.5010 9.4952 9.4952 11.3624 11.3624 12.3552 12.3552 12.6993 12.6993 13.8270 13.8270 k =-0.2141 0.3614 0.7331 ( 3324 PWs) bands (ev): -25.1393 -25.1393 -8.0507 -8.0507 -6.9901 -6.9901 -6.8728 -6.8728 -2.0148 -2.0148 -0.4730 -0.4730 4.3167 4.3167 5.6071 5.6071 5.6529 5.6529 5.9372 5.9372 6.4862 6.4862 6.8384 6.8384 6.9020 6.9020 7.0164 7.0164 7.1271 7.1271 7.2678 7.2678 7.3320 7.3320 8.1066 8.1066 8.2633 8.2633 8.5285 8.5285 9.5897 9.5897 11.4276 11.4276 12.2990 12.2990 12.6554 12.6554 13.6581 13.6581 k =-0.2207 0.3726 0.7201 ( 3322 PWs) bands (ev): -25.1395 -25.1395 -8.0505 -8.0505 -6.9915 -6.9915 -6.8702 -6.8702 -2.0115 -2.0115 -0.4881 -0.4881 4.2960 4.2960 5.6298 5.6298 5.6751 5.6751 5.9394 5.9394 6.4720 6.4720 6.8368 6.8368 6.9006 6.9006 7.0214 7.0214 7.1306 7.1306 7.2690 7.2690 7.3257 7.3257 8.1389 8.1389 8.2689 8.2689 8.5532 8.5532 9.6873 9.6873 11.4932 11.4932 12.2429 12.2429 12.6131 12.6131 13.4905 13.4905 k =-0.2274 0.3838 0.7070 ( 3312 PWs) bands (ev): -25.1397 -25.1397 -8.0504 -8.0504 -6.9929 -6.9929 -6.8677 -6.8677 -2.0085 -2.0085 -0.5021 -0.5021 4.2764 4.2764 5.6413 5.6413 5.7055 5.7055 5.9427 5.9427 6.4575 6.4575 6.8354 6.8354 6.8993 6.8993 7.0270 7.0270 7.1334 7.1334 7.2700 7.2700 7.3192 7.3192 8.1727 8.1727 8.2746 8.2746 8.5745 8.5745 9.7873 9.7873 11.5586 11.5586 12.1873 12.1873 12.5733 12.5733 13.3256 13.3256 k =-0.2340 0.3950 0.6940 ( 3324 PWs) bands (ev): -25.1399 -25.1399 -8.0503 -8.0503 -6.9942 -6.9942 -6.8652 -6.8652 -2.0057 -2.0057 -0.5149 -0.5149 4.2582 4.2582 5.6473 5.6473 5.7379 5.7379 5.9469 5.9469 6.4424 6.4424 6.8340 6.8340 6.8978 6.8978 7.0330 7.0330 7.1357 7.1357 7.2706 7.2706 7.3126 7.3126 8.2070 8.2070 8.2809 8.2809 8.5920 8.5920 9.8892 9.8892 11.6232 11.6232 12.1329 12.1329 12.5365 12.5365 13.1643 13.1643 k =-0.2407 0.4063 0.6809 ( 3322 PWs) bands (ev): -25.1400 -25.1400 -8.0501 -8.0501 -6.9954 -6.9954 -6.8630 -6.8630 -2.0032 -2.0032 -0.5264 -0.5264 4.2414 4.2414 5.6509 5.6509 5.7697 5.7697 5.9517 5.9517 6.4274 6.4274 6.8330 6.8330 6.8963 6.8963 7.0394 7.0394 7.1377 7.1377 7.2709 7.2709 7.3063 7.3063 8.2394 8.2394 8.2900 8.2900 8.6054 8.6054 9.9920 9.9920 11.6861 11.6861 12.0806 12.0806 12.5034 12.5034 13.0080 13.0080 k =-0.2473 0.4175 0.6679 ( 3328 PWs) bands (ev): -25.1402 -25.1402 -8.0501 -8.0501 -6.9965 -6.9965 -6.8609 -6.8609 -2.0010 -2.0010 -0.5367 -0.5367 4.2263 4.2263 5.6529 5.6529 5.7996 5.7996 5.9568 5.9568 6.4125 6.4125 6.8321 6.8321 6.8948 6.8948 7.0458 7.0458 7.1392 7.1392 7.2705 7.2705 7.3005 7.3005 8.2635 8.2635 8.3076 8.3076 8.6144 8.6144 10.0944 10.0944 11.7464 11.7464 12.0313 12.0313 12.4741 12.4741 12.8582 12.8582 k =-0.2540 0.4287 0.6548 ( 3322 PWs) bands (ev): -25.1403 -25.1403 -8.0500 -8.0500 -6.9975 -6.9975 -6.8591 -6.8591 -1.9991 -1.9991 -0.5457 -0.5457 4.2129 4.2129 5.6541 5.6541 5.8271 5.8271 5.9619 5.9619 6.3980 6.3980 6.8315 6.8315 6.8934 6.8934 7.0520 7.0520 7.1406 7.1406 7.2693 7.2693 7.2956 7.2956 8.2754 8.2754 8.3370 8.3370 8.6187 8.6187 10.1948 10.1948 11.8028 11.8028 11.9861 11.9861 12.4487 12.4487 12.7169 12.7169 k =-0.2606 0.4399 0.6418 ( 3316 PWs) bands (ev): -25.1404 -25.1404 -8.0499 -8.0499 -6.9984 -6.9984 -6.8575 -6.8575 -1.9974 -1.9974 -0.5533 -0.5533 4.2015 4.2015 5.6546 5.6546 5.8517 5.8517 5.9667 5.9667 6.3845 6.3845 6.8312 6.8312 6.8920 6.8920 7.0579 7.0579 7.1418 7.1418 7.2673 7.2673 7.2919 7.2919 8.2814 8.2814 8.3716 8.3716 8.6184 8.6184 10.2909 10.2909 11.8537 11.8537 11.9461 11.9461 12.4272 12.4272 12.5869 12.5869 k =-0.2673 0.4512 0.6288 ( 3316 PWs) bands (ev): -25.1405 -25.1405 -8.0499 -8.0499 -6.9991 -6.9991 -6.8561 -6.8561 -1.9960 -1.9960 -0.5596 -0.5596 4.1919 4.1919 5.6548 5.6548 5.8728 5.8728 5.9711 5.9711 6.3722 6.3722 6.8311 6.8311 6.8908 6.8908 7.0631 7.0631 7.1429 7.1429 7.2644 7.2644 7.2895 7.2895 8.2850 8.2850 8.4067 8.4067 8.6135 8.6135 10.3797 10.3797 11.8944 11.8944 11.9154 11.9154 12.4084 12.4084 12.4725 12.4725 k =-0.2739 0.4624 0.6157 ( 3312 PWs) bands (ev): -25.1406 -25.1406 -8.0498 -8.0498 -6.9997 -6.9997 -6.8550 -6.8550 -1.9950 -1.9950 -0.5645 -0.5645 4.1845 4.1845 5.6548 5.6548 5.8899 5.8899 5.9748 5.9748 6.3619 6.3619 6.8310 6.8310 6.8897 6.8897 7.0674 7.0674 7.1439 7.1439 7.2613 7.2613 7.2880 7.2880 8.2875 8.2875 8.4405 8.4405 8.6043 8.6043 10.4570 10.4570 11.8820 11.8820 11.9358 11.9358 12.3669 12.3669 12.4035 12.4035 k =-0.2806 0.4736 0.6027 ( 3317 PWs) bands (ev): -25.1406 -25.1406 -8.0498 -8.0498 -7.0001 -7.0001 -6.8543 -6.8543 -1.9942 -1.9942 -0.5680 -0.5680 4.1791 4.1791 5.6546 5.6546 5.9025 5.9025 5.9777 5.9777 6.3539 6.3539 6.8311 6.8311 6.8889 6.8889 7.0707 7.0707 7.1446 7.1446 7.2585 7.2585 7.2872 7.2872 8.2891 8.2891 8.4711 8.4711 8.5915 8.5915 10.5180 10.5180 11.8624 11.8624 11.9602 11.9602 12.2970 12.2970 12.3905 12.3905 k =-0.2872 0.4848 0.5896 ( 3317 PWs) bands (ev): -25.1406 -25.1406 -8.0498 -8.0498 -7.0004 -7.0004 -6.8538 -6.8538 -1.9937 -1.9937 -0.5701 -0.5701 4.1758 4.1758 5.6545 5.6545 5.9102 5.9102 5.9796 5.9796 6.3489 6.3489 6.8311 6.8311 6.8883 6.8883 7.0727 7.0727 7.1452 7.1452 7.2566 7.2566 7.2868 7.2868 8.2901 8.2901 8.4959 8.4959 8.5777 8.5777 10.5576 10.5576 11.8503 11.8503 11.9740 11.9740 12.2522 12.2522 12.3844 12.3844 k =-0.2939 0.4961 0.5766 ( 3321 PWs) bands (ev): -25.1407 -25.1407 -8.0498 -8.0498 -7.0004 -7.0004 -6.8537 -6.8537 -1.9936 -1.9936 -0.5709 -0.5709 4.1748 4.1748 5.6545 5.6545 5.9127 5.9127 5.9802 5.9802 6.3472 6.3472 6.8311 6.8311 6.8881 6.8881 7.0734 7.0734 7.1453 7.1453 7.2559 7.2559 7.2866 7.2866 8.2904 8.2904 8.5068 8.5068 8.5705 8.5705 10.5713 10.5713 11.8462 11.8462 11.9783 11.9783 12.2371 12.2371 12.3825 12.3825 k =-0.2939 0.4961 0.5766 ( 3321 PWs) bands (ev): -25.1407 -25.1407 -8.0498 -8.0498 -7.0004 -7.0004 -6.8537 -6.8537 -1.9936 -1.9936 -0.5709 -0.5709 4.1748 4.1748 5.6545 5.6545 5.9127 5.9127 5.9802 5.9802 6.3472 6.3472 6.8311 6.8311 6.8881 6.8881 7.0734 7.0734 7.1453 7.1453 7.2559 7.2559 7.2866 7.2866 8.2904 8.2904 8.5068 8.5068 8.5705 8.5705 10.5713 10.5713 11.8462 11.8462 11.9783 11.9783 12.2371 12.2371 12.3825 12.3825 k =-0.2872 0.4848 0.5635 ( 3319 PWs) bands (ev): -25.1405 -25.1405 -8.0508 -8.0508 -7.0027 -7.0027 -6.8526 -6.8526 -1.9973 -1.9973 -0.5390 -0.5390 4.1408 4.1408 5.6438 5.6438 5.9087 5.9087 5.9691 5.9691 6.3571 6.3571 6.8322 6.8322 6.8998 6.8998 7.0711 7.0711 7.1399 7.1399 7.2426 7.2426 7.2784 7.2784 8.2398 8.2398 8.4893 8.4893 8.5757 8.5757 10.5084 10.5084 11.9060 11.9060 12.0475 12.0475 12.1975 12.1975 12.4352 12.4352 k =-0.2805 0.4735 0.5504 ( 3321 PWs) bands (ev): -25.1404 -25.1404 -8.0517 -8.0517 -7.0046 -7.0046 -6.8516 -6.8516 -2.0032 -2.0032 -0.5070 -0.5070 4.1109 4.1109 5.6314 5.6314 5.9055 5.9055 5.9591 5.9591 6.3673 6.3673 6.8320 6.8320 6.9113 6.9113 7.0697 7.0697 7.1364 7.1364 7.2285 7.2285 7.2724 7.2724 8.1906 8.1906 8.4671 8.4671 8.5876 8.5876 10.4432 10.4432 11.9624 11.9624 12.1176 12.1176 12.1626 12.1626 12.4945 12.4945 k =-0.2738 0.4622 0.5373 ( 3317 PWs) bands (ev): -25.1404 -25.1404 -8.0524 -8.0524 -7.0061 -7.0061 -6.8507 -6.8507 -2.0113 -2.0113 -0.4749 -0.4749 4.0848 4.0848 5.6172 5.6172 5.9031 5.9031 5.9503 5.9503 6.3776 6.3776 6.8308 6.8308 6.9223 6.9223 7.0690 7.0690 7.1350 7.1350 7.2146 7.2146 7.2681 7.2681 8.1428 8.1428 8.4447 8.4447 8.6022 8.6022 10.3761 10.3761 12.0152 12.0152 12.1254 12.1254 12.1958 12.1958 12.5594 12.5594 k =-0.2672 0.4510 0.5242 ( 3317 PWs) bands (ev): -25.1403 -25.1403 -8.0529 -8.0529 -7.0072 -7.0072 -6.8499 -6.8499 -2.0216 -2.0216 -0.4427 -0.4427 4.0626 4.0626 5.6014 5.6014 5.9013 5.9013 5.9431 5.9431 6.3883 6.3883 6.8289 6.8289 6.9325 6.9325 7.0687 7.0687 7.1357 7.1357 7.2016 7.2016 7.2650 7.2650 8.0965 8.0965 8.4233 8.4233 8.6182 8.6182 10.3073 10.3073 12.0634 12.0634 12.0976 12.0976 12.2712 12.2712 12.6292 12.6292 k =-0.2605 0.4397 0.5111 ( 3319 PWs) bands (ev): -25.1403 -25.1403 -8.0532 -8.0532 -7.0079 -7.0079 -6.8493 -6.8493 -2.0341 -2.0341 -0.4107 -0.4107 4.0442 4.0442 5.5841 5.5841 5.9000 5.9000 5.9379 5.9379 6.3991 6.3991 6.8263 6.8263 6.9416 6.9416 7.0686 7.0686 7.1386 7.1386 7.1901 7.1901 7.2630 7.2630 8.0516 8.0516 8.4035 8.4035 8.6351 8.6351 10.2372 10.2372 12.0678 12.0678 12.1122 12.1122 12.3495 12.3495 12.7028 12.7028 k =-0.2538 0.4284 0.4979 ( 3313 PWs) bands (ev): -25.1402 -25.1402 -8.0532 -8.0532 -7.0081 -7.0081 -6.8487 -6.8487 -2.0489 -2.0489 -0.3788 -0.3788 4.0294 4.0294 5.5656 5.5656 5.8986 5.8986 5.9350 5.9350 6.4102 6.4102 6.8235 6.8235 6.9495 6.9495 7.0684 7.0684 7.1437 7.1437 7.1806 7.1806 7.2622 7.2622 8.0080 8.0080 8.3856 8.3856 8.6529 8.6529 10.1660 10.1660 12.0452 12.0452 12.1531 12.1531 12.4298 12.4298 12.7794 12.7794 k =-0.2471 0.4171 0.4848 ( 3315 PWs) bands (ev): -25.1402 -25.1402 -8.0531 -8.0531 -7.0080 -7.0080 -6.8482 -6.8482 -2.0658 -2.0658 -0.3471 -0.3471 4.0180 4.0180 5.5461 5.5461 5.8970 5.8970 5.9350 5.9350 6.4215 6.4215 6.8205 6.8205 6.9557 6.9557 7.0679 7.0679 7.1508 7.1508 7.1738 7.1738 7.2621 7.2621 7.9658 7.9658 8.3696 8.3696 8.6714 8.6714 10.0939 10.0939 12.0250 12.0250 12.1903 12.1903 12.5121 12.5121 12.8579 12.8579 k =-0.2404 0.4059 0.4717 ( 3311 PWs) bands (ev): -25.1403 -25.1403 -8.0527 -8.0527 -7.0074 -7.0074 -6.8478 -6.8478 -2.0847 -2.0847 -0.3158 -0.3158 4.0096 4.0096 5.5263 5.5263 5.8950 5.8950 5.9381 5.9381 6.4330 6.4330 6.8175 6.8175 6.9598 6.9598 7.0672 7.0672 7.1595 7.1595 7.1704 7.1704 7.2630 7.2630 7.9249 7.9249 8.3556 8.3556 8.6908 8.6908 10.0213 10.0213 12.0079 12.0079 12.2228 12.2228 12.5961 12.5961 12.9374 12.9374 k =-0.2338 0.3946 0.4586 ( 3315 PWs) bands (ev): -25.1403 -25.1403 -8.0521 -8.0521 -7.0064 -7.0064 -6.8476 -6.8476 -2.1057 -2.1057 -0.2849 -0.2849 4.0039 4.0039 5.5063 5.5063 5.8928 5.8928 5.9441 5.9441 6.4447 6.4447 6.8147 6.8147 6.9612 6.9612 7.0669 7.0669 7.1668 7.1668 7.1729 7.1729 7.2646 7.2646 7.8854 7.8854 8.3437 8.3437 8.7111 8.7111 9.9482 9.9482 11.9937 11.9937 12.2500 12.2500 12.6818 12.6818 13.0171 13.0171 k =-0.2271 0.3833 0.4455 ( 3325 PWs) bands (ev): -25.1404 -25.1404 -8.0513 -8.0513 -7.0050 -7.0050 -6.8475 -6.8475 -2.1285 -2.1285 -0.2546 -0.2546 4.0006 4.0006 5.4868 5.4868 5.8908 5.8908 5.9529 5.9529 6.4566 6.4566 6.8121 6.8121 6.9597 6.9597 7.0676 7.0676 7.1699 7.1699 7.1837 7.1837 7.2671 7.2671 7.8471 7.8471 8.3338 8.3338 8.7321 8.7321 9.8750 9.8750 11.9826 11.9826 12.2711 12.2711 12.7688 12.7688 13.0962 13.0962 k =-0.2204 0.3720 0.4324 ( 3323 PWs) bands (ev): -25.1405 -25.1405 -8.0503 -8.0503 -7.0032 -7.0032 -6.8474 -6.8474 -2.1532 -2.1532 -0.2248 -0.2248 3.9992 3.9992 5.4683 5.4683 5.8891 5.8891 5.9642 5.9642 6.4687 6.4687 6.8099 6.8099 6.9551 6.9551 7.0701 7.0701 7.1744 7.1744 7.1966 7.1966 7.2703 7.2703 7.8103 7.8103 8.3261 8.3261 8.7542 8.7542 9.8018 9.8018 11.9743 11.9743 12.2853 12.2853 12.8571 12.8571 13.1738 13.1738 k =-0.2137 0.3608 0.4193 ( 3323 PWs) bands (ev): -25.1406 -25.1406 -8.0491 -8.0491 -7.0009 -7.0009 -6.8475 -6.8475 -2.1794 -2.1794 -0.1956 -0.1956 3.9991 3.9991 5.4513 5.4513 5.8880 5.8880 5.9780 5.9780 6.4809 6.4809 6.8082 6.8082 6.9478 6.9478 7.0745 7.0745 7.1807 7.1807 7.2104 7.2104 7.2744 7.2744 7.7748 7.7748 8.3206 8.3206 8.7771 8.7771 9.7288 9.7288 11.9688 11.9688 12.2917 12.2917 12.9463 12.9463 13.2493 13.2493 k =-0.2070 0.3495 0.4062 ( 3327 PWs) bands (ev): -25.1407 -25.1407 -8.0477 -8.0477 -6.9983 -6.9983 -6.8477 -6.8477 -2.2072 -2.2072 -0.1673 -0.1673 3.9999 3.9999 5.4364 5.4364 5.8875 5.8875 5.9943 5.9943 6.4933 6.4933 6.8070 6.8070 6.9383 6.9383 7.0806 7.0806 7.1885 7.1885 7.2246 7.2246 7.2794 7.2794 7.7407 7.7407 8.3172 8.3172 8.8010 8.8010 9.6561 9.6561 11.9660 11.9660 12.2897 12.2897 13.0362 13.0362 13.3222 13.3222 k =-0.2004 0.3382 0.3931 ( 3331 PWs) bands (ev): -25.1409 -25.1409 -8.0461 -8.0461 -6.9952 -6.9952 -6.8479 -6.8479 -2.2363 -2.2363 -0.1397 -0.1397 4.0011 4.0011 5.4241 5.4241 5.8876 5.8876 6.0129 6.0129 6.5058 6.5058 6.8062 6.8062 6.9273 6.9273 7.0882 7.0882 7.1973 7.1973 7.2388 7.2388 7.2856 7.2856 7.7081 7.7081 8.3161 8.3161 8.8259 8.8259 9.5838 9.5838 11.9659 11.9659 12.2787 12.2787 13.1262 13.1262 13.3918 13.3918 k =-0.1937 0.3269 0.3800 ( 3329 PWs) bands (ev): -25.1410 -25.1410 -8.0444 -8.0444 -6.9918 -6.9918 -6.8483 -6.8483 -2.2666 -2.2666 -0.1130 -0.1130 4.0020 4.0020 5.4151 5.4151 5.8884 5.8884 6.0338 6.0338 6.5184 6.5184 6.8059 6.8059 6.9155 6.9155 7.0970 7.0970 7.2070 7.2070 7.2525 7.2525 7.2934 7.2934 7.6770 7.6770 8.3173 8.3173 8.8517 8.8517 9.5122 9.5122 11.9683 11.9683 12.2586 12.2586 13.2160 13.2160 13.4580 13.4580 k =-0.1870 0.3157 0.3669 ( 3333 PWs) bands (ev): -25.1412 -25.1412 -8.0425 -8.0425 -6.9880 -6.9880 -6.8488 -6.8488 -2.2979 -2.2979 -0.0872 -0.0872 4.0023 4.0023 5.4097 5.4097 5.8898 5.8898 6.0570 6.0570 6.5310 6.5310 6.8058 6.8058 6.9034 6.9034 7.1067 7.1067 7.2172 7.2172 7.2650 7.2650 7.3032 7.3032 7.6476 7.6476 8.3210 8.3210 8.8785 8.8785 9.4412 9.4412 11.9731 11.9731 12.2295 12.2295 13.3048 13.3048 13.5203 13.5203 k =-0.1803 0.3044 0.3538 ( 3323 PWs) bands (ev): -25.1414 -25.1414 -8.0405 -8.0405 -6.9838 -6.9838 -6.8493 -6.8493 -2.3300 -2.3300 -0.0624 -0.0624 4.0014 4.0014 5.4083 5.4083 5.8919 5.8919 6.0824 6.0824 6.5438 6.5438 6.8058 6.8058 6.8918 6.8918 7.1171 7.1171 7.2279 7.2279 7.2760 7.2760 7.3153 7.3153 7.6200 7.6200 8.3272 8.3272 8.9063 8.9063 9.3711 9.3711 11.9802 11.9802 12.1917 12.1917 13.3916 13.3916 13.5787 13.5787 k =-0.1736 0.2931 0.3407 ( 3325 PWs) bands (ev): -25.1416 -25.1416 -8.0383 -8.0383 -6.9793 -6.9793 -6.8499 -6.8499 -2.3628 -2.3628 -0.0387 -0.0387 3.9990 3.9990 5.4112 5.4112 5.8945 5.8945 6.1099 6.1099 6.5564 6.5564 6.8053 6.8053 6.8812 6.8812 7.1279 7.1279 7.2385 7.2385 7.2856 7.2856 7.3294 7.3294 7.5944 7.5944 8.3361 8.3361 8.9350 8.9350 9.3019 9.3019 11.9895 11.9895 12.1460 12.1460 13.4750 13.4750 13.6328 13.6328 k =-0.1670 0.2819 0.3276 ( 3321 PWs) bands (ev): -25.1419 -25.1419 -8.0361 -8.0361 -6.9745 -6.9745 -6.8506 -6.8506 -2.3962 -2.3962 -0.0160 -0.0160 3.9948 3.9948 5.4186 5.4186 5.8977 5.8977 6.1391 6.1391 6.5691 6.5691 6.8037 6.8037 6.8726 6.8726 7.1389 7.1389 7.2492 7.2492 7.2943 7.2943 7.3450 7.3450 7.5710 7.5710 8.3478 8.3478 8.9646 8.9646 9.2337 9.2337 12.0008 12.0008 12.0934 12.0934 13.5525 13.5525 13.6828 13.6828 k =-0.1603 0.2706 0.3145 ( 3323 PWs) bands (ev): -25.1421 -25.1421 -8.0337 -8.0337 -6.9694 -6.9694 -6.8513 -6.8513 -2.4298 -2.4298 0.0056 0.0056 3.9887 3.9887 5.4304 5.4304 5.9014 5.9014 6.1700 6.1700 6.5815 6.5815 6.8001 6.8001 6.8671 6.8671 7.1500 7.1500 7.2598 7.2598 7.3026 7.3026 7.3615 7.3615 7.5502 7.5502 8.3625 8.3625 8.9948 8.9948 9.1667 9.1667 12.0137 12.0137 12.0350 12.0350 13.6202 13.6202 13.7291 13.7291 k =-0.1536 0.2593 0.3014 ( 3327 PWs) bands (ev): -25.1423 -25.1423 -8.0314 -8.0314 -6.9641 -6.9641 -6.8520 -6.8520 -2.4637 -2.4637 0.0261 0.0261 3.9804 3.9804 5.4465 5.4465 5.9055 5.9055 6.2023 6.2023 6.5937 6.5937 6.7941 6.7941 6.8651 6.8651 7.1606 7.1606 7.2704 7.2704 7.3106 7.3106 7.3785 7.3785 7.5324 7.5324 8.3803 8.3803 9.0249 9.0249 9.1018 9.1018 11.9710 11.9710 12.0291 12.0291 13.6725 13.6725 13.7726 13.7726 k =-0.1469 0.2480 0.2883 ( 3323 PWs) bands (ev): -25.1426 -25.1426 -8.0289 -8.0289 -6.9585 -6.9585 -6.8528 -6.8528 -2.4975 -2.4975 0.0455 0.0455 3.9702 3.9702 5.4668 5.4668 5.9102 5.9102 6.2355 6.2355 6.6056 6.6056 6.7861 6.7861 6.8666 6.8666 7.1707 7.1707 7.2811 7.2811 7.3183 7.3183 7.3958 7.3958 7.5181 7.5181 8.4015 8.4015 9.0285 9.0285 9.0653 9.0653 11.9036 11.9036 12.0454 12.0454 13.7037 13.7037 13.8116 13.8116 k =-0.1403 0.2368 0.2752 ( 3317 PWs) bands (ev): -25.1428 -25.1428 -8.0265 -8.0265 -6.9527 -6.9527 -6.8537 -6.8537 -2.5312 -2.5312 0.0638 0.0638 3.9581 3.9581 5.4907 5.4907 5.9152 5.9152 6.2694 6.2694 6.6169 6.6169 6.7769 6.7769 6.8707 6.8707 7.1796 7.1796 7.2922 7.2922 7.3257 7.3257 7.4132 7.4132 7.5079 7.5079 8.4262 8.4262 8.9690 8.9690 9.0938 9.0938 11.8333 11.8333 12.0632 12.0632 13.7115 13.7115 13.8393 13.8393 k =-0.1336 0.2255 0.2621 ( 3317 PWs) bands (ev): -25.1431 -25.1431 -8.0240 -8.0240 -6.9468 -6.9468 -6.8545 -6.8545 -2.5645 -2.5645 0.0809 0.0809 3.9443 3.9443 5.5180 5.5180 5.9205 5.9205 6.3036 6.3036 6.6275 6.6275 6.7673 6.7673 6.8766 6.8766 7.1871 7.1871 7.3039 7.3039 7.3325 7.3325 7.4306 7.4306 7.5023 7.5023 8.4546 8.4546 8.9070 8.9070 9.1267 9.1267 11.7608 11.7608 12.0821 12.0821 13.6953 13.6953 13.8457 13.8457 k =-0.1269 0.2142 0.2490 ( 3321 PWs) bands (ev): -25.1434 -25.1434 -8.0215 -8.0215 -6.9407 -6.9407 -6.8553 -6.8553 -2.5973 -2.5973 0.0969 0.0969 3.9291 3.9291 5.5480 5.5480 5.9261 5.9261 6.3374 6.3374 6.6369 6.6369 6.7582 6.7582 6.8837 6.8837 7.1930 7.1930 7.3163 7.3163 7.3387 7.3387 7.4476 7.4476 7.5020 7.5020 8.4869 8.4869 8.8461 8.8461 9.1603 9.1603 11.6870 11.6870 12.1018 12.1018 13.6549 13.6549 13.8227 13.8227 k =-0.1202 0.2029 0.2359 ( 3323 PWs) bands (ev): -25.1436 -25.1436 -8.0191 -8.0191 -6.9346 -6.9346 -6.8561 -6.8561 -2.6295 -2.6295 0.1118 0.1118 3.9127 3.9127 5.5802 5.5802 5.9319 5.9319 6.3707 6.3707 6.6447 6.6447 6.7503 6.7503 6.8914 6.8914 7.1974 7.1974 7.3287 7.3287 7.3450 7.3450 7.4642 7.4642 7.5075 7.5075 8.5230 8.5230 8.7866 8.7866 9.1944 9.1944 11.6125 11.6125 12.1222 12.1222 13.5910 13.5910 13.7673 13.7673 k =-0.1135 0.1917 0.2228 ( 3323 PWs) bands (ev): -25.1439 -25.1439 -8.0167 -8.0167 -6.9285 -6.9285 -6.8569 -6.8569 -2.6609 -2.6609 0.1256 0.1256 3.8954 3.8954 5.6141 5.6141 5.9379 5.9379 6.4029 6.4029 6.6502 6.6502 6.7444 6.7444 6.8992 6.8992 7.2007 7.2007 7.3381 7.3381 7.3543 7.3543 7.4808 7.4808 7.5185 7.5185 8.5628 8.5628 8.7291 8.7291 9.2287 9.2287 11.5377 11.5377 12.1428 12.1428 13.5067 13.5067 13.6829 13.6829 k =-0.1069 0.1804 0.2097 ( 3325 PWs) bands (ev): -25.1441 -25.1441 -8.0144 -8.0144 -6.9225 -6.9225 -6.8576 -6.8576 -2.6913 -2.6913 0.1384 0.1384 3.8776 3.8776 5.6490 5.6490 5.9440 5.9440 6.4337 6.4337 6.6529 6.6529 6.7411 6.7411 6.9065 6.9065 7.2034 7.2034 7.3429 7.3429 7.3678 7.3678 7.4980 7.4980 7.5344 7.5344 8.6034 8.6034 8.6766 8.6766 9.2631 9.2631 11.4630 11.4630 12.1632 12.1632 13.4061 13.4061 13.5769 13.5769 k =-0.1002 0.1691 0.1966 ( 3321 PWs) bands (ev): -25.1444 -25.1444 -8.0121 -8.0121 -6.9165 -6.9165 -6.8582 -6.8582 -2.7206 -2.7206 0.1502 0.1502 3.8595 3.8595 5.6844 5.6844 5.9502 5.9502 6.4628 6.4628 6.6526 6.6526 6.7409 6.7409 6.9127 6.9127 7.2063 7.2063 7.3453 7.3453 7.3830 7.3830 7.5166 7.5166 7.5546 7.5546 8.6034 8.6034 8.6706 8.6706 9.2973 9.2973 11.3887 11.3887 12.1830 12.1830 13.2940 13.2940 13.4572 13.4572 k =-0.0935 0.1578 0.1835 ( 3313 PWs) bands (ev): -25.1446 -25.1446 -8.0099 -8.0099 -6.9107 -6.9107 -6.8587 -6.8587 -2.7488 -2.7488 0.1609 0.1609 3.8415 3.8415 5.7199 5.7199 5.9564 5.9564 6.4899 6.4899 6.6497 6.6497 6.7432 6.7432 6.9175 6.9175 7.2099 7.2099 7.3466 7.3466 7.3984 7.3984 7.5366 7.5366 7.5788 7.5788 8.5547 8.5547 8.7193 8.7193 9.3311 9.3311 11.3148 11.3148 12.2015 12.2015 13.1743 13.1743 13.3305 13.3305 k =-0.0868 0.1466 0.1704 ( 3311 PWs) bands (ev): -25.1449 -25.1449 -8.0079 -8.0079 -6.9052 -6.9052 -6.8591 -6.8591 -2.7756 -2.7756 0.1707 0.1707 3.8237 3.8237 5.7548 5.7548 5.9626 5.9626 6.5147 6.5147 6.6451 6.6451 6.7474 6.7474 6.9204 6.9204 7.2144 7.2144 7.3473 7.3473 7.4130 7.4130 7.5576 7.5576 7.6073 7.6073 8.5029 8.5029 8.7769 8.7769 9.3643 9.3643 11.2416 11.2416 12.2179 12.2179 13.0506 13.0506 13.2021 13.2021 k =-0.0801 0.1353 0.1572 ( 3311 PWs) bands (ev): -25.1451 -25.1451 -8.0059 -8.0059 -6.9001 -6.9001 -6.8592 -6.8592 -2.8009 -2.8009 0.1796 0.1796 3.8063 3.8063 5.7886 5.7886 5.9686 5.9686 6.5372 6.5372 6.6398 6.6398 6.7524 6.7524 6.9214 6.9214 7.2201 7.2201 7.3474 7.3474 7.4266 7.4266 7.5791 7.5791 7.6402 7.6402 8.4520 8.4520 8.8397 8.8397 9.3967 9.3967 11.1688 11.1688 12.2310 12.2310 12.9258 12.9258 13.0763 13.0763 k =-0.0735 0.1240 0.1441 ( 3317 PWs) bands (ev): -25.1453 -25.1453 -8.0041 -8.0041 -6.8954 -6.8954 -6.8591 -6.8591 -2.8246 -2.8246 0.1876 0.1876 3.7897 3.7897 5.8211 5.8211 5.9745 5.9745 6.5568 6.5568 6.6350 6.6350 6.7576 6.7576 6.9205 6.9205 7.2268 7.2268 7.3471 7.3471 7.4390 7.4390 7.6010 7.6010 7.6768 7.6768 8.4024 8.4024 8.9069 8.9069 9.4280 9.4280 11.0964 11.0964 12.2391 12.2391 12.8024 12.8024 12.9571 12.9571 k =-0.0668 0.1127 0.1310 ( 3321 PWs) bands (ev): -25.1455 -25.1455 -8.0024 -8.0024 -6.8913 -6.8913 -6.8586 -6.8586 -2.8467 -2.8467 0.1947 0.1947 3.7739 3.7739 5.8517 5.8517 5.9801 5.9801 6.5726 6.5726 6.6321 6.6321 6.7624 6.7624 6.9181 6.9181 7.2343 7.2343 7.3464 7.3464 7.4502 7.4502 7.6232 7.6232 7.7166 7.7166 8.3543 8.3543 8.9779 8.9779 9.4580 9.4580 11.0243 11.0243 12.2398 12.2398 12.6826 12.6826 12.8489 12.8489 k =-0.0601 0.1015 0.1179 ( 3325 PWs) bands (ev): -25.1457 -25.1457 -8.0008 -8.0008 -6.8878 -6.8878 -6.8578 -6.8578 -2.8670 -2.8670 0.2011 0.2011 3.7592 3.7592 5.8802 5.8802 5.9854 5.9854 6.5829 6.5829 6.6334 6.6334 6.7665 6.7665 6.9147 6.9147 7.2425 7.2425 7.3452 7.3452 7.4601 7.4601 7.6458 7.6458 7.7582 7.7582 8.3078 8.3078 9.0522 9.0522 9.4865 9.4865 10.9522 10.9522 12.2299 12.2299 12.5683 12.5683 12.7562 12.7562 k =-0.0534 0.0902 0.1048 ( 3333 PWs) bands (ev): -25.1459 -25.1459 -7.9994 -7.9994 -6.8851 -6.8851 -6.8566 -6.8566 -2.8854 -2.8854 0.2067 0.2067 3.7456 3.7456 5.9064 5.9064 5.9903 5.9903 6.5866 6.5866 6.6404 6.6404 6.7695 6.7695 6.9105 6.9105 7.2510 7.2510 7.3436 7.3436 7.4688 7.4688 7.6689 7.6689 7.8003 7.8003 8.2632 8.2632 9.1292 9.1292 9.5131 9.5131 10.8800 10.8800 12.2064 12.2064 12.4612 12.4612 12.6836 12.6836 k =-0.0468 0.0789 0.0917 ( 3349 PWs) bands (ev): -25.1460 -25.1460 -7.9981 -7.9981 -6.8829 -6.8829 -6.8551 -6.8551 -2.9018 -2.9018 0.2115 0.2115 3.7334 3.7334 5.9299 5.9299 5.9948 5.9948 6.5856 6.5856 6.6512 6.6512 6.7711 6.7711 6.9060 6.9060 7.2594 7.2594 7.3416 7.3416 7.4765 7.4765 7.6924 7.6924 7.8416 7.8416 8.2205 8.2205 9.2076 9.2076 9.5378 9.5378 10.8078 10.8078 12.1686 12.1686 12.3630 12.3630 12.6328 12.6328 k =-0.0401 0.0676 0.0786 ( 3345 PWs) bands (ev): -25.1462 -25.1462 -7.9970 -7.9970 -6.8814 -6.8814 -6.8534 -6.8534 -2.9162 -2.9162 0.2156 0.2156 3.7226 3.7226 5.9507 5.9507 5.9989 5.9989 6.5827 6.5827 6.6637 6.6637 6.7712 6.7712 6.9019 6.9019 7.2678 7.2678 7.3392 7.3392 7.4831 7.4831 7.7164 7.7164 7.8807 7.8807 8.1802 8.1802 9.2861 9.2861 9.5605 9.5605 10.7360 10.7360 12.1201 12.1201 12.2750 12.2750 12.6015 12.6015 k =-0.0334 0.0564 0.0655 ( 3345 PWs) bands (ev): -25.1463 -25.1463 -7.9961 -7.9961 -6.8804 -6.8804 -6.8517 -6.8517 -2.9286 -2.9286 0.2190 0.2190 3.7134 3.7134 5.9684 5.9684 6.0024 6.0024 6.5794 6.5794 6.6765 6.6765 6.7696 6.7696 6.8981 6.8981 7.2759 7.2759 7.3364 7.3364 7.4886 7.4886 7.7408 7.7408 7.9158 7.9158 8.1428 8.1428 9.3625 9.3625 9.5813 9.5813 10.6655 10.6655 12.0675 12.0675 12.1985 12.1985 12.5842 12.5842 k =-0.0267 0.0451 0.0524 ( 3351 PWs) bands (ev): -25.1464 -25.1464 -7.9953 -7.9953 -6.8797 -6.8797 -6.8501 -6.8501 -2.9387 -2.9387 0.2218 0.2218 3.7057 3.7057 5.9830 5.9830 6.0055 6.0055 6.5763 6.5763 6.6889 6.6889 6.7663 6.7663 6.8950 6.8950 7.2834 7.2834 7.3333 7.3333 7.4930 7.4930 7.7649 7.7649 7.9451 7.9451 8.1094 8.1094 9.4336 9.4336 9.6007 9.6007 10.5981 10.5981 12.0173 12.0173 12.1345 12.1345 12.5757 12.5757 k =-0.0200 0.0338 0.0393 ( 3353 PWs) bands (ev): -25.1465 -25.1465 -7.9947 -7.9947 -6.8792 -6.8792 -6.8487 -6.8487 -2.9466 -2.9466 0.2239 0.2239 3.6996 3.6996 5.9943 5.9943 6.0081 6.0081 6.5737 6.5737 6.7007 6.7007 6.7615 6.7615 6.8926 6.8926 7.2903 7.2903 7.3298 7.3298 7.4965 7.4965 7.7880 7.7880 7.9663 7.9663 8.0819 8.0819 9.4943 9.4943 9.6201 9.6201 10.5367 10.5367 11.9741 11.9741 12.0839 12.0839 12.5721 12.5721 k =-0.0134 0.0225 0.0262 ( 3349 PWs) bands (ev): -25.1465 -25.1465 -7.9943 -7.9943 -6.8790 -6.8790 -6.8477 -6.8477 -2.9523 -2.9523 0.2254 0.2254 3.6953 3.6953 6.0020 6.0020 6.0105 6.0105 6.5717 6.5717 6.7116 6.7116 6.7556 6.7556 6.8910 6.8910 7.2964 7.2964 7.3264 7.3264 7.4989 7.4989 7.8086 7.8086 7.9767 7.9767 8.0638 8.0638 9.5383 9.5383 9.6407 9.6407 10.4859 10.4859 11.9413 11.9413 12.0474 12.0474 12.5708 12.5708 k =-0.0067 0.0113 0.0131 ( 3341 PWs) bands (ev): -25.1465 -25.1465 -7.9940 -7.9940 -6.8788 -6.8788 -6.8470 -6.8470 -2.9558 -2.9558 0.2264 0.2264 3.6927 3.6927 6.0061 6.0061 6.0125 6.0125 6.5705 6.5705 6.7208 6.7208 6.7493 6.7493 6.8901 6.8901 7.3011 7.3011 7.3233 7.3233 7.5004 7.5004 7.8238 7.8238 7.9771 7.9771 8.0562 8.0562 9.5625 9.5625 9.6593 9.6593 10.4516 10.4516 11.9208 11.9208 12.0253 12.0253 12.5705 12.5705 k = 0.0000 0.0000 0.0000 ( 3341 PWs) bands (ev): -25.1466 -25.1466 -7.9939 -7.9939 -6.8788 -6.8788 -6.8468 -6.8468 -2.9569 -2.9569 0.2267 0.2267 3.6918 3.6918 6.0072 6.0072 6.0134 6.0134 6.5700 6.5700 6.7251 6.7251 6.7460 6.7460 6.8898 6.8898 7.3030 7.3030 7.3219 7.3219 7.5009 7.5009 7.8296 7.8296 7.9755 7.9755 8.0547 8.0547 9.5697 9.5697 9.6671 9.6671 10.4393 10.4393 11.9139 11.9139 12.0180 12.0180 12.5705 12.5705 k = 0.0000 0.0000 0.0000 ( 3341 PWs) bands (ev): -25.1466 -25.1466 -7.9939 -7.9939 -6.8788 -6.8788 -6.8468 -6.8468 -2.9569 -2.9569 0.2267 0.2267 3.6918 3.6918 6.0072 6.0072 6.0134 6.0134 6.5700 6.5700 6.7251 6.7251 6.7460 6.7460 6.8898 6.8898 7.3030 7.3030 7.3219 7.3219 7.5009 7.5009 7.8296 7.8296 7.9755 7.9755 8.0547 8.0547 9.5697 9.5697 9.6671 9.6671 10.4393 10.4393 11.9139 11.9139 12.0180 12.0180 12.5705 12.5705 k = 0.0161 0.0096 0.0000 ( 3349 PWs) bands (ev): -25.1466 -25.1466 -7.9940 -7.9940 -6.8789 -6.8789 -6.8468 -6.8468 -2.9557 -2.9557 0.2227 0.2227 3.6969 3.6969 6.0074 6.0074 6.0136 6.0136 6.5701 6.5701 6.7240 6.7240 6.7455 6.7455 6.8889 6.8889 7.3022 7.3022 7.3230 7.3230 7.5009 7.5009 7.8296 7.8296 7.9747 7.9747 8.0540 8.0540 9.5733 9.5733 9.6707 9.6707 10.4376 10.4376 11.9191 11.9191 12.0041 12.0041 12.5853 12.5853 k = 0.0323 0.0191 0.0000 ( 3357 PWs) bands (ev): -25.1466 -25.1466 -7.9941 -7.9941 -6.8792 -6.8792 -6.8468 -6.8468 -2.9521 -2.9521 0.2110 0.2110 3.7121 3.7121 6.0080 6.0080 6.0141 6.0141 6.5701 6.5701 6.7209 6.7209 6.7439 6.7439 6.8863 6.8863 7.3004 7.3004 7.3263 7.3263 7.5008 7.5008 7.8296 7.8296 7.9723 7.9723 8.0521 8.0521 9.5841 9.5841 9.6814 9.6814 10.4328 10.4328 11.9345 11.9345 11.9664 11.9664 12.6258 12.6258 k = 0.0484 0.0287 0.0000 ( 3345 PWs) bands (ev): -25.1465 -25.1465 -7.9942 -7.9942 -6.8797 -6.8797 -6.8468 -6.8468 -2.9461 -2.9461 0.1918 0.1918 3.7372 3.7372 6.0092 6.0092 6.0153 6.0153 6.5702 6.5702 6.7159 6.7159 6.7411 6.7411 6.8820 6.8820 7.2975 7.2975 7.3317 7.3317 7.5008 7.5008 7.8296 7.8296 7.9685 7.9685 8.0488 8.0488 9.6019 9.6019 9.6992 9.6992 10.4249 10.4249 11.9127 11.9127 11.9600 11.9600 12.6840 12.6840 k = 0.0645 0.0382 0.0000 ( 3353 PWs) bands (ev): -25.1465 -25.1465 -7.9945 -7.9945 -6.8803 -6.8803 -6.8469 -6.8469 -2.9378 -2.9378 0.1654 0.1654 3.7715 3.7715 6.0108 6.0108 6.0167 6.0167 6.5702 6.5702 6.7093 6.7093 6.7369 6.7369 6.8760 6.8760 7.2934 7.2934 7.3394 7.3394 7.5006 7.5006 7.8295 7.8295 7.9633 7.9633 8.0445 8.0445 9.6265 9.6265 9.7237 9.7237 10.4143 10.4143 11.8500 11.8500 11.9951 11.9951 12.7527 12.7527 k = 0.0806 0.0478 0.0000 ( 3357 PWs) bands (ev): -25.1465 -25.1465 -7.9948 -7.9948 -6.8812 -6.8812 -6.8469 -6.8469 -2.9271 -2.9271 0.1324 0.1324 3.8144 3.8144 6.0129 6.0129 6.0186 6.0186 6.5703 6.5703 6.7013 6.7013 6.7314 6.7314 6.8685 6.8685 7.2881 7.2881 7.3494 7.3494 7.5005 7.5005 7.8294 7.8294 7.9570 7.9570 8.0394 8.0394 9.6576 9.6576 9.7546 9.7546 10.4015 10.4015 11.7826 11.7826 12.0393 12.0393 12.8275 12.8275 k = 0.0968 0.0573 0.0000 ( 3349 PWs) bands (ev): -25.1465 -25.1465 -7.9951 -7.9951 -6.8822 -6.8822 -6.8469 -6.8469 -2.9141 -2.9141 0.0934 0.0934 3.8651 3.8651 6.0154 6.0154 6.0209 6.0209 6.5704 6.5704 6.6920 6.6920 6.7246 6.7246 6.8594 6.8594 7.2819 7.2819 7.3620 7.3620 7.5004 7.5004 7.8294 7.8294 7.9500 7.9500 8.0337 8.0337 9.6948 9.6948 9.7916 9.7916 10.3870 10.3870 11.7133 11.7133 12.0921 12.0921 12.9052 12.9052 k = 0.1129 0.0669 0.0000 ( 3333 PWs) bands (ev): -25.1465 -25.1465 -7.9955 -7.9955 -6.8834 -6.8834 -6.8470 -6.8470 -2.8989 -2.8989 0.0491 0.0491 3.9228 3.9228 6.0184 6.0184 6.0237 6.0237 6.5706 6.5706 6.6819 6.6819 6.7166 6.7166 6.8490 6.8490 7.2747 7.2747 7.3773 7.3773 7.5003 7.5003 7.8293 7.8293 7.9425 7.9425 8.0276 8.0276 9.7376 9.7376 9.8344 9.8344 10.3712 10.3712 11.6437 11.6437 12.1530 12.1530 12.9840 12.9840 k = 0.1290 0.0764 0.0000 ( 3333 PWs) bands (ev): -25.1465 -25.1465 -7.9960 -7.9960 -6.8847 -6.8847 -6.8470 -6.8470 -2.8814 -2.8814 0.0001 0.0001 3.9863 3.9863 6.0218 6.0218 6.0268 6.0268 6.5706 6.5706 6.6709 6.6709 6.7071 6.7071 6.8371 6.8371 7.2666 7.2666 7.3952 7.3952 7.5001 7.5001 7.8293 7.8293 7.9347 7.9347 8.0212 8.0212 9.7858 9.7858 9.8824 9.8824 10.3545 10.3545 11.5748 11.5748 12.2214 12.2214 13.0624 13.0624 k = 0.1452 0.0860 0.0000 ( 3341 PWs) bands (ev): -25.1465 -25.1465 -7.9965 -7.9965 -6.8861 -6.8861 -6.8471 -6.8471 -2.8619 -2.8619 -0.0530 -0.0530 4.0547 4.0547 6.0257 6.0257 6.0304 6.0304 6.5705 6.5705 6.6594 6.6594 6.6964 6.6964 6.8239 6.8239 7.2578 7.2578 7.4163 7.4163 7.4998 7.4998 7.8293 7.8293 7.9268 7.9268 8.0147 8.0147 9.8387 9.8387 9.9352 9.9352 10.3374 10.3374 11.5072 11.5072 12.2968 12.2968 13.1391 13.1391 k = 0.1613 0.0955 0.0000 ( 3337 PWs) bands (ev): -25.1465 -25.1465 -7.9970 -7.9970 -6.8877 -6.8877 -6.8471 -6.8471 -2.8403 -2.8403 -0.1093 -0.1093 4.1269 4.1269 6.0302 6.0302 6.0344 6.0344 6.5704 6.5704 6.6475 6.6475 6.6847 6.6847 6.8096 6.8096 7.2482 7.2482 7.4406 7.4406 7.4995 7.4995 7.8294 7.8294 7.9191 7.9191 8.0085 8.0085 9.8959 9.8959 9.9922 9.9922 10.3203 10.3203 11.4414 11.4414 12.3788 12.3788 13.2131 13.2131 k = 0.1774 0.1051 0.0000 ( 3325 PWs) bands (ev): -25.1465 -25.1465 -7.9976 -7.9976 -6.8893 -6.8893 -6.8472 -6.8472 -2.8168 -2.8168 -0.1684 -0.1684 4.2018 4.2018 6.0352 6.0352 6.0390 6.0390 6.5702 6.5702 6.6354 6.6354 6.6723 6.6723 6.7944 6.7944 7.2382 7.2382 7.4685 7.4685 7.4994 7.4994 7.8296 7.8296 7.9119 7.9119 8.0027 8.0027 9.9571 9.9571 10.0529 10.0529 10.3037 10.3037 11.3777 11.3777 12.4669 12.4669 13.2829 13.2829 k = 0.1935 0.1147 0.0000 ( 3317 PWs) bands (ev): -25.1464 -25.1464 -7.9982 -7.9982 -6.8910 -6.8910 -6.8473 -6.8473 -2.7914 -2.7914 -0.2296 -0.2296 4.2784 4.2784 6.0406 6.0406 6.0438 6.0438 6.5699 6.5699 6.6230 6.6230 6.6596 6.6596 6.7785 6.7785 7.2277 7.2277 7.4991 7.4991 7.5002 7.5002 7.8297 7.8297 7.9053 7.9053 7.9973 7.9973 10.0217 10.0217 10.1162 10.1162 10.2885 10.2885 11.3160 11.3160 12.5606 12.5606 13.3450 13.3450 k = 0.2097 0.1242 0.0000 ( 3317 PWs) bands (ev): -25.1464 -25.1464 -7.9988 -7.9988 -6.8928 -6.8928 -6.8473 -6.8473 -2.7643 -2.7643 -0.2924 -0.2924 4.3555 4.3555 6.0465 6.0465 6.0490 6.0490 6.5693 6.5693 6.6102 6.6102 6.6468 6.6468 6.7620 6.7620 7.2170 7.2170 7.4989 7.4989 7.5362 7.5362 7.8300 7.8300 7.8994 7.8994 7.9924 7.9924 10.0893 10.0893 10.1789 10.1789 10.2773 10.2773 11.2564 11.2564 12.6598 12.6598 13.3853 13.3853 k = 0.2258 0.1338 0.0000 ( 3317 PWs) bands (ev): -25.1464 -25.1464 -7.9995 -7.9995 -6.8946 -6.8946 -6.8474 -6.8474 -2.7355 -2.7355 -0.3562 -0.3562 4.4321 4.4321 6.0528 6.0528 6.0547 6.0547 6.5685 6.5685 6.5968 6.5968 6.6347 6.6347 6.7450 6.7450 7.2060 7.2060 7.4986 7.4986 7.5765 7.5765 7.8305 7.8305 7.8945 7.8945 7.9880 7.9880 10.1593 10.1593 10.2230 10.2230 10.2882 10.2882 11.1988 11.1988 12.7641 12.7641 13.3337 13.3337 k = 0.2419 0.1433 0.0000 ( 3325 PWs) bands (ev): -25.1464 -25.1464 -8.0002 -8.0002 -6.8964 -6.8964 -6.8475 -6.8475 -2.7053 -2.7053 -0.4207 -0.4207 4.5073 4.5073 6.0597 6.0597 6.0608 6.0608 6.5670 6.5670 6.5824 6.5824 6.6239 6.6239 6.7280 6.7280 7.1949 7.1949 7.4983 7.4983 7.6213 7.6213 7.8313 7.8313 7.8910 7.8910 7.9843 7.9843 10.2247 10.2247 10.2314 10.2314 10.3444 10.3444 11.1430 11.1430 12.8732 12.8732 13.1665 13.1665 k = 0.2581 0.1529 0.0000 ( 3325 PWs) bands (ev): -25.1464 -25.1464 -8.0008 -8.0008 -6.8983 -6.8983 -6.8475 -6.8475 -2.6738 -2.6738 -0.4853 -0.4853 4.5800 4.5800 6.0668 6.0668 6.0676 6.0676 6.5652 6.5652 6.5669 6.5669 6.6151 6.6151 6.7110 6.7110 7.1838 7.1838 7.4981 7.4981 7.6701 7.6701 7.8328 7.8328 7.8896 7.8896 7.9810 7.9810 10.2142 10.2142 10.3050 10.3050 10.4155 10.4155 11.0888 11.0888 12.9695 12.9695 12.9869 12.9869 k = 0.2742 0.1624 0.0000 ( 3321 PWs) bands (ev): -25.1464 -25.1464 -8.0015 -8.0015 -6.9001 -6.9001 -6.8476 -6.8476 -2.6412 -2.6412 -0.5497 -0.5497 4.6493 4.6493 6.0737 6.0737 6.0753 6.0753 6.5502 6.5502 6.5628 6.5628 6.6083 6.6083 6.6947 6.6947 7.1729 7.1729 7.4979 7.4979 7.7207 7.7207 7.8354 7.8354 7.8926 7.8926 7.9784 7.9784 10.2022 10.2022 10.3796 10.3796 10.4901 10.4901 11.0356 11.0356 12.7670 12.7670 13.1048 13.1048 k = 0.2903 0.1720 0.0000 ( 3325 PWs) bands (ev): -25.1463 -25.1463 -8.0021 -8.0021 -6.9018 -6.9018 -6.8477 -6.8477 -2.6077 -2.6077 -0.6134 -0.6134 4.7145 4.7145 6.0808 6.0808 6.0837 6.0837 6.5326 6.5326 6.5594 6.5594 6.6035 6.6035 6.6792 6.6792 7.1624 7.1624 7.4977 7.4977 7.7665 7.7665 7.8398 7.8398 7.9059 7.9059 7.9762 7.9762 10.1903 10.1903 10.4544 10.4544 10.5662 10.5662 10.9827 10.9827 12.5649 12.5649 13.2268 13.2268 k = 0.3065 0.1815 0.0000 ( 3333 PWs) bands (ev): -25.1463 -25.1463 -8.0028 -8.0028 -6.9036 -6.9036 -6.8478 -6.8478 -2.5735 -2.5735 -0.6759 -0.6759 4.7749 4.7749 6.0880 6.0880 6.0925 6.0925 6.5144 6.5144 6.5549 6.5549 6.6006 6.6006 6.6651 6.6651 7.1520 7.1520 7.4975 7.4975 7.7961 7.7961 7.8455 7.8455 7.9423 7.9423 7.9746 7.9746 10.1790 10.1790 10.5288 10.5288 10.6427 10.6427 10.9294 10.9294 12.3664 12.3664 13.3527 13.3527 k = 0.3226 0.1911 0.0000 ( 3341 PWs) bands (ev): -25.1463 -25.1463 -8.0034 -8.0034 -6.9052 -6.9052 -6.8478 -6.8478 -2.5389 -2.5389 -0.7370 -0.7370 4.8302 4.8302 6.0954 6.0954 6.1018 6.1018 6.4958 6.4958 6.5489 6.5489 6.5993 6.5993 6.6527 6.6527 7.1419 7.1419 7.4973 7.4973 7.8089 7.8089 7.8493 7.8493 7.9734 7.9734 8.0055 8.0055 10.1685 10.1685 10.6016 10.6016 10.7187 10.7187 10.8747 10.8747 12.1742 12.1742 13.4822 13.4822 k = 0.3387 0.2007 0.0000 ( 3341 PWs) bands (ev): -25.1463 -25.1463 -8.0040 -8.0040 -6.9068 -6.9068 -6.8479 -6.8479 -2.5043 -2.5043 -0.7960 -0.7960 4.8799 4.8799 6.1030 6.1030 6.1116 6.1116 6.4770 6.4770 6.5414 6.5414 6.5993 6.5993 6.6423 6.6423 7.1326 7.1326 7.4972 7.4972 7.8142 7.8142 7.8510 7.8510 7.9725 7.9725 8.0866 8.0866 10.1589 10.1589 10.6699 10.6699 10.7934 10.7934 10.8187 10.8187 11.9912 11.9912 13.6151 13.6151 k = 0.3548 0.2102 0.0000 ( 3341 PWs) bands (ev): -25.1463 -25.1463 -8.0045 -8.0045 -6.9082 -6.9082 -6.8480 -6.8480 -2.4701 -2.4701 -0.8526 -0.8526 4.9239 4.9239 6.1107 6.1107 6.1218 6.1218 6.4583 6.4583 6.5324 6.5324 6.6005 6.6005 6.6340 6.6340 7.1239 7.1239 7.4971 7.4971 7.8168 7.8168 7.8515 7.8515 7.9720 7.9720 8.1797 8.1797 10.1502 10.1502 10.7092 10.7092 10.7826 10.7826 10.8661 10.8661 11.8209 11.8209 13.7511 13.7511 k = 0.3710 0.2198 0.0000 ( 3349 PWs) bands (ev): -25.1463 -25.1463 -8.0050 -8.0050 -6.9096 -6.9096 -6.8480 -6.8480 -2.4366 -2.4366 -0.9062 -0.9062 4.9622 4.9622 6.1183 6.1183 6.1324 6.1324 6.4398 6.4398 6.5223 6.5223 6.6026 6.6026 6.6276 6.6276 7.1158 7.1158 7.4970 7.4970 7.8181 7.8181 7.8516 7.8516 7.9717 7.9717 8.2821 8.2821 10.1425 10.1425 10.6568 10.6568 10.8254 10.8254 10.9356 10.9356 11.6670 11.6670 13.8897 13.8897 k = 0.3871 0.2293 0.0000 ( 3349 PWs) bands (ev): -25.1463 -25.1463 -8.0055 -8.0055 -6.9108 -6.9108 -6.8481 -6.8481 -2.4045 -2.4045 -0.9562 -0.9562 4.9950 4.9950 6.1257 6.1257 6.1431 6.1431 6.4218 6.4218 6.5117 6.5117 6.6051 6.6051 6.6229 6.6229 7.1085 7.1085 7.4969 7.4969 7.8189 7.8189 7.8515 7.8515 7.9716 7.9716 8.3922 8.3922 10.1356 10.1356 10.5715 10.5715 10.8843 10.8843 11.0009 11.0009 11.5333 11.5333 13.9470 13.9470 k = 0.4032 0.2389 0.0000 ( 3349 PWs) bands (ev): -25.1462 -25.1462 -8.0059 -8.0059 -6.9119 -6.9119 -6.8481 -6.8481 -2.3744 -2.3744 -1.0019 -1.0019 5.0226 5.0226 6.1328 6.1328 6.1540 6.1540 6.4045 6.4045 6.5011 6.5011 6.6080 6.6080 6.6195 6.6195 7.1021 7.1021 7.4968 7.4968 7.8195 7.8195 7.8514 7.8514 7.9716 7.9716 8.5086 8.5086 10.1297 10.1297 10.4700 10.4700 10.9403 10.9403 11.0611 11.0611 11.4226 11.4226 13.9702 13.9702 k = 0.4194 0.2484 0.0000 ( 3340 PWs) bands (ev): -25.1462 -25.1462 -8.0062 -8.0062 -6.9128 -6.9128 -6.8481 -6.8481 -2.3469 -2.3469 -1.0426 -1.0426 5.0452 5.0452 6.1393 6.1393 6.1648 6.1648 6.3883 6.3883 6.4910 6.4910 6.6109 6.6109 6.6170 6.6170 7.0966 7.0966 7.4969 7.4969 7.8199 7.8199 7.8513 7.8513 7.9717 7.9717 8.6294 8.6294 10.1247 10.1247 10.3554 10.3554 10.9906 10.9906 11.1148 11.1148 11.3354 11.3354 13.9899 13.9899 k = 0.4355 0.2580 0.0000 ( 3360 PWs) bands (ev): -25.1462 -25.1462 -8.0065 -8.0065 -6.9136 -6.9136 -6.8482 -6.8482 -2.3229 -2.3229 -1.0775 -1.0775 5.0631 5.0631 6.1449 6.1449 6.1749 6.1749 6.3734 6.3734 6.4820 6.4820 6.6136 6.6136 6.6153 6.6153 7.0917 7.0917 7.4968 7.4968 7.8201 7.8201 7.8512 7.8512 7.9718 7.9718 8.7517 8.7517 10.1206 10.1206 10.2325 10.2325 11.0332 11.0332 11.1609 11.1609 11.2702 11.2702 14.0060 14.0060 k = 0.4516 0.2675 0.0000 ( 3356 PWs) bands (ev): -25.1462 -25.1462 -8.0068 -8.0068 -6.9142 -6.9142 -6.8482 -6.8482 -2.3031 -2.3031 -1.1058 -1.1058 5.0767 5.0767 6.1497 6.1497 6.1842 6.1842 6.3604 6.3604 6.4745 6.4745 6.6141 6.6141 6.6159 6.6159 7.0881 7.0881 7.4968 7.4968 7.8202 7.8202 7.8512 7.8512 7.9720 7.9720 8.8708 8.8708 10.1089 10.1089 10.1175 10.1175 11.0670 11.0670 11.1982 11.1982 11.2244 11.2244 14.0186 14.0186 k = 0.4677 0.2771 0.0000 ( 3348 PWs) bands (ev): -25.1462 -25.1462 -8.0069 -8.0069 -6.9146 -6.9146 -6.8482 -6.8482 -2.2883 -2.2883 -1.1267 -1.1267 5.0862 5.0862 6.1534 6.1534 6.1918 6.1918 6.3502 6.3502 6.4689 6.4689 6.6133 6.6133 6.6177 6.6177 7.0855 7.0855 7.4968 7.4968 7.8203 7.8203 7.8512 7.8512 7.9722 7.9722 8.9781 8.9781 9.9962 9.9962 10.1152 10.1152 11.0904 11.0904 11.1953 11.1953 11.2257 11.2257 14.0276 14.0276 k = 0.4839 0.2866 0.0000 ( 3348 PWs) bands (ev): -25.1462 -25.1462 -8.0070 -8.0070 -6.9149 -6.9149 -6.8482 -6.8482 -2.2791 -2.2791 -1.1395 -1.1395 5.0918 5.0918 6.1556 6.1556 6.1970 6.1970 6.3434 6.3434 6.4654 6.4654 6.6129 6.6129 6.6188 6.6188 7.0840 7.0840 7.4968 7.4968 7.8204 7.8204 7.8512 7.8512 7.9723 7.9723 9.0582 9.0582 9.9119 9.9119 10.1139 10.1139 11.1031 11.1031 11.1806 11.1806 11.2426 11.2426 14.0330 14.0330 k = 0.5000 0.2962 0.0000 ( 3332 PWs) bands (ev): -25.1462 -25.1462 -8.0071 -8.0071 -6.9149 -6.9149 -6.8482 -6.8482 -2.2759 -2.2759 -1.1438 -1.1438 5.0938 5.0938 6.1565 6.1565 6.1989 6.1989 6.3411 6.3411 6.4642 6.4642 6.6128 6.6128 6.6192 6.6192 7.0835 7.0835 7.4968 7.4968 7.8206 7.8206 7.8512 7.8512 7.9723 7.9723 9.0892 9.0892 9.8795 9.8795 10.1134 10.1134 11.1067 11.1067 11.1765 11.1765 11.2483 11.2483 14.0348 14.0348 k = 0.5000 0.2962 0.0000 ( 3332 PWs) bands (ev): -25.1462 -25.1462 -8.0071 -8.0071 -6.9149 -6.9149 -6.8482 -6.8482 -2.2759 -2.2759 -1.1438 -1.1438 5.0938 5.0938 6.1565 6.1565 6.1989 6.1989 6.3411 6.3411 6.4642 6.4642 6.6128 6.6128 6.6192 6.6192 7.0835 7.0835 7.4968 7.4968 7.8206 7.8206 7.8512 7.8512 7.9723 7.9723 9.0892 9.0892 9.8795 9.8795 10.1134 10.1134 11.1067 11.1067 11.1765 11.1765 11.2483 11.2483 14.0348 14.0348 k = 0.4934 0.3074 0.0130 ( 3344 PWs) bands (ev): -25.1462 -25.1462 -8.0071 -8.0071 -6.9150 -6.9150 -6.8484 -6.8484 -2.2752 -2.2752 -1.1431 -1.1431 5.0936 5.0936 6.1561 6.1561 6.1985 6.1985 6.3390 6.3390 6.4621 6.4621 6.6127 6.6127 6.6198 6.6198 7.0843 7.0843 7.4963 7.4963 7.8114 7.8114 7.8558 7.8558 7.9723 7.9723 9.0891 9.0891 9.8766 9.8766 10.1195 10.1195 11.1077 11.1077 11.1813 11.1813 11.2478 11.2478 14.0086 14.0087 k = 0.4867 0.3187 0.0261 ( 3352 PWs) bands (ev): -25.1462 -25.1462 -8.0073 -8.0073 -6.9150 -6.9150 -6.8491 -6.8491 -2.2731 -2.2731 -1.1411 -1.1411 5.0934 5.0934 6.1552 6.1552 6.1976 6.1976 6.3325 6.3325 6.4557 6.4557 6.6124 6.6124 6.6218 6.6218 7.0869 7.0869 7.4947 7.4947 7.7934 7.7934 7.8589 7.8589 7.9741 7.9741 9.0887 9.0887 9.8678 9.8678 10.1373 10.1373 11.1096 11.1096 11.1968 11.1968 11.2462 11.2462 13.9392 13.9392 k = 0.4801 0.3299 0.0391 ( 3352 PWs) bands (ev): -25.1461 -25.1461 -8.0077 -8.0077 -6.9150 -6.9150 -6.8501 -6.8501 -2.2696 -2.2696 -1.1378 -1.1378 5.0931 5.0931 6.1536 6.1536 6.1964 6.1964 6.3212 6.3212 6.4457 6.4457 6.6124 6.6124 6.6253 6.6253 7.0910 7.0910 7.4921 7.4921 7.7726 7.7726 7.8513 7.8513 7.9817 7.9817 9.0881 9.0881 9.8533 9.8533 10.1657 10.1657 11.1110 11.1110 11.2247 11.2247 11.2439 11.2439 13.8429 13.8429 k = 0.4734 0.3411 0.0522 ( 3352 PWs) bands (ev): -25.1461 -25.1461 -8.0081 -8.0081 -6.9152 -6.9152 -6.8514 -6.8514 -2.2648 -2.2648 -1.1331 -1.1331 5.0924 5.0924 6.1509 6.1509 6.1950 6.1950 6.3043 6.3043 6.4329 6.4329 6.6130 6.6130 6.6300 6.6300 7.0963 7.0963 7.4886 7.4886 7.7505 7.7505 7.8322 7.8322 7.9959 7.9959 9.0871 9.0871 9.8330 9.8330 10.2028 10.2028 11.1113 11.1113 11.2411 11.2411 11.2660 11.2660 13.7322 13.7322 k = 0.4668 0.3523 0.0652 ( 3342 PWs) bands (ev): -25.1460 -25.1460 -8.0087 -8.0087 -6.9153 -6.9153 -6.8531 -6.8531 -2.2586 -2.2586 -1.1270 -1.1270 5.0912 5.0912 6.1471 6.1471 6.1939 6.1939 6.2815 6.2815 6.4182 6.4182 6.6143 6.6143 6.6361 6.6361 7.1025 7.1025 7.4840 7.4840 7.7274 7.7274 7.8049 7.8049 8.0149 8.0149 9.0855 9.0855 9.8070 9.8070 10.2467 10.2467 11.1108 11.1108 11.2380 11.2380 11.3209 11.3209 13.6145 13.6145 k = 0.4601 0.3635 0.0783 ( 3338 PWs) bands (ev): -25.1458 -25.1458 -8.0094 -8.0094 -6.9157 -6.9157 -6.8550 -6.8550 -2.2512 -2.2512 -1.1196 -1.1196 5.0893 5.0893 6.1419 6.1419 6.1928 6.1928 6.2526 6.2526 6.4026 6.4026 6.6163 6.6163 6.6433 6.6433 7.1092 7.1092 7.4783 7.4783 7.7031 7.7031 7.7734 7.7734 8.0365 8.0365 9.0831 9.0831 9.7755 9.7755 10.2952 10.2952 11.1101 11.1101 11.2350 11.2350 11.3890 11.3890 13.4943 13.4943 k = 0.4535 0.3748 0.0913 ( 3338 PWs) bands (ev): -25.1457 -25.1457 -8.0103 -8.0103 -6.9161 -6.9161 -6.8571 -6.8571 -2.2425 -2.2425 -1.1110 -1.1110 5.0864 5.0864 6.1352 6.1352 6.1894 6.1894 6.2206 6.2206 6.3867 6.3867 6.6192 6.6192 6.6515 6.6515 7.1162 7.1162 7.4715 7.4715 7.6770 7.6770 7.7409 7.7409 8.0596 8.0596 9.0799 9.0799 9.7385 9.7385 10.3468 10.3468 11.1096 11.1096 11.2322 11.2322 11.4700 11.4700 13.3744 13.3744 k = 0.4468 0.3860 0.1044 ( 3338 PWs) bands (ev): -25.1456 -25.1456 -8.0113 -8.0113 -6.9168 -6.9168 -6.8593 -6.8593 -2.2328 -2.2328 -1.1010 -1.1010 5.0820 5.0820 6.1272 6.1272 6.1666 6.1666 6.2035 6.2035 6.3706 6.3706 6.6231 6.6231 6.6605 6.6605 7.1230 7.1230 7.4634 7.4634 7.6484 7.6484 7.7103 7.7103 8.0836 8.0836 9.0756 9.0756 9.6964 9.6964 10.4002 10.4002 11.1097 11.1097 11.2298 11.2298 11.5630 11.5630 13.2566 13.2566 k = 0.4402 0.3972 0.1174 ( 3338 PWs) bands (ev): -25.1454 -25.1454 -8.0124 -8.0124 -6.9178 -6.9178 -6.8615 -6.8615 -2.2220 -2.2220 -1.0897 -1.0897 5.0757 5.0757 6.1154 6.1154 6.1270 6.1270 6.2025 6.2025 6.3544 6.3544 6.6277 6.6277 6.6702 6.6702 7.1296 7.1296 7.4541 7.4541 7.6174 7.6174 7.6828 7.6828 8.1079 8.1079 9.0700 9.0700 9.6495 9.6495 10.4544 10.4544 11.1108 11.1108 11.2281 11.2281 11.6672 11.6672 13.1422 13.1422 k = 0.4335 0.4084 0.1305 ( 3340 PWs) bands (ev): -25.1452 -25.1452 -8.0136 -8.0136 -6.9192 -6.9192 -6.8636 -6.8636 -2.2103 -2.2103 -1.0772 -1.0772 5.0670 5.0670 6.0745 6.0745 6.1106 6.1106 6.2044 6.2044 6.3379 6.3379 6.6332 6.6332 6.6805 6.6805 7.1355 7.1355 7.4435 7.4435 7.5854 7.5854 7.6583 7.6583 8.1323 8.1323 9.0629 9.0629 9.5984 9.5984 10.5091 10.5091 11.1129 11.1129 11.2273 11.2273 11.7812 11.7812 13.0325 13.0325 k = 0.4269 0.4197 0.1435 ( 3334 PWs) bands (ev): -25.1450 -25.1450 -8.0149 -8.0149 -6.9210 -6.9210 -6.8655 -6.8655 -2.1977 -2.1977 -1.0633 -1.0633 5.0551 5.0551 6.0256 6.0256 6.1000 6.1000 6.2074 6.2074 6.3210 6.3210 6.6396 6.6396 6.6912 6.6912 7.1408 7.1408 7.4314 7.4314 7.5541 7.5541 7.6360 7.6360 8.1566 8.1566 9.0542 9.0542 9.5433 9.5433 10.5642 10.5642 11.1157 11.1157 11.2278 11.2278 11.9036 11.9036 12.9283 12.9283 k = 0.4202 0.4309 0.1566 ( 3338 PWs) bands (ev): -25.1448 -25.1448 -8.0164 -8.0164 -6.9233 -6.9233 -6.8670 -6.8670 -2.1844 -2.1844 -1.0483 -1.0483 5.0395 5.0395 5.9765 5.9765 6.0892 6.0892 6.2110 6.2110 6.3036 6.3036 6.6466 6.6466 6.7022 6.7022 7.1451 7.1451 7.4176 7.4176 7.5247 7.5247 7.6151 7.6151 8.1807 8.1807 9.0436 9.0436 9.4850 9.4850 10.6196 10.6196 11.1186 11.1186 11.2302 11.2302 12.0327 12.0327 12.8307 12.8307 k = 0.4136 0.4421 0.1696 ( 3338 PWs) bands (ev): -25.1446 -25.1446 -8.0179 -8.0179 -6.9260 -6.9260 -6.8683 -6.8683 -2.1706 -2.1706 -1.0320 -1.0320 5.0194 5.0194 5.9291 5.9291 6.0782 6.0782 6.2151 6.2151 6.2859 6.2859 6.6543 6.6543 6.7134 6.7134 7.1484 7.1484 7.4021 7.4021 7.4981 7.4981 7.5953 7.5953 8.2044 8.2044 9.0309 9.0309 9.4239 9.4239 10.6757 10.6757 11.1206 11.1206 11.2355 11.2355 12.1665 12.1665 12.7407 12.7407 k = 0.4069 0.4533 0.1826 ( 3338 PWs) bands (ev): -25.1444 -25.1444 -8.0195 -8.0195 -6.9293 -6.9293 -6.8691 -6.8691 -2.1563 -2.1563 -1.0145 -1.0145 4.9942 4.9942 5.8849 5.8849 6.0670 6.0670 6.2197 6.2197 6.2678 6.2678 6.6627 6.6627 6.7246 6.7246 7.1505 7.1505 7.3850 7.3850 7.4745 7.4745 7.5760 7.5760 8.2276 8.2276 9.0161 9.0161 9.3606 9.3606 10.7325 10.7325 11.1206 11.1206 11.2447 11.2447 12.3014 12.3014 12.6614 12.6614 k = 0.4003 0.4646 0.1957 ( 3336 PWs) bands (ev): -25.1441 -25.1441 -8.0213 -8.0213 -6.9330 -6.9330 -6.8695 -6.8695 -2.1417 -2.1417 -0.9959 -0.9959 4.9635 4.9635 5.8451 5.8451 6.0558 6.0558 6.2244 6.2244 6.2496 6.2496 6.6718 6.6718 6.7358 6.7358 7.1513 7.1513 7.3669 7.3669 7.4537 7.4537 7.5573 7.5573 8.2503 8.2503 8.9989 8.9989 9.2957 9.2957 10.7902 10.7902 11.1177 11.1177 11.2584 11.2584 12.4228 12.4228 12.6061 12.6061 k = 0.3936 0.4758 0.2087 ( 3340 PWs) bands (ev): -25.1439 -25.1439 -8.0230 -8.0230 -6.9372 -6.9372 -6.8696 -6.8696 -2.1269 -2.1269 -0.9761 -0.9761 4.9272 4.9272 5.8103 5.8103 6.0445 6.0445 6.2267 6.2267 6.2340 6.2340 6.6815 6.6815 6.7469 6.7469 7.1509 7.1509 7.3483 7.3483 7.4353 7.4353 7.5388 7.5388 8.2724 8.2724 8.9792 8.9792 9.2298 9.2298 10.8489 10.8489 11.1115 11.1115 11.2769 11.2769 12.4575 12.4575 12.6473 12.6473 k = 0.3870 0.4870 0.2218 ( 3338 PWs) bands (ev): -25.1437 -25.1437 -8.0249 -8.0249 -6.9416 -6.9416 -6.8694 -6.8694 -2.1121 -2.1121 -0.9552 -0.9552 4.8853 4.8853 5.7810 5.7810 6.0333 6.0333 6.2109 6.2109 6.2367 6.2367 6.6917 6.6917 6.7578 6.7578 7.1492 7.1492 7.3297 7.3297 7.4187 7.4187 7.5205 7.5205 8.2939 8.2939 8.9571 8.9571 9.1633 9.1633 10.9087 10.9087 11.1020 11.1020 11.3000 11.3000 12.4154 12.4154 12.7738 12.7738 k = 0.3803 0.4982 0.2348 ( 3330 PWs) bands (ev): -25.1434 -25.1434 -8.0268 -8.0268 -6.9463 -6.9463 -6.8689 -6.8689 -2.0974 -2.0974 -0.9332 -0.9332 4.8386 4.8386 5.7571 5.7571 6.0222 6.0222 6.1922 6.1922 6.2426 6.2426 6.7024 6.7024 6.7684 6.7684 7.1462 7.1462 7.3118 7.3118 7.4034 7.4034 7.5025 7.5025 8.3148 8.3148 8.9323 8.9323 9.0967 9.0967 10.9690 10.9690 11.0899 11.0899 11.3273 11.3273 12.3666 12.3666 12.9124 12.9124 k = 0.3737 0.5095 0.2479 ( 3334 PWs) bands (ev): -25.1431 -25.1431 -8.0288 -8.0288 -6.9511 -6.9511 -6.8682 -6.8682 -2.0831 -2.0831 -0.9102 -0.9102 4.7877 4.7877 5.7382 5.7382 6.0112 6.0112 6.1734 6.1734 6.2489 6.2489 6.7137 6.7137 6.7787 6.7787 7.1421 7.1421 7.2945 7.2945 7.3891 7.3891 7.4844 7.4844 8.3350 8.3350 8.9048 8.9048 9.0308 9.0308 11.0251 11.0251 11.0797 11.0797 11.3586 11.3586 12.3226 12.3226 12.9746 12.9746 k = 0.3670 0.5207 0.2609 ( 3334 PWs) bands (ev): -25.1429 -25.1429 -8.0308 -8.0308 -6.9560 -6.9560 -6.8672 -6.8672 -2.0692 -2.0692 -0.8862 -0.8862 4.7337 4.7337 5.7236 5.7236 6.0005 6.0005 6.1547 6.1547 6.2555 6.2555 6.7253 6.7253 6.7885 6.7885 7.1369 7.1369 7.2781 7.2781 7.3755 7.3755 7.4665 7.4665 8.3545 8.3545 8.8741 8.8741 8.9665 8.9665 11.0393 11.0393 11.1093 11.1093 11.3936 11.3936 12.2855 12.2855 12.9022 12.9022 k = 0.3604 0.5319 0.2740 ( 3335 PWs) bands (ev): -25.1426 -25.1426 -8.0328 -8.0328 -6.9609 -6.9609 -6.8662 -6.8662 -2.0560 -2.0560 -0.8612 -0.8612 4.6776 4.6776 5.7126 5.7126 5.9900 5.9900 6.1361 6.1361 6.2625 6.2625 6.7373 6.7373 6.7980 6.7980 7.1310 7.1310 7.2625 7.2625 7.3627 7.3627 7.4486 7.4486 8.3733 8.3733 8.8389 8.8389 8.9056 8.9056 11.0193 11.0193 11.1708 11.1708 11.4319 11.4319 12.2561 12.2561 12.8259 12.8259 k = 0.3537 0.5431 0.2870 ( 3335 PWs) bands (ev): -25.1424 -25.1424 -8.0348 -8.0348 -6.9658 -6.9658 -6.8650 -6.8650 -2.0436 -2.0436 -0.8354 -0.8354 4.6204 4.6204 5.7045 5.7045 5.9800 5.9800 6.1179 6.1179 6.2698 6.2698 6.7496 6.7496 6.8069 6.8069 7.1243 7.1243 7.2476 7.2476 7.3504 7.3504 7.4307 7.4307 8.3914 8.3914 8.7963 8.7963 8.8516 8.8516 10.9921 10.9921 11.2369 11.2369 11.4736 11.4736 12.2344 12.2344 12.7521 12.7521 k = 0.3471 0.5544 0.3001 ( 3331 PWs) bands (ev): -25.1422 -25.1422 -8.0367 -8.0367 -6.9706 -6.9706 -6.8638 -6.8638 -2.0321 -2.0321 -0.8086 -0.8086 4.5630 4.5630 5.6984 5.6984 5.9703 5.9703 6.1001 6.1001 6.2773 6.2773 6.7620 6.7620 6.8155 6.8155 7.1175 7.1175 7.2332 7.2332 7.3388 7.3388 7.4128 7.4128 8.4089 8.4089 8.7445 8.7445 8.8069 8.8069 10.9604 10.9604 11.3048 11.3048 11.5184 11.5184 12.2206 12.2206 12.6813 12.6813 k = 0.3404 0.5656 0.3131 ( 3337 PWs) bands (ev): -25.1419 -25.1419 -8.0387 -8.0387 -6.9752 -6.9752 -6.8625 -6.8625 -2.0218 -2.0218 -0.7811 -0.7811 4.5063 4.5063 5.6936 5.6936 5.9610 5.9610 6.0827 6.0827 6.2852 6.2852 6.7744 6.7744 6.8235 6.8235 7.1104 7.1104 7.2194 7.2194 7.3277 7.3277 7.3950 7.3950 8.4257 8.4257 8.6872 8.6872 8.7682 8.7682 10.9246 10.9246 11.3738 11.3738 11.5662 11.5662 12.2144 12.2144 12.6139 12.6139 k = 0.3338 0.5768 0.3262 ( 3329 PWs) bands (ev): -25.1417 -25.1417 -8.0406 -8.0406 -6.9797 -6.9797 -6.8612 -6.8612 -2.0128 -2.0128 -0.7528 -0.7528 4.4509 4.4509 5.6896 5.6896 5.9523 5.9523 6.0659 6.0659 6.2933 6.2933 6.7866 6.7866 6.8314 6.8314 7.1035 7.1035 7.2062 7.2062 7.3173 7.3173 7.3773 7.3773 8.4416 8.4416 8.6288 8.6288 8.7320 8.7320 10.8848 10.8848 11.4434 11.4434 11.6169 11.6169 12.2159 12.2159 12.5499 12.5499 k = 0.3271 0.5880 0.3392 ( 3329 PWs) bands (ev): -25.1415 -25.1415 -8.0424 -8.0424 -6.9839 -6.9839 -6.8598 -6.8598 -2.0052 -2.0052 -0.7238 -0.7238 4.3975 4.3975 5.6858 5.6858 5.9440 5.9440 6.0497 6.0497 6.3016 6.3016 6.7981 6.7981 6.8391 6.8391 7.0970 7.0970 7.1936 7.1936 7.3072 7.3072 7.3599 7.3599 8.4561 8.4561 8.5714 8.5714 8.6972 8.6972 10.8412 10.8412 11.5131 11.5131 11.6705 11.6705 12.2250 12.2250 12.4893 12.4893 k = 0.3205 0.5993 0.3522 ( 3325 PWs) bands (ev): -25.1413 -25.1413 -8.0441 -8.0441 -6.9878 -6.9878 -6.8585 -6.8585 -1.9992 -1.9992 -0.6942 -0.6942 4.3465 4.3465 5.6816 5.6816 5.9364 5.9364 6.0342 6.0342 6.3103 6.3103 6.8086 6.8086 6.8472 6.8472 7.0909 7.0909 7.1817 7.1817 7.2976 7.2976 7.3428 7.3428 8.4659 8.4659 8.5191 8.5191 8.6636 8.6636 10.7939 10.7939 11.5826 11.5826 11.7268 11.7268 12.2414 12.2414 12.4322 12.4322 k = 0.3138 0.6105 0.3653 ( 3329 PWs) bands (ev): -25.1411 -25.1411 -8.0457 -8.0457 -6.9915 -6.9915 -6.8572 -6.8572 -1.9949 -1.9949 -0.6640 -0.6640 4.2985 4.2985 5.6767 5.6767 5.9294 5.9294 6.0194 6.0194 6.3191 6.3191 6.8174 6.8174 6.8560 6.8560 7.0853 7.0853 7.1708 7.1708 7.2881 7.2881 7.3263 7.3263 8.4443 8.4443 8.4984 8.4984 8.6317 8.6317 10.7430 10.7430 11.6512 11.6512 11.7858 11.7858 12.2652 12.2652 12.3788 12.3788 k = 0.3072 0.6217 0.3783 ( 3329 PWs) bands (ev): -25.1409 -25.1409 -8.0472 -8.0472 -6.9948 -6.9948 -6.8560 -6.8560 -1.9925 -1.9925 -0.6334 -0.6334 4.2537 4.2537 5.6707 5.6707 5.9231 5.9231 6.0054 6.0054 6.3282 6.3282 6.8240 6.8240 6.8658 6.8658 7.0805 7.0805 7.1609 7.1609 7.2784 7.2784 7.3109 7.3109 8.3943 8.3943 8.5056 8.5056 8.6027 8.6027 10.6888 10.6888 11.7184 11.7184 11.8475 11.8475 12.2949 12.2949 12.3302 12.3302 k = 0.3005 0.6329 0.3914 ( 3321 PWs) bands (ev): -25.1408 -25.1408 -8.0486 -8.0486 -6.9978 -6.9978 -6.8548 -6.8548 -1.9920 -1.9920 -0.6023 -0.6023 4.2124 4.2124 5.6634 5.6634 5.9176 5.9176 5.9923 5.9923 6.3376 6.3376 6.8285 6.8285 6.8767 6.8767 7.0765 7.0765 7.1523 7.1523 7.2679 7.2679 7.2974 7.2974 8.3420 8.3420 8.5118 8.5118 8.5799 8.5799 10.6314 10.6314 11.7836 11.7836 11.9117 11.9117 12.2796 12.2796 12.3374 12.3374 k = 0.2939 0.6442 0.4044 ( 3321 PWs) bands (ev): -25.1407 -25.1407 -8.0498 -8.0498 -7.0004 -7.0004 -6.8537 -6.8537 -1.9936 -1.9936 -0.5709 -0.5709 4.1748 4.1748 5.6545 5.6545 5.9127 5.9127 5.9802 5.9802 6.3472 6.3472 6.8311 6.8311 6.8881 6.8881 7.0734 7.0734 7.1453 7.1453 7.2559 7.2559 7.2866 7.2866 8.2904 8.2904 8.5068 8.5068 8.5705 8.5705 10.5713 10.5713 11.8462 11.8462 11.9783 11.9783 12.2371 12.2371 12.3825 12.3825 k = 0.2939 0.6442 0.4044 ( 3321 PWs) bands (ev): -25.1407 -25.1407 -8.0498 -8.0498 -7.0004 -7.0004 -6.8537 -6.8537 -1.9936 -1.9936 -0.5709 -0.5709 4.1748 4.1748 5.6545 5.6545 5.9127 5.9127 5.9802 5.9802 6.3472 6.3472 6.8311 6.8311 6.8881 6.8881 7.0734 7.0734 7.1453 7.1453 7.2559 7.2559 7.2866 7.2866 8.2904 8.2904 8.5068 8.5068 8.5705 8.5705 10.5713 10.5713 11.8462 11.8462 11.9783 11.9783 12.2371 12.2371 12.3825 12.3825 k = 0.2766 0.6398 0.4095 ( 3314 PWs) bands (ev): -25.1406 -25.1406 -8.0502 -8.0502 -7.0014 -7.0014 -6.8532 -6.8532 -1.9952 -1.9952 -0.5579 -0.5579 4.1632 4.1632 5.6406 5.6406 5.9180 5.9180 5.9758 5.9758 6.3514 6.3514 6.8311 6.8311 6.8930 6.8930 7.0725 7.0725 7.1433 7.1433 7.2509 7.2509 7.2833 7.2833 8.2524 8.2524 8.5173 8.5173 8.5768 8.5768 10.5462 10.5462 11.8546 11.8546 11.9692 11.9692 12.2166 12.2166 12.4612 12.4612 k = 0.2593 0.6354 0.4146 ( 3316 PWs) bands (ev): -25.1406 -25.1406 -8.0506 -8.0506 -7.0022 -7.0022 -6.8528 -6.8528 -1.9979 -1.9979 -0.5439 -0.5439 4.1561 4.1561 5.6088 5.6088 5.9341 5.9341 5.9724 5.9724 6.3564 6.3564 6.8295 6.8295 6.8983 6.8983 7.0716 7.0716 7.1419 7.1419 7.2456 7.2456 7.2805 7.2805 8.1934 8.1934 8.5421 8.5421 8.5974 8.5974 10.5191 10.5191 11.8028 11.8028 11.9552 11.9552 12.2020 12.2020 12.6075 12.6075 k = 0.2420 0.6311 0.4196 ( 3315 PWs) bands (ev): -25.1405 -25.1405 -8.0510 -8.0510 -7.0030 -7.0030 -6.8523 -6.8523 -2.0014 -2.0014 -0.5291 -0.5291 4.1538 4.1538 5.5641 5.5641 5.9508 5.9508 5.9755 5.9755 6.3620 6.3620 6.8264 6.8264 6.9042 6.9042 7.0708 7.0708 7.1412 7.1412 7.2401 7.2401 7.2784 7.2784 8.1292 8.1292 8.5599 8.5599 8.6378 8.6378 10.4908 10.4908 11.7008 11.7008 11.9661 11.9661 12.1966 12.1966 12.7778 12.7778 k = 0.2247 0.6267 0.4247 ( 3314 PWs) bands (ev): -25.1405 -25.1405 -8.0513 -8.0513 -7.0038 -7.0038 -6.8518 -6.8518 -2.0055 -2.0055 -0.5139 -0.5139 4.1562 4.1562 5.5108 5.5108 5.9532 5.9532 5.9963 5.9963 6.3680 6.3680 6.8220 6.8220 6.9105 6.9105 7.0698 7.0698 7.1412 7.1412 7.2346 7.2346 7.2769 7.2769 8.0660 8.0660 8.5708 8.5708 8.6913 8.6913 10.4619 10.4619 11.5844 11.5844 11.9796 11.9796 12.2000 12.2000 12.9584 12.9584 k = 0.2074 0.6224 0.4297 ( 3322 PWs) bands (ev): -25.1404 -25.1404 -8.0516 -8.0516 -7.0045 -7.0045 -6.8514 -6.8514 -2.0101 -2.0101 -0.4986 -0.4986 4.1636 4.1636 5.4513 5.4513 5.9496 5.9496 6.0242 6.0242 6.3743 6.3743 6.8164 6.8164 6.9172 6.9172 7.0687 7.0687 7.1419 7.1419 7.2291 7.2291 7.2760 7.2760 8.0062 8.0062 8.5793 8.5793 8.7508 8.7508 10.4331 10.4331 11.4649 11.4649 11.9885 11.9885 12.2126 12.2126 13.1438 13.1438 k = 0.1901 0.6180 0.4348 ( 3326 PWs) bands (ev): -25.1404 -25.1404 -8.0519 -8.0519 -7.0051 -7.0051 -6.8509 -6.8509 -2.0149 -2.0149 -0.4835 -0.4835 4.1758 4.1758 5.3873 5.3873 5.9451 5.9451 6.0531 6.0531 6.3807 6.3807 6.8098 6.8098 6.9241 6.9241 7.0672 7.0672 7.1431 7.1431 7.2237 7.2237 7.2758 7.2758 7.9507 7.9507 8.5868 8.5868 8.8134 8.8134 10.4048 10.4048 11.3461 11.3461 11.9915 11.9915 12.2336 12.2336 13.3213 13.3213 k = 0.1729 0.6137 0.4399 ( 3323 PWs) bands (ev): -25.1404 -25.1404 -8.0521 -8.0521 -7.0057 -7.0057 -6.8505 -6.8505 -2.0198 -2.0198 -0.4689 -0.4689 4.1930 4.1930 5.3200 5.3200 5.9405 5.9405 6.0814 6.0814 6.3873 6.3873 6.8025 6.8025 6.9312 6.9312 7.0654 7.0654 7.1446 7.1446 7.2187 7.2187 7.2763 7.2763 7.8999 7.8999 8.5937 8.5937 8.8780 8.8780 10.3775 10.3775 11.2298 11.2298 11.9897 11.9897 12.2609 12.2609 13.2912 13.2912 k = 0.1556 0.6093 0.4449 ( 3322 PWs) bands (ev): -25.1404 -25.1404 -8.0523 -8.0523 -7.0062 -7.0062 -6.8500 -6.8500 -2.0246 -2.0246 -0.4550 -0.4550 4.2151 4.2151 5.2503 5.2503 5.9360 5.9360 6.1084 6.1084 6.3937 6.3937 6.7946 6.7946 6.9384 6.9384 7.0633 7.0633 7.1464 7.1464 7.2139 7.2139 7.2774 7.2774 7.8537 7.8537 8.6002 8.6002 8.9435 8.9435 10.3518 10.3518 11.1171 11.1171 11.9849 11.9849 12.2919 12.2919 13.2503 13.2503 k = 0.1383 0.6050 0.4500 ( 3320 PWs) bands (ev): -25.1403 -25.1403 -8.0525 -8.0525 -7.0067 -7.0067 -6.8496 -6.8496 -2.0292 -2.0292 -0.4420 -0.4420 4.2420 4.2420 5.1790 5.1790 5.9318 5.9318 6.1336 6.1336 6.3999 6.3999 6.7863 6.7863 6.9456 6.9456 7.0609 7.0609 7.1482 7.1482 7.2095 7.2095 7.2791 7.2791 7.8124 7.8124 8.6061 8.6061 9.0092 9.0092 10.3278 10.3278 11.0091 11.0091 11.9785 11.9785 12.3247 12.3247 13.2132 13.2132 k = 0.1210 0.6006 0.4551 ( 3322 PWs) bands (ev): -25.1403 -25.1403 -8.0527 -8.0527 -7.0071 -7.0071 -6.8493 -6.8493 -2.0336 -2.0336 -0.4301 -0.4301 4.2738 4.2738 5.1067 5.1067 5.9280 5.9280 6.1568 6.1568 6.4058 6.4058 6.7780 6.7780 6.9526 6.9526 7.0582 7.0582 7.1498 7.1498 7.2056 7.2056 7.2814 7.2814 7.7757 7.7757 8.6115 8.6115 9.0742 9.0742 10.3060 10.3060 10.9067 10.9067 11.9716 11.9716 12.3574 12.3574 13.1802 13.1802 k = 0.1037 0.5962 0.4601 ( 3324 PWs) bands (ev): -25.1403 -25.1403 -8.0528 -8.0528 -7.0075 -7.0075 -6.8489 -6.8489 -2.0375 -2.0375 -0.4195 -0.4195 4.3101 4.3101 5.0342 5.0342 5.9246 5.9246 6.1776 6.1776 6.4114 6.4114 6.7699 6.7699 6.9594 6.9594 7.0553 7.0553 7.1512 7.1512 7.2022 7.2022 7.2841 7.2841 7.7437 7.7437 8.6163 8.6163 9.1373 9.1373 10.2867 10.2867 10.8110 10.8110 11.9647 11.9647 12.3887 12.3887 13.1513 13.1513 k = 0.0864 0.5919 0.4652 ( 3328 PWs) bands (ev): -25.1403 -25.1403 -8.0530 -8.0530 -7.0078 -7.0078 -6.8487 -6.8487 -2.0410 -2.0410 -0.4103 -0.4103 4.3510 4.3510 4.9620 4.9620 5.9216 5.9216 6.1957 6.1957 6.4164 6.4164 6.7623 6.7623 6.9659 6.9659 7.0522 7.0522 7.1523 7.1523 7.1994 7.1994 7.2870 7.2870 7.7164 7.7164 8.6204 8.6204 9.1972 9.1972 10.2699 10.2699 10.7235 10.7235 11.9584 11.9584 12.4173 12.4173 13.1267 13.1267 k = 0.0691 0.5875 0.4702 ( 3324 PWs) bands (ev): -25.1403 -25.1403 -8.0531 -8.0531 -7.0080 -7.0080 -6.8484 -6.8484 -2.0439 -2.0439 -0.4026 -0.4026 4.3961 4.3961 4.8908 4.8908 5.9192 5.9192 6.2110 6.2110 6.4208 6.4208 6.7555 6.7555 6.9718 6.9718 7.0492 7.0492 7.1531 7.1531 7.1972 7.1972 7.2900 7.2900 7.6938 7.6938 8.6240 8.6240 9.2519 9.2519 10.2561 10.2561 10.6461 10.6461 11.9530 11.9530 12.4423 12.4423 13.1065 13.1065 k = 0.0519 0.5832 0.4753 ( 3325 PWs) bands (ev): -25.1403 -25.1403 -8.0531 -8.0531 -7.0082 -7.0082 -6.8482 -6.8482 -2.0463 -2.0463 -0.3966 -0.3966 4.4450 4.4450 4.8211 4.8211 5.9173 5.9173 6.2231 6.2231 6.4244 6.4244 6.7497 6.7497 6.9769 6.9769 7.0463 7.0463 7.1536 7.1536 7.1955 7.1955 7.2927 7.2927 7.6760 7.6760 8.6267 8.6267 9.2991 9.2991 10.2452 10.2452 10.5811 10.5811 11.9486 11.9486 12.4627 12.4627 13.0907 13.0907 k = 0.0346 0.5788 0.4804 ( 3321 PWs) bands (ev): -25.1402 -25.1402 -8.0532 -8.0532 -7.0083 -7.0083 -6.8481 -6.8481 -2.0480 -2.0480 -0.3922 -0.3922 4.4972 4.4972 4.7540 4.7540 5.9159 5.9159 6.2319 6.2319 6.4271 6.4271 6.7454 6.7454 6.9810 6.9810 7.0439 7.0439 7.1539 7.1539 7.1943 7.1943 7.2950 7.2950 7.6632 7.6632 8.6287 8.6287 9.3360 9.3360 10.2375 10.2375 10.5314 10.5314 11.9454 11.9454 12.4779 12.4779 13.0794 13.0794 k = 0.0173 0.5745 0.4854 ( 3323 PWs) bands (ev): -25.1402 -25.1402 -8.0532 -8.0532 -7.0084 -7.0084 -6.8480 -6.8480 -2.0490 -2.0490 -0.3895 -0.3895 4.5505 4.5505 4.6917 4.6917 5.9151 5.9151 6.2373 6.2373 6.4288 6.4288 6.7427 6.7427 6.9836 6.9836 7.0422 7.0422 7.1541 7.1541 7.1936 7.1936 7.2964 7.2964 7.6554 7.6554 8.6300 8.6300 9.3597 9.3597 10.2329 10.2329 10.5000 10.5000 11.9434 11.9434 12.4872 12.4872 13.0726 13.0726 k = 0.0000 0.5701 0.4905 ( 3326 PWs) bands (ev): -25.1402 -25.1402 -8.0532 -8.0532 -7.0084 -7.0084 -6.8480 -6.8480 -2.0493 -2.0493 -0.3887 -0.3887 4.5862 4.5862 4.6530 4.6530 5.9148 5.9148 6.2391 6.2391 6.4293 6.4293 6.7417 6.7417 6.9845 6.9845 7.0416 7.0416 7.1541 7.1541 7.1934 7.1934 7.2969 7.2969 7.6528 7.6528 8.6303 8.6303 9.3679 9.3679 10.2313 10.2313 10.4892 10.4892 11.9427 11.9427 12.4903 12.4903 13.0704 13.0704 k = 0.0000 0.5701 0.4905 ( 3326 PWs) bands (ev): -25.1402 -25.1402 -8.0532 -8.0532 -7.0084 -7.0084 -6.8480 -6.8480 -2.0493 -2.0493 -0.3887 -0.3887 4.5862 4.5862 4.6530 4.6530 5.9148 5.9148 6.2391 6.2391 6.4293 6.4293 6.7417 6.7417 6.9845 6.9845 7.0416 7.0416 7.1541 7.1541 7.1934 7.1934 7.2969 7.2969 7.6528 7.6528 8.6303 8.6303 9.3679 9.3679 10.2313 10.2313 10.4892 10.4892 11.9427 11.9427 12.4903 12.4903 13.0704 13.0704 k = 0.0068 0.5587 0.5038 ( 3322 PWs) bands (ev): -25.1402 -25.1402 -8.0532 -8.0532 -7.0084 -7.0084 -6.8481 -6.8481 -2.0495 -2.0495 -0.3880 -0.3880 4.5867 4.5867 4.6529 4.6529 5.9132 5.9132 6.2402 6.2402 6.4291 6.4291 6.7422 6.7422 6.9840 6.9840 7.0415 7.0415 7.1541 7.1541 7.1945 7.1945 7.2967 7.2967 7.6529 7.6529 8.6282 8.6282 9.3650 9.3650 10.2140 10.2140 10.4923 10.4923 11.9609 11.9609 12.4946 12.4946 13.0743 13.0743 k = 0.0135 0.5473 0.5170 ( 3320 PWs) bands (ev): -25.1402 -25.1402 -8.0532 -8.0532 -7.0081 -7.0081 -6.8486 -6.8486 -2.0499 -2.0499 -0.3859 -0.3859 4.5882 4.5882 4.6523 4.6523 5.9085 5.9085 6.2436 6.2436 6.4284 6.4284 6.7437 6.7437 6.9824 6.9824 7.0411 7.0411 7.1539 7.1539 7.1976 7.1976 7.2960 7.2960 7.6532 7.6532 8.6220 8.6220 9.3564 9.3564 10.1658 10.1658 10.4995 10.4995 12.0135 12.0135 12.5073 12.5073 13.0860 13.0860 k = 0.0203 0.5359 0.5303 ( 3324 PWs) bands (ev): -25.1402 -25.1402 -8.0532 -8.0532 -7.0077 -7.0077 -6.8493 -6.8493 -2.0506 -2.0506 -0.3824 -0.3824 4.5907 4.5907 4.6514 4.6514 5.9010 5.9010 6.2490 6.2490 6.4271 6.4271 6.7461 6.7461 6.9799 6.9799 7.0403 7.0403 7.1540 7.1540 7.2023 7.2023 7.2949 7.2949 7.6536 7.6536 8.6118 8.6118 9.3422 9.3422 10.0942 10.0942 10.5078 10.5078 12.0960 12.0960 12.5282 12.5282 13.1054 13.1054 k = 0.0270 0.5245 0.5435 ( 3320 PWs) bands (ev): -25.1401 -25.1401 -8.0532 -8.0532 -7.0071 -7.0071 -6.8504 -6.8504 -2.0515 -2.0515 -0.3776 -0.3776 4.5940 4.5940 4.6502 4.6502 5.8910 5.8910 6.2560 6.2560 6.4255 6.4255 6.7493 6.7493 6.9767 6.9767 7.0392 7.0392 7.1546 7.1546 7.2082 7.2082 7.2935 7.2935 7.6543 7.6543 8.5977 8.5977 9.3226 9.3226 10.0063 10.0063 10.5156 10.5156 12.2028 12.2028 12.5572 12.5572 13.1321 13.1321 k = 0.0338 0.5131 0.5568 ( 3324 PWs) bands (ev): -25.1400 -25.1400 -8.0532 -8.0532 -7.0064 -7.0064 -6.8517 -6.8517 -2.0528 -2.0528 -0.3715 -0.3715 4.5982 4.5982 4.6486 4.6486 5.8791 5.8791 6.2641 6.2641 6.4237 6.4237 6.7532 6.7532 6.9729 6.9729 7.0377 7.0377 7.1557 7.1557 7.2146 7.2146 7.2919 7.2919 7.6552 7.6552 8.5802 8.5802 9.2978 9.2978 9.9076 9.9076 10.5226 10.5226 12.3287 12.3287 12.5938 12.5938 13.1657 13.1657 k = 0.0405 0.5017 0.5700 ( 3326 PWs) bands (ev): -25.1399 -25.1399 -8.0532 -8.0532 -7.0055 -7.0055 -6.8533 -6.8533 -2.0543 -2.0543 -0.3640 -0.3640 4.6030 4.6030 4.6466 4.6466 5.8656 5.8656 6.2730 6.2730 6.4217 6.4217 6.7578 6.7578 6.9688 6.9688 7.0361 7.0361 7.1573 7.1573 7.2215 7.2215 7.2903 7.2903 7.6562 7.6562 8.5594 8.5594 9.2682 9.2682 9.8021 9.8021 10.5289 10.5289 12.4691 12.4691 12.6377 12.6377 13.2057 13.2057 k = 0.0473 0.4903 0.5833 ( 3328 PWs) bands (ev): -25.1398 -25.1398 -8.0533 -8.0533 -7.0045 -7.0045 -6.8552 -6.8552 -2.0560 -2.0560 -0.3553 -0.3553 4.6082 4.6082 4.6444 4.6444 5.8510 5.8510 6.2823 6.2823 6.4196 6.4196 6.7630 6.7630 6.9645 6.9645 7.0344 7.0344 7.1591 7.1591 7.2284 7.2284 7.2889 7.2889 7.6574 7.6574 8.5359 8.5359 9.2341 9.2341 9.6930 9.6930 10.5347 10.5347 12.6204 12.6204 12.6883 12.6883 13.2518 13.2518 k = 0.0541 0.4789 0.5966 ( 3330 PWs) bands (ev): -25.1396 -25.1396 -8.0533 -8.0533 -7.0033 -7.0033 -6.8572 -6.8572 -2.0580 -2.0580 -0.3454 -0.3454 4.6137 4.6137 4.6419 4.6419 5.8357 5.8357 6.2916 6.2916 6.4178 6.4178 6.7685 6.7685 6.9602 6.9602 7.0328 7.0328 7.1608 7.1608 7.2351 7.2351 7.2881 7.2881 7.6588 7.6588 8.5100 8.5100 9.1960 9.1960 9.5826 9.5826 10.5398 10.5398 12.7437 12.7437 12.7815 12.7815 13.3031 13.3031 k = 0.0608 0.4675 0.6098 ( 3326 PWs) bands (ev): -25.1394 -25.1394 -8.0533 -8.0533 -7.0021 -7.0021 -6.8595 -6.8595 -2.0602 -2.0602 -0.3342 -0.3342 4.6190 4.6190 4.6395 4.6395 5.8200 5.8200 6.3007 6.3007 6.4164 6.4164 6.7742 6.7742 6.9561 6.9561 7.0315 7.0315 7.1620 7.1620 7.2416 7.2416 7.2882 7.2882 7.6605 7.6605 8.4821 8.4821 9.1543 9.1543 9.4725 9.4725 10.5444 10.5444 12.8059 12.8059 12.9474 12.9474 13.3593 13.3593 k = 0.0676 0.4561 0.6231 ( 3322 PWs) bands (ev): -25.1393 -25.1393 -8.0534 -8.0534 -7.0007 -7.0007 -6.8619 -6.8619 -2.0627 -2.0627 -0.3220 -0.3220 4.6231 4.6231 4.6378 4.6378 5.8042 5.8042 6.3093 6.3093 6.4155 6.4155 6.7799 6.7799 6.9524 6.9524 7.0304 7.0304 7.1626 7.1626 7.2475 7.2475 7.2892 7.2892 7.6623 7.6623 8.4525 8.4525 9.1094 9.1094 9.3641 9.3641 10.5482 10.5482 12.8723 12.8723 13.1184 13.1184 13.4196 13.4196 k = 0.0743 0.4446 0.6363 ( 3322 PWs) bands (ev): -25.1391 -25.1391 -8.0534 -8.0534 -6.9993 -6.9993 -6.8644 -6.8644 -2.0653 -2.0653 -0.3087 -0.3087 4.6241 4.6241 4.6386 4.6386 5.7885 5.7885 6.3172 6.3172 6.4152 6.4152 6.7854 6.7854 6.9492 6.9492 7.0297 7.0297 7.1621 7.1621 7.2528 7.2528 7.2915 7.2915 7.6643 7.6643 8.4217 8.4217 9.0617 9.0617 9.2584 9.2584 10.5511 10.5511 12.9425 12.9425 13.2923 13.2923 13.4836 13.4836 k = 0.0811 0.4332 0.6496 ( 3312 PWs) bands (ev): -25.1389 -25.1389 -8.0535 -8.0535 -6.9979 -6.9979 -6.8670 -6.8670 -2.0682 -2.0682 -0.2944 -0.2944 4.6218 4.6218 4.6418 4.6418 5.7732 5.7732 6.3243 6.3243 6.4158 6.4158 6.7906 6.7906 6.9468 6.9468 7.0295 7.0295 7.1606 7.1606 7.2577 7.2577 7.2949 7.2949 7.6666 7.6666 8.3901 8.3901 9.0117 9.0117 9.1563 9.1563 10.5527 10.5527 13.0157 13.0157 13.4667 13.4667 13.5520 13.5520 k = 0.0878 0.4218 0.6628 ( 3316 PWs) bands (ev): -25.1387 -25.1387 -8.0536 -8.0536 -6.9964 -6.9964 -6.8697 -6.8697 -2.0712 -2.0712 -0.2791 -0.2791 4.6178 4.6178 4.6458 4.6458 5.7584 5.7584 6.3306 6.3306 6.4172 6.4172 6.7951 6.7951 6.9453 6.9453 7.0295 7.0295 7.1579 7.1579 7.2621 7.2621 7.2993 7.2993 7.6691 7.6691 8.3578 8.3578 8.9596 8.9596 9.0586 9.0586 10.5529 10.5529 13.0913 13.0913 13.6083 13.6083 13.6558 13.6558 k = 0.0946 0.4104 0.6761 ( 3324 PWs) bands (ev): -25.1384 -25.1384 -8.0538 -8.0538 -6.9948 -6.9948 -6.8724 -6.8724 -2.0744 -2.0744 -0.2631 -0.2631 4.6130 4.6130 4.6493 4.6493 5.7442 5.7442 6.3361 6.3361 6.4195 6.4195 6.7990 6.7990 6.9448 6.9448 7.0299 7.0299 7.1543 7.1543 7.2662 7.2662 7.3043 7.3043 7.6718 7.6718 8.3253 8.3253 8.9051 8.9051 8.9664 8.9664 10.5512 10.5512 13.1683 13.1683 13.6837 13.6837 13.8258 13.8258 k = 0.1014 0.3990 0.6894 ( 3320 PWs) bands (ev): -25.1382 -25.1382 -8.0540 -8.0540 -6.9934 -6.9934 -6.8751 -6.8751 -2.0777 -2.0777 -0.2463 -0.2463 4.6076 4.6076 4.6520 4.6520 5.7309 5.7309 6.3412 6.3412 6.4225 6.4225 6.8020 6.8020 6.9453 6.9453 7.0305 7.0305 7.1501 7.1501 7.2701 7.2701 7.3098 7.3098 7.6748 7.6748 8.2929 8.2929 8.8463 8.8463 8.8826 8.8826 10.5475 10.5475 13.2462 13.2462 13.7550 13.7550 13.9948 13.9948 k = 0.1081 0.3876 0.7026 ( 3324 PWs) bands (ev): -25.1380 -25.1380 -8.0541 -8.0541 -6.9919 -6.9919 -6.8777 -6.8777 -2.0812 -2.0812 -0.2289 -0.2289 4.6019 4.6019 4.6535 4.6535 5.7184 5.7184 6.3458 6.3458 6.4262 6.4262 6.8042 6.8042 6.9468 6.9468 7.0312 7.0312 7.1454 7.1454 7.2738 7.2738 7.3155 7.3155 7.6780 7.6780 8.2607 8.2607 8.7778 8.7778 8.8133 8.8133 10.5414 10.5414 13.3243 13.3243 13.8257 13.8257 14.1109 14.1109 k = 0.1149 0.3762 0.7159 ( 3326 PWs) bands (ev): -25.1377 -25.1377 -8.0544 -8.0544 -6.9905 -6.9905 -6.8802 -6.8802 -2.0847 -2.0847 -0.2109 -0.2109 4.5957 4.5957 4.6537 4.6537 5.7070 5.7070 6.3504 6.3504 6.4302 6.4302 6.8056 6.8056 6.9491 6.9491 7.0319 7.0319 7.1406 7.1406 7.2773 7.2773 7.3214 7.3214 7.6816 7.6816 8.2289 8.2289 8.7038 8.7038 8.7548 8.7548 10.5327 10.5327 13.4018 13.4018 13.8954 13.8954 14.0705 14.0705 k = 0.1216 0.3648 0.7291 ( 3328 PWs) bands (ev): -25.1375 -25.1375 -8.0546 -8.0546 -6.9893 -6.9893 -6.8826 -6.8826 -2.0883 -2.0883 -0.1926 -0.1926 4.5893 4.5893 4.6523 4.6523 5.6966 5.6966 6.3550 6.3550 6.4345 6.4345 6.8063 6.8063 6.9519 6.9519 7.0326 7.0326 7.1359 7.1359 7.2805 7.2805 7.3273 7.3273 7.6855 7.6855 8.1979 8.1979 8.6322 8.6322 8.6997 8.6997 10.5210 10.5210 13.4783 13.4783 13.9610 13.9610 14.0165 14.0165 k = 0.1284 0.3534 0.7424 ( 3332 PWs) bands (ev): -25.1373 -25.1373 -8.0549 -8.0549 -6.9881 -6.9881 -6.8848 -6.8848 -2.0919 -2.0919 -0.1739 -0.1739 4.5827 4.5827 4.6494 4.6494 5.6873 5.6873 6.3598 6.3598 6.4389 6.4389 6.8065 6.8065 6.9548 6.9548 7.0331 7.0331 7.1315 7.1315 7.2837 7.2837 7.3331 7.3331 7.6898 7.6898 8.1676 8.1676 8.5653 8.5653 8.6463 8.6463 10.5063 10.5063 13.5532 13.5532 13.9554 13.9554 14.0384 14.0384 k = 0.1351 0.3420 0.7556 ( 3334 PWs) bands (ev): -25.1370 -25.1370 -8.0552 -8.0552 -6.9871 -6.9871 -6.8869 -6.8869 -2.0956 -2.0956 -0.1551 -0.1551 4.5759 4.5759 4.6450 4.6450 5.6791 5.6791 6.3649 6.3649 6.4434 6.4434 6.8064 6.8064 6.9575 6.9575 7.0334 7.0334 7.1275 7.1275 7.2869 7.2869 7.3389 7.3389 7.6944 7.6944 8.1384 8.1384 8.5036 8.5036 8.5943 8.5943 10.4885 10.4885 13.6260 13.6260 13.9142 13.9142 14.1030 14.1030 k = 0.1419 0.3306 0.7689 ( 3332 PWs) bands (ev): -25.1368 -25.1368 -8.0555 -8.0555 -6.9862 -6.9862 -6.8887 -6.8887 -2.0992 -2.0992 -0.1362 -0.1362 4.5690 4.5690 4.6389 4.6389 5.6719 5.6719 6.3704 6.3704 6.4478 6.4478 6.8061 6.8061 6.9597 6.9597 7.0335 7.0335 7.1241 7.1241 7.2904 7.2904 7.3447 7.3447 7.6995 7.6995 8.1101 8.1101 8.4471 8.4471 8.5441 8.5441 10.4676 10.4676 13.6963 13.6963 13.8808 13.8808 14.1674 14.1674 k = 0.1486 0.3192 0.7822 ( 3336 PWs) bands (ev): -25.1365 -25.1365 -8.0559 -8.0559 -6.9855 -6.9855 -6.8903 -6.8903 -2.1029 -2.1029 -0.1174 -0.1174 4.5621 4.5621 4.6314 4.6314 5.6658 5.6658 6.3762 6.3762 6.4520 6.4520 6.8057 6.8057 6.9608 6.9608 7.0337 7.0337 7.1211 7.1211 7.2941 7.2941 7.3502 7.3502 7.7050 7.7050 8.0830 8.0830 8.3958 8.3958 8.4957 8.4957 10.4437 10.4437 13.7636 13.7636 13.8571 13.8571 14.2300 14.2300 k = 0.1554 0.3078 0.7954 ( 3338 PWs) bands (ev): -25.1363 -25.1363 -8.0562 -8.0562 -6.9850 -6.9850 -6.8916 -6.8916 -2.1064 -2.1064 -0.0989 -0.0989 4.5552 4.5552 4.6225 4.6225 5.6607 5.6607 6.3823 6.3823 6.4561 6.4561 6.8053 6.8053 6.9608 6.9608 7.0338 7.0338 7.1186 7.1186 7.2983 7.2983 7.3557 7.3557 7.7110 7.7110 8.0570 8.0570 8.3495 8.3495 8.4495 8.4495 10.4170 10.4170 13.8241 13.8241 13.8467 13.8467 14.2905 14.2905 k = 0.1622 0.2964 0.8087 ( 3344 PWs) bands (ev): -25.1361 -25.1361 -8.0566 -8.0566 -6.9846 -6.9846 -6.8927 -6.8927 -2.1099 -2.1099 -0.0808 -0.0808 4.5484 4.5484 4.6124 4.6124 5.6566 5.6566 6.3885 6.3885 6.4599 6.4599 6.8050 6.8050 6.9596 6.9596 7.0339 7.0339 7.1164 7.1164 7.3031 7.3031 7.3610 7.3610 7.7174 7.7174 8.0321 8.0321 8.3080 8.3080 8.4059 8.4059 10.3880 10.3880 13.8347 13.8347 13.8927 13.8927 14.3485 14.3485 k = 0.1689 0.2850 0.8219 ( 3340 PWs) bands (ev): -25.1359 -25.1359 -8.0570 -8.0570 -6.9844 -6.9844 -6.8936 -6.8936 -2.1132 -2.1132 -0.0632 -0.0632 4.5418 4.5418 4.6015 4.6015 5.6533 5.6533 6.3948 6.3948 6.4636 6.4636 6.8050 6.8050 6.9573 6.9573 7.0339 7.0339 7.1144 7.1144 7.3087 7.3087 7.3663 7.3663 7.7242 7.7242 8.0084 8.0084 8.2710 8.2710 8.3651 8.3651 10.3570 10.3570 13.8398 13.8398 13.9504 13.9504 14.4037 14.4037 k = 0.1757 0.2736 0.8352 ( 3338 PWs) bands (ev): -25.1357 -25.1357 -8.0573 -8.0573 -6.9844 -6.9844 -6.8942 -6.8942 -2.1164 -2.1164 -0.0463 -0.0463 4.5355 4.5355 4.5898 4.5898 5.6508 5.6508 6.4011 6.4011 6.4671 6.4671 6.8051 6.8051 6.9540 6.9540 7.0338 7.0338 7.1126 7.1126 7.3150 7.3150 7.3715 7.3715 7.7313 7.7313 7.9857 7.9857 8.2381 8.2381 8.3275 8.3275 10.3248 10.3248 13.8533 13.8533 14.0055 14.0055 14.4557 14.4557 k = 0.1824 0.2622 0.8484 ( 3334 PWs) bands (ev): -25.1355 -25.1355 -8.0577 -8.0577 -6.9844 -6.9844 -6.8946 -6.8946 -2.1194 -2.1194 -0.0303 -0.0303 4.5294 4.5294 4.5778 4.5778 5.6491 5.6491 6.4072 6.4072 6.4703 6.4703 6.8053 6.8053 6.9501 6.9501 7.0332 7.0332 7.1109 7.1109 7.3221 7.3221 7.3766 7.3766 7.7387 7.7387 7.9642 7.9642 8.2092 8.2092 8.2932 8.2932 10.2918 10.2918 13.8755 13.8755 14.0576 14.0576 14.5039 14.5039 k = 0.1892 0.2508 0.8617 ( 3336 PWs) bands (ev): -25.1353 -25.1353 -8.0581 -8.0581 -6.9846 -6.9846 -6.8949 -6.8949 -2.1222 -2.1222 -0.0152 -0.0152 4.5237 4.5237 4.5658 4.5658 5.6479 5.6479 6.4130 6.4130 6.4733 6.4733 6.8056 6.8056 6.9459 6.9459 7.0324 7.0324 7.1092 7.1092 7.3297 7.3297 7.3814 7.3814 7.7462 7.7462 7.9438 7.9438 8.1838 8.1838 8.2625 8.2625 10.2588 10.2588 13.9058 13.9058 14.1064 14.1064 14.5477 14.5477 k = 0.1959 0.2393 0.8749 ( 3336 PWs) bands (ev): -25.1351 -25.1351 -8.0584 -8.0584 -6.9849 -6.9849 -6.8951 -6.8951 -2.1248 -2.1248 -0.0013 -0.0013 4.5184 4.5184 4.5539 4.5539 5.6472 5.6472 6.4184 6.4184 6.4761 6.4761 6.8060 6.8060 6.9416 6.9416 7.0311 7.0311 7.1076 7.1076 7.3379 7.3379 7.3861 7.3861 7.7535 7.7535 7.9248 7.9248 8.1617 8.1617 8.2354 8.2354 10.2265 10.2265 13.9438 13.9438 14.1521 14.1521 14.5866 14.5866 k = 0.2027 0.2279 0.8882 ( 3334 PWs) bands (ev): -25.1350 -25.1350 -8.0587 -8.0587 -6.9852 -6.9852 -6.8951 -6.8951 -2.1272 -2.1272 0.0114 0.0114 4.5136 4.5136 4.5427 4.5427 5.6469 5.6469 6.4233 6.4233 6.4786 6.4786 6.8065 6.8065 6.9374 6.9374 7.0296 7.0296 7.1059 7.1059 7.3464 7.3464 7.3903 7.3903 7.7603 7.7603 7.9073 7.9073 8.1426 8.1426 8.2122 8.2122 10.1957 10.1957 13.9888 13.9888 14.1945 14.1945 14.6198 14.6198 k = 0.2095 0.2165 0.9015 ( 3334 PWs) bands (ev): -25.1349 -25.1349 -8.0590 -8.0590 -6.9855 -6.9855 -6.8951 -6.8951 -2.1293 -2.1293 0.0227 0.0227 4.5092 4.5092 4.5324 4.5324 5.6469 5.6469 6.4276 6.4276 6.4808 6.4808 6.8070 6.8070 6.9335 6.9335 7.0280 7.0280 7.1042 7.1042 7.3550 7.3550 7.3941 7.3941 7.7663 7.7663 7.8917 7.8917 8.1264 8.1264 8.1925 8.1925 10.1672 10.1672 14.0401 14.0401 14.2334 14.2334 14.6470 14.6470 k = 0.2162 0.2051 0.9147 ( 3336 PWs) bands (ev): -25.1348 -25.1348 -8.0593 -8.0593 -6.9858 -6.9858 -6.8950 -6.8950 -2.1311 -2.1311 0.0324 0.0324 4.5053 4.5053 4.5233 4.5233 5.6471 5.6471 6.4313 6.4313 6.4827 6.4827 6.8074 6.8074 6.9300 6.9300 7.0263 7.0263 7.1027 7.1027 7.3634 7.3634 7.3972 7.3972 7.7710 7.7710 7.8784 7.8784 8.1128 8.1128 8.1764 8.1764 10.1416 10.1416 14.0967 14.0967 14.2683 14.2683 14.6681 14.6681 k = 0.2230 0.1937 0.9280 ( 3336 PWs) bands (ev): -25.1347 -25.1347 -8.0595 -8.0595 -6.9861 -6.9861 -6.8949 -6.8949 -2.1325 -2.1325 0.0405 0.0405 4.5018 4.5018 4.5157 4.5157 5.6474 5.6474 6.4344 6.4344 6.4843 6.4843 6.8077 6.8077 6.9271 6.9271 7.0248 7.0248 7.1012 7.1012 7.3712 7.3712 7.3996 7.3996 7.7742 7.7742 7.8679 7.8679 8.1018 8.1018 8.1636 8.1636 10.1196 10.1196 14.1575 14.1575 14.2989 14.2989 14.6832 14.6832 k = 0.2297 0.1823 0.9412 ( 3336 PWs) bands (ev): -25.1346 -25.1346 -8.0596 -8.0596 -6.9863 -6.9863 -6.8948 -6.8948 -2.1337 -2.1337 0.0469 0.0469 4.4988 4.4988 4.5098 4.5098 5.6477 5.6477 6.4368 6.4368 6.4856 6.4856 6.8080 6.8080 6.9248 6.9248 7.0235 7.0235 7.0999 7.0999 7.3783 7.3783 7.4011 7.4011 7.7758 7.7758 7.8604 7.8604 8.0934 8.0934 8.1539 8.1539 10.1018 10.1018 14.2205 14.2205 14.3244 14.3244 14.6928 14.6928 k = 0.2365 0.1709 0.9545 ( 3336 PWs) bands (ev): -25.1345 -25.1345 -8.0598 -8.0598 -6.9865 -6.9865 -6.8947 -6.8947 -2.1346 -2.1346 0.0515 0.0515 4.4964 4.4964 4.5058 4.5058 5.6479 5.6479 6.4385 6.4385 6.4866 6.4866 6.8081 6.8081 6.9232 6.9232 7.0225 7.0225 7.0990 7.0990 7.3842 7.3842 7.4017 7.4017 7.7761 7.7761 7.8557 7.8557 8.0873 8.0873 8.1471 8.1471 10.0888 10.0888 14.2813 14.2813 14.3445 14.3445 14.6936 14.6936 k = 0.2432 0.1595 0.9677 ( 3332 PWs) bands (ev): -25.1345 -25.1345 -8.0598 -8.0598 -6.9866 -6.9866 -6.8946 -6.8946 -2.1351 -2.1351 0.0543 0.0543 4.4946 4.4946 4.5036 4.5036 5.6481 5.6481 6.4395 6.4395 6.4871 6.4871 6.8082 6.8082 6.9222 6.9222 7.0219 7.0219 7.0984 7.0984 7.3884 7.3884 7.4016 7.4016 7.7759 7.7759 7.8533 7.8533 8.0838 8.0838 8.1432 8.1432 10.0808 10.0808 14.3288 14.3288 14.3609 14.3609 14.6533 14.6533 k = 0.2500 0.1481 0.9810 ( 3336 PWs) bands (ev): -25.1345 -25.1345 -8.0599 -8.0599 -6.9867 -6.9867 -6.8946 -6.8946 -2.1352 -2.1352 0.0553 0.0553 4.4940 4.4940 4.5029 4.5029 5.6482 5.6482 6.4399 6.4399 6.4873 6.4873 6.8083 6.8083 6.9218 6.9218 7.0217 7.0217 7.0982 7.0982 7.3900 7.3900 7.4014 7.4014 7.7757 7.7757 7.8525 7.8525 8.0826 8.0826 8.1418 8.1418 10.0781 10.0781 14.3444 14.3444 14.3720 14.3720 14.6294 14.6294 k = 0.2500 0.1481 0.9810 ( 3336 PWs) bands (ev): -25.1345 -25.1345 -8.0599 -8.0599 -6.9867 -6.9867 -6.8946 -6.8946 -2.1352 -2.1352 0.0553 0.0553 4.4940 4.4940 4.5029 4.5029 5.6482 5.6482 6.4399 6.4399 6.4873 6.4873 6.8083 6.8083 6.9218 6.9218 7.0217 7.0217 7.0982 7.0982 7.3900 7.3900 7.4014 7.4014 7.7757 7.7757 7.8525 7.8525 8.0826 8.0826 8.1418 8.1418 10.0781 10.0781 14.3444 14.3444 14.3720 14.3720 14.6294 14.6294 k = 0.2639 0.1563 0.9714 ( 3345 PWs) bands (ev): -25.1345 -25.1345 -8.0599 -8.0599 -6.9867 -6.9867 -6.8946 -6.8946 -2.1352 -2.1352 0.0551 0.0551 4.4907 4.4907 4.5068 4.5068 5.6476 5.6476 6.4317 6.4317 6.4949 6.4949 6.8083 6.8083 6.9216 6.9216 7.0217 7.0217 7.0981 7.0981 7.3896 7.3896 7.4014 7.4014 7.7727 7.7727 7.8563 7.8563 8.0829 8.0829 8.1424 8.1424 10.0818 10.0818 14.2385 14.2385 14.4600 14.4600 14.5670 14.5670 k = 0.2778 0.1646 0.9619 ( 3337 PWs) bands (ev): -25.1345 -25.1345 -8.0598 -8.0598 -6.9866 -6.9866 -6.8946 -6.8946 -2.1351 -2.1351 0.0545 0.0545 4.4852 4.4852 4.5142 4.5142 5.6457 5.6457 6.4148 6.4148 6.5103 6.5103 6.8085 6.8085 6.9212 6.9212 7.0221 7.0221 7.0981 7.0981 7.3885 7.3885 7.4014 7.4014 7.7647 7.7647 7.8669 7.8669 8.0839 8.0839 8.1443 8.1443 10.0927 10.0927 14.1231 14.1231 14.4065 14.4065 14.6199 14.6199 k = 0.2917 0.1728 0.9523 ( 3337 PWs) bands (ev): -25.1345 -25.1345 -8.0598 -8.0598 -6.9866 -6.9866 -6.8946 -6.8946 -2.1349 -2.1349 0.0534 0.0534 4.4802 4.4802 4.5228 4.5228 5.6426 5.6426 6.3951 6.3951 6.5274 6.5274 6.8088 6.8088 6.9205 6.9205 7.0227 7.0227 7.0979 7.0979 7.3867 7.3867 7.4013 7.4013 7.7542 7.7542 7.8820 7.8820 8.0856 8.0856 8.1474 8.1474 10.1104 10.1104 14.0116 14.0116 14.2912 14.2912 14.7195 14.7195 k = 0.3056 0.1810 0.9427 ( 3335 PWs) bands (ev): -25.1345 -25.1345 -8.0598 -8.0598 -6.9865 -6.9865 -6.8947 -6.8947 -2.1346 -2.1346 0.0516 0.0516 4.4760 4.4760 4.5325 4.5325 5.6382 5.6382 6.3742 6.3742 6.5445 6.5445 6.8092 6.8092 6.9194 6.9194 7.0234 7.0234 7.0975 7.0975 7.3844 7.3844 7.4011 7.4011 7.7429 7.7429 7.8995 7.8995 8.0879 8.0879 8.1520 8.1520 10.1342 10.1342 13.9047 13.9047 14.1705 14.1705 14.8079 14.8079 k = 0.3194 0.1892 0.9332 ( 3335 PWs) bands (ev): -25.1346 -25.1346 -8.0597 -8.0597 -6.9864 -6.9864 -6.8947 -6.8947 -2.1340 -2.1340 0.0490 0.0490 4.4727 4.4727 4.5437 4.5437 5.6326 5.6326 6.3527 6.3527 6.5609 6.5609 6.8097 6.8097 6.9181 6.9181 7.0241 7.0241 7.0969 7.0969 7.3816 7.3816 7.4008 7.4008 7.7320 7.7320 7.9182 7.9182 8.0910 8.0910 8.1582 8.1582 10.1637 10.1637 13.8030 13.8030 14.0495 14.0495 14.8792 14.8792 k = 0.3333 0.1975 0.9236 ( 3333 PWs) bands (ev): -25.1346 -25.1346 -8.0596 -8.0596 -6.9863 -6.9863 -6.8948 -6.8948 -2.1333 -2.1333 0.0456 0.0456 4.4703 4.4703 4.5563 4.5563 5.6258 5.6258 6.3309 6.3309 6.5765 6.5765 6.8103 6.8103 6.9165 6.9165 7.0246 7.0246 7.0960 7.0960 7.3782 7.3782 7.4005 7.4005 7.7224 7.7224 7.9368 7.9368 8.0948 8.0948 8.1663 8.1663 10.1981 10.1981 13.7068 13.7068 13.9301 13.9301 14.9334 14.9334 k = 0.3472 0.2057 0.9141 ( 3327 PWs) bands (ev): -25.1346 -25.1346 -8.0596 -8.0596 -6.9861 -6.9861 -6.8949 -6.8949 -2.1322 -2.1322 0.0412 0.0412 4.4689 4.4689 4.5707 4.5707 5.6181 5.6181 6.3088 6.3088 6.5910 6.5910 6.8110 6.8110 6.9147 6.9147 7.0251 7.0251 7.0949 7.0949 7.3743 7.3743 7.4000 7.4000 7.7145 7.7145 7.9543 7.9543 8.0993 8.0993 8.1767 8.1767 10.2366 10.2366 13.6165 13.6165 13.8140 13.8140 14.9737 14.9737 k = 0.3611 0.2139 0.9045 ( 3323 PWs) bands (ev): -25.1347 -25.1347 -8.0595 -8.0595 -6.9860 -6.9860 -6.8951 -6.8951 -2.1309 -2.1309 0.0357 0.0357 4.4684 4.4684 4.5868 4.5868 5.6097 5.6097 6.2868 6.2868 6.6042 6.6042 6.8118 6.8118 6.9128 6.9128 7.0253 7.0253 7.0936 7.0936 7.3700 7.3700 7.3996 7.3996 7.7086 7.7086 7.9697 7.9697 8.1045 8.1045 8.1900 8.1900 10.2782 10.2782 13.5325 13.5325 13.7024 13.7024 15.0038 15.0038 k = 0.3750 0.2222 0.8949 ( 3322 PWs) bands (ev): -25.1347 -25.1347 -8.0594 -8.0594 -6.9858 -6.9858 -6.8952 -6.8952 -2.1293 -2.1293 0.0292 0.0292 4.4689 4.4689 4.6047 4.6047 5.6005 5.6005 6.2649 6.2649 6.6161 6.6161 6.8127 6.8127 6.9108 6.9108 7.0252 7.0252 7.0921 7.0921 7.3652 7.3652 7.3991 7.3991 7.7049 7.7049 7.9826 7.9826 8.1100 8.1100 8.2064 8.2064 10.3218 10.3218 13.4550 13.4550 13.5966 13.5966 15.0272 15.0272 k = 0.3889 0.2304 0.8854 ( 3321 PWs) bands (ev): -25.1348 -25.1348 -8.0592 -8.0592 -6.9855 -6.9855 -6.8954 -6.8954 -2.1274 -2.1274 0.0216 0.0216 4.4704 4.4704 4.6243 4.6243 5.5909 5.5909 6.2434 6.2434 6.6265 6.6265 6.8137 6.8137 6.9089 6.9089 7.0247 7.0247 7.0904 7.0904 7.3601 7.3601 7.3987 7.3987 7.7035 7.7035 7.9926 7.9926 8.1154 8.1154 8.2262 8.2262 10.3664 10.3664 13.3845 13.3845 13.4978 13.4978 15.0463 15.0463 k = 0.4028 0.2386 0.8758 ( 3328 PWs) bands (ev): -25.1348 -25.1348 -8.0591 -8.0591 -6.9853 -6.9853 -6.8956 -6.8956 -2.1252 -2.1252 0.0129 0.0129 4.4729 4.4729 4.6456 4.6456 5.5811 5.5811 6.2222 6.2222 6.6354 6.6354 6.8147 6.8147 6.9070 6.9070 7.0239 7.0239 7.0885 7.0885 7.3547 7.3547 7.3982 7.3982 7.7044 7.7044 8.0001 8.0001 8.1204 8.1204 8.2489 8.2489 10.4107 10.4107 13.3213 13.3213 13.4074 13.4074 15.0625 15.0625 k = 0.4167 0.2468 0.8662 ( 3324 PWs) bands (ev): -25.1349 -25.1349 -8.0590 -8.0590 -6.9850 -6.9850 -6.8958 -6.8958 -2.1227 -2.1227 0.0031 0.0031 4.4765 4.4765 4.6684 4.6684 5.5712 5.5712 6.2018 6.2018 6.6426 6.6426 6.8159 6.8159 6.9054 6.9054 7.0228 7.0228 7.0866 7.0866 7.3491 7.3491 7.3977 7.3977 7.7076 7.7076 8.0055 8.0055 8.1250 8.1250 8.2740 8.2740 10.4535 10.4535 13.2656 13.2656 13.3266 13.3266 15.0768 15.0768 k = 0.4306 0.2551 0.8567 ( 3323 PWs) bands (ev): -25.1349 -25.1349 -8.0588 -8.0588 -6.9847 -6.9847 -6.8960 -6.8960 -2.1200 -2.1200 -0.0077 -0.0077 4.4811 4.4811 4.6924 4.6924 5.5615 5.5615 6.1823 6.1823 6.6483 6.6483 6.8170 6.8170 6.9041 6.9041 7.0214 7.0214 7.0846 7.0846 7.3434 7.3434 7.3972 7.3972 7.7128 7.7128 8.0093 8.0093 8.1291 8.1291 8.3006 8.3006 10.4933 10.4933 13.2178 13.2178 13.2568 13.2568 15.0897 15.0897 k = 0.4444 0.2633 0.8471 ( 3321 PWs) bands (ev): -25.1350 -25.1350 -8.0587 -8.0587 -6.9843 -6.9843 -6.8963 -6.8963 -2.1169 -2.1169 -0.0195 -0.0195 4.4868 4.4868 4.7174 4.7174 5.5520 5.5520 6.1640 6.1640 6.6523 6.6523 6.8182 6.8182 6.9032 6.9032 7.0198 7.0198 7.0825 7.0825 7.3375 7.3375 7.3966 7.3966 7.7200 7.7200 8.0120 8.0120 8.1329 8.1329 8.3280 8.3280 10.5289 10.5289 13.1778 13.1778 13.1994 13.1994 15.1011 15.1011 k = 0.4583 0.2715 0.8376 ( 3319 PWs) bands (ev): -25.1351 -25.1351 -8.0585 -8.0585 -6.9839 -6.9839 -6.8966 -6.8966 -2.1137 -2.1137 -0.0321 -0.0321 4.4935 4.4935 4.7427 4.7427 5.5429 5.5429 6.1472 6.1472 6.6546 6.6546 6.8193 6.8193 6.9028 6.9028 7.0181 7.0181 7.0804 7.0804 7.3316 7.3316 7.3961 7.3961 7.7289 7.7289 8.0139 8.0139 8.1366 8.1366 8.3555 8.3555 10.5591 10.5591 13.1452 13.1452 13.1561 13.1561 15.1108 15.1108 k = 0.4722 0.2797 0.8280 ( 3319 PWs) bands (ev): -25.1352 -25.1352 -8.0583 -8.0583 -6.9835 -6.9835 -6.8968 -6.8968 -2.1103 -2.1103 -0.0455 -0.0455 4.5014 4.5014 4.7681 4.7681 5.5344 5.5344 6.1322 6.1322 6.6551 6.6551 6.8203 6.8203 6.9029 6.9029 7.0163 7.0163 7.0781 7.0781 7.3257 7.3257 7.3956 7.3956 7.7389 7.7389 8.0153 8.0153 8.1407 8.1407 8.3824 8.3824 10.5828 10.5828 13.1192 13.1192 13.1289 13.1289 15.1182 15.1182 k = 0.4861 0.2880 0.8184 ( 3318 PWs) bands (ev): -25.1353 -25.1353 -8.0581 -8.0581 -6.9831 -6.9831 -6.8971 -6.8971 -2.1068 -2.1068 -0.0594 -0.0594 4.5105 4.5105 4.7928 4.7928 5.5266 5.5266 6.1194 6.1194 6.6540 6.6540 6.8211 6.8211 6.9035 6.9035 7.0146 7.0146 7.0757 7.0757 7.3200 7.3200 7.3951 7.3951 7.7497 7.7497 8.0164 8.0164 8.1455 8.1455 8.4082 8.4082 10.5994 10.5994 13.1038 13.1038 13.1145 13.1145 15.1225 15.1225 k = 0.5000 0.2962 0.8089 ( 3314 PWs) bands (ev): -25.1353 -25.1353 -8.0578 -8.0578 -6.9826 -6.9826 -6.8974 -6.8974 -2.1033 -2.1033 -0.0738 -0.0738 4.5206 4.5206 4.8163 4.8163 5.5195 5.5195 6.1093 6.1093 6.6511 6.6511 6.8218 6.8218 6.9048 6.9048 7.0130 7.0130 7.0734 7.0734 7.3143 7.3143 7.3947 7.3947 7.7608 7.7608 8.0175 8.0175 8.1517 8.1517 8.4326 8.4326 10.6085 10.6085 13.1013 13.1013 13.1108 13.1108 15.1228 15.1228 k = 0.5000 0.2962 0.8089 ( 3314 PWs) bands (ev): -25.1353 -25.1353 -8.0578 -8.0578 -6.9826 -6.9826 -6.8974 -6.8974 -2.1033 -2.1033 -0.0738 -0.0738 4.5206 4.5206 4.8163 4.8163 5.5195 5.5195 6.1093 6.1093 6.6511 6.6511 6.8218 6.8218 6.9048 6.9048 7.0130 7.0130 7.0734 7.0734 7.3143 7.3143 7.3947 7.3947 7.7608 7.7608 8.0175 8.0175 8.1517 8.1517 8.4326 8.4326 10.6085 10.6085 13.1013 13.1013 13.1108 13.1108 15.1228 15.1228 k = 0.5000 0.2962 0.7901 ( 3314 PWs) bands (ev): -25.1355 -25.1355 -8.0574 -8.0574 -6.9816 -6.9816 -6.8980 -6.8980 -2.0961 -2.0961 -0.1033 -0.1033 4.5429 4.5429 4.8625 4.8625 5.5056 5.5056 6.0920 6.0920 6.6434 6.6434 6.8232 6.8232 6.9075 6.9075 7.0101 7.0101 7.0688 7.0688 7.3039 7.3039 7.3937 7.3937 7.7834 7.7834 8.0201 8.0201 8.1666 8.1666 8.4804 8.4804 10.6196 10.6196 13.1050 13.1050 13.1148 13.1148 15.1231 15.1231 k = 0.5000 0.2962 0.7712 ( 3310 PWs) bands (ev): -25.1357 -25.1357 -8.0568 -8.0568 -6.9805 -6.9805 -6.8987 -6.8987 -2.0888 -2.0888 -0.1347 -0.1347 4.5674 4.5674 4.9114 4.9114 5.4899 5.4899 6.0747 6.0747 6.6348 6.6348 6.8250 6.8250 6.9098 6.9098 7.0078 7.0078 7.0640 7.0640 7.2944 7.2944 7.3927 7.3927 7.8081 7.8081 8.0237 8.0237 8.1834 8.1834 8.5312 8.5312 10.6323 10.6323 13.1050 13.1050 13.1147 13.1147 15.1228 15.1228 k = 0.5000 0.2962 0.7524 ( 3322 PWs) bands (ev): -25.1360 -25.1360 -8.0562 -8.0562 -6.9792 -6.9792 -6.8993 -6.8993 -2.0813 -2.0813 -0.1678 -0.1678 4.5940 4.5940 4.9626 4.9626 5.4726 5.4726 6.0578 6.0578 6.6252 6.6252 6.8273 6.8273 6.9113 6.9113 7.0060 7.0060 7.0591 7.0591 7.2860 7.2860 7.3915 7.3915 7.8346 7.8346 8.0286 8.0286 8.2022 8.2022 8.5848 8.5848 10.6465 10.6465 13.0984 13.0984 13.1126 13.1126 15.0895 15.0895 k = 0.5000 0.2962 0.7336 ( 3314 PWs) bands (ev): -25.1362 -25.1362 -8.0555 -8.0555 -6.9778 -6.9778 -6.9000 -6.9000 -2.0739 -2.0739 -0.2023 -0.2023 4.6229 4.6229 5.0156 5.0156 5.4539 5.4539 6.0417 6.0417 6.6147 6.6147 6.8300 6.8300 6.9119 6.9119 7.0054 7.0054 7.0546 7.0546 7.2789 7.2789 7.3904 7.3904 7.8621 7.8621 8.0353 8.0353 8.2235 8.2235 8.6410 8.6410 10.6623 10.6623 13.0798 13.0798 13.1138 13.1138 15.0362 15.0362 k = 0.5000 0.2962 0.7148 ( 3318 PWs) bands (ev): -25.1364 -25.1364 -8.0547 -8.0547 -6.9762 -6.9762 -6.9007 -6.9007 -2.0666 -2.0666 -0.2379 -0.2379 4.6539 4.6539 5.0698 5.0698 5.4337 5.4337 6.0266 6.0266 6.6032 6.6032 6.8330 6.8330 6.9110 6.9110 7.0059 7.0059 7.0506 7.0506 7.2731 7.2731 7.3893 7.3893 7.8898 7.8898 8.0448 8.0448 8.2472 8.2472 8.6995 8.6995 10.6800 10.6800 13.0512 13.0512 13.1166 13.1166 14.9734 14.9734 k = 0.5000 0.2962 0.6960 ( 3318 PWs) bands (ev): -25.1367 -25.1367 -8.0539 -8.0539 -6.9744 -6.9744 -6.9014 -6.9014 -2.0596 -2.0596 -0.2744 -0.2744 4.6871 4.6871 5.1248 5.1248 5.4125 5.4125 6.0130 6.0130 6.5908 6.5908 6.8361 6.8361 6.9086 6.9086 7.0078 7.0078 7.0475 7.0475 7.2686 7.2686 7.3883 7.3883 7.9162 7.9162 8.0582 8.0582 8.2736 8.2736 8.7603 8.7603 10.6995 10.6995 13.0140 13.0140 13.1207 13.1207 14.8694 14.8694 k = 0.5000 0.2962 0.6772 ( 3316 PWs) bands (ev): -25.1370 -25.1370 -8.0530 -8.0530 -6.9725 -6.9725 -6.9020 -6.9020 -2.0530 -2.0530 -0.3115 -0.3115 4.7223 4.7223 5.1799 5.1799 5.3907 5.3907 6.0009 6.0009 6.5776 6.5776 6.8391 6.8391 6.9048 6.9048 7.0110 7.0110 7.0457 7.0457 7.2654 7.2654 7.3874 7.3874 7.9395 7.9395 8.0773 8.0773 8.3028 8.3028 8.8231 8.8231 10.7210 10.7210 12.9697 12.9697 13.1259 13.1259 14.7186 14.7186 k = 0.5000 0.2962 0.6584 ( 3320 PWs) bands (ev): -25.1373 -25.1373 -8.0520 -8.0520 -6.9704 -6.9704 -6.9027 -6.9027 -2.0470 -2.0470 -0.3491 -0.3491 4.7595 4.7595 5.2340 5.2340 5.3691 5.3691 5.9907 5.9907 6.5636 6.5636 6.8415 6.8415 6.8996 6.8996 7.0155 7.0155 7.0457 7.0457 7.2635 7.2635 7.3866 7.3866 7.9584 7.9584 8.1031 8.1031 8.3349 8.3349 8.8878 8.8878 10.7446 10.7446 12.9196 12.9196 13.1324 13.1324 14.5582 14.5582 k = 0.5000 0.2962 0.6396 ( 3328 PWs) bands (ev): -25.1376 -25.1376 -8.0510 -8.0510 -6.9682 -6.9682 -6.9033 -6.9033 -2.0417 -2.0417 -0.3870 -0.3870 4.7987 4.7987 5.2838 5.2838 5.3509 5.3509 5.9822 5.9822 6.5489 6.5489 6.8429 6.8429 6.8934 6.8934 7.0209 7.0209 7.0477 7.0477 7.2628 7.2628 7.3860 7.3860 7.9727 7.9727 8.1356 8.1356 8.3700 8.3700 8.9544 8.9544 10.7705 10.7705 12.8652 12.8652 13.1403 13.1403 14.3931 14.3931 k = 0.5000 0.2962 0.6208 ( 3332 PWs) bands (ev): -25.1379 -25.1379 -8.0499 -8.0499 -6.9658 -6.9658 -6.9039 -6.9039 -2.0372 -2.0372 -0.4249 -0.4249 4.8399 4.8399 5.3048 5.3048 5.3609 5.3609 5.9758 5.9758 6.5337 6.5337 6.8429 6.8429 6.8866 6.8866 7.0275 7.0275 7.0519 7.0519 7.2631 7.2631 7.3857 7.3857 7.9834 7.9834 8.1737 8.1737 8.4082 8.4082 9.0227 9.0227 10.7986 10.7986 12.8079 12.8079 13.1495 13.1495 14.2250 14.2250 k = 0.5000 0.2962 0.6019 ( 3324 PWs) bands (ev): -25.1382 -25.1382 -8.0487 -8.0487 -6.9632 -6.9632 -6.9045 -6.9045 -2.0337 -2.0337 -0.4628 -0.4628 4.8829 4.8829 5.2896 5.2896 5.4062 5.4062 5.9712 5.9712 6.5180 6.5180 6.8409 6.8409 6.8797 6.8797 7.0354 7.0354 7.0581 7.0581 7.2645 7.2645 7.3858 7.3858 7.9916 7.9916 8.2160 8.2160 8.4494 8.4494 9.0928 9.0928 10.8292 10.8292 12.7490 12.7490 13.1602 13.1602 14.0549 14.0549 k = 0.5000 0.2962 0.5831 ( 3338 PWs) bands (ev): -25.1386 -25.1386 -8.0474 -8.0474 -6.9604 -6.9604 -6.9050 -6.9050 -2.0311 -2.0311 -0.5004 -0.5004 4.9277 4.9277 5.2690 5.2690 5.4559 5.4559 5.9686 5.9686 6.5019 6.5019 6.8365 6.8365 6.8731 6.8731 7.0450 7.0450 7.0658 7.0658 7.2667 7.2667 7.3864 7.3864 7.9979 7.9979 8.2613 8.2613 8.4935 8.4935 9.1643 9.1643 10.8623 10.8623 12.6895 12.6895 13.1722 13.1722 13.8838 13.8838 k = 0.5000 0.2962 0.5643 ( 3334 PWs) bands (ev): -25.1389 -25.1389 -8.0460 -8.0460 -6.9575 -6.9575 -6.9055 -6.9055 -2.0297 -2.0297 -0.5376 -0.5376 4.9741 4.9741 5.2485 5.2485 5.5050 5.5050 5.9679 5.9679 6.4857 6.4857 6.8297 6.8297 6.8670 6.8670 7.0566 7.0566 7.0748 7.0748 7.2696 7.2696 7.3875 7.3875 8.0033 8.0033 8.3089 8.3089 8.5405 8.5405 9.2374 9.2374 10.8980 10.8980 12.6304 12.6304 13.1851 13.1851 13.7128 13.7128 k = 0.5000 0.2962 0.5455 ( 3332 PWs) bands (ev): -25.1392 -25.1392 -8.0446 -8.0446 -6.9544 -6.9544 -6.9059 -6.9059 -2.0295 -2.0295 -0.5743 -0.5743 5.0220 5.0220 5.2289 5.2289 5.5525 5.5525 5.9692 5.9692 6.4693 6.4693 6.8209 6.8209 6.8612 6.8612 7.0703 7.0703 7.0846 7.0846 7.2732 7.2732 7.3893 7.3893 8.0078 8.0078 8.3581 8.3581 8.5901 8.5901 9.3118 9.3118 10.9362 10.9362 12.5726 12.5726 13.1975 13.1975 13.5442 13.5442 k = 0.5000 0.2962 0.5267 ( 3326 PWs) bands (ev): -25.1396 -25.1396 -8.0431 -8.0431 -6.9511 -6.9511 -6.9062 -6.9062 -2.0305 -2.0305 -0.6103 -0.6103 5.0710 5.0710 5.2111 5.2111 5.5981 5.5981 5.9725 5.9725 6.4528 6.4528 6.8108 6.8108 6.8553 6.8553 7.0860 7.0860 7.0950 7.0950 7.2773 7.2773 7.3919 7.3919 8.0117 8.0117 8.4084 8.4084 8.6421 8.6421 9.3876 9.3876 10.9770 10.9770 12.5169 12.5169 13.2016 13.2016 13.3862 13.3862 k = 0.5000 0.2962 0.5079 ( 3330 PWs) bands (ev): -25.1399 -25.1399 -8.0416 -8.0416 -6.9478 -6.9478 -6.9065 -6.9065 -2.0328 -2.0328 -0.6456 -0.6456 5.1192 5.1192 5.1970 5.1970 5.6415 5.6415 5.9776 5.9776 6.4364 6.4364 6.7997 6.7997 6.8490 6.8490 7.1031 7.1031 7.1064 7.1064 7.2818 7.2818 7.3954 7.3954 8.0152 8.0152 8.4592 8.4592 8.6963 8.6963 9.4645 9.4645 11.0202 11.0202 12.4638 12.4638 13.1441 13.1441 13.2929 13.2929 k = 0.5000 0.2962 0.4891 ( 3330 PWs) bands (ev): -25.1403 -25.1403 -8.0400 -8.0400 -6.9443 -6.9443 -6.9066 -6.9066 -2.0363 -2.0363 -0.6801 -0.6801 5.1540 5.1540 5.1993 5.1993 5.6828 5.6828 5.9847 5.9847 6.4201 6.4201 6.7880 6.7880 6.8422 6.8422 7.1156 7.1156 7.1243 7.1243 7.2867 7.2867 7.4000 7.4000 8.0183 8.0183 8.5102 8.5102 8.7523 8.7523 9.5426 9.5426 11.0656 11.0656 12.4141 12.4141 12.9983 12.9983 13.2913 13.2913 k = 0.5000 0.2962 0.4703 ( 3332 PWs) bands (ev): -25.1406 -25.1406 -8.0383 -8.0383 -6.9408 -6.9408 -6.9066 -6.9066 -2.0411 -2.0411 -0.7137 -0.7137 5.1530 5.1530 5.2404 5.2404 5.7217 5.7217 5.9936 5.9936 6.4040 6.4040 6.7760 6.7760 6.8349 6.8349 7.1261 7.1261 7.1457 7.1457 7.2920 7.2920 7.4056 7.4056 8.0211 8.0211 8.5609 8.5609 8.8097 8.8097 9.6217 9.6217 11.1129 11.1129 12.3681 12.3681 12.8353 12.8353 13.3108 13.3108 k = 0.5000 0.2962 0.4515 ( 3336 PWs) bands (ev): -25.1410 -25.1410 -8.0366 -8.0366 -6.9372 -6.9372 -6.9064 -6.9064 -2.0472 -2.0472 -0.7462 -0.7462 5.1430 5.1430 5.2934 5.2934 5.7585 5.7585 6.0043 6.0043 6.3882 6.3882 6.7640 6.7640 6.8270 6.8270 7.1359 7.1359 7.1690 7.1690 7.2979 7.2979 7.4125 7.4125 8.0235 8.0235 8.6109 8.6109 8.8682 8.8682 9.7016 9.7016 11.1617 11.1617 12.3262 12.3262 12.6705 12.6705 13.3364 13.3364 k = 0.5000 0.2962 0.4326 ( 3332 PWs) bands (ev): -25.1413 -25.1413 -8.0349 -8.0349 -6.9337 -6.9337 -6.9060 -6.9060 -2.0545 -2.0545 -0.7778 -0.7778 5.1328 5.1328 5.3492 5.3492 5.7930 5.7930 6.0170 6.0170 6.3727 6.3727 6.7521 6.7521 6.8186 6.8186 7.1450 7.1450 7.1938 7.1938 7.3046 7.3046 7.4206 7.4206 8.0256 8.0256 8.6599 8.6599 8.9275 8.9275 9.7823 9.7823 11.2112 11.2112 12.2883 12.2883 12.5069 12.5069 13.3654 13.3654 k = 0.5000 0.2962 0.4138 ( 3332 PWs) bands (ev): -25.1417 -25.1417 -8.0332 -8.0332 -6.9303 -6.9303 -6.9053 -6.9053 -2.0629 -2.0629 -0.8082 -0.8082 5.1238 5.1238 5.4066 5.4066 5.8255 5.8255 6.0314 6.0314 6.3576 6.3576 6.7403 6.7403 6.8097 6.8097 7.1529 7.1529 7.2201 7.2201 7.3120 7.3120 7.4299 7.4299 8.0275 8.0275 8.7073 8.7073 8.9871 8.9871 9.8636 9.8636 11.2606 11.2606 12.2533 12.2533 12.3468 12.3468 13.3966 13.3966 k = 0.5000 0.2962 0.3950 ( 3332 PWs) bands (ev): -25.1420 -25.1420 -8.0314 -8.0314 -6.9272 -6.9272 -6.9042 -6.9042 -2.0723 -2.0723 -0.8374 -0.8374 5.1160 5.1160 5.4650 5.4650 5.8559 5.8559 6.0475 6.0475 6.3429 6.3429 6.7287 6.7287 6.8004 6.8004 7.1595 7.1595 7.2474 7.2474 7.3207 7.3207 7.4405 7.4405 8.0291 8.0291 8.7528 8.7528 9.0466 9.0466 9.9453 9.9453 11.3088 11.3088 12.1775 12.1775 12.2341 12.2341 13.4223 13.4223 k = 0.5000 0.2962 0.3762 ( 3336 PWs) bands (ev): -25.1424 -25.1424 -8.0296 -8.0296 -6.9245 -6.9245 -6.9026 -6.9026 -2.0827 -2.0827 -0.8655 -0.8655 5.1094 5.1094 5.5241 5.5241 5.8845 5.8845 6.0653 6.0653 6.3288 6.3288 6.7173 6.7173 6.7906 6.7906 7.1646 7.1646 7.2755 7.2755 7.3309 7.3309 7.4524 7.4524 8.0304 8.0304 8.7960 8.7960 9.1058 9.1058 10.0273 10.0273 11.3545 11.3545 12.0252 12.0252 12.2042 12.2042 13.3603 13.3603 k = 0.5000 0.2962 0.3574 ( 3338 PWs) bands (ev): -25.1427 -25.1427 -8.0278 -8.0278 -6.9222 -6.9222 -6.9004 -6.9004 -2.0940 -2.0940 -0.8923 -0.8923 5.1041 5.1041 5.5838 5.5838 5.9112 5.9112 6.0846 6.0846 6.3152 6.3152 6.7064 6.7064 6.7804 6.7804 7.1681 7.1681 7.3036 7.3036 7.3431 7.3431 7.4658 7.4658 8.0313 8.0313 8.8366 8.8366 9.1644 9.1644 10.1094 10.1094 11.3960 11.3960 11.8726 11.8726 12.1802 12.1802 13.2544 13.2544 k = 0.5000 0.2962 0.3386 ( 3336 PWs) bands (ev): -25.1430 -25.1430 -8.0261 -8.0261 -6.9205 -6.9205 -6.8977 -6.8977 -2.1060 -2.1060 -0.9178 -0.9178 5.0998 5.0998 5.6437 5.6437 5.9364 5.9364 6.1052 6.1052 6.3022 6.3022 6.6960 6.6960 6.7699 6.7699 7.1700 7.1700 7.3299 7.3299 7.3590 7.3590 7.4807 7.4807 8.0318 8.0318 8.8743 8.8743 9.2221 9.2221 10.1913 10.1913 11.4314 11.4314 11.7236 11.7236 12.1569 12.1569 13.1532 13.1532 k = 0.5000 0.2962 0.3198 ( 3338 PWs) bands (ev): -25.1433 -25.1433 -8.0243 -8.0243 -6.9192 -6.9192 -6.8945 -6.8945 -2.1185 -2.1185 -0.9420 -0.9420 5.0965 5.0965 5.7037 5.7037 5.9600 5.9600 6.1271 6.1271 6.2898 6.2898 6.6860 6.6860 6.7592 6.7592 7.1704 7.1704 7.3512 7.3512 7.3813 7.3813 7.4975 7.4975 8.0319 8.0319 8.9087 8.9087 9.2786 9.2786 10.2727 10.2727 11.4571 11.4571 11.5809 11.5809 12.1311 12.1311 13.0633 13.0633 k = 0.5000 0.2962 0.3010 ( 3342 PWs) bands (ev): -25.1436 -25.1436 -8.0226 -8.0226 -6.9182 -6.9182 -6.8909 -6.8909 -2.1315 -2.1315 -0.9649 -0.9649 5.0941 5.0941 5.7633 5.7633 5.9822 5.9822 6.1499 6.1499 6.2780 6.2780 6.6765 6.6765 6.7481 6.7481 7.1692 7.1692 7.3679 7.3679 7.4090 7.4090 7.5165 7.5165 8.0316 8.0316 8.9399 8.9399 9.3338 9.3338 10.3534 10.3534 11.4217 11.4217 11.4950 11.4950 12.0991 12.0991 12.9900 12.9900 k = 0.5000 0.2962 0.2822 ( 3342 PWs) bands (ev): -25.1439 -25.1439 -8.0210 -8.0210 -6.9175 -6.9175 -6.8871 -6.8871 -2.1448 -2.1448 -0.9865 -0.9865 5.0923 5.0923 5.8224 5.8224 6.0032 6.0032 6.1734 6.1734 6.2672 6.2672 6.6675 6.6675 6.7370 6.7370 7.1669 7.1669 7.3825 7.3825 7.4385 7.4385 7.5380 7.5380 8.0308 8.0308 8.9676 8.9676 9.3876 9.3876 10.4330 10.4330 11.2919 11.2919 11.4987 11.4987 12.0573 12.0573 12.9381 12.9381 k = 0.5000 0.2962 0.2634 ( 3352 PWs) bands (ev): -25.1442 -25.1442 -8.0194 -8.0194 -6.9170 -6.9170 -6.8831 -6.8831 -2.1581 -2.1581 -1.0067 -1.0067 5.0911 5.0911 5.8804 5.8804 6.0229 6.0229 6.1970 6.1970 6.2575 6.2575 6.6590 6.6590 6.7256 6.7256 7.1634 7.1634 7.3963 7.3963 7.4680 7.4680 7.5623 7.5623 8.0294 8.0294 8.9918 8.9918 9.4397 9.4397 10.5112 10.5112 11.1606 11.1606 11.4991 11.4991 12.0033 12.0033 12.9108 12.9108 k = 0.5000 0.2962 0.2445 ( 3348 PWs) bands (ev): -25.1445 -25.1445 -8.0178 -8.0178 -6.9166 -6.9166 -6.8792 -6.8792 -2.1714 -2.1714 -1.0255 -1.0255 5.0905 5.0905 5.9371 5.9371 6.0417 6.0417 6.2189 6.2189 6.2506 6.2506 6.6513 6.6513 6.7143 6.7143 7.1589 7.1589 7.4096 7.4096 7.4970 7.4970 7.5898 7.5898 8.0274 8.0274 9.0127 9.0127 9.4901 9.4901 10.5874 10.5874 11.0340 11.0340 11.4913 11.4913 11.9372 11.9372 12.9090 12.9090 k = 0.5000 0.2962 0.2257 ( 3344 PWs) bands (ev): -25.1447 -25.1447 -8.0164 -8.0164 -6.9163 -6.9163 -6.8753 -6.8753 -2.1846 -2.1846 -1.0430 -1.0430 5.0902 5.0902 5.9917 5.9917 6.0596 6.0596 6.2293 6.2293 6.2563 6.2563 6.6441 6.6441 6.7030 6.7030 7.1535 7.1535 7.4220 7.4220 7.5251 7.5251 7.6199 7.6199 8.0247 8.0247 9.0303 9.0303 9.5386 9.5386 10.6611 10.6611 10.9130 10.9130 11.4756 11.4756 11.8613 11.8613 12.9311 12.9311 k = 0.5000 0.2962 0.2069 ( 3346 PWs) bands (ev): -25.1449 -25.1449 -8.0150 -8.0150 -6.9160 -6.9160 -6.8715 -6.8715 -2.1973 -2.1973 -1.0591 -1.0591 5.0901 5.0901 6.0429 6.0429 6.0774 6.0774 6.2253 6.2253 6.2772 6.2772 6.6376 6.6376 6.6919 6.6919 7.1474 7.1474 7.4337 7.4337 7.5525 7.5525 7.6520 7.6520 8.0212 8.0212 9.0449 9.0449 9.5851 9.5851 10.7295 10.7295 10.8006 10.8006 11.4533 11.4533 11.7790 11.7790 12.9742 12.9742 k = 0.5000 0.2962 0.1881 ( 3346 PWs) bands (ev): -25.1452 -25.1452 -8.0137 -8.0137 -6.9158 -6.9158 -6.8678 -6.8678 -2.2095 -2.2095 -1.0738 -1.0738 5.0903 5.0903 6.0827 6.0827 6.1026 6.1026 6.2191 6.2191 6.3008 6.3008 6.6318 6.6318 6.6811 6.6811 7.1406 7.1406 7.4445 7.4445 7.5798 7.5798 7.6853 7.6853 8.0170 8.0170 9.0567 9.0567 9.6293 9.6293 10.6859 10.6859 10.8035 10.8035 11.4260 11.4260 11.6939 11.6939 13.0354 13.0354 k = 0.5000 0.2962 0.1693 ( 3342 PWs) bands (ev): -25.1454 -25.1454 -8.0125 -8.0125 -6.9156 -6.9156 -6.8644 -6.8644 -2.2211 -2.2211 -1.0871 -1.0871 5.0907 5.0907 6.1014 6.1014 6.1440 6.1440 6.2133 6.2133 6.3246 6.3246 6.6268 6.6268 6.6707 6.6707 7.1334 7.1334 7.4543 7.4543 7.6070 7.6070 7.7188 7.7188 8.0119 8.0119 9.0660 9.0660 9.6712 9.6712 10.5860 10.5860 10.8658 10.8658 11.3955 11.3955 11.6091 11.6091 13.1119 13.1119 k = 0.5000 0.2962 0.1505 ( 3346 PWs) bands (ev): -25.1455 -25.1455 -8.0114 -8.0114 -6.9155 -6.9155 -6.8612 -6.8612 -2.2319 -2.2319 -1.0990 -1.0990 5.0911 5.0911 6.1150 6.1150 6.1839 6.1839 6.2096 6.2096 6.3480 6.3480 6.6224 6.6224 6.6608 6.6608 7.1259 7.1259 7.4632 7.4632 7.6343 7.6343 7.7515 7.7515 8.0059 8.0059 9.0732 9.0732 9.7103 9.7103 10.4930 10.4930 10.9242 10.9242 11.3636 11.3636 11.5273 11.5273 13.2015 13.2015 k = 0.5000 0.2962 0.1317 ( 3346 PWs) bands (ev): -25.1457 -25.1457 -8.0104 -8.0104 -6.9154 -6.9154 -6.8583 -6.8583 -2.2417 -2.2417 -1.1095 -1.1095 5.0916 5.0916 6.1265 6.1265 6.2004 6.2004 6.2261 6.2261 6.3706 6.3706 6.6189 6.6189 6.6516 6.6516 7.1182 7.1182 7.4710 7.4710 7.6618 7.6618 7.7824 7.7824 7.9992 7.9992 9.0786 9.0786 9.7465 9.7465 10.4085 10.4085 10.9770 10.9770 11.3318 11.3318 11.4507 11.4507 13.3025 13.3025 k = 0.5000 0.2962 0.1129 ( 3346 PWs) bands (ev): -25.1458 -25.1458 -8.0095 -8.0095 -6.9152 -6.9152 -6.8557 -6.8557 -2.2504 -2.2504 -1.1186 -1.1186 5.0921 5.0921 6.1362 6.1362 6.1986 6.1986 6.2570 6.2570 6.3922 6.3922 6.6162 6.6162 6.6434 6.6434 7.1107 7.1107 7.4777 7.4777 7.6893 7.6893 7.8101 7.8101 7.9920 7.9920 9.0825 9.0825 9.7793 9.7793 10.3332 10.3332 11.0228 11.0228 11.3021 11.3021 11.3811 11.3811 13.4131 13.4131 k = 0.5000 0.2962 0.0941 ( 3346 PWs) bands (ev): -25.1459 -25.1459 -8.0088 -8.0088 -6.9152 -6.9152 -6.8535 -6.8535 -2.2580 -2.2580 -1.1263 -1.1263 5.0925 5.0925 6.1438 6.1438 6.1970 6.1970 6.2836 6.2836 6.4122 6.4122 6.6142 6.6142 6.6361 6.6361 7.1035 7.1035 7.4835 7.4835 7.7164 7.7164 7.8335 7.8335 7.9848 7.9848 9.0852 9.0852 9.8083 9.8083 10.2679 10.2679 11.0602 11.0602 11.2759 11.2759 11.3209 11.3209 13.5315 13.5315 k = 0.5000 0.2962 0.0752 ( 3346 PWs) bands (ev): -25.1460 -25.1460 -8.0082 -8.0082 -6.9151 -6.9151 -6.8516 -6.8516 -2.2644 -2.2644 -1.1326 -1.1326 5.0929 5.0929 6.1493 6.1493 6.1964 6.1964 6.3049 6.3049 6.4298 6.4298 6.6131 6.6131 6.6301 6.6301 7.0969 7.0969 7.4882 7.4882 7.7430 7.7430 7.8509 7.8509 7.9785 7.9785 9.0869 9.0869 9.8330 9.8330 10.2134 10.2134 11.0874 11.0874 11.2523 11.2523 11.2744 11.2744 13.6556 13.6556 k = 0.5000 0.2962 0.0564 ( 3346 PWs) bands (ev): -25.1461 -25.1461 -8.0077 -8.0077 -6.9150 -6.9150 -6.8502 -6.8502 -2.2694 -2.2694 -1.1375 -1.1375 5.0932 5.0932 6.1530 6.1530 6.1968 6.1968 6.3211 6.3211 6.4444 6.4444 6.6126 6.6126 6.6254 6.6254 7.0913 7.0913 7.4920 7.4920 7.7683 7.7683 7.8605 7.8605 7.9741 7.9741 9.0881 9.0881 9.8529 9.8529 10.1701 10.1701 11.1030 11.1030 11.2227 11.2227 11.2532 11.2532 13.7816 13.7816 k = 0.5000 0.2962 0.0376 ( 3346 PWs) bands (ev): -25.1462 -25.1462 -8.0073 -8.0073 -6.9150 -6.9150 -6.8491 -6.8491 -2.2730 -2.2730 -1.1410 -1.1410 5.0935 5.0935 6.1551 6.1551 6.1977 6.1977 6.3323 6.3323 6.4553 6.4553 6.6125 6.6125 6.6219 6.6219 7.0871 7.0871 7.4947 7.4947 7.7915 7.7915 7.8617 7.8617 7.9723 7.9723 9.0887 9.0887 9.8675 9.8675 10.1388 10.1388 11.1081 11.1081 11.1968 11.1968 11.2480 11.2480 13.9023 13.9023 k = 0.5000 0.2962 0.0188 ( 3350 PWs) bands (ev): -25.1462 -25.1462 -8.0071 -8.0071 -6.9150 -6.9150 -6.8485 -6.8485 -2.2752 -2.2752 -1.1431 -1.1431 5.0936 5.0936 6.1561 6.1561 6.1985 6.1985 6.3389 6.3389 6.4620 6.4620 6.6126 6.6126 6.6198 6.6198 7.0844 7.0844 7.4962 7.4962 7.8110 7.8110 7.8562 7.8562 7.9721 7.9721 9.0890 9.0890 9.8765 9.8765 10.1198 10.1198 11.1076 11.1076 11.1814 11.1814 11.2478 11.2478 13.9996 13.9996 k = 0.5000 0.2962 0.0000 ( 3332 PWs) bands (ev): -25.1462 -25.1462 -8.0071 -8.0071 -6.9149 -6.9149 -6.8482 -6.8482 -2.2759 -2.2759 -1.1438 -1.1438 5.0938 5.0938 6.1565 6.1565 6.1989 6.1989 6.3411 6.3411 6.4642 6.4642 6.6128 6.6128 6.6192 6.6192 7.0835 7.0835 7.4968 7.4968 7.8206 7.8206 7.8512 7.8512 7.9723 7.9723 9.0892 9.0892 9.8795 9.8795 10.1134 10.1134 11.1067 11.1067 11.1765 11.1765 11.2483 11.2483 14.0348 14.0348 k = 0.0000 0.0000 0.9810 ( 3324 PWs) bands (ev): -25.1345 -25.1345 -8.0599 -8.0599 -6.9867 -6.9867 -6.8945 -6.8945 -2.1392 -2.1392 0.0677 0.0677 4.4224 4.4224 4.5956 4.5956 5.5767 5.5767 6.2025 6.2025 6.6827 6.6827 6.8214 6.8214 6.8874 6.8874 7.0318 7.0318 7.0943 7.0943 7.3946 7.3946 7.3965 7.3965 7.6656 7.6656 8.0143 8.0143 8.0836 8.0836 8.2003 8.2003 10.5632 10.5632 12.9632 12.9632 13.1107 13.1107 15.2691 15.2691 k = 0.0156 0.0093 0.9810 ( 3324 PWs) bands (ev): -25.1345 -25.1345 -8.0599 -8.0599 -6.9867 -6.9867 -6.8945 -6.8945 -2.1392 -2.1392 0.0676 0.0676 4.4228 4.4228 4.5950 4.5950 5.5774 5.5774 6.2039 6.2039 6.6817 6.6817 6.8212 6.8212 6.8879 6.8879 7.0317 7.0317 7.0943 7.0943 7.3945 7.3945 7.3967 7.3967 7.6661 7.6661 8.0136 8.0136 8.0836 8.0836 8.1994 8.1994 10.5573 10.5573 12.9743 12.9743 13.1163 13.1163 15.2688 15.2688 k = 0.0312 0.0185 0.9810 ( 3310 PWs) bands (ev): -25.1345 -25.1345 -8.0598 -8.0598 -6.9867 -6.9867 -6.8945 -6.8945 -2.1391 -2.1391 0.0672 0.0672 4.4237 4.4237 4.5934 4.5934 5.5793 5.5793 6.2080 6.2080 6.6788 6.6788 6.8206 6.8206 6.8891 6.8891 7.0316 7.0316 7.0945 7.0945 7.3942 7.3942 7.3972 7.3972 7.6677 7.6677 8.0113 8.0113 8.0836 8.0836 8.1970 8.1970 10.5400 10.5400 13.0071 13.0071 13.1331 13.1331 15.2678 15.2678 k = 0.0469 0.0278 0.9810 ( 3314 PWs) bands (ev): -25.1345 -25.1345 -8.0598 -8.0598 -6.9867 -6.9867 -6.8945 -6.8945 -2.1389 -2.1389 0.0666 0.0666 4.4254 4.4254 4.5908 4.5908 5.5825 5.5825 6.2148 6.2148 6.6739 6.6739 6.8197 6.8197 6.8909 6.8909 7.0312 7.0312 7.0946 7.0946 7.3937 7.3937 7.3976 7.3976 7.6703 7.6703 8.0075 8.0075 8.0836 8.0836 8.1930 8.1930 10.5125 10.5125 13.0604 13.0604 13.1609 13.1609 15.2659 15.2659 k = 0.0625 0.0370 0.9810 ( 3302 PWs) bands (ev): -25.1345 -25.1345 -8.0598 -8.0598 -6.9867 -6.9867 -6.8945 -6.8945 -2.1386 -2.1386 0.0659 0.0659 4.4276 4.4276 4.5872 4.5872 5.5869 5.5869 6.2240 6.2240 6.6672 6.6672 6.8186 6.8186 6.8935 6.8935 7.0308 7.0308 7.0949 7.0949 7.3934 7.3934 7.3982 7.3982 7.6739 7.6739 8.0020 8.0020 8.0835 8.0835 8.1880 8.1880 10.4769 10.4769 13.1321 13.1321 13.1996 13.1996 15.2627 15.2627 k = 0.0781 0.0463 0.9810 ( 3302 PWs) bands (ev): -25.1345 -25.1345 -8.0598 -8.0598 -6.9867 -6.9867 -6.8945 -6.8945 -2.1383 -2.1383 0.0649 0.0649 4.4305 4.4305 4.5827 4.5827 5.5922 5.5922 6.2357 6.2357 6.6586 6.6586 6.8174 6.8174 6.8964 6.8964 7.0301 7.0301 7.0951 7.0951 7.3930 7.3930 7.3987 7.3987 7.6786 7.6786 7.9947 7.9947 8.0834 8.0834 8.1821 8.1821 10.4351 10.4351 13.2198 13.2198 13.2492 13.2492 15.2575 15.2575 k = 0.0938 0.0555 0.9810 ( 3316 PWs) bands (ev): -25.1345 -25.1345 -8.0599 -8.0599 -6.9867 -6.9867 -6.8945 -6.8945 -2.1380 -2.1380 0.0638 0.0638 4.4341 4.4341 4.5773 4.5773 5.5982 5.5982 6.2497 6.2497 6.6482 6.6482 6.8160 6.8160 6.8995 6.8995 7.0292 7.0292 7.0954 7.0954 7.3925 7.3925 7.3991 7.3991 7.6844 7.6844 7.9855 7.9855 8.0833 8.0833 8.1759 8.1759 10.3894 10.3894 13.3062 13.3062 13.3244 13.3244 15.2494 15.2494 k = 0.1094 0.0648 0.9810 ( 3314 PWs) bands (ev): -25.1345 -25.1345 -8.0598 -8.0598 -6.9867 -6.9867 -6.8945 -6.8945 -2.1376 -2.1376 0.0627 0.0627 4.4382 4.4382 4.5712 4.5712 5.6049 5.6049 6.2656 6.2656 6.6361 6.6361 6.8147 6.8147 6.9029 6.9029 7.0283 7.0283 7.0958 7.0958 7.3921 7.3921 7.3995 7.3995 7.6912 7.6912 7.9745 7.9745 8.0832 8.0832 8.1697 8.1697 10.3420 10.3420 13.3763 13.3763 13.4373 13.4373 15.2372 15.2372 k = 0.1250 0.0741 0.9810 ( 3324 PWs) bands (ev): -25.1345 -25.1345 -8.0599 -8.0599 -6.9867 -6.9867 -6.8945 -6.8945 -2.1372 -2.1372 0.0615 0.0615 4.4429 4.4429 4.5645 4.5645 5.6118 5.6118 6.2834 6.2834 6.6224 6.6224 6.8135 6.8135 6.9061 6.9061 7.0273 7.0273 7.0961 7.0961 7.3916 7.3916 7.3998 7.3998 7.6991 7.6991 7.9617 7.9617 8.0831 8.0831 8.1638 8.1638 10.2948 10.2948 13.4550 13.4550 13.5607 13.5607 15.2195 15.2195 k = 0.1406 0.0833 0.9810 ( 3326 PWs) bands (ev): -25.1345 -25.1345 -8.0599 -8.0599 -6.9867 -6.9867 -6.8945 -6.8945 -2.1368 -2.1368 0.0603 0.0603 4.4481 4.4481 4.5572 4.5572 5.6188 5.6188 6.3027 6.3027 6.6072 6.6072 6.8123 6.8123 6.9093 6.9093 7.0263 7.0263 7.0965 7.0965 7.3912 7.3912 7.4002 7.4002 7.7081 7.7081 7.9473 7.9473 8.0830 8.0830 8.1585 8.1585 10.2495 10.2495 13.5424 13.5424 13.6918 13.6918 15.1943 15.1943 k = 0.1562 0.0926 0.9810 ( 3326 PWs) bands (ev): -25.1345 -25.1345 -8.0599 -8.0599 -6.9867 -6.9867 -6.8945 -6.8945 -2.1365 -2.1365 0.0591 0.0591 4.4539 4.4539 4.5494 4.5494 5.6256 5.6256 6.3233 6.3233 6.5906 6.5906 6.8113 6.8113 6.9123 6.9123 7.0253 7.0253 7.0969 7.0969 7.3909 7.3909 7.4005 7.4005 7.7180 7.7180 7.9317 7.9317 8.0829 8.0829 8.1539 8.1539 10.2074 10.2074 13.6382 13.6382 13.8288 13.8288 15.1585 15.1585 k = 0.1719 0.1018 0.9810 ( 3326 PWs) bands (ev): -25.1345 -25.1345 -8.0599 -8.0599 -6.9867 -6.9867 -6.8946 -6.8946 -2.1361 -2.1361 0.0580 0.0580 4.4602 4.4602 4.5414 4.5414 5.6319 5.6319 6.3448 6.3448 6.5728 6.5728 6.8104 6.8104 6.9150 6.9150 7.0243 7.0243 7.0973 7.0973 7.3906 7.3906 7.4008 7.4008 7.7289 7.7289 7.9152 7.9152 8.0828 8.0828 8.1501 8.1501 10.1699 10.1699 13.7418 13.7418 13.9695 13.9695 15.0788 15.0788 k = 0.1875 0.1111 0.9810 ( 3330 PWs) bands (ev): -25.1345 -25.1345 -8.0599 -8.0599 -6.9867 -6.9867 -6.8946 -6.8946 -2.1358 -2.1358 0.0571 0.0571 4.4669 4.4669 4.5331 4.5331 5.6374 5.6374 6.3670 6.3670 6.5539 6.5539 6.8097 6.8097 6.9173 6.9173 7.0235 7.0235 7.0976 7.0976 7.3904 7.3904 7.4010 7.4010 7.7404 7.7404 7.8985 7.8985 8.0827 8.0827 8.1470 8.1470 10.1379 10.1379 13.8527 13.8527 14.1123 14.1123 14.9354 14.9354 k = 0.2031 0.1203 0.9810 ( 3334 PWs) bands (ev): -25.1345 -25.1345 -8.0599 -8.0599 -6.9867 -6.9867 -6.8946 -6.8946 -2.1356 -2.1356 0.0563 0.0563 4.4740 4.4740 4.5247 4.5247 5.6420 5.6420 6.3893 6.3893 6.5343 6.5343 6.8090 6.8090 6.9192 6.9192 7.0227 7.0227 7.0978 7.0978 7.3902 7.3902 7.4012 7.4012 7.7522 7.7522 7.8822 7.8822 8.0826 8.0826 8.1447 8.1447 10.1122 10.1122 13.9704 13.9704 14.2547 14.2547 14.7893 14.7893 k = 0.2188 0.1296 0.9810 ( 3346 PWs) bands (ev): -25.1345 -25.1345 -8.0599 -8.0599 -6.9867 -6.9867 -6.8946 -6.8946 -2.1354 -2.1354 0.0557 0.0557 4.4814 4.4814 4.5163 4.5163 5.6454 5.6454 6.4111 6.4111 6.5144 6.5144 6.8086 6.8086 6.9206 6.9206 7.0221 7.0221 7.0980 7.0980 7.3900 7.3900 7.4012 7.4012 7.7634 7.7634 7.8676 7.8676 8.0825 8.0825 8.1430 8.1430 10.0934 10.0934 14.0942 14.0942 14.3937 14.3937 14.6454 14.6454 k = 0.2344 0.1388 0.9810 ( 3344 PWs) bands (ev): -25.1345 -25.1345 -8.0599 -8.0599 -6.9867 -6.9867 -6.8946 -6.8946 -2.1353 -2.1353 0.0554 0.0554 4.4888 4.4888 4.5083 4.5083 5.6475 5.6475 6.4304 6.4304 6.4964 6.4964 6.8083 6.8083 6.9215 6.9215 7.0217 7.0217 7.0981 7.0981 7.3900 7.3900 7.4014 7.4014 7.7722 7.7722 7.8567 7.8567 8.0825 8.0825 8.1421 8.1421 10.0820 10.0820 14.2233 14.2233 14.4862 14.4862 14.5445 14.5445 k = 0.2500 0.1481 0.9810 ( 3336 PWs) bands (ev): -25.1345 -25.1345 -8.0599 -8.0599 -6.9867 -6.9867 -6.8946 -6.8946 -2.1352 -2.1352 0.0553 0.0553 4.4940 4.4940 4.5029 4.5029 5.6482 5.6482 6.4399 6.4399 6.4873 6.4873 6.8083 6.8083 6.9218 6.9218 7.0217 7.0217 7.0982 7.0982 7.3900 7.3900 7.4014 7.4014 7.7757 7.7757 7.8525 7.8525 8.0826 8.0826 8.1418 8.1418 10.0781 10.0781 14.3444 14.3444 14.3720 14.3720 14.6294 14.6294 Writing output data file SrxCuAsx2.save init_run : 0.29s CPU 0.46s WALL ( 1 calls) electrons : 171.60s CPU 173.75s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 171.59s CPU 173.73s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.04s WALL ( 341 calls) cegterg : 152.11s CPU 153.73s WALL ( 406 calls) Called by sum_band: Called by *egterg: h_psi : 107.23s CPU 108.50s WALL ( 6602 calls) s_psi : 3.98s CPU 3.97s WALL ( 6602 calls) g_psi : 0.19s CPU 0.17s WALL ( 5855 calls) cdiaghg : 44.34s CPU 44.75s WALL ( 6196 calls) cegterg:over : 4.09s CPU 4.26s WALL ( 5855 calls) cegterg:upda : 3.39s CPU 3.36s WALL ( 5855 calls) cegterg:last : 1.97s CPU 1.95s WALL ( 1088 calls) cdiaghg:chol : 2.60s CPU 2.45s WALL ( 6196 calls) cdiaghg:inve : 1.67s CPU 1.66s WALL ( 6196 calls) cdiaghg:para : 2.58s CPU 2.62s WALL ( 12392 calls) Called by h_psi: h_psi:vloc : 98.30s CPU 99.52s WALL ( 6602 calls) h_psi:vnl : 8.82s CPU 8.82s WALL ( 6602 calls) add_vuspsi : 4.56s CPU 4.61s WALL ( 6602 calls) General routines calbec : 4.22s CPU 4.19s WALL ( 6602 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 92.76s CPU 94.01s WALL ( 735680 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.17s WALL ( 682 calls) Parallel routines fft_scatter : 28.34s CPU 28.44s WALL ( 735703 calls) PWSCF : 3m 6.49s CPU 3m29.11s WALL This run was terminated on: 19:51:21 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. 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