Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:44:32 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: ./Ca2SiO4.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 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 75 43 13 1366 597 100 Max 76 44 14 1368 614 101 Sum 2713 1577 477 49207 21821 3607 bravais-lattice index = 14 lattice parameter (alat) = 12.0024 a.u. unit-cell volume = 499.7358 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.002356 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.842562 celldm(5)= -0.842562 celldm(6)= 0.685124 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.685124 0.728427 0.000000 ) a(3) = ( -0.842562 -0.364213 0.396785 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.940552 1.260129 ) b(2) = ( 0.000000 1.372822 1.260129 ) b(3) = ( 0.000000 0.000000 2.520258 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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 Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef 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 1169 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 Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Ca 10.00 40.07800 Ca( 1.00) Si 4.00 28.08550 Si( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 382 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 2) = ( 0.0000000 0.0000000 0.0200021), wk = 0.0026178 k( 3) = ( 0.0000000 0.0000000 0.0400041), wk = 0.0026178 k( 4) = ( 0.0000000 0.0000000 0.0600061), wk = 0.0026178 k( 5) = ( 0.0000000 0.0000000 0.0800082), wk = 0.0026178 k( 6) = ( 0.0000000 0.0000000 0.1000102), wk = 0.0026178 k( 7) = ( 0.0000000 0.0000000 0.1200123), wk = 0.0026178 k( 8) = ( 0.0000000 0.0000000 0.1400143), wk = 0.0026178 k( 9) = ( 0.0000000 0.0000000 0.1600164), wk = 0.0026178 k( 10) = ( 0.0000000 0.0000000 0.1800184), wk = 0.0026178 k( 11) = ( 0.0000000 0.0000000 0.2000205), wk = 0.0026178 k( 12) = ( 0.0000000 0.0000000 0.2200225), wk = 0.0026178 k( 13) = ( 0.0000000 0.0000000 0.2400246), wk = 0.0026178 k( 14) = ( 0.0000000 0.0000000 0.2600266), wk = 0.0026178 k( 15) = ( 0.0000000 0.0000000 0.2800286), wk = 0.0026178 k( 16) = ( 0.0000000 0.0000000 0.3000307), wk = 0.0026178 k( 17) = ( 0.0000000 0.0000000 0.3200327), wk = 0.0026178 k( 18) = ( 0.0000000 0.0000000 0.3400348), wk = 0.0026178 k( 19) = ( 0.0000000 0.0000000 0.3600368), wk = 0.0026178 k( 20) = ( 0.0000000 0.0000000 0.3800389), wk = 0.0026178 k( 21) = ( 0.0000000 0.0000000 0.4000409), wk = 0.0026178 k( 22) = ( 0.0000000 0.0000000 0.4200430), wk = 0.0026178 k( 23) = ( 0.0000000 0.0000000 0.4400450), wk = 0.0026178 k( 24) = ( 0.0000000 0.0000000 0.4600471), wk = 0.0026178 k( 25) = ( 0.0000000 0.0000000 0.4800491), wk = 0.0026178 k( 26) = ( 0.0000000 0.0000000 0.5000512), wk = 0.0026178 k( 27) = ( 0.0000000 0.0000000 0.5200532), wk = 0.0026178 k( 28) = ( 0.0000000 0.0000000 0.5400552), wk = 0.0026178 k( 29) = ( 0.0000000 0.0000000 0.5600573), wk = 0.0026178 k( 30) = ( 0.0000000 0.0000000 0.5800593), wk = 0.0026178 k( 31) = ( 0.0000000 0.0000000 0.6000614), wk = 0.0026178 k( 32) = ( 0.0000000 0.0000000 0.6200634), wk = 0.0026178 k( 33) = ( 0.0000000 0.0000000 0.6400655), wk = 0.0026178 k( 34) = ( 0.0000000 0.0000000 0.6600675), wk = 0.0026178 k( 35) = ( 0.0000000 0.0000000 0.6800696), wk = 0.0026178 k( 36) = ( 0.0000000 0.0000000 0.7000716), wk = 0.0026178 k( 37) = ( 0.0000000 0.0000000 0.7200737), wk = 0.0026178 k( 38) = ( 0.0000000 0.0000000 0.7400757), wk = 0.0026178 k( 39) = ( 0.0000000 0.0000000 0.7600777), wk = 0.0026178 k( 40) = ( 0.0000000 0.0000000 0.7800798), wk = 0.0026178 k( 41) = ( 0.0000000 0.0000000 0.8000819), wk = 0.0026178 k( 42) = ( 0.0000000 0.0000000 0.8200839), wk = 0.0026178 k( 43) = ( 0.0000000 0.0000000 0.8400859), wk = 0.0026178 k( 44) = ( 0.0000000 0.0000000 0.8600880), wk = 0.0026178 k( 45) = ( 0.0000000 0.0000000 0.8800900), wk = 0.0026178 k( 46) = ( 0.0000000 0.0000000 0.9000921), wk = 0.0026178 k( 47) = ( 0.0000000 0.0000000 0.9200941), wk = 0.0026178 k( 48) = ( 0.0000000 0.0000000 0.9400962), wk = 0.0026178 k( 49) = ( 0.0000000 0.0000000 0.9600982), wk = 0.0026178 k( 50) = ( 0.0000000 0.0000000 0.9801003), wk = 0.0026178 k( 51) = ( 0.0000000 0.0000000 1.0001023), wk = 0.0026178 k( 52) = ( 0.0000000 0.0000000 1.0201043), wk = 0.0026178 k( 53) = ( 0.0000000 0.0000000 1.0401064), wk = 0.0026178 k( 54) = ( 0.0000000 0.0000000 1.0601084), wk = 0.0026178 k( 55) = ( 0.0000000 0.0000000 1.0801105), wk = 0.0026178 k( 56) = ( 0.0000000 0.0000000 1.1001125), wk = 0.0026178 k( 57) = ( 0.0000000 0.0000000 1.1201146), wk = 0.0026178 k( 58) = ( 0.0000000 0.0000000 1.1401166), wk = 0.0026178 k( 59) = ( 0.0000000 0.0000000 1.1601187), wk = 0.0026178 k( 60) = ( 0.0000000 0.0000000 1.1801207), wk = 0.0026178 k( 61) = ( 0.0000000 0.0000000 1.2001228), wk = 0.0026178 k( 62) = ( 0.0000000 0.0000000 1.2201248), wk = 0.0026178 k( 63) = ( 0.0000000 0.0000000 1.2401269), wk = 0.0026178 k( 64) = ( 0.0000000 0.0000000 1.2601289), wk = 0.0026178 k( 65) = ( 0.0000000 0.0000000 1.2601289), wk = 0.0026178 k( 66) = ( -0.0077857 0.0180112 1.2601289), wk = 0.0026178 k( 67) = ( -0.0155714 0.0360224 1.2601289), wk = 0.0026178 k( 68) = ( -0.0233571 0.0540336 1.2601289), wk = 0.0026178 k( 69) = ( -0.0311428 0.0720449 1.2601289), wk = 0.0026178 k( 70) = ( -0.0389284 0.0900560 1.2601289), wk = 0.0026178 k( 71) = ( -0.0467141 0.1080673 1.2601289), wk = 0.0026178 k( 72) = ( -0.0467141 0.1080673 1.2601289), wk = 0.0026178 k( 73) = ( -0.0523802 0.1211750 1.2458489), wk = 0.0026178 k( 74) = ( -0.0580463 0.1342828 1.2315690), wk = 0.0026178 k( 75) = ( -0.0637124 0.1473905 1.2172890), wk = 0.0026178 k( 76) = ( -0.0693784 0.1604983 1.2030091), wk = 0.0026178 k( 77) = ( -0.0750445 0.1736060 1.1887291), wk = 0.0026178 k( 78) = ( -0.0807106 0.1867137 1.1744491), wk = 0.0026178 k( 79) = ( -0.0863766 0.1998215 1.1601692), wk = 0.0026178 k( 80) = ( -0.0920427 0.2129292 1.1458892), wk = 0.0026178 k( 81) = ( -0.0977088 0.2260370 1.1316092), wk = 0.0026178 k( 82) = ( -0.1033749 0.2391447 1.1173293), wk = 0.0026178 k( 83) = ( -0.1090409 0.2522525 1.1030493), wk = 0.0026178 k( 84) = ( -0.1147070 0.2653602 1.0887693), wk = 0.0026178 k( 85) = ( -0.1203731 0.2784680 1.0744894), wk = 0.0026178 k( 86) = ( -0.1260392 0.2915757 1.0602094), wk = 0.0026178 k( 87) = ( -0.1317052 0.3046835 1.0459294), wk = 0.0026178 k( 88) = ( -0.1373713 0.3177912 1.0316495), wk = 0.0026178 k( 89) = ( -0.1430374 0.3308990 1.0173695), wk = 0.0026178 k( 90) = ( -0.1487034 0.3440067 1.0030895), wk = 0.0026178 k( 91) = ( -0.1543695 0.3571145 0.9888096), wk = 0.0026178 k( 92) = ( -0.1600356 0.3702222 0.9745296), wk = 0.0026178 k( 93) = ( -0.1657017 0.3833299 0.9602496), wk = 0.0026178 k( 94) = ( -0.1713678 0.3964377 0.9459697), wk = 0.0026178 k( 95) = ( -0.1770338 0.4095454 0.9316897), wk = 0.0026178 k( 96) = ( -0.1826999 0.4226532 0.9174097), wk = 0.0026178 k( 97) = ( -0.1883660 0.4357609 0.9031298), wk = 0.0026178 k( 98) = ( -0.1940320 0.4488687 0.8888498), wk = 0.0026178 k( 99) = ( -0.1996981 0.4619764 0.8745698), wk = 0.0026178 k( 100) = ( -0.2053642 0.4750842 0.8602899), wk = 0.0026178 k( 101) = ( -0.2110303 0.4881919 0.8460099), wk = 0.0026178 k( 102) = ( -0.2166963 0.5012997 0.8317299), wk = 0.0026178 k( 103) = ( -0.2223624 0.5144074 0.8174500), wk = 0.0026178 k( 104) = ( -0.2280285 0.5275152 0.8031700), wk = 0.0026178 k( 105) = ( -0.2336946 0.5406229 0.7888900), wk = 0.0026178 k( 106) = ( -0.2393606 0.5537307 0.7746101), wk = 0.0026178 k( 107) = ( -0.2450267 0.5668384 0.7603301), wk = 0.0026178 k( 108) = ( -0.2506928 0.5799461 0.7460501), wk = 0.0026178 k( 109) = ( -0.2563589 0.5930539 0.7317702), wk = 0.0026178 k( 110) = ( -0.2620249 0.6061616 0.7174902), wk = 0.0026178 k( 111) = ( -0.2676910 0.6192694 0.7032102), wk = 0.0026178 k( 112) = ( -0.2733571 0.6323771 0.6889303), wk = 0.0026178 k( 113) = ( -0.2733571 0.6323771 0.6889303), wk = 0.0026178 k( 114) = ( -0.2677783 0.6194715 0.6748705), wk = 0.0026178 k( 115) = ( -0.2621996 0.6065658 0.6608107), wk = 0.0026178 k( 116) = ( -0.2566209 0.5936602 0.6467509), wk = 0.0026178 k( 117) = ( -0.2510422 0.5807545 0.6326911), wk = 0.0026178 k( 118) = ( -0.2454635 0.5678489 0.6186313), wk = 0.0026178 k( 119) = ( -0.2398848 0.5549432 0.6045715), wk = 0.0026178 k( 120) = ( -0.2343061 0.5420376 0.5905117), wk = 0.0026178 k( 121) = ( -0.2287273 0.5291319 0.5764519), wk = 0.0026178 k( 122) = ( -0.2231486 0.5162262 0.5623921), wk = 0.0026178 k( 123) = ( -0.2175699 0.5033206 0.5483323), wk = 0.0026178 k( 124) = ( -0.2119912 0.4904149 0.5342725), wk = 0.0026178 k( 125) = ( -0.2064125 0.4775093 0.5202127), wk = 0.0026178 k( 126) = ( -0.2008338 0.4646036 0.5061529), wk = 0.0026178 k( 127) = ( -0.1952551 0.4516980 0.4920931), wk = 0.0026178 k( 128) = ( -0.1896763 0.4387923 0.4780333), wk = 0.0026178 k( 129) = ( -0.1840976 0.4258867 0.4639735), wk = 0.0026178 k( 130) = ( -0.1785189 0.4129810 0.4499137), wk = 0.0026178 k( 131) = ( -0.1729402 0.4000753 0.4358538), wk = 0.0026178 k( 132) = ( -0.1673615 0.3871697 0.4217941), wk = 0.0026178 k( 133) = ( -0.1617828 0.3742640 0.4077342), wk = 0.0026178 k( 134) = ( -0.1562040 0.3613584 0.3936745), wk = 0.0026178 k( 135) = ( -0.1506253 0.3484527 0.3796146), wk = 0.0026178 k( 136) = ( -0.1450466 0.3355471 0.3655549), wk = 0.0026178 k( 137) = ( -0.1394679 0.3226414 0.3514950), wk = 0.0026178 k( 138) = ( -0.1338892 0.3097358 0.3374353), wk = 0.0026178 k( 139) = ( -0.1283105 0.2968301 0.3233754), wk = 0.0026178 k( 140) = ( -0.1227317 0.2839244 0.3093156), wk = 0.0026178 k( 141) = ( -0.1171530 0.2710188 0.2952558), wk = 0.0026178 k( 142) = ( -0.1115743 0.2581131 0.2811960), wk = 0.0026178 k( 143) = ( -0.1059956 0.2452075 0.2671362), wk = 0.0026178 k( 144) = ( -0.1004169 0.2323018 0.2530764), wk = 0.0026178 k( 145) = ( -0.0948382 0.2193962 0.2390166), wk = 0.0026178 k( 146) = ( -0.0892595 0.2064905 0.2249568), wk = 0.0026178 k( 147) = ( -0.0836807 0.1935848 0.2108970), wk = 0.0026178 k( 148) = ( -0.0781020 0.1806792 0.1968372), wk = 0.0026178 k( 149) = ( -0.0725233 0.1677735 0.1827774), wk = 0.0026178 k( 150) = ( -0.0669446 0.1548679 0.1687176), wk = 0.0026178 k( 151) = ( -0.0613659 0.1419622 0.1546578), wk = 0.0026178 k( 152) = ( -0.0557872 0.1290566 0.1405980), wk = 0.0026178 k( 153) = ( -0.0502084 0.1161509 0.1265382), wk = 0.0026178 k( 154) = ( -0.0446297 0.1032453 0.1124784), wk = 0.0026178 k( 155) = ( -0.0390510 0.0903396 0.0984186), wk = 0.0026178 k( 156) = ( -0.0334723 0.0774339 0.0843588), wk = 0.0026178 k( 157) = ( -0.0278936 0.0645283 0.0702990), wk = 0.0026178 k( 158) = ( -0.0223149 0.0516226 0.0562392), wk = 0.0026178 k( 159) = ( -0.0167362 0.0387170 0.0421794), wk = 0.0026178 k( 160) = ( -0.0111574 0.0258113 0.0281196), wk = 0.0026178 k( 161) = ( -0.0055787 0.0129057 0.0140598), wk = 0.0026178 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 164) = ( 0.0185185 0.0080050 0.0000000), wk = 0.0026178 k( 165) = ( 0.0370370 0.0160100 0.0000000), wk = 0.0026178 k( 166) = ( 0.0555556 0.0240149 0.0000000), wk = 0.0026178 k( 167) = ( 0.0740741 0.0320199 0.0000000), wk = 0.0026178 k( 168) = ( 0.0925926 0.0400249 0.0000000), wk = 0.0026178 k( 169) = ( 0.1111111 0.0480299 0.0000000), wk = 0.0026178 k( 170) = ( 0.1296296 0.0560349 0.0000000), wk = 0.0026178 k( 171) = ( 0.1481482 0.0640399 0.0000000), wk = 0.0026178 k( 172) = ( 0.1666667 0.0720448 0.0000000), wk = 0.0026178 k( 173) = ( 0.1851852 0.0800498 0.0000000), wk = 0.0026178 k( 174) = ( 0.2037037 0.0880548 0.0000000), wk = 0.0026178 k( 175) = ( 0.2222222 0.0960598 0.0000000), wk = 0.0026178 k( 176) = ( 0.2407407 0.1040648 0.0000000), wk = 0.0026178 k( 177) = ( 0.2592593 0.1120698 0.0000000), wk = 0.0026178 k( 178) = ( 0.2777778 0.1200747 0.0000000), wk = 0.0026178 k( 179) = ( 0.2962963 0.1280797 0.0000000), wk = 0.0026178 k( 180) = ( 0.3148148 0.1360847 0.0000000), wk = 0.0026178 k( 181) = ( 0.3333333 0.1440897 0.0000000), wk = 0.0026178 k( 182) = ( 0.3518519 0.1520947 0.0000000), wk = 0.0026178 k( 183) = ( 0.3703704 0.1600996 0.0000000), wk = 0.0026178 k( 184) = ( 0.3888889 0.1681046 0.0000000), wk = 0.0026178 k( 185) = ( 0.4074074 0.1761096 0.0000000), wk = 0.0026178 k( 186) = ( 0.4259259 0.1841146 0.0000000), wk = 0.0026178 k( 187) = ( 0.4444444 0.1921196 0.0000000), wk = 0.0026178 k( 188) = ( 0.4629630 0.2001246 0.0000000), wk = 0.0026178 k( 189) = ( 0.4814815 0.2081295 0.0000000), wk = 0.0026178 k( 190) = ( 0.5000000 0.2161345 0.0000000), wk = 0.0026178 k( 191) = ( 0.5000000 0.2161345 0.0000000), wk = 0.0026178 k( 192) = ( 0.4943339 0.2292423 0.0142800), wk = 0.0026178 k( 193) = ( 0.4886679 0.2423500 0.0285599), wk = 0.0026178 k( 194) = ( 0.4830018 0.2554578 0.0428399), wk = 0.0026178 k( 195) = ( 0.4773357 0.2685655 0.0571199), wk = 0.0026178 k( 196) = ( 0.4716696 0.2816733 0.0713998), wk = 0.0026178 k( 197) = ( 0.4660036 0.2947810 0.0856798), wk = 0.0026178 k( 198) = ( 0.4603375 0.3078887 0.0999598), wk = 0.0026178 k( 199) = ( 0.4546714 0.3209965 0.1142397), wk = 0.0026178 k( 200) = ( 0.4490053 0.3341042 0.1285197), wk = 0.0026178 k( 201) = ( 0.4433393 0.3472120 0.1427996), wk = 0.0026178 k( 202) = ( 0.4376732 0.3603197 0.1570796), wk = 0.0026178 k( 203) = ( 0.4320071 0.3734275 0.1713596), wk = 0.0026178 k( 204) = ( 0.4263410 0.3865352 0.1856395), wk = 0.0026178 k( 205) = ( 0.4206750 0.3996430 0.1999195), wk = 0.0026178 k( 206) = ( 0.4150089 0.4127507 0.2141995), wk = 0.0026178 k( 207) = ( 0.4093428 0.4258585 0.2284794), wk = 0.0026178 k( 208) = ( 0.4036767 0.4389662 0.2427594), wk = 0.0026178 k( 209) = ( 0.3980107 0.4520740 0.2570394), wk = 0.0026178 k( 210) = ( 0.3923446 0.4651817 0.2713193), wk = 0.0026178 k( 211) = ( 0.3866785 0.4782895 0.2855993), wk = 0.0026178 k( 212) = ( 0.3810125 0.4913972 0.2998793), wk = 0.0026178 k( 213) = ( 0.3753464 0.5045050 0.3141592), wk = 0.0026178 k( 214) = ( 0.3696803 0.5176127 0.3284392), wk = 0.0026178 k( 215) = ( 0.3640142 0.5307205 0.3427192), wk = 0.0026178 k( 216) = ( 0.3583482 0.5438282 0.3569991), wk = 0.0026178 k( 217) = ( 0.3526821 0.5569360 0.3712791), wk = 0.0026178 k( 218) = ( 0.3470160 0.5700437 0.3855591), wk = 0.0026178 k( 219) = ( 0.3413500 0.5831514 0.3998390), wk = 0.0026178 k( 220) = ( 0.3356839 0.5962592 0.4141190), wk = 0.0026178 k( 221) = ( 0.3300178 0.6093669 0.4283990), wk = 0.0026178 k( 222) = ( 0.3243517 0.6224747 0.4426789), wk = 0.0026178 k( 223) = ( 0.3186856 0.6355824 0.4569589), wk = 0.0026178 k( 224) = ( 0.3130196 0.6486902 0.4712389), wk = 0.0026178 k( 225) = ( 0.3073535 0.6617979 0.4855188), wk = 0.0026178 k( 226) = ( 0.3016874 0.6749057 0.4997988), wk = 0.0026178 k( 227) = ( 0.2960214 0.6880134 0.5140788), wk = 0.0026178 k( 228) = ( 0.2903553 0.7011212 0.5283587), wk = 0.0026178 k( 229) = ( 0.2846892 0.7142289 0.5426387), wk = 0.0026178 k( 230) = ( 0.2790231 0.7273367 0.5569187), wk = 0.0026178 k( 231) = ( 0.2733571 0.7404444 0.5711986), wk = 0.0026178 k( 232) = ( 0.2733571 0.7404444 0.5711986), wk = 0.0026178 k( 233) = ( 0.2551333 0.7368422 0.5751230), wk = 0.0026178 k( 234) = ( 0.2369095 0.7332399 0.5790474), wk = 0.0026178 k( 235) = ( 0.2186857 0.7296377 0.5829718), wk = 0.0026178 k( 236) = ( 0.2004618 0.7260354 0.5868962), wk = 0.0026178 k( 237) = ( 0.1822380 0.7224332 0.5908206), wk = 0.0026178 k( 238) = ( 0.1640142 0.7188310 0.5947450), wk = 0.0026178 k( 239) = ( 0.1457904 0.7152287 0.5986693), wk = 0.0026178 k( 240) = ( 0.1275666 0.7116265 0.6025937), wk = 0.0026178 k( 241) = ( 0.1093428 0.7080242 0.6065181), wk = 0.0026178 k( 242) = ( 0.0911190 0.7044220 0.6104425), wk = 0.0026178 k( 243) = ( 0.0728952 0.7008197 0.6143669), wk = 0.0026178 k( 244) = ( 0.0546714 0.6972175 0.6182913), wk = 0.0026178 k( 245) = ( 0.0364476 0.6936153 0.6222157), wk = 0.0026178 k( 246) = ( 0.0182238 0.6900130 0.6261401), wk = 0.0026178 k( 247) = ( 0.0000000 0.6864108 0.6300645), wk = 0.0026178 k( 248) = ( 0.0000000 0.6864108 0.6300645), wk = 0.0026178 k( 249) = ( 0.0055556 0.6735587 0.6440659), wk = 0.0026178 k( 250) = ( 0.0111111 0.6607066 0.6580673), wk = 0.0026178 k( 251) = ( 0.0166667 0.6478545 0.6720688), wk = 0.0026178 k( 252) = ( 0.0222222 0.6350025 0.6860702), wk = 0.0026178 k( 253) = ( 0.0277778 0.6221504 0.7000716), wk = 0.0026178 k( 254) = ( 0.0333333 0.6092983 0.7140730), wk = 0.0026178 k( 255) = ( 0.0388889 0.5964462 0.7280745), wk = 0.0026178 k( 256) = ( 0.0444444 0.5835942 0.7420759), wk = 0.0026178 k( 257) = ( 0.0500000 0.5707421 0.7560773), wk = 0.0026178 k( 258) = ( 0.0555556 0.5578900 0.7700788), wk = 0.0026178 k( 259) = ( 0.0611111 0.5450379 0.7840802), wk = 0.0026178 k( 260) = ( 0.0666667 0.5321858 0.7980816), wk = 0.0026178 k( 261) = ( 0.0722222 0.5193338 0.8120831), wk = 0.0026178 k( 262) = ( 0.0777778 0.5064817 0.8260845), wk = 0.0026178 k( 263) = ( 0.0833333 0.4936296 0.8400859), wk = 0.0026178 k( 264) = ( 0.0888889 0.4807775 0.8540874), wk = 0.0026178 k( 265) = ( 0.0944444 0.4679255 0.8680888), wk = 0.0026178 k( 266) = ( 0.1000000 0.4550734 0.8820902), wk = 0.0026178 k( 267) = ( 0.1055556 0.4422213 0.8960917), wk = 0.0026178 k( 268) = ( 0.1111111 0.4293692 0.9100931), wk = 0.0026178 k( 269) = ( 0.1166667 0.4165171 0.9240945), wk = 0.0026178 k( 270) = ( 0.1222222 0.4036651 0.9380960), wk = 0.0026178 k( 271) = ( 0.1277778 0.3908130 0.9520974), wk = 0.0026178 k( 272) = ( 0.1333333 0.3779609 0.9660988), wk = 0.0026178 k( 273) = ( 0.1388889 0.3651088 0.9801003), wk = 0.0026178 k( 274) = ( 0.1444444 0.3522568 0.9941017), wk = 0.0026178 k( 275) = ( 0.1500000 0.3394047 1.0081031), wk = 0.0026178 k( 276) = ( 0.1555556 0.3265526 1.0221046), wk = 0.0026178 k( 277) = ( 0.1611111 0.3137005 1.0361060), wk = 0.0026178 k( 278) = ( 0.1666667 0.3008484 1.0501074), wk = 0.0026178 k( 279) = ( 0.1722222 0.2879964 1.0641088), wk = 0.0026178 k( 280) = ( 0.1777778 0.2751443 1.0781103), wk = 0.0026178 k( 281) = ( 0.1833333 0.2622922 1.0921117), wk = 0.0026178 k( 282) = ( 0.1888889 0.2494401 1.1061132), wk = 0.0026178 k( 283) = ( 0.1944444 0.2365881 1.1201146), wk = 0.0026178 k( 284) = ( 0.2000000 0.2237360 1.1341160), wk = 0.0026178 k( 285) = ( 0.2055556 0.2108839 1.1481175), wk = 0.0026178 k( 286) = ( 0.2111111 0.1980318 1.1621189), wk = 0.0026178 k( 287) = ( 0.2166667 0.1851797 1.1761203), wk = 0.0026178 k( 288) = ( 0.2222222 0.1723277 1.1901217), wk = 0.0026178 k( 289) = ( 0.2277778 0.1594756 1.2041232), wk = 0.0026178 k( 290) = ( 0.2333333 0.1466235 1.2181246), wk = 0.0026178 k( 291) = ( 0.2388889 0.1337714 1.2321260), wk = 0.0026178 k( 292) = ( 0.2444444 0.1209194 1.2461275), wk = 0.0026178 k( 293) = ( 0.2500000 0.1080673 1.2601289), wk = 0.0026178 k( 294) = ( 0.2500000 0.1080673 1.2601289), wk = 0.0026178 k( 295) = ( 0.2666667 0.1152717 1.2522801), wk = 0.0026178 k( 296) = ( 0.2833333 0.1224762 1.2444314), wk = 0.0026178 k( 297) = ( 0.3000000 0.1296807 1.2365826), wk = 0.0026178 k( 298) = ( 0.3166667 0.1368852 1.2287338), wk = 0.0026178 k( 299) = ( 0.3333333 0.1440897 1.2208850), wk = 0.0026178 k( 300) = ( 0.3500000 0.1512942 1.2130363), wk = 0.0026178 k( 301) = ( 0.3666667 0.1584987 1.2051875), wk = 0.0026178 k( 302) = ( 0.3833333 0.1657031 1.1973387), wk = 0.0026178 k( 303) = ( 0.4000000 0.1729076 1.1894899), wk = 0.0026178 k( 304) = ( 0.4166667 0.1801121 1.1816411), wk = 0.0026178 k( 305) = ( 0.4333333 0.1873166 1.1737924), wk = 0.0026178 k( 306) = ( 0.4500000 0.1945211 1.1659436), wk = 0.0026178 k( 307) = ( 0.4666667 0.2017256 1.1580948), wk = 0.0026178 k( 308) = ( 0.4833333 0.2089300 1.1502460), wk = 0.0026178 k( 309) = ( 0.5000000 0.2161345 1.1423973), wk = 0.0026178 k( 310) = ( 0.5000000 0.2161345 1.1423973), wk = 0.0026178 k( 311) = ( 0.5000000 0.2161345 1.1223552), wk = 0.0026178 k( 312) = ( 0.5000000 0.2161345 1.1023131), wk = 0.0026178 k( 313) = ( 0.5000000 0.2161345 1.0822711), wk = 0.0026178 k( 314) = ( 0.5000000 0.2161345 1.0622290), wk = 0.0026178 k( 315) = ( 0.5000000 0.2161345 1.0421870), wk = 0.0026178 k( 316) = ( 0.5000000 0.2161345 1.0221449), wk = 0.0026178 k( 317) = ( 0.5000000 0.2161345 1.0021028), wk = 0.0026178 k( 318) = ( 0.5000000 0.2161345 0.9820608), wk = 0.0026178 k( 319) = ( 0.5000000 0.2161345 0.9620187), wk = 0.0026178 k( 320) = ( 0.5000000 0.2161345 0.9419767), wk = 0.0026178 k( 321) = ( 0.5000000 0.2161345 0.9219346), wk = 0.0026178 k( 322) = ( 0.5000000 0.2161345 0.9018926), wk = 0.0026178 k( 323) = ( 0.5000000 0.2161345 0.8818505), wk = 0.0026178 k( 324) = ( 0.5000000 0.2161345 0.8618085), wk = 0.0026178 k( 325) = ( 0.5000000 0.2161345 0.8417664), wk = 0.0026178 k( 326) = ( 0.5000000 0.2161345 0.8217243), wk = 0.0026178 k( 327) = ( 0.5000000 0.2161345 0.8016823), wk = 0.0026178 k( 328) = ( 0.5000000 0.2161345 0.7816402), wk = 0.0026178 k( 329) = ( 0.5000000 0.2161345 0.7615982), wk = 0.0026178 k( 330) = ( 0.5000000 0.2161345 0.7415561), wk = 0.0026178 k( 331) = ( 0.5000000 0.2161345 0.7215140), wk = 0.0026178 k( 332) = ( 0.5000000 0.2161345 0.7014720), wk = 0.0026178 k( 333) = ( 0.5000000 0.2161345 0.6814299), wk = 0.0026178 k( 334) = ( 0.5000000 0.2161345 0.6613879), wk = 0.0026178 k( 335) = ( 0.5000000 0.2161345 0.6413458), wk = 0.0026178 k( 336) = ( 0.5000000 0.2161345 0.6213038), wk = 0.0026178 k( 337) = ( 0.5000000 0.2161345 0.6012617), wk = 0.0026178 k( 338) = ( 0.5000000 0.2161345 0.5812197), wk = 0.0026178 k( 339) = ( 0.5000000 0.2161345 0.5611776), wk = 0.0026178 k( 340) = ( 0.5000000 0.2161345 0.5411355), wk = 0.0026178 k( 341) = ( 0.5000000 0.2161345 0.5210935), wk = 0.0026178 k( 342) = ( 0.5000000 0.2161345 0.5010514), wk = 0.0026178 k( 343) = ( 0.5000000 0.2161345 0.4810094), wk = 0.0026178 k( 344) = ( 0.5000000 0.2161345 0.4609673), wk = 0.0026178 k( 345) = ( 0.5000000 0.2161345 0.4409253), wk = 0.0026178 k( 346) = ( 0.5000000 0.2161345 0.4208832), wk = 0.0026178 k( 347) = ( 0.5000000 0.2161345 0.4008411), wk = 0.0026178 k( 348) = ( 0.5000000 0.2161345 0.3807991), wk = 0.0026178 k( 349) = ( 0.5000000 0.2161345 0.3607570), wk = 0.0026178 k( 350) = ( 0.5000000 0.2161345 0.3407150), wk = 0.0026178 k( 351) = ( 0.5000000 0.2161345 0.3206729), wk = 0.0026178 k( 352) = ( 0.5000000 0.2161345 0.3006308), wk = 0.0026178 k( 353) = ( 0.5000000 0.2161345 0.2805888), wk = 0.0026178 k( 354) = ( 0.5000000 0.2161345 0.2605467), wk = 0.0026178 k( 355) = ( 0.5000000 0.2161345 0.2405047), wk = 0.0026178 k( 356) = ( 0.5000000 0.2161345 0.2204626), wk = 0.0026178 k( 357) = ( 0.5000000 0.2161345 0.2004206), wk = 0.0026178 k( 358) = ( 0.5000000 0.2161345 0.1803785), wk = 0.0026178 k( 359) = ( 0.5000000 0.2161345 0.1603365), wk = 0.0026178 k( 360) = ( 0.5000000 0.2161345 0.1402944), wk = 0.0026178 k( 361) = ( 0.5000000 0.2161345 0.1202523), wk = 0.0026178 k( 362) = ( 0.5000000 0.2161345 0.1002103), wk = 0.0026178 k( 363) = ( 0.5000000 0.2161345 0.0801682), wk = 0.0026178 k( 364) = ( 0.5000000 0.2161345 0.0601262), wk = 0.0026178 k( 365) = ( 0.5000000 0.2161345 0.0400841), wk = 0.0026178 k( 366) = ( 0.5000000 0.2161345 0.0200420), wk = 0.0026178 k( 367) = ( 0.5000000 0.2161345 0.0000000), wk = 0.0026178 k( 368) = ( 0.0000000 0.0000000 1.2601289), wk = 0.0026178 k( 369) = ( 0.0178571 0.0077191 1.2601289), wk = 0.0026178 k( 370) = ( 0.0357143 0.0154382 1.2601289), wk = 0.0026178 k( 371) = ( 0.0535714 0.0231573 1.2601289), wk = 0.0026178 k( 372) = ( 0.0714286 0.0308764 1.2601289), wk = 0.0026178 k( 373) = ( 0.0892857 0.0385954 1.2601289), wk = 0.0026178 k( 374) = ( 0.1071429 0.0463145 1.2601289), wk = 0.0026178 k( 375) = ( 0.1250000 0.0540336 1.2601289), wk = 0.0026178 k( 376) = ( 0.1428571 0.0617527 1.2601289), wk = 0.0026178 k( 377) = ( 0.1607143 0.0694718 1.2601289), wk = 0.0026178 k( 378) = ( 0.1785714 0.0771909 1.2601289), wk = 0.0026178 k( 379) = ( 0.1964286 0.0849100 1.2601289), wk = 0.0026178 k( 380) = ( 0.2142857 0.0926291 1.2601289), wk = 0.0026178 k( 381) = ( 0.2321429 0.1003482 1.2601289), wk = 0.0026178 k( 382) = ( 0.2500000 0.1080673 1.2601289), wk = 0.0026178 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 2) = ( 0.0000000 0.0000000 0.0079365), wk = 0.0026178 k( 3) = ( 0.0000000 0.0000000 0.0158730), wk = 0.0026178 k( 4) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0026178 k( 5) = ( 0.0000000 0.0000000 0.0317460), wk = 0.0026178 k( 6) = ( 0.0000000 0.0000000 0.0396825), wk = 0.0026178 k( 7) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0026178 k( 8) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0026178 k( 9) = ( 0.0000000 0.0000000 0.0634921), wk = 0.0026178 k( 10) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0026178 k( 11) = ( 0.0000000 0.0000000 0.0793651), wk = 0.0026178 k( 12) = ( 0.0000000 0.0000000 0.0873016), wk = 0.0026178 k( 13) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0026178 k( 14) = ( 0.0000000 0.0000000 0.1031746), wk = 0.0026178 k( 15) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0026178 k( 16) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0026178 k( 17) = ( 0.0000000 0.0000000 0.1269841), wk = 0.0026178 k( 18) = ( 0.0000000 0.0000000 0.1349206), wk = 0.0026178 k( 19) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0026178 k( 20) = ( 0.0000000 0.0000000 0.1507937), wk = 0.0026178 k( 21) = ( 0.0000000 0.0000000 0.1587302), wk = 0.0026178 k( 22) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026178 k( 23) = ( 0.0000000 0.0000000 0.1746032), wk = 0.0026178 k( 24) = ( 0.0000000 0.0000000 0.1825397), wk = 0.0026178 k( 25) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0026178 k( 26) = ( 0.0000000 0.0000000 0.1984127), wk = 0.0026178 k( 27) = ( 0.0000000 0.0000000 0.2063492), wk = 0.0026178 k( 28) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0026178 k( 29) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0026178 k( 30) = ( 0.0000000 0.0000000 0.2301587), wk = 0.0026178 k( 31) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0026178 k( 32) = ( 0.0000000 0.0000000 0.2460317), wk = 0.0026178 k( 33) = ( 0.0000000 0.0000000 0.2539683), wk = 0.0026178 k( 34) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0026178 k( 35) = ( 0.0000000 0.0000000 0.2698413), wk = 0.0026178 k( 36) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0026178 k( 37) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0026178 k( 38) = ( 0.0000000 0.0000000 0.2936508), wk = 0.0026178 k( 39) = ( 0.0000000 0.0000000 0.3015873), wk = 0.0026178 k( 40) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0026178 k( 41) = ( 0.0000000 0.0000000 0.3174603), wk = 0.0026178 k( 42) = ( 0.0000000 0.0000000 0.3253968), wk = 0.0026178 k( 43) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026178 k( 44) = ( 0.0000000 0.0000000 0.3412698), wk = 0.0026178 k( 45) = ( 0.0000000 0.0000000 0.3492063), wk = 0.0026178 k( 46) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0026178 k( 47) = ( 0.0000000 0.0000000 0.3650794), wk = 0.0026178 k( 48) = ( 0.0000000 0.0000000 0.3730159), wk = 0.0026178 k( 49) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0026178 k( 50) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0026178 k( 51) = ( 0.0000000 0.0000000 0.3968254), wk = 0.0026178 k( 52) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0026178 k( 53) = ( 0.0000000 0.0000000 0.4126984), wk = 0.0026178 k( 54) = ( 0.0000000 0.0000000 0.4206349), wk = 0.0026178 k( 55) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0026178 k( 56) = ( 0.0000000 0.0000000 0.4365079), wk = 0.0026178 k( 57) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0026178 k( 58) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0026178 k( 59) = ( 0.0000000 0.0000000 0.4603175), wk = 0.0026178 k( 60) = ( 0.0000000 0.0000000 0.4682540), wk = 0.0026178 k( 61) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0026178 k( 62) = ( 0.0000000 0.0000000 0.4841270), wk = 0.0026178 k( 63) = ( 0.0000000 0.0000000 0.4920635), wk = 0.0026178 k( 64) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026178 k( 65) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026178 k( 66) = ( -0.0077857 0.0077857 0.5000000), wk = 0.0026178 k( 67) = ( -0.0155714 0.0155714 0.5000000), wk = 0.0026178 k( 68) = ( -0.0233571 0.0233571 0.5000000), wk = 0.0026178 k( 69) = ( -0.0311428 0.0311428 0.5000000), wk = 0.0026178 k( 70) = ( -0.0389284 0.0389284 0.5000000), wk = 0.0026178 k( 71) = ( -0.0467141 0.0467141 0.5000000), wk = 0.0026178 k( 72) = ( -0.0467141 0.0467141 0.5000000), wk = 0.0026178 k( 73) = ( -0.0523802 0.0523802 0.4943339), wk = 0.0026178 k( 74) = ( -0.0580463 0.0580463 0.4886679), wk = 0.0026178 k( 75) = ( -0.0637124 0.0637124 0.4830018), wk = 0.0026178 k( 76) = ( -0.0693784 0.0693784 0.4773357), wk = 0.0026178 k( 77) = ( -0.0750445 0.0750445 0.4716696), wk = 0.0026178 k( 78) = ( -0.0807106 0.0807106 0.4660036), wk = 0.0026178 k( 79) = ( -0.0863766 0.0863767 0.4603375), wk = 0.0026178 k( 80) = ( -0.0920427 0.0920427 0.4546714), wk = 0.0026178 k( 81) = ( -0.0977088 0.0977088 0.4490053), wk = 0.0026178 k( 82) = ( -0.1033749 0.1033749 0.4433393), wk = 0.0026178 k( 83) = ( -0.1090409 0.1090409 0.4376732), wk = 0.0026178 k( 84) = ( -0.1147070 0.1147070 0.4320071), wk = 0.0026178 k( 85) = ( -0.1203731 0.1203731 0.4263410), wk = 0.0026178 k( 86) = ( -0.1260392 0.1260392 0.4206750), wk = 0.0026178 k( 87) = ( -0.1317052 0.1317052 0.4150089), wk = 0.0026178 k( 88) = ( -0.1373713 0.1373713 0.4093428), wk = 0.0026178 k( 89) = ( -0.1430374 0.1430374 0.4036767), wk = 0.0026178 k( 90) = ( -0.1487034 0.1487035 0.3980107), wk = 0.0026178 k( 91) = ( -0.1543695 0.1543695 0.3923446), wk = 0.0026178 k( 92) = ( -0.1600356 0.1600356 0.3866785), wk = 0.0026178 k( 93) = ( -0.1657017 0.1657017 0.3810125), wk = 0.0026178 k( 94) = ( -0.1713678 0.1713678 0.3753464), wk = 0.0026178 k( 95) = ( -0.1770338 0.1770338 0.3696803), wk = 0.0026178 k( 96) = ( -0.1826999 0.1826999 0.3640142), wk = 0.0026178 k( 97) = ( -0.1883660 0.1883660 0.3583482), wk = 0.0026178 k( 98) = ( -0.1940320 0.1940320 0.3526821), wk = 0.0026178 k( 99) = ( -0.1996981 0.1996981 0.3470160), wk = 0.0026178 k( 100) = ( -0.2053642 0.2053642 0.3413500), wk = 0.0026178 k( 101) = ( -0.2110303 0.2110303 0.3356839), wk = 0.0026178 k( 102) = ( -0.2166963 0.2166963 0.3300178), wk = 0.0026178 k( 103) = ( -0.2223624 0.2223624 0.3243517), wk = 0.0026178 k( 104) = ( -0.2280285 0.2280285 0.3186856), wk = 0.0026178 k( 105) = ( -0.2336946 0.2336946 0.3130196), wk = 0.0026178 k( 106) = ( -0.2393606 0.2393606 0.3073535), wk = 0.0026178 k( 107) = ( -0.2450267 0.2450267 0.3016874), wk = 0.0026178 k( 108) = ( -0.2506928 0.2506928 0.2960214), wk = 0.0026178 k( 109) = ( -0.2563589 0.2563589 0.2903553), wk = 0.0026178 k( 110) = ( -0.2620249 0.2620249 0.2846892), wk = 0.0026178 k( 111) = ( -0.2676910 0.2676910 0.2790231), wk = 0.0026178 k( 112) = ( -0.2733571 0.2733571 0.2733571), wk = 0.0026178 k( 113) = ( -0.2733571 0.2733571 0.2733571), wk = 0.0026178 k( 114) = ( -0.2677783 0.2677783 0.2677783), wk = 0.0026178 k( 115) = ( -0.2621996 0.2621996 0.2621996), wk = 0.0026178 k( 116) = ( -0.2566209 0.2566209 0.2566209), wk = 0.0026178 k( 117) = ( -0.2510422 0.2510422 0.2510422), wk = 0.0026178 k( 118) = ( -0.2454635 0.2454635 0.2454635), wk = 0.0026178 k( 119) = ( -0.2398848 0.2398848 0.2398848), wk = 0.0026178 k( 120) = ( -0.2343061 0.2343061 0.2343061), wk = 0.0026178 k( 121) = ( -0.2287273 0.2287273 0.2287273), wk = 0.0026178 k( 122) = ( -0.2231486 0.2231486 0.2231486), wk = 0.0026178 k( 123) = ( -0.2175699 0.2175699 0.2175699), wk = 0.0026178 k( 124) = ( -0.2119912 0.2119912 0.2119912), wk = 0.0026178 k( 125) = ( -0.2064125 0.2064125 0.2064125), wk = 0.0026178 k( 126) = ( -0.2008338 0.2008338 0.2008338), wk = 0.0026178 k( 127) = ( -0.1952551 0.1952551 0.1952550), wk = 0.0026178 k( 128) = ( -0.1896763 0.1896763 0.1896763), wk = 0.0026178 k( 129) = ( -0.1840976 0.1840976 0.1840976), wk = 0.0026178 k( 130) = ( -0.1785189 0.1785189 0.1785189), wk = 0.0026178 k( 131) = ( -0.1729402 0.1729402 0.1729402), wk = 0.0026178 k( 132) = ( -0.1673615 0.1673615 0.1673615), wk = 0.0026178 k( 133) = ( -0.1617828 0.1617828 0.1617828), wk = 0.0026178 k( 134) = ( -0.1562040 0.1562040 0.1562040), wk = 0.0026178 k( 135) = ( -0.1506253 0.1506253 0.1506253), wk = 0.0026178 k( 136) = ( -0.1450466 0.1450466 0.1450466), wk = 0.0026178 k( 137) = ( -0.1394679 0.1394679 0.1394679), wk = 0.0026178 k( 138) = ( -0.1338892 0.1338892 0.1338892), wk = 0.0026178 k( 139) = ( -0.1283105 0.1283105 0.1283105), wk = 0.0026178 k( 140) = ( -0.1227317 0.1227317 0.1227317), wk = 0.0026178 k( 141) = ( -0.1171530 0.1171530 0.1171530), wk = 0.0026178 k( 142) = ( -0.1115743 0.1115743 0.1115743), wk = 0.0026178 k( 143) = ( -0.1059956 0.1059956 0.1059956), wk = 0.0026178 k( 144) = ( -0.1004169 0.1004169 0.1004169), wk = 0.0026178 k( 145) = ( -0.0948382 0.0948382 0.0948382), wk = 0.0026178 k( 146) = ( -0.0892595 0.0892595 0.0892595), wk = 0.0026178 k( 147) = ( -0.0836807 0.0836807 0.0836807), wk = 0.0026178 k( 148) = ( -0.0781020 0.0781020 0.0781020), wk = 0.0026178 k( 149) = ( -0.0725233 0.0725233 0.0725233), wk = 0.0026178 k( 150) = ( -0.0669446 0.0669446 0.0669446), wk = 0.0026178 k( 151) = ( -0.0613659 0.0613659 0.0613659), wk = 0.0026178 k( 152) = ( -0.0557872 0.0557872 0.0557872), wk = 0.0026178 k( 153) = ( -0.0502084 0.0502084 0.0502084), wk = 0.0026178 k( 154) = ( -0.0446297 0.0446297 0.0446297), wk = 0.0026178 k( 155) = ( -0.0390510 0.0390510 0.0390510), wk = 0.0026178 k( 156) = ( -0.0334723 0.0334723 0.0334723), wk = 0.0026178 k( 157) = ( -0.0278936 0.0278936 0.0278936), wk = 0.0026178 k( 158) = ( -0.0223149 0.0223149 0.0223149), wk = 0.0026178 k( 159) = ( -0.0167362 0.0167362 0.0167361), wk = 0.0026178 k( 160) = ( -0.0111574 0.0111574 0.0111574), wk = 0.0026178 k( 161) = ( -0.0055787 0.0055787 0.0055787), wk = 0.0026178 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 164) = ( 0.0185185 0.0185185 -0.0185185), wk = 0.0026178 k( 165) = ( 0.0370370 0.0370370 -0.0370370), wk = 0.0026178 k( 166) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0026178 k( 167) = ( 0.0740741 0.0740741 -0.0740741), wk = 0.0026178 k( 168) = ( 0.0925926 0.0925926 -0.0925926), wk = 0.0026178 k( 169) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0026178 k( 170) = ( 0.1296296 0.1296296 -0.1296296), wk = 0.0026178 k( 171) = ( 0.1481482 0.1481482 -0.1481481), wk = 0.0026178 k( 172) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0026178 k( 173) = ( 0.1851852 0.1851852 -0.1851852), wk = 0.0026178 k( 174) = ( 0.2037037 0.2037037 -0.2037037), wk = 0.0026178 k( 175) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0026178 k( 176) = ( 0.2407407 0.2407407 -0.2407407), wk = 0.0026178 k( 177) = ( 0.2592593 0.2592593 -0.2592593), wk = 0.0026178 k( 178) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0026178 k( 179) = ( 0.2962963 0.2962963 -0.2962963), wk = 0.0026178 k( 180) = ( 0.3148148 0.3148148 -0.3148148), wk = 0.0026178 k( 181) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0026178 k( 182) = ( 0.3518519 0.3518519 -0.3518519), wk = 0.0026178 k( 183) = ( 0.3703704 0.3703704 -0.3703704), wk = 0.0026178 k( 184) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0026178 k( 185) = ( 0.4074074 0.4074074 -0.4074074), wk = 0.0026178 k( 186) = ( 0.4259259 0.4259259 -0.4259259), wk = 0.0026178 k( 187) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0026178 k( 188) = ( 0.4629630 0.4629630 -0.4629630), wk = 0.0026178 k( 189) = ( 0.4814815 0.4814815 -0.4814815), wk = 0.0026178 k( 190) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026178 k( 191) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026178 k( 192) = ( 0.4943339 0.5056661 -0.4943339), wk = 0.0026178 k( 193) = ( 0.4886679 0.5113321 -0.4886679), wk = 0.0026178 k( 194) = ( 0.4830018 0.5169982 -0.4830018), wk = 0.0026178 k( 195) = ( 0.4773357 0.5226643 -0.4773357), wk = 0.0026178 k( 196) = ( 0.4716696 0.5283304 -0.4716696), wk = 0.0026178 k( 197) = ( 0.4660036 0.5339964 -0.4660036), wk = 0.0026178 k( 198) = ( 0.4603375 0.5396625 -0.4603375), wk = 0.0026178 k( 199) = ( 0.4546714 0.5453286 -0.4546714), wk = 0.0026178 k( 200) = ( 0.4490053 0.5509947 -0.4490053), wk = 0.0026178 k( 201) = ( 0.4433393 0.5566607 -0.4433393), wk = 0.0026178 k( 202) = ( 0.4376732 0.5623268 -0.4376732), wk = 0.0026178 k( 203) = ( 0.4320071 0.5679929 -0.4320071), wk = 0.0026178 k( 204) = ( 0.4263410 0.5736590 -0.4263410), wk = 0.0026178 k( 205) = ( 0.4206750 0.5793250 -0.4206750), wk = 0.0026178 k( 206) = ( 0.4150089 0.5849911 -0.4150089), wk = 0.0026178 k( 207) = ( 0.4093428 0.5906572 -0.4093428), wk = 0.0026178 k( 208) = ( 0.4036767 0.5963233 -0.4036767), wk = 0.0026178 k( 209) = ( 0.3980107 0.6019893 -0.3980107), wk = 0.0026178 k( 210) = ( 0.3923446 0.6076554 -0.3923446), wk = 0.0026178 k( 211) = ( 0.3866785 0.6133215 -0.3866785), wk = 0.0026178 k( 212) = ( 0.3810125 0.6189875 -0.3810125), wk = 0.0026178 k( 213) = ( 0.3753464 0.6246536 -0.3753464), wk = 0.0026178 k( 214) = ( 0.3696803 0.6303197 -0.3696803), wk = 0.0026178 k( 215) = ( 0.3640142 0.6359858 -0.3640142), wk = 0.0026178 k( 216) = ( 0.3583482 0.6416518 -0.3583482), wk = 0.0026178 k( 217) = ( 0.3526821 0.6473179 -0.3526821), wk = 0.0026178 k( 218) = ( 0.3470160 0.6529840 -0.3470160), wk = 0.0026178 k( 219) = ( 0.3413500 0.6586500 -0.3413499), wk = 0.0026178 k( 220) = ( 0.3356839 0.6643161 -0.3356839), wk = 0.0026178 k( 221) = ( 0.3300178 0.6699822 -0.3300178), wk = 0.0026178 k( 222) = ( 0.3243517 0.6756483 -0.3243517), wk = 0.0026178 k( 223) = ( 0.3186856 0.6813144 -0.3186856), wk = 0.0026178 k( 224) = ( 0.3130196 0.6869804 -0.3130196), wk = 0.0026178 k( 225) = ( 0.3073535 0.6926465 -0.3073535), wk = 0.0026178 k( 226) = ( 0.3016874 0.6983126 -0.3016874), wk = 0.0026178 k( 227) = ( 0.2960214 0.7039786 -0.2960214), wk = 0.0026178 k( 228) = ( 0.2903553 0.7096447 -0.2903553), wk = 0.0026178 k( 229) = ( 0.2846892 0.7153108 -0.2846892), wk = 0.0026178 k( 230) = ( 0.2790231 0.7209769 -0.2790231), wk = 0.0026178 k( 231) = ( 0.2733571 0.7266429 -0.2733571), wk = 0.0026178 k( 232) = ( 0.2733571 0.7266429 -0.2733571), wk = 0.0026178 k( 233) = ( 0.2551333 0.7115334 -0.2551333), wk = 0.0026178 k( 234) = ( 0.2369095 0.6964239 -0.2369095), wk = 0.0026178 k( 235) = ( 0.2186857 0.6813144 -0.2186857), wk = 0.0026178 k( 236) = ( 0.2004618 0.6662048 -0.2004618), wk = 0.0026178 k( 237) = ( 0.1822380 0.6510953 -0.1822380), wk = 0.0026178 k( 238) = ( 0.1640142 0.6359858 -0.1640142), wk = 0.0026178 k( 239) = ( 0.1457904 0.6208762 -0.1457904), wk = 0.0026178 k( 240) = ( 0.1275666 0.6057667 -0.1275666), wk = 0.0026178 k( 241) = ( 0.1093428 0.5906572 -0.1093428), wk = 0.0026178 k( 242) = ( 0.0911190 0.5755476 -0.0911190), wk = 0.0026178 k( 243) = ( 0.0728952 0.5604381 -0.0728952), wk = 0.0026178 k( 244) = ( 0.0546714 0.5453286 -0.0546714), wk = 0.0026178 k( 245) = ( 0.0364476 0.5302191 -0.0364476), wk = 0.0026178 k( 246) = ( 0.0182238 0.5151095 -0.0182238), wk = 0.0026178 k( 247) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026178 k( 248) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026178 k( 249) = ( 0.0055556 0.4944444 0.0055556), wk = 0.0026178 k( 250) = ( 0.0111111 0.4888889 0.0111111), wk = 0.0026178 k( 251) = ( 0.0166667 0.4833333 0.0166667), wk = 0.0026178 k( 252) = ( 0.0222222 0.4777778 0.0222222), wk = 0.0026178 k( 253) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0026178 k( 254) = ( 0.0333333 0.4666667 0.0333333), wk = 0.0026178 k( 255) = ( 0.0388889 0.4611111 0.0388889), wk = 0.0026178 k( 256) = ( 0.0444444 0.4555556 0.0444444), wk = 0.0026178 k( 257) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0026178 k( 258) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0026178 k( 259) = ( 0.0611111 0.4388889 0.0611111), wk = 0.0026178 k( 260) = ( 0.0666667 0.4333333 0.0666667), wk = 0.0026178 k( 261) = ( 0.0722222 0.4277778 0.0722222), wk = 0.0026178 k( 262) = ( 0.0777778 0.4222222 0.0777778), wk = 0.0026178 k( 263) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0026178 k( 264) = ( 0.0888889 0.4111111 0.0888889), wk = 0.0026178 k( 265) = ( 0.0944444 0.4055556 0.0944444), wk = 0.0026178 k( 266) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0026178 k( 267) = ( 0.1055556 0.3944444 0.1055556), wk = 0.0026178 k( 268) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0026178 k( 269) = ( 0.1166667 0.3833333 0.1166667), wk = 0.0026178 k( 270) = ( 0.1222222 0.3777778 0.1222222), wk = 0.0026178 k( 271) = ( 0.1277778 0.3722222 0.1277778), wk = 0.0026178 k( 272) = ( 0.1333333 0.3666667 0.1333333), wk = 0.0026178 k( 273) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0026178 k( 274) = ( 0.1444444 0.3555556 0.1444444), wk = 0.0026178 k( 275) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0026178 k( 276) = ( 0.1555556 0.3444444 0.1555556), wk = 0.0026178 k( 277) = ( 0.1611111 0.3388889 0.1611111), wk = 0.0026178 k( 278) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0026178 k( 279) = ( 0.1722222 0.3277778 0.1722222), wk = 0.0026178 k( 280) = ( 0.1777778 0.3222222 0.1777778), wk = 0.0026178 k( 281) = ( 0.1833333 0.3166667 0.1833333), wk = 0.0026178 k( 282) = ( 0.1888889 0.3111111 0.1888889), wk = 0.0026178 k( 283) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0026178 k( 284) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0026178 k( 285) = ( 0.2055556 0.2944444 0.2055556), wk = 0.0026178 k( 286) = ( 0.2111111 0.2888889 0.2111111), wk = 0.0026178 k( 287) = ( 0.2166667 0.2833333 0.2166667), wk = 0.0026178 k( 288) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0026178 k( 289) = ( 0.2277778 0.2722222 0.2277778), wk = 0.0026178 k( 290) = ( 0.2333333 0.2666667 0.2333333), wk = 0.0026178 k( 291) = ( 0.2388889 0.2611111 0.2388889), wk = 0.0026178 k( 292) = ( 0.2444444 0.2555556 0.2444444), wk = 0.0026178 k( 293) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026178 k( 294) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026178 k( 295) = ( 0.2666667 0.2666667 0.2302191), wk = 0.0026178 k( 296) = ( 0.2833333 0.2833333 0.2104381), wk = 0.0026178 k( 297) = ( 0.3000000 0.3000000 0.1906572), wk = 0.0026178 k( 298) = ( 0.3166667 0.3166667 0.1708762), wk = 0.0026178 k( 299) = ( 0.3333333 0.3333333 0.1510953), wk = 0.0026178 k( 300) = ( 0.3500000 0.3500000 0.1313144), wk = 0.0026178 k( 301) = ( 0.3666667 0.3666667 0.1115334), wk = 0.0026178 k( 302) = ( 0.3833333 0.3833333 0.0917525), wk = 0.0026178 k( 303) = ( 0.4000000 0.4000000 0.0719715), wk = 0.0026178 k( 304) = ( 0.4166667 0.4166667 0.0521906), wk = 0.0026178 k( 305) = ( 0.4333333 0.4333333 0.0324096), wk = 0.0026178 k( 306) = ( 0.4500000 0.4500000 0.0126287), wk = 0.0026178 k( 307) = ( 0.4666667 0.4666667 -0.0071522), wk = 0.0026178 k( 308) = ( 0.4833333 0.4833333 -0.0269332), wk = 0.0026178 k( 309) = ( 0.5000000 0.5000000 -0.0467141), wk = 0.0026178 k( 310) = ( 0.5000000 0.5000000 -0.0467141), wk = 0.0026178 k( 311) = ( 0.5000000 0.5000000 -0.0546665), wk = 0.0026178 k( 312) = ( 0.5000000 0.5000000 -0.0626189), wk = 0.0026178 k( 313) = ( 0.5000000 0.5000000 -0.0705713), wk = 0.0026178 k( 314) = ( 0.5000000 0.5000000 -0.0785237), wk = 0.0026178 k( 315) = ( 0.5000000 0.5000000 -0.0864760), wk = 0.0026178 k( 316) = ( 0.5000000 0.5000000 -0.0944284), wk = 0.0026178 k( 317) = ( 0.5000000 0.5000000 -0.1023808), wk = 0.0026178 k( 318) = ( 0.5000000 0.5000000 -0.1103332), wk = 0.0026178 k( 319) = ( 0.5000000 0.5000000 -0.1182856), wk = 0.0026178 k( 320) = ( 0.5000000 0.5000000 -0.1262380), wk = 0.0026178 k( 321) = ( 0.5000000 0.5000000 -0.1341903), wk = 0.0026178 k( 322) = ( 0.5000000 0.5000000 -0.1421427), wk = 0.0026178 k( 323) = ( 0.5000000 0.5000000 -0.1500951), wk = 0.0026178 k( 324) = ( 0.5000000 0.5000000 -0.1580475), wk = 0.0026178 k( 325) = ( 0.5000000 0.5000000 -0.1659999), wk = 0.0026178 k( 326) = ( 0.5000000 0.5000000 -0.1739523), wk = 0.0026178 k( 327) = ( 0.5000000 0.5000000 -0.1819046), wk = 0.0026178 k( 328) = ( 0.5000000 0.5000000 -0.1898570), wk = 0.0026178 k( 329) = ( 0.5000000 0.5000000 -0.1978094), wk = 0.0026178 k( 330) = ( 0.5000000 0.5000000 -0.2057618), wk = 0.0026178 k( 331) = ( 0.5000000 0.5000000 -0.2137142), wk = 0.0026178 k( 332) = ( 0.5000000 0.5000000 -0.2216666), wk = 0.0026178 k( 333) = ( 0.5000000 0.5000000 -0.2296190), wk = 0.0026178 k( 334) = ( 0.5000000 0.5000000 -0.2375713), wk = 0.0026178 k( 335) = ( 0.5000000 0.5000000 -0.2455237), wk = 0.0026178 k( 336) = ( 0.5000000 0.5000000 -0.2534761), wk = 0.0026178 k( 337) = ( 0.5000000 0.5000000 -0.2614285), wk = 0.0026178 k( 338) = ( 0.5000000 0.5000000 -0.2693809), wk = 0.0026178 k( 339) = ( 0.5000000 0.5000000 -0.2773333), wk = 0.0026178 k( 340) = ( 0.5000000 0.5000000 -0.2852856), wk = 0.0026178 k( 341) = ( 0.5000000 0.5000000 -0.2932380), wk = 0.0026178 k( 342) = ( 0.5000000 0.5000000 -0.3011904), wk = 0.0026178 k( 343) = ( 0.5000000 0.5000000 -0.3091428), wk = 0.0026178 k( 344) = ( 0.5000000 0.5000000 -0.3170952), wk = 0.0026178 k( 345) = ( 0.5000000 0.5000000 -0.3250476), wk = 0.0026178 k( 346) = ( 0.5000000 0.5000000 -0.3329999), wk = 0.0026178 k( 347) = ( 0.5000000 0.5000000 -0.3409523), wk = 0.0026178 k( 348) = ( 0.5000000 0.5000000 -0.3489047), wk = 0.0026178 k( 349) = ( 0.5000000 0.5000000 -0.3568571), wk = 0.0026178 k( 350) = ( 0.5000000 0.5000000 -0.3648095), wk = 0.0026178 k( 351) = ( 0.5000000 0.5000000 -0.3727619), wk = 0.0026178 k( 352) = ( 0.5000000 0.5000000 -0.3807142), wk = 0.0026178 k( 353) = ( 0.5000000 0.5000000 -0.3886666), wk = 0.0026178 k( 354) = ( 0.5000000 0.5000000 -0.3966190), wk = 0.0026178 k( 355) = ( 0.5000000 0.5000000 -0.4045714), wk = 0.0026178 k( 356) = ( 0.5000000 0.5000000 -0.4125238), wk = 0.0026178 k( 357) = ( 0.5000000 0.5000000 -0.4204762), wk = 0.0026178 k( 358) = ( 0.5000000 0.5000000 -0.4284286), wk = 0.0026178 k( 359) = ( 0.5000000 0.5000000 -0.4363809), wk = 0.0026178 k( 360) = ( 0.5000000 0.5000000 -0.4443333), wk = 0.0026178 k( 361) = ( 0.5000000 0.5000000 -0.4522857), wk = 0.0026178 k( 362) = ( 0.5000000 0.5000000 -0.4602381), wk = 0.0026178 k( 363) = ( 0.5000000 0.5000000 -0.4681905), wk = 0.0026178 k( 364) = ( 0.5000000 0.5000000 -0.4761429), wk = 0.0026178 k( 365) = ( 0.5000000 0.5000000 -0.4840952), wk = 0.0026178 k( 366) = ( 0.5000000 0.5000000 -0.4920476), wk = 0.0026178 k( 367) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026178 k( 368) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026178 k( 369) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0026178 k( 370) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0026178 k( 371) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0026178 k( 372) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0026178 k( 373) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0026178 k( 374) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0026178 k( 375) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0026178 k( 376) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0026178 k( 377) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0026178 k( 378) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0026178 k( 379) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0026178 k( 380) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0026178 k( 381) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0026178 k( 382) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026178 Dense grid: 49207 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 21821 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 172, 58) NL pseudopotentials 0.21 Mb ( 86, 158) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1367) G-vector shells 0.00 Mb ( 629) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.61 Mb ( 172, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.28 Mb ( 158, 2, 58) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./Ca2SiO4.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 5.1 secs Computing kpt #: 2 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 7.2 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 9.3 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 11.4 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 13.5 secs Computing kpt #: 6 total cpu time spent up to now is 15.4 secs Computing kpt #: 7 total cpu time spent up to now is 16.7 secs Computing kpt #: 8 total cpu time spent up to now is 18.3 secs Computing kpt #: 9 total cpu time spent up to now is 19.6 secs Computing kpt #: 10 total cpu time spent up to now is 20.9 secs Computing kpt #: 11 total cpu time spent up to now is 22.2 secs Computing kpt #: 12 total cpu time spent up to now is 23.6 secs Computing kpt #: 13 total cpu time spent up to now is 24.9 secs Computing kpt #: 14 total cpu time spent up to now is 26.3 secs Computing kpt #: 15 total cpu time spent up to now is 27.7 secs Computing kpt #: 16 total cpu time spent up to now is 29.0 secs Computing kpt #: 17 total cpu time spent up to now is 30.2 secs Computing kpt #: 18 total cpu time spent up to now is 31.6 secs Computing kpt #: 19 total cpu time spent up to now is 32.8 secs Computing kpt #: 20 total cpu time spent up to now is 34.2 secs Computing kpt #: 21 total cpu time spent up to now is 35.7 secs Computing kpt #: 22 total cpu time spent up to now is 37.0 secs Computing kpt #: 23 total cpu time spent up to now is 38.4 secs Computing kpt #: 24 total cpu time spent up to now is 39.7 secs Computing kpt #: 25 total cpu time spent up to now is 41.0 secs Computing kpt #: 26 total cpu time spent up to now is 42.3 secs Computing kpt #: 27 total cpu time spent up to now is 43.7 secs Computing kpt #: 28 total cpu time spent up to now is 45.1 secs Computing kpt #: 29 total cpu time spent up to now is 46.4 secs Computing kpt #: 30 total cpu time spent up to now is 47.9 secs Computing kpt #: 31 total cpu time spent up to now is 49.3 secs Computing kpt #: 32 total cpu time spent up to now is 50.7 secs Computing kpt #: 33 total cpu time spent up to now is 52.1 secs Computing kpt #: 34 total cpu time spent up to now is 53.4 secs Computing kpt #: 35 total cpu time spent up to now is 55.0 secs Computing kpt #: 36 total cpu time spent up to now is 56.1 secs Computing kpt #: 37 total cpu time spent up to now is 57.6 secs Computing kpt #: 38 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 59.7 secs Computing kpt #: 39 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 61.9 secs Computing kpt #: 40 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 64.1 secs Computing kpt #: 41 total cpu time spent up to now is 65.8 secs Computing kpt #: 42 total cpu time spent up to now is 67.6 secs Computing kpt #: 43 total cpu time spent up to now is 69.1 secs Computing kpt #: 44 total cpu time spent up to now is 70.6 secs Computing kpt #: 45 total cpu time spent up to now is 71.9 secs Computing kpt #: 46 total cpu time spent up to now is 73.2 secs Computing kpt #: 47 total cpu time spent up to now is 74.4 secs Computing kpt #: 48 total cpu time spent up to now is 75.7 secs Computing kpt #: 49 total cpu time spent up to now is 77.0 secs Computing kpt #: 50 total cpu time spent up to now is 78.3 secs Computing kpt #: 51 total cpu time spent up to now is 79.6 secs Computing kpt #: 52 total cpu time spent up to now is 80.9 secs Computing kpt #: 53 total cpu time spent up to now is 82.1 secs Computing kpt #: 54 total cpu time spent up to now is 83.4 secs Computing kpt #: 55 total cpu time spent up to now is 84.7 secs Computing kpt #: 56 total cpu time spent up to now is 86.4 secs Computing kpt #: 57 total cpu time spent up to now is 88.0 secs Computing kpt #: 58 total cpu time spent up to now is 89.6 secs Computing kpt #: 59 total cpu time spent up to now is 91.6 secs Computing kpt #: 60 total cpu time spent up to now is 93.0 secs Computing kpt #: 61 total cpu time spent up to now is 94.2 secs Computing kpt #: 62 total cpu time spent up to now is 95.7 secs Computing kpt #: 63 total cpu time spent up to now is 97.1 secs Computing kpt #: 64 total cpu time spent up to now is 98.7 secs Computing kpt #: 65 total cpu time spent up to now is 100.1 secs Computing kpt #: 66 total cpu time spent up to now is 102.3 secs Computing kpt #: 67 total cpu time spent up to now is 103.7 secs Computing kpt #: 68 total cpu time spent up to now is 105.8 secs Computing kpt #: 69 total cpu time spent up to now is 107.8 secs Computing kpt #: 70 total cpu time spent up to now is 109.3 secs Computing kpt #: 71 total cpu time spent up to now is 111.0 secs Computing kpt #: 72 total cpu time spent up to now is 112.7 secs Computing kpt #: 73 total cpu time spent up to now is 114.7 secs Computing kpt #: 74 total cpu time spent up to now is 116.4 secs Computing kpt #: 75 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 118.5 secs Computing kpt #: 76 total cpu time spent up to now is 120.4 secs Computing kpt #: 77 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 122.8 secs Computing kpt #: 78 total cpu time spent up to now is 124.8 secs Computing kpt #: 79 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 127.0 secs Computing kpt #: 80 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 129.2 secs Computing kpt #: 81 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 131.3 secs Computing kpt #: 82 total cpu time spent up to now is 133.4 secs Computing kpt #: 83 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 135.5 secs Computing kpt #: 84 total cpu time spent up to now is 137.3 secs Computing kpt #: 85 total cpu time spent up to now is 139.0 secs Computing kpt #: 86 total cpu time spent up to now is 140.8 secs Computing kpt #: 87 total cpu time spent up to now is 142.3 secs Computing kpt #: 88 total cpu time spent up to now is 144.2 secs Computing kpt #: 89 total cpu time spent up to now is 145.7 secs Computing kpt #: 90 total cpu time spent up to now is 147.1 secs Computing kpt #: 91 total cpu time spent up to now is 148.5 secs Computing kpt #: 92 total cpu time spent up to now is 149.8 secs Computing kpt #: 93 total cpu time spent up to now is 151.0 secs Computing kpt #: 94 total cpu time spent up to now is 152.3 secs Computing kpt #: 95 total cpu time spent up to now is 153.6 secs Computing kpt #: 96 total cpu time spent up to now is 155.0 secs Computing kpt #: 97 total cpu time spent up to now is 156.2 secs Computing kpt #: 98 total cpu time spent up to now is 157.6 secs Computing kpt #: 99 total cpu time spent up to now is 158.9 secs Computing kpt #: 100 total cpu time spent up to now is 160.2 secs Computing kpt #: 101 total cpu time spent up to now is 161.5 secs Computing kpt #: 102 total cpu time spent up to now is 162.9 secs Computing kpt #: 103 total cpu time spent up to now is 164.1 secs Computing kpt #: 104 total cpu time spent up to now is 165.5 secs Computing kpt #: 105 total cpu time spent up to now is 167.1 secs Computing kpt #: 106 total cpu time spent up to now is 168.6 secs Computing kpt #: 107 total cpu time spent up to now is 169.9 secs Computing kpt #: 108 total cpu time spent up to now is 171.5 secs Computing kpt #: 109 total cpu time spent up to now is 173.4 secs Computing kpt #: 110 total cpu time spent up to now is 174.7 secs Computing kpt #: 111 total cpu time spent up to now is 176.4 secs Computing kpt #: 112 total cpu time spent up to now is 178.1 secs Computing kpt #: 113 total cpu time spent up to now is 179.4 secs Computing kpt #: 114 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 181.5 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 183.7 secs Computing kpt #: 116 total cpu time spent up to now is 185.0 secs Computing kpt #: 117 total cpu time spent up to now is 186.2 secs Computing kpt #: 118 total cpu time spent up to now is 187.5 secs Computing kpt #: 119 total cpu time spent up to now is 188.7 secs Computing kpt #: 120 total cpu time spent up to now is 190.0 secs Computing kpt #: 121 total cpu time spent up to now is 191.3 secs Computing kpt #: 122 total cpu time spent up to now is 192.5 secs Computing kpt #: 123 total cpu time spent up to now is 193.8 secs Computing kpt #: 124 total cpu time spent up to now is 195.1 secs Computing kpt #: 125 total cpu time spent up to now is 196.4 secs Computing kpt #: 126 total cpu time spent up to now is 197.6 secs Computing kpt #: 127 total cpu time spent up to now is 198.8 secs Computing kpt #: 128 total cpu time spent up to now is 200.2 secs Computing kpt #: 129 total cpu time spent up to now is 201.4 secs Computing kpt #: 130 total cpu time spent up to now is 202.7 secs Computing kpt #: 131 total cpu time spent up to now is 203.9 secs Computing kpt #: 132 total cpu time spent up to now is 205.2 secs Computing kpt #: 133 total cpu time spent up to now is 206.4 secs Computing kpt #: 134 total cpu time spent up to now is 207.7 secs Computing kpt #: 135 total cpu time spent up to now is 208.9 secs Computing kpt #: 136 total cpu time spent up to now is 210.2 secs Computing kpt #: 137 total cpu time spent up to now is 211.5 secs Computing kpt #: 138 total cpu time spent up to now is 212.7 secs Computing kpt #: 139 total cpu time spent up to now is 213.8 secs Computing kpt #: 140 total cpu time spent up to now is 215.1 secs Computing kpt #: 141 total cpu time spent up to now is 216.4 secs Computing kpt #: 142 total cpu time spent up to now is 217.6 secs Computing kpt #: 143 total cpu time spent up to now is 218.8 secs Computing kpt #: 144 total cpu time spent up to now is 220.1 secs Computing kpt #: 145 total cpu time spent up to now is 221.3 secs Computing kpt #: 146 total cpu time spent up to now is 222.6 secs Computing kpt #: 147 total cpu time spent up to now is 223.9 secs Computing kpt #: 148 total cpu time spent up to now is 225.2 secs Computing kpt #: 149 total cpu time spent up to now is 226.4 secs Computing kpt #: 150 total cpu time spent up to now is 227.8 secs Computing kpt #: 151 total cpu time spent up to now is 229.1 secs Computing kpt #: 152 total cpu time spent up to now is 230.4 secs Computing kpt #: 153 total cpu time spent up to now is 231.6 secs Computing kpt #: 154 total cpu time spent up to now is 233.0 secs Computing kpt #: 155 total cpu time spent up to now is 234.3 secs Computing kpt #: 156 total cpu time spent up to now is 235.8 secs Computing kpt #: 157 total cpu time spent up to now is 237.4 secs Computing kpt #: 158 total cpu time spent up to now is 238.9 secs Computing kpt #: 159 total cpu time spent up to now is 240.3 secs Computing kpt #: 160 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 242.4 secs Computing kpt #: 161 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 244.5 secs Computing kpt #: 162 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 246.6 secs Computing kpt #: 163 total cpu time spent up to now is 248.3 secs Computing kpt #: 164 total cpu time spent up to now is 249.6 secs Computing kpt #: 165 total cpu time spent up to now is 251.1 secs Computing kpt #: 166 total cpu time spent up to now is 252.6 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 254.8 secs Computing kpt #: 168 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 256.9 secs Computing kpt #: 169 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 259.1 secs Computing kpt #: 170 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 261.2 secs Computing kpt #: 171 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 263.4 secs Computing kpt #: 172 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 265.5 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 267.7 secs Computing kpt #: 174 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 269.9 secs Computing kpt #: 175 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 272.0 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 274.2 secs Computing kpt #: 177 total cpu time spent up to now is 276.2 secs Computing kpt #: 178 total cpu time spent up to now is 278.2 secs Computing kpt #: 179 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 280.4 secs Computing kpt #: 180 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 282.5 secs Computing kpt #: 181 total cpu time spent up to now is 284.5 secs Computing kpt #: 182 total cpu time spent up to now is 286.6 secs Computing kpt #: 183 total cpu time spent up to now is 288.3 secs Computing kpt #: 184 total cpu time spent up to now is 290.3 secs Computing kpt #: 185 total cpu time spent up to now is 292.1 secs Computing kpt #: 186 total cpu time spent up to now is 293.5 secs Computing kpt #: 187 total cpu time spent up to now is 295.2 secs Computing kpt #: 188 total cpu time spent up to now is 296.6 secs Computing kpt #: 189 total cpu time spent up to now is 298.6 secs Computing kpt #: 190 total cpu time spent up to now is 300.6 secs Computing kpt #: 191 total cpu time spent up to now is 302.5 secs Computing kpt #: 192 total cpu time spent up to now is 304.1 secs Computing kpt #: 193 total cpu time spent up to now is 305.6 secs Computing kpt #: 194 total cpu time spent up to now is 307.2 secs Computing kpt #: 195 total cpu time spent up to now is 308.7 secs Computing kpt #: 196 total cpu time spent up to now is 310.6 secs Computing kpt #: 197 total cpu time spent up to now is 312.4 secs Computing kpt #: 198 total cpu time spent up to now is 314.1 secs Computing kpt #: 199 total cpu time spent up to now is 316.1 secs Computing kpt #: 200 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 318.3 secs Computing kpt #: 201 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 320.5 secs Computing kpt #: 202 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 322.7 secs Computing kpt #: 203 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 324.8 secs Computing kpt #: 204 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 327.0 secs Computing kpt #: 205 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 329.2 secs Computing kpt #: 206 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 331.4 secs Computing kpt #: 207 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 333.6 secs Computing kpt #: 208 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 335.8 secs Computing kpt #: 209 total cpu time spent up to now is 337.8 secs Computing kpt #: 210 total cpu time spent up to now is 339.8 secs Computing kpt #: 211 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 341.9 secs Computing kpt #: 212 total cpu time spent up to now is 343.7 secs Computing kpt #: 213 total cpu time spent up to now is 345.1 secs Computing kpt #: 214 total cpu time spent up to now is 346.5 secs Computing kpt #: 215 total cpu time spent up to now is 348.0 secs Computing kpt #: 216 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 350.2 secs Computing kpt #: 217 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 352.4 secs Computing kpt #: 218 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 354.7 secs Computing kpt #: 219 total cpu time spent up to now is 356.3 secs Computing kpt #: 220 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 358.5 secs Computing kpt #: 221 total cpu time spent up to now is 360.6 secs Computing kpt #: 222 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 363.1 secs Computing kpt #: 223 total cpu time spent up to now is 364.5 secs Computing kpt #: 224 total cpu time spent up to now is 365.9 secs Computing kpt #: 225 total cpu time spent up to now is 367.5 secs Computing kpt #: 226 total cpu time spent up to now is 368.9 secs Computing kpt #: 227 total cpu time spent up to now is 370.4 secs Computing kpt #: 228 total cpu time spent up to now is 371.7 secs Computing kpt #: 229 total cpu time spent up to now is 373.2 secs Computing kpt #: 230 total cpu time spent up to now is 374.8 secs Computing kpt #: 231 total cpu time spent up to now is 376.1 secs Computing kpt #: 232 total cpu time spent up to now is 377.3 secs Computing kpt #: 233 total cpu time spent up to now is 378.6 secs Computing kpt #: 234 total cpu time spent up to now is 380.3 secs Computing kpt #: 235 total cpu time spent up to now is 381.5 secs Computing kpt #: 236 total cpu time spent up to now is 383.6 secs Computing kpt #: 237 total cpu time spent up to now is 384.8 secs Computing kpt #: 238 total cpu time spent up to now is 386.5 secs Computing kpt #: 239 total cpu time spent up to now is 388.2 secs Computing kpt #: 240 total cpu time spent up to now is 389.5 secs Computing kpt #: 241 total cpu time spent up to now is 390.8 secs Computing kpt #: 242 total cpu time spent up to now is 392.5 secs Computing kpt #: 243 total cpu time spent up to now is 393.7 secs Computing kpt #: 244 total cpu time spent up to now is 395.0 secs Computing kpt #: 245 total cpu time spent up to now is 396.6 secs Computing kpt #: 246 total cpu time spent up to now is 397.9 secs Computing kpt #: 247 total cpu time spent up to now is 399.2 secs Computing kpt #: 248 total cpu time spent up to now is 400.5 secs Computing kpt #: 249 total cpu time spent up to now is 401.7 secs Computing kpt #: 250 total cpu time spent up to now is 403.0 secs Computing kpt #: 251 total cpu time spent up to now is 404.4 secs Computing kpt #: 252 total cpu time spent up to now is 405.7 secs Computing kpt #: 253 total cpu time spent up to now is 406.9 secs Computing kpt #: 254 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 409.1 secs Computing kpt #: 255 total cpu time spent up to now is 410.6 secs Computing kpt #: 256 total cpu time spent up to now is 411.9 secs Computing kpt #: 257 total cpu time spent up to now is 413.3 secs Computing kpt #: 258 total cpu time spent up to now is 414.6 secs Computing kpt #: 259 total cpu time spent up to now is 415.9 secs Computing kpt #: 260 total cpu time spent up to now is 417.1 secs Computing kpt #: 261 total cpu time spent up to now is 418.4 secs Computing kpt #: 262 total cpu time spent up to now is 419.7 secs Computing kpt #: 263 total cpu time spent up to now is 421.0 secs Computing kpt #: 264 total cpu time spent up to now is 422.7 secs Computing kpt #: 265 total cpu time spent up to now is 424.0 secs Computing kpt #: 266 total cpu time spent up to now is 425.3 secs Computing kpt #: 267 total cpu time spent up to now is 426.6 secs Computing kpt #: 268 total cpu time spent up to now is 428.0 secs Computing kpt #: 269 total cpu time spent up to now is 429.4 secs Computing kpt #: 270 total cpu time spent up to now is 431.2 secs Computing kpt #: 271 total cpu time spent up to now is 432.8 secs Computing kpt #: 272 total cpu time spent up to now is 434.3 secs Computing kpt #: 273 total cpu time spent up to now is 435.9 secs Computing kpt #: 274 total cpu time spent up to now is 437.4 secs Computing kpt #: 275 total cpu time spent up to now is 438.9 secs Computing kpt #: 276 total cpu time spent up to now is 440.6 secs Computing kpt #: 277 total cpu time spent up to now is 442.4 secs Computing kpt #: 278 total cpu time spent up to now is 443.6 secs Computing kpt #: 279 total cpu time spent up to now is 445.1 secs Computing kpt #: 280 total cpu time spent up to now is 446.5 secs Computing kpt #: 281 total cpu time spent up to now is 447.8 secs Computing kpt #: 282 total cpu time spent up to now is 449.3 secs Computing kpt #: 283 total cpu time spent up to now is 450.7 secs Computing kpt #: 284 total cpu time spent up to now is 452.0 secs Computing kpt #: 285 total cpu time spent up to now is 453.5 secs Computing kpt #: 286 total cpu time spent up to now is 454.8 secs Computing kpt #: 287 total cpu time spent up to now is 456.1 secs Computing kpt #: 288 total cpu time spent up to now is 457.7 secs Computing kpt #: 289 total cpu time spent up to now is 458.9 secs Computing kpt #: 290 total cpu time spent up to now is 460.3 secs Computing kpt #: 291 total cpu time spent up to now is 461.7 secs Computing kpt #: 292 total cpu time spent up to now is 463.2 secs Computing kpt #: 293 total cpu time spent up to now is 464.6 secs Computing kpt #: 294 total cpu time spent up to now is 465.9 secs Computing kpt #: 295 total cpu time spent up to now is 467.3 secs Computing kpt #: 296 total cpu time spent up to now is 468.6 secs Computing kpt #: 297 total cpu time spent up to now is 470.0 secs Computing kpt #: 298 total cpu time spent up to now is 471.3 secs Computing kpt #: 299 total cpu time spent up to now is 472.7 secs Computing kpt #: 300 total cpu time spent up to now is 474.2 secs Computing kpt #: 301 total cpu time spent up to now is 475.6 secs Computing kpt #: 302 total cpu time spent up to now is 476.8 secs Computing kpt #: 303 total cpu time spent up to now is 478.0 secs Computing kpt #: 304 total cpu time spent up to now is 480.0 secs Computing kpt #: 305 total cpu time spent up to now is 481.7 secs Computing kpt #: 306 total cpu time spent up to now is 483.7 secs Computing kpt #: 307 total cpu time spent up to now is 485.7 secs Computing kpt #: 308 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 487.8 secs Computing kpt #: 309 total cpu time spent up to now is 489.3 secs Computing kpt #: 310 total cpu time spent up to now is 490.9 secs Computing kpt #: 311 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 492.9 secs Computing kpt #: 312 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 495.0 secs Computing kpt #: 313 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 497.1 secs Computing kpt #: 314 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 499.2 secs Computing kpt #: 315 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 501.3 secs Computing kpt #: 316 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 503.5 secs Computing kpt #: 317 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 505.7 secs Computing kpt #: 318 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 507.8 secs Computing kpt #: 319 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 510.0 secs Computing kpt #: 320 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 512.0 secs Computing kpt #: 321 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 514.2 secs Computing kpt #: 322 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 516.3 secs Computing kpt #: 323 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 518.4 secs Computing kpt #: 324 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 520.6 secs Computing kpt #: 325 total cpu time spent up to now is 522.8 secs Computing kpt #: 326 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 525.1 secs Computing kpt #: 327 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 527.3 secs Computing kpt #: 328 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 529.5 secs Computing kpt #: 329 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 531.6 secs Computing kpt #: 330 total cpu time spent up to now is 533.6 secs Computing kpt #: 331 total cpu time spent up to now is 535.7 secs Computing kpt #: 332 total cpu time spent up to now is 537.8 secs Computing kpt #: 333 total cpu time spent up to now is 539.3 secs Computing kpt #: 334 total cpu time spent up to now is 540.9 secs Computing kpt #: 335 total cpu time spent up to now is 542.4 secs Computing kpt #: 336 total cpu time spent up to now is 543.8 secs Computing kpt #: 337 total cpu time spent up to now is 545.1 secs Computing kpt #: 338 total cpu time spent up to now is 546.5 secs Computing kpt #: 339 total cpu time spent up to now is 547.9 secs Computing kpt #: 340 total cpu time spent up to now is 549.2 secs Computing kpt #: 341 total cpu time spent up to now is 550.7 secs Computing kpt #: 342 total cpu time spent up to now is 552.2 secs Computing kpt #: 343 total cpu time spent up to now is 553.6 secs Computing kpt #: 344 total cpu time spent up to now is 555.0 secs Computing kpt #: 345 total cpu time spent up to now is 556.4 secs Computing kpt #: 346 total cpu time spent up to now is 557.8 secs Computing kpt #: 347 total cpu time spent up to now is 559.3 secs Computing kpt #: 348 total cpu time spent up to now is 560.7 secs Computing kpt #: 349 total cpu time spent up to now is 562.3 secs Computing kpt #: 350 total cpu time spent up to now is 564.1 secs Computing kpt #: 351 total cpu time spent up to now is 565.7 secs Computing kpt #: 352 total cpu time spent up to now is 567.3 secs Computing kpt #: 353 total cpu time spent up to now is 568.7 secs Computing kpt #: 354 total cpu time spent up to now is 570.2 secs Computing kpt #: 355 total cpu time spent up to now is 571.7 secs Computing kpt #: 356 total cpu time spent up to now is 573.2 secs Computing kpt #: 357 total cpu time spent up to now is 574.6 secs Computing kpt #: 358 total cpu time spent up to now is 576.2 secs Computing kpt #: 359 total cpu time spent up to now is 577.8 secs Computing kpt #: 360 total cpu time spent up to now is 579.2 secs Computing kpt #: 361 total cpu time spent up to now is 580.5 secs Computing kpt #: 362 total cpu time spent up to now is 581.9 secs Computing kpt #: 363 total cpu time spent up to now is 583.3 secs Computing kpt #: 364 total cpu time spent up to now is 584.8 secs Computing kpt #: 365 total cpu time spent up to now is 586.3 secs Computing kpt #: 366 total cpu time spent up to now is 587.7 secs Computing kpt #: 367 total cpu time spent up to now is 589.3 secs Computing kpt #: 368 total cpu time spent up to now is 590.4 secs Computing kpt #: 369 total cpu time spent up to now is 591.6 secs Computing kpt #: 370 total cpu time spent up to now is 593.6 secs Computing kpt #: 371 total cpu time spent up to now is 595.2 secs Computing kpt #: 372 total cpu time spent up to now is 596.7 secs Computing kpt #: 373 total cpu time spent up to now is 598.5 secs Computing kpt #: 374 total cpu time spent up to now is 599.7 secs Computing kpt #: 375 total cpu time spent up to now is 600.9 secs Computing kpt #: 376 total cpu time spent up to now is 602.1 secs Computing kpt #: 377 total cpu time spent up to now is 603.4 secs Computing kpt #: 378 total cpu time spent up to now is 604.6 secs Computing kpt #: 379 total cpu time spent up to now is 606.0 secs Computing kpt #: 380 total cpu time spent up to now is 607.3 secs Computing kpt #: 381 total cpu time spent up to now is 608.6 secs Computing kpt #: 382 total cpu time spent up to now is 609.9 secs ethr = 2.08E-08, avg # of iterations = 71.4 total cpu time spent up to now is 609.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2753 PWs) bands (ev): -28.5330 -28.5330 -28.4671 -28.4671 -11.2132 -11.2132 -9.7416 -9.7416 -9.6498 -9.6498 -9.3799 -9.3799 -9.3688 -9.3688 -9.3605 -9.3605 -9.1489 -9.1489 -7.2969 -7.2969 -7.0657 -7.0657 -6.1789 -6.1789 2.6285 2.6285 2.6374 2.6374 4.9145 4.9145 5.4658 5.4658 7.3241 7.3241 8.0033 8.0033 8.0222 8.0222 8.1379 8.1379 8.1661 8.1661 8.6596 8.6596 9.1682 9.1682 9.1937 9.1937 14.8942 14.8942 15.3715 15.3715 15.4216 15.4216 15.4843 15.4843 16.0227 16.0234 k = 0.0000 0.0000 0.0200 ( 2753 PWs) bands (ev): -28.5330 -28.5330 -28.4671 -28.4671 -11.2127 -11.2127 -9.7423 -9.7423 -9.6506 -9.6506 -9.3826 -9.3826 -9.3669 -9.3669 -9.3628 -9.3628 -9.1453 -9.1453 -7.2974 -7.2974 -7.0649 -7.0649 -6.1790 -6.1790 2.6278 2.6278 2.6379 2.6379 4.9144 4.9144 5.4682 5.4682 7.3206 7.3206 8.0016 8.0016 8.0209 8.0209 8.1364 8.1364 8.1657 8.1657 8.6634 8.6634 9.1663 9.1663 9.1919 9.1919 14.8975 14.8975 15.3738 15.3738 15.4163 15.4163 15.4863 15.4863 16.0261 16.0276 k = 0.0000 0.0000 0.0400 ( 2749 PWs) bands (ev): -28.5328 -28.5328 -28.4670 -28.4670 -11.2112 -11.2112 -9.7444 -9.7444 -9.6528 -9.6528 -9.3884 -9.3884 -9.3695 -9.3695 -9.3629 -9.3629 -9.1351 -9.1351 -7.2987 -7.2987 -7.0625 -7.0625 -6.1793 -6.1793 2.6215 2.6215 2.6433 2.6433 4.9140 4.9140 5.4754 5.4754 7.3102 7.3102 7.9945 7.9945 8.0189 8.0189 8.1268 8.1268 8.1700 8.1700 8.6745 8.6745 9.1598 9.1598 9.1874 9.1874 14.9074 14.9074 15.3805 15.3805 15.4010 15.4010 15.4924 15.4924 16.0320 16.0322 k = 0.0000 0.0000 0.0600 ( 2749 PWs) bands (ev): -28.5326 -28.5326 -28.4669 -28.4669 -11.2087 -11.2087 -9.7479 -9.7479 -9.6564 -9.6564 -9.3958 -9.3958 -9.3786 -9.3786 -9.3591 -9.3591 -9.1195 -9.1195 -7.3010 -7.3010 -7.0586 -7.0586 -6.1799 -6.1799 2.6090 2.6090 2.6544 2.6544 4.9133 4.9133 5.4872 5.4872 7.2934 7.2934 7.9794 7.9794 8.0189 8.0189 8.1056 8.1056 8.1831 8.1831 8.6916 8.6916 9.1472 9.1472 9.1819 9.1819 14.9237 14.9237 15.3775 15.3775 15.3917 15.3917 15.5025 15.5025 16.0403 16.0405 k = 0.0000 0.0000 0.0800 ( 2745 PWs) bands (ev): -28.5323 -28.5323 -28.4668 -28.4668 -11.2053 -11.2053 -9.7529 -9.7529 -9.6613 -9.6613 -9.4048 -9.4048 -9.3886 -9.3886 -9.3557 -9.3557 -9.0999 -9.0999 -7.3041 -7.3041 -7.0532 -7.0532 -6.1807 -6.1807 2.5912 2.5912 2.6705 2.6705 4.9124 4.9124 5.5036 5.5036 7.2711 7.2711 7.9567 7.9567 8.0207 8.0207 8.0758 8.0758 8.2029 8.2029 8.7131 8.7131 9.1275 9.1275 9.1765 9.1765 14.9462 14.9462 15.3485 15.3485 15.4068 15.4068 15.5166 15.5166 16.0517 16.0518 k = 0.0000 0.0000 0.1000 ( 2739 PWs) bands (ev): -28.5320 -28.5320 -28.4667 -28.4667 -11.2009 -11.2009 -9.7593 -9.7593 -9.6675 -9.6675 -9.4157 -9.4157 -9.3981 -9.3981 -9.3526 -9.3526 -9.0774 -9.0774 -7.3081 -7.3081 -7.0463 -7.0463 -6.1817 -6.1817 2.5686 2.5686 2.6912 2.6912 4.9112 4.9112 5.5242 5.5242 7.2441 7.2441 7.9270 7.9270 8.0239 8.0239 8.0402 8.0402 8.2276 8.2276 8.7376 8.7376 9.1015 9.1015 9.1709 9.1709 14.9745 14.9745 15.3159 15.3159 15.4257 15.4257 15.5346 15.5346 16.0663 16.0663 k = 0.0000 0.0000 0.1200 ( 2735 PWs) bands (ev): -28.5316 -28.5316 -28.4665 -28.4665 -11.1955 -11.1955 -9.7672 -9.7672 -9.6747 -9.6747 -9.4280 -9.4280 -9.4069 -9.4069 -9.3501 -9.3501 -9.0528 -9.0528 -7.3130 -7.3130 -7.0381 -7.0381 -6.1831 -6.1831 2.5414 2.5414 2.7165 2.7165 4.9098 4.9098 5.5489 5.5489 7.2132 7.2132 7.8909 7.8909 7.9998 7.9998 8.0284 8.0284 8.2558 8.2558 8.7639 8.7639 9.0696 9.0696 9.1649 9.1649 15.0081 15.0081 15.2814 15.2814 15.4482 15.4482 15.5565 15.5565 16.0839 16.0839 k = 0.0000 0.0000 0.1400 ( 2727 PWs) bands (ev): -28.5310 -28.5310 -28.4663 -28.4663 -11.1891 -11.1891 -9.7764 -9.7764 -9.6828 -9.6828 -9.4410 -9.4410 -9.4151 -9.4151 -9.3479 -9.3479 -9.0268 -9.0268 -7.3186 -7.3186 -7.0286 -7.0286 -6.1848 -6.1848 2.5100 2.5100 2.7464 2.7464 4.9082 4.9082 5.5772 5.5772 7.1792 7.1792 7.8488 7.8488 7.9565 7.9565 8.0335 8.0335 8.2868 8.2868 8.7910 8.7910 9.0327 9.0327 9.1583 9.1583 15.0467 15.0467 15.2464 15.2464 15.4738 15.4738 15.5823 15.5823 16.1047 16.1047 k = 0.0000 0.0000 0.1600 ( 2727 PWs) bands (ev): -28.5305 -28.5305 -28.4661 -28.4661 -11.1819 -11.1819 -9.7871 -9.7871 -9.6917 -9.6917 -9.4542 -9.4542 -9.4230 -9.4230 -9.3463 -9.3463 -8.9997 -8.9997 -7.3250 -7.3250 -7.0180 -7.0180 -6.1869 -6.1869 2.4748 2.4748 2.7806 2.7806 4.9064 4.9064 5.6089 5.6089 7.1428 7.1428 7.8010 7.8010 7.9109 7.9109 8.0397 8.0397 8.3196 8.3196 8.8182 8.8182 8.9913 8.9913 9.1509 9.1509 15.0895 15.0895 15.2116 15.2116 15.5023 15.5023 15.6117 15.6117 16.1286 16.1286 k = 0.0000 0.0000 0.1800 ( 2727 PWs) bands (ev): -28.5298 -28.5298 -28.4658 -28.4658 -11.1737 -11.1737 -9.7990 -9.7990 -9.7012 -9.7012 -9.4674 -9.4674 -9.4308 -9.4308 -9.3450 -9.3450 -8.9719 -8.9719 -7.3322 -7.3322 -7.0063 -7.0063 -6.1893 -6.1893 2.4360 2.4360 2.8192 2.8192 4.9044 4.9044 5.6437 5.6437 7.1045 7.1045 7.7480 7.7480 7.8636 7.8636 8.0467 8.0467 8.3538 8.3538 8.8450 8.8450 8.9463 8.9463 9.1428 9.1428 15.1359 15.1359 15.1779 15.1779 15.5333 15.5333 15.6447 15.6447 16.1554 16.1554 k = 0.0000 0.0000 0.2000 ( 2727 PWs) bands (ev): -28.5291 -28.5291 -28.4655 -28.4655 -11.1646 -11.1646 -9.8120 -9.8120 -9.7110 -9.7110 -9.4805 -9.4805 -9.4385 -9.4385 -9.3441 -9.3441 -8.9436 -8.9436 -7.3401 -7.3401 -6.9936 -6.9936 -6.1922 -6.1922 2.3941 2.3941 2.8620 2.8620 4.9024 4.9024 5.6811 5.6811 7.0648 7.0648 7.6902 7.6902 7.8152 7.8152 8.0545 8.0545 8.3886 8.3886 8.8687 8.8687 8.9003 8.9003 9.1340 9.1340 15.1457 15.1457 15.1852 15.1852 15.5667 15.5667 15.6813 15.6813 16.1851 16.1851 k = 0.0000 0.0000 0.2200 ( 2719 PWs) bands (ev): -28.5283 -28.5283 -28.4652 -28.4652 -11.1546 -11.1546 -9.8259 -9.8259 -9.7210 -9.7210 -9.4935 -9.4935 -9.4459 -9.4459 -9.3436 -9.3436 -8.9150 -8.9150 -7.3486 -7.3486 -6.9802 -6.9802 -6.1956 -6.1956 2.3494 2.3494 2.9090 2.9090 4.9002 4.9002 5.7208 5.7208 7.0242 7.0242 7.6279 7.6279 7.7662 7.7662 8.0633 8.0633 8.4237 8.4237 8.8424 8.8424 8.9005 8.9005 9.1245 9.1245 15.1157 15.1157 15.2367 15.2367 15.6023 15.6023 15.7213 15.7213 16.2177 16.2177 k = 0.0000 0.0000 0.2400 ( 2711 PWs) bands (ev): -28.5274 -28.5274 -28.4649 -28.4649 -11.1437 -11.1437 -9.8406 -9.8406 -9.7313 -9.7313 -9.5065 -9.5065 -9.4532 -9.4532 -9.3434 -9.3434 -8.8861 -8.8861 -7.3577 -7.3577 -6.9661 -6.9661 -6.1996 -6.1996 2.3022 2.3022 2.9600 2.9600 4.8980 4.8980 5.7624 5.7624 6.9830 6.9830 7.5615 7.5615 7.7170 7.7170 8.0729 8.0729 8.4587 8.4587 8.7894 8.7894 8.9242 8.9242 9.1143 9.1143 15.0880 15.0880 15.2895 15.2895 15.6401 15.6401 15.7647 15.7647 16.2531 16.2531 k = 0.0000 0.0000 0.2600 ( 2709 PWs) bands (ev): -28.5265 -28.5265 -28.4645 -28.4645 -11.1320 -11.1320 -9.8558 -9.8558 -9.7416 -9.7416 -9.5197 -9.5197 -9.4603 -9.4603 -9.3435 -9.3435 -8.8573 -8.8573 -7.3673 -7.3673 -6.9514 -6.9514 -6.2042 -6.2042 2.2528 2.2528 3.0150 3.0150 4.8958 4.8958 5.8057 5.8057 6.9414 6.9414 7.4916 7.4916 7.6678 7.6678 8.0834 8.0834 8.4932 8.4932 8.7337 8.7337 8.9476 8.9476 9.1035 9.1035 15.0628 15.0628 15.3427 15.3427 15.6804 15.6804 15.8112 15.8112 16.2910 16.2910 k = 0.0000 0.0000 0.2800 ( 2705 PWs) bands (ev): -28.5255 -28.5255 -28.4641 -28.4641 -11.1195 -11.1195 -9.8713 -9.8713 -9.7520 -9.7520 -9.5330 -9.5330 -9.4672 -9.4672 -9.3439 -9.3439 -8.8285 -8.8285 -7.3775 -7.3775 -6.9364 -6.9364 -6.2094 -6.2094 2.2015 2.2015 3.0738 3.0738 4.8937 4.8937 5.8501 5.8501 6.8997 6.8997 7.4186 7.4186 7.6191 7.6191 8.0948 8.0948 8.5271 8.5271 8.6766 8.6766 8.9700 8.9700 9.0922 9.0922 15.0404 15.0404 15.3955 15.3955 15.7231 15.7231 15.8608 15.8608 16.3315 16.3315 k = 0.0000 0.0000 0.3000 ( 2707 PWs) bands (ev): -28.5244 -28.5244 -28.4637 -28.4637 -11.1063 -11.1063 -9.8869 -9.8869 -9.7623 -9.7623 -9.5466 -9.5466 -9.4739 -9.4739 -9.3446 -9.3446 -8.7999 -8.7999 -7.3881 -7.3881 -6.9211 -6.9211 -6.2154 -6.2154 2.1487 2.1487 3.1363 3.1363 4.8917 4.8917 5.8954 5.8954 6.8580 6.8580 7.3428 7.3428 7.5709 7.5709 8.1070 8.1070 8.5599 8.5599 8.6185 8.6185 8.9911 8.9911 9.0804 9.0804 15.0209 15.0209 15.4469 15.4469 15.7686 15.7686 15.9132 15.9132 16.3742 16.3742 k = 0.0000 0.0000 0.3200 ( 2707 PWs) bands (ev): -28.5233 -28.5233 -28.4633 -28.4633 -11.0922 -11.0922 -9.9025 -9.9025 -9.7725 -9.7725 -9.5604 -9.5604 -9.4805 -9.4805 -9.3455 -9.3455 -8.7714 -8.7714 -7.3992 -7.3992 -6.9058 -6.9058 -6.2222 -6.2222 2.0945 2.0945 3.2024 3.2024 4.8899 4.8899 5.9412 5.9412 6.8165 6.8165 7.2650 7.2650 7.5236 7.5236 8.1202 8.1202 8.5600 8.5600 8.5918 8.5918 9.0108 9.0108 9.0685 9.0685 15.0044 15.0044 15.4963 15.4963 15.8171 15.8171 15.9684 15.9684 16.4189 16.4189 k = 0.0000 0.0000 0.3400 ( 2711 PWs) bands (ev): -28.5221 -28.5221 -28.4628 -28.4628 -11.0774 -11.0774 -9.9178 -9.9178 -9.7827 -9.7827 -9.5745 -9.5745 -9.4869 -9.4869 -9.3466 -9.3466 -8.7432 -8.7432 -7.4106 -7.4106 -6.8905 -6.8905 -6.2298 -6.2298 2.0393 2.0393 3.2719 3.2719 4.8883 4.8883 5.9870 5.9870 6.7754 6.7754 7.1856 7.1856 7.4772 7.4772 8.1343 8.1343 8.5016 8.5016 8.6221 8.6221 9.0277 9.0277 9.0578 9.0578 14.9911 14.9911 15.5430 15.5430 15.8685 15.8685 16.0262 16.0262 16.4655 16.4655 k = 0.0000 0.0000 0.3600 ( 2711 PWs) bands (ev): -28.5209 -28.5209 -28.4624 -28.4624 -11.0620 -11.0620 -9.9328 -9.9328 -9.7926 -9.7926 -9.5888 -9.5888 -9.4932 -9.4932 -9.3478 -9.3478 -8.7153 -8.7153 -7.4223 -7.4223 -6.8754 -6.8754 -6.2383 -6.2383 1.9831 1.9831 3.3446 3.3446 4.8871 4.8871 6.0322 6.0322 6.7347 6.7347 7.1054 7.1054 7.4321 7.4321 8.1493 8.1493 8.4435 8.4435 8.6510 8.6510 9.0332 9.0332 9.0570 9.0570 14.9810 14.9810 15.5866 15.5866 15.9227 15.9227 16.0865 16.0865 16.5139 16.5139 k = 0.0000 0.0000 0.3800 ( 2715 PWs) bands (ev): -28.5197 -28.5197 -28.4619 -28.4619 -11.0459 -11.0459 -9.9472 -9.9472 -9.8024 -9.8024 -9.6034 -9.6034 -9.4994 -9.4994 -9.3493 -9.3493 -8.6878 -8.6878 -7.4342 -7.4342 -6.8606 -6.8606 -6.2479 -6.2479 1.9264 1.9264 3.4205 3.4205 4.8862 4.8862 6.0763 6.0763 6.6946 6.6946 7.0252 7.0252 7.3883 7.3883 8.1653 8.1653 8.3863 8.3863 8.6784 8.6784 9.0232 9.0232 9.0702 9.0702 14.9740 14.9740 15.6270 15.6270 15.9793 15.9793 16.1490 16.1490 16.5635 16.5635 k = 0.0000 0.0000 0.4000 ( 2719 PWs) bands (ev): -28.5184 -28.5184 -28.4614 -28.4614 -11.0291 -11.0291 -9.9611 -9.9611 -9.8120 -9.8120 -9.6181 -9.6181 -9.5055 -9.5055 -9.3509 -9.3509 -8.6606 -8.6606 -7.4464 -7.4464 -6.8463 -6.8463 -6.2585 -6.2585 1.8691 1.8691 3.4994 3.4994 4.8859 4.8859 6.1182 6.1182 6.6551 6.6551 6.9461 6.9461 7.3460 7.3460 8.1822 8.1822 8.3301 8.3301 8.7041 8.7041 9.0099 9.0099 9.0854 9.0854 14.9703 14.9703 15.6642 15.6642 16.0377 16.0377 16.2137 16.2137 16.6143 16.6143 k = 0.0000 0.0000 0.4200 ( 2719 PWs) bands (ev): -28.5170 -28.5170 -28.4609 -28.4609 -11.0118 -11.0118 -9.9743 -9.9743 -9.8212 -9.8212 -9.6330 -9.6330 -9.5116 -9.5116 -9.3525 -9.3525 -8.6339 -8.6339 -7.4587 -7.4587 -6.8326 -6.8326 -6.2702 -6.2702 1.8116 1.8116 3.5810 3.5810 4.8861 4.8861 6.1565 6.1565 6.6163 6.6163 6.8697 6.8697 7.3052 7.3052 8.2000 8.2000 8.2754 8.2754 8.7281 8.7281 8.9956 8.9956 9.1003 9.1003 14.9698 14.9698 15.6982 15.6982 16.0972 16.0972 16.2802 16.2802 16.6658 16.6658 k = 0.0000 0.0000 0.4400 ( 2723 PWs) bands (ev): -28.5156 -28.5156 -28.4604 -28.4604 -10.9940 -10.9940 -9.9867 -9.9867 -9.8303 -9.8303 -9.6480 -9.6480 -9.5175 -9.5175 -9.3543 -9.3543 -8.6076 -8.6076 -7.4711 -7.4711 -6.8196 -6.8196 -6.2831 -6.2831 1.7539 1.7539 3.6653 3.6653 4.8870 4.8870 6.1889 6.1889 6.5783 6.5783 6.7984 6.7984 7.2660 7.2660 8.2187 8.2187 8.2222 8.2222 8.7503 8.7503 8.9809 8.9809 9.1146 9.1146 14.9723 14.9723 15.7292 15.7292 16.1572 16.1572 16.3485 16.3485 16.7176 16.7176 k = 0.0000 0.0000 0.4600 ( 2721 PWs) bands (ev): -28.5142 -28.5142 -28.4598 -28.4598 -10.9756 -10.9756 -9.9983 -9.9983 -9.8390 -9.8390 -9.6630 -9.6630 -9.5234 -9.5234 -9.3562 -9.3562 -8.5817 -8.5817 -7.4836 -7.4836 -6.8074 -6.8074 -6.2972 -6.2972 1.6962 1.6962 3.7521 3.7521 4.8886 4.8886 6.2119 6.2119 6.5411 6.5411 6.7362 6.7362 7.2284 7.2284 8.1710 8.1710 8.2385 8.2385 8.7707 8.7707 8.9657 8.9657 9.1282 9.1282 14.9780 14.9780 15.7572 15.7572 16.2169 16.2169 16.4183 16.4183 16.7694 16.7694 k = 0.0000 0.0000 0.4800 ( 2721 PWs) bands (ev): -28.5128 -28.5128 -28.4593 -28.4593 -10.9568 -10.9568 -10.0090 -10.0090 -9.8475 -9.8475 -9.6778 -9.6778 -9.5293 -9.5293 -9.3581 -9.3581 -8.5562 -8.5562 -7.4962 -7.4962 -6.7961 -6.7961 -6.3126 -6.3126 1.6387 1.6387 3.8412 3.8412 4.8911 4.8911 6.2202 6.2202 6.5047 6.5047 6.6883 6.6883 7.1925 7.1925 8.1218 8.1218 8.2592 8.2592 8.7892 8.7892 8.9503 8.9503 9.1412 9.1412 14.9867 14.9867 15.7820 15.7820 16.2758 16.2758 16.4896 16.4896 16.8204 16.8204 k = 0.0000 0.0000 0.5001 ( 2720 PWs) bands (ev): -28.5113 -28.5113 -28.4587 -28.4587 -10.9375 -10.9375 -10.0189 -10.0189 -9.8558 -9.8558 -9.6925 -9.6925 -9.5351 -9.5351 -9.3602 -9.3602 -8.5313 -8.5313 -7.5087 -7.5087 -6.7859 -6.7859 -6.3293 -6.3293 1.5813 1.5813 3.9324 3.9324 4.8945 4.8945 6.2085 6.2085 6.4692 6.4692 6.6603 6.6603 7.1583 7.1583 8.0749 8.0749 8.2809 8.2809 8.8060 8.8060 8.9347 8.9347 9.1537 9.1537 14.9982 14.9982 15.8036 15.8036 16.3331 16.3331 16.5620 16.5620 16.8701 16.8701 k = 0.0000 0.0000 0.5201 ( 2726 PWs) bands (ev): -28.5098 -28.5098 -28.4582 -28.4582 -10.9179 -10.9179 -10.0279 -10.0279 -9.8639 -9.8639 -9.7068 -9.7068 -9.5408 -9.5408 -9.3623 -9.3623 -8.5068 -8.5068 -7.5211 -7.5211 -6.7767 -6.7767 -6.3473 -6.3473 1.5243 1.5243 4.0254 4.0254 4.8990 4.8990 6.1752 6.1752 6.4346 6.4346 6.6539 6.6539 7.1257 7.1257 8.0304 8.0304 8.3035 8.3035 8.8210 8.8210 8.9188 8.9188 9.1656 9.1656 15.0125 15.0125 15.8217 15.8217 16.3885 16.3885 16.6354 16.6354 16.9178 16.9178 k = 0.0000 0.0000 0.5401 ( 2726 PWs) bands (ev): -28.5083 -28.5083 -28.4576 -28.4576 -10.8980 -10.8980 -10.0360 -10.0360 -9.8719 -9.8719 -9.7206 -9.7206 -9.5464 -9.5464 -9.3644 -9.3644 -8.4828 -8.4828 -7.5335 -7.5335 -6.7687 -6.7687 -6.3667 -6.3667 1.4677 1.4677 4.1203 4.1203 4.9046 4.9046 6.1240 6.1240 6.4009 6.4009 6.6656 6.6656 7.0947 7.0947 7.9884 7.9884 8.3271 8.3271 8.8342 8.8342 8.9028 8.9028 9.1772 9.1772 15.0294 15.0294 15.8360 15.8360 16.4413 16.4413 16.7095 16.7095 16.9627 16.9627 k = 0.0000 0.0000 0.5601 ( 2722 PWs) bands (ev): -28.5068 -28.5068 -28.4570 -28.4570 -10.8778 -10.8778 -10.0431 -10.0431 -9.8799 -9.8799 -9.7336 -9.7336 -9.5520 -9.5520 -9.3667 -9.3667 -8.4592 -8.4592 -7.5457 -7.5457 -6.7619 -6.7619 -6.3875 -6.3875 1.4116 1.4116 4.2166 4.2166 4.9114 4.9114 6.0608 6.0608 6.3682 6.3682 6.6897 6.6897 7.0653 7.0653 7.9489 7.9489 8.3517 8.3517 8.8457 8.8457 8.8866 8.8866 9.1885 9.1885 15.0488 15.0488 15.8461 15.8461 16.4913 16.4913 16.7843 16.7843 17.0040 17.0040 k = 0.0000 0.0000 0.5801 ( 2720 PWs) bands (ev): -28.5052 -28.5052 -28.4564 -28.4564 -10.8573 -10.8573 -10.0493 -10.0493 -9.8881 -9.8881 -9.7457 -9.7457 -9.5574 -9.5574 -9.3689 -9.3689 -8.4360 -8.4360 -7.5578 -7.5578 -6.7564 -6.7564 -6.4097 -6.4097 1.3560 1.3560 4.3143 4.3143 4.9195 4.9195 5.9907 5.9907 6.3365 6.3365 6.7213 6.7213 7.0373 7.0373 7.9122 7.9122 8.3772 8.3772 8.8556 8.8556 8.8703 8.8703 9.1997 9.1997 15.0704 15.0704 15.8517 15.8517 16.5382 16.5382 16.8595 16.8595 17.0410 17.0410 k = 0.0000 0.0000 0.6001 ( 2720 PWs) bands (ev): -28.5037 -28.5037 -28.4558 -28.4558 -10.8367 -10.8367 -10.0547 -10.0547 -9.8965 -9.8965 -9.7567 -9.7567 -9.5628 -9.5628 -9.3713 -9.3713 -8.4133 -8.4133 -7.5698 -7.5698 -6.7522 -6.7522 -6.4333 -6.4333 1.3010 1.3010 4.4131 4.4131 4.9289 4.9289 5.9168 5.9168 6.3057 6.3057 6.7574 6.7574 7.0108 7.0108 7.8781 7.8781 8.4035 8.4035 8.8540 8.8540 8.8639 8.8639 9.2107 9.2107 15.0941 15.0941 15.8524 15.8524 16.5820 16.5820 16.9347 16.9347 17.0729 17.0729 k = 0.0000 0.0000 0.6201 ( 2714 PWs) bands (ev): -28.5021 -28.5021 -28.4553 -28.4553 -10.8159 -10.8159 -10.0592 -10.0592 -9.9054 -9.9054 -9.7663 -9.7663 -9.5680 -9.5680 -9.3737 -9.3737 -8.3909 -8.3909 -7.5815 -7.5815 -6.7493 -6.7493 -6.4583 -6.4583 1.2467 1.2467 4.5128 4.5128 4.9398 4.9398 5.8414 5.8414 6.2760 6.2760 6.7959 6.7959 6.9854 6.9854 7.8469 7.8469 8.4307 8.4307 8.8378 8.8378 8.8707 8.8707 9.2217 9.2217 15.1198 15.1198 15.8480 15.8480 16.6227 16.6227 17.0100 17.0100 17.0995 17.0995 k = 0.0000 0.0000 0.6401 ( 2718 PWs) bands (ev): -28.5006 -28.5006 -28.4547 -28.4547 -10.7950 -10.7950 -10.0631 -10.0631 -9.9147 -9.9147 -9.7743 -9.7743 -9.5731 -9.5731 -9.3762 -9.3762 -8.3690 -8.3690 -7.5930 -7.5930 -6.7478 -6.7478 -6.4847 -6.4847 1.1931 1.1931 4.6131 4.6131 4.9522 4.9522 5.7655 5.7655 6.2472 6.2472 6.8358 6.8358 6.9613 6.9613 7.8183 7.8183 8.4585 8.4585 8.8217 8.8217 8.8761 8.8761 9.2327 9.2327 15.1471 15.1471 15.8381 15.8381 16.6606 16.6606 17.0848 17.0848 17.1208 17.1208 k = 0.0000 0.0000 0.6601 ( 2718 PWs) bands (ev): -28.4990 -28.4990 -28.4541 -28.4541 -10.7740 -10.7740 -10.0662 -10.0662 -9.9247 -9.9247 -9.7807 -9.7807 -9.5781 -9.5781 -9.3787 -9.3787 -8.3475 -8.3475 -7.6043 -7.6043 -6.7476 -6.7476 -6.5124 -6.5124 1.1403 1.1403 4.7140 4.7140 4.9662 4.9662 5.6901 5.6901 6.2194 6.2194 6.8762 6.8762 6.9383 6.9383 7.7925 7.7925 8.4869 8.4869 8.8060 8.8060 8.8801 8.8801 9.2440 9.2440 15.1760 15.1760 15.8229 15.8229 16.6961 16.6961 17.1363 17.1363 17.1596 17.1596 k = 0.0000 0.0000 0.6801 ( 2718 PWs) bands (ev): -28.4975 -28.4975 -28.4536 -28.4536 -10.7531 -10.7531 -10.0687 -10.0687 -9.9351 -9.9351 -9.7853 -9.7853 -9.5828 -9.5828 -9.3813 -9.3813 -8.3263 -8.3263 -7.6153 -7.6153 -6.7488 -6.7488 -6.5414 -6.5414 1.0882 1.0882 4.8150 4.8150 4.9817 4.9817 5.6158 5.6158 6.1927 6.1927 6.9106 6.9106 6.9224 6.9224 7.7695 7.7695 8.5155 8.5155 8.7910 8.7910 8.8829 8.8829 9.2556 9.2556 15.2062 15.2062 15.8025 15.8025 16.7297 16.7297 17.1478 17.1478 17.2328 17.2328 k = 0.0000 0.0000 0.7001 ( 2716 PWs) bands (ev): -28.4960 -28.4960 -28.4530 -28.4530 -10.7321 -10.7321 -10.0707 -10.0707 -9.9459 -9.9459 -9.7882 -9.7882 -9.5874 -9.5874 -9.3839 -9.3839 -8.3054 -8.3054 -7.6260 -7.6260 -6.7512 -6.7512 -6.5717 -6.5717 1.0370 1.0370 4.9161 4.9161 4.9989 4.9989 5.5430 5.5430 6.1669 6.1669 6.8932 6.8932 6.9588 6.9588 7.7491 7.7491 8.5437 8.5437 8.7771 8.7771 8.8846 8.8846 9.2675 9.2675 15.2375 15.2375 15.7771 15.7771 16.7619 16.7619 17.1549 17.1549 17.3050 17.3050 k = 0.0000 0.0000 0.7201 ( 2716 PWs) bands (ev): -28.4945 -28.4945 -28.4524 -28.4524 -10.7113 -10.7113 -10.0723 -10.0723 -9.9569 -9.9569 -9.7894 -9.7894 -9.5918 -9.5918 -9.3867 -9.3867 -8.2849 -8.2849 -7.6364 -7.6364 -6.7550 -6.7550 -6.6031 -6.6031 0.9866 0.9866 5.0161 5.0161 5.0185 5.0185 5.4721 5.4721 6.1421 6.1421 6.8723 6.8723 6.9989 6.9989 7.7313 7.7313 8.5705 8.5705 8.7654 8.7654 8.8852 8.8852 9.2799 9.2799 15.2698 15.2698 15.7473 15.7473 16.7932 16.7932 17.1580 17.1580 17.3756 17.3756 k = 0.0000 0.0000 0.7401 ( 2708 PWs) bands (ev): -28.4930 -28.4930 -28.4519 -28.4519 -10.6906 -10.6906 -10.0738 -10.0738 -9.9678 -9.9678 -9.7891 -9.7891 -9.5959 -9.5959 -9.3894 -9.3894 -8.2647 -8.2647 -7.6465 -7.6465 -6.7600 -6.7600 -6.6357 -6.6357 0.9371 0.9371 5.0381 5.0381 5.1173 5.1173 5.4032 5.4032 6.1183 6.1183 6.8516 6.8516 7.0386 7.0386 7.7161 7.7161 8.5940 8.5940 8.7579 8.7579 8.8849 8.8849 9.2928 9.2928 15.3027 15.3027 15.7135 15.7135 16.8240 16.8240 17.1577 17.1577 17.4435 17.4450 k = 0.0000 0.0000 0.7601 ( 2712 PWs) bands (ev): -28.4915 -28.4915 -28.4513 -28.4513 -10.6700 -10.6700 -10.0754 -10.0754 -9.9783 -9.9783 -9.7874 -9.7874 -9.5998 -9.5998 -9.3923 -9.3923 -8.2447 -8.2447 -7.6563 -7.6563 -6.7662 -6.7662 -6.6693 -6.6693 0.8886 0.8886 5.0602 5.0602 5.2168 5.2168 5.3368 5.3368 6.0956 6.0956 6.8311 6.8311 7.0777 7.0777 7.7033 7.7033 8.6110 8.6110 8.7575 8.7575 8.8837 8.8837 9.3062 9.3062 15.3361 15.3361 15.6762 15.6762 16.8544 16.8544 17.1543 17.1543 17.4829 17.4834 k = 0.0000 0.0000 0.7801 ( 2714 PWs) bands (ev): -28.4901 -28.4901 -28.4508 -28.4508 -10.6497 -10.6497 -10.0774 -10.0774 -9.9879 -9.9879 -9.7845 -9.7845 -9.6034 -9.6034 -9.3952 -9.3952 -8.2249 -8.2249 -7.6657 -7.6657 -6.7736 -6.7736 -6.7039 -6.7039 0.8411 0.8411 5.0839 5.0839 5.2714 5.2714 5.3167 5.3167 6.0737 6.0737 6.8107 6.8107 7.1161 7.1161 7.6928 7.6928 8.6185 8.6185 8.7673 8.7673 8.8818 8.8818 9.3203 9.3203 15.3697 15.3697 15.6362 15.6362 16.8847 16.8847 17.1479 17.1479 17.4940 17.4940 k = 0.0000 0.0000 0.8001 ( 2712 PWs) bands (ev): -28.4887 -28.4887 -28.4503 -28.4503 -10.6297 -10.6297 -10.0801 -10.0801 -9.9964 -9.9964 -9.7803 -9.7803 -9.6066 -9.6066 -9.3983 -9.3983 -8.2053 -8.2053 -7.6748 -7.6748 -6.7823 -6.7823 -6.7390 -6.7390 0.7947 0.7947 5.1093 5.1093 5.2104 5.2104 5.4136 5.4136 6.0529 6.0529 6.7901 6.7901 7.1537 7.1537 7.6845 7.6845 8.6162 8.6162 8.7875 8.7875 8.8792 8.8792 9.3351 9.3351 15.4035 15.4035 15.5940 15.5940 16.9150 16.9150 17.1388 17.1388 17.5032 17.5032 k = 0.0000 0.0000 0.8201 ( 2708 PWs) bands (ev): -28.4873 -28.4873 -28.4498 -28.4498 -10.6100 -10.6100 -10.0839 -10.0839 -10.0032 -10.0032 -9.7752 -9.7752 -9.6096 -9.6096 -9.4014 -9.4014 -8.1859 -8.1859 -7.6835 -7.6835 -6.7931 -6.7931 -6.7738 -6.7738 0.7493 0.7493 5.1362 5.1362 5.1514 5.1514 5.5096 5.5096 6.0331 6.0331 6.7693 6.7693 7.1903 7.1903 7.6784 7.6784 8.6070 8.6070 8.8151 8.8151 8.8761 8.8761 9.3506 9.3506 15.4372 15.4372 15.5504 15.5504 16.9451 16.9451 17.1271 17.1271 17.5104 17.5104 k = 0.0000 0.0000 0.8401 ( 2712 PWs) bands (ev): -28.4860 -28.4860 -28.4493 -28.4493 -10.5907 -10.5907 -10.0890 -10.0890 -10.0081 -10.0081 -9.7692 -9.7692 -9.6122 -9.6122 -9.4047 -9.4047 -8.1666 -8.1666 -7.6918 -7.6918 -6.8163 -6.8163 -6.7976 -6.7976 0.7052 0.7052 5.0951 5.0951 5.1646 5.1646 5.6040 5.6040 6.0142 6.0142 6.7482 6.7482 7.2261 7.2261 7.6741 7.6741 8.5937 8.5937 8.8471 8.8471 8.8728 8.8728 9.3668 9.3668 15.4705 15.4705 15.5057 15.5057 16.9751 16.9751 17.1128 17.1128 17.5153 17.5153 k = 0.0000 0.0000 0.8601 ( 2708 PWs) bands (ev): -28.4847 -28.4847 -28.4488 -28.4488 -10.5718 -10.5718 -10.0953 -10.0953 -10.0112 -10.0112 -9.7624 -9.7624 -9.6144 -9.6144 -9.4081 -9.4081 -8.1475 -8.1475 -7.6998 -7.6998 -6.8521 -6.8521 -6.8101 -6.8101 0.6622 0.6622 5.0415 5.0415 5.1944 5.1944 5.6965 5.6965 5.9963 5.9963 6.7265 6.7265 7.2608 7.2608 7.6716 7.6716 8.5779 8.5779 8.8674 8.8674 8.8837 8.8837 9.3836 9.3836 15.4603 15.4603 15.5037 15.5037 17.0049 17.0049 17.0962 17.0962 17.5178 17.5178 k = 0.0000 0.0000 0.8801 ( 2708 PWs) bands (ev): -28.4834 -28.4834 -28.4484 -28.4484 -10.5535 -10.5535 -10.1026 -10.1026 -10.0125 -10.0125 -9.7549 -9.7549 -9.6162 -9.6162 -9.4116 -9.4116 -8.1284 -8.1284 -7.7073 -7.7073 -6.8897 -6.8897 -6.8219 -6.8219 0.6206 0.6206 4.9906 4.9906 5.2257 5.2257 5.7868 5.7868 5.9793 5.9793 6.7042 6.7042 7.2944 7.2944 7.6707 7.6707 8.5606 8.5606 8.8637 8.8637 8.9199 8.9199 9.4011 9.4011 15.4150 15.4150 15.5360 15.5360 17.0343 17.0343 17.0774 17.0774 17.5176 17.5176 k = 0.0000 0.0000 0.9001 ( 2708 PWs) bands (ev): -28.4822 -28.4822 -28.4480 -28.4480 -10.5358 -10.5358 -10.1105 -10.1105 -10.0126 -10.0126 -9.7470 -9.7470 -9.6175 -9.6175 -9.4152 -9.4152 -8.1094 -8.1094 -7.7145 -7.7145 -6.9279 -6.9279 -6.8339 -6.8339 0.5804 0.5804 4.9426 4.9426 5.2582 5.2582 5.8746 5.8746 5.9634 5.9634 6.6812 6.6812 7.3270 7.3270 7.6712 7.6712 8.5425 8.5425 8.8593 8.8593 8.9577 8.9577 9.4192 9.4192 15.3700 15.3700 15.5676 15.5676 17.0561 17.0561 17.0634 17.0634 17.5149 17.5149 k = 0.0000 0.0000 0.9201 ( 2700 PWs) bands (ev): -28.4810 -28.4810 -28.4475 -28.4475 -10.5187 -10.5187 -10.1187 -10.1187 -10.0117 -10.0117 -9.7386 -9.7386 -9.6184 -9.6184 -9.4190 -9.4190 -8.0905 -8.0905 -7.7213 -7.7213 -6.9663 -6.9663 -6.8462 -6.8462 0.5416 0.5416 4.8974 4.8974 5.2920 5.2920 5.9459 5.9459 5.9623 5.9623 6.6574 6.6574 7.3584 7.3584 7.6730 7.6730 8.5237 8.5237 8.8547 8.8547 8.9962 8.9962 9.4378 9.4378 15.3258 15.3258 15.5984 15.5984 17.0331 17.0331 17.0914 17.0914 17.5098 17.5098 k = 0.0000 0.0000 0.9401 ( 2704 PWs) bands (ev): -28.4799 -28.4799 -28.4471 -28.4471 -10.5024 -10.5024 -10.1269 -10.1269 -10.0101 -10.0101 -9.7301 -9.7301 -9.6188 -9.6188 -9.4229 -9.4229 -8.0716 -8.0716 -7.7276 -7.7276 -7.0047 -7.0047 -6.8588 -6.8588 0.5043 0.5043 4.8550 4.8550 5.3269 5.3269 5.9335 5.9335 6.0429 6.0429 6.6328 6.6328 7.3887 7.3887 7.6757 7.6757 8.5045 8.5045 8.8499 8.8499 9.0349 9.0349 9.4568 9.4568 15.2827 15.2827 15.6280 15.6280 17.0081 17.0081 17.1188 17.1188 17.5022 17.5022 k = 0.0000 0.0000 0.9601 ( 2712 PWs) bands (ev): -28.4789 -28.4789 -28.4468 -28.4468 -10.4869 -10.4869 -10.1348 -10.1348 -10.0080 -10.0080 -9.7215 -9.7215 -9.6186 -9.6186 -9.4271 -9.4271 -8.0527 -8.0527 -7.7336 -7.7336 -7.0431 -7.0431 -6.8714 -6.8714 0.4687 0.4687 4.8154 4.8154 5.3627 5.3627 5.9203 5.9203 6.1221 6.1221 6.6072 6.6072 7.4177 7.4177 7.6793 7.6793 8.4851 8.4851 8.8451 8.8451 9.0736 9.0736 9.4760 9.4760 15.2409 15.2409 15.6564 15.6564 16.9815 16.9815 17.1450 17.1450 17.4928 17.4928 k = 0.0000 0.0000 0.9801 ( 2724 PWs) bands (ev): -28.4779 -28.4779 -28.4464 -28.4464 -10.4724 -10.4724 -10.1423 -10.1423 -10.0057 -10.0057 -9.7129 -9.7129 -9.6177 -9.6177 -9.4314 -9.4314 -8.0339 -8.0339 -7.7391 -7.7391 -7.0812 -7.0812 -6.8841 -6.8841 0.4349 0.4349 4.7785 4.7785 5.3994 5.3994 5.9080 5.9080 6.1980 6.1980 6.5808 6.5808 7.4454 7.4454 7.6836 7.6836 8.4657 8.4657 8.8404 8.8404 9.1119 9.1119 9.4954 9.4954 15.2008 15.2008 15.6836 15.6836 16.9535 16.9535 17.1700 17.1700 17.4816 17.4816 k = 0.0000 0.0000 1.0001 ( 2724 PWs) bands (ev): -28.4770 -28.4770 -28.4461 -28.4461 -10.4588 -10.4588 -10.1491 -10.1491 -10.0032 -10.0032 -9.7046 -9.7046 -9.6161 -9.6161 -9.4359 -9.4359 -8.0151 -8.0151 -7.7442 -7.7442 -7.1189 -7.1189 -6.8965 -6.8965 0.4028 0.4028 4.7444 4.7444 5.4368 5.4368 5.8965 5.8965 6.2703 6.2703 6.5535 6.5535 7.4718 7.4718 7.6882 7.6882 8.4463 8.4463 8.8357 8.8357 9.1494 9.1494 9.5148 9.5148 15.1626 15.1626 15.7093 15.7093 16.9247 16.9247 17.1936 17.1936 17.4694 17.4694 k = 0.0000 0.0000 1.0201 ( 2724 PWs) bands (ev): -28.4761 -28.4761 -28.4458 -28.4458 -10.4464 -10.4464 -10.1551 -10.1551 -10.0006 -10.0006 -9.6968 -9.6968 -9.6136 -9.6136 -9.4405 -9.4405 -7.9963 -7.9963 -7.7488 -7.7488 -7.1559 -7.1559 -6.9087 -6.9087 0.3727 0.3727 4.7131 4.7131 5.4748 5.4748 5.8859 5.8859 6.3388 6.3388 6.5253 6.5253 7.4969 7.4969 7.6932 7.6932 8.4272 8.4272 8.8312 8.8312 9.1860 9.1860 9.5339 9.5339 15.1265 15.1265 15.7335 15.7335 16.8953 16.8953 17.2154 17.2154 17.4565 17.4565 k = 0.0000 0.0000 1.0401 ( 2724 PWs) bands (ev): -28.4753 -28.4753 -28.4455 -28.4455 -10.4350 -10.4350 -10.1604 -10.1604 -9.9981 -9.9981 -9.6895 -9.6895 -9.6103 -9.6103 -9.4453 -9.4453 -7.9777 -7.9777 -7.7529 -7.7529 -7.1922 -7.1922 -6.9205 -6.9205 0.3446 0.3446 4.6844 4.6844 5.5131 5.5131 5.8761 5.8761 6.4032 6.4032 6.4964 6.4964 7.5205 7.5205 7.6982 7.6982 8.4085 8.4085 8.8269 8.8269 9.2212 9.2212 9.5526 9.5526 15.0927 15.0927 15.7562 15.7562 16.8658 16.8658 17.2352 17.2352 17.4434 17.4434 k = 0.0000 0.0000 1.0601 ( 2722 PWs) bands (ev): -28.4745 -28.4745 -28.4452 -28.4452 -10.4249 -10.4249 -10.1648 -10.1648 -9.9957 -9.9957 -9.6831 -9.6831 -9.6060 -9.6060 -9.4504 -9.4504 -7.9592 -7.9592 -7.7566 -7.7566 -7.2275 -7.2275 -6.9317 -6.9317 0.3186 0.3186 4.6583 4.6583 5.5515 5.5515 5.8673 5.8673 6.4627 6.4627 6.4673 6.4673 7.5426 7.5426 7.7031 7.7031 8.3904 8.3904 8.8228 8.8228 9.2547 9.2547 9.5706 9.5706 15.0614 15.0614 15.7771 15.7771 16.8367 16.8367 17.2525 17.2525 17.4310 17.4310 k = 0.0000 0.0000 1.0801 ( 2722 PWs) bands (ev): -28.4738 -28.4738 -28.4450 -28.4450 -10.4160 -10.4160 -10.1684 -10.1684 -9.9934 -9.9934 -9.6775 -9.6775 -9.6009 -9.6009 -9.4556 -9.4556 -7.9410 -7.9410 -7.7596 -7.7596 -7.2616 -7.2616 -6.9423 -6.9423 0.2947 0.2947 4.6349 4.6349 5.5899 5.5899 5.8593 5.8593 6.4366 6.4366 6.5188 6.5188 7.5632 7.5632 7.7077 7.7077 8.3730 8.3730 8.8190 8.8190 9.2863 9.2863 9.5878 9.5878 15.0327 15.0327 15.7963 15.7963 16.8084 16.8084 17.2669 17.2669 17.4199 17.4199 k = 0.0000 0.0000 1.1001 ( 2722 PWs) bands (ev): -28.4732 -28.4732 -28.4448 -28.4448 -10.4082 -10.4082 -10.1712 -10.1712 -9.9913 -9.9913 -9.6727 -9.6727 -9.5949 -9.5949 -9.4611 -9.4611 -7.9233 -7.9233 -7.7622 -7.7622 -7.2942 -7.2942 -6.9521 -6.9521 0.2731 0.2731 4.6140 4.6140 5.6278 5.6278 5.8522 5.8522 6.4062 6.4062 6.5695 6.5695 7.5822 7.5822 7.7120 7.7120 8.3566 8.3566 8.8155 8.8155 9.3156 9.3156 9.6039 9.6039 15.0067 15.0067 15.8136 15.8136 16.7814 16.7814 17.2778 17.2778 17.4051 17.4051 k = 0.0000 0.0000 1.1201 ( 2730 PWs) bands (ev): -28.4727 -28.4727 -28.4446 -28.4446 -10.4017 -10.4017 -10.1732 -10.1732 -9.9895 -9.9895 -9.6689 -9.6689 -9.5883 -9.5883 -9.4667 -9.4667 -7.9063 -7.9063 -7.7640 -7.7640 -7.3251 -7.3251 -6.9610 -6.9610 0.2539 0.2539 4.5957 4.5957 5.6648 5.6648 5.8460 5.8460 6.3759 6.3759 6.6150 6.6150 7.5995 7.5995 7.7157 7.7157 8.3413 8.3413 8.8124 8.8124 9.3422 9.3422 9.6187 9.6187 14.9835 14.9835 15.8289 15.8289 16.7563 16.7563 17.2847 17.2847 17.3802 17.3802 k = 0.0000 0.0000 1.1401 ( 2728 PWs) bands (ev): -28.4722 -28.4722 -28.4444 -28.4444 -10.3963 -10.3963 -10.1747 -10.1747 -9.9879 -9.9879 -9.6657 -9.6657 -9.5813 -9.5813 -9.4724 -9.4724 -7.8903 -7.8903 -7.7652 -7.7652 -7.3537 -7.3537 -6.9689 -6.9689 0.2370 0.2370 4.5799 4.5799 5.7006 5.7006 5.8406 5.8406 6.3462 6.3462 6.6552 6.6552 7.6150 7.6150 7.7187 7.7187 8.3274 8.3274 8.8096 8.8096 9.3660 9.3660 9.6321 9.6321 14.9632 14.9632 15.8424 15.8424 16.7334 16.7334 17.2877 17.2877 17.3579 17.3579 k = 0.0000 0.0000 1.1601 ( 2724 PWs) bands (ev): -28.4718 -28.4718 -28.4443 -28.4443 -10.3920 -10.3920 -10.1756 -10.1756 -9.9864 -9.9864 -9.6632 -9.6632 -9.5741 -9.5741 -9.4781 -9.4781 -7.8758 -7.8758 -7.7656 -7.7656 -7.3798 -7.3798 -6.9758 -6.9758 0.2227 0.2227 4.5666 4.5666 5.7342 5.7342 5.8361 5.8361 6.3176 6.3176 6.6898 6.6898 7.6286 7.6286 7.7212 7.7212 8.3152 8.3152 8.8072 8.8072 9.3867 9.3867 9.6437 9.6437 14.9460 14.9460 15.8538 15.8538 16.7133 16.7133 17.2875 17.2875 17.3385 17.3385 k = 0.0000 0.0000 1.1801 ( 2728 PWs) bands (ev): -28.4715 -28.4715 -28.4441 -28.4441 -10.3886 -10.3886 -10.1760 -10.1760 -9.9853 -9.9853 -9.6613 -9.6613 -9.5671 -9.5671 -9.4838 -9.4838 -7.8632 -7.8632 -7.7652 -7.7652 -7.4026 -7.4026 -6.9816 -6.9816 0.2109 0.2109 4.5557 4.5557 5.7649 5.7649 5.8326 5.8326 6.2909 6.2909 6.7185 6.7185 7.6402 7.6402 7.7229 7.7229 8.3048 8.3048 8.8052 8.8052 9.4039 9.4039 9.6535 9.6535 14.9318 14.9318 15.8632 15.8632 16.6963 16.6963 17.2852 17.2852 17.3222 17.3222 k = 0.0000 0.0000 1.2001 ( 2720 PWs) bands (ev): -28.4712 -28.4712 -28.4440 -28.4440 -10.3861 -10.3861 -10.1762 -10.1762 -9.9843 -9.9843 -9.6598 -9.6598 -9.5605 -9.5605 -9.4891 -9.4891 -7.8531 -7.8531 -7.7641 -7.7641 -7.4216 -7.4216 -6.9861 -6.9861 0.2016 0.2016 4.5473 4.5473 5.7911 5.7911 5.8303 5.8303 6.2676 6.2676 6.7411 6.7411 7.6495 7.6495 7.7240 7.7240 8.2964 8.2964 8.8037 8.8037 9.4176 9.4176 9.6613 9.6613 14.9207 14.9207 15.8707 15.8707 16.6828 16.6828 17.2823 17.2823 17.3093 17.3093 k = 0.0000 0.0000 1.2201 ( 2728 PWs) bands (ev): -28.4710 -28.4710 -28.4440 -28.4440 -10.3844 -10.3844 -10.1763 -10.1763 -9.9837 -9.9837 -9.6588 -9.6588 -9.5550 -9.5550 -9.4937 -9.4937 -7.8457 -7.8457 -7.7627 -7.7627 -7.4360 -7.4360 -6.9894 -6.9894 0.1950 0.1950 4.5413 4.5413 5.8104 5.8104 5.8299 5.8299 6.2489 6.2489 6.7573 6.7573 7.6565 7.6565 7.7246 7.7246 8.2903 8.2903 8.8025 8.8025 9.4274 9.4274 9.6669 9.6669 14.9128 14.9128 15.8759 15.8759 16.6729 16.6729 17.2795 17.2795 17.2999 17.2999 k = 0.0000 0.0000 1.2401 ( 2728 PWs) bands (ev): -28.4709 -28.4709 -28.4439 -28.4439 -10.3834 -10.3834 -10.1763 -10.1763 -9.9833 -9.9833 -9.6582 -9.6582 -9.5512 -9.5512 -9.4969 -9.4969 -7.8413 -7.8413 -7.7615 -7.7615 -7.4450 -7.4450 -6.9914 -6.9914 0.1910 0.1910 4.5377 4.5377 5.8192 5.8192 5.8335 5.8335 6.2367 6.2367 6.7671 6.7671 7.6607 7.6607 7.7249 7.7249 8.2866 8.2866 8.8019 8.8019 9.4334 9.4334 9.6703 9.6703 14.9080 14.9080 15.8791 15.8791 16.6669 16.6669 17.2777 17.2777 17.2942 17.2942 k = 0.0000 0.0000 1.2601 ( 2730 PWs) bands (ev): -28.4709 -28.4709 -28.4439 -28.4439 -10.3831 -10.3831 -10.1763 -10.1763 -9.9832 -9.9832 -9.6580 -9.6580 -9.5498 -9.5498 -9.4981 -9.4981 -7.8398 -7.8398 -7.7611 -7.7611 -7.4480 -7.4480 -6.9920 -6.9920 0.1897 0.1897 4.5365 4.5365 5.8207 5.8207 5.8364 5.8364 6.2324 6.2324 6.7704 6.7704 7.6622 7.6622 7.7249 7.7249 8.2853 8.2853 8.8016 8.8016 9.4354 9.4354 9.6715 9.6715 14.9064 14.9064 15.8801 15.8801 16.6649 16.6649 17.2770 17.2770 17.2923 17.2923 k = 0.0000 0.0000 1.2601 ( 2730 PWs) bands (ev): -28.4709 -28.4709 -28.4439 -28.4439 -10.3831 -10.3831 -10.1763 -10.1763 -9.9832 -9.9832 -9.6580 -9.6580 -9.5498 -9.5498 -9.4981 -9.4981 -7.8398 -7.8398 -7.7611 -7.7611 -7.4480 -7.4480 -6.9920 -6.9920 0.1897 0.1897 4.5365 4.5365 5.8207 5.8207 5.8364 5.8364 6.2324 6.2324 6.7704 6.7704 7.6622 7.6622 7.7249 7.7249 8.2853 8.2853 8.8016 8.8016 9.4354 9.4354 9.6715 9.6715 14.9064 14.9064 15.8801 15.8801 16.6649 16.6649 17.2770 17.2770 17.2923 17.2923 k =-0.0078 0.0180 1.2601 ( 2726 PWs) bands (ev): -28.4709 -28.4709 -28.4440 -28.4440 -10.3832 -10.3832 -10.1779 -10.1779 -9.9823 -9.9823 -9.6578 -9.6578 -9.5500 -9.5500 -9.4978 -9.4978 -7.8400 -7.8400 -7.7617 -7.7617 -7.4464 -7.4464 -6.9915 -6.9915 0.1912 0.1912 4.5376 4.5376 5.8194 5.8194 5.8361 5.8361 6.2330 6.2330 6.7670 6.7670 7.6638 7.6638 7.7236 7.7236 8.2853 8.2853 8.8023 8.8023 9.4333 9.4333 9.6713 9.6713 14.9084 14.9084 15.8773 15.8773 16.6690 16.6690 17.2685 17.2685 17.3000 17.3000 k =-0.0156 0.0360 1.2601 ( 2712 PWs) bands (ev): -28.4709 -28.4709 -28.4441 -28.4441 -10.3837 -10.3837 -10.1823 -10.1823 -9.9800 -9.9800 -9.6572 -9.6572 -9.5505 -9.5505 -9.4969 -9.4969 -7.8404 -7.8404 -7.7636 -7.7636 -7.4414 -7.4414 -6.9898 -6.9898 0.1957 0.1957 4.5407 4.5407 5.8148 5.8148 5.8361 5.8361 6.2345 6.2345 6.7567 6.7567 7.6685 7.6685 7.7195 7.7195 8.2850 8.2850 8.8042 8.8042 9.4270 9.4270 9.6707 9.6707 14.9143 14.9143 15.8692 15.8692 16.6811 16.6811 17.2535 17.2535 17.3129 17.3129 k =-0.0234 0.0540 1.2601 ( 2716 PWs) bands (ev): -28.4710 -28.4710 -28.4442 -28.4442 -10.3848 -10.3848 -10.1893 -10.1893 -9.9765 -9.9765 -9.6563 -9.6563 -9.5514 -9.5514 -9.4956 -9.4956 -7.8414 -7.8414 -7.7666 -7.7666 -7.4333 -7.4333 -6.9870 -6.9870 0.2033 0.2033 4.5460 4.5460 5.8063 5.8063 5.8373 5.8373 6.2369 6.2369 6.7396 6.7396 7.6761 7.6761 7.7127 7.7127 8.2846 8.2846 8.8074 8.8074 9.4167 9.4167 9.6698 9.6698 14.9242 14.9242 15.8561 15.8561 16.7006 16.7006 17.2358 17.2358 17.3282 17.3282 k =-0.0311 0.0720 1.2601 ( 2716 PWs) bands (ev): -28.4711 -28.4711 -28.4445 -28.4445 -10.3866 -10.3866 -10.1980 -10.1980 -9.9722 -9.9722 -9.6551 -9.6551 -9.5525 -9.5525 -9.4938 -9.4938 -7.8431 -7.8431 -7.7702 -7.7702 -7.4221 -7.4221 -6.9832 -6.9832 0.2137 0.2137 4.5533 4.5533 5.7941 5.7941 5.8397 5.8397 6.2398 6.2398 6.7162 6.7162 7.6863 7.6863 7.7034 7.7034 8.2839 8.2839 8.8118 8.8118 9.4024 9.4024 9.6684 9.6684 14.9379 14.9379 15.8391 15.8391 16.7264 16.7264 17.2162 17.2162 17.3465 17.3465 k =-0.0389 0.0901 1.2601 ( 2708 PWs) bands (ev): -28.4713 -28.4713 -28.4447 -28.4447 -10.3895 -10.3895 -10.2076 -10.2076 -9.9675 -9.9675 -9.6535 -9.6535 -9.5537 -9.5537 -9.4917 -9.4917 -7.8457 -7.8457 -7.7739 -7.7739 -7.4082 -7.4082 -6.9783 -6.9783 0.2272 0.2272 4.5628 4.5628 5.7785 5.7785 5.8432 5.8432 6.2431 6.2431 6.6868 6.6868 7.6915 7.6915 7.6989 7.6989 8.2832 8.2832 8.8175 8.8175 9.3844 9.3844 9.6667 9.6667 14.9551 14.9551 15.8191 15.8191 16.7577 16.7577 17.1950 17.1950 17.3682 17.3682 k =-0.0467 0.1081 1.2601 ( 2712 PWs) bands (ev): -28.4714 -28.4714 -28.4451 -28.4451 -10.3940 -10.3940 -10.2172 -10.2172 -9.9627 -9.9627 -9.6518 -9.6518 -9.5549 -9.5549 -9.4894 -9.4894 -7.8498 -7.8498 -7.7773 -7.7773 -7.3918 -7.3918 -6.9725 -6.9725 0.2435 0.2435 4.5744 4.5744 5.7603 5.7603 5.8478 5.8478 6.2464 6.2464 6.6517 6.6517 7.6773 7.6773 7.7131 7.7131 8.2823 8.2823 8.8243 8.8243 9.3629 9.3629 9.6646 9.6646 14.9759 14.9759 15.7968 15.7968 16.7933 16.7933 17.1722 17.1722 17.3934 17.3934 k =-0.0467 0.1081 1.2601 ( 2712 PWs) bands (ev): -28.4714 -28.4714 -28.4451 -28.4451 -10.3940 -10.3940 -10.2172 -10.2172 -9.9627 -9.9627 -9.6518 -9.6518 -9.5549 -9.5549 -9.4894 -9.4894 -7.8498 -7.8498 -7.7773 -7.7773 -7.3918 -7.3918 -6.9725 -6.9725 0.2435 0.2435 4.5744 4.5744 5.7603 5.7603 5.8478 5.8478 6.2464 6.2464 6.6517 6.6517 7.6773 7.6773 7.7131 7.7131 8.2823 8.2823 8.8243 8.8243 9.3629 9.3629 9.6646 9.6646 14.9759 14.9759 15.7968 15.7968 16.7933 16.7933 17.1722 17.1722 17.3934 17.3934 k =-0.0524 0.1212 1.2458 ( 2710 PWs) bands (ev): -28.4716 -28.4716 -28.4454 -28.4454 -10.3987 -10.3987 -10.2237 -10.2237 -9.9594 -9.9594 -9.6506 -9.6506 -9.5560 -9.5560 -9.4872 -9.4872 -7.8542 -7.8542 -7.7796 -7.7796 -7.3771 -7.3771 -6.9674 -6.9674 0.2578 0.2578 4.5848 4.5848 5.7456 5.7456 5.8492 5.8492 6.2511 6.2511 6.6211 6.6211 7.6654 7.6654 7.7240 7.7240 8.2821 8.2821 8.8301 8.8301 9.3443 9.3443 9.6622 9.6622 14.9938 14.9938 15.7795 15.7795 16.8222 16.8222 17.1557 17.1557 17.4138 17.4138 k =-0.0580 0.1343 1.2316 ( 2710 PWs) bands (ev): -28.4718 -28.4718 -28.4458 -28.4458 -10.4051 -10.4051 -10.2294 -10.2294 -9.9563 -9.9563 -9.6497 -9.6497 -9.5577 -9.5577 -9.4844 -9.4844 -7.8603 -7.8603 -7.7819 -7.7819 -7.3588 -7.3588 -6.9611 -6.9611 0.2750 0.2750 4.5975 4.5975 5.7301 5.7301 5.8460 5.8460 6.2605 6.2605 6.5846 6.5846 7.6523 7.6523 7.7344 7.7344 8.2828 8.2828 8.8365 8.8365 9.3220 9.3220 9.6583 9.6583 15.0148 15.0148 15.7615 15.7615 16.8541 16.8541 17.1400 17.1400 17.4355 17.4355 k =-0.0637 0.1474 1.2173 ( 2712 PWs) bands (ev): -28.4721 -28.4721 -28.4462 -28.4462 -10.4133 -10.4133 -10.2342 -10.2342 -9.9534 -9.9534 -9.6493 -9.6493 -9.5595 -9.5595 -9.4811 -9.4811 -7.8679 -7.8679 -7.7842 -7.7842 -7.3375 -7.3375 -6.9538 -6.9538 0.2950 0.2950 4.6125 4.6125 5.7139 5.7139 5.8383 5.8383 6.2743 6.2743 6.5422 6.5422 7.6383 7.6383 7.7443 7.7443 8.2843 8.2843 8.8436 8.8436 9.2960 9.2960 9.6531 9.6531 15.0388 15.0388 15.7434 15.7434 16.8883 16.8883 17.1252 17.1252 17.4581 17.4582 k =-0.0694 0.1605 1.2030 ( 2710 PWs) bands (ev): -28.4724 -28.4724 -28.4466 -28.4466 -10.4234 -10.4234 -10.2379 -10.2379 -9.9507 -9.9507 -9.6494 -9.6494 -9.5611 -9.5611 -9.4774 -9.4774 -7.8765 -7.8765 -7.7865 -7.7865 -7.3134 -7.3134 -6.9454 -6.9454 0.3179 0.3179 4.6299 4.6299 5.6971 5.6971 5.8267 5.8267 6.2921 6.2921 6.4941 6.4941 7.6237 7.6237 7.7534 7.7534 8.2866 8.2866 8.8513 8.8513 9.2666 9.2666 9.6465 9.6465 15.0654 15.0654 15.7256 15.7256 16.9244 16.9244 17.1112 17.1112 17.4812 17.4812 k =-0.0750 0.1736 1.1887 ( 2710 PWs) bands (ev): -28.4727 -28.4727 -28.4471 -28.4471 -10.4354 -10.4354 -10.2404 -10.2404 -9.9484 -9.9484 -9.6501 -9.6501 -9.5622 -9.5622 -9.4736 -9.4736 -7.8859 -7.8859 -7.7889 -7.7889 -7.2870 -7.2870 -6.9361 -6.9361 0.3436 0.3436 4.6495 4.6495 5.6798 5.6798 5.8115 5.8115 6.3134 6.3134 6.4406 6.4406 7.6085 7.6085 7.7617 7.7617 8.2894 8.2894 8.8593 8.8593 9.2339 9.2339 9.6384 9.6384 15.0944 15.0944 15.7086 15.7086 16.9622 16.9622 17.0979 17.0979 17.5041 17.5042 k =-0.0807 0.1867 1.1744 ( 2710 PWs) bands (ev): -28.4731 -28.4731 -28.4476 -28.4476 -10.4490 -10.4490 -10.2419 -10.2419 -9.9463 -9.9463 -9.6514 -9.6514 -9.5628 -9.5628 -9.4697 -9.4697 -7.8959 -7.8959 -7.7913 -7.7913 -7.2586 -7.2586 -6.9259 -6.9259 0.3722 0.3722 4.6715 4.6715 5.6621 5.6621 5.7933 5.7933 6.3375 6.3375 6.3820 6.3820 7.5929 7.5929 7.7692 7.7692 8.2927 8.2927 8.8677 8.8677 9.1979 9.1979 9.6291 9.6291 15.1257 15.1257 15.6926 15.6926 17.0010 17.0010 17.0852 17.0852 17.5265 17.5265 k =-0.0864 0.1998 1.1602 ( 2708 PWs) bands (ev): -28.4736 -28.4736 -28.4481 -28.4481 -10.4642 -10.4642 -10.2425 -10.2425 -9.9445 -9.9445 -9.6533 -9.6533 -9.5626 -9.5626 -9.4657 -9.4657 -7.9064 -7.9064 -7.7938 -7.7938 -7.2285 -7.2285 -6.9149 -6.9149 0.4035 0.4035 4.6956 4.6956 5.6442 5.6442 5.7727 5.7727 6.3178 6.3178 6.3649 6.3649 7.5771 7.5771 7.7758 7.7758 8.2965 8.2965 8.8761 8.8761 9.1588 9.1588 9.6185 9.6185 15.1589 15.1589 15.6780 15.6780 17.0405 17.0405 17.0732 17.0732 17.5482 17.5486 k =-0.0920 0.2129 1.1459 ( 2710 PWs) bands (ev): -28.4741 -28.4741 -28.4487 -28.4487 -10.4807 -10.4807 -10.2424 -10.2424 -9.9430 -9.9430 -9.6557 -9.6557 -9.5616 -9.5616 -9.4617 -9.4617 -7.9171 -7.9171 -7.7963 -7.7963 -7.1971 -7.1971 -6.9031 -6.9031 0.4377 0.4377 4.7221 4.7221 5.6260 5.6260 5.7499 5.7499 6.2494 6.2494 6.3938 6.3938 7.5611 7.5611 7.7815 7.7815 8.3006 8.3006 8.8846 8.8846 9.1168 9.1168 9.6067 9.6067 15.1937 15.1937 15.6651 15.6651 17.0609 17.0609 17.0813 17.0813 17.5693 17.5696 k =-0.0977 0.2260 1.1316 ( 2710 PWs) bands (ev): -28.4746 -28.4746 -28.4493 -28.4493 -10.4983 -10.4983 -10.2416 -10.2416 -9.9418 -9.9418 -9.6583 -9.6583 -9.5599 -9.5599 -9.4577 -9.4577 -7.9280 -7.9280 -7.7989 -7.7989 -7.1645 -7.1645 -6.8906 -6.8906 0.4747 0.4747 4.7507 4.7507 5.6078 5.6078 5.7255 5.7255 6.1764 6.1764 6.4247 6.4247 7.5450 7.5450 7.7864 7.7864 8.3049 8.3049 8.8928 8.8928 9.0720 9.0720 9.5938 9.5938 15.2298 15.2298 15.6540 15.6540 17.0501 17.0501 17.1212 17.1212 17.5899 17.5900 k =-0.1034 0.2391 1.1173 ( 2712 PWs) bands (ev): -28.4752 -28.4752 -28.4499 -28.4499 -10.5169 -10.5169 -10.2405 -10.2405 -9.9410 -9.9410 -9.6611 -9.6611 -9.5576 -9.5576 -9.4537 -9.4537 -7.9389 -7.9389 -7.8016 -7.8016 -7.1310 -7.1310 -6.8775 -6.8775 0.5144 0.5144 4.7815 4.7815 5.5894 5.5894 5.6996 5.6996 6.0992 6.0992 6.4574 6.4574 7.5287 7.5287 7.7903 7.7903 8.3094 8.3094 8.9005 8.9005 9.0247 9.0247 9.5800 9.5800 15.2668 15.2668 15.6449 15.6449 17.0395 17.0395 17.1609 17.1609 17.6101 17.6101 k =-0.1090 0.2523 1.1030 ( 2711 PWs) bands (ev): -28.4757 -28.4757 -28.4506 -28.4506 -10.5361 -10.5361 -10.2391 -10.2391 -9.9406 -9.9406 -9.6638 -9.6638 -9.5546 -9.5546 -9.4497 -9.4497 -7.9498 -7.9498 -7.8043 -7.8043 -7.0969 -7.0969 -6.8638 -6.8638 0.5568 0.5568 4.8145 4.8145 5.5710 5.5710 5.6727 5.6727 6.0180 6.0180 6.4915 6.4915 7.5123 7.5123 7.7933 7.7933 8.3141 8.3141 8.9074 8.9074 8.9752 8.9752 9.5654 9.5654 15.3044 15.3044 15.6380 15.6380 17.0295 17.0295 17.1999 17.1999 17.6295 17.6295 k =-0.1147 0.2654 1.0888 ( 2713 PWs) bands (ev): -28.4764 -28.4764 -28.4513 -28.4513 -10.5559 -10.5559 -10.2377 -10.2377 -9.9406 -9.9406 -9.6663 -9.6663 -9.5511 -9.5511 -9.4456 -9.4456 -7.9607 -7.9607 -7.8070 -7.8070 -7.0622 -7.0622 -6.8497 -6.8497 0.6020 0.6020 4.8496 4.8496 5.5526 5.5526 5.6449 5.6449 5.9332 5.9332 6.5269 6.5269 7.4958 7.4958 7.7955 7.7955 8.3187 8.3187 8.9110 8.9110 8.9259 8.9259 9.5504 9.5504 15.3421 15.3421 15.6335 15.6335 17.0201 17.0201 17.2375 17.2375 17.6475 17.6475 k =-0.1204 0.2785 1.0745 ( 2713 PWs) bands (ev): -28.4770 -28.4770 -28.4520 -28.4520 -10.5760 -10.5760 -10.2362 -10.2362 -9.9410 -9.9410 -9.6683 -9.6683 -9.5472 -9.5472 -9.4416 -9.4416 -7.9715 -7.9715 -7.8099 -7.8099 -7.0272 -7.0272 -6.8352 -6.8352 0.6499 0.6499 4.8868 4.8868 5.5341 5.5341 5.6166 5.6166 5.8451 5.8451 6.5636 6.5636 7.4791 7.4791 7.7968 7.7968 8.3230 8.3230 8.8687 8.8687 8.9196 8.9196 9.5351 9.5351 15.3796 15.3796 15.6314 15.6314 17.0116 17.0116 17.2730 17.2730 17.6624 17.6624 k =-0.1260 0.2916 1.0602 ( 2715 PWs) bands (ev): -28.4777 -28.4777 -28.4527 -28.4527 -10.5964 -10.5964 -10.2349 -10.2349 -9.9418 -9.9418 -9.6699 -9.6699 -9.5429 -9.5429 -9.4375 -9.4375 -7.9822 -7.9822 -7.8129 -7.8129 -6.9921 -6.9921 -6.8204 -6.8204 0.7005 0.7005 4.9258 4.9258 5.5155 5.5155 5.5881 5.5881 5.7540 5.7540 6.6015 6.6015 7.4624 7.4624 7.7973 7.7973 8.3269 8.3269 8.8142 8.8142 8.9223 8.9223 9.5198 9.5198 15.4164 15.4164 15.6317 15.6317 17.0041 17.0041 17.3057 17.3057 17.6705 17.6705 k =-0.1317 0.3047 1.0459 ( 2719 PWs) bands (ev): -28.4783 -28.4783 -28.4534 -28.4534 -10.6169 -10.6169 -10.2338 -10.2338 -9.9432 -9.9432 -9.6708 -9.6708 -9.5382 -9.5382 -9.4334 -9.4334 -7.9927 -7.9927 -7.8159 -7.8159 -6.9569 -6.9569 -6.8054 -6.8054 0.7538 0.7538 4.9667 4.9667 5.4967 5.4967 5.5596 5.5596 5.6602 5.6602 6.6404 6.6404 7.4454 7.4454 7.7971 7.7971 8.3297 8.3297 8.7588 8.7588 8.9233 8.9233 9.5049 9.5049 15.4519 15.4519 15.6346 15.6346 16.9979 16.9979 17.3348 17.3348 17.6650 17.6650 k =-0.1374 0.3178 1.0316 ( 2717 PWs) bands (ev): -28.4790 -28.4790 -28.4541 -28.4541 -10.6374 -10.6374 -10.2330 -10.2330 -9.9450 -9.9450 -9.6710 -9.6710 -9.5332 -9.5332 -9.4291 -9.4291 -8.0031 -8.0031 -7.8190 -7.8190 -6.9220 -6.9220 -6.7902 -6.7902 0.8097 0.8097 5.0090 5.0090 5.4772 5.4772 5.5317 5.5317 5.5645 5.5645 6.6804 6.6804 7.4283 7.4283 7.7962 7.7962 8.3309 8.3309 8.7034 8.7034 8.9218 8.9218 9.4907 9.4907 15.4859 15.4859 15.6401 15.6401 16.9932 16.9932 17.3595 17.3595 17.6420 17.6420 k =-0.1430 0.3309 1.0174 ( 2725 PWs) bands (ev): -28.4797 -28.4797 -28.4549 -28.4549 -10.6577 -10.6577 -10.2325 -10.2325 -9.9473 -9.9473 -9.6705 -9.6705 -9.5280 -9.5280 -9.4249 -9.4249 -8.0132 -8.0132 -7.8223 -7.8223 -6.8874 -6.8874 -6.7750 -6.7750 0.8682 0.8682 5.0522 5.0522 5.4559 5.4559 5.4677 5.4677 5.5059 5.5059 6.7213 6.7213 7.4110 7.4110 7.7946 7.7946 8.3292 8.3292 8.6497 8.6497 8.9176 8.9176 9.4777 9.4777 15.5177 15.5177 15.6481 15.6481 16.9904 16.9904 17.3790 17.3790 17.6063 17.6063 k =-0.1487 0.3440 1.0031 ( 2725 PWs) bands (ev): -28.4804 -28.4804 -28.4556 -28.4556 -10.6777 -10.6777 -10.2323 -10.2323 -9.9500 -9.9500 -9.6692 -9.6692 -9.5224 -9.5224 -9.4205 -9.4205 -8.0232 -8.0232 -7.8256 -7.8256 -6.8532 -6.8532 -6.7598 -6.7598 0.9292 0.9292 5.0940 5.0940 5.3708 5.3708 5.4348 5.4348 5.4816 5.4816 6.7632 6.7632 7.3935 7.3935 7.7924 7.7924 8.3224 8.3224 8.5997 8.5997 8.9101 8.9101 9.4662 9.4662 15.5469 15.5469 15.6588 15.6588 16.9898 16.9898 17.3931 17.3931 17.5652 17.5652 k =-0.1544 0.3571 0.9888 ( 2723 PWs) bands (ev): -28.4811 -28.4811 -28.4563 -28.4563 -10.6975 -10.6975 -10.2325 -10.2325 -9.9532 -9.9532 -9.6672 -9.6672 -9.5167 -9.5167 -9.4161 -9.4161 -8.0329 -8.0329 -7.8290 -7.8290 -6.8196 -6.8196 -6.7447 -6.7447 0.9929 0.9929 5.1248 5.1248 5.2858 5.2858 5.4105 5.4105 5.4600 5.4600 6.8060 6.8060 7.3757 7.3757 7.7897 7.7897 8.3077 8.3077 8.5567 8.5567 8.8991 8.8991 9.4564 9.4564 15.5731 15.5731 15.6719 15.6719 16.9918 16.9918 17.4020 17.4020 17.5226 17.5226 k =-0.1600 0.3702 0.9745 ( 2724 PWs) bands (ev): -28.4818 -28.4818 -28.4571 -28.4571 -10.7168 -10.7168 -10.2331 -10.2331 -9.9568 -9.9568 -9.6645 -9.6645 -9.5107 -9.5107 -9.4116 -9.4116 -8.0424 -8.0424 -7.8325 -7.8325 -6.7867 -6.7867 -6.7298 -6.7298 1.0590 1.0590 5.1018 5.1018 5.2547 5.2547 5.3846 5.3846 5.4410 5.4410 6.8496 6.8496 7.3575 7.3575 7.7864 7.7864 8.2816 8.2816 8.5243 8.5243 8.8843 8.8843 9.4485 9.4485 15.5960 15.5960 15.6876 15.6876 16.9966 16.9966 17.4062 17.4062 17.4804 17.4804 k =-0.1657 0.3833 0.9602 ( 2722 PWs) bands (ev): -28.4825 -28.4825 -28.4578 -28.4578 -10.7356 -10.7356 -10.2341 -10.2341 -9.9606 -9.9606 -9.6613 -9.6613 -9.5045 -9.5045 -9.4070 -9.4070 -8.0517 -8.0517 -7.8360 -7.8360 -6.7546 -6.7546 -6.7150 -6.7150 1.1276 1.1276 5.0168 5.0168 5.2860 5.2860 5.3578 5.3578 5.4240 5.4240 6.8940 6.8940 7.3390 7.3390 7.7825 7.7825 8.2432 8.2432 8.5037 8.5037 8.8658 8.8658 9.4428 9.4428 15.6153 15.6153 15.7057 15.7057 17.0044 17.0044 17.4065 17.4065 17.4397 17.4397 k =-0.1714 0.3964 0.9460 ( 2720 PWs) bands (ev): -28.4832 -28.4832 -28.4585 -28.4585 -10.7538 -10.7538 -10.2353 -10.2353 -9.9648 -9.9648 -9.6575 -9.6575 -9.4981 -9.4981 -9.4024 -9.4024 -8.0607 -8.0607 -7.8396 -7.8396 -6.7236 -6.7236 -6.7006 -6.7006 1.1986 1.1986 4.9148 4.9148 5.3300 5.3300 5.3354 5.3354 5.4085 5.4085 6.9392 6.9392 7.3201 7.3201 7.7781 7.7781 8.1944 8.1944 8.4932 8.4932 8.8434 8.8434 9.4390 9.4390 15.6307 15.6307 15.7262 15.7262 17.0152 17.0152 17.4001 17.4001 17.4050 17.4050 k =-0.1770 0.4095 0.9317 ( 2724 PWs) bands (ev): -28.4839 -28.4839 -28.4592 -28.4592 -10.7714 -10.7714 -10.2368 -10.2368 -9.9691 -9.9691 -9.6535 -9.6535 -9.4916 -9.4916 -9.3978 -9.3978 -8.0694 -8.0694 -7.8433 -7.8433 -6.6939 -6.6939 -6.6862 -6.6862 1.2720 1.2720 4.8077 4.8077 5.3037 5.3037 5.3886 5.3886 5.3946 5.3946 6.9850 6.9850 7.3006 7.3006 7.7730 7.7730 8.1390 8.1390 8.4895 8.4895 8.8175 8.8175 9.4372 9.4372 15.6423 15.6423 15.7489 15.7489 17.0289 17.0289 17.3650 17.3650 17.3995 17.3996 k =-0.1827 0.4227 0.9174 ( 2719 PWs) bands (ev): -28.4845 -28.4845 -28.4598 -28.4598 -10.7883 -10.7883 -10.2386 -10.2386 -9.9736 -9.9736 -9.6491 -9.6491 -9.4849 -9.4849 -9.3932 -9.3932 -8.0777 -8.0777 -7.8469 -7.8469 -6.6737 -6.6737 -6.6639 -6.6639 1.3477 1.3477 4.6983 4.6983 5.2772 5.2772 5.3807 5.3807 5.4466 5.4466 7.0315 7.0315 7.2803 7.2803 7.7670 7.7670 8.0802 8.0802 8.4901 8.4901 8.7882 8.7882 9.4370 9.4370 15.6501 15.6501 15.7737 15.7737 17.0450 17.0450 17.3323 17.3323 17.3933 17.3933 k =-0.1884 0.4358 0.9031 ( 2720 PWs) bands (ev): -28.4852 -28.4852 -28.4605 -28.4605 -10.8045 -10.8045 -10.2406 -10.2406 -9.9782 -9.9782 -9.6447 -9.6447 -9.4780 -9.4780 -9.3887 -9.3887 -8.0858 -8.0858 -7.8506 -7.8506 -6.6604 -6.6604 -6.6365 -6.6365 1.4257 1.4257 4.5874 4.5874 5.2515 5.2515 5.3682 5.3682 5.5063 5.5063 7.0785 7.0785 7.2592 7.2592 7.7595 7.7595 8.0204 8.0204 8.4932 8.4932 8.7559 8.7559 9.4383 9.4383 15.6545 15.6545 15.8005 15.8005 17.0626 17.0626 17.3035 17.3035 17.3860 17.3860 k =-0.1940 0.4489 0.8888 ( 2720 PWs) bands (ev): -28.4858 -28.4858 -28.4611 -28.4611 -10.8198 -10.8198 -10.2427 -10.2427 -9.9827 -9.9827 -9.6402 -9.6402 -9.4711 -9.4711 -9.3843 -9.3843 -8.0935 -8.0935 -7.8542 -7.8542 -6.6478 -6.6478 -6.6102 -6.6102 1.5059 1.5059 4.4756 4.4756 5.2268 5.2268 5.3565 5.3565 5.5680 5.5680 7.1258 7.1258 7.2368 7.2368 7.7497 7.7497 7.9622 7.9622 8.4978 8.4978 8.7210 8.7210 9.4408 9.4408 15.6556 15.6556 15.8290 15.8290 17.0801 17.0801 17.2803 17.2803 17.3779 17.3779 k =-0.1997 0.4620 0.8746 ( 2724 PWs) bands (ev): -28.4864 -28.4864 -28.4617 -28.4617 -10.8343 -10.8343 -10.2450 -10.2450 -9.9872 -9.9872 -9.6358 -9.6358 -9.4640 -9.4640 -9.3800 -9.3800 -8.1008 -8.1008 -7.8577 -7.8577 -6.6359 -6.6359 -6.5854 -6.5854 1.5881 1.5881 4.3632 4.3632 5.2031 5.2031 5.3457 5.3457 5.6315 5.6315 7.1732 7.1732 7.2132 7.2132 7.7356 7.7356 7.9086 7.9086 8.5033 8.5033 8.6837 8.6837 9.4442 9.4442 15.6540 15.6540 15.8590 15.8590 17.0946 17.0946 17.2648 17.2648 17.3691 17.3692 k =-0.2054 0.4751 0.8603 ( 2724 PWs) bands (ev): -28.4869 -28.4869 -28.4623 -28.4623 -10.8479 -10.8479 -10.2473 -10.2473 -9.9915 -9.9915 -9.6316 -9.6316 -9.4570 -9.4570 -9.3759 -9.3759 -8.1077 -8.1077 -7.8612 -7.8612 -6.6247 -6.6247 -6.5620 -6.5620 1.6724 1.6724 4.2505 4.2505 5.1807 5.1807 5.3356 5.3356 5.6965 5.6965 7.1858 7.1858 7.2224 7.2224 7.7144 7.7144 7.8636 7.8636 8.5091 8.5091 8.6446 8.6446 9.4482 9.4482 15.6500 15.6500 15.8904 15.8904 17.1027 17.1027 17.2603 17.2603 17.3598 17.3598 k =-0.2110 0.4882 0.8460 ( 2726 PWs) bands (ev): -28.4875 -28.4875 -28.4628 -28.4628 -10.8605 -10.8605 -10.2496 -10.2496 -9.9957 -9.9957 -9.6277 -9.6277 -9.4500 -9.4500 -9.3720 -9.3720 -8.1143 -8.1143 -7.8645 -7.8645 -6.6143 -6.6143 -6.5402 -6.5402 1.7586 1.7586 4.1378 4.1378 5.1596 5.1596 5.3264 5.3264 5.7629 5.7629 7.1575 7.1575 7.2700 7.2700 7.6835 7.6835 7.8309 7.8309 8.5151 8.5151 8.6041 8.6041 9.4526 9.4526 15.6442 15.6442 15.9228 15.9228 17.1022 17.1022 17.2683 17.2683 17.3497 17.3497 k =-0.2167 0.5013 0.8317 ( 2722 PWs) bands (ev): -28.4879 -28.4879 -28.4633 -28.4633 -10.8722 -10.8722 -10.2519 -10.2519 -9.9997 -9.9997 -9.6239 -9.6239 -9.4430 -9.4430 -9.3683 -9.3683 -8.1203 -8.1203 -7.8677 -7.8677 -6.6045 -6.6045 -6.5201 -6.5201 1.8465 1.8465 4.0253 4.0253 5.1400 5.1400 5.3179 5.3179 5.8306 5.8306 7.1254 7.1254 7.3177 7.3177 7.6446 7.6446 7.8099 7.8099 8.5206 8.5206 8.5630 8.5630 9.4573 9.4573 15.6371 15.6371 15.9558 15.9558 17.0946 17.0946 17.2868 17.2868 17.3387 17.3387 k =-0.2224 0.5144 0.8174 ( 2720 PWs) bands (ev): -28.4884 -28.4884 -28.4637 -28.4637 -10.8828 -10.8828 -10.2541 -10.2541 -10.0034 -10.0034 -9.6206 -9.6206 -9.4363 -9.4363 -9.3650 -9.3650 -8.1259 -8.1259 -7.8708 -7.8708 -6.5956 -6.5956 -6.5017 -6.5017 1.9360 1.9360 3.9132 3.9132 5.1220 5.1220 5.3102 5.3102 5.8995 5.8995 7.0891 7.0891 7.3650 7.3650 7.6027 7.6027 7.7967 7.7967 8.5157 8.5157 8.5314 8.5314 9.4620 9.4620 15.6292 15.6292 15.9890 15.9890 17.0832 17.0832 17.3114 17.3114 17.3268 17.3268 k =-0.2280 0.5275 0.8032 ( 2720 PWs) bands (ev): -28.4888 -28.4888 -28.4641 -28.4641 -10.8924 -10.8924 -10.2562 -10.2562 -10.0068 -10.0068 -9.6175 -9.6175 -9.4298 -9.4298 -9.3619 -9.3619 -8.1310 -8.1310 -7.8735 -7.8735 -6.5875 -6.5875 -6.4850 -6.4850 2.0269 2.0269 3.8019 3.8019 5.1057 5.1057 5.3033 5.3033 5.9694 5.9694 7.0481 7.0481 7.4115 7.4115 7.5619 7.5619 7.7880 7.7880 8.4762 8.4762 8.5339 8.5339 9.4665 9.4665 15.6208 15.6208 16.0219 16.0219 17.0704 17.0704 17.3117 17.3117 17.3409 17.3409 k =-0.2337 0.5406 0.7889 ( 2714 PWs) bands (ev): -28.4892 -28.4892 -28.4645 -28.4645 -10.9009 -10.9009 -10.2581 -10.2581 -10.0099 -10.0099 -9.6148 -9.6148 -9.4238 -9.4238 -9.3592 -9.3592 -8.1355 -8.1355 -7.8761 -7.8761 -6.5803 -6.5803 -6.4702 -6.4702 2.1187 2.1187 3.6919 3.6919 5.0910 5.0910 5.2972 5.2972 6.0401 6.0401 7.0021 7.0021 7.4567 7.4567 7.5248 7.5248 7.7818 7.7818 8.4346 8.4346 8.5386 8.5386 9.4709 9.4709 15.6125 15.6125 16.0540 16.0540 17.0579 17.0579 17.2960 17.2960 17.3703 17.3703 k =-0.2394 0.5537 0.7746 ( 2717 PWs) bands (ev): -28.4895 -28.4895 -28.4648 -28.4648 -10.9084 -10.9084 -10.2598 -10.2598 -10.0127 -10.0127 -9.6125 -9.6125 -9.4182 -9.4182 -9.3570 -9.3570 -8.1396 -8.1396 -7.8784 -7.8784 -6.5740 -6.5740 -6.4573 -6.4573 2.2111 2.2111 3.5836 3.5836 5.0782 5.0782 5.2919 5.2919 6.1115 6.1115 6.9510 6.9510 7.4919 7.4919 7.5009 7.5009 7.7773 7.7773 8.3940 8.3940 8.5430 8.5430 9.4748 9.4748 15.6045 15.6045 16.0844 16.0844 17.0463 17.0463 17.2782 17.2782 17.3996 17.3996 k =-0.2450 0.5668 0.7603 ( 2715 PWs) bands (ev): -28.4897 -28.4897 -28.4651 -28.4651 -10.9147 -10.9147 -10.2613 -10.2613 -10.0150 -10.0150 -9.6106 -9.6106 -9.4133 -9.4133 -9.3550 -9.3550 -8.1430 -8.1430 -7.8803 -7.8803 -6.5686 -6.5686 -6.4463 -6.4463 2.3033 2.3033 3.4779 3.4779 5.0673 5.0673 5.2874 5.2874 6.1832 6.1832 6.8952 6.8952 7.4661 7.4661 7.5409 7.5409 7.7739 7.7739 8.3555 8.3555 8.5469 8.5469 9.4783 9.4783 15.5973 15.5973 16.1126 16.1126 17.0362 17.0362 17.2592 17.2592 17.4273 17.4273 k =-0.2507 0.5799 0.7461 ( 2713 PWs) bands (ev): -28.4900 -28.4900 -28.4653 -28.4653 -10.9199 -10.9199 -10.2626 -10.2626 -10.0169 -10.0169 -9.6090 -9.6090 -9.4091 -9.4091 -9.3535 -9.3535 -8.1459 -8.1459 -7.8820 -7.8820 -6.5642 -6.5642 -6.4373 -6.4373 2.3940 2.3940 3.3761 3.3761 5.0583 5.0583 5.2837 5.2837 6.2549 6.2549 6.8356 6.8356 7.4450 7.4450 7.5776 7.5776 7.7714 7.7714 8.3203 8.3203 8.5502 8.5502 9.4812 9.4812 15.5910 15.5910 16.1374 16.1374 17.0277 17.0277 17.2403 17.2403 17.4522 17.4522 k =-0.2564 0.5931 0.7318 ( 2715 PWs) bands (ev): -28.4902 -28.4902 -28.4655 -28.4655 -10.9240 -10.9240 -10.2636 -10.2636 -10.0185 -10.0185 -9.6078 -9.6078 -9.4057 -9.4057 -9.3523 -9.3523 -8.1481 -8.1481 -7.8833 -7.8833 -6.5607 -6.5607 -6.4302 -6.4302 2.4806 2.4806 3.2808 3.2808 5.0512 5.0512 5.2808 5.2808 6.3258 6.3258 6.7734 6.7734 7.4292 7.4292 7.6091 7.6091 7.7695 7.7695 8.2899 8.2899 8.5528 8.5528 9.4836 9.4836 15.5859 15.5859 16.1581 16.1581 17.0209 17.0209 17.2231 17.2231 17.4490 17.4490 k =-0.2620 0.6062 0.7175 ( 2713 PWs) bands (ev): -28.4903 -28.4903 -28.4656 -28.4656 -10.9269 -10.9269 -10.2643 -10.2643 -10.0196 -10.0196 -9.6069 -9.6069 -9.4032 -9.4032 -9.3515 -9.3515 -8.1497 -8.1497 -7.8843 -7.8843 -6.5583 -6.5583 -6.4252 -6.4252 2.5584 2.5584 3.1968 3.1968 5.0461 5.0461 5.2788 5.2788 6.3946 6.3946 6.7104 6.7104 7.4181 7.4181 7.6336 7.6336 7.7683 7.7683 8.2661 8.2661 8.5547 8.5547 9.4853 9.4853 15.5821 15.5821 16.1737 16.1737 17.0161 17.0161 17.2093 17.2093 17.4410 17.4411 k =-0.2677 0.6193 0.7032 ( 2709 PWs) bands (ev): -28.4904 -28.4904 -28.4657 -28.4657 -10.9286 -10.9286 -10.2648 -10.2648 -10.0202 -10.0202 -9.6064 -9.6064 -9.4017 -9.4017 -9.3510 -9.3510 -8.1507 -8.1507 -7.8848 -7.8848 -6.5568 -6.5568 -6.4221 -6.4221 2.6170 2.6170 3.1344 3.1344 5.0431 5.0431 5.2775 5.2775 6.4564 6.4564 6.6520 6.6520 7.4116 7.4116 7.6493 7.6493 7.7676 7.7676 8.2508 8.2508 8.5559 8.5559 9.4863 9.4863 15.5798 15.5798 16.1834 16.1834 17.0131 17.0131 17.2005 17.2005 17.4365 17.4365 k =-0.2734 0.6324 0.6889 ( 2709 PWs) bands (ev): -28.4904 -28.4904 -28.4657 -28.4657 -10.9292 -10.9292 -10.2649 -10.2649 -10.0204 -10.0204 -9.6062 -9.6062 -9.4012 -9.4012 -9.3509 -9.3509 -8.1510 -8.1510 -7.8850 -7.8850 -6.5563 -6.5563 -6.4211 -6.4211 2.6400 2.6400 3.1101 3.1101 5.0421 5.0421 5.2771 5.2771 6.4883 6.4883 6.6211 6.6211 7.4095 7.4095 7.6547 7.6547 7.7674 7.7674 8.2455 8.2455 8.5563 8.5563 9.4867 9.4867 15.5790 15.5790 16.1867 16.1867 17.0121 17.0121 17.1974 17.1974 17.4350 17.4351 k =-0.2734 0.6324 0.6889 ( 2709 PWs) bands (ev): -28.4904 -28.4904 -28.4657 -28.4657 -10.9292 -10.9292 -10.2649 -10.2649 -10.0204 -10.0204 -9.6062 -9.6062 -9.4012 -9.4012 -9.3509 -9.3509 -8.1510 -8.1510 -7.8850 -7.8850 -6.5563 -6.5563 -6.4211 -6.4211 2.6400 2.6400 3.1101 3.1101 5.0421 5.0421 5.2771 5.2771 6.4883 6.4883 6.6211 6.6211 7.4095 7.4095 7.6547 7.6547 7.7674 7.7674 8.2455 8.2455 8.5563 8.5563 9.4867 9.4867 15.5790 15.5790 16.1867 16.1867 17.0121 17.0121 17.1974 17.1974 17.4350 17.4350 k =-0.2678 0.6195 0.6749 ( 2709 PWs) bands (ev): -28.4907 -28.4907 -28.4649 -28.4649 -10.9174 -10.9174 -10.2782 -10.2782 -10.0290 -10.0290 -9.6035 -9.6035 -9.4015 -9.4015 -9.3490 -9.3490 -8.1358 -8.1358 -7.9047 -7.9047 -6.5500 -6.5500 -6.4164 -6.4164 2.6355 2.6355 3.1148 3.1148 5.0124 5.0124 5.2997 5.2997 6.5024 6.5024 6.6117 6.6117 7.4082 7.4082 7.6466 7.6466 7.7370 7.7370 8.2609 8.2609 8.5550 8.5550 9.4782 9.4782 15.6091 15.6091 16.1679 16.1679 17.0491 17.0491 17.1725 17.1725 17.4552 17.4554 k =-0.2622 0.6066 0.6608 ( 2709 PWs) bands (ev): -28.4912 -28.4912 -28.4642 -28.4642 -10.9058 -10.9058 -10.2912 -10.2912 -10.0365 -10.0365 -9.6008 -9.6008 -9.4020 -9.4020 -9.3471 -9.3471 -8.1219 -8.1219 -7.9227 -7.9227 -6.5449 -6.5449 -6.4114 -6.4114 2.6301 2.6301 3.1181 3.1181 4.9851 4.9851 5.3232 5.3232 6.5184 6.5184 6.6054 6.6054 7.4079 7.4079 7.6398 7.6398 7.7066 7.7066 8.2753 8.2753 8.5550 8.5550 9.4694 9.4694 15.6399 15.6399 16.1459 16.1459 17.0802 17.0802 17.1466 17.1466 17.4739 17.4793 k =-0.2566 0.5937 0.6468 ( 2711 PWs) bands (ev): -28.4916 -28.4916 -28.4636 -28.4636 -10.8945 -10.8945 -10.3038 -10.3038 -10.0430 -10.0430 -9.5980 -9.5980 -9.4027 -9.4027 -9.3453 -9.3453 -8.1105 -8.1105 -7.9380 -7.9380 -6.5412 -6.5412 -6.4060 -6.4060 2.6241 2.6241 3.1199 3.1199 4.9603 4.9603 5.3477 5.3477 6.5364 6.5364 6.6024 6.6024 7.4084 7.4084 7.6342 7.6342 7.6766 7.6766 8.2885 8.2885 8.5561 8.5561 9.4602 9.4602 15.6713 15.6713 16.1209 16.1209 17.1033 17.1033 17.1218 17.1218 17.4644 17.4644 k =-0.2510 0.5808 0.6327 ( 2711 PWs) bands (ev): -28.4922 -28.4922 -28.4629 -28.4629 -10.8837 -10.8837 -10.3159 -10.3159 -10.0482 -10.0482 -9.5953 -9.5953 -9.4036 -9.4036 -9.3434 -9.3434 -8.1032 -8.1032 -7.9488 -7.9488 -6.5387 -6.5387 -6.4003 -6.4003 2.6173 2.6173 3.1202 3.1202 4.9377 4.9377 5.3732 5.3732 6.5562 6.5562 6.6026 6.6026 7.4090 7.4090 7.6290 7.6290 7.6484 7.6484 8.3005 8.3005 8.5585 8.5585 9.4510 9.4510 15.7032 15.7032 16.0928 16.0928 17.0888 17.0888 17.1274 17.1274 17.4463 17.4463 k =-0.2455 0.5678 0.6186 ( 2709 PWs) bands (ev): -28.4928 -28.4928 -28.4624 -28.4624 -10.8734 -10.8734 -10.3273 -10.3273 -10.0523 -10.0523 -9.5926 -9.5926 -9.4046 -9.4046 -9.3416 -9.3416 -8.1020 -8.1020 -7.9533 -7.9533 -6.5375 -6.5375 -6.3943 -6.3943 2.6099 2.6099 3.1191 3.1191 4.9175 4.9175 5.3998 5.3998 6.5779 6.5779 6.6061 6.6061 7.4088 7.4088 7.6154 7.6154 7.6317 7.6317 8.3112 8.3112 8.5621 8.5621 9.4417 9.4417 15.7355 15.7355 16.0618 16.0618 17.0603 17.0603 17.1397 17.1397 17.4258 17.4258 k =-0.2399 0.5549 0.6046 ( 2709 PWs) bands (ev): -28.4935 -28.4935 -28.4618 -28.4618 -10.8639 -10.8639 -10.3379 -10.3379 -10.0552 -10.0552 -9.5899 -9.5899 -9.4057 -9.4057 -9.3398 -9.3398 -8.1079 -8.1079 -7.9505 -7.9505 -6.5376 -6.5376 -6.3880 -6.3880 2.6019 2.6019 3.1165 3.1165 4.8995 4.8995 5.4275 5.4275 6.6012 6.6012 6.6130 6.6130 7.4064 7.4064 7.5927 7.5927 7.6288 7.6288 8.3206 8.3206 8.5669 8.5669 9.4324 9.4324 15.7680 15.7680 16.0279 16.0279 17.0303 17.0303 17.1460 17.1460 17.4029 17.4029 k =-0.2343 0.5420 0.5905 ( 2709 PWs) bands (ev): -28.4942 -28.4942 -28.4614 -28.4614 -10.8553 -10.8553 -10.3476 -10.3476 -10.0569 -10.0569 -9.5872 -9.5872 -9.4069 -9.4069 -9.3380 -9.3380 -8.1200 -8.1200 -7.9412 -7.9412 -6.5389 -6.5389 -6.3814 -6.3814 2.5934 2.5934 3.1124 3.1124 4.8836 4.8836 5.4563 5.4563 6.6218 6.6218 6.6275 6.6275 7.3996 7.3996 7.5744 7.5744 7.6287 7.6287 8.3286 8.3286 8.5729 8.5729 9.4233 9.4233 15.8006 15.8006 15.9915 15.9915 16.9995 16.9995 17.1457 17.1457 17.3775 17.3775 k =-0.2287 0.5291 0.5765 ( 2707 PWs) bands (ev): -28.4949 -28.4949 -28.4610 -28.4610 -10.8477 -10.8477 -10.3560 -10.3560 -10.0573 -10.0573 -9.5846 -9.5846 -9.4082 -9.4082 -9.3363 -9.3363 -8.1366 -8.1366 -7.9271 -7.9271 -6.5415 -6.5415 -6.3745 -6.3745 2.5845 2.5845 3.1070 3.1070 4.8697 4.8697 5.4863 5.4863 6.6354 6.6354 6.6533 6.6533 7.3863 7.3863 7.5637 7.5637 7.6303 7.6303 8.3353 8.3353 8.5800 8.5800 9.4144 9.4144 15.8330 15.8330 15.9527 15.9527 16.9680 16.9680 17.1389 17.1389 17.3498 17.3498 k =-0.2231 0.5162 0.5624 ( 2711 PWs) bands (ev): -28.4958 -28.4958 -28.4606 -28.4606 -10.8415 -10.8415 -10.3629 -10.3629 -10.0566 -10.0566 -9.5821 -9.5821 -9.4096 -9.4096 -9.3348 -9.3348 -8.1563 -8.1563 -7.9099 -7.9099 -6.5454 -6.5454 -6.3674 -6.3674 2.5752 2.5752 3.1001 3.1001 4.8578 4.8578 5.5176 5.5176 6.6516 6.6516 6.6806 6.6806 7.3660 7.3660 7.5618 7.5618 7.6332 7.6332 8.3404 8.3404 8.5884 8.5884 9.4058 9.4058 15.8650 15.8650 15.9117 15.9117 16.9358 16.9358 17.1255 17.1255 17.3196 17.3196 k =-0.2176 0.5033 0.5483 ( 2715 PWs) bands (ev): -28.4967 -28.4967 -28.4603 -28.4603 -10.8369 -10.8369 -10.3680 -10.3680 -10.0546 -10.0546 -9.5796 -9.5796 -9.4111 -9.4111 -9.3333 -9.3333 -8.1779 -8.1779 -7.8907 -7.8907 -6.5505 -6.5505 -6.3602 -6.3602 2.5657 2.5657 3.0920 3.0920 4.8478 4.8478 5.5501 5.5501 6.6708 6.6708 6.7083 6.7083 7.3403 7.3403 7.5677 7.5677 7.6375 7.6375 8.3442 8.3442 8.5979 8.5979 9.3974 9.3974 15.8688 15.8688 15.8964 15.8964 16.9030 16.9030 17.1059 17.1059 17.2869 17.2869 k =-0.2120 0.4904 0.5343 ( 2717 PWs) bands (ev): -28.4976 -28.4976 -28.4600 -28.4600 -10.8340 -10.8340 -10.3711 -10.3711 -10.0515 -10.0515 -9.5771 -9.5771 -9.4127 -9.4127 -9.3318 -9.3318 -8.2008 -8.2008 -7.8700 -7.8700 -6.5568 -6.5568 -6.3527 -6.3527 2.5561 2.5561 3.0827 3.0827 4.8395 4.8395 5.5839 5.5839 6.6929 6.6929 6.7356 6.7356 7.3114 7.3114 7.5797 7.5797 7.6432 7.6432 8.3465 8.3465 8.6085 8.6085 9.3892 9.3892 15.8245 15.8245 15.9267 15.9267 16.8698 16.8698 17.0806 17.0806 17.2513 17.2513 k =-0.2064 0.4775 0.5202 ( 2717 PWs) bands (ev): -28.4986 -28.4986 -28.4598 -28.4598 -10.8330 -10.8330 -10.3720 -10.3720 -10.0472 -10.0472 -9.5747 -9.5747 -9.4143 -9.4143 -9.3305 -9.3305 -8.2246 -8.2246 -7.8484 -7.8484 -6.5642 -6.5642 -6.3452 -6.3452 2.5465 2.5465 3.0722 3.0722 4.8328 4.8328 5.6191 5.6191 6.7178 6.7178 6.7612 6.7612 7.2819 7.2819 7.5966 7.5966 7.6501 7.6501 8.3473 8.3473 8.6202 8.6202 9.3814 9.3814 15.7790 15.7790 15.9557 15.9557 16.8363 16.8363 17.0499 17.0499 17.2127 17.2128 k =-0.2008 0.4646 0.5062 ( 2705 PWs) bands (ev): -28.4996 -28.4996 -28.4597 -28.4597 -10.8341 -10.8341 -10.3704 -10.3704 -10.0418 -10.0418 -9.5723 -9.5723 -9.4160 -9.4160 -9.3292 -9.3292 -8.2490 -8.2490 -7.8261 -7.8261 -6.5728 -6.5728 -6.3375 -6.3375 2.5369 2.5369 3.0607 3.0607 4.8277 4.8277 5.6557 5.6557 6.7454 6.7454 6.7837 6.7837 7.2543 7.2543 7.6175 7.6175 7.6583 7.6583 8.3467 8.3467 8.6329 8.6329 9.3738 9.3738 15.7326 15.7326 15.9830 15.9830 16.8026 16.8026 17.0143 17.0143 17.1710 17.1710 k =-0.1953 0.4517 0.4921 ( 2705 PWs) bands (ev): -28.5007 -28.5007 -28.4595 -28.4595 -10.8372 -10.8372 -10.3662 -10.3662 -10.0353 -10.0353 -9.5700 -9.5700 -9.4177 -9.4177 -9.3280 -9.3280 -8.2740 -8.2740 -7.8034 -7.8034 -6.5824 -6.5824 -6.3298 -6.3298 2.5276 2.5276 3.0481 3.0481 4.8240 4.8240 5.6937 5.6937 6.7755 6.7755 6.8006 6.8006 7.2310 7.2310 7.6418 7.6418 7.6677 7.6677 8.3447 8.3447 8.6466 8.6466 9.3663 9.3663 15.6857 15.6857 16.0080 16.0080 16.7686 16.7686 16.9745 16.9745 17.1260 17.1260 k =-0.1897 0.4388 0.4780 ( 2715 PWs) bands (ev): -28.5018 -28.5018 -28.4595 -28.4595 -10.8426 -10.8426 -10.3596 -10.3596 -10.0279 -10.0279 -9.5678 -9.5678 -9.4194 -9.4194 -9.3270 -9.3270 -8.2994 -8.2994 -7.7804 -7.7804 -6.5932 -6.5932 -6.3221 -6.3221 2.5186 2.5186 3.0347 3.0347 4.8216 4.8216 5.7332 5.7332 6.8064 6.8064 6.8106 6.8106 7.2153 7.2153 7.6692 7.6692 7.6784 7.6784 8.3414 8.3414 8.6613 8.6613 9.3589 9.3589 15.6386 15.6386 16.0305 16.0305 16.7346 16.7346 16.9308 16.9308 17.0774 17.0774 k =-0.1841 0.4259 0.4640 ( 2715 PWs) bands (ev): -28.5029 -28.5029 -28.4595 -28.4595 -10.8498 -10.8498 -10.3504 -10.3504 -10.0194 -10.0194 -9.5656 -9.5656 -9.4212 -9.4212 -9.3260 -9.3260 -8.3251 -8.3251 -7.7571 -7.7571 -6.6049 -6.6049 -6.3144 -6.3144 2.5101 2.5101 3.0205 3.0205 4.8203 4.8203 5.7741 5.7741 6.8063 6.8063 6.8431 6.8431 7.2095 7.2095 7.6896 7.6896 7.7002 7.7002 8.3369 8.3369 8.6769 8.6769 9.3516 9.3516 15.5917 15.5917 16.0498 16.0498 16.7006 16.7006 16.8838 16.8838 17.0256 17.0256 k =-0.1785 0.4130 0.4499 ( 2713 PWs) bands (ev): -28.5041 -28.5041 -28.4595 -28.4595 -10.8590 -10.8590 -10.3387 -10.3387 -10.0100 -10.0100 -9.5634 -9.5634 -9.4228 -9.4228 -9.3251 -9.3251 -8.3512 -8.3512 -7.7338 -7.7338 -6.6176 -6.6176 -6.3067 -6.3067 2.5022 2.5022 3.0057 3.0057 4.8202 4.8202 5.8166 5.8166 6.7920 6.7920 6.8800 6.8800 7.2149 7.2149 7.7024 7.7024 7.7335 7.7335 8.3311 8.3311 8.6933 8.6933 9.3441 9.3441 15.5454 15.5454 16.0654 16.0654 16.6668 16.6668 16.8337 16.8337 16.9706 16.9706 k =-0.1729 0.4001 0.4359 ( 2717 PWs) bands (ev): -28.5053 -28.5053 -28.4596 -28.4596 -10.8697 -10.8697 -10.3248 -10.3248 -9.9998 -9.9998 -9.5612 -9.5612 -9.4246 -9.4246 -9.3244 -9.3244 -8.3775 -8.3775 -7.7106 -7.7106 -6.6312 -6.6312 -6.2991 -6.2991 2.4949 2.4949 2.9902 2.9902 4.8209 4.8209 5.8606 5.8606 6.7666 6.7666 6.9188 6.9188 7.2304 7.2304 7.7161 7.7161 7.7698 7.7698 8.3243 8.3243 8.7105 8.7105 9.3364 9.3364 15.4999 15.4999 16.0768 16.0768 16.6331 16.6331 16.7809 16.7809 16.9127 16.9127 k =-0.1674 0.3872 0.4218 ( 2711 PWs) bands (ev): -28.5065 -28.5065 -28.4597 -28.4597 -10.8818 -10.8818 -10.3089 -10.3089 -9.9887 -9.9887 -9.5591 -9.5591 -9.4262 -9.4262 -9.3237 -9.3237 -8.4039 -8.4039 -7.6874 -7.6874 -6.6456 -6.6456 -6.2916 -6.2916 2.4883 2.4883 2.9743 2.9743 4.8225 4.8225 5.9061 5.9061 6.7320 6.7320 6.9594 6.9594 7.2540 7.2540 7.7306 7.7306 7.8090 7.8090 8.3165 8.3165 8.7284 8.7284 9.3283 9.3283 15.4557 15.4557 16.0834 16.0834 16.5997 16.5997 16.7258 16.7258 16.8522 16.8522 k =-0.1618 0.3743 0.4077 ( 2711 PWs) bands (ev): -28.5077 -28.5077 -28.4598 -28.4598 -10.8951 -10.8951 -10.2911 -10.2911 -9.9769 -9.9769 -9.5569 -9.5569 -9.4279 -9.4279 -9.3232 -9.3232 -8.4306 -8.4306 -7.6645 -7.6645 -6.6608 -6.6608 -6.2842 -6.2842 2.4827 2.4827 2.9579 2.9579 4.8248 4.8248 5.9531 5.9531 6.6907 6.6907 7.0016 7.0016 7.2833 7.2833 7.7460 7.7460 7.8510 7.8510 8.3078 8.3078 8.7470 8.7470 9.3197 9.3197 15.4130 15.4130 16.0846 16.0846 16.5666 16.5666 16.6688 16.6688 16.7896 16.7896 k =-0.1562 0.3614 0.3937 ( 2711 PWs) bands (ev): -28.5090 -28.5090 -28.4600 -28.4600 -10.9094 -10.9094 -10.2716 -10.2716 -9.9643 -9.9643 -9.5548 -9.5548 -9.4295 -9.4295 -9.3228 -9.3228 -8.4574 -8.4574 -7.6418 -7.6418 -6.6767 -6.6767 -6.2770 -6.2770 2.4779 2.4779 2.9413 2.9413 4.8277 4.8277 6.0016 6.0016 6.6444 6.6444 7.0452 7.0452 7.3163 7.3163 7.7622 7.7622 7.8958 7.8958 8.2983 8.2983 8.7661 8.7661 9.3105 9.3105 15.3720 15.3720 16.0799 16.0799 16.5339 16.5339 16.6100 16.6100 16.7251 16.7251 k =-0.1506 0.3485 0.3796 ( 2711 PWs) bands (ev): -28.5103 -28.5103 -28.4602 -28.4602 -10.9244 -10.9244 -10.2507 -10.2507 -9.9513 -9.9513 -9.5526 -9.5526 -9.4310 -9.4310 -9.3224 -9.3224 -8.4843 -8.4843 -7.6195 -7.6195 -6.6933 -6.6933 -6.2699 -6.2699 2.4742 2.4742 2.9245 2.9245 4.8312 4.8312 6.0515 6.0515 6.5945 6.5945 7.0900 7.0900 7.3516 7.3516 7.7790 7.7790 7.9433 7.9433 8.2882 8.2882 8.7857 8.7857 9.3004 9.3004 15.3332 15.3332 16.0689 16.0689 16.5016 16.5016 16.5500 16.5500 16.6593 16.6593 k =-0.1450 0.3355 0.3656 ( 2711 PWs) bands (ev): -28.5116 -28.5116 -28.4604 -28.4604 -10.9399 -10.9399 -10.2284 -10.2284 -9.9377 -9.9377 -9.5503 -9.5503 -9.4324 -9.4324 -9.3222 -9.3222 -8.5114 -8.5114 -7.5976 -7.5976 -6.7105 -6.7105 -6.2631 -6.2631 2.4715 2.4715 2.9075 2.9075 4.8350 4.8350 6.1029 6.1029 6.5420 6.5420 7.1358 7.1358 7.3883 7.3883 7.7965 7.7965 7.9933 7.9933 8.2775 8.2775 8.8058 8.8058 9.2894 9.2894 15.2968 15.2968 16.0512 16.0512 16.4694 16.4694 16.4896 16.4896 16.5926 16.5926 k =-0.1395 0.3226 0.3515 ( 2713 PWs) bands (ev): -28.5128 -28.5128 -28.4607 -28.4607 -10.9558 -10.9558 -10.2050 -10.2050 -9.9236 -9.9236 -9.5480 -9.5480 -9.4337 -9.4337 -9.3221 -9.3221 -8.5386 -8.5386 -7.5762 -7.5762 -6.7281 -6.7281 -6.2564 -6.2564 2.4700 2.4700 2.8905 2.8905 4.8392 4.8392 6.1557 6.1557 6.4876 6.4876 7.1824 7.1824 7.4257 7.4257 7.8145 7.8145 8.0456 8.0456 8.2664 8.2664 8.8261 8.8261 9.2774 9.2774 15.2630 15.2630 16.0267 16.0267 16.4248 16.4248 16.4414 16.4414 16.5252 16.5252 k =-0.1339 0.3097 0.3374 ( 2717 PWs) bands (ev): -28.5141 -28.5141 -28.4610 -28.4610 -10.9720 -10.9720 -10.1807 -10.1807 -9.9092 -9.9092 -9.5456 -9.5456 -9.4348 -9.4348 -9.3221 -9.3221 -8.5659 -8.5659 -7.5553 -7.5553 -6.7462 -6.7462 -6.2501 -6.2501 2.4696 2.4696 2.8736 2.8736 4.8436 4.8436 6.2098 6.2098 6.4318 6.4318 7.2297 7.2297 7.4631 7.4631 7.8329 7.8329 8.1002 8.1002 8.2549 8.2549 8.8467 8.8467 9.2641 9.2641 15.2320 15.2320 15.9954 15.9954 16.3637 16.3637 16.4100 16.4100 16.4580 16.4580 k =-0.1283 0.2968 0.3234 ( 2713 PWs) bands (ev): -28.5154 -28.5154 -28.4613 -28.4613 -10.9882 -10.9882 -10.1554 -10.1554 -9.8945 -9.8945 -9.5431 -9.5431 -9.4358 -9.4358 -9.3222 -9.3222 -8.5933 -8.5933 -7.5350 -7.5350 -6.7646 -6.7646 -6.2439 -6.2439 2.4704 2.4704 2.8569 2.8569 4.8482 4.8482 6.2650 6.2650 6.3752 6.3752 7.2774 7.2774 7.5004 7.5004 7.8516 7.8516 8.1565 8.1565 8.2434 8.2434 8.8675 8.8675 9.2495 9.2495 15.2042 15.2042 15.9575 15.9575 16.3017 16.3017 16.3790 16.3790 16.3924 16.3924 k =-0.1227 0.2839 0.3093 ( 2713 PWs) bands (ev): -28.5166 -28.5166 -28.4616 -28.4616 -11.0044 -11.0044 -10.1295 -10.1295 -9.8797 -9.8797 -9.5404 -9.5404 -9.4365 -9.4365 -9.3225 -9.3225 -8.6207 -8.6207 -7.5154 -7.5154 -6.7833 -6.7833 -6.2381 -6.2381 2.4723 2.4723 2.8403 2.8403 4.8529 4.8529 6.3155 6.3155 6.3238 6.3238 7.3254 7.3254 7.5373 7.5373 7.8706 7.8706 8.2133 8.2133 8.2329 8.2329 8.8883 8.8883 9.2334 9.2334 15.1796 15.1796 15.9135 15.9135 16.2398 16.2398 16.3233 16.3233 16.3533 16.3533 k =-0.1172 0.2710 0.2953 ( 2715 PWs) bands (ev): -28.5179 -28.5179 -28.4619 -28.4619 -11.0204 -11.0204 -10.1031 -10.1031 -9.8647 -9.8647 -9.5375 -9.5375 -9.4371 -9.4371 -9.3229 -9.3229 -8.6482 -8.6482 -7.4964 -7.4964 -6.8021 -6.8021 -6.2325 -6.2325 2.4754 2.4754 2.8241 2.8241 4.8576 4.8576 6.2600 6.2600 6.3792 6.3792 7.3733 7.3733 7.5735 7.5735 7.8897 7.8897 8.2188 8.2188 8.2751 8.2751 8.9090 8.9090 9.2157 9.2157 15.1585 15.1585 15.8639 15.8639 16.1783 16.1783 16.2583 16.2583 16.3253 16.3253 k =-0.1116 0.2581 0.2812 ( 2715 PWs) bands (ev): -28.5191 -28.5191 -28.4623 -28.4623 -11.0362 -11.0362 -10.0763 -10.0763 -9.8498 -9.8498 -9.5344 -9.5344 -9.4375 -9.4375 -9.3234 -9.3234 -8.6758 -8.6758 -7.4782 -7.4782 -6.8210 -6.8210 -6.2272 -6.2272 2.4797 2.4797 2.8081 2.8081 4.8623 4.8623 6.2025 6.2025 6.4374 6.4374 7.4211 7.4211 7.6090 7.6090 7.9089 7.9089 8.2074 8.2074 8.3354 8.3354 8.9296 8.9296 9.1965 9.1965 15.1411 15.1411 15.8097 15.8097 16.1173 16.1173 16.1945 16.1945 16.2987 16.2987 k =-0.1060 0.2452 0.2671 ( 2719 PWs) bands (ev): -28.5203 -28.5203 -28.4626 -28.4626 -11.0517 -11.0517 -10.0493 -10.0493 -9.8349 -9.8349 -9.5310 -9.5310 -9.4375 -9.4375 -9.3240 -9.3240 -8.7034 -8.7034 -7.4607 -7.4607 -6.8399 -6.8399 -6.2222 -6.2222 2.4851 2.4851 2.7926 2.7926 4.8670 4.8670 6.1453 6.1453 6.4964 6.4964 7.4684 7.4684 7.6436 7.6436 7.9280 7.9280 8.1961 8.1961 8.3965 8.3965 8.9500 8.9500 9.1755 9.1755 15.1274 15.1274 15.7515 15.7515 16.0570 16.0570 16.1322 16.1322 16.2731 16.2731 k =-0.1004 0.2323 0.2531 ( 2711 PWs) bands (ev): -28.5214 -28.5214 -28.4630 -28.4630 -11.0668 -11.0668 -10.0221 -10.0221 -9.8201 -9.8201 -9.5273 -9.5273 -9.4372 -9.4372 -9.3247 -9.3247 -8.7311 -8.7311 -7.4441 -7.4441 -6.8586 -6.8586 -6.2174 -6.2174 2.4915 2.4915 2.7776 2.7776 4.8715 4.8715 6.0886 6.0886 6.5560 6.5560 7.5151 7.5151 7.6772 7.6772 7.9470 7.9470 8.1851 8.1851 8.4581 8.4581 8.9701 8.9701 9.1527 9.1527 15.1176 15.1176 15.6904 15.6904 15.9975 15.9975 16.0719 16.0719 16.2487 16.2487 k =-0.0948 0.2194 0.2390 ( 2713 PWs) bands (ev): -28.5226 -28.5226 -28.4633 -28.4633 -11.0814 -11.0814 -9.9951 -9.9951 -9.8057 -9.8057 -9.5232 -9.5232 -9.4366 -9.4366 -9.3256 -9.3256 -8.7588 -8.7588 -7.4282 -7.4282 -6.8772 -6.8772 -6.2130 -6.2130 2.4989 2.4989 2.7631 2.7631 4.8759 4.8759 6.0327 6.0327 6.6159 6.6159 7.5609 7.5609 7.7098 7.7098 7.9656 7.9656 8.1747 8.1747 8.5195 8.5195 8.9897 8.9897 9.1283 9.1283 15.1117 15.1117 15.6273 15.6273 15.9391 15.9391 16.0138 16.0138 16.2254 16.2254 k =-0.0893 0.2065 0.2250 ( 2717 PWs) bands (ev): -28.5237 -28.5237 -28.4637 -28.4637 -11.0954 -11.0954 -9.9683 -9.9683 -9.7915 -9.7915 -9.5187 -9.5187 -9.4356 -9.4356 -9.3267 -9.3267 -8.7866 -8.7866 -7.4132 -7.4132 -6.8954 -6.8954 -6.2089 -6.2089 2.5072 2.5072 2.7492 2.7492 4.8802 4.8802 5.9779 5.9779 6.6759 6.6759 7.6057 7.6057 7.7412 7.7412 7.9839 7.9839 8.1648 8.1648 8.5806 8.5806 9.0087 9.0087 9.1022 9.1022 15.1098 15.1098 15.5630 15.5630 15.8820 15.8820 15.9579 15.9579 16.2032 16.2032 k =-0.0837 0.1936 0.2109 ( 2717 PWs) bands (ev): -28.5247 -28.5247 -28.4640 -28.4640 -11.1089 -11.1089 -9.9421 -9.9421 -9.7777 -9.7777 -9.5136 -9.5136 -9.4341 -9.4341 -9.3278 -9.3278 -8.8143 -8.8143 -7.3991 -7.3991 -6.9132 -6.9132 -6.2051 -6.2051 2.5163 2.5163 2.7359 2.7359 4.8842 4.8842 5.9244 5.9244 6.7358 6.7358 7.6492 7.6492 7.7713 7.7713 8.0017 8.0017 8.1557 8.1557 8.6408 8.6408 9.0266 9.0266 9.0749 9.0749 15.1119 15.1119 15.4984 15.4984 15.8265 15.8265 15.9044 15.9044 16.1822 16.1822 k =-0.0781 0.1807 0.1968 ( 2727 PWs) bands (ev): -28.5257 -28.5257 -28.4644 -28.4644 -11.1217 -11.1217 -9.9166 -9.9166 -9.7643 -9.7643 -9.5080 -9.5080 -9.4322 -9.4322 -9.3292 -9.3292 -8.8420 -8.8420 -7.3859 -7.3859 -6.9305 -6.9305 -6.2015 -6.2015 2.5259 2.5259 2.7232 2.7232 4.8881 4.8881 5.8726 5.8726 6.7952 6.7952 7.6911 7.6911 7.8002 7.8002 8.0189 8.0189 8.1476 8.1476 8.6997 8.6997 9.0365 9.0365 9.0534 9.0534 15.1179 15.1179 15.4341 15.4341 15.7730 15.7730 15.8535 15.8535 16.1624 16.1624 k =-0.0725 0.1678 0.1828 ( 2727 PWs) bands (ev): -28.5267 -28.5267 -28.4647 -28.4647 -11.1337 -11.1337 -9.8920 -9.8920 -9.7514 -9.7514 -9.5017 -9.5017 -9.4298 -9.4298 -9.3308 -9.3308 -8.8697 -8.8697 -7.3736 -7.3736 -6.9472 -6.9472 -6.1982 -6.1982 2.5361 2.5361 2.7113 2.7113 4.8917 4.8917 5.8226 5.8226 6.8538 6.8538 7.7313 7.7313 7.8277 7.8277 8.0354 8.0354 8.1405 8.1405 8.7569 8.7569 9.0113 9.0113 9.0646 9.0646 15.1279 15.1279 15.3708 15.3708 15.7219 15.7219 15.8053 15.8053 16.1439 16.1439 k =-0.0669 0.1549 0.1687 ( 2727 PWs) bands (ev): -28.5275 -28.5275 -28.4650 -28.4650 -11.1451 -11.1451 -9.8686 -9.8686 -9.7390 -9.7390 -9.4947 -9.4947 -9.4269 -9.4269 -9.3325 -9.3325 -8.8972 -8.8972 -7.3622 -7.3622 -6.9631 -6.9631 -6.1952 -6.1952 2.5466 2.5466 2.7001 2.7001 4.8950 4.8950 5.7749 5.7749 6.9112 6.9112 7.7695 7.7695 7.8536 7.8536 8.0511 8.0511 8.1347 8.1347 8.8120 8.8120 8.9796 8.9796 9.0803 9.0803 15.1417 15.1417 15.3093 15.3093 15.6734 15.6734 15.7600 15.7600 16.1267 16.1267 k =-0.0614 0.1420 0.1547 ( 2731 PWs) bands (ev): -28.5284 -28.5284 -28.4653 -28.4653 -11.1557 -11.1557 -9.8469 -9.8469 -9.7270 -9.7270 -9.4867 -9.4867 -9.4235 -9.4235 -9.3344 -9.3344 -8.9247 -8.9247 -7.3517 -7.3517 -6.9783 -6.9783 -6.1925 -6.1925 2.5573 2.5573 2.6897 2.6897 4.8981 4.8981 5.7295 5.7295 6.9671 6.9671 7.8055 7.8055 7.8780 7.8780 8.0657 8.0657 8.1303 8.1303 8.8641 8.8641 8.9469 8.9469 9.0955 9.0955 15.1591 15.1591 15.2501 15.2501 15.6277 15.6277 15.7176 15.7176 16.1107 16.1107 k =-0.0558 0.1291 0.1406 ( 2731 PWs) bands (ev): -28.5292 -28.5292 -28.4656 -28.4656 -11.1654 -11.1654 -9.8269 -9.8269 -9.7154 -9.7154 -9.4778 -9.4778 -9.4196 -9.4196 -9.3366 -9.3366 -8.9518 -8.9518 -7.3422 -7.3422 -6.9925 -6.9925 -6.1901 -6.1901 2.5679 2.5679 2.6801 2.6801 4.9010 4.9010 5.6869 5.6869 7.0209 7.0209 7.8391 7.8391 7.9008 7.9008 8.0792 8.0792 8.1276 8.1276 8.9024 8.9024 8.9243 8.9243 9.1098 9.1098 15.1800 15.1800 15.1939 15.1939 15.5852 15.5852 15.6784 15.6784 16.0962 16.0962 k =-0.0502 0.1162 0.1265 ( 2727 PWs) bands (ev): -28.5299 -28.5299 -28.4659 -28.4659 -11.1743 -11.1743 -9.8091 -9.8091 -9.7044 -9.7044 -9.4678 -9.4678 -9.4153 -9.4153 -9.3389 -9.3389 -8.9787 -8.9787 -7.3335 -7.3335 -7.0056 -7.0056 -6.1879 -6.1879 2.5783 2.5783 2.6714 2.6714 4.9035 4.9035 5.6473 5.6473 7.0722 7.0722 7.8701 7.8701 7.9219 7.9219 8.0912 8.0912 8.1268 8.1268 8.8750 8.8750 8.9635 8.9635 9.1230 9.1230 15.1411 15.1411 15.2040 15.2040 15.5460 15.5460 15.6425 15.6425 16.0829 16.0829 k =-0.0446 0.1032 0.1125 ( 2727 PWs) bands (ev): -28.5305 -28.5305 -28.4661 -28.4661 -11.1823 -11.1823 -9.7935 -9.7935 -9.6939 -9.6939 -9.4567 -9.4567 -9.4104 -9.4104 -9.3415 -9.3415 -9.0051 -9.0051 -7.3258 -7.3258 -7.0177 -7.0177 -6.1859 -6.1859 2.5883 2.5883 2.6635 2.6635 4.9058 4.9058 5.6110 5.6110 7.1203 7.1203 7.8983 7.8983 7.9411 7.9411 8.1014 8.1014 8.1284 8.1284 8.8408 8.8408 9.0058 9.0058 9.1352 9.1352 15.0922 15.0922 15.2308 15.2308 15.5104 15.5104 15.6100 15.6100 16.0710 16.0710 k =-0.0391 0.0903 0.0984 ( 2727 PWs) bands (ev): -28.5311 -28.5311 -28.4663 -28.4663 -11.1895 -11.1895 -9.7802 -9.7802 -9.6842 -9.6842 -9.4447 -9.4447 -9.4052 -9.4052 -9.3444 -9.3444 -9.0308 -9.0308 -7.3190 -7.3190 -7.0286 -7.0286 -6.1842 -6.1842 2.5977 2.5977 2.6566 2.6566 4.9079 4.9079 5.5782 5.5782 7.1646 7.1646 7.9234 7.9234 7.9586 7.9586 8.1095 8.1095 8.1324 8.1324 8.8067 8.8067 9.0444 9.0444 9.1463 9.1463 15.0479 15.0479 15.2598 15.2598 15.4786 15.4786 15.5810 15.5810 16.0605 16.0605 k =-0.0335 0.0774 0.0844 ( 2729 PWs) bands (ev): -28.5316 -28.5316 -28.4665 -28.4665 -11.1957 -11.1957 -9.7691 -9.7691 -9.6754 -9.6754 -9.4319 -9.4319 -9.3994 -9.3994 -9.3475 -9.3475 -9.0557 -9.0557 -7.3131 -7.3131 -7.0382 -7.0382 -6.1828 -6.1828 2.6062 2.6062 2.6506 2.6506 4.9096 4.9096 5.5492 5.5492 7.2047 7.2047 7.9452 7.9452 7.9742 7.9742 8.1159 8.1159 8.1383 8.1383 8.7739 8.7739 9.0786 9.0786 9.1562 9.1562 15.0084 15.0084 15.2903 15.2903 15.4506 15.4506 15.5557 15.5557 16.0514 16.0514 k =-0.0279 0.0645 0.0703 ( 2741 PWs) bands (ev): -28.5320 -28.5320 -28.4667 -28.4667 -11.2010 -11.2010 -9.7602 -9.7602 -9.6678 -9.6678 -9.4190 -9.4190 -9.3931 -9.3931 -9.3510 -9.3510 -9.0793 -9.0793 -7.3082 -7.3082 -7.0464 -7.0464 -6.1816 -6.1816 2.6137 2.6137 2.6455 2.6455 4.9111 4.9111 5.5242 5.5242 7.2398 7.2398 7.9635 7.9635 7.9878 7.9878 8.1214 8.1214 8.1451 8.1451 8.7432 8.7432 9.1077 9.1077 9.1651 9.1651 14.9743 14.9743 15.3212 15.3212 15.4267 15.4267 15.5340 15.5340 16.0436 16.0436 k =-0.0223 0.0516 0.0562 ( 2745 PWs) bands (ev): -28.5324 -28.5324 -28.4668 -28.4668 -11.2054 -11.2054 -9.7532 -9.7532 -9.6614 -9.6614 -9.4068 -9.4068 -9.3858 -9.3858 -9.3546 -9.3546 -9.1010 -9.1010 -7.3041 -7.3041 -7.0533 -7.0533 -6.1806 -6.1806 2.6199 2.6199 2.6416 2.6416 4.9124 4.9124 5.5034 5.5034 7.2694 7.2694 7.9782 7.9782 7.9995 7.9995 8.1265 8.1265 8.1516 8.1516 8.7156 8.7156 9.1313 9.1313 9.1731 9.1731 14.9459 14.9459 15.3513 15.3513 15.4071 15.4071 15.5162 15.5162 16.0373 16.0373 k =-0.0167 0.0387 0.0422 ( 2753 PWs) bands (ev): -28.5326 -28.5326 -28.4669 -28.4669 -11.2088 -11.2088 -9.7480 -9.7480 -9.6564 -9.6564 -9.3965 -9.3965 -9.3777 -9.3777 -9.3586 -9.3586 -9.1201 -9.1201 -7.3010 -7.3010 -7.0587 -7.0587 -6.1798 -6.1798 2.6245 2.6245 2.6388 2.6388 4.9133 4.9133 5.4871 5.4871 7.2930 7.2930 7.9894 7.9894 8.0091 8.0091 8.1310 8.1310 8.1574 8.1574 8.6924 8.6924 9.1489 9.1489 9.1805 9.1805 14.9235 14.9235 15.3787 15.3787 15.3917 15.3917 15.5023 15.5023 16.0322 16.0322 k =-0.0112 0.0258 0.0281 ( 2749 PWs) bands (ev): -28.5328 -28.5328 -28.4670 -28.4670 -11.2112 -11.2112 -9.7444 -9.7444 -9.6527 -9.6527 -9.3885 -9.3885 -9.3695 -9.3695 -9.3625 -9.3625 -9.1353 -9.1353 -7.2987 -7.2987 -7.0625 -7.0625 -6.1793 -6.1793 2.6273 2.6273 2.6375 2.6375 4.9140 4.9140 5.4753 5.4753 7.3102 7.3102 7.9972 7.9972 8.0163 8.0163 8.1347 8.1347 8.1620 8.1620 8.6746 8.6746 9.1603 9.1603 9.1871 9.1871 14.9073 14.9073 15.3804 15.3804 15.4014 15.4014 15.4923 15.4923 16.0285 16.0291 k =-0.0056 0.0129 0.0141 ( 2753 PWs) bands (ev): -28.5330 -28.5330 -28.4671 -28.4671 -11.2127 -11.2127 -9.7423 -9.7423 -9.6506 -9.6506 -9.3826 -9.3826 -9.3669 -9.3669 -9.3628 -9.3628 -9.1453 -9.1453 -7.2974 -7.2974 -7.0649 -7.0649 -6.1790 -6.1790 2.6284 2.6284 2.6373 2.6373 4.9144 4.9144 5.4682 5.4682 7.3206 7.3206 8.0018 8.0018 8.0207 8.0207 8.1371 8.1371 8.1650 8.1650 8.6634 8.6634 9.1663 9.1663 9.1919 9.1919 14.8975 14.8975 15.3738 15.3738 15.4164 15.4164 15.4863 15.4863 16.0256 16.0282 k = 0.0000 0.0000 0.0000 ( 2753 PWs) bands (ev): -28.5330 -28.5330 -28.4671 -28.4671 -11.2132 -11.2132 -9.7416 -9.7416 -9.6498 -9.6498 -9.3799 -9.3799 -9.3688 -9.3688 -9.3605 -9.3605 -9.1489 -9.1489 -7.2969 -7.2969 -7.0657 -7.0657 -6.1789 -6.1789 2.6285 2.6285 2.6374 2.6374 4.9145 4.9145 5.4658 5.4658 7.3241 7.3241 8.0033 8.0033 8.0222 8.0222 8.1379 8.1379 8.1661 8.1661 8.6596 8.6596 9.1682 9.1682 9.1937 9.1937 14.8942 14.8942 15.3715 15.3715 15.4216 15.4216 15.4843 15.4843 16.0228 16.0237 k = 0.0000 0.0000 0.0000 ( 2753 PWs) bands (ev): -28.5330 -28.5330 -28.4671 -28.4671 -11.2132 -11.2132 -9.7416 -9.7416 -9.6498 -9.6498 -9.3799 -9.3799 -9.3688 -9.3688 -9.3605 -9.3605 -9.1489 -9.1489 -7.2969 -7.2969 -7.0657 -7.0657 -6.1789 -6.1789 2.6285 2.6285 2.6374 2.6374 4.9145 4.9145 5.4658 5.4658 7.3241 7.3241 8.0033 8.0033 8.0222 8.0222 8.1379 8.1379 8.1661 8.1661 8.6596 8.6596 9.1682 9.1682 9.1937 9.1937 14.8942 14.8942 15.3715 15.3715 15.4216 15.4216 15.4843 15.4843 16.0227 16.0227 k = 0.0185 0.0080 0.0000 ( 2753 PWs) bands (ev): -28.5329 -28.5329 -28.4671 -28.4671 -11.2135 -11.2135 -9.7424 -9.7424 -9.6492 -9.6492 -9.3813 -9.3813 -9.3702 -9.3702 -9.3591 -9.3591 -9.1461 -9.1461 -7.2969 -7.2969 -7.0660 -7.0660 -6.1797 -6.1797 2.6286 2.6286 2.6375 2.6375 4.9140 4.9140 5.4682 5.4682 7.3242 7.3242 8.0019 8.0019 8.0209 8.0209 8.1395 8.1395 8.1676 8.1676 8.6572 8.6572 9.1675 9.1675 9.1930 9.1930 14.8966 14.8966 15.3727 15.3727 15.3742 15.3742 15.5337 15.5337 16.0252 16.0252 k = 0.0370 0.0160 0.0000 ( 2760 PWs) bands (ev): -28.5328 -28.5328 -28.4673 -28.4673 -11.2143 -11.2143 -9.7449 -9.7449 -9.6472 -9.6472 -9.3854 -9.3854 -9.3731 -9.3731 -9.3563 -9.3563 -9.1379 -9.1379 -7.2969 -7.2969 -7.0672 -7.0672 -6.1822 -6.1822 2.6287 2.6287 2.6376 2.6376 4.9126 4.9126 5.4755 5.4755 7.3247 7.3247 7.9980 7.9980 8.0171 8.0171 8.1441 8.1441 8.1721 8.1721 8.6501 8.6501 9.1653 9.1653 9.1908 9.1908 14.9039 14.9039 15.3026 15.3026 15.3822 15.3822 15.6054 15.6054 16.0326 16.0327 k = 0.0556 0.0240 0.0000 ( 2768 PWs) bands (ev): -28.5325 -28.5325 -28.4676 -28.4676 -11.2158 -11.2158 -9.7487 -9.7487 -9.6443 -9.6443 -9.3915 -9.3915 -9.3764 -9.3764 -9.3530 -9.3530 -9.1251 -9.1251 -7.2970 -7.2970 -7.0690 -7.0690 -6.1865 -6.1865 2.6290 2.6290 2.6379 2.6379 4.9103 4.9103 5.4874 5.4874 7.3254 7.3254 7.9920 7.9920 8.0112 8.0112 8.1511 8.1511 8.1789 8.1789 8.6384 8.6384 9.1617 9.1617 9.1873 9.1873 14.9158 14.9158 15.2314 15.2314 15.3957 15.3957 15.6790 15.6790 16.0452 16.0454 k = 0.0741 0.0320 0.0000 ( 2772 PWs) bands (ev): -28.5321 -28.5321 -28.4680 -28.4680 -11.2177 -11.2177 -9.7537 -9.7537 -9.6405 -9.6405 -9.3990 -9.3990 -9.3799 -9.3799 -9.3495 -9.3495 -9.1082 -9.1082 -7.2970 -7.2970 -7.0717 -7.0717 -6.1923 -6.1923 2.6293 2.6293 2.6382 2.6382 4.9073 4.9073 5.5037 5.5037 7.3265 7.3265 7.9846 7.9846 8.0038 8.0038 8.1601 8.1601 8.1877 8.1877 8.6222 8.6222 9.1567 9.1567 9.1825 9.1825 14.9319 14.9319 15.1608 15.1608 15.4148 15.4148 15.7530 15.7530 16.0628 16.0662 k = 0.0926 0.0400 0.0000 ( 2768 PWs) bands (ev): -28.5316 -28.5316 -28.4685 -28.4685 -11.2201 -11.2201 -9.7593 -9.7593 -9.6363 -9.6363 -9.4072 -9.4072 -9.3833 -9.3833 -9.3461 -9.3461 -9.0879 -9.0879 -7.2970 -7.2970 -7.0750 -7.0750 -6.1997 -6.1997 2.6298 2.6298 2.6387 2.6387 4.9040 4.9040 5.5241 5.5241 7.3278 7.3278 7.9762 7.9762 7.9955 7.9955 8.1703 8.1703 8.1978 8.1978 8.6017 8.6017 9.1505 9.1505 9.1764 9.1764 14.9520 14.9520 15.0914 15.0914 15.4397 15.4397 15.8267 15.8267 16.0848 16.0855 k = 0.1111 0.0480 0.0000 ( 2764 PWs) bands (ev): -28.5310 -28.5310 -28.4691 -28.4691 -11.2230 -11.2230 -9.7655 -9.7655 -9.6317 -9.6317 -9.4158 -9.4158 -9.3867 -9.3867 -9.3426 -9.3426 -9.0650 -9.0650 -7.2970 -7.2970 -7.0790 -7.0790 -6.2085 -6.2085 2.6303 2.6303 2.6392 2.6392 4.9003 4.9003 5.5483 5.5483 7.3294 7.3294 7.9673 7.9673 7.9866 7.9866 8.1815 8.1815 8.2089 8.2089 8.5771 8.5771 9.1431 9.1431 9.1691 9.1691 14.9754 14.9754 15.0235 15.0235 15.4705 15.4705 15.8998 15.8998 16.1118 16.1130 k = 0.1296 0.0560 0.0000 ( 2756 PWs) bands (ev): -28.5303 -28.5303 -28.4698 -28.4698 -11.2263 -11.2263 -9.7720 -9.7720 -9.6269 -9.6269 -9.4245 -9.4245 -9.3900 -9.3900 -9.3392 -9.3392 -9.0399 -9.0399 -7.2970 -7.2970 -7.0836 -7.0836 -6.2188 -6.2188 2.6309 2.6309 2.6398 2.6398 4.8966 4.8966 5.5758 5.5758 7.3312 7.3312 7.9582 7.9582 7.9774 7.9774 8.1933 8.1933 8.2206 8.2206 8.5487 8.5487 9.1346 9.1346 9.1608 9.1608 14.9573 14.9573 15.0015 15.0015 15.5072 15.5072 15.9721 15.9721 16.1433 16.1440 k = 0.1481 0.0640 0.0000 ( 2748 PWs) bands (ev): -28.5295 -28.5295 -28.4706 -28.4706 -11.2299 -11.2299 -9.7786 -9.7786 -9.6221 -9.6221 -9.4328 -9.4328 -9.3932 -9.3932 -9.3359 -9.3359 -9.0132 -9.0132 -7.2970 -7.2970 -7.0889 -7.0889 -6.2302 -6.2302 2.6315 2.6315 2.6405 2.6405 4.8931 4.8931 5.6064 5.6064 7.3333 7.3333 7.9490 7.9490 7.9681 7.9681 8.2054 8.2054 8.2326 8.2326 8.5168 8.5168 9.1251 9.1251 9.1515 9.1515 14.8931 14.8931 15.0298 15.0298 15.5500 15.5500 16.0432 16.0432 16.1793 16.1825 k = 0.1667 0.0720 0.0000 ( 2752 PWs) bands (ev): -28.5286 -28.5286 -28.4715 -28.4715 -11.2339 -11.2339 -9.7853 -9.7853 -9.6173 -9.6173 -9.4409 -9.4409 -9.3964 -9.3964 -9.3326 -9.3326 -8.9852 -8.9852 -7.2970 -7.2970 -7.0947 -7.0947 -6.2428 -6.2428 2.6322 2.6322 2.6412 2.6412 4.8898 4.8898 5.6396 5.6396 7.3355 7.3355 7.9400 7.9400 7.9590 7.9590 8.2176 8.2176 8.2447 8.2447 8.4817 8.4817 9.1148 9.1148 9.1414 9.1414 14.8310 14.8310 15.0597 15.0597 15.5986 15.5986 16.1128 16.1128 16.2194 16.2218 k = 0.1852 0.0800 0.0000 ( 2756 PWs) bands (ev): -28.5276 -28.5276 -28.4725 -28.4725 -11.2382 -11.2382 -9.7918 -9.7918 -9.6127 -9.6127 -9.4484 -9.4484 -9.3995 -9.3995 -9.3295 -9.3295 -8.9562 -8.9562 -7.2970 -7.2970 -7.1011 -7.1011 -6.2564 -6.2564 2.6330 2.6330 2.6420 2.6420 4.8868 4.8868 5.6751 5.6751 7.3379 7.3379 7.9313 7.9313 7.9501 7.9501 8.2298 8.2298 8.2568 8.2568 8.4438 8.4438 9.1037 9.1037 9.1306 9.1306 14.7710 14.7710 15.0908 15.0908 15.6530 15.6530 16.1806 16.1806 16.2637 16.2643 k = 0.2037 0.0881 0.0000 ( 2756 PWs) bands (ev): -28.5265 -28.5265 -28.4736 -28.4736 -11.2427 -11.2427 -9.7981 -9.7981 -9.6083 -9.6083 -9.4555 -9.4555 -9.4025 -9.4025 -9.3265 -9.3265 -8.9264 -8.9264 -7.2970 -7.2970 -7.1079 -7.1079 -6.2708 -6.2708 2.6338 2.6338 2.6428 2.6428 4.8843 4.8843 5.7125 5.7125 7.3404 7.3404 7.9229 7.9229 7.9415 7.9415 8.2418 8.2418 8.2688 8.2688 8.4035 8.4035 9.0922 9.0922 9.1193 9.1193 14.7136 14.7136 15.1226 15.1226 15.7125 15.7125 16.2464 16.2464 16.3118 16.3140 k = 0.2222 0.0961 0.0000 ( 2760 PWs) bands (ev): -28.5253 -28.5253 -28.4748 -28.4748 -11.2473 -11.2473 -9.8042 -9.8042 -9.6040 -9.6040 -9.4619 -9.4619 -9.4053 -9.4053 -9.3236 -9.3236 -8.8964 -8.8964 -7.2971 -7.2971 -7.1152 -7.1152 -6.2858 -6.2858 2.6347 2.6347 2.6436 2.6436 4.8823 4.8823 5.7514 5.7514 7.3431 7.3431 7.9150 7.9150 7.9334 7.9334 8.2536 8.2536 8.2805 8.2805 8.3612 8.3612 9.0802 9.0802 9.1076 9.1076 14.6587 14.6587 15.1547 15.1547 15.7765 15.7765 16.3098 16.3098 16.3635 16.3670 k = 0.2407 0.1041 0.0000 ( 2760 PWs) bands (ev): -28.5241 -28.5241 -28.4761 -28.4761 -11.2519 -11.2519 -9.8099 -9.8099 -9.6000 -9.6000 -9.4679 -9.4679 -9.4080 -9.4080 -9.3208 -9.3208 -8.8662 -8.8662 -7.2971 -7.2971 -7.1227 -7.1227 -6.3013 -6.3013 2.6355 2.6355 2.6445 2.6445 4.8807 4.8807 5.7915 5.7915 7.3457 7.3457 7.9075 7.9075 7.9257 7.9257 8.2650 8.2650 8.2918 8.2918 8.3174 8.3174 9.0680 9.0680 9.0958 9.0958 14.6067 14.6067 15.1868 15.1868 15.8439 15.8439 16.3704 16.3704 16.4029 16.4030 k = 0.2593 0.1121 0.0000 ( 2752 PWs) bands (ev): -28.5227 -28.5227 -28.4775 -28.4775 -11.2566 -11.2566 -9.8152 -9.8152 -9.5961 -9.5961 -9.4733 -9.4733 -9.4106 -9.4106 -9.3182 -9.3182 -8.8362 -8.8362 -7.2971 -7.2971 -7.1305 -7.1305 -6.3169 -6.3169 2.6364 2.6364 2.6454 2.6454 4.8797 4.8797 5.8324 5.8324 7.3484 7.3484 7.9005 7.9005 7.9185 7.9185 8.2726 8.2726 8.2759 8.2759 8.3026 8.3026 9.0558 9.0558 9.0839 9.0839 14.5576 14.5576 15.2186 15.2186 15.9129 15.9129 16.4176 16.4177 16.4314 16.4314 k = 0.2778 0.1201 0.0000 ( 2740 PWs) bands (ev): -28.5213 -28.5213 -28.4789 -28.4789 -11.2612 -11.2612 -9.8202 -9.8202 -9.5925 -9.5925 -9.4782 -9.4782 -9.4129 -9.4129 -9.3157 -9.3157 -8.8066 -8.8066 -7.2971 -7.2971 -7.1385 -7.1385 -6.3327 -6.3327 2.6372 2.6372 2.6462 2.6462 4.8790 4.8790 5.8737 5.8737 7.3511 7.3511 7.8941 7.8941 7.9119 7.9119 8.2272 8.2272 8.2863 8.2863 8.3129 8.3129 9.0437 9.0437 9.0721 9.0721 14.5117 14.5117 15.2499 15.2499 15.9809 15.9809 16.4372 16.4372 16.4850 16.4850 k = 0.2963 0.1281 0.0000 ( 2740 PWs) bands (ev): -28.5198 -28.5198 -28.4804 -28.4804 -11.2657 -11.2657 -9.8247 -9.8247 -9.5892 -9.5892 -9.4826 -9.4826 -9.4151 -9.4151 -9.3134 -9.3134 -8.7779 -8.7779 -7.2971 -7.2971 -7.1465 -7.1465 -6.3482 -6.3482 2.6381 2.6381 2.6471 2.6471 4.8788 4.8788 5.9150 5.9150 7.3538 7.3538 7.8882 7.8882 7.9058 7.9058 8.1818 8.1818 8.2962 8.2962 8.3226 8.3226 9.0319 9.0319 9.0606 9.0606 14.4688 14.4688 15.2804 15.2804 16.0433 16.0433 16.4562 16.4563 16.5209 16.5209 k = 0.3148 0.1361 0.0000 ( 2720 PWs) bands (ev): -28.5182 -28.5182 -28.4820 -28.4820 -11.2700 -11.2700 -9.8288 -9.8288 -9.5861 -9.5861 -9.4865 -9.4865 -9.4171 -9.4171 -9.3112 -9.3112 -8.7502 -8.7502 -7.2971 -7.2971 -7.1545 -7.1545 -6.3633 -6.3633 2.6389 2.6389 2.6479 2.6479 4.8789 4.8789 5.9557 5.9557 7.3564 7.3564 7.8829 7.8829 7.9003 7.9003 8.1370 8.1370 8.3053 8.3053 8.3316 8.3316 9.0205 9.0205 9.0495 9.0495 14.4293 14.4293 15.3098 15.3098 16.0936 16.0936 16.4759 16.4759 16.5043 16.5043 k = 0.3333 0.1441 0.0000 ( 2724 PWs) bands (ev): -28.5166 -28.5166 -28.4836 -28.4836 -11.2742 -11.2742 -9.8325 -9.8325 -9.5833 -9.5833 -9.4899 -9.4899 -9.4190 -9.4190 -9.3093 -9.3093 -8.7239 -8.7239 -7.2972 -7.2972 -7.1624 -7.1624 -6.3778 -6.3778 2.6397 2.6397 2.6487 2.6487 4.8792 4.8792 5.9953 5.9953 7.3588 7.3588 7.8780 7.8780 7.8952 7.8952 8.0934 8.0934 8.3138 8.3138 8.3399 8.3399 9.0096 9.0096 9.0390 9.0390 14.3931 14.3931 15.3378 15.3378 16.1240 16.1240 16.4962 16.4962 16.5130 16.5130 k = 0.3519 0.1521 0.0000 ( 2732 PWs) bands (ev): -28.5149 -28.5149 -28.4853 -28.4853 -11.2780 -11.2780 -9.8359 -9.8359 -9.5808 -9.5808 -9.4931 -9.4931 -9.4207 -9.4207 -9.3075 -9.3075 -8.6993 -8.6993 -7.2972 -7.2972 -7.1699 -7.1699 -6.3915 -6.3915 2.6404 2.6404 2.6494 2.6494 4.8798 4.8798 6.0333 6.0333 7.3611 7.3611 7.8737 7.8737 7.8908 7.8908 8.0515 8.0515 8.3214 8.3214 8.3474 8.3474 8.9995 8.9995 9.0292 9.0292 14.3604 14.3604 15.3642 15.3642 16.1323 16.1323 16.5170 16.5170 16.5484 16.5484 k = 0.3704 0.1601 0.0000 ( 2732 PWs) bands (ev): -28.5132 -28.5132 -28.4871 -28.4871 -11.2815 -11.2815 -9.8388 -9.8388 -9.5785 -9.5785 -9.4958 -9.4958 -9.4223 -9.4223 -9.3059 -9.3059 -8.6766 -8.6766 -7.2972 -7.2972 -7.1770 -7.1770 -6.4041 -6.4041 2.6410 2.6410 2.6501 2.6501 4.8805 4.8805 6.0692 6.0692 7.3632 7.3632 7.8699 7.8699 7.8869 7.8869 8.0122 8.0122 8.3283 8.3283 8.3541 8.3541 8.9903 8.9903 9.0202 9.0202 14.3314 14.3314 15.3886 15.3886 16.1244 16.1244 16.5381 16.5381 16.6035 16.6035 k = 0.3889 0.1681 0.0000 ( 2732 PWs) bands (ev): -28.5114 -28.5114 -28.4889 -28.4889 -11.2846 -11.2846 -9.8413 -9.8413 -9.5765 -9.5765 -9.4981 -9.4981 -9.4236 -9.4236 -9.3046 -9.3046 -8.6562 -8.6562 -7.2972 -7.2972 -7.1836 -7.1836 -6.4154 -6.4154 2.6416 2.6416 2.6507 2.6507 4.8812 4.8812 6.1022 6.1022 7.3651 7.3651 7.8666 7.8666 7.8835 7.8835 7.9760 7.9760 8.3343 8.3343 8.3600 8.3600 8.9820 8.9820 9.0122 9.0122 14.3061 14.3061 15.4106 15.4106 16.1083 16.1083 16.5592 16.5592 16.6686 16.6686 k = 0.4074 0.1761 0.0000 ( 2724 PWs) bands (ev): -28.5096 -28.5096 -28.4907 -28.4907 -11.2873 -11.2873 -9.8434 -9.8434 -9.5748 -9.5748 -9.5000 -9.5000 -9.4247 -9.4247 -9.3033 -9.3033 -8.6384 -8.6384 -7.2972 -7.2972 -7.1895 -7.1895 -6.4254 -6.4254 2.6422 2.6422 2.6512 2.6512 4.8820 4.8820 6.1317 6.1317 7.3667 7.3667 7.8638 7.8638 7.8807 7.8807 7.9438 7.9438 8.3395 8.3395 8.3650 8.3650 8.9748 8.9748 9.0053 9.0053 14.2845 14.2845 15.4300 15.4300 16.0897 16.0897 16.5802 16.5802 16.7364 16.7364 k = 0.4259 0.1841 0.0000 ( 2712 PWs) bands (ev): -28.5077 -28.5077 -28.4925 -28.4925 -11.2895 -11.2895 -9.8451 -9.8451 -9.5734 -9.5734 -9.5015 -9.5015 -9.4256 -9.4256 -9.3024 -9.3024 -8.6233 -8.6233 -7.2972 -7.2972 -7.1945 -7.1945 -6.4337 -6.4337 2.6426 2.6426 2.6517 2.6517 4.8827 4.8827 6.1570 6.1570 7.3681 7.3681 7.8615 7.8615 7.8784 7.8784 7.9164 7.9164 8.3437 8.3437 8.3692 8.3692 8.9688 8.9688 8.9995 8.9995 14.2668 14.2668 15.4465 15.4465 16.0720 16.0720 16.6001 16.6001 16.7865 16.7865 k = 0.4444 0.1921 0.0000 ( 2716 PWs) bands (ev): -28.5059 -28.5059 -28.4944 -28.4944 -11.2913 -11.2913 -9.8464 -9.8464 -9.5723 -9.5723 -9.5027 -9.5027 -9.4264 -9.4264 -9.3016 -9.3016 -8.6115 -8.6115 -7.2972 -7.2972 -7.1985 -7.1985 -6.4404 -6.4404 2.6429 2.6429 2.6520 2.6520 4.8833 4.8833 6.1774 6.1774 7.3692 7.3692 7.8594 7.8594 7.8766 7.8766 7.8944 7.8944 8.3470 8.3470 8.3724 8.3724 8.9640 8.9640 8.9949 8.9949 14.2530 14.2530 15.4596 15.4596 16.0569 16.0569 16.6182 16.6182 16.8039 16.8039 k = 0.4630 0.2001 0.0000 ( 2716 PWs) bands (ev): -28.5040 -28.5040 -28.4963 -28.4963 -11.2925 -11.2925 -9.8474 -9.8474 -9.5715 -9.5715 -9.5036 -9.5036 -9.4269 -9.4269 -9.3011 -9.3011 -8.6028 -8.6028 -7.2972 -7.2972 -7.2015 -7.2015 -6.4452 -6.4452 2.6432 2.6432 2.6523 2.6523 4.8837 4.8837 6.1925 6.1925 7.3700 7.3700 7.8575 7.8575 7.8754 7.8754 7.8786 7.8786 8.3494 8.3494 8.3747 8.3747 8.9606 8.9606 8.9916 8.9916 14.2431 14.2431 15.4692 15.4692 16.0456 16.0456 16.6332 16.6332 16.8161 16.8161 k = 0.4815 0.2081 0.0000 ( 2712 PWs) bands (ev): -28.5021 -28.5021 -28.4982 -28.4982 -11.2933 -11.2933 -9.8479 -9.8479 -9.5711 -9.5711 -9.5040 -9.5040 -9.4272 -9.4272 -9.3007 -9.3007 -8.5976 -8.5976 -7.2972 -7.2972 -7.2033 -7.2033 -6.4481 -6.4481 2.6433 2.6433 2.6524 2.6524 4.8840 4.8840 6.2018 6.2018 7.3705 7.3705 7.8555 7.8555 7.8698 7.8698 7.8746 7.8746 8.3508 8.3508 8.3761 8.3761 8.9585 8.9585 8.9896 8.9896 14.2371 14.2371 15.4751 15.4751 16.0386 16.0386 16.6434 16.6434 16.8231 16.8232 k = 0.5000 0.2161 0.0000 ( 2712 PWs) bands (ev): -28.5005 -28.5005 -28.4998 -28.4998 -11.2936 -11.2936 -9.8481 -9.8481 -9.5709 -9.5709 -9.5042 -9.5042 -9.4273 -9.4273 -9.3006 -9.3006 -8.5958 -8.5958 -7.2972 -7.2972 -7.2039 -7.2039 -6.4491 -6.4491 2.6434 2.6434 2.6525 2.6525 4.8841 4.8841 6.2049 6.2049 7.3707 7.3707 7.8545 7.8545 7.8671 7.8671 7.8744 7.8744 8.3513 8.3513 8.3766 8.3766 8.9578 8.9578 8.9889 8.9889 14.2352 14.2352 15.4770 15.4770 16.0363 16.0363 16.6471 16.6471 16.8253 16.8253 k = 0.5000 0.2161 0.0000 ( 2712 PWs) bands (ev): -28.5005 -28.5005 -28.4998 -28.4998 -11.2936 -11.2936 -9.8481 -9.8481 -9.5709 -9.5709 -9.5042 -9.5042 -9.4273 -9.4273 -9.3006 -9.3006 -8.5958 -8.5958 -7.2972 -7.2972 -7.2039 -7.2039 -6.4491 -6.4491 2.6434 2.6434 2.6525 2.6525 4.8841 4.8841 6.2049 6.2049 7.3707 7.3707 7.8545 7.8545 7.8671 7.8671 7.8744 7.8744 8.3513 8.3513 8.3766 8.3766 8.9578 8.9578 8.9889 8.9889 14.2352 14.2352 15.4770 15.4770 16.0363 16.0363 16.6471 16.6471 16.8253 16.8253 k = 0.4943 0.2292 0.0143 ( 2712 PWs) bands (ev): -28.5004 -28.5004 -28.4998 -28.4998 -11.2932 -11.2932 -9.8483 -9.8483 -9.5713 -9.5713 -9.5044 -9.5044 -9.4277 -9.4277 -9.3010 -9.3010 -8.5953 -8.5953 -7.2977 -7.2977 -7.2030 -7.2030 -6.4491 -6.4491 2.6436 2.6436 2.6527 2.6527 4.8843 4.8843 6.2056 6.2056 7.3673 7.3673 7.8503 7.8503 7.8620 7.8620 7.8732 7.8732 8.3550 8.3550 8.3827 8.3827 8.9565 8.9565 8.9876 8.9876 14.2377 14.2377 15.4778 15.4778 16.0368 16.0368 16.6497 16.6497 16.8241 16.8242 k = 0.4887 0.2424 0.0286 ( 2712 PWs) bands (ev): -28.5003 -28.5003 -28.4997 -28.4997 -11.2922 -11.2922 -9.8488 -9.8488 -9.5725 -9.5725 -9.5051 -9.5051 -9.4287 -9.4287 -9.3022 -9.3022 -8.5938 -8.5938 -7.2991 -7.2991 -7.2000 -7.2000 -6.4491 -6.4491 2.6440 2.6440 2.6534 2.6534 4.8850 4.8850 6.2077 6.2077 7.3568 7.3568 7.8320 7.8320 7.8547 7.8547 7.8699 7.8699 8.3569 8.3569 8.4082 8.4082 8.9526 8.9526 8.9840 8.9840 14.2452 14.2452 15.4802 15.4802 16.0383 16.0383 16.6577 16.6577 16.8207 16.8207 k = 0.4830 0.2555 0.0428 ( 2720 PWs) bands (ev): -28.5001 -28.5001 -28.4996 -28.4996 -11.2905 -11.2905 -9.8497 -9.8497 -9.5745 -9.5745 -9.5062 -9.5062 -9.4303 -9.4303 -9.3041 -9.3041 -8.5914 -8.5914 -7.3015 -7.3015 -7.1950 -7.1950 -6.4491 -6.4491 2.6442 2.6442 2.6549 2.6549 4.8861 4.8861 6.2112 6.2112 7.3383 7.3383 7.8038 7.8038 7.8468 7.8468 7.8649 7.8649 8.3536 8.3536 8.4509 8.4509 8.9456 8.9456 8.9786 8.9786 14.2578 14.2578 15.4842 15.4842 16.0408 16.0408 16.6708 16.6708 16.8151 16.8151 k = 0.4773 0.2686 0.0571 ( 2726 PWs) bands (ev): -28.4999 -28.4999 -28.4995 -28.4995 -11.2881 -11.2881 -9.8510 -9.8510 -9.5772 -9.5772 -9.5080 -9.5080 -9.4325 -9.4325 -9.3067 -9.3067 -8.5880 -8.5880 -7.3048 -7.3048 -7.1882 -7.1882 -6.4490 -6.4490 2.6441 2.6441 2.6576 2.6576 4.8877 4.8877 6.2159 6.2159 7.3107 7.3107 7.7739 7.7739 7.8359 7.8359 7.8589 7.8589 8.3474 8.3474 8.5036 8.5036 8.9349 8.9349 8.9719 8.9719 14.2750 14.2750 15.4897 15.4897 16.0442 16.0442 16.6891 16.6891 16.8080 16.8080 k = 0.4717 0.2817 0.0714 ( 2734 PWs) bands (ev): -28.4996 -28.4996 -28.4993 -28.4993 -11.2851 -11.2851 -9.8527 -9.8527 -9.5807 -9.5807 -9.5105 -9.5105 -9.4348 -9.4348 -9.3098 -9.3098 -8.5837 -8.5837 -7.3091 -7.3091 -7.1795 -7.1795 -6.4490 -6.4490 2.6435 2.6435 2.6616 2.6616 4.8897 4.8897 6.2219 6.2219 7.2732 7.2732 7.7472 7.7472 7.8214 7.8214 7.8521 7.8521 8.3390 8.3390 8.5618 8.5618 8.9204 8.9204 8.9644 8.9644 14.2971 14.2971 15.4967 15.4967 16.0484 16.0484 16.7125 16.7125 16.8000 16.8000 k = 0.4660 0.2948 0.0857 ( 2742 PWs) bands (ev): -28.4992 -28.4992 -28.4991 -28.4991 -11.2814 -11.2814 -9.8549 -9.8549 -9.5849 -9.5849 -9.5138 -9.5138 -9.4373 -9.4373 -9.3135 -9.3135 -8.5785 -8.5785 -7.3142 -7.3142 -7.1691 -7.1691 -6.4489 -6.4489 2.6425 2.6425 2.6667 2.6667 4.8921 4.8921 6.2290 6.2290 7.2257 7.2257 7.7263 7.7263 7.8035 7.8035 7.8444 7.8444 8.3286 8.3286 8.6230 8.6230 8.9020 8.9020 8.9563 8.9563 14.3238 14.3238 15.5052 15.5052 16.0534 16.0534 16.7406 16.7407 16.7921 16.7921 k = 0.4603 0.3079 0.1000 ( 2742 PWs) bands (ev): -28.4989 -28.4989 -28.4987 -28.4987 -11.2771 -11.2771 -9.8576 -9.8576 -9.5899 -9.5899 -9.5182 -9.5182 -9.4396 -9.4396 -9.3174 -9.3174 -8.5725 -8.5725 -7.3203 -7.3203 -7.1569 -7.1569 -6.4489 -6.4489 2.6413 2.6413 2.6729 2.6729 4.8950 4.8950 6.2372 6.2372 7.1692 7.1692 7.7120 7.7120 7.7823 7.7823 7.8357 7.8357 8.3165 8.3165 8.6853 8.6853 8.8801 8.8801 8.9476 8.9476 14.3548 14.3548 15.5152 15.5152 16.0591 16.0591 16.7737 16.7737 16.7849 16.7849 k = 0.4547 0.3210 0.1142 ( 2742 PWs) bands (ev): -28.4986 -28.4986 -28.4982 -28.4982 -11.2721 -11.2721 -9.8608 -9.8608 -9.5955 -9.5955 -9.5237 -9.5237 -9.4416 -9.4416 -9.3216 -9.3216 -8.5658 -8.5658 -7.3273 -7.3273 -7.1432 -7.1432 -6.4489 -6.4489 2.6399 2.6399 2.6802 2.6802 4.8983 4.8983 6.2463 6.2463 7.1053 7.1053 7.7038 7.7038 7.7581 7.7581 7.8261 7.8261 8.3026 8.3026 8.7475 8.7475 8.8550 8.8550 8.9382 8.9382 14.3898 14.3898 15.5265 15.5265 16.0652 16.0652 16.7788 16.7788 16.8115 16.8115 k = 0.4490 0.3341 0.1285 ( 2734 PWs) bands (ev): -28.4983 -28.4983 -28.4976 -28.4976 -11.2665 -11.2665 -9.8646 -9.8646 -9.6017 -9.6017 -9.5303 -9.5303 -9.4431 -9.4431 -9.3259 -9.3259 -8.5583 -8.5583 -7.3352 -7.3352 -7.1280 -7.1280 -6.4488 -6.4488 2.6384 2.6384 2.6884 2.6884 4.9021 4.9021 6.2562 6.2562 7.0356 7.0356 7.7007 7.7007 7.7310 7.7310 7.8156 7.8156 8.2872 8.2872 8.8081 8.8081 8.8279 8.8279 8.9281 8.9281 14.4286 14.4286 15.5392 15.5392 16.0719 16.0719 16.7746 16.7746 16.8535 16.8535 k = 0.4433 0.3472 0.1428 ( 2738 PWs) bands (ev): -28.4979 -28.4979 -28.4969 -28.4969 -11.2603 -11.2603 -9.8692 -9.8692 -9.6086 -9.6086 -9.5382 -9.5382 -9.4441 -9.4441 -9.3302 -9.3302 -8.5501 -8.5501 -7.3440 -7.3440 -7.1115 -7.1115 -6.4488 -6.4488 2.6369 2.6369 2.6975 2.6975 4.9063 4.9063 6.2667 6.2667 6.9617 6.9617 7.7004 7.7004 7.7029 7.7029 7.8042 7.8042 8.2703 8.2703 8.7957 8.7957 8.8696 8.8696 8.9174 8.9174 14.4708 14.4708 15.5533 15.5533 16.0787 16.0787 16.7726 16.7726 16.8997 16.8997 k = 0.4377 0.3603 0.1571 ( 2728 PWs) bands (ev): -28.4976 -28.4976 -28.4962 -28.4962 -11.2536 -11.2536 -9.8744 -9.8744 -9.6161 -9.6161 -9.5469 -9.5469 -9.4446 -9.4446 -9.3344 -9.3344 -8.5414 -8.5414 -7.3536 -7.3536 -7.0938 -7.0938 -6.4488 -6.4488 2.6355 2.6355 2.7074 2.7074 4.9110 4.9110 6.2777 6.2777 6.8848 6.8848 7.6690 7.6690 7.7067 7.7067 7.7920 7.7920 8.2520 8.2520 8.7629 8.7629 8.9042 8.9042 8.9295 8.9295 14.5160 14.5160 15.5688 15.5688 16.0859 16.0859 16.7731 16.7731 16.9498 16.9498 k = 0.4320 0.3734 0.1714 ( 2734 PWs) bands (ev): -28.4972 -28.4972 -28.4954 -28.4954 -11.2463 -11.2463 -9.8806 -9.8806 -9.6243 -9.6243 -9.5564 -9.5564 -9.4446 -9.4446 -9.3385 -9.3385 -8.5322 -8.5322 -7.3642 -7.3642 -7.0749 -7.0749 -6.4489 -6.4489 2.6341 2.6341 2.7183 2.7183 4.9162 4.9162 6.2890 6.2890 6.8058 6.8058 7.6345 7.6345 7.7141 7.7141 7.7790 7.7790 8.2324 8.2324 8.7281 8.7281 8.8925 8.8925 8.9851 8.9851 14.5637 14.5637 15.5859 15.5859 16.0932 16.0932 16.7760 16.7760 17.0035 17.0035 k = 0.4263 0.3865 0.1856 ( 2728 PWs) bands (ev): -28.4968 -28.4968 -28.4946 -28.4946 -11.2385 -11.2385 -9.8875 -9.8875 -9.6331 -9.6331 -9.5662 -9.5662 -9.4440 -9.4440 -9.3423 -9.3423 -8.5224 -8.5224 -7.3755 -7.3755 -7.0551 -7.0551 -6.4490 -6.4490 2.6329 2.6329 2.7299 2.7299 4.9218 4.9218 6.3005 6.3005 6.7256 6.7256 7.5980 7.5980 7.7238 7.7238 7.7654 7.7654 8.2118 8.2118 8.6917 8.6917 8.8795 8.8795 9.0391 9.0391 14.6136 14.6136 15.6047 15.6047 16.1006 16.1006 16.7817 16.7817 17.0605 17.0608 k = 0.4207 0.3996 0.1999 ( 2724 PWs) bands (ev): -28.4963 -28.4963 -28.4937 -28.4937 -11.2302 -11.2302 -9.8954 -9.8954 -9.6428 -9.6428 -9.5761 -9.5761 -9.4432 -9.4432 -9.3458 -9.3458 -8.5122 -8.5122 -7.3876 -7.3876 -7.0345 -7.0345 -6.4491 -6.4491 2.6319 2.6319 2.7423 2.7423 4.9278 4.9278 6.3121 6.3121 6.6446 6.6446 7.5596 7.5596 7.7349 7.7349 7.7516 7.7516 8.1901 8.1901 8.6539 8.6539 8.8658 8.8658 9.0905 9.0905 14.6651 14.6651 15.6254 15.6254 16.1081 16.1081 16.7902 16.7902 17.1207 17.1207 k = 0.4150 0.4128 0.2142 ( 2724 PWs) bands (ev): -28.4959 -28.4959 -28.4927 -28.4927 -11.2214 -11.2214 -9.9043 -9.9043 -9.6534 -9.6534 -9.5857 -9.5857 -9.4420 -9.4420 -9.3490 -9.3490 -8.5016 -8.5016 -7.4006 -7.4006 -7.0132 -7.0132 -6.4492 -6.4492 2.6311 2.6311 2.7554 2.7554 4.9343 4.9343 6.3234 6.3234 6.5635 6.5635 7.5196 7.5196 7.7347 7.7347 7.7503 7.7503 8.1675 8.1675 8.6152 8.6152 8.8516 8.8516 9.1392 9.1392 14.7176 14.7176 15.6483 15.6483 16.1156 16.1156 16.8013 16.8013 17.1855 17.1877 k = 0.4093 0.4259 0.2285 ( 2732 PWs) bands (ev): -28.4954 -28.4954 -28.4918 -28.4918 -11.2122 -11.2122 -9.9141 -9.9141 -9.6651 -9.6651 -9.5947 -9.5947 -9.4405 -9.4405 -9.3520 -9.3520 -8.4906 -8.4906 -7.4143 -7.4143 -6.9912 -6.9912 -6.4494 -6.4494 2.6306 2.6306 2.7692 2.7692 4.9413 4.9413 6.3345 6.3345 6.4825 6.4825 7.4782 7.4782 7.7200 7.7200 7.7644 7.7644 8.1442 8.1442 8.5757 8.5757 8.8369 8.8369 9.1850 9.1850 14.7704 14.7704 15.6738 15.6738 16.1233 16.1233 16.8149 16.8149 17.2411 17.2418 k = 0.4037 0.4390 0.2428 ( 2730 PWs) bands (ev): -28.4950 -28.4950 -28.4908 -28.4908 -11.2026 -11.2026 -9.9248 -9.9248 -9.6779 -9.6779 -9.6027 -9.6027 -9.4388 -9.4388 -9.3545 -9.3545 -8.4793 -8.4793 -7.4287 -7.4287 -6.9689 -6.9689 -6.4496 -6.4496 2.6304 2.6304 2.7837 2.7837 4.9488 4.9488 6.3448 6.3448 6.4024 6.4024 7.4356 7.4356 7.7043 7.7043 7.7803 7.7803 8.1203 8.1203 8.5358 8.5358 8.8218 8.8218 9.2279 9.2279 14.8230 14.8230 15.7023 15.7023 16.1310 16.1310 16.8310 16.8310 17.2587 17.2587 k = 0.3980 0.4521 0.2570 ( 2730 PWs) bands (ev): -28.4945 -28.4945 -28.4897 -28.4897 -11.1926 -11.1926 -9.9365 -9.9365 -9.6917 -9.6917 -9.6096 -9.6096 -9.4368 -9.4368 -9.3568 -9.3568 -8.4676 -8.4676 -7.4438 -7.4438 -6.9461 -6.9461 -6.4498 -6.4498 2.6304 2.6304 2.7986 2.7986 4.9567 4.9567 6.3210 6.3210 6.3566 6.3566 7.3920 7.3920 7.6882 7.6882 7.7974 7.7974 8.0958 8.0958 8.4958 8.4958 8.8065 8.8065 9.2677 9.2677 14.8746 14.8746 15.7341 15.7341 16.1388 16.1388 16.8493 16.8493 17.2755 17.2755 k = 0.3923 0.4652 0.2713 ( 2734 PWs) bands (ev): -28.4940 -28.4940 -28.4886 -28.4886 -11.1823 -11.1823 -9.9490 -9.9490 -9.7065 -9.7065 -9.6155 -9.6155 -9.4348 -9.4348 -9.3588 -9.3588 -8.4558 -8.4558 -7.4597 -7.4597 -6.9232 -6.9232 -6.4501 -6.4501 2.6308 2.6308 2.8141 2.8141 4.9651 4.9651 6.2429 6.2429 6.3654 6.3654 7.3478 7.3478 7.6718 7.6718 7.8155 7.8155 8.0710 8.0710 8.4559 8.4559 8.7909 8.7909 9.3045 9.3045 14.9247 14.9247 15.7697 15.7697 16.1468 16.1468 16.8697 16.8697 17.2922 17.2922 k = 0.3867 0.4783 0.2856 ( 2734 PWs) bands (ev): -28.4936 -28.4936 -28.4875 -28.4875 -11.1716 -11.1716 -9.9622 -9.9622 -9.7220 -9.7220 -9.6203 -9.6203 -9.4326 -9.4326 -9.3604 -9.3604 -8.4436 -8.4436 -7.4761 -7.4761 -6.9002 -6.9002 -6.4503 -6.4503 2.6315 2.6315 2.8301 2.8301 4.9740 4.9740 6.1654 6.1654 6.3742 6.3742 7.3029 7.3029 7.6551 7.6551 7.8344 7.8344 8.0459 8.0459 8.4163 8.4163 8.7752 8.7752 9.3382 9.3382 14.9728 14.9728 15.8094 15.8094 16.1550 16.1550 16.8919 16.8919 17.3090 17.3090 k = 0.3810 0.4914 0.2999 ( 2728 PWs) bands (ev): -28.4931 -28.4931 -28.4864 -28.4864 -11.1607 -11.1607 -9.9761 -9.9761 -9.7382 -9.7382 -9.6240 -9.6240 -9.4303 -9.4303 -9.3618 -9.3618 -8.4312 -8.4312 -7.4932 -7.4932 -6.8772 -6.8772 -6.4505 -6.4505 2.6325 2.6325 2.8464 2.8464 4.9835 4.9835 6.0892 6.0892 6.3822 6.3822 7.2578 7.2578 7.6383 7.6383 7.8540 7.8540 8.0207 8.0207 8.3772 8.3772 8.7594 8.7594 9.3689 9.3689 15.0182 15.0182 15.8536 15.8536 16.1632 16.1632 16.9158 16.9158 17.3261 17.3261 k = 0.3753 0.5045 0.3142 ( 2722 PWs) bands (ev): -28.4926 -28.4926 -28.4852 -28.4852 -11.1495 -11.1495 -9.9906 -9.9906 -9.7548 -9.7548 -9.6270 -9.6270 -9.4279 -9.4279 -9.3629 -9.3629 -8.4185 -8.4185 -7.5108 -7.5108 -6.8542 -6.8542 -6.4506 -6.4506 2.6338 2.6338 2.8630 2.8630 4.9934 4.9934 6.0145 6.0145 6.3895 6.3895 7.2127 7.2127 7.6215 7.6215 7.8743 7.8743 7.9955 7.9955 8.3388 8.3388 8.7437 8.7437 9.3965 9.3965 15.0607 15.0607 15.9023 15.9023 16.1716 16.1716 16.9411 16.9411 17.3434 17.3434 k = 0.3697 0.5176 0.3284 ( 2724 PWs) bands (ev): -28.4922 -28.4922 -28.4841 -28.4841 -11.1381 -11.1381 -10.0057 -10.0057 -9.7718 -9.7718 -9.6291 -9.6291 -9.4255 -9.4255 -9.3638 -9.3638 -8.4056 -8.4056 -7.5290 -7.5290 -6.8316 -6.8316 -6.4508 -6.4508 2.6353 2.6353 2.8798 2.8798 5.0038 5.0038 5.9414 5.9414 6.3959 6.3959 7.1677 7.1677 7.6046 7.6046 7.8950 7.8950 7.9705 7.9705 8.3012 8.3012 8.7281 8.7281 9.4210 9.4210 15.1001 15.1001 15.9554 15.9554 16.1800 16.1800 16.9676 16.9676 17.3608 17.3608 k = 0.3640 0.5307 0.3427 ( 2724 PWs) bands (ev): -28.4918 -28.4918 -28.4829 -28.4829 -11.1264 -11.1264 -10.0210 -10.0210 -9.7888 -9.7888 -9.6306 -9.6306 -9.4230 -9.4230 -9.3644 -9.3644 -8.3926 -8.3926 -7.5476 -7.5476 -6.8092 -6.8092 -6.4508 -6.4508 2.6370 2.6370 2.8968 2.8968 5.0148 5.0148 5.8702 5.8702 6.4016 6.4016 7.1230 7.1230 7.5877 7.5877 7.9163 7.9163 7.9456 7.9456 8.2646 8.2646 8.7128 8.7128 9.4427 9.4427 15.1366 15.1366 16.0127 16.0127 16.1884 16.1884 16.9952 16.9952 17.3782 17.3782 k = 0.3583 0.5438 0.3570 ( 2720 PWs) bands (ev): -28.4914 -28.4914 -28.4817 -28.4817 -11.1146 -11.1146 -10.0367 -10.0367 -9.8059 -9.8059 -9.6314 -9.6314 -9.4206 -9.4206 -9.3649 -9.3649 -8.3792 -8.3792 -7.5668 -7.5668 -6.7872 -6.7872 -6.4507 -6.4507 2.6389 2.6389 2.9138 2.9138 5.0263 5.0263 5.8008 5.8008 6.4065 6.4065 7.0790 7.0790 7.5710 7.5710 7.9211 7.9211 7.9378 7.9378 8.2289 8.2289 8.6977 8.6977 9.4615 9.4615 15.1704 15.1704 16.0738 16.0738 16.1967 16.1967 17.0237 17.0237 17.3954 17.3954 k = 0.3527 0.5569 0.3713 ( 2716 PWs) bands (ev): -28.4910 -28.4910 -28.4805 -28.4805 -11.1026 -11.1026 -10.0526 -10.0526 -9.8230 -9.8230 -9.6318 -9.6318 -9.4182 -9.4182 -9.3652 -9.3652 -8.3657 -8.3657 -7.5864 -7.5864 -6.7657 -6.7657 -6.4506 -6.4506 2.6409 2.6409 2.9308 2.9308 5.0384 5.0384 5.7335 5.7335 6.4108 6.4108 7.0357 7.0357 7.5546 7.5546 7.8971 7.8971 7.9596 7.9596 8.1943 8.1943 8.6830 8.6830 9.4776 9.4776 15.2017 15.2017 16.1380 16.1380 16.2048 16.2048 17.0528 17.0528 17.4110 17.4115 k = 0.3470 0.5700 0.3856 ( 2720 PWs) bands (ev): -28.4907 -28.4907 -28.4793 -28.4793 -11.0905 -11.0905 -10.0686 -10.0686 -9.8399 -9.8399 -9.6316 -9.6316 -9.4159 -9.4159 -9.3653 -9.3653 -8.3520 -8.3520 -7.6064 -7.6064 -6.7448 -6.7448 -6.4502 -6.4502 2.6430 2.6430 2.9477 2.9477 5.0510 5.0510 5.6684 5.6684 6.4144 6.4144 6.9935 6.9935 7.5385 7.5385 7.8736 7.8736 7.9816 7.9816 8.1607 8.1607 8.6687 8.6687 9.4909 9.4909 15.2310 15.2310 16.2048 16.2048 16.2126 16.2126 17.0824 17.0824 17.4084 17.4243 k = 0.3413 0.5832 0.3998 ( 2718 PWs) bands (ev): -28.4904 -28.4904 -28.4781 -28.4781 -11.0783 -11.0783 -10.0846 -10.0846 -9.8567 -9.8567 -9.6310 -9.6310 -9.4136 -9.4136 -9.3651 -9.3651 -8.3380 -8.3380 -7.6267 -7.6267 -6.7246 -6.7246 -6.4497 -6.4497 2.6450 2.6450 2.9644 2.9644 5.0643 5.0643 5.6054 5.6054 6.4177 6.4177 6.9524 6.9524 7.5228 7.5228 7.8508 7.8508 8.0037 8.0037 8.1281 8.1281 8.6551 8.6551 9.5018 9.5018 15.2586 15.2586 16.2196 16.2196 16.2737 16.2737 17.1123 17.1123 17.3986 17.3986 k = 0.3357 0.5963 0.4141 ( 2716 PWs) bands (ev): -28.4901 -28.4901 -28.4769 -28.4769 -11.0660 -11.0660 -10.1006 -10.1006 -9.8731 -9.8731 -9.6301 -9.6301 -9.4115 -9.4115 -9.3648 -9.3648 -8.3237 -8.3237 -7.6474 -7.6474 -6.7051 -6.7051 -6.4490 -6.4490 2.6469 2.6469 2.9808 2.9808 5.0781 5.0781 5.5447 5.5447 6.4206 6.4206 6.9128 6.9128 7.5078 7.5078 7.8287 7.8287 8.0257 8.0257 8.0964 8.0964 8.6420 8.6420 9.5102 9.5102 15.2851 15.2851 16.2261 16.2261 16.3436 16.3436 17.1423 17.1423 17.3896 17.3899 k = 0.3300 0.6094 0.4284 ( 2720 PWs) bands (ev): -28.4899 -28.4899 -28.4758 -28.4758 -11.0537 -11.0537 -10.1165 -10.1165 -9.8893 -9.8893 -9.6289 -9.6289 -9.4095 -9.4095 -9.3644 -9.3644 -8.3092 -8.3092 -7.6684 -7.6684 -6.6864 -6.6864 -6.4481 -6.4481 2.6487 2.6487 2.9967 2.9967 5.0925 5.0925 5.4864 5.4864 6.4234 6.4234 6.8747 6.8747 7.4934 7.4934 7.8074 7.8074 8.0470 8.0470 8.0660 8.0660 8.6296 8.6296 9.5164 9.5164 15.3108 15.3108 16.2316 16.2316 16.4141 16.4141 17.1722 17.1722 17.3791 17.3791 k = 0.3244 0.6225 0.4427 ( 2723 PWs) bands (ev): -28.4897 -28.4897 -28.4746 -28.4746 -11.0412 -11.0412 -10.1323 -10.1323 -9.9051 -9.9051 -9.6274 -9.6274 -9.4077 -9.4077 -9.3637 -9.3637 -8.2944 -8.2944 -7.6897 -7.6897 -6.6686 -6.6686 -6.4469 -6.4469 2.6501 2.6501 3.0121 3.0121 5.1076 5.1076 5.4306 5.4306 6.4263 6.4263 6.8385 6.8385 7.4798 7.4798 7.7870 7.7870 8.0344 8.0344 8.0702 8.0702 8.6179 8.6179 9.5204 9.5204 15.3361 15.3361 16.2361 16.2361 16.4843 16.4843 17.2019 17.2019 17.3672 17.3672 k = 0.3187 0.6356 0.4570 ( 2719 PWs) bands (ev): -28.4896 -28.4896 -28.4735 -28.4735 -11.0287 -11.0287 -10.1479 -10.1479 -9.9204 -9.9204 -9.6257 -9.6257 -9.4061 -9.4061 -9.3629 -9.3629 -8.2794 -8.2794 -7.7112 -7.7112 -6.6517 -6.6517 -6.4454 -6.4454 2.6513 2.6513 3.0268 3.0268 5.1234 5.1234 5.3772 5.3772 6.4294 6.4294 6.8042 6.8042 7.4671 7.4671 7.7676 7.7676 8.0048 8.0048 8.0915 8.0915 8.6071 8.6071 9.5224 9.5224 15.3611 15.3611 16.2391 16.2391 16.5538 16.5538 17.2312 17.2312 17.3539 17.3539 k = 0.3130 0.6487 0.4712 ( 2727 PWs) bands (ev): -28.4895 -28.4895 -28.4724 -28.4724 -11.0163 -11.0163 -10.1634 -10.1634 -9.9353 -9.9353 -9.6237 -9.6237 -9.4047 -9.4047 -9.3619 -9.3619 -8.2641 -8.2641 -7.7329 -7.7329 -6.6358 -6.6358 -6.4436 -6.4436 2.6520 2.6520 3.0409 3.0409 5.1397 5.1397 5.3264 5.3264 6.4330 6.4330 6.7721 6.7721 7.4555 7.4555 7.7493 7.7493 7.9753 7.9753 8.1128 8.1128 8.5971 8.5971 9.5227 9.5227 15.3863 15.3863 16.2406 16.2406 16.6218 16.6218 17.2598 17.2598 17.3392 17.3392 k = 0.3074 0.6618 0.4855 ( 2727 PWs) bands (ev): -28.4894 -28.4894 -28.4714 -28.4714 -11.0037 -11.0037 -10.1786 -10.1786 -9.9496 -9.9496 -9.6216 -9.6216 -9.4035 -9.4035 -9.3607 -9.3607 -8.2484 -8.2484 -7.7548 -7.7548 -6.6210 -6.6210 -6.4415 -6.4415 2.6523 2.6523 3.0541 3.0541 5.1567 5.1567 5.2783 5.2783 6.4372 6.4372 6.7424 6.7424 7.4450 7.4450 7.7321 7.7321 7.9461 7.9461 8.1336 8.1336 8.5881 8.5881 9.5212 9.5212 15.4119 15.4119 16.2402 16.2402 16.6879 16.6879 17.2877 17.2877 17.3230 17.3230 k = 0.3017 0.6749 0.4998 ( 2727 PWs) bands (ev): -28.4895 -28.4895 -28.4703 -28.4703 -10.9912 -10.9912 -10.1936 -10.1936 -9.9633 -9.9633 -9.6193 -9.6193 -9.4025 -9.4025 -9.3594 -9.3594 -8.2325 -8.2325 -7.7767 -7.7767 -6.6072 -6.6072 -6.4390 -6.4390 2.6519 2.6519 3.0663 3.0663 5.1740 5.1740 5.2331 5.2331 6.4424 6.4424 6.7151 6.7151 7.4358 7.4358 7.7160 7.7160 7.9168 7.9168 8.1540 8.1540 8.5800 8.5800 9.5183 9.5183 15.4379 15.4379 16.2378 16.2378 16.7514 16.7514 17.3052 17.3052 17.3152 17.3152 k = 0.2960 0.6880 0.5141 ( 2723 PWs) bands (ev): -28.4895 -28.4895 -28.4693 -28.4693 -10.9787 -10.9787 -10.2083 -10.2083 -9.9763 -9.9763 -9.6168 -9.6168 -9.4018 -9.4018 -9.3579 -9.3579 -8.2164 -8.2164 -7.7987 -7.7987 -6.5946 -6.5946 -6.4362 -6.4362 2.6510 2.6510 3.0775 3.0775 5.1828 5.1828 5.1999 5.1999 6.4486 6.4486 6.6905 6.6905 7.4278 7.4278 7.7011 7.7011 7.8875 7.8875 8.1738 8.1738 8.5730 8.5730 9.5140 9.5140 15.4646 15.4646 16.2330 16.2330 16.8118 16.8118 17.2864 17.2864 17.3412 17.3412 k = 0.2904 0.7011 0.5284 ( 2719 PWs) bands (ev): -28.4897 -28.4897 -28.4684 -28.4684 -10.9662 -10.9662 -10.2228 -10.2228 -9.9886 -9.9886 -9.6143 -9.6143 -9.4013 -9.4013 -9.3563 -9.3563 -8.2000 -8.2000 -7.8207 -7.8207 -6.5832 -6.5832 -6.4330 -6.4330 2.6494 2.6494 3.0876 3.0876 5.1473 5.1473 5.2144 5.2144 6.4562 6.4562 6.6687 6.6687 7.4212 7.4212 7.6876 7.6876 7.8579 7.8579 8.1930 8.1930 8.5671 8.5671 9.5085 9.5085 15.4920 15.4920 16.2257 16.2257 16.8685 16.8685 17.2662 17.2662 17.3664 17.3664 k = 0.2847 0.7142 0.5426 ( 2721 PWs) bands (ev): -28.4898 -28.4898 -28.4674 -28.4674 -10.9538 -10.9538 -10.2371 -10.2371 -10.0001 -10.0001 -9.6117 -9.6117 -9.4011 -9.4011 -9.3546 -9.3546 -8.1836 -8.1836 -7.8425 -7.8425 -6.5729 -6.5729 -6.4294 -6.4294 2.6470 2.6470 3.0964 3.0964 5.1098 5.1098 5.2342 5.2342 6.4652 6.4652 6.6497 6.6497 7.4159 7.4159 7.6753 7.6753 7.8281 7.8281 8.2113 8.2113 8.5623 8.5623 9.5020 9.5020 15.5202 15.5202 16.2156 16.2156 16.9211 16.9211 17.2445 17.2445 17.3904 17.3904 k = 0.2790 0.7273 0.5569 ( 2713 PWs) bands (ev): -28.4901 -28.4901 -28.4666 -28.4666 -10.9414 -10.9414 -10.2511 -10.2511 -10.0108 -10.0108 -9.6090 -9.6090 -9.4010 -9.4010 -9.3527 -9.3527 -8.1671 -8.1671 -7.8641 -7.8641 -6.5640 -6.5640 -6.4255 -6.4255 2.6439 2.6439 3.1040 3.1040 5.0747 5.0747 5.2552 5.2552 6.4759 6.4759 6.6339 6.6339 7.4120 7.4120 7.6643 7.6643 7.7979 7.7979 8.2289 8.2289 8.5587 8.5587 9.4947 9.4947 15.5492 15.5492 16.2027 16.2027 16.9691 16.9691 17.2216 17.2216 17.4133 17.4133 k = 0.2734 0.7404 0.5712 ( 2709 PWs) bands (ev): -28.4904 -28.4904 -28.4657 -28.4657 -10.9292 -10.9292 -10.2649 -10.2649 -10.0204 -10.0204 -9.6062 -9.6062 -9.4012 -9.4012 -9.3509 -9.3509 -8.1510 -8.1510 -7.8850 -7.8850 -6.5563 -6.5563 -6.4211 -6.4211 2.6400 2.6400 3.1101 3.1101 5.0421 5.0421 5.2771 5.2771 6.4883 6.4883 6.6211 6.6211 7.4095 7.4095 7.6547 7.6547 7.7674 7.7674 8.2455 8.2455 8.5563 8.5563 9.4867 9.4867 15.5790 15.5790 16.1867 16.1867 17.0121 17.0121 17.1974 17.1974 17.4350 17.4350 k = 0.2734 0.7404 0.5712 ( 2709 PWs) bands (ev): -28.4904 -28.4904 -28.4657 -28.4657 -10.9292 -10.9292 -10.2649 -10.2649 -10.0204 -10.0204 -9.6062 -9.6062 -9.4012 -9.4012 -9.3509 -9.3509 -8.1510 -8.1510 -7.8850 -7.8850 -6.5563 -6.5563 -6.4211 -6.4211 2.6400 2.6400 3.1101 3.1101 5.0421 5.0421 5.2771 5.2771 6.4883 6.4883 6.6211 6.6211 7.4095 7.4095 7.6547 7.6547 7.7674 7.7674 8.2455 8.2455 8.5563 8.5563 9.4867 9.4867 15.5790 15.5790 16.1867 16.1867 17.0121 17.0121 17.1974 17.1974 17.4350 17.4350 k = 0.2551 0.7368 0.5751 ( 2710 PWs) bands (ev): -28.4905 -28.4905 -28.4655 -28.4655 -10.9256 -10.9256 -10.2698 -10.2698 -10.0218 -10.0218 -9.6056 -9.6056 -9.4012 -9.4012 -9.3506 -9.3506 -8.1466 -8.1466 -7.8907 -7.8907 -6.5543 -6.5543 -6.4198 -6.4198 2.6387 2.6387 3.1116 3.1116 5.0344 5.0344 5.2818 5.2818 6.4936 6.4936 6.6182 6.6182 7.4093 7.4093 7.6524 7.6524 7.7573 7.7573 8.2505 8.2505 8.5558 8.5558 9.4842 9.4842 15.5883 15.5883 16.1807 16.1807 17.0236 17.0236 17.1901 17.1901 17.4402 17.4402 k = 0.2369 0.7332 0.5790 ( 2714 PWs) bands (ev): -28.4906 -28.4906 -28.4652 -28.4652 -10.9215 -10.9215 -10.2769 -10.2769 -10.0209 -10.0209 -9.6054 -9.6054 -9.4011 -9.4011 -9.3507 -9.3507 -8.1422 -8.1422 -7.8965 -7.8965 -6.5522 -6.5522 -6.4183 -6.4183 2.6370 2.6370 3.1129 3.1129 5.0287 5.0287 5.2836 5.2836 6.5019 6.5019 6.6155 6.6155 7.4097 7.4097 7.6501 7.6501 7.7443 7.7443 8.2565 8.2565 8.5554 8.5554 9.4813 9.4813 15.5997 15.5997 16.1722 16.1722 17.0359 17.0359 17.1819 17.1819 17.4439 17.4439 k = 0.2187 0.7296 0.5830 ( 2710 PWs) bands (ev): -28.4908 -28.4908 -28.4650 -28.4650 -10.9170 -10.9170 -10.2858 -10.2858 -10.0180 -10.0180 -9.6056 -9.6056 -9.4009 -9.4009 -9.3511 -9.3511 -8.1379 -8.1379 -7.9023 -7.9023 -6.5500 -6.5500 -6.4168 -6.4168 2.6351 2.6351 3.1140 3.1140 5.0250 5.0250 5.2825 5.2825 6.5130 6.5130 6.6131 6.6131 7.4108 7.4108 7.6481 7.6481 7.7287 7.7287 8.2632 8.2632 8.5551 8.5551 9.4781 9.4781 15.6130 15.6130 16.1615 16.1615 17.0487 17.0487 17.1734 17.1734 17.4461 17.4462 k = 0.2005 0.7260 0.5869 ( 2711 PWs) bands (ev): -28.4910 -28.4910 -28.4647 -28.4647 -10.9121 -10.9121 -10.2961 -10.2961 -10.0134 -10.0134 -9.6060 -9.6060 -9.4007 -9.4007 -9.3520 -9.3520 -8.1335 -8.1335 -7.9080 -7.9080 -6.5478 -6.5478 -6.4153 -6.4153 2.6331 2.6331 3.1151 3.1151 5.0231 5.0231 5.2788 5.2788 6.5267 6.5267 6.6110 6.6110 7.4125 7.4125 7.6462 7.6462 7.7110 7.7110 8.2703 8.2703 8.5548 8.5548 9.4748 9.4748 15.6282 15.6282 16.1485 16.1485 17.0620 17.0620 17.1647 17.1647 17.4464 17.4465 k = 0.1822 0.7224 0.5908 ( 2709 PWs) bands (ev): -28.4911 -28.4911 -28.4644 -28.4644 -10.9070 -10.9070 -10.3073 -10.3073 -10.0076 -10.0076 -9.6068 -9.6068 -9.4003 -9.4003 -9.3531 -9.3531 -8.1292 -8.1292 -7.9137 -7.9137 -6.5455 -6.5455 -6.4138 -6.4138 2.6309 2.6309 3.1160 3.1160 5.0230 5.0230 5.2726 5.2726 6.5424 6.5424 6.6090 6.6090 7.4147 7.4147 7.6444 7.6444 7.6916 7.6916 8.2775 8.2775 8.5545 8.5545 9.4714 9.4714 15.6452 15.6452 16.1335 16.1335 17.0754 17.0754 17.1562 17.1562 17.4446 17.4446 k = 0.1640 0.7188 0.5947 ( 2711 PWs) bands (ev): -28.4913 -28.4913 -28.4641 -28.4641 -10.9017 -10.9017 -10.3190 -10.3190 -10.0009 -10.0009 -9.6078 -9.6078 -9.3998 -9.3998 -9.3546 -9.3546 -8.1250 -8.1250 -7.9192 -7.9192 -6.5433 -6.5433 -6.4123 -6.4123 2.6288 2.6288 3.1169 3.1169 5.0247 5.0247 5.2642 5.2642 6.5597 6.5597 6.6073 6.6073 7.4177 7.4177 7.6424 7.6424 7.6713 7.6713 8.2846 8.2846 8.5543 8.5543 9.4679 9.4679 15.6638 15.6638 16.1165 16.1165 17.0888 17.0888 17.1480 17.1480 17.4406 17.4406 k = 0.1458 0.7152 0.5987 ( 2719 PWs) bands (ev): -28.4915 -28.4915 -28.4639 -28.4639 -10.8964 -10.8964 -10.3308 -10.3308 -9.9939 -9.9939 -9.6091 -9.6091 -9.3992 -9.3992 -9.3563 -9.3563 -8.1210 -8.1210 -7.9245 -7.9245 -6.5412 -6.5412 -6.4110 -6.4110 2.6266 2.6266 3.1176 3.1176 5.0279 5.0279 5.2541 5.2541 6.5780 6.5780 6.6058 6.6058 7.4212 7.4212 7.6384 7.6384 7.6522 7.6522 8.2915 8.2915 8.5541 8.5541 9.4646 9.4646 15.6837 15.6837 16.0978 16.0978 17.1016 17.1016 17.1406 17.1406 17.4349 17.4349 k = 0.1276 0.7116 0.6026 ( 2719 PWs) bands (ev): -28.4917 -28.4917 -28.4637 -28.4637 -10.8912 -10.8912 -10.3423 -10.3423 -9.9867 -9.9867 -9.6105 -9.6105 -9.3986 -9.3986 -9.3581 -9.3581 -8.1171 -8.1171 -7.9295 -7.9295 -6.5392 -6.5392 -6.4097 -6.4097 2.6245 2.6245 3.1182 3.1182 5.0326 5.0326 5.2426 5.2426 6.5964 6.5964 6.6046 6.6046 7.4255 7.4255 7.6234 7.6234 7.6439 7.6439 8.2978 8.2978 8.5539 8.5539 9.4614 9.4614 15.7050 15.7050 16.0776 16.0776 17.1133 17.1133 17.1347 17.1347 17.4278 17.4279 k = 0.1093 0.7080 0.6065 ( 2717 PWs) bands (ev): -28.4918 -28.4918 -28.4635 -28.4635 -10.8863 -10.8863 -10.3529 -10.3529 -9.9798 -9.9798 -9.6120 -9.6120 -9.3979 -9.3979 -9.3599 -9.3599 -8.1135 -8.1135 -7.9341 -7.9341 -6.5373 -6.5373 -6.4086 -6.4086 2.6226 2.6226 3.1187 3.1187 5.0386 5.0386 5.2302 5.2302 6.6032 6.6032 6.6149 6.6149 7.4307 7.4307 7.6022 7.6022 7.6419 7.6419 8.3036 8.3036 8.5537 8.5537 9.4585 9.4585 15.7272 15.7272 16.0563 16.0563 17.1197 17.1197 17.1344 17.1344 17.4200 17.4200 k = 0.0911 0.7044 0.6104 ( 2714 PWs) bands (ev): -28.4920 -28.4920 -28.4633 -28.4633 -10.8817 -10.8817 -10.3626 -10.3626 -9.9734 -9.9734 -9.6135 -9.6135 -9.3971 -9.3971 -9.3618 -9.3618 -8.1103 -8.1103 -7.9382 -7.9382 -6.5357 -6.5357 -6.4076 -6.4076 2.6209 2.6209 3.1192 3.1192 5.0456 5.0456 5.2174 5.2174 6.6023 6.6023 6.6320 6.6320 7.4367 7.4367 7.5806 7.5806 7.6409 7.6409 8.3087 8.3087 8.5535 8.5535 9.4559 9.4559 15.7500 15.7500 16.0341 16.0341 17.1176 17.1176 17.1425 17.1425 17.4118 17.4118 k = 0.0729 0.7008 0.6144 ( 2716 PWs) bands (ev): -28.4921 -28.4921 -28.4631 -28.4631 -10.8777 -10.8777 -10.3709 -10.3709 -9.9678 -9.9678 -9.6149 -9.6149 -9.3963 -9.3963 -9.3635 -9.3635 -8.1075 -8.1075 -7.9418 -7.9418 -6.5343 -6.5343 -6.4068 -6.4068 2.6195 2.6195 3.1195 3.1195 5.0532 5.0532 5.2047 5.2047 6.6015 6.6015 6.6472 6.6472 7.4438 7.4438 7.5596 7.5596 7.6402 7.6402 8.3129 8.3129 8.5534 8.5534 9.4536 9.4536 15.7731 15.7731 16.0116 16.0116 17.1138 17.1138 17.1520 17.1520 17.4038 17.4038 k = 0.0547 0.6972 0.6183 ( 2719 PWs) bands (ev): -28.4922 -28.4922 -28.4630 -28.4630 -10.8744 -10.8744 -10.3777 -10.3777 -9.9632 -9.9632 -9.6161 -9.6161 -9.3956 -9.3956 -9.3650 -9.3650 -8.1052 -8.1052 -7.9447 -7.9447 -6.5331 -6.5331 -6.4061 -6.4061 2.6183 2.6183 3.1198 3.1198 5.0609 5.0609 5.1928 5.1928 6.6009 6.6009 6.6599 6.6599 7.4521 7.4521 7.5398 7.5398 7.6398 7.6398 8.3163 8.3163 8.5532 8.5532 9.4519 9.4519 15.7956 15.7956 15.9895 15.9895 17.1105 17.1105 17.1605 17.1605 17.3966 17.3966 k = 0.0364 0.6936 0.6222 ( 2721 PWs) bands (ev): -28.4923 -28.4923 -28.4629 -28.4629 -10.8720 -10.8720 -10.3827 -10.3827 -9.9598 -9.9598 -9.6170 -9.6170 -9.3951 -9.3951 -9.3662 -9.3662 -8.1035 -8.1035 -7.9468 -7.9468 -6.5323 -6.5323 -6.4057 -6.4057 2.6175 2.6175 3.1200 3.1200 5.0679 5.0679 5.1828 5.1828 6.6005 6.6005 6.6695 6.6695 7.4617 7.4617 7.5216 7.5216 7.6395 7.6395 8.3188 8.3188 8.5532 8.5532 9.4506 9.4506 15.8161 15.8161 15.9692 15.9692 17.1080 17.1080 17.1672 17.1672 17.3909 17.3909 k = 0.0182 0.6900 0.6261 ( 2722 PWs) bands (ev): -28.4923 -28.4923 -28.4628 -28.4628 -10.8705 -10.8705 -10.3858 -10.3858 -9.9577 -9.9577 -9.6176 -9.6176 -9.3947 -9.3947 -9.3670 -9.3670 -8.1024 -8.1024 -7.9481 -7.9481 -6.5318 -6.5318 -6.4054 -6.4054 2.6169 2.6169 3.1201 3.1201 5.0729 5.0729 5.1759 5.1759 6.6002 6.6002 6.6754 6.6754 7.4721 7.4721 7.5058 7.5058 7.6393 7.6393 8.3202 8.3202 8.5531 8.5531 9.4498 9.4498 15.8320 15.8320 15.9535 15.9535 17.1065 17.1065 17.1714 17.1714 17.3872 17.3872 k = 0.0000 0.6864 0.6301 ( 2724 PWs) bands (ev): -28.4923 -28.4923 -28.4628 -28.4628 -10.8700 -10.8700 -10.3868 -10.3868 -9.9570 -9.9570 -9.6178 -9.6178 -9.3945 -9.3945 -9.3672 -9.3672 -8.1021 -8.1021 -7.9486 -7.9486 -6.5317 -6.5317 -6.4053 -6.4053 2.6168 2.6168 3.1202 3.1202 5.0748 5.0748 5.1734 5.1734 6.6001 6.6001 6.6775 6.6775 7.4792 7.4792 7.4969 7.4969 7.6392 7.6392 8.3207 8.3207 8.5531 8.5531 9.4495 9.4495 15.8384 15.8384 15.9472 15.9472 17.1059 17.1059 17.1729 17.1729 17.3859 17.3859 k = 0.0000 0.6864 0.6301 ( 2724 PWs) bands (ev): -28.4923 -28.4923 -28.4628 -28.4628 -10.8700 -10.8700 -10.3868 -10.3868 -9.9570 -9.9570 -9.6178 -9.6178 -9.3945 -9.3945 -9.3672 -9.3672 -8.1021 -8.1021 -7.9486 -7.9486 -6.5317 -6.5317 -6.4053 -6.4053 2.6168 2.6168 3.1202 3.1202 5.0748 5.0748 5.1734 5.1734 6.6001 6.6001 6.6775 6.6775 7.4792 7.4792 7.4969 7.4969 7.6392 7.6392 8.3207 8.3207 8.5531 8.5531 9.4495 9.4495 15.8384 15.8384 15.9472 15.9472 17.1059 17.1059 17.1729 17.1729 17.3859 17.3859 k = 0.0056 0.6736 0.6441 ( 2726 PWs) bands (ev): -28.4923 -28.4923 -28.4628 -28.4628 -10.8694 -10.8694 -10.3865 -10.3865 -9.9569 -9.9569 -9.6179 -9.6179 -9.3952 -9.3952 -9.3673 -9.3673 -8.1019 -8.1019 -7.9483 -7.9483 -6.5322 -6.5322 -6.4063 -6.4063 2.5956 2.5956 3.1426 3.1426 5.0758 5.0758 5.1736 5.1736 6.5531 6.5531 6.7247 6.7247 7.4789 7.4789 7.4970 7.4970 7.6371 7.6371 8.3243 8.3243 8.5524 8.5524 9.4493 9.4493 15.8372 15.8372 15.9467 15.9467 17.1073 17.1073 17.1734 17.1734 17.3879 17.3879 k = 0.0111 0.6607 0.6581 ( 2726 PWs) bands (ev): -28.4922 -28.4922 -28.4627 -28.4627 -10.8677 -10.8677 -10.3858 -10.3858 -9.9566 -9.9566 -9.6183 -9.6183 -9.3971 -9.3971 -9.3674 -9.3674 -8.1014 -8.1014 -7.9473 -7.9473 -6.5337 -6.5337 -6.4092 -6.4092 2.5405 2.5405 3.2013 3.2013 5.0786 5.0786 5.1744 5.1744 6.4815 6.4815 6.7969 6.7969 7.4780 7.4780 7.4974 7.4974 7.6311 7.6311 8.3347 8.3347 8.5504 8.5504 9.4490 9.4490 15.8339 15.8339 15.9454 15.9454 17.1113 17.1113 17.1751 17.1751 17.3940 17.3940 k = 0.0167 0.6479 0.6721 ( 2720 PWs) bands (ev): -28.4921 -28.4921 -28.4626 -28.4626 -10.8649 -10.8649 -10.3844 -10.3844 -9.9560 -9.9560 -9.6189 -9.6189 -9.4001 -9.4001 -9.3678 -9.3678 -8.1005 -8.1005 -7.9457 -7.9457 -6.5363 -6.5363 -6.4141 -6.4141 2.4662 2.4662 3.2818 3.2818 5.0833 5.0833 5.1757 5.1757 6.4078 6.4078 6.8714 6.8714 7.4758 7.4758 7.4979 7.4979 7.6227 7.6227 8.3513 8.3513 8.5470 8.5470 9.4483 9.4483 15.8286 15.8286 15.9432 15.9432 17.1177 17.1177 17.1778 17.1778 17.4043 17.4043 k = 0.0222 0.6350 0.6861 ( 2718 PWs) bands (ev): -28.4919 -28.4919 -28.4625 -28.4625 -10.8610 -10.8610 -10.3826 -10.3826 -9.9553 -9.9553 -9.6198 -9.6198 -9.4040 -9.4040 -9.3684 -9.3684 -8.0992 -8.0992 -7.9434 -7.9434 -6.5398 -6.5398 -6.4210 -6.4210 2.3823 2.3823 3.3742 3.3742 5.0898 5.0898 5.1775 5.1775 6.3343 6.3343 6.9456 6.9456 7.4712 7.4712 7.4987 7.4987 7.6143 7.6143 8.3733 8.3733 8.5423 8.5423 9.4474 9.4474 15.8212 15.8212 15.9400 15.9400 17.1265 17.1265 17.1816 17.1816 17.4185 17.4186 k = 0.0278 0.6222 0.7001 ( 2720 PWs) bands (ev): -28.4917 -28.4917 -28.4623 -28.4623 -10.8560 -10.8560 -10.3803 -10.3803 -9.9545 -9.9545 -9.6210 -9.6210 -9.4088 -9.4088 -9.3695 -9.3695 -8.0976 -8.0976 -7.9407 -7.9407 -6.5444 -6.5444 -6.4298 -6.4298 2.2938 2.2938 3.4736 3.4736 5.0981 5.0981 5.1797 5.1797 6.2615 6.2615 7.0181 7.0181 7.4629 7.4629 7.4996 7.4996 7.6087 7.6087 8.3998 8.3998 8.5363 8.5363 9.4462 9.4462 15.8121 15.8121 15.9358 15.9358 17.1371 17.1371 17.1862 17.1862 17.4367 17.4367 k = 0.0333 0.6093 0.7141 ( 2714 PWs) bands (ev): -28.4914 -28.4914 -28.4620 -28.4620 -10.8499 -10.8499 -10.3775 -10.3775 -9.9535 -9.9535 -9.6224 -9.6224 -9.4142 -9.4142 -9.3709 -9.3709 -8.0956 -8.0956 -7.9373 -7.9373 -6.5499 -6.5499 -6.4405 -6.4405 2.2034 2.2034 3.5773 3.5773 5.1082 5.1082 5.1823 5.1823 6.1899 6.1899 7.0874 7.0874 7.4507 7.4507 7.5007 7.5007 7.6084 7.6084 8.4298 8.4298 8.5292 8.5292 9.4448 9.4448 15.8014 15.8014 15.9304 15.9304 17.1496 17.1496 17.1917 17.1917 17.4587 17.4602 k = 0.0389 0.5964 0.7281 ( 2716 PWs) bands (ev): -28.4911 -28.4911 -28.4617 -28.4617 -10.8427 -10.8427 -10.3742 -10.3742 -9.9524 -9.9524 -9.6242 -9.6242 -9.4202 -9.4202 -9.3728 -9.3728 -8.0932 -8.0932 -7.9335 -7.9335 -6.5564 -6.5564 -6.4530 -6.4530 2.1125 2.1125 3.6839 3.6839 5.1200 5.1200 5.1851 5.1851 6.1197 6.1197 7.1508 7.1508 7.4358 7.4358 7.5018 7.5018 7.6153 7.6153 8.4622 8.4622 8.5210 8.5210 9.4431 9.4431 15.7895 15.7895 15.9238 15.9238 17.1633 17.1633 17.1976 17.1976 17.4584 17.4584 k = 0.0444 0.5836 0.7421 ( 2724 PWs) bands (ev): -28.4907 -28.4907 -28.4614 -28.4614 -10.8345 -10.8345 -10.3705 -10.3705 -9.9512 -9.9512 -9.6262 -9.6262 -9.4267 -9.4267 -9.3752 -9.3752 -8.0905 -8.0905 -7.9292 -7.9292 -6.5639 -6.5639 -6.4674 -6.4674 2.0219 2.0219 3.7924 3.7924 5.1335 5.1335 5.1880 5.1880 6.0513 6.0513 7.2036 7.2036 7.4227 7.4227 7.5031 7.5031 7.6301 7.6301 8.4944 8.4944 8.5140 8.5140 9.4412 9.4412 15.7764 15.7764 15.9158 15.9158 17.1780 17.1780 17.2037 17.2037 17.4370 17.4371 k = 0.0500 0.5707 0.7561 ( 2722 PWs) bands (ev): -28.4903 -28.4903 -28.4610 -28.4610 -10.8253 -10.8253 -10.3664 -10.3664 -9.9500 -9.9500 -9.6284 -9.6284 -9.4335 -9.4335 -9.3780 -9.3780 -8.0874 -8.0874 -7.9246 -7.9246 -6.5722 -6.5722 -6.4835 -6.4835 1.9322 1.9322 3.9023 3.9023 5.1486 5.1486 5.1909 5.1909 5.9848 5.9848 7.2372 7.2372 7.4193 7.4193 7.5046 7.5046 7.6537 7.6537 8.4978 8.4978 8.5362 8.5362 9.4390 9.4390 15.7625 15.7625 15.9064 15.9064 17.1928 17.1928 17.2097 17.2097 17.4184 17.4184 k = 0.0556 0.5579 0.7701 ( 2724 PWs) bands (ev): -28.4898 -28.4898 -28.4606 -28.4606 -10.8151 -10.8151 -10.3618 -10.3618 -9.9487 -9.9487 -9.6310 -9.6310 -9.4406 -9.4406 -9.3812 -9.3812 -8.0839 -8.0839 -7.9196 -7.9196 -6.5815 -6.5815 -6.5014 -6.5014 1.8436 1.8436 4.0132 4.0132 5.1651 5.1651 5.1935 5.1935 5.9206 5.9206 7.2444 7.2444 7.4324 7.4324 7.5062 7.5062 7.6870 7.6870 8.4867 8.4867 8.5726 8.5726 9.4367 9.4367 15.7479 15.7479 15.8956 15.8956 17.2042 17.2042 17.2180 17.2180 17.4042 17.4042 k = 0.0611 0.5450 0.7841 ( 2722 PWs) bands (ev): -28.4893 -28.4893 -28.4602 -28.4602 -10.8039 -10.8039 -10.3570 -10.3570 -9.9475 -9.9475 -9.6337 -9.6337 -9.4477 -9.4477 -9.3848 -9.3848 -8.0801 -8.0801 -7.9143 -7.9143 -6.5915 -6.5915 -6.5210 -6.5210 1.7565 1.7565 4.1247 4.1247 5.1830 5.1830 5.1956 5.1956 5.8591 5.8591 7.2299 7.2299 7.4570 7.4570 7.5081 7.5081 7.7304 7.7304 8.4740 8.4740 8.6104 8.6104 9.4341 9.4341 15.7328 15.7328 15.8832 15.8832 17.2070 17.2070 17.2325 17.2325 17.3958 17.3958 k = 0.0667 0.5322 0.7981 ( 2720 PWs) bands (ev): -28.4888 -28.4888 -28.4597 -28.4597 -10.7918 -10.7918 -10.3517 -10.3517 -9.9463 -9.9463 -9.6368 -9.6368 -9.4549 -9.4549 -9.3887 -9.3887 -8.0759 -8.0759 -7.9087 -7.9087 -6.6024 -6.6024 -6.5421 -6.5421 1.6710 1.6710 4.2366 4.2366 5.1958 5.1958 5.2031 5.2031 5.8008 5.8008 7.2037 7.2037 7.4836 7.4836 7.5105 7.5105 7.7830 7.7830 8.4602 8.4602 8.6485 8.6485 9.4313 9.4313 15.7174 15.7174 15.8692 15.8692 17.2035 17.2035 17.2497 17.2497 17.3945 17.3945 k = 0.0722 0.5193 0.8121 ( 2714 PWs) bands (ev): -28.4882 -28.4882 -28.4592 -28.4592 -10.7787 -10.7787 -10.3462 -10.3462 -9.9453 -9.9453 -9.6400 -9.6400 -9.4620 -9.4620 -9.3929 -9.3929 -8.0713 -8.0713 -7.9030 -7.9030 -6.6140 -6.6140 -6.5648 -6.5648 1.5873 1.5873 4.3486 4.3486 5.1956 5.1956 5.2234 5.2234 5.7463 5.7463 7.1717 7.1717 7.5061 7.5061 7.5154 7.5154 7.8431 7.8431 8.4454 8.4454 8.6868 8.6868 9.4283 9.4283 15.7019 15.7019 15.8536 15.8536 17.1958 17.1958 17.2678 17.2678 17.4004 17.4004 k = 0.0778 0.5065 0.8261 ( 2712 PWs) bands (ev): -28.4876 -28.4876 -28.4587 -28.4587 -10.7649 -10.7649 -10.3404 -10.3404 -9.9444 -9.9444 -9.6433 -9.6433 -9.4690 -9.4690 -9.3974 -9.3974 -8.0664 -8.0664 -7.8972 -7.8972 -6.6264 -6.6264 -6.5890 -6.5890 1.5055 1.5055 4.4605 4.4605 5.1928 5.1928 5.2451 5.2451 5.6963 5.6963 7.1369 7.1369 7.5130 7.5130 7.5336 7.5336 7.9084 7.9084 8.4299 8.4299 8.7248 8.7248 9.4252 9.4252 15.6862 15.6862 15.8365 15.8365 17.1848 17.1848 17.2863 17.2863 17.4126 17.4126 k = 0.0833 0.4936 0.8401 ( 2716 PWs) bands (ev): -28.4870 -28.4870 -28.4581 -28.4581 -10.7502 -10.7502 -10.3344 -10.3344 -9.9438 -9.9438 -9.6468 -9.6468 -9.4759 -9.4759 -9.4021 -9.4021 -8.0611 -8.0611 -7.8913 -7.8913 -6.6394 -6.6394 -6.6146 -6.6146 1.4257 1.4257 4.5722 4.5722 5.1868 5.1868 5.2679 5.2679 5.6517 5.6517 7.1006 7.1006 7.5160 7.5160 7.5540 7.5540 7.9773 7.9773 8.4135 8.4135 8.7624 8.7624 9.4219 9.4219 15.6705 15.6705 15.8179 15.8179 17.1718 17.1718 17.3051 17.3051 17.4300 17.4300 k = 0.0889 0.4808 0.8541 ( 2718 PWs) bands (ev): -28.4863 -28.4863 -28.4575 -28.4575 -10.7348 -10.7348 -10.3282 -10.3282 -9.9434 -9.9434 -9.6503 -9.6503 -9.4825 -9.4825 -9.4069 -9.4069 -8.0555 -8.0555 -7.8854 -7.8854 -6.6531 -6.6531 -6.6415 -6.6415 1.3480 1.3480 4.6834 4.6834 5.1769 5.1769 5.2916 5.2916 5.6134 5.6134 7.0634 7.0634 7.5188 7.5188 7.5733 7.5733 8.0482 8.0482 8.3964 8.3964 8.7995 8.7995 9.4184 9.4184 15.6548 15.6548 15.7979 15.7979 17.1577 17.1577 17.3239 17.3239 17.4515 17.4515 k = 0.0944 0.4679 0.8681 ( 2722 PWs) bands (ev): -28.4856 -28.4856 -28.4569 -28.4569 -10.7187 -10.7187 -10.3220 -10.3220 -9.9433 -9.9433 -9.6538 -9.6538 -9.4888 -9.4888 -9.4118 -9.4118 -8.0495 -8.0495 -7.8795 -7.8795 -6.6698 -6.6698 -6.6671 -6.6671 1.2725 1.2725 4.7939 4.7939 5.1623 5.1623 5.3162 5.3162 5.5823 5.5823 7.0259 7.0259 7.5218 7.5218 7.5916 7.5916 8.1203 8.1203 8.3788 8.3788 8.8358 8.8358 9.4148 9.4148 15.6392 15.6392 15.7768 15.7768 17.1433 17.1433 17.3428 17.3428 17.4761 17.4761 k = 0.1000 0.4551 0.8821 ( 2724 PWs) bands (ev): -28.4849 -28.4849 -28.4563 -28.4563 -10.7020 -10.7020 -10.3157 -10.3157 -9.9436 -9.9436 -9.6571 -9.6571 -9.4949 -9.4949 -9.4168 -9.4168 -8.0432 -8.0432 -7.8736 -7.8736 -6.6990 -6.6990 -6.6819 -6.6819 1.1992 1.1992 4.9034 4.9034 5.1425 5.1425 5.3415 5.3415 5.5588 5.5588 6.9883 6.9883 7.5248 7.5248 7.6094 7.6094 8.1927 8.1927 8.3605 8.3605 8.8713 8.8713 9.4111 9.4111 15.6237 15.6237 15.7546 15.7546 17.1289 17.1289 17.3615 17.3615 17.5031 17.5031 k = 0.1056 0.4422 0.8961 ( 2722 PWs) bands (ev): -28.4842 -28.4842 -28.4557 -28.4557 -10.6848 -10.6848 -10.3093 -10.3093 -9.9442 -9.9442 -9.6602 -9.6602 -9.5006 -9.5006 -9.4218 -9.4218 -8.0366 -8.0366 -7.8679 -7.8679 -6.7293 -6.7293 -6.6971 -6.6971 1.1282 1.1282 5.0118 5.0118 5.1177 5.1177 5.3675 5.3675 5.5427 5.5427 6.9509 6.9509 7.5281 7.5281 7.6266 7.6266 8.2651 8.2651 8.3419 8.3419 8.9059 8.9059 9.4073 9.4073 15.6083 15.6083 15.7315 15.7315 17.1145 17.1145 17.3800 17.3800 17.5314 17.5314 k = 0.1111 0.4294 0.9101 ( 2722 PWs) bands (ev): -28.4835 -28.4835 -28.4550 -28.4550 -10.6670 -10.6670 -10.3030 -10.3030 -9.9451 -9.9451 -9.6630 -9.6630 -9.5061 -9.5061 -9.4268 -9.4268 -8.0297 -8.0297 -7.8622 -7.8622 -6.7605 -6.7605 -6.7126 -6.7126 1.0596 1.0596 5.0874 5.0874 5.1199 5.1199 5.3941 5.3941 5.5335 5.5335 6.9137 6.9137 7.5316 7.5316 7.6435 7.6435 8.3227 8.3227 8.3369 8.3369 8.9395 8.9395 9.4034 9.4034 15.5930 15.5930 15.7078 15.7078 17.1002 17.1002 17.3983 17.3983 17.5594 17.5594 k = 0.1167 0.4165 0.9241 ( 2726 PWs) bands (ev): -28.4827 -28.4827 -28.4544 -28.4544 -10.6489 -10.6489 -10.2968 -10.2968 -9.9464 -9.9464 -9.6655 -9.6655 -9.5113 -9.5113 -9.4317 -9.4317 -8.0224 -8.0224 -7.8566 -7.8566 -6.7926 -6.7926 -6.7285 -6.7285 0.9933 0.9933 5.0554 5.0554 5.2245 5.2245 5.4214 5.4214 5.5301 5.5301 6.8769 6.8769 7.5352 7.5352 7.6600 7.6600 8.3033 8.3033 8.4079 8.4079 8.9720 8.9720 9.3994 9.3994 15.5779 15.5779 15.6836 15.6836 17.0857 17.0857 17.4161 17.4161 17.5841 17.5841 k = 0.1222 0.4037 0.9381 ( 2728 PWs) bands (ev): -28.4820 -28.4820 -28.4537 -28.4537 -10.6304 -10.6304 -10.2908 -10.2908 -9.9480 -9.9480 -9.6675 -9.6675 -9.5161 -9.5161 -9.4366 -9.4366 -8.0149 -8.0149 -7.8512 -7.8512 -6.8254 -6.8254 -6.7445 -6.7445 0.9295 0.9295 5.0205 5.0205 5.3267 5.3267 5.4501 5.4501 5.5314 5.5314 6.8406 6.8406 7.5391 7.5391 7.6762 7.6762 8.2835 8.2835 8.4777 8.4777 9.0034 9.0034 9.3953 9.3953 15.5628 15.5628 15.6591 15.6591 17.0710 17.0710 17.4334 17.4334 17.5999 17.6000 k = 0.1278 0.3908 0.9521 ( 2726 PWs) bands (ev): -28.4812 -28.4812 -28.4531 -28.4531 -10.6118 -10.6118 -10.2849 -10.2849 -9.9498 -9.9498 -9.6691 -9.6691 -9.5207 -9.5207 -9.4413 -9.4413 -8.0070 -8.0070 -7.8460 -7.8460 -6.8588 -6.8588 -6.7608 -6.7608 0.8681 0.8681 4.9843 4.9843 5.4214 5.4214 5.4847 5.4847 5.5366 5.5366 6.8048 6.8048 7.5432 7.5432 7.6920 7.6920 8.2635 8.2635 8.5463 8.5463 9.0337 9.0337 9.3912 9.3912 15.5478 15.5478 15.6345 15.6345 17.0557 17.0557 17.4500 17.4500 17.5997 17.5997 k = 0.1333 0.3780 0.9661 ( 2722 PWs) bands (ev): -28.4805 -28.4805 -28.4524 -28.4524 -10.5930 -10.5930 -10.2792 -10.2792 -9.9519 -9.9519 -9.6702 -9.6702 -9.5249 -9.5249 -9.4459 -9.4459 -7.9989 -7.9989 -7.8409 -7.8409 -6.8926 -6.8926 -6.7771 -6.7771 0.8092 0.8092 4.9475 4.9475 5.4836 5.4836 5.5439 5.5439 5.5505 5.5505 6.7697 6.7697 7.5476 7.5476 7.7074 7.7074 8.2433 8.2433 8.6133 8.6133 9.0627 9.0627 9.3871 9.3871 15.5328 15.5328 15.6100 15.6100 17.0396 17.0396 17.4658 17.4658 17.5841 17.5841 k = 0.1389 0.3651 0.9801 ( 2718 PWs) bands (ev): -28.4797 -28.4797 -28.4518 -28.4518 -10.5742 -10.5742 -10.2737 -10.2737 -9.9541 -9.9541 -9.6708 -9.6708 -9.5289 -9.5289 -9.4504 -9.4504 -7.9905 -7.9905 -7.8360 -7.8360 -6.9269 -6.9269 -6.7935 -6.7935 0.7529 0.7529 4.9109 4.9109 5.5168 5.5168 5.5552 5.5552 5.6411 5.6411 6.7351 6.7351 7.5522 7.5522 7.7225 7.7225 8.2230 8.2230 8.6784 8.6784 9.0905 9.0905 9.3829 9.3829 15.5180 15.5180 15.5858 15.5858 17.0224 17.0224 17.4802 17.4802 17.5610 17.5610 k = 0.1444 0.3523 0.9941 ( 2718 PWs) bands (ev): -28.4790 -28.4790 -28.4511 -28.4511 -10.5556 -10.5556 -10.2685 -10.2685 -9.9563 -9.9563 -9.6710 -9.6710 -9.5327 -9.5327 -9.4548 -9.4548 -7.9818 -7.9818 -7.8313 -7.8313 -6.9614 -6.9614 -6.8098 -6.8098 0.6992 0.6992 4.8747 4.8747 5.5443 5.5443 5.5679 5.5679 5.7352 5.7352 6.7013 6.7013 7.5570 7.5570 7.7370 7.7370 8.2026 8.2026 8.7417 8.7417 9.1171 9.1171 9.3787 9.3787 15.5032 15.5032 15.5620 15.5620 17.0037 17.0037 17.4926 17.4926 17.5362 17.5362 k = 0.1500 0.3394 1.0081 ( 2724 PWs) bands (ev): -28.4783 -28.4783 -28.4505 -28.4505 -10.5373 -10.5373 -10.2636 -10.2636 -9.9586 -9.9586 -9.6708 -9.6708 -9.5362 -9.5362 -9.4590 -9.4590 -7.9729 -7.9729 -7.8267 -7.8267 -6.9960 -6.9960 -6.8260 -6.8260 0.6480 0.6480 4.8395 4.8395 5.5696 5.5696 5.5826 5.5826 5.8278 5.8278 6.6682 6.6682 7.5622 7.5622 7.7510 7.7510 8.1821 8.1821 8.8027 8.8027 9.1425 9.1425 9.3745 9.3745 15.4884 15.4884 15.5388 15.5388 16.9836 16.9836 17.5013 17.5013 17.5128 17.5128 k = 0.1556 0.3266 1.0221 ( 2720 PWs) bands (ev): -28.4776 -28.4776 -28.4499 -28.4499 -10.5194 -10.5194 -10.2588 -10.2588 -9.9608 -9.9608 -9.6701 -9.6701 -9.5394 -9.5394 -9.4630 -9.4630 -7.9637 -7.9637 -7.8223 -7.8223 -7.0305 -7.0305 -6.8420 -6.8420 0.5995 0.5995 4.8055 4.8055 5.5915 5.5915 5.6007 5.6007 5.9179 5.9179 6.6359 6.6359 7.5676 7.5676 7.7645 7.7645 8.1616 8.1616 8.8614 8.8614 9.1667 9.1667 9.3703 9.3703 15.4738 15.4738 15.5163 15.5163 16.9619 16.9619 17.4901 17.4901 17.5072 17.5072 k = 0.1611 0.3137 1.0361 ( 2714 PWs) bands (ev): -28.4769 -28.4769 -28.4492 -28.4492 -10.5021 -10.5021 -10.2542 -10.2542 -9.9628 -9.9628 -9.6691 -9.6691 -9.5423 -9.5423 -9.4669 -9.4669 -7.9544 -7.9544 -7.8181 -7.8181 -7.0649 -7.0649 -6.8576 -6.8576 0.5536 0.5536 4.7728 4.7728 5.6096 5.6096 5.6227 5.6227 6.0052 6.0052 6.6043 6.6043 7.5734 7.5734 7.7774 7.7774 8.1411 8.1411 8.9176 8.9176 9.1897 9.1897 9.3661 9.3661 15.4593 15.4593 15.4947 15.4947 16.9388 16.9388 17.4718 17.4718 17.5050 17.5050 k = 0.1667 0.3008 1.0501 ( 2716 PWs) bands (ev): -28.4762 -28.4762 -28.4487 -28.4487 -10.4855 -10.4855 -10.2498 -10.2498 -9.9647 -9.9647 -9.6677 -9.6677 -9.5451 -9.5451 -9.4707 -9.4707 -7.9448 -7.9448 -7.8141 -7.8141 -7.0990 -7.0990 -6.8729 -6.8729 0.5104 0.5104 4.7417 4.7417 5.6268 5.6268 5.6453 5.6453 6.0892 6.0892 6.5736 6.5736 7.5796 7.5796 7.7897 7.7897 8.1206 8.1206 8.9710 8.9710 9.2116 9.2116 9.3621 9.3621 15.4450 15.4450 15.4739 15.4739 16.9144 16.9144 17.4565 17.4565 17.4955 17.4956 k = 0.1722 0.2880 1.0641 ( 2716 PWs) bands (ev): -28.4756 -28.4756 -28.4481 -28.4481 -10.4698 -10.4698 -10.2453 -10.2453 -9.9664 -9.9664 -9.6660 -9.6660 -9.5476 -9.5476 -9.4743 -9.4743 -7.9350 -7.9350 -7.8102 -7.8102 -7.1326 -7.1326 -6.8877 -6.8877 0.4699 0.4699 4.7123 4.7123 5.6441 5.6441 5.6672 5.6672 6.1697 6.1697 6.5438 6.5438 7.5861 7.5861 7.8012 7.8012 8.1002 8.1002 9.0213 9.0213 9.2325 9.2325 9.3580 9.3580 15.4310 15.4310 15.4542 15.4542 16.8891 16.8891 17.4443 17.4443 17.4798 17.4798 k = 0.1778 0.2751 1.0781 ( 2718 PWs) bands (ev): -28.4750 -28.4750 -28.4476 -28.4476 -10.4553 -10.4553 -10.2409 -10.2409 -9.9679 -9.9679 -9.6641 -9.6641 -9.5500 -9.5500 -9.4777 -9.4777 -7.9252 -7.9252 -7.8064 -7.8064 -7.1656 -7.1656 -6.9020 -6.9020 0.4322 0.4322 4.6846 4.6846 5.6617 5.6617 5.6882 5.6882 6.2463 6.2463 6.5149 6.5149 7.5931 7.5931 7.8121 7.8121 8.0799 8.0799 9.0684 9.0684 9.2524 9.2524 9.3541 9.3541 15.4173 15.4173 15.4355 15.4355 16.8633 16.8633 17.4350 17.4350 17.4598 17.4598 k = 0.1833 0.2623 1.0921 ( 2716 PWs) bands (ev): -28.4744 -28.4744 -28.4471 -28.4471 -10.4419 -10.4419 -10.2363 -10.2363 -9.9691 -9.9691 -9.6619 -9.6619 -9.5521 -9.5521 -9.4810 -9.4810 -7.9152 -7.9152 -7.8027 -7.8027 -7.1978 -7.1978 -6.9156 -6.9156 0.3971 0.3971 4.6588 4.6588 5.6794 5.6794 5.7081 5.7081 6.3187 6.3187 6.4870 6.4870 7.6005 7.6005 7.8222 7.8222 8.0597 8.0597 9.1120 9.1120 9.2715 9.2715 9.3503 9.3503 15.4040 15.4040 15.4181 15.4181 16.8374 16.8374 17.4284 17.4284 17.4379 17.4379 k = 0.1889 0.2494 1.1061 ( 2712 PWs) bands (ev): -28.4739 -28.4739 -28.4466 -28.4466 -10.4298 -10.4298 -10.2315 -10.2315 -9.9702 -9.9702 -9.6596 -9.6596 -9.5542 -9.5542 -9.4841 -9.4841 -7.9053 -7.9053 -7.7991 -7.7991 -7.2291 -7.2291 -6.9285 -6.9285 0.3648 0.3648 4.6349 4.6349 5.6971 5.6971 5.7267 5.7267 6.3868 6.3868 6.4603 6.4603 7.6084 7.6084 7.8316 7.8316 8.0397 8.0397 9.1517 9.1517 9.2900 9.2900 9.3468 9.3468 15.3913 15.3913 15.4018 15.4018 16.8118 16.8118 17.4149 17.4149 17.4245 17.4245 k = 0.1944 0.2366 1.1201 ( 2714 PWs) bands (ev): -28.4734 -28.4734 -28.4461 -28.4461 -10.4192 -10.4192 -10.2265 -10.2265 -9.9711 -9.9711 -9.6571 -9.6571 -9.5561 -9.5561 -9.4870 -9.4870 -7.8955 -7.8955 -7.7955 -7.7955 -7.2592 -7.2592 -6.9406 -6.9406 0.3352 0.3352 4.6129 4.6129 5.7146 5.7146 5.7440 5.7440 6.4340 6.4340 6.4509 6.4509 7.6167 7.6167 7.8401 7.8401 8.0199 8.0199 9.1871 9.1871 9.3081 9.3081 9.3435 9.3435 15.3791 15.3791 15.3869 15.3869 16.7871 16.7871 17.3927 17.3927 17.4220 17.4220 k = 0.2000 0.2237 1.1341 ( 2710 PWs) bands (ev): -28.4729 -28.4729 -28.4457 -28.4457 -10.4101 -10.4101 -10.2214 -10.2214 -9.9718 -9.9718 -9.6545 -9.6545 -9.5578 -9.5578 -9.4898 -9.4898 -7.8859 -7.8859 -7.7919 -7.7919 -7.2879 -7.2879 -6.9518 -6.9518 0.3084 0.3084 4.5929 4.5929 5.7317 5.7317 5.7600 5.7600 6.4101 6.4101 6.5088 6.5088 7.6256 7.6256 7.8479 7.8479 8.0005 8.0005 9.2179 9.2179 9.3254 9.3254 9.3411 9.3411 15.3677 15.3677 15.3732 15.3732 16.7636 16.7636 17.3714 17.3714 17.4212 17.4213 k = 0.2056 0.2109 1.1481 ( 2714 PWs) bands (ev): -28.4725 -28.4725 -28.4454 -28.4454 -10.4023 -10.4023 -10.2162 -10.2162 -9.9724 -9.9724 -9.6519 -9.6519 -9.5595 -9.5595 -9.4923 -9.4923 -7.8766 -7.8766 -7.7882 -7.7882 -7.3150 -7.3150 -6.9621 -6.9621 0.2844 0.2844 4.5750 4.5750 5.7481 5.7481 5.7745 5.7745 6.3873 6.3873 6.5620 6.5620 7.6348 7.6348 7.8549 7.8549 7.9814 7.9814 9.2439 9.2439 9.3344 9.3344 9.3471 9.3471 15.3570 15.3570 15.3609 15.3609 16.7416 16.7416 17.3517 17.3517 17.4217 17.4217 k = 0.2111 0.1980 1.1621 ( 2710 PWs) bands (ev): -28.4721 -28.4721 -28.4450 -28.4450 -10.3959 -10.3959 -10.2110 -10.2110 -9.9728 -9.9728 -9.6493 -9.6493 -9.5611 -9.5611 -9.4945 -9.4945 -7.8680 -7.8680 -7.7845 -7.7845 -7.3403 -7.3403 -6.9714 -6.9714 0.2632 0.2632 4.5591 4.5591 5.7637 5.7637 5.7876 5.7876 6.3661 6.3661 6.6096 6.6096 7.6445 7.6445 7.8611 7.8611 7.9629 7.9629 9.2652 9.2652 9.3330 9.3330 9.3637 9.3637 15.3474 15.3474 15.3501 15.3501 16.7215 16.7215 17.3338 17.3338 17.4231 17.4231 k = 0.2167 0.1852 1.1761 ( 2712 PWs) bands (ev): -28.4718 -28.4718 -28.4447 -28.4447 -10.3907 -10.3907 -10.2059 -10.2059 -9.9732 -9.9732 -9.6469 -9.6469 -9.5626 -9.5626 -9.4966 -9.4966 -7.8600 -7.8600 -7.7806 -7.7806 -7.3634 -7.3634 -6.9795 -6.9795 0.2449 0.2449 4.5453 4.5453 5.7781 5.7781 5.7992 5.7992 6.3468 6.3468 6.6515 6.6515 7.6543 7.6543 7.8664 7.8664 7.9452 7.9452 9.2821 9.2821 9.3308 9.3308 9.3805 9.3805 15.3387 15.3387 15.3406 15.3406 16.7035 16.7035 17.3179 17.3179 17.4250 17.4250 k = 0.2222 0.1723 1.1901 ( 2710 PWs) bands (ev): -28.4715 -28.4715 -28.4445 -28.4445 -10.3866 -10.3866 -10.2013 -10.2013 -9.9734 -9.9734 -9.6446 -9.6446 -9.5640 -9.5640 -9.4983 -9.4983 -7.8530 -7.8530 -7.7768 -7.7768 -7.3841 -7.3841 -6.9865 -6.9865 0.2293 0.2293 4.5336 4.5336 5.7909 5.7909 5.8093 5.8093 6.3296 6.3296 6.6874 6.6874 7.6642 7.6642 7.8709 7.8709 7.9286 7.9286 9.2953 9.2953 9.3289 9.3289 9.3962 9.3962 15.3312 15.3312 15.3326 15.3326 16.6879 16.6879 17.3042 17.3042 17.4272 17.4272 k = 0.2278 0.1595 1.2041 ( 2706 PWs) bands (ev): -28.4713 -28.4713 -28.4443 -28.4443 -10.3835 -10.3835 -10.1972 -10.1972 -9.9736 -9.9736 -9.6426 -9.6426 -9.5652 -9.5652 -9.4997 -9.4997 -7.8472 -7.8472 -7.7730 -7.7730 -7.4018 -7.4018 -6.9923 -6.9923 0.2165 0.2165 4.5240 4.5240 5.8018 5.8018 5.8181 5.8181 6.3149 6.3149 6.7171 6.7171 7.6737 7.6737 7.8746 7.8746 7.9135 7.9135 9.3051 9.3051 9.3275 9.3275 9.4099 9.4099 15.3249 15.3249 15.3260 15.3260 16.6749 16.6749 17.2929 17.2929 17.4295 17.4295 k = 0.2333 0.1466 1.2181 ( 2708 PWs) bands (ev): -28.4711 -28.4711 -28.4441 -28.4441 -10.3812 -10.3812 -10.1938 -10.1938 -9.9738 -9.9738 -9.6409 -9.6409 -9.5662 -9.5662 -9.5009 -9.5009 -7.8426 -7.8426 -7.7696 -7.7696 -7.4162 -7.4162 -6.9969 -6.9969 0.2066 0.2066 4.5165 4.5165 5.8103 5.8103 5.8253 5.8253 6.3029 6.3029 6.7403 6.7403 7.6823 7.6823 7.8774 7.8774 7.9006 7.9006 9.3119 9.3119 9.3267 9.3267 9.4210 9.4210 15.3198 15.3198 15.3209 15.3209 16.6647 16.6647 17.2840 17.2840 17.4314 17.4314 k = 0.2389 0.1338 1.2321 ( 2706 PWs) bands (ev): -28.4710 -28.4710 -28.4440 -28.4440 -10.3796 -10.3796 -10.1913 -10.1913 -9.9739 -9.9739 -9.6396 -9.6396 -9.5670 -9.5670 -9.5017 -9.5017 -7.8392 -7.8392 -7.7668 -7.7668 -7.4269 -7.4269 -7.0002 -7.0002 0.1995 0.1995 4.5111 4.5111 5.8164 5.8164 5.8308 5.8308 6.2941 6.2941 6.7571 6.7571 7.6894 7.6894 7.8794 7.8794 7.8905 7.8905 9.3160 9.3160 9.3268 9.3268 9.4292 9.4292 15.3162 15.3162 15.3173 15.3173 16.6572 16.6572 17.2776 17.2776 17.4330 17.4330 k = 0.2444 0.1209 1.2461 ( 2708 PWs) bands (ev): -28.4709 -28.4709 -28.4439 -28.4439 -10.3788 -10.3788 -10.1897 -10.1897 -9.9739 -9.9739 -9.6388 -9.6388 -9.5675 -9.5675 -9.5022 -9.5022 -7.8373 -7.8373 -7.7650 -7.7650 -7.4335 -7.4335 -7.0022 -7.0022 0.1953 0.1953 4.5079 4.5079 5.8200 5.8200 5.8343 5.8343 6.2887 6.2887 6.7671 6.7671 7.6941 7.6941 7.8801 7.8801 7.8844 7.8844 9.3177 9.3177 9.3275 9.3275 9.4342 9.4342 15.3140 15.3140 15.3151 15.3151 16.6528 16.6528 17.2737 17.2737 17.4340 17.4340 k = 0.2500 0.1081 1.2601 ( 2704 PWs) bands (ev): -28.4709 -28.4709 -28.4439 -28.4439 -10.3785 -10.3785 -10.1892 -10.1892 -9.9739 -9.9739 -9.6385 -9.6385 -9.5676 -9.5676 -9.5024 -9.5024 -7.8366 -7.8366 -7.7643 -7.7643 -7.4357 -7.4357 -7.0028 -7.0028 0.1938 0.1938 4.5069 4.5069 5.8212 5.8212 5.8355 5.8355 6.2868 6.2868 6.7705 6.7705 7.6957 7.6957 7.8797 7.8797 7.8829 7.8829 9.3182 9.3182 9.3278 9.3278 9.4359 9.4359 15.3133 15.3133 15.3144 15.3144 16.6513 16.6513 17.2724 17.2724 17.4343 17.4343 k = 0.2500 0.1081 1.2601 ( 2704 PWs) bands (ev): -28.4709 -28.4709 -28.4439 -28.4439 -10.3785 -10.3785 -10.1892 -10.1892 -9.9739 -9.9739 -9.6385 -9.6385 -9.5676 -9.5676 -9.5024 -9.5024 -7.8366 -7.8366 -7.7643 -7.7643 -7.4357 -7.4357 -7.0028 -7.0028 0.1938 0.1938 4.5069 4.5069 5.8212 5.8212 5.8355 5.8355 6.2868 6.2868 6.7705 6.7705 7.6957 7.6957 7.8797 7.8797 7.8829 7.8829 9.3182 9.3182 9.3278 9.3278 9.4359 9.4359 15.3133 15.3133 15.3144 15.3144 16.6513 16.6513 17.2724 17.2724 17.4343 17.4343 k = 0.2667 0.1153 1.2523 ( 2712 PWs) bands (ev): -28.4709 -28.4709 -28.4439 -28.4439 -10.3786 -10.3786 -10.1892 -10.1892 -9.9741 -9.9741 -9.6389 -9.6389 -9.5673 -9.5673 -9.5023 -9.5023 -7.8367 -7.8367 -7.7644 -7.7644 -7.4355 -7.4355 -7.0026 -7.0026 0.1940 0.1940 4.5073 4.5073 5.8210 5.8210 5.8353 5.8353 6.2865 6.2865 6.7700 6.7700 7.6958 7.6958 7.8545 7.8545 7.9098 7.9098 9.2815 9.2815 9.3629 9.3629 9.4357 9.4357 15.2672 15.2672 15.3620 15.3620 16.6516 16.6516 17.2727 17.2727 17.4340 17.4340 k = 0.2833 0.1225 1.2444 ( 2706 PWs) bands (ev): -28.4709 -28.4709 -28.4439 -28.4439 -10.3788 -10.3788 -10.1891 -10.1891 -9.9743 -9.9743 -9.6397 -9.6397 -9.5665 -9.5665 -9.5021 -9.5021 -7.8371 -7.8371 -7.7646 -7.7646 -7.4349 -7.4349 -7.0019 -7.0019 0.1946 0.1946 4.5088 4.5088 5.8203 5.8203 5.8350 5.8350 6.2854 6.2854 6.7683 6.7683 7.6960 7.6960 7.8297 7.8297 7.9396 7.9396 9.2394 9.2394 9.4002 9.4002 9.4357 9.4357 15.2229 15.2229 15.4113 15.4113 16.6528 16.6528 17.2735 17.2735 17.4330 17.4330 k = 0.3000 0.1297 1.2366 ( 2704 PWs) bands (ev): -28.4709 -28.4709 -28.4440 -28.4440 -10.3793 -10.3793 -10.1891 -10.1891 -9.9745 -9.9745 -9.6409 -9.6409 -9.5653 -9.5653 -9.5017 -9.5017 -7.8376 -7.8376 -7.7649 -7.7649 -7.4340 -7.4340 -7.0009 -7.0009 0.1955 0.1955 4.5111 4.5111 5.8191 5.8191 5.8347 5.8347 6.2835 6.2835 6.7657 6.7657 7.6964 7.6964 7.8070 7.8070 7.9707 7.9707 9.1964 9.1964 9.4263 9.4263 9.4444 9.4444 15.1811 15.1811 15.4609 15.4609 16.6548 16.6548 17.2748 17.2748 17.4313 17.4313 k = 0.3167 0.1369 1.2287 ( 2702 PWs) bands (ev): -28.4709 -28.4709 -28.4440 -28.4440 -10.3799 -10.3799 -10.1892 -10.1892 -9.9748 -9.9748 -9.6425 -9.6425 -9.5637 -9.5637 -9.5013 -9.5013 -7.8382 -7.8382 -7.7654 -7.7654 -7.4328 -7.4328 -6.9994 -6.9994 0.1968 0.1968 4.5143 4.5143 5.8173 5.8173 5.8345 5.8345 6.2808 6.2808 6.7619 6.7619 7.6969 7.6969 7.7865 7.7865 8.0029 8.0029 9.1530 9.1530 9.4280 9.4280 9.4750 9.4750 15.1422 15.1422 15.5103 15.5103 16.6578 16.6578 17.2767 17.2767 17.4286 17.4286 k = 0.3333 0.1441 1.2209 ( 2704 PWs) bands (ev): -28.4709 -28.4709 -28.4440 -28.4440 -10.3806 -10.3806 -10.1897 -10.1897 -9.9750 -9.9750 -9.6442 -9.6442 -9.5620 -9.5620 -9.5007 -9.5007 -7.8389 -7.8389 -7.7660 -7.7660 -7.4313 -7.4313 -6.9976 -6.9976 0.1986 0.1986 4.5183 4.5183 5.8148 5.8148 5.8346 5.8346 6.2774 6.2774 6.7570 6.7570 7.6974 7.6974 7.7681 7.7681 8.0358 8.0358 9.1096 9.1096 9.4256 9.4256 9.5066 9.5066 15.1066 15.1066 15.5587 15.5587 16.6618 16.6618 17.2788 17.2788 17.4247 17.4247 k = 0.3500 0.1513 1.2130 ( 2704 PWs) bands (ev): -28.4710 -28.4710 -28.4441 -28.4441 -10.3814 -10.3814 -10.1905 -10.1905 -9.9750 -9.9750 -9.6460 -9.6460 -9.5602 -9.5602 -9.5000 -9.5000 -7.8397 -7.8397 -7.7668 -7.7668 -7.4295 -7.4295 -6.9955 -6.9955 0.2008 0.2008 4.5230 4.5230 5.8116 5.8116 5.8351 5.8351 6.2734 6.2734 6.7510 6.7510 7.6978 7.6978 7.7521 7.7521 8.0693 8.0693 9.0666 9.0666 9.4223 9.4223 9.5362 9.5362 15.0746 15.0746 15.6052 15.6052 16.6672 16.6672 17.2810 17.2810 17.4191 17.4192 k = 0.3667 0.1585 1.2052 ( 2710 PWs) bands (ev): -28.4710 -28.4710 -28.4442 -28.4442 -10.3824 -10.3824 -10.1918 -10.1918 -9.9748 -9.9748 -9.6477 -9.6477 -9.5586 -9.5586 -9.4991 -9.4991 -7.8405 -7.8405 -7.7676 -7.7676 -7.4273 -7.4273 -6.9932 -6.9932 0.2035 0.2035 4.5281 4.5281 5.8078 5.8078 5.8358 5.8358 6.2689 6.2689 6.7440 6.7440 7.6980 7.6980 7.7384 7.7384 8.1029 8.1029 9.0246 9.0246 9.4181 9.4181 9.5631 9.5631 15.0464 15.0464 15.6490 15.6490 16.6741 16.6741 17.2825 17.2825 17.4111 17.4111 k = 0.3833 0.1657 1.1973 ( 2712 PWs) bands (ev): -28.4711 -28.4711 -28.4442 -28.4442 -10.3835 -10.3835 -10.1936 -10.1936 -9.9742 -9.9742 -9.6492 -9.6492 -9.5571 -9.5571 -9.4981 -9.4981 -7.8414 -7.8414 -7.7686 -7.7686 -7.4248 -7.4248 -6.9907 -6.9907 0.2067 0.2067 4.5337 4.5337 5.8035 5.8035 5.8367 5.8367 6.2643 6.2643 6.7359 6.7359 7.6978 7.6978 7.7270 7.7270 8.1361 8.1361 8.9842 8.9842 9.4134 9.4134 9.5872 9.5872 15.0222 15.0222 15.6890 15.6890 16.6829 16.6829 17.2824 17.2824 17.3997 17.3997 k = 0.4000 0.1729 1.1895 ( 2712 PWs) bands (ev): -28.4711 -28.4711 -28.4443 -28.4443 -10.3846 -10.3846 -10.1960 -10.1960 -9.9733 -9.9733 -9.6504 -9.6504 -9.5560 -9.5560 -9.4969 -9.4969 -7.8423 -7.8423 -7.7697 -7.7697 -7.4218 -7.4218 -6.9882 -6.9882 0.2103 0.2103 4.5396 4.5396 5.7987 5.7987 5.8379 5.8379 6.2597 6.2597 6.7267 6.7267 7.6972 7.6972 7.7180 7.7180 8.1683 8.1683 8.9460 8.9460 9.4080 9.4080 9.6083 9.6083 15.0023 15.0023 15.7244 15.7244 16.6938 16.6938 17.2783 17.2783 17.3861 17.3861 k = 0.4167 0.1801 1.1816 ( 2710 PWs) bands (ev): -28.4711 -28.4711 -28.4444 -28.4444 -10.3858 -10.3858 -10.1988 -10.1988 -9.9720 -9.9720 -9.6515 -9.6515 -9.5551 -9.5551 -9.4956 -9.4956 -7.8432 -7.8432 -7.7709 -7.7709 -7.4183 -7.4183 -6.9855 -6.9855 0.2145 0.2145 4.5457 4.5457 5.7935 5.7935 5.8392 5.8392 6.2553 6.2553 6.7165 6.7165 7.6960 7.6960 7.7114 7.7114 8.1987 8.1987 8.9110 8.9110 9.4019 9.4019 9.6262 9.6262 14.9867 14.9867 15.7540 15.7540 16.7070 16.7070 17.2674 17.2674 17.3744 17.3744 k = 0.4333 0.1873 1.1738 ( 2709 PWs) bands (ev): -28.4712 -28.4712 -28.4445 -28.4445 -10.3871 -10.3871 -10.2020 -10.2020 -9.9705 -9.9705 -9.6522 -9.6522 -9.5545 -9.5545 -9.4943 -9.4943 -7.8442 -7.8442 -7.7721 -7.7721 -7.4143 -7.4143 -6.9829 -6.9829 0.2193 0.2193 4.5518 4.5518 5.7877 5.7877 5.8406 5.8406 6.2516 6.2516 6.7054 6.7054 7.6940 7.6940 7.7071 7.7071 8.2262 8.2262 8.8802 8.8802 9.3953 9.3953 9.6407 9.6407 14.9755 14.9755 15.7771 15.7771 16.7225 16.7225 17.2489 17.2489 17.3690 17.3690 k = 0.4500 0.1945 1.1659 ( 2711 PWs) bands (ev): -28.4712 -28.4712 -28.4447 -28.4447 -10.3885 -10.3885 -10.2057 -10.2057 -9.9687 -9.9687 -9.6526 -9.6526 -9.5542 -9.5542 -9.4930 -9.4930 -7.8453 -7.8453 -7.7734 -7.7734 -7.4097 -7.4097 -6.9802 -6.9802 0.2245 0.2245 4.5578 4.5578 5.7816 5.7816 5.8422 5.8422 6.2486 6.2486 6.6933 6.6933 7.6912 7.6912 7.7052 7.7052 8.2497 8.2497 8.8548 8.8548 9.3881 9.3881 9.6518 9.6518 14.9689 14.9689 15.7931 15.7931 16.7399 16.7399 17.2263 17.2263 17.3699 17.3700 k = 0.4667 0.2017 1.1581 ( 2710 PWs) bands (ev): -28.4713 -28.4713 -28.4448 -28.4448 -10.3901 -10.3901 -10.2095 -10.2095 -9.9667 -9.9667 -9.6526 -9.6526 -9.5542 -9.5542 -9.4917 -9.4917 -7.8466 -7.8466 -7.7748 -7.7748 -7.4044 -7.4044 -6.9776 -6.9776 0.2303 0.2303 4.5636 4.5636 5.7749 5.7749 5.8440 5.8440 6.2466 6.2466 6.6803 6.6803 7.6876 7.6876 7.7055 7.7055 8.2676 8.2676 8.8363 8.8363 9.3803 9.3803 9.6596 9.6596 14.9668 14.9668 15.8016 15.8016 16.7585 16.7585 17.2038 17.2038 17.3753 17.3753 k = 0.4833 0.2089 1.1502 ( 2708 PWs) bands (ev): -28.4714 -28.4714 -28.4449 -28.4449 -10.3919 -10.3919 -10.2134 -10.2134 -9.9647 -9.9647 -9.6524 -9.6524 -9.5545 -9.5545 -9.4904 -9.4904 -7.8480 -7.8480 -7.7761 -7.7761 -7.3985 -7.3985 -6.9750 -6.9750 0.2366 0.2366 4.5692 4.5692 5.7678 5.7678 5.8458 5.8458 6.2459 6.2459 6.6664 6.6664 7.6829 7.6829 7.7082 7.7082 8.2787 8.2787 8.8259 8.8259 9.3719 9.3719 9.6638 9.6638 14.9691 14.9691 15.8027 15.8027 16.7769 16.7769 17.1851 17.1851 17.3834 17.3834 k = 0.5000 0.2161 1.1424 ( 2712 PWs) bands (ev): -28.4714 -28.4714 -28.4451 -28.4451 -10.3940 -10.3940 -10.2172 -10.2172 -9.9627 -9.9627 -9.6518 -9.6518 -9.5549 -9.5549 -9.4894 -9.4894 -7.8498 -7.8498 -7.7773 -7.7773 -7.3918 -7.3918 -6.9725 -6.9725 0.2435 0.2435 4.5744 4.5744 5.7603 5.7603 5.8478 5.8478 6.2464 6.2464 6.6517 6.6517 7.6773 7.6773 7.7131 7.7131 8.2823 8.2823 8.8243 8.8243 9.3629 9.3629 9.6646 9.6646 14.9759 14.9759 15.7968 15.7968 16.7933 16.7933 17.1722 17.1722 17.3934 17.3934 k = 0.5000 0.2161 1.1424 ( 2712 PWs) bands (ev): -28.4714 -28.4714 -28.4451 -28.4451 -10.3940 -10.3940 -10.2172 -10.2172 -9.9627 -9.9627 -9.6518 -9.6518 -9.5549 -9.5549 -9.4894 -9.4894 -7.8498 -7.8498 -7.7773 -7.7773 -7.3918 -7.3918 -6.9725 -6.9725 0.2435 0.2435 4.5744 4.5744 5.7603 5.7603 5.8478 5.8478 6.2464 6.2464 6.6517 6.6517 7.6773 7.6773 7.7131 7.7131 8.2823 8.2823 8.8243 8.8243 9.3629 9.3629 9.6646 9.6646 14.9759 14.9759 15.7968 15.7968 16.7933 16.7933 17.1722 17.1722 17.3934 17.3934 k = 0.5000 0.2161 1.1224 ( 2708 PWs) bands (ev): -28.4716 -28.4716 -28.4455 -28.4455 -10.4007 -10.4007 -10.2260 -10.2260 -9.9581 -9.9581 -9.6499 -9.6499 -9.5559 -9.5559 -9.4869 -9.4869 -7.8556 -7.8556 -7.7799 -7.7799 -7.3726 -7.3726 -6.9656 -6.9656 0.2630 0.2630 4.5885 4.5885 5.7392 5.7392 5.8534 5.8534 6.2496 6.2496 6.6104 6.6104 7.6604 7.6604 7.7293 7.7293 8.2812 8.2812 8.8324 8.8324 9.3378 9.3378 9.6620 9.6620 15.0005 15.0005 15.7727 15.7727 16.8332 16.8332 17.1477 17.1477 17.4226 17.4226 k = 0.5000 0.2161 1.1023 ( 2712 PWs) bands (ev): -28.4719 -28.4719 -28.4460 -28.4460 -10.4102 -10.4102 -10.2331 -10.2331 -9.9538 -9.9538 -9.6478 -9.6478 -9.5568 -9.5568 -9.4844 -9.4844 -7.8634 -7.8634 -7.7813 -7.7813 -7.3513 -7.3513 -6.9579 -6.9579 0.2854 0.2854 4.6048 4.6048 5.7162 5.7162 5.8600 5.8600 6.2524 6.2524 6.5640 6.5640 7.6414 7.6414 7.7465 7.7465 8.2801 8.2801 8.8417 8.8417 9.3098 9.3098 9.6589 9.6589 15.0282 15.0282 15.7480 15.7480 16.8756 16.8756 17.1218 17.1218 17.4549 17.4550 k = 0.5000 0.2161 1.0823 ( 2712 PWs) bands (ev): -28.4721 -28.4721 -28.4466 -28.4466 -10.4226 -10.4226 -10.2377 -10.2377 -9.9500 -9.9500 -9.6458 -9.6458 -9.5574 -9.5574 -9.4818 -9.4818 -7.8730 -7.8730 -7.7813 -7.7813 -7.3280 -7.3280 -6.9494 -6.9494 0.3105 0.3105 4.6233 4.6233 5.6916 5.6916 5.8675 5.8675 6.2545 6.2545 6.5128 6.5128 7.6204 7.6204 7.7646 7.7646 8.2788 8.2788 8.8519 8.8519 9.2792 9.2792 9.6554 9.6554 15.0587 15.0587 15.7233 15.7233 16.9198 16.9198 17.0947 17.0947 17.4898 17.4900 k = 0.5000 0.2161 1.0622 ( 2712 PWs) bands (ev): -28.4724 -28.4724 -28.4472 -28.4472 -10.4380 -10.4380 -10.2398 -10.2398 -9.9467 -9.9467 -9.6437 -9.6437 -9.5577 -9.5577 -9.4792 -9.4792 -7.8844 -7.8844 -7.7800 -7.7800 -7.3030 -7.3030 -6.9402 -6.9402 0.3384 0.3384 4.6442 4.6442 5.6658 5.6658 5.8760 5.8760 6.2560 6.2560 6.4571 6.4571 7.5977 7.5977 7.7832 7.7832 8.2775 8.2775 8.8632 8.8632 9.2466 9.2466 9.6514 9.6514 15.0919 15.0919 15.6991 15.6991 16.9650 16.9650 17.0664 17.0664 17.5268 17.5269 k = 0.5000 0.2161 1.0422 ( 2712 PWs) bands (ev): -28.4728 -28.4728 -28.4479 -28.4479 -10.4560 -10.4560 -10.2393 -10.2393 -9.9439 -9.9439 -9.6417 -9.6417 -9.5577 -9.5577 -9.4767 -9.4767 -7.8973 -7.8973 -7.7776 -7.7776 -7.2764 -7.2764 -6.9305 -6.9305 0.3687 0.3687 4.6673 4.6673 5.6390 5.6390 5.8854 5.8854 6.2567 6.2567 6.3972 6.3972 7.5734 7.5734 7.8020 7.8020 8.2762 8.2762 8.8752 8.8752 9.2123 9.2123 9.6469 9.6469 15.1274 15.1274 15.6759 15.6759 17.0102 17.0102 17.0371 17.0371 17.5647 17.5728 k = 0.5000 0.2161 1.0221 ( 2712 PWs) bands (ev): -28.4731 -28.4731 -28.4486 -28.4486 -10.4764 -10.4764 -10.2365 -10.2365 -9.9416 -9.9416 -9.6397 -9.6397 -9.5574 -9.5574 -9.4742 -9.4742 -7.9113 -7.9113 -7.7743 -7.7743 -7.2485 -7.2485 -6.9203 -6.9203 0.4015 0.4015 4.6927 4.6927 5.6114 5.6114 5.8958 5.8958 6.2567 6.2567 6.3333 6.3333 7.5478 7.5478 7.8208 7.8208 8.2749 8.2749 8.8879 8.8879 9.1767 9.1767 9.6418 9.6418 15.1650 15.1650 15.6540 15.6540 17.0060 17.0060 17.0557 17.0557 17.6009 17.6060 k = 0.5000 0.2161 1.0021 ( 2712 PWs) bands (ev): -28.4735 -28.4735 -28.4494 -28.4494 -10.4987 -10.4987 -10.2318 -10.2318 -9.9398 -9.9398 -9.6378 -9.6378 -9.5570 -9.5570 -9.4717 -9.4717 -7.9264 -7.9264 -7.7701 -7.7701 -7.2193 -7.2193 -6.9098 -6.9098 0.4367 0.4367 4.7205 4.7205 5.5834 5.5834 5.9071 5.9071 6.2556 6.2556 6.2662 6.2662 7.5211 7.5211 7.8394 7.8394 8.2736 8.2736 8.9013 8.9013 9.1403 9.1403 9.6362 9.6362 15.2043 15.2043 15.6337 15.6337 16.9741 16.9741 17.0998 17.0998 17.6295 17.6304 k = 0.5000 0.2161 0.9821 ( 2712 PWs) bands (ev): -28.4739 -28.4739 -28.4503 -28.4503 -10.5223 -10.5223 -10.2254 -10.2254 -9.9383 -9.9383 -9.6360 -9.6360 -9.5563 -9.5563 -9.4693 -9.4693 -7.9423 -7.9423 -7.7652 -7.7652 -7.1892 -7.1892 -6.8991 -6.8991 0.4740 0.4740 4.7506 4.7506 5.5551 5.5551 5.9193 5.9193 6.1942 6.1942 6.2551 6.2551 7.4937 7.4937 7.8578 7.8578 8.2723 8.2723 8.9151 8.9151 9.1035 9.1035 9.6301 9.6301 15.2450 15.2450 15.6151 15.6151 16.9409 16.9409 17.1425 17.1425 17.6533 17.6534 k = 0.5000 0.2161 0.9620 ( 2716 PWs) bands (ev): -28.4744 -28.4744 -28.4512 -28.4512 -10.5470 -10.5470 -10.2177 -10.2177 -9.9371 -9.9371 -9.6342 -9.6342 -9.5555 -9.5555 -9.4670 -9.4670 -7.9589 -7.9589 -7.7596 -7.7596 -7.1582 -7.1582 -6.8882 -6.8882 0.5135 0.5135 4.7830 4.7830 5.5267 5.5267 5.9325 5.9325 6.1196 6.1196 6.2534 6.2534 7.4657 7.4657 7.8756 7.8756 8.2711 8.2711 8.9291 8.9291 9.0667 9.0667 9.6233 9.6233 15.2869 15.2869 15.5986 15.5986 16.9066 16.9066 17.1833 17.1833 17.6760 17.6761 k = 0.5000 0.2161 0.9420 ( 2718 PWs) bands (ev): -28.4748 -28.4748 -28.4522 -28.4522 -10.5725 -10.5725 -10.2088 -10.2088 -9.9360 -9.9360 -9.6324 -9.6324 -9.5546 -9.5546 -9.4648 -9.4648 -7.9761 -7.9761 -7.7535 -7.7535 -7.1266 -7.1266 -6.8775 -6.8775 0.5548 0.5548 4.8177 4.8177 5.4984 5.4984 5.9465 5.9465 6.0418 6.0418 6.2515 6.2515 7.4373 7.4373 7.8929 7.8929 8.2700 8.2700 8.9432 8.9432 9.0303 9.0303 9.6158 9.6158 15.3298 15.3298 15.5842 15.5842 16.8710 16.8710 17.2218 17.2218 17.6981 17.6989 k = 0.5000 0.2161 0.9219 ( 2720 PWs) bands (ev): -28.4753 -28.4753 -28.4532 -28.4532 -10.5985 -10.5985 -10.1989 -10.1989 -9.9351 -9.9351 -9.6305 -9.6305 -9.5537 -9.5537 -9.4626 -9.4626 -7.9938 -7.9938 -7.7468 -7.7468 -7.0944 -7.0944 -6.8669 -6.8669 0.5980 0.5980 4.8548 4.8548 5.4702 5.4702 5.9556 5.9556 5.9669 5.9669 6.2496 6.2496 7.4088 7.4088 7.9094 7.9094 8.2691 8.2691 8.9568 8.9568 8.9951 8.9951 9.6077 9.6077 15.3733 15.3733 15.5720 15.5720 16.8343 16.8343 17.2575 17.2575 17.6749 17.6788 k = 0.5000 0.2161 0.9019 ( 2720 PWs) bands (ev): -28.4759 -28.4759 -28.4542 -28.4542 -10.6248 -10.6248 -10.1882 -10.1882 -9.9341 -9.9341 -9.6287 -9.6287 -9.5527 -9.5527 -9.4604 -9.4604 -8.0118 -8.0118 -7.7396 -7.7396 -7.0620 -7.0620 -6.8566 -6.8566 0.6429 0.6429 4.8942 4.8942 5.4424 5.4424 5.8764 5.8764 5.9785 5.9785 6.2477 6.2477 7.3805 7.3805 7.9252 7.9252 8.2684 8.2684 8.9560 8.9560 8.9752 8.9752 9.5988 9.5988 15.4172 15.4172 15.5622 15.5622 16.7964 16.7964 17.2902 17.2902 17.6311 17.6312 k = 0.5000 0.2161 0.8819 ( 2720 PWs) bands (ev): -28.4764 -28.4764 -28.4553 -28.4553 -10.6512 -10.6512 -10.1768 -10.1768 -9.9329 -9.9329 -9.6267 -9.6267 -9.5519 -9.5519 -9.4582 -9.4582 -8.0301 -8.0301 -7.7318 -7.7318 -7.0294 -7.0294 -6.8468 -6.8468 0.6894 0.6894 4.9359 4.9359 5.4151 5.4151 5.7902 5.7902 5.9954 5.9954 6.2461 6.2461 7.3525 7.3525 7.9400 7.9400 8.2679 8.2679 8.9245 8.9245 8.9870 8.9870 9.5892 9.5892 15.4612 15.4612 15.5548 15.5548 16.7575 16.7575 17.3197 17.3197 17.5869 17.5884 k = 0.5000 0.2161 0.8618 ( 2716 PWs) bands (ev): -28.4770 -28.4770 -28.4565 -28.4565 -10.6777 -10.6777 -10.1648 -10.1648 -9.9315 -9.9315 -9.6247 -9.6247 -9.5511 -9.5511 -9.4561 -9.4561 -8.0487 -8.0487 -7.7237 -7.7237 -6.9968 -6.9968 -6.8374 -6.8374 0.7373 0.7373 4.9799 4.9799 5.3882 5.3882 5.7014 5.7014 6.0135 6.0135 6.2451 6.2451 7.3250 7.3250 7.9538 7.9538 8.2677 8.2677 8.8927 8.8927 9.0001 9.0001 9.5788 9.5788 15.5050 15.5050 15.5498 15.5498 16.7174 16.7174 17.3457 17.3457 17.5396 17.5399 k = 0.5000 0.2161 0.8418 ( 2722 PWs) bands (ev): -28.4776 -28.4776 -28.4576 -28.4576 -10.7041 -10.7041 -10.1525 -10.1525 -9.9298 -9.9298 -9.6226 -9.6226 -9.5504 -9.5504 -9.4540 -9.4540 -8.0674 -8.0674 -7.7150 -7.7150 -6.9643 -6.9643 -6.8288 -6.8288 0.7865 0.7865 5.0261 5.0261 5.3620 5.3620 5.6104 5.6104 6.0325 6.0325 6.2448 6.2448 7.2982 7.2982 7.9666 7.9666 8.2679 8.2679 8.8626 8.8626 9.0129 9.0129 9.5676 9.5676 15.5470 15.5470 15.5485 15.5485 16.6764 16.6764 17.3679 17.3679 17.4559 17.4560 k = 0.5000 0.2161 0.8217 ( 2720 PWs) bands (ev): -28.4782 -28.4782 -28.4589 -28.4589 -10.7303 -10.7303 -10.1397 -10.1397 -9.9276 -9.9276 -9.6204 -9.6204 -9.5498 -9.5498 -9.4519 -9.4519 -8.0861 -8.0861 -7.7060 -7.7060 -6.9322 -6.9322 -6.8209 -6.8209 0.8369 0.8369 5.0744 5.0744 5.3364 5.3364 5.5174 5.5174 6.0526 6.0526 6.2456 6.2456 7.2723 7.2723 7.9781 7.9781 8.2685 8.2685 8.8344 8.8344 9.0250 9.0250 9.5554 9.5554 15.5471 15.5471 15.5904 15.5904 16.6346 16.6346 17.3704 17.3704 17.3878 17.3881 k = 0.5000 0.2161 0.8017 ( 2718 PWs) bands (ev): -28.4788 -28.4788 -28.4601 -28.4601 -10.7562 -10.7562 -10.1268 -10.1268 -9.9249 -9.9249 -9.6181 -9.6181 -9.5494 -9.5494 -9.4497 -9.4497 -8.1049 -8.1049 -7.6965 -7.6965 -6.9005 -6.9005 -6.8139 -6.8139 0.8884 0.8884 5.1249 5.1249 5.3116 5.3116 5.4226 5.4226 6.0737 6.0737 6.2476 6.2476 7.2475 7.2475 7.9884 7.9884 8.2695 8.2695 8.8084 8.8084 9.0362 9.0362 9.5423 9.5423 15.5494 15.5494 15.6314 15.6314 16.5919 16.5919 17.2873 17.2873 17.3993 17.4011 k = 0.5000 0.2161 0.7816 ( 2722 PWs) bands (ev): -28.4794 -28.4794 -28.4614 -28.4614 -10.7818 -10.7818 -10.1137 -10.1137 -9.9216 -9.9216 -9.6157 -9.6157 -9.5490 -9.5490 -9.4476 -9.4476 -8.1237 -8.1237 -7.6866 -7.6866 -6.8694 -6.8694 -6.8078 -6.8078 0.9409 0.9409 5.1772 5.1772 5.2875 5.2875 5.3263 5.3263 6.0958 6.0958 6.2510 6.2510 7.2238 7.2238 7.9973 7.9973 8.2711 8.2711 8.7848 8.7848 9.0465 9.0465 9.5282 9.5282 15.5540 15.5540 15.6704 15.6704 16.5485 16.5485 17.2042 17.2042 17.3633 17.3640 k = 0.5000 0.2161 0.7616 ( 2726 PWs) bands (ev): -28.4801 -28.4801 -28.4627 -28.4627 -10.8070 -10.8070 -10.1006 -10.1006 -9.9176 -9.9176 -9.6132 -9.6132 -9.5488 -9.5488 -9.4454 -9.4454 -8.1424 -8.1424 -7.6764 -7.6764 -6.8390 -6.8390 -6.8028 -6.8028 0.9942 0.9942 5.2243 5.2243 5.2359 5.2359 5.2643 5.2643 6.1189 6.1189 6.2560 6.2560 7.2015 7.2015 8.0048 8.0048 8.2733 8.2733 8.7637 8.7637 9.0558 9.0558 9.5131 9.5131 15.5610 15.5610 15.7068 15.7068 16.5045 16.5045 17.1229 17.1229 17.3197 17.3199 k = 0.5000 0.2161 0.7416 ( 2722 PWs) bands (ev): -28.4808 -28.4808 -28.4640 -28.4640 -10.8317 -10.8317 -10.0875 -10.0875 -9.9127 -9.9127 -9.6105 -9.6105 -9.5485 -9.5485 -9.4431 -9.4431 -8.1610 -8.1610 -7.6658 -7.6658 -6.8097 -6.8097 -6.7987 -6.7987 1.0483 1.0483 5.1296 5.1296 5.2416 5.2416 5.2883 5.2883 6.1430 6.1430 6.2630 6.2630 7.1806 7.1806 8.0108 8.0108 8.2761 8.2761 8.7452 8.7452 9.0638 9.0638 9.4970 9.4970 15.5702 15.5702 15.7398 15.7398 16.4600 16.4600 17.0444 17.0444 17.2765 17.2765 k = 0.5000 0.2161 0.7215 ( 2718 PWs) bands (ev): -28.4814 -28.4814 -28.4654 -28.4654 -10.8559 -10.8559 -10.0747 -10.0747 -9.9069 -9.9069 -9.6077 -9.6077 -9.5484 -9.5484 -9.4408 -9.4408 -8.1794 -8.1794 -7.6548 -7.6548 -6.7968 -6.7968 -6.7803 -6.7803 1.1031 1.1031 5.0301 5.0301 5.2199 5.2199 5.3459 5.3459 6.1681 6.1681 6.2720 6.2720 7.1613 7.1613 8.0153 8.0153 8.2798 8.2798 8.7295 8.7295 9.0706 9.0706 9.4797 9.4797 15.5815 15.5815 15.7682 15.7682 16.4152 16.4152 16.9698 16.9698 17.2339 17.2339 k = 0.5000 0.2161 0.7015 ( 2714 PWs) bands (ev): -28.4821 -28.4821 -28.4668 -28.4668 -10.8796 -10.8796 -10.0621 -10.0621 -9.9002 -9.9002 -9.6048 -9.6048 -9.5483 -9.5483 -9.4384 -9.4384 -8.1977 -8.1977 -7.6435 -7.6435 -6.7954 -6.7954 -6.7528 -6.7528 1.1585 1.1585 4.9301 4.9301 5.1991 5.1991 5.4051 5.4051 6.1943 6.1943 6.2832 6.2832 7.1437 7.1437 8.0183 8.0183 8.2843 8.2843 8.7164 8.7164 9.0760 9.0760 9.4612 9.4612 15.5947 15.5947 15.7908 15.7908 16.3701 16.3701 16.9007 16.9007 17.1921 17.1922 k = 0.5000 0.2161 0.6814 ( 2714 PWs) bands (ev): -28.4828 -28.4828 -28.4681 -28.4681 -10.9028 -10.9028 -10.0499 -10.0499 -9.8926 -9.8926 -9.6017 -9.6017 -9.5482 -9.5482 -9.4359 -9.4359 -8.2157 -8.2157 -7.6319 -7.6319 -6.7953 -6.7953 -6.7263 -6.7263 1.2144 1.2144 4.8297 4.8297 5.1791 5.1791 5.4654 5.4654 6.2215 6.2215 6.2969 6.2969 7.1278 7.1278 8.0199 8.0199 8.2897 8.2897 8.7061 8.7061 9.0799 9.0799 9.4416 9.4416 15.6099 15.6099 15.8060 15.8060 16.3250 16.3250 16.8387 16.8387 17.1514 17.1514 k = 0.5000 0.2161 0.6614 ( 2710 PWs) bands (ev): -28.4836 -28.4836 -28.4695 -28.4695 -10.9253 -10.9253 -10.0381 -10.0381 -9.8840 -9.8840 -9.5985 -9.5985 -9.5481 -9.5481 -9.4332 -9.4332 -8.2335 -8.2335 -7.6201 -7.6201 -6.7967 -6.7967 -6.7009 -6.7009 1.2707 1.2707 4.7292 4.7292 5.1599 5.1599 5.5267 5.5267 6.2496 6.2496 6.3131 6.3131 7.1138 7.1138 8.0200 8.0200 8.2963 8.2963 8.6985 8.6985 9.0824 9.0824 9.4208 9.4208 15.6267 15.6267 15.8119 15.8119 16.2800 16.2800 16.7857 16.7857 17.1118 17.1118 k = 0.5000 0.2161 0.6413 ( 2714 PWs) bands (ev): -28.4843 -28.4843 -28.4710 -28.4710 -10.9472 -10.9472 -10.0268 -10.0268 -9.8744 -9.8744 -9.5951 -9.5951 -9.5479 -9.5479 -9.4305 -9.4305 -8.2510 -8.2510 -7.6079 -7.6079 -6.7995 -6.7995 -6.6768 -6.6768 1.3274 1.3274 4.6288 4.6288 5.1415 5.1415 5.5886 5.5886 6.2788 6.2788 6.3320 6.3320 7.1018 7.1018 8.0188 8.0188 8.3039 8.3039 8.6935 8.6935 9.0834 9.0834 9.3986 9.3986 15.6451 15.6451 15.8069 15.8069 16.2352 16.2352 16.7435 16.7435 17.0735 17.0735 k = 0.5000 0.2161 0.6213 ( 2710 PWs) bands (ev): -28.4850 -28.4850 -28.4724 -28.4724 -10.9685 -10.9685 -10.0160 -10.0160 -9.8639 -9.8639 -9.5914 -9.5914 -9.5478 -9.5478 -9.4277 -9.4277 -8.2682 -8.2682 -7.5956 -7.5956 -6.8037 -6.8037 -6.6539 -6.6539 1.3843 1.3843 4.5288 4.5288 5.1239 5.1239 5.6507 5.6507 6.3090 6.3090 6.3536 6.3536 7.0919 7.0919 8.0163 8.0163 8.3128 8.3128 8.6909 8.6909 9.0827 9.0827 9.3752 9.3752 15.6649 15.6649 15.7899 15.7899 16.1908 16.1908 16.7133 16.7133 17.0367 17.0367 k = 0.5000 0.2161 0.6013 ( 2718 PWs) bands (ev): -28.4857 -28.4857 -28.4738 -28.4738 -10.9892 -10.9892 -10.0056 -10.0056 -9.8527 -9.8527 -9.5877 -9.5877 -9.5475 -9.5475 -9.4247 -9.4247 -8.2852 -8.2852 -7.5830 -7.5830 -6.8093 -6.8093 -6.6324 -6.6324 1.4414 1.4414 4.4295 4.4295 5.1070 5.1070 5.7128 5.7128 6.3402 6.3402 6.3781 6.3781 7.0844 7.0844 8.0127 8.0127 8.3231 8.3231 8.6906 8.6906 9.0804 9.0804 9.3505 9.3505 15.6859 15.6859 15.7605 15.7605 16.1470 16.1470 16.6957 16.6957 17.0014 17.0014 k = 0.5000 0.2161 0.5812 ( 2718 PWs) bands (ev): -28.4865 -28.4865 -28.4752 -28.4752 -11.0092 -11.0092 -9.9956 -9.9956 -9.8407 -9.8407 -9.5836 -9.5836 -9.5472 -9.5472 -9.4216 -9.4216 -8.3018 -8.3018 -7.5702 -7.5702 -6.8163 -6.8163 -6.6123 -6.6123 1.4986 1.4986 4.3309 4.3309 5.0910 5.0910 5.7742 5.7742 6.3724 6.3724 6.4056 6.4056 7.0793 7.0793 8.0082 8.0082 8.3348 8.3348 8.6926 8.6926 9.0765 9.0765 9.3244 9.3244 15.7078 15.7078 15.7195 15.7195 16.1039 16.1039 16.6900 16.6900 16.9678 16.9679 k = 0.5000 0.2161 0.5612 ( 2714 PWs) bands (ev): -28.4872 -28.4872 -28.4766 -28.4766 -11.0285 -11.0285 -9.9860 -9.9860 -9.8280 -9.8280 -9.5794 -9.5794 -9.5467 -9.5467 -9.4183 -9.4183 -8.3181 -8.3181 -7.5573 -7.5573 -6.8246 -6.8246 -6.5934 -6.5934 1.5558 1.5558 4.2334 4.2334 5.0756 5.0756 5.8345 5.8345 6.4056 6.4056 6.4360 6.4360 7.0770 7.0770 8.0028 8.0028 8.3480 8.3480 8.6964 8.6964 9.0709 9.0709 9.2970 9.2970 15.6683 15.6683 15.7308 15.7308 16.0617 16.0617 16.6948 16.6948 16.9362 16.9362 k = 0.5000 0.2161 0.5411 ( 2714 PWs) bands (ev): -28.4879 -28.4879 -28.4780 -28.4780 -11.0472 -11.0472 -9.9768 -9.9768 -9.8150 -9.8150 -9.5749 -9.5749 -9.5460 -9.5460 -9.4149 -9.4149 -8.3341 -8.3341 -7.5442 -7.5442 -6.8344 -6.8344 -6.5760 -6.5760 1.6129 1.6129 4.1372 4.1372 5.0610 5.0610 5.8931 5.8931 6.4397 6.4397 6.4695 6.4695 7.0778 7.0778 7.9968 7.9968 8.3628 8.3628 8.7021 8.7021 9.0636 9.0636 9.2682 9.2682 15.6092 15.6092 15.7542 15.7542 16.0205 16.0205 16.7081 16.7081 16.9065 16.9065 k = 0.5000 0.2161 0.5211 ( 2710 PWs) bands (ev): -28.4886 -28.4886 -28.4794 -28.4794 -11.0651 -11.0651 -9.9679 -9.9679 -9.8015 -9.8015 -9.5703 -9.5703 -9.5451 -9.5451 -9.4112 -9.4112 -8.3498 -8.3498 -7.5311 -7.5311 -6.8454 -6.8454 -6.5599 -6.5599 1.6699 1.6699 4.0425 4.0425 5.0471 5.0471 5.9493 5.9493 6.4747 6.4747 6.5058 6.5058 7.0818 7.0818 7.9903 7.9903 8.3792 8.3792 8.7093 8.7093 9.0546 9.0546 9.2381 9.2381 15.5439 15.5439 15.7780 15.7780 15.9805 15.9805 16.7282 16.7282 16.8789 16.8789 k = 0.5000 0.2161 0.5011 ( 2714 PWs) bands (ev): -28.4893 -28.4893 -28.4807 -28.4807 -11.0824 -11.0824 -9.9592 -9.9592 -9.7878 -9.7878 -9.5656 -9.5656 -9.5438 -9.5438 -9.4075 -9.4075 -8.3651 -8.3651 -7.5179 -7.5179 -6.8576 -6.8576 -6.5452 -6.5452 1.7266 1.7266 3.9494 3.9494 5.0338 5.0338 6.0025 6.0025 6.5107 6.5107 6.5451 6.5451 7.0896 7.0896 7.9833 7.9833 8.3973 8.3973 8.7179 8.7179 9.0439 9.0439 9.2067 9.2067 15.4742 15.4742 15.8020 15.8020 15.9418 15.9418 16.7534 16.7534 16.8535 16.8535 k = 0.5000 0.2161 0.4810 ( 2720 PWs) bands (ev): -28.4900 -28.4900 -28.4821 -28.4821 -11.0990 -11.0990 -9.9509 -9.9509 -9.7741 -9.7741 -9.5609 -9.5609 -9.5421 -9.5421 -9.4036 -9.4036 -8.3801 -8.3801 -7.5046 -7.5046 -6.8710 -6.8710 -6.5318 -6.5318 1.7830 1.7830 3.8582 3.8582 5.0212 5.0212 6.0520 6.0520 6.5475 6.5475 6.5873 6.5873 7.1015 7.1015 7.9761 7.9761 8.4171 8.4171 8.7277 8.7277 9.0315 9.0315 9.1740 9.1740 15.4015 15.4015 15.8260 15.8260 15.9045 15.9045 16.7823 16.7823 16.8303 16.8303 k = 0.5000 0.2161 0.4610 ( 2722 PWs) bands (ev): -28.4907 -28.4907 -28.4834 -28.4834 -11.1150 -11.1150 -9.9428 -9.9428 -9.7602 -9.7602 -9.5565 -9.5565 -9.5396 -9.5396 -9.3995 -9.3995 -8.3948 -8.3948 -7.4914 -7.4914 -6.8855 -6.8855 -6.5197 -6.5197 1.8389 1.8389 3.7691 3.7691 5.0093 5.0093 6.0971 6.0971 6.5852 6.5852 6.6322 6.6322 7.1177 7.1177 7.9687 7.9687 8.4386 8.4386 8.7386 8.7386 9.0174 9.0174 9.1400 9.1400 15.3271 15.3271 15.8497 15.8497 15.8687 15.8687 16.8089 16.8089 16.8144 16.8144 k = 0.5000 0.2161 0.4409 ( 2724 PWs) bands (ev): -28.4914 -28.4914 -28.4847 -28.4847 -11.1302 -11.1302 -9.9350 -9.9350 -9.7464 -9.7464 -9.5525 -9.5525 -9.5361 -9.5361 -9.3952 -9.3952 -8.4092 -8.4092 -7.4782 -7.4782 -6.9009 -6.9009 -6.5088 -6.5088 1.8943 1.8943 3.6823 3.6823 4.9979 4.9979 6.1373 6.1373 6.6237 6.6237 6.6799 6.6799 7.1386 7.1386 7.9613 7.9613 8.4618 8.4618 8.7504 8.7504 9.0015 9.0015 9.1048 9.1048 15.2519 15.2519 15.8344 15.8344 15.8729 15.8729 16.7907 16.7907 16.8474 16.8474 k = 0.5000 0.2161 0.4209 ( 2728 PWs) bands (ev): -28.4921 -28.4921 -28.4859 -28.4859 -11.1448 -11.1448 -9.9274 -9.9274 -9.7328 -9.7328 -9.5493 -9.5493 -9.5316 -9.5316 -9.3908 -9.3908 -8.4232 -8.4232 -7.4652 -7.4652 -6.9173 -6.9173 -6.4991 -6.4991 1.9489 1.9489 3.5979 3.5979 4.9872 4.9872 6.1722 6.1722 6.6630 6.6630 6.7301 6.7301 7.1642 7.1642 7.9539 7.9539 8.4865 8.4865 8.7629 8.7629 8.9839 8.9839 9.0684 9.0684 15.1766 15.1766 15.8018 15.8018 15.8955 15.8955 16.7745 16.7745 16.8818 16.8818 k = 0.5000 0.2161 0.4008 ( 2736 PWs) bands (ev): -28.4927 -28.4927 -28.4872 -28.4872 -11.1586 -11.1586 -9.9201 -9.9201 -9.7194 -9.7194 -9.5465 -9.5465 -9.5261 -9.5261 -9.3861 -9.3861 -8.4369 -8.4369 -7.4522 -7.4522 -6.9344 -6.9344 -6.4906 -6.4906 2.0027 2.0027 3.5161 3.5161 4.9771 4.9771 6.2014 6.2014 6.7030 6.7030 6.7827 6.7827 7.1945 7.1945 7.9465 7.9465 8.5127 8.5127 8.7760 8.7760 8.9645 8.9645 9.0310 9.0310 15.1019 15.1019 15.7708 15.7708 15.9172 15.9172 16.7608 16.7608 16.9170 16.9170 k = 0.5000 0.2161 0.3808 ( 2738 PWs) bands (ev): -28.4934 -28.4934 -28.4884 -28.4884 -11.1718 -11.1718 -9.9132 -9.9132 -9.7063 -9.7063 -9.5441 -9.5441 -9.5199 -9.5199 -9.3813 -9.3813 -8.4502 -8.4502 -7.4395 -7.4395 -6.9521 -6.9521 -6.4831 -6.4831 2.0556 2.0556 3.4371 3.4371 4.9676 4.9676 6.2251 6.2251 6.7435 6.7435 6.8376 6.8376 7.2292 7.2292 7.9394 7.9394 8.5402 8.5402 8.7895 8.7895 8.9432 8.9432 8.9927 8.9927 15.0283 15.0283 15.7415 15.7415 15.9378 15.9378 16.7496 16.7496 16.9523 16.9523 k = 0.5000 0.2161 0.3608 ( 2738 PWs) bands (ev): -28.4940 -28.4940 -28.4895 -28.4895 -11.1843 -11.1843 -9.9065 -9.9065 -9.6935 -9.6935 -9.5418 -9.5418 -9.5133 -9.5133 -9.3764 -9.3764 -8.4631 -8.4631 -7.4270 -7.4270 -6.9703 -6.9703 -6.4766 -6.4766 2.1074 2.1074 3.3611 3.3611 4.9587 4.9587 6.2434 6.2434 6.7847 6.7847 6.8946 6.8946 7.2678 7.2678 7.9324 7.9324 8.5689 8.5689 8.8033 8.8033 8.9200 8.9200 8.9537 8.9537 14.9563 14.9563 15.7139 15.7139 15.9572 15.9572 16.7407 16.7408 16.9874 16.9874 k = 0.5000 0.2161 0.3407 ( 2746 PWs) bands (ev): -28.4946 -28.4946 -28.4906 -28.4906 -11.1961 -11.1961 -9.9001 -9.9001 -9.6811 -9.6811 -9.5395 -9.5395 -9.5064 -9.5064 -9.3713 -9.3713 -8.4757 -8.4757 -7.4148 -7.4148 -6.9888 -6.9888 -6.4710 -6.4710 2.1579 2.1579 3.2882 3.2882 4.9503 4.9503 6.2567 6.2567 6.8263 6.8263 6.9534 6.9534 7.3097 7.3097 7.9256 7.9256 8.5986 8.5986 8.8172 8.8172 8.8941 8.8941 8.9149 8.9149 14.8863 14.8863 15.6881 15.6881 15.9750 15.9750 16.7342 16.7342 17.0194 17.0210 k = 0.5000 0.2161 0.3207 ( 2730 PWs) bands (ev): -28.4951 -28.4951 -28.4917 -28.4917 -11.2073 -11.2073 -9.8941 -9.8941 -9.6691 -9.6691 -9.5370 -9.5370 -9.4993 -9.4993 -9.3660 -9.3660 -8.4878 -8.4878 -7.4029 -7.4029 -7.0076 -7.0076 -6.4663 -6.4663 2.2070 2.2070 3.2186 3.2186 4.9424 4.9424 6.2655 6.2655 6.8682 6.8682 7.0140 7.0140 7.3542 7.3542 7.9192 7.9192 8.6291 8.6291 8.8307 8.8307 8.8635 8.8635 8.8791 8.8791 14.8186 14.8186 15.6639 15.6639 15.9913 15.9913 16.7302 16.7302 16.9897 16.9897 k = 0.5000 0.2161 0.3006 ( 2734 PWs) bands (ev): -28.4956 -28.4956 -28.4927 -28.4927 -11.2177 -11.2177 -9.8884 -9.8884 -9.6576 -9.6576 -9.5346 -9.5346 -9.4922 -9.4922 -9.3606 -9.3606 -8.4994 -8.4994 -7.3914 -7.3914 -7.0263 -7.0263 -6.4623 -6.4623 2.2544 2.2544 3.1524 3.1524 4.9351 4.9351 6.2703 6.2703 6.9104 6.9104 7.0759 7.0759 7.4004 7.4004 7.9130 7.9130 8.6600 8.6600 8.8246 8.8246 8.8400 8.8400 8.8533 8.8533 14.7534 14.7534 15.6413 15.6413 16.0058 16.0058 16.7283 16.7283 16.9611 16.9611 k = 0.5000 0.2161 0.2806 ( 2734 PWs) bands (ev): -28.4962 -28.4962 -28.4936 -28.4936 -11.2275 -11.2275 -9.8831 -9.8831 -9.6468 -9.6468 -9.5320 -9.5320 -9.4852 -9.4852 -9.3551 -9.3551 -8.5106 -8.5106 -7.3804 -7.3804 -7.0450 -7.0450 -6.4590 -6.4590 2.3001 2.3001 3.0898 3.0898 4.9284 4.9284 6.2719 6.2719 6.9527 6.9527 7.1390 7.1390 7.4475 7.4475 7.9072 7.9072 8.6911 8.6911 8.7844 8.7844 8.8145 8.8145 8.8614 8.8614 14.6910 14.6910 15.6204 15.6204 16.0183 16.0183 16.7286 16.7286 16.9337 16.9337 k = 0.5000 0.2161 0.2605 ( 2734 PWs) bands (ev): -28.4966 -28.4966 -28.4945 -28.4945 -11.2366 -11.2366 -9.8782 -9.8782 -9.6365 -9.6365 -9.5293 -9.5293 -9.4783 -9.4783 -9.3495 -9.3495 -8.5213 -8.5213 -7.3699 -7.3699 -7.0634 -7.0634 -6.4564 -6.4564 2.3438 2.3438 3.0309 3.0309 4.9221 4.9221 6.2706 6.2706 6.9949 6.9949 7.2030 7.2030 7.4948 7.4948 7.9017 7.9017 8.7218 8.7218 8.7429 8.7429 8.7835 8.7835 8.8746 8.8746 14.6319 14.6319 15.6010 15.6010 16.0288 16.0288 16.7310 16.7310 16.9072 16.9072 k = 0.5000 0.2161 0.2405 ( 2740 PWs) bands (ev): -28.4971 -28.4971 -28.4954 -28.4954 -11.2450 -11.2450 -9.8737 -9.8737 -9.6269 -9.6269 -9.5266 -9.5266 -9.4717 -9.4717 -9.3440 -9.3440 -8.5315 -8.5315 -7.3599 -7.3599 -7.0813 -7.0813 -6.4543 -6.4543 2.3854 2.3854 2.9758 2.9758 4.9163 4.9163 6.2672 6.2672 7.0368 7.0368 7.2675 7.2675 7.5416 7.5416 7.8966 7.8966 8.7011 8.7011 8.7455 8.7455 8.7573 8.7573 8.8877 8.8877 14.5760 14.5760 15.5830 15.5830 16.0372 16.0372 16.7353 16.7353 16.8813 16.8813 k = 0.5000 0.2161 0.2205 ( 2736 PWs) bands (ev): -28.4975 -28.4975 -28.4962 -28.4962 -11.2528 -11.2528 -9.8695 -9.8695 -9.6180 -9.6180 -9.5238 -9.5238 -9.4653 -9.4653 -9.3384 -9.3384 -8.5410 -8.5410 -7.3504 -7.3504 -7.0986 -7.0986 -6.4527 -6.4527 2.4245 2.4245 2.9246 2.9246 4.9111 4.9111 6.2622 6.2622 7.0782 7.0782 7.3323 7.3323 7.5871 7.5871 7.8919 7.8919 8.6595 8.6595 8.7149 8.7149 8.7831 8.7831 8.9004 8.9004 14.5238 14.5238 15.5666 15.5666 16.0436 16.0436 16.7413 16.7413 16.8558 16.8558 k = 0.5000 0.2161 0.2004 ( 2738 PWs) bands (ev): -28.4979 -28.4979 -28.4969 -28.4969 -11.2599 -11.2599 -9.8658 -9.8658 -9.6099 -9.6099 -9.5211 -9.5211 -9.4593 -9.4593 -9.3330 -9.3330 -8.5500 -8.5500 -7.3416 -7.3416 -7.1151 -7.1151 -6.4514 -6.4514 2.4611 2.4611 2.8775 2.8775 4.9063 4.9063 6.2560 6.2560 7.1187 7.1187 7.3969 7.3969 7.6307 7.6307 7.8876 7.8876 8.6186 8.6186 8.6792 8.6792 8.8114 8.8114 8.9127 8.9127 14.4754 14.4754 15.5514 15.5514 16.0479 16.0479 16.7488 16.7488 16.8304 16.8304 k = 0.5000 0.2161 0.1804 ( 2742 PWs) bands (ev): -28.4983 -28.4983 -28.4976 -28.4976 -11.2663 -11.2663 -9.8624 -9.8624 -9.6025 -9.6025 -9.5184 -9.5184 -9.4536 -9.4536 -9.3277 -9.3277 -8.5583 -8.5583 -7.3335 -7.3335 -7.1306 -7.1306 -6.4506 -6.4506 2.4950 2.4950 2.8346 2.8346 4.9020 4.9020 6.2490 6.2490 7.1581 7.1581 7.4610 7.4610 7.6718 7.6718 7.8837 7.8837 8.5787 8.5787 8.6421 8.6421 8.8384 8.8384 8.9242 8.9242 14.4310 14.4310 15.5377 15.5377 16.0502 16.0502 16.7576 16.7576 16.8049 16.8049 k = 0.5000 0.2161 0.1603 ( 2738 PWs) bands (ev): -28.4986 -28.4986 -28.4982 -28.4982 -11.2720 -11.2720 -9.8593 -9.8593 -9.5958 -9.5958 -9.5158 -9.5158 -9.4484 -9.4484 -9.3226 -9.3226 -8.5659 -8.5659 -7.3262 -7.3262 -7.1450 -7.1450 -6.4499 -6.4499 2.5258 2.5258 2.7959 2.7959 4.8982 4.8982 6.2417 6.2417 7.1959 7.1959 7.5241 7.5241 7.7100 7.7100 7.8802 7.8802 8.5402 8.5402 8.6040 8.6040 8.8634 8.8634 8.9351 8.9351 14.3908 14.3908 15.5253 15.5253 16.0509 16.0509 16.7672 16.7672 16.7795 16.7795 k = 0.5000 0.2161 0.1403 ( 2740 PWs) bands (ev): -28.4989 -28.4989 -28.4987 -28.4987 -11.2771 -11.2771 -9.8567 -9.8567 -9.5900 -9.5900 -9.5134 -9.5134 -9.4437 -9.4437 -9.3180 -9.3180 -8.5726 -8.5726 -7.3195 -7.3195 -7.1582 -7.1582 -6.4495 -6.4495 2.5536 2.5536 2.7616 2.7616 4.8949 4.8949 6.2344 6.2344 7.2317 7.2317 7.5856 7.5856 7.7448 7.7448 7.8771 7.8771 8.5037 8.5037 8.5653 8.5653 8.8860 8.8860 8.9453 8.9453 14.3549 14.3549 15.5143 15.5143 16.0502 16.0502 16.7540 16.7540 16.7776 16.7776 k = 0.5000 0.2161 0.1203 ( 2734 PWs) bands (ev): -28.4992 -28.4992 -28.4991 -28.4991 -11.2815 -11.2815 -9.8544 -9.8544 -9.5849 -9.5849 -9.5111 -9.5111 -9.4395 -9.4395 -9.3137 -9.3137 -8.5786 -8.5786 -7.3137 -7.3137 -7.1699 -7.1699 -6.4493 -6.4493 2.5780 2.5780 2.7317 2.7317 4.8920 4.8920 6.2274 6.2274 7.2648 7.2648 7.6447 7.6447 7.7757 7.7757 7.8746 7.8746 8.4697 8.4697 8.5264 8.5264 8.9060 8.9060 8.9548 8.9548 14.3235 14.3235 15.5046 15.5046 16.0484 16.0484 16.7296 16.7296 16.7880 16.7880 k = 0.5000 0.2161 0.1002 ( 2734 PWs) bands (ev): -28.4996 -28.4996 -28.4993 -28.4993 -11.2852 -11.2852 -9.8525 -9.8525 -9.5806 -9.5806 -9.5091 -9.5091 -9.4359 -9.4359 -9.3099 -9.3099 -8.5838 -8.5838 -7.3088 -7.3088 -7.1800 -7.1800 -6.4491 -6.4491 2.5990 2.5990 2.7063 2.7063 4.8896 4.8896 6.2210 6.2210 7.2947 7.2947 7.7005 7.7005 7.8024 7.8024 7.8726 7.8726 8.4388 8.4388 8.4884 8.4884 8.9227 8.9227 8.9635 8.9635 14.2967 14.2967 15.4963 15.4963 16.0458 16.0458 16.7067 16.7067 16.7980 16.7980 k = 0.5000 0.2161 0.0802 ( 2726 PWs) bands (ev): -28.4999 -28.4999 -28.4995 -28.4995 -11.2882 -11.2882 -9.8509 -9.8509 -9.5772 -9.5772 -9.5074 -9.5074 -9.4328 -9.4328 -9.3067 -9.3067 -8.5880 -8.5880 -7.3046 -7.3046 -7.1885 -7.1885 -6.4491 -6.4491 2.6162 2.6162 2.6855 2.6855 4.8876 4.8876 6.2155 6.2155 7.3206 7.3206 7.7515 7.7515 7.8244 7.8244 7.8712 7.8712 8.4115 8.4115 8.4526 8.4526 8.9361 8.9361 8.9715 8.9715 14.2747 14.2747 15.4895 15.4895 16.0431 16.0431 16.6865 16.6865 16.8072 16.8072 k = 0.5000 0.2161 0.0601 ( 2716 PWs) bands (ev): -28.5001 -28.5001 -28.4996 -28.4996 -11.2905 -11.2905 -9.8497 -9.8497 -9.5744 -9.5744 -9.5060 -9.5060 -9.4304 -9.4304 -9.3041 -9.3041 -8.5914 -8.5914 -7.3014 -7.3014 -7.1952 -7.1952 -6.4491 -6.4491 2.6297 2.6297 2.6695 2.6695 4.8861 4.8861 6.2110 6.2110 7.3418 7.3418 7.7958 7.7958 7.8414 7.8414 7.8707 7.8707 8.3883 8.3883 8.4210 8.4210 8.9460 8.9460 8.9785 8.9785 14.2575 14.2575 15.4841 15.4841 16.0404 16.0404 16.6698 16.6698 16.8149 16.8149 k = 0.5000 0.2161 0.0401 ( 2712 PWs) bands (ev): -28.5003 -28.5003 -28.4997 -28.4997 -11.2922 -11.2922 -9.8488 -9.8488 -9.5725 -9.5725 -9.5050 -9.5050 -9.4287 -9.4287 -9.3022 -9.3022 -8.5938 -8.5938 -7.2991 -7.2991 -7.2000 -7.2000 -6.4491 -6.4491 2.6389 2.6389 2.6584 2.6584 4.8850 4.8850 6.2077 6.2077 7.3576 7.3576 7.8305 7.8305 7.8532 7.8532 7.8714 7.8714 8.3695 8.3695 8.3965 8.3965 8.9527 8.9527 8.9841 8.9841 14.2451 14.2451 15.4802 15.4802 16.0382 16.0382 16.6574 16.6574 16.8207 16.8207 k = 0.5000 0.2161 0.0200 ( 2712 PWs) bands (ev): -28.5004 -28.5004 -28.4998 -28.4998 -11.2932 -11.2932 -9.8483 -9.8483 -9.5713 -9.5713 -9.5044 -9.5044 -9.4277 -9.4277 -9.3010 -9.3010 -8.5953 -8.5953 -7.2977 -7.2977 -7.2030 -7.2030 -6.4491 -6.4491 2.6431 2.6431 2.6531 2.6531 4.8843 4.8843 6.2056 6.2056 7.3674 7.3674 7.8502 7.8502 7.8619 7.8619 7.8733 7.8733 8.3563 8.3563 8.3815 8.3815 8.9565 8.9565 8.9877 8.9877 14.2376 14.2376 15.4778 15.4778 16.0368 16.0368 16.6497 16.6497 16.8242 16.8242 k = 0.5000 0.2161 0.0000 ( 2712 PWs) bands (ev): -28.5005 -28.5005 -28.4998 -28.4998 -11.2936 -11.2936 -9.8481 -9.8481 -9.5709 -9.5709 -9.5042 -9.5042 -9.4273 -9.4273 -9.3006 -9.3006 -8.5958 -8.5958 -7.2972 -7.2972 -7.2039 -7.2039 -6.4491 -6.4491 2.6434 2.6434 2.6525 2.6525 4.8841 4.8841 6.2049 6.2049 7.3707 7.3707 7.8545 7.8545 7.8671 7.8671 7.8744 7.8744 8.3513 8.3513 8.3766 8.3766 8.9578 8.9578 8.9889 8.9889 14.2352 14.2352 15.4770 15.4770 16.0363 16.0363 16.6471 16.6471 16.8253 16.8253 k = 0.0000 0.0000 1.2601 ( 2730 PWs) bands (ev): -28.4709 -28.4709 -28.4439 -28.4439 -10.3831 -10.3831 -10.1763 -10.1763 -9.9832 -9.9832 -9.6580 -9.6580 -9.5498 -9.5498 -9.4981 -9.4981 -7.8398 -7.8398 -7.7611 -7.7611 -7.4480 -7.4480 -6.9920 -6.9920 0.1897 0.1897 4.5365 4.5365 5.8207 5.8207 5.8364 5.8364 6.2324 6.2324 6.7704 6.7704 7.6622 7.6622 7.7249 7.7249 8.2853 8.2853 8.8016 8.8016 9.4354 9.4354 9.6715 9.6715 14.9064 14.9064 15.8801 15.8801 16.6649 16.6649 17.2770 17.2770 17.2923 17.2923 k = 0.0179 0.0077 1.2601 ( 2726 PWs) bands (ev): -28.4709 -28.4709 -28.4439 -28.4439 -10.3830 -10.3830 -10.1765 -10.1765 -9.9830 -9.9830 -9.6578 -9.6578 -9.5499 -9.5499 -9.4982 -9.4982 -7.8398 -7.8398 -7.7611 -7.7611 -7.4479 -7.4479 -6.9921 -6.9921 0.1897 0.1897 4.5361 4.5361 5.8207 5.8207 5.8363 5.8363 6.2331 6.2331 6.7704 6.7704 7.6634 7.6634 7.7246 7.7246 8.2804 8.2804 8.8073 8.8073 9.4354 9.4354 9.6695 9.6695 14.9087 14.9087 15.8753 15.8753 16.6647 16.6647 17.2769 17.2770 17.2977 17.2977 k = 0.0357 0.0154 1.2601 ( 2728 PWs) bands (ev): -28.4709 -28.4709 -28.4439 -28.4439 -10.3829 -10.3829 -10.1770 -10.1770 -9.9827 -9.9827 -9.6572 -9.6572 -9.5505 -9.5505 -9.4983 -9.4983 -7.8397 -7.8397 -7.7612 -7.7612 -7.4474 -7.4474 -6.9925 -6.9925 0.1899 0.1899 4.5350 4.5350 5.8207 5.8207 5.8363 5.8363 6.2351 6.2351 6.7704 6.7704 7.6669 7.6669 7.7235 7.7235 8.2663 8.2663 8.8235 8.8235 9.4354 9.4354 9.6634 9.6634 14.9158 14.9158 15.8609 15.8609 16.6642 16.6642 17.2768 17.2768 17.3137 17.3137 k = 0.0536 0.0232 1.2601 ( 2710 PWs) bands (ev): -28.4709 -28.4709 -28.4439 -28.4439 -10.3825 -10.3825 -10.1777 -10.1777 -9.9821 -9.9821 -9.6562 -9.6562 -9.5514 -9.5514 -9.4984 -9.4984 -7.8395 -7.8395 -7.7614 -7.7614 -7.4467 -7.4467 -6.9932 -6.9932 0.1901 0.1901 4.5332 4.5332 5.8208 5.8208 5.8363 5.8363 6.2384 6.2384 6.7705 6.7705 7.6727 7.6727 7.7219 7.7219 8.2446 8.2446 8.8487 8.8487 9.4354 9.4354 9.6534 9.6534 14.9275 14.9275 15.8379 15.8379 16.6634 16.6634 17.2766 17.2766 17.3396 17.3396 k = 0.0714 0.0309 1.2601 ( 2710 PWs) bands (ev): -28.4709 -28.4709 -28.4439 -28.4439 -10.3822 -10.3822 -10.1787 -10.1787 -9.9814 -9.9814 -9.6549 -9.6549 -9.5526 -9.5526 -9.4988 -9.4988 -7.8392 -7.8392 -7.7616 -7.7616 -7.4458 -7.4458 -6.9940 -6.9940 0.1905 0.1905 4.5308 4.5308 5.8208 5.8208 5.8362 5.8362 6.2427 6.2427 6.7705 6.7705 7.6809 7.6809 7.7196 7.7196 8.2173 8.2173 8.8809 8.8809 9.4354 9.4354 9.6394 9.6394 14.9437 14.9437 15.8070 15.8070 16.6623 16.6623 17.2763 17.2763 17.3742 17.3742 k = 0.0893 0.0386 1.2601 ( 2698 PWs) bands (ev): -28.4709 -28.4709 -28.4439 -28.4439 -10.3817 -10.3817 -10.1799 -10.1799 -9.9804 -9.9804 -9.6532 -9.6532 -9.5541 -9.5541 -9.4991 -9.4991 -7.8389 -7.8389 -7.7619 -7.7619 -7.4446 -7.4446 -6.9950 -6.9950 0.1909 0.1909 4.5280 4.5280 5.8208 5.8208 5.8361 5.8361 6.2478 6.2478 6.7705 6.7705 7.6913 7.6913 7.7169 7.7169 8.1861 8.1861 8.9183 8.9183 9.4354 9.4354 9.6217 9.6217 14.9644 14.9644 15.7697 15.7697 16.6610 16.6610 17.2759 17.2759 17.4160 17.4162 k = 0.1071 0.0463 1.2601 ( 2698 PWs) bands (ev): -28.4709 -28.4709 -28.4439 -28.4439 -10.3813 -10.3813 -10.1813 -10.1813 -9.9794 -9.9794 -9.6513 -9.6513 -9.5558 -9.5558 -9.4996 -9.4996 -7.8386 -7.8386 -7.7623 -7.7623 -7.4433 -7.4433 -6.9961 -6.9961 0.1913 0.1913 4.5248 4.5248 5.8209 5.8209 5.8360 5.8360 6.2536 6.2536 6.7705 6.7705 7.7038 7.7038 7.7140 7.7140 8.1524 8.1524 8.9593 8.9593 9.4354 9.4354 9.6004 9.6004 14.9893 14.9893 15.7270 15.7270 16.6596 16.6596 17.2754 17.2754 17.4199 17.4199 k = 0.1250 0.0540 1.2601 ( 2700 PWs) bands (ev): -28.4709 -28.4709 -28.4439 -28.4439 -10.3808 -10.3808 -10.1828 -10.1828 -9.9784 -9.9784 -9.6492 -9.6492 -9.5577 -9.5577 -9.5001 -9.5001 -7.8382 -7.8382 -7.7626 -7.7626 -7.4419 -7.4419 -6.9973 -6.9973 0.1918 0.1918 4.5215 4.5215 5.8209 5.8209 5.8359 5.8359 6.2596 6.2596 6.7705 6.7705 7.7103 7.7103 7.7192 7.7192 8.1174 8.1174 9.0029 9.0029 9.4354 9.4354 9.5756 9.5756 15.0183 15.0183 15.6802 15.6802 16.6580 16.6580 17.2749 17.2749 17.4225 17.4225 k = 0.1429 0.0618 1.2601 ( 2700 PWs) bands (ev): -28.4709 -28.4709 -28.4439 -28.4439 -10.3803 -10.3803 -10.1842 -10.1842 -9.9774 -9.9774 -9.6470 -9.6470 -9.5597 -9.5597 -9.5006 -9.5006 -7.8379 -7.8379 -7.7630 -7.7630 -7.4406 -7.4406 -6.9986 -6.9986 0.1922 0.1922 4.5182 4.5182 5.8210 5.8210 5.8358 5.8358 6.2657 6.2657 6.7705 6.7705 7.7072 7.7072 7.7362 7.7362 8.0818 8.0818 9.0481 9.0481 9.4353 9.4353 9.5476 9.5476 15.0511 15.0511 15.6304 15.6304 16.6565 16.6565 17.2744 17.2744 17.4252 17.4252 k = 0.1607 0.0695 1.2601 ( 2704 PWs) bands (ev): -28.4709 -28.4709 -28.4439 -28.4439 -10.3798 -10.3798 -10.1856 -10.1856 -9.9764 -9.9764 -9.6449 -9.6449 -9.5617 -9.5617 -9.5011 -9.5011 -7.8375 -7.8375 -7.7634 -7.7634 -7.4392 -7.4392 -6.9997 -6.9997 0.1927 0.1927 4.5151 4.5151 5.8210 5.8210 5.8357 5.8357 6.2714 6.2714 6.7705 6.7705 7.7041 7.7041 7.7554 7.7554 8.0463 8.0463 9.0943 9.0943 9.4352 9.4352 9.5165 9.5165 15.0876 15.0876 15.5785 15.5785 16.6551 16.6551 17.2738 17.2738 17.4277 17.4277 k = 0.1786 0.0772 1.2601 ( 2708 PWs) bands (ev): -28.4709 -28.4709 -28.4439 -28.4439 -10.3794 -10.3794 -10.1868 -10.1868 -9.9756 -9.9756 -9.6429 -9.6429 -9.5636 -9.5636 -9.5015 -9.5015 -7.8372 -7.8372 -7.7637 -7.7637 -7.4381 -7.4381 -7.0008 -7.0008 0.1931 0.1931 4.5124 4.5124 5.8211 5.8211 5.8357 5.8357 6.2766 6.2766 6.7705 6.7705 7.7013 7.7013 7.7767 7.7767 8.0112 8.0112 9.1409 9.1409 9.4350 9.4350 9.4828 9.4828 15.1273 15.1273 15.5254 15.5254 16.6538 16.6538 17.2733 17.2733 17.4299 17.4299 k = 0.1964 0.0849 1.2601 ( 2704 PWs) bands (ev): -28.4709 -28.4709 -28.4439 -28.4439 -10.3790 -10.3790 -10.1878 -10.1878 -9.9749 -9.9749 -9.6411 -9.6411 -9.5652 -9.5652 -9.5019 -9.5019 -7.8370 -7.8370 -7.7640 -7.7640 -7.4371 -7.4371 -7.0016 -7.0016 0.1934 0.1934 4.5100 4.5100 5.8211 5.8211 5.8356 5.8356 6.2809 6.2809 6.7705 6.7705 7.6990 7.6990 7.8000 7.8000 7.9769 7.9769 9.1875 9.1875 9.4336 9.4336 9.4477 9.4477 15.1702 15.1702 15.4718 15.4718 16.6527 16.6527 17.2729 17.2729 17.4318 17.4318 k = 0.2143 0.0926 1.2601 ( 2704 PWs) bands (ev): -28.4709 -28.4709 -28.4439 -28.4439 -10.3787 -10.3787 -10.1886 -10.1886 -9.9744 -9.9744 -9.6397 -9.6397 -9.5665 -9.5665 -9.5021 -9.5021 -7.8368 -7.8368 -7.7642 -7.7642 -7.4363 -7.4363 -7.0023 -7.0023 0.1936 0.1936 4.5083 4.5083 5.8211 5.8211 5.8355 5.8355 6.2842 6.2842 6.7705 6.7705 7.6972 7.6972 7.8253 7.8253 7.9437 7.9437 9.2335 9.2335 9.4061 9.4061 9.4364 9.4364 15.2158 15.2158 15.4183 15.4183 16.6519 16.6519 17.2727 17.2727 17.4332 17.4332 k = 0.2321 0.1003 1.2601 ( 2712 PWs) bands (ev): -28.4709 -28.4709 -28.4439 -28.4439 -10.3785 -10.3785 -10.1890 -10.1890 -9.9741 -9.9741 -9.6389 -9.6389 -9.5673 -9.5673 -9.5023 -9.5023 -7.8366 -7.8366 -7.7643 -7.7643 -7.4359 -7.4359 -7.0027 -7.0027 0.1938 0.1938 4.5072 4.5072 5.8212 5.8212 5.8355 5.8355 6.2862 6.2862 6.7705 6.7705 7.6961 7.6961 7.8524 7.8524 7.9118 7.9118 9.2786 9.2786 9.3658 9.3658 9.4360 9.4360 15.2638 15.2638 15.3655 15.3655 16.6514 16.6514 17.2725 17.2725 17.4340 17.4340 k = 0.2500 0.1081 1.2601 ( 2704 PWs) bands (ev): -28.4709 -28.4709 -28.4439 -28.4439 -10.3785 -10.3785 -10.1892 -10.1892 -9.9739 -9.9739 -9.6385 -9.6385 -9.5676 -9.5676 -9.5024 -9.5024 -7.8366 -7.8366 -7.7643 -7.7643 -7.4357 -7.4357 -7.0028 -7.0028 0.1938 0.1938 4.5069 4.5069 5.8212 5.8212 5.8355 5.8355 6.2868 6.2868 6.7705 6.7705 7.6957 7.6957 7.8797 7.8797 7.8829 7.8829 9.3182 9.3182 9.3278 9.3278 9.4359 9.4359 15.3133 15.3133 15.3144 15.3144 16.6513 16.6513 17.2724 17.2724 17.4343 17.4343 Writing output data file Ca2SiO4.save init_run : 0.41s CPU 0.61s WALL ( 1 calls) electrons : 599.30s CPU 606.91s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.04s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 599.28s CPU 606.90s 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 : 0.05s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.07s WALL ( 382 calls) cegterg : 576.78s CPU 582.84s WALL ( 1542 calls) Called by sum_band: Called by *egterg: h_psi : 322.12s CPU 326.16s WALL ( 29188 calls) s_psi : 12.19s CPU 12.19s WALL ( 29188 calls) g_psi : 0.43s CPU 0.42s WALL ( 27264 calls) cdiaghg : 227.04s CPU 228.76s WALL ( 27646 calls) cegterg:over : 12.54s CPU 12.77s WALL ( 27264 calls) cegterg:upda : 11.70s CPU 11.88s WALL ( 27264 calls) cegterg:last : 4.36s CPU 4.49s WALL ( 2725 calls) cdiaghg:chol : 12.22s CPU 12.50s WALL ( 27646 calls) cdiaghg:inve : 9.04s CPU 8.92s WALL ( 27646 calls) cdiaghg:para : 13.57s CPU 13.95s WALL ( 55292 calls) Called by h_psi: h_psi:vloc : 293.86s CPU 297.84s WALL ( 29188 calls) h_psi:vnl : 27.82s CPU 27.88s WALL ( 29188 calls) add_vuspsi : 14.67s CPU 14.81s WALL ( 29188 calls) General routines calbec : 13.08s CPU 13.00s WALL ( 29188 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 275.25s CPU 279.00s WALL ( 1956040 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.22s WALL ( 764 calls) Parallel routines fft_scatter : 78.86s CPU 79.94s WALL ( 1956063 calls) PWSCF : 10m17.01s CPU 10m53.43s WALL This run was terminated on: 16:55:25 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=