Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:57:37 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: ./BaxFePx2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 63 48 14 1066 718 118 Max 64 49 15 1068 732 119 Sum 2289 1761 527 38409 26075 4267 bravais-lattice index = 14 lattice parameter (alat) = 12.8270 a.u. unit-cell volume = 619.0406 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.827000 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.839978 celldm(5)= -0.839978 celldm(6)= 0.679956 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.679956 0.733253 0.000000 ) a(3) = ( -0.839978 -0.366627 0.400028 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.927314 1.249914 ) b(2) = ( 0.000000 1.363786 1.249914 ) b(3) = ( 0.000000 0.000000 2.499827 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 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 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 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 P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 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 Ba 10.00 137.32700 Ba( 1.00) Fe 8.00 55.84500 Fe( 1.00) P 5.00 30.97380 P( 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= 357 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 2) = ( 0.0000000 0.0000000 0.0215502), wk = 0.0028011 k( 3) = ( 0.0000000 0.0000000 0.0431005), wk = 0.0028011 k( 4) = ( 0.0000000 0.0000000 0.0646507), wk = 0.0028011 k( 5) = ( 0.0000000 0.0000000 0.0862010), wk = 0.0028011 k( 6) = ( 0.0000000 0.0000000 0.1077512), wk = 0.0028011 k( 7) = ( 0.0000000 0.0000000 0.1293014), wk = 0.0028011 k( 8) = ( 0.0000000 0.0000000 0.1508517), wk = 0.0028011 k( 9) = ( 0.0000000 0.0000000 0.1724019), wk = 0.0028011 k( 10) = ( 0.0000000 0.0000000 0.1939521), wk = 0.0028011 k( 11) = ( 0.0000000 0.0000000 0.2155024), wk = 0.0028011 k( 12) = ( 0.0000000 0.0000000 0.2370526), wk = 0.0028011 k( 13) = ( 0.0000000 0.0000000 0.2586029), wk = 0.0028011 k( 14) = ( 0.0000000 0.0000000 0.2801531), wk = 0.0028011 k( 15) = ( 0.0000000 0.0000000 0.3017033), wk = 0.0028011 k( 16) = ( 0.0000000 0.0000000 0.3232535), wk = 0.0028011 k( 17) = ( 0.0000000 0.0000000 0.3448038), wk = 0.0028011 k( 18) = ( 0.0000000 0.0000000 0.3663540), wk = 0.0028011 k( 19) = ( 0.0000000 0.0000000 0.3879043), wk = 0.0028011 k( 20) = ( 0.0000000 0.0000000 0.4094545), wk = 0.0028011 k( 21) = ( 0.0000000 0.0000000 0.4310047), wk = 0.0028011 k( 22) = ( 0.0000000 0.0000000 0.4525550), wk = 0.0028011 k( 23) = ( 0.0000000 0.0000000 0.4741052), wk = 0.0028011 k( 24) = ( 0.0000000 0.0000000 0.4956554), wk = 0.0028011 k( 25) = ( 0.0000000 0.0000000 0.5172057), wk = 0.0028011 k( 26) = ( 0.0000000 0.0000000 0.5387559), wk = 0.0028011 k( 27) = ( 0.0000000 0.0000000 0.5603062), wk = 0.0028011 k( 28) = ( 0.0000000 0.0000000 0.5818564), wk = 0.0028011 k( 29) = ( 0.0000000 0.0000000 0.6034066), wk = 0.0028011 k( 30) = ( 0.0000000 0.0000000 0.6249569), wk = 0.0028011 k( 31) = ( 0.0000000 0.0000000 0.6465071), wk = 0.0028011 k( 32) = ( 0.0000000 0.0000000 0.6680573), wk = 0.0028011 k( 33) = ( 0.0000000 0.0000000 0.6896076), wk = 0.0028011 k( 34) = ( 0.0000000 0.0000000 0.7111578), wk = 0.0028011 k( 35) = ( 0.0000000 0.0000000 0.7327081), wk = 0.0028011 k( 36) = ( 0.0000000 0.0000000 0.7542583), wk = 0.0028011 k( 37) = ( 0.0000000 0.0000000 0.7758085), wk = 0.0028011 k( 38) = ( 0.0000000 0.0000000 0.7973588), wk = 0.0028011 k( 39) = ( 0.0000000 0.0000000 0.8189090), wk = 0.0028011 k( 40) = ( 0.0000000 0.0000000 0.8404593), wk = 0.0028011 k( 41) = ( 0.0000000 0.0000000 0.8620095), wk = 0.0028011 k( 42) = ( 0.0000000 0.0000000 0.8835597), wk = 0.0028011 k( 43) = ( 0.0000000 0.0000000 0.9051100), wk = 0.0028011 k( 44) = ( 0.0000000 0.0000000 0.9266602), wk = 0.0028011 k( 45) = ( 0.0000000 0.0000000 0.9482104), wk = 0.0028011 k( 46) = ( 0.0000000 0.0000000 0.9697607), wk = 0.0028011 k( 47) = ( 0.0000000 0.0000000 0.9913109), wk = 0.0028011 k( 48) = ( 0.0000000 0.0000000 1.0128611), wk = 0.0028011 k( 49) = ( 0.0000000 0.0000000 1.0344114), wk = 0.0028011 k( 50) = ( 0.0000000 0.0000000 1.0559616), wk = 0.0028011 k( 51) = ( 0.0000000 0.0000000 1.0775118), wk = 0.0028011 k( 52) = ( 0.0000000 0.0000000 1.0990621), wk = 0.0028011 k( 53) = ( 0.0000000 0.0000000 1.1206123), wk = 0.0028011 k( 54) = ( 0.0000000 0.0000000 1.1421626), wk = 0.0028011 k( 55) = ( 0.0000000 0.0000000 1.1637128), wk = 0.0028011 k( 56) = ( 0.0000000 0.0000000 1.1852630), wk = 0.0028011 k( 57) = ( 0.0000000 0.0000000 1.2068133), wk = 0.0028011 k( 58) = ( 0.0000000 0.0000000 1.2283635), wk = 0.0028011 k( 59) = ( 0.0000000 0.0000000 1.2499137), wk = 0.0028011 k( 60) = ( 0.0000000 0.0000000 1.2499137), wk = 0.0028011 k( 61) = ( -0.0079378 0.0181863 1.2499137), wk = 0.0028011 k( 62) = ( -0.0158756 0.0363726 1.2499137), wk = 0.0028011 k( 63) = ( -0.0238134 0.0545590 1.2499137), wk = 0.0028011 k( 64) = ( -0.0317513 0.0727453 1.2499137), wk = 0.0028011 k( 65) = ( -0.0396891 0.0909316 1.2499137), wk = 0.0028011 k( 66) = ( -0.0476269 0.1091179 1.2499137), wk = 0.0028011 k( 67) = ( -0.0476269 0.1091179 1.2499137), wk = 0.0028011 k( 68) = ( -0.0535791 0.1227552 1.2350341), wk = 0.0028011 k( 69) = ( -0.0595314 0.1363924 1.2201544), wk = 0.0028011 k( 70) = ( -0.0654837 0.1500297 1.2052748), wk = 0.0028011 k( 71) = ( -0.0714360 0.1636669 1.1903951), wk = 0.0028011 k( 72) = ( -0.0773883 0.1773042 1.1755154), wk = 0.0028011 k( 73) = ( -0.0833405 0.1909415 1.1606357), wk = 0.0028011 k( 74) = ( -0.0892928 0.2045787 1.1457561), wk = 0.0028011 k( 75) = ( -0.0952451 0.2182160 1.1308764), wk = 0.0028011 k( 76) = ( -0.1011974 0.2318533 1.1159967), wk = 0.0028011 k( 77) = ( -0.1071496 0.2454905 1.1011171), wk = 0.0028011 k( 78) = ( -0.1131019 0.2591278 1.0862374), wk = 0.0028011 k( 79) = ( -0.1190542 0.2727651 1.0713577), wk = 0.0028011 k( 80) = ( -0.1250065 0.2864023 1.0564781), wk = 0.0028011 k( 81) = ( -0.1309588 0.3000396 1.0415984), wk = 0.0028011 k( 82) = ( -0.1369110 0.3136768 1.0267187), wk = 0.0028011 k( 83) = ( -0.1428633 0.3273141 1.0118391), wk = 0.0028011 k( 84) = ( -0.1488156 0.3409514 0.9969594), wk = 0.0028011 k( 85) = ( -0.1547679 0.3545886 0.9820797), wk = 0.0028011 k( 86) = ( -0.1607202 0.3682259 0.9672001), wk = 0.0028011 k( 87) = ( -0.1666724 0.3818631 0.9523204), wk = 0.0028011 k( 88) = ( -0.1726247 0.3955004 0.9374407), wk = 0.0028011 k( 89) = ( -0.1785770 0.4091377 0.9225610), wk = 0.0028011 k( 90) = ( -0.1845293 0.4227749 0.9076814), wk = 0.0028011 k( 91) = ( -0.1904815 0.4364122 0.8928017), wk = 0.0028011 k( 92) = ( -0.1964338 0.4500495 0.8779220), wk = 0.0028011 k( 93) = ( -0.2023861 0.4636867 0.8630424), wk = 0.0028011 k( 94) = ( -0.2083384 0.4773240 0.8481627), wk = 0.0028011 k( 95) = ( -0.2142907 0.4909613 0.8332830), wk = 0.0028011 k( 96) = ( -0.2202429 0.5045985 0.8184034), wk = 0.0028011 k( 97) = ( -0.2261952 0.5182358 0.8035237), wk = 0.0028011 k( 98) = ( -0.2321475 0.5318730 0.7886440), wk = 0.0028011 k( 99) = ( -0.2380998 0.5455103 0.7737644), wk = 0.0028011 k( 100) = ( -0.2440520 0.5591476 0.7588847), wk = 0.0028011 k( 101) = ( -0.2500043 0.5727848 0.7440050), wk = 0.0028011 k( 102) = ( -0.2559566 0.5864221 0.7291254), wk = 0.0028011 k( 103) = ( -0.2619089 0.6000593 0.7142457), wk = 0.0028011 k( 104) = ( -0.2678612 0.6136966 0.6993660), wk = 0.0028011 k( 105) = ( -0.2738134 0.6273339 0.6844864), wk = 0.0028011 k( 106) = ( -0.2738134 0.6273339 0.6844864), wk = 0.0028011 k( 107) = ( -0.2677287 0.6133931 0.6692755), wk = 0.0028011 k( 108) = ( -0.2616440 0.5994524 0.6540647), wk = 0.0028011 k( 109) = ( -0.2555592 0.5855116 0.6388539), wk = 0.0028011 k( 110) = ( -0.2494745 0.5715708 0.6236431), wk = 0.0028011 k( 111) = ( -0.2433897 0.5576301 0.6084323), wk = 0.0028011 k( 112) = ( -0.2373050 0.5436894 0.5932215), wk = 0.0028011 k( 113) = ( -0.2312202 0.5297486 0.5780107), wk = 0.0028011 k( 114) = ( -0.2251355 0.5158078 0.5627999), wk = 0.0028011 k( 115) = ( -0.2190507 0.5018671 0.5475891), wk = 0.0028011 k( 116) = ( -0.2129660 0.4879263 0.5323783), wk = 0.0028011 k( 117) = ( -0.2068813 0.4739856 0.5171675), wk = 0.0028011 k( 118) = ( -0.2007965 0.4600448 0.5019567), wk = 0.0028011 k( 119) = ( -0.1947118 0.4461041 0.4867459), wk = 0.0028011 k( 120) = ( -0.1886270 0.4321633 0.4715350), wk = 0.0028011 k( 121) = ( -0.1825423 0.4182226 0.4563242), wk = 0.0028011 k( 122) = ( -0.1764575 0.4042818 0.4411134), wk = 0.0028011 k( 123) = ( -0.1703728 0.3903411 0.4259026), wk = 0.0028011 k( 124) = ( -0.1642881 0.3764003 0.4106918), wk = 0.0028011 k( 125) = ( -0.1582033 0.3624596 0.3954810), wk = 0.0028011 k( 126) = ( -0.1521186 0.3485188 0.3802702), wk = 0.0028011 k( 127) = ( -0.1460338 0.3345781 0.3650594), wk = 0.0028011 k( 128) = ( -0.1399491 0.3206373 0.3498486), wk = 0.0028011 k( 129) = ( -0.1338643 0.3066966 0.3346378), wk = 0.0028011 k( 130) = ( -0.1277796 0.2927558 0.3194270), wk = 0.0028011 k( 131) = ( -0.1216949 0.2788150 0.3042162), wk = 0.0028011 k( 132) = ( -0.1156101 0.2648743 0.2890054), wk = 0.0028011 k( 133) = ( -0.1095254 0.2509335 0.2737945), wk = 0.0028011 k( 134) = ( -0.1034406 0.2369928 0.2585837), wk = 0.0028011 k( 135) = ( -0.0973559 0.2230520 0.2433729), wk = 0.0028011 k( 136) = ( -0.0912711 0.2091113 0.2281621), wk = 0.0028011 k( 137) = ( -0.0851864 0.1951705 0.2129513), wk = 0.0028011 k( 138) = ( -0.0791017 0.1812298 0.1977405), wk = 0.0028011 k( 139) = ( -0.0730169 0.1672890 0.1825297), wk = 0.0028011 k( 140) = ( -0.0669322 0.1533483 0.1673189), wk = 0.0028011 k( 141) = ( -0.0608474 0.1394075 0.1521081), wk = 0.0028011 k( 142) = ( -0.0547627 0.1254668 0.1368973), wk = 0.0028011 k( 143) = ( -0.0486779 0.1115260 0.1216865), wk = 0.0028011 k( 144) = ( -0.0425932 0.0975853 0.1064757), wk = 0.0028011 k( 145) = ( -0.0365085 0.0836445 0.0912649), wk = 0.0028011 k( 146) = ( -0.0304237 0.0697038 0.0760541), wk = 0.0028011 k( 147) = ( -0.0243390 0.0557630 0.0608432), wk = 0.0028011 k( 148) = ( -0.0182542 0.0418223 0.0456324), wk = 0.0028011 k( 149) = ( -0.0121695 0.0278815 0.0304216), wk = 0.0028011 k( 150) = ( -0.0060847 0.0139407 0.0152108), wk = 0.0028011 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 153) = ( 0.0192308 0.0083937 -0.0000000), wk = 0.0028011 k( 154) = ( 0.0384615 0.0167874 -0.0000000), wk = 0.0028011 k( 155) = ( 0.0576923 0.0251811 -0.0000000), wk = 0.0028011 k( 156) = ( 0.0769231 0.0335747 -0.0000000), wk = 0.0028011 k( 157) = ( 0.0961538 0.0419684 -0.0000000), wk = 0.0028011 k( 158) = ( 0.1153846 0.0503621 -0.0000000), wk = 0.0028011 k( 159) = ( 0.1346154 0.0587558 -0.0000000), wk = 0.0028011 k( 160) = ( 0.1538461 0.0671495 -0.0000000), wk = 0.0028011 k( 161) = ( 0.1730769 0.0755432 -0.0000000), wk = 0.0028011 k( 162) = ( 0.1923077 0.0839369 -0.0000000), wk = 0.0028011 k( 163) = ( 0.2115385 0.0923305 -0.0000000), wk = 0.0028011 k( 164) = ( 0.2307692 0.1007242 -0.0000000), wk = 0.0028011 k( 165) = ( 0.2500000 0.1091179 -0.0000000), wk = 0.0028011 k( 166) = ( 0.2692308 0.1175116 -0.0000000), wk = 0.0028011 k( 167) = ( 0.2884615 0.1259053 -0.0000000), wk = 0.0028011 k( 168) = ( 0.3076923 0.1342990 -0.0000000), wk = 0.0028011 k( 169) = ( 0.3269231 0.1426927 -0.0000000), wk = 0.0028011 k( 170) = ( 0.3461538 0.1510863 -0.0000000), wk = 0.0028011 k( 171) = ( 0.3653846 0.1594800 -0.0000000), wk = 0.0028011 k( 172) = ( 0.3846154 0.1678737 -0.0000000), wk = 0.0028011 k( 173) = ( 0.4038462 0.1762674 -0.0000000), wk = 0.0028011 k( 174) = ( 0.4230769 0.1846611 -0.0000000), wk = 0.0028011 k( 175) = ( 0.4423077 0.1930548 -0.0000000), wk = 0.0028011 k( 176) = ( 0.4615385 0.2014484 -0.0000000), wk = 0.0028011 k( 177) = ( 0.4807692 0.2098421 -0.0000000), wk = 0.0028011 k( 178) = ( 0.5000000 0.2182358 -0.0000000), wk = 0.0028011 k( 179) = ( 0.5000000 0.2182358 -0.0000000), wk = 0.0028011 k( 180) = ( 0.4940477 0.2318731 0.0148797), wk = 0.0028011 k( 181) = ( 0.4880954 0.2455104 0.0297593), wk = 0.0028011 k( 182) = ( 0.4821432 0.2591476 0.0446390), wk = 0.0028011 k( 183) = ( 0.4761909 0.2727849 0.0595187), wk = 0.0028011 k( 184) = ( 0.4702386 0.2864221 0.0743983), wk = 0.0028011 k( 185) = ( 0.4642863 0.3000594 0.0892780), wk = 0.0028011 k( 186) = ( 0.4583340 0.3136967 0.1041577), wk = 0.0028011 k( 187) = ( 0.4523818 0.3273339 0.1190373), wk = 0.0028011 k( 188) = ( 0.4464295 0.3409712 0.1339170), wk = 0.0028011 k( 189) = ( 0.4404772 0.3546084 0.1487967), wk = 0.0028011 k( 190) = ( 0.4345249 0.3682457 0.1636764), wk = 0.0028011 k( 191) = ( 0.4285727 0.3818830 0.1785560), wk = 0.0028011 k( 192) = ( 0.4226204 0.3955202 0.1934357), wk = 0.0028011 k( 193) = ( 0.4166681 0.4091575 0.2083153), wk = 0.0028011 k( 194) = ( 0.4107158 0.4227947 0.2231950), wk = 0.0028011 k( 195) = ( 0.4047636 0.4364320 0.2380747), wk = 0.0028011 k( 196) = ( 0.3988113 0.4500693 0.2529544), wk = 0.0028011 k( 197) = ( 0.3928590 0.4637065 0.2678340), wk = 0.0028011 k( 198) = ( 0.3869067 0.4773438 0.2827137), wk = 0.0028011 k( 199) = ( 0.3809544 0.4909811 0.2975934), wk = 0.0028011 k( 200) = ( 0.3750022 0.5046183 0.3124730), wk = 0.0028011 k( 201) = ( 0.3690499 0.5182556 0.3273527), wk = 0.0028011 k( 202) = ( 0.3630976 0.5318928 0.3422324), wk = 0.0028011 k( 203) = ( 0.3571453 0.5455301 0.3571120), wk = 0.0028011 k( 204) = ( 0.3511931 0.5591674 0.3719917), wk = 0.0028011 k( 205) = ( 0.3452408 0.5728046 0.3868714), wk = 0.0028011 k( 206) = ( 0.3392885 0.5864419 0.4017511), wk = 0.0028011 k( 207) = ( 0.3333362 0.6000791 0.4166307), wk = 0.0028011 k( 208) = ( 0.3273839 0.6137164 0.4315104), wk = 0.0028011 k( 209) = ( 0.3214317 0.6273537 0.4463900), wk = 0.0028011 k( 210) = ( 0.3154794 0.6409909 0.4612697), wk = 0.0028011 k( 211) = ( 0.3095271 0.6546282 0.4761494), wk = 0.0028011 k( 212) = ( 0.3035748 0.6682655 0.4910290), wk = 0.0028011 k( 213) = ( 0.2976225 0.6819027 0.5059087), wk = 0.0028011 k( 214) = ( 0.2916703 0.6955400 0.5207884), wk = 0.0028011 k( 215) = ( 0.2857180 0.7091773 0.5356681), wk = 0.0028011 k( 216) = ( 0.2797657 0.7228145 0.5505477), wk = 0.0028011 k( 217) = ( 0.2738134 0.7364518 0.5654274), wk = 0.0028011 k( 218) = ( 0.2738134 0.7364518 0.5654274), wk = 0.0028011 k( 219) = ( 0.2542553 0.7325547 0.5696795), wk = 0.0028011 k( 220) = ( 0.2346972 0.7286576 0.5739316), wk = 0.0028011 k( 221) = ( 0.2151391 0.7247606 0.5781837), wk = 0.0028011 k( 222) = ( 0.1955810 0.7208635 0.5824358), wk = 0.0028011 k( 223) = ( 0.1760229 0.7169664 0.5866879), wk = 0.0028011 k( 224) = ( 0.1564648 0.7130694 0.5909400), wk = 0.0028011 k( 225) = ( 0.1369067 0.7091723 0.5951921), wk = 0.0028011 k( 226) = ( 0.1173486 0.7052752 0.5994442), wk = 0.0028011 k( 227) = ( 0.0977905 0.7013782 0.6036964), wk = 0.0028011 k( 228) = ( 0.0782324 0.6974811 0.6079484), wk = 0.0028011 k( 229) = ( 0.0586743 0.6935840 0.6122006), wk = 0.0028011 k( 230) = ( 0.0391162 0.6896870 0.6164527), wk = 0.0028011 k( 231) = ( 0.0195581 0.6857899 0.6207048), wk = 0.0028011 k( 232) = ( 0.0000000 0.6818928 0.6249569), wk = 0.0028011 k( 233) = ( 0.0000000 0.6818928 0.6249569), wk = 0.0028011 k( 234) = ( 0.0060976 0.6679227 0.6401997), wk = 0.0028011 k( 235) = ( 0.0121951 0.6539526 0.6554426), wk = 0.0028011 k( 236) = ( 0.0182927 0.6399825 0.6706854), wk = 0.0028011 k( 237) = ( 0.0243902 0.6260123 0.6859283), wk = 0.0028011 k( 238) = ( 0.0304878 0.6120422 0.7011711), wk = 0.0028011 k( 239) = ( 0.0365854 0.5980721 0.7164140), wk = 0.0028011 k( 240) = ( 0.0426829 0.5841020 0.7316568), wk = 0.0028011 k( 241) = ( 0.0487805 0.5701319 0.7468997), wk = 0.0028011 k( 242) = ( 0.0548780 0.5561617 0.7621425), wk = 0.0028011 k( 243) = ( 0.0609756 0.5421916 0.7773854), wk = 0.0028011 k( 244) = ( 0.0670732 0.5282215 0.7926282), wk = 0.0028011 k( 245) = ( 0.0731707 0.5142514 0.8078711), wk = 0.0028011 k( 246) = ( 0.0792683 0.5002813 0.8231139), wk = 0.0028011 k( 247) = ( 0.0853658 0.4863111 0.8383568), wk = 0.0028011 k( 248) = ( 0.0914634 0.4723410 0.8535996), wk = 0.0028011 k( 249) = ( 0.0975610 0.4583709 0.8688425), wk = 0.0028011 k( 250) = ( 0.1036585 0.4444008 0.8840853), wk = 0.0028011 k( 251) = ( 0.1097561 0.4304307 0.8993282), wk = 0.0028011 k( 252) = ( 0.1158537 0.4164605 0.9145710), wk = 0.0028011 k( 253) = ( 0.1219512 0.4024904 0.9298139), wk = 0.0028011 k( 254) = ( 0.1280488 0.3885203 0.9450567), wk = 0.0028011 k( 255) = ( 0.1341463 0.3745502 0.9602996), wk = 0.0028011 k( 256) = ( 0.1402439 0.3605801 0.9755424), wk = 0.0028011 k( 257) = ( 0.1463415 0.3466100 0.9907853), wk = 0.0028011 k( 258) = ( 0.1524390 0.3326398 1.0060281), wk = 0.0028011 k( 259) = ( 0.1585366 0.3186697 1.0212710), wk = 0.0028011 k( 260) = ( 0.1646342 0.3046996 1.0365138), wk = 0.0028011 k( 261) = ( 0.1707317 0.2907295 1.0517567), wk = 0.0028011 k( 262) = ( 0.1768293 0.2767593 1.0669995), wk = 0.0028011 k( 263) = ( 0.1829268 0.2627892 1.0822424), wk = 0.0028011 k( 264) = ( 0.1890244 0.2488191 1.0974852), wk = 0.0028011 k( 265) = ( 0.1951219 0.2348490 1.1127281), wk = 0.0028011 k( 266) = ( 0.2012195 0.2208789 1.1279709), wk = 0.0028011 k( 267) = ( 0.2073171 0.2069088 1.1432138), wk = 0.0028011 k( 268) = ( 0.2134146 0.1929386 1.1584566), wk = 0.0028011 k( 269) = ( 0.2195122 0.1789685 1.1736995), wk = 0.0028011 k( 270) = ( 0.2256098 0.1649984 1.1889424), wk = 0.0028011 k( 271) = ( 0.2317073 0.1510283 1.2041852), wk = 0.0028011 k( 272) = ( 0.2378049 0.1370581 1.2194281), wk = 0.0028011 k( 273) = ( 0.2439024 0.1230880 1.2346709), wk = 0.0028011 k( 274) = ( 0.2500000 0.1091179 1.2499137), wk = 0.0028011 k( 275) = ( 0.2500000 0.1091179 1.2499137), wk = 0.0028011 k( 276) = ( 0.2678571 0.1169120 1.2414095), wk = 0.0028011 k( 277) = ( 0.2857143 0.1247062 1.2329053), wk = 0.0028011 k( 278) = ( 0.3035714 0.1325003 1.2244011), wk = 0.0028011 k( 279) = ( 0.3214286 0.1402945 1.2158969), wk = 0.0028011 k( 280) = ( 0.3392857 0.1480886 1.2073927), wk = 0.0028011 k( 281) = ( 0.3571429 0.1558827 1.1988885), wk = 0.0028011 k( 282) = ( 0.3750000 0.1636769 1.1903843), wk = 0.0028011 k( 283) = ( 0.3928571 0.1714710 1.1818800), wk = 0.0028011 k( 284) = ( 0.4107143 0.1792651 1.1733759), wk = 0.0028011 k( 285) = ( 0.4285714 0.1870593 1.1648716), wk = 0.0028011 k( 286) = ( 0.4464286 0.1948534 1.1563674), wk = 0.0028011 k( 287) = ( 0.4642857 0.2026475 1.1478632), wk = 0.0028011 k( 288) = ( 0.4821429 0.2104417 1.1393590), wk = 0.0028011 k( 289) = ( 0.5000000 0.2182358 1.1308548), wk = 0.0028011 k( 290) = ( 0.5000000 0.2182358 1.1308548), wk = 0.0028011 k( 291) = ( 0.5000000 0.2182358 1.1095179), wk = 0.0028011 k( 292) = ( 0.5000000 0.2182358 1.0881810), wk = 0.0028011 k( 293) = ( 0.5000000 0.2182358 1.0668441), wk = 0.0028011 k( 294) = ( 0.5000000 0.2182358 1.0455073), wk = 0.0028011 k( 295) = ( 0.5000000 0.2182358 1.0241704), wk = 0.0028011 k( 296) = ( 0.5000000 0.2182358 1.0028335), wk = 0.0028011 k( 297) = ( 0.5000000 0.2182358 0.9814966), wk = 0.0028011 k( 298) = ( 0.5000000 0.2182358 0.9601597), wk = 0.0028011 k( 299) = ( 0.5000000 0.2182358 0.9388228), wk = 0.0028011 k( 300) = ( 0.5000000 0.2182358 0.9174860), wk = 0.0028011 k( 301) = ( 0.5000000 0.2182358 0.8961491), wk = 0.0028011 k( 302) = ( 0.5000000 0.2182358 0.8748122), wk = 0.0028011 k( 303) = ( 0.5000000 0.2182358 0.8534753), wk = 0.0028011 k( 304) = ( 0.5000000 0.2182358 0.8321384), wk = 0.0028011 k( 305) = ( 0.5000000 0.2182358 0.8108015), wk = 0.0028011 k( 306) = ( 0.5000000 0.2182358 0.7894647), wk = 0.0028011 k( 307) = ( 0.5000000 0.2182358 0.7681278), wk = 0.0028011 k( 308) = ( 0.5000000 0.2182358 0.7467909), wk = 0.0028011 k( 309) = ( 0.5000000 0.2182358 0.7254540), wk = 0.0028011 k( 310) = ( 0.5000000 0.2182358 0.7041171), wk = 0.0028011 k( 311) = ( 0.5000000 0.2182358 0.6827803), wk = 0.0028011 k( 312) = ( 0.5000000 0.2182358 0.6614434), wk = 0.0028011 k( 313) = ( 0.5000000 0.2182358 0.6401065), wk = 0.0028011 k( 314) = ( 0.5000000 0.2182358 0.6187696), wk = 0.0028011 k( 315) = ( 0.5000000 0.2182358 0.5974327), wk = 0.0028011 k( 316) = ( 0.5000000 0.2182358 0.5760958), wk = 0.0028011 k( 317) = ( 0.5000000 0.2182358 0.5547589), wk = 0.0028011 k( 318) = ( 0.5000000 0.2182358 0.5334221), wk = 0.0028011 k( 319) = ( 0.5000000 0.2182358 0.5120852), wk = 0.0028011 k( 320) = ( 0.5000000 0.2182358 0.4907483), wk = 0.0028011 k( 321) = ( 0.5000000 0.2182358 0.4694114), wk = 0.0028011 k( 322) = ( 0.5000000 0.2182358 0.4480745), wk = 0.0028011 k( 323) = ( 0.5000000 0.2182358 0.4267377), wk = 0.0028011 k( 324) = ( 0.5000000 0.2182358 0.4054008), wk = 0.0028011 k( 325) = ( 0.5000000 0.2182358 0.3840639), wk = 0.0028011 k( 326) = ( 0.5000000 0.2182358 0.3627270), wk = 0.0028011 k( 327) = ( 0.5000000 0.2182358 0.3413901), wk = 0.0028011 k( 328) = ( 0.5000000 0.2182358 0.3200532), wk = 0.0028011 k( 329) = ( 0.5000000 0.2182358 0.2987164), wk = 0.0028011 k( 330) = ( 0.5000000 0.2182358 0.2773795), wk = 0.0028011 k( 331) = ( 0.5000000 0.2182358 0.2560426), wk = 0.0028011 k( 332) = ( 0.5000000 0.2182358 0.2347057), wk = 0.0028011 k( 333) = ( 0.5000000 0.2182358 0.2133688), wk = 0.0028011 k( 334) = ( 0.5000000 0.2182358 0.1920319), wk = 0.0028011 k( 335) = ( 0.5000000 0.2182358 0.1706951), wk = 0.0028011 k( 336) = ( 0.5000000 0.2182358 0.1493582), wk = 0.0028011 k( 337) = ( 0.5000000 0.2182358 0.1280213), wk = 0.0028011 k( 338) = ( 0.5000000 0.2182358 0.1066844), wk = 0.0028011 k( 339) = ( 0.5000000 0.2182358 0.0853475), wk = 0.0028011 k( 340) = ( 0.5000000 0.2182358 0.0640107), wk = 0.0028011 k( 341) = ( 0.5000000 0.2182358 0.0426738), wk = 0.0028011 k( 342) = ( 0.5000000 0.2182358 0.0213369), wk = 0.0028011 k( 343) = ( 0.5000000 0.2182358 -0.0000000), wk = 0.0028011 k( 344) = ( 0.0000000 0.0000000 1.2499137), wk = 0.0028011 k( 345) = ( 0.0192308 0.0083937 1.2499137), wk = 0.0028011 k( 346) = ( 0.0384615 0.0167874 1.2499137), wk = 0.0028011 k( 347) = ( 0.0576923 0.0251811 1.2499137), wk = 0.0028011 k( 348) = ( 0.0769231 0.0335747 1.2499137), wk = 0.0028011 k( 349) = ( 0.0961538 0.0419684 1.2499137), wk = 0.0028011 k( 350) = ( 0.1153846 0.0503621 1.2499137), wk = 0.0028011 k( 351) = ( 0.1346154 0.0587558 1.2499137), wk = 0.0028011 k( 352) = ( 0.1538461 0.0671495 1.2499137), wk = 0.0028011 k( 353) = ( 0.1730769 0.0755432 1.2499137), wk = 0.0028011 k( 354) = ( 0.1923077 0.0839369 1.2499137), wk = 0.0028011 k( 355) = ( 0.2115385 0.0923305 1.2499137), wk = 0.0028011 k( 356) = ( 0.2307692 0.1007242 1.2499137), wk = 0.0028011 k( 357) = ( 0.2500000 0.1091179 1.2499137), wk = 0.0028011 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 2) = ( 0.0000000 0.0000000 0.0086207), wk = 0.0028011 k( 3) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0028011 k( 4) = ( 0.0000000 0.0000000 0.0258621), wk = 0.0028011 k( 5) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0028011 k( 6) = ( 0.0000000 0.0000000 0.0431035), wk = 0.0028011 k( 7) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0028011 k( 8) = ( 0.0000000 0.0000000 0.0603448), wk = 0.0028011 k( 9) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0028011 k( 10) = ( 0.0000000 0.0000000 0.0775862), wk = 0.0028011 k( 11) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0028011 k( 12) = ( 0.0000000 0.0000000 0.0948276), wk = 0.0028011 k( 13) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0028011 k( 14) = ( 0.0000000 0.0000000 0.1120690), wk = 0.0028011 k( 15) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0028011 k( 16) = ( 0.0000000 0.0000000 0.1293103), wk = 0.0028011 k( 17) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0028011 k( 18) = ( 0.0000000 0.0000000 0.1465517), wk = 0.0028011 k( 19) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0028011 k( 20) = ( 0.0000000 0.0000000 0.1637931), wk = 0.0028011 k( 21) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0028011 k( 22) = ( 0.0000000 0.0000000 0.1810345), wk = 0.0028011 k( 23) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0028011 k( 24) = ( 0.0000000 0.0000000 0.1982759), wk = 0.0028011 k( 25) = ( 0.0000000 0.0000000 0.2068966), wk = 0.0028011 k( 26) = ( 0.0000000 0.0000000 0.2155172), wk = 0.0028011 k( 27) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0028011 k( 28) = ( 0.0000000 0.0000000 0.2327586), wk = 0.0028011 k( 29) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0028011 k( 30) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028011 k( 31) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0028011 k( 32) = ( 0.0000000 0.0000000 0.2672414), wk = 0.0028011 k( 33) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0028011 k( 34) = ( 0.0000000 0.0000000 0.2844828), wk = 0.0028011 k( 35) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0028011 k( 36) = ( 0.0000000 0.0000000 0.3017241), wk = 0.0028011 k( 37) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0028011 k( 38) = ( 0.0000000 0.0000000 0.3189655), wk = 0.0028011 k( 39) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0028011 k( 40) = ( 0.0000000 0.0000000 0.3362069), wk = 0.0028011 k( 41) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0028011 k( 42) = ( 0.0000000 0.0000000 0.3534483), wk = 0.0028011 k( 43) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0028011 k( 44) = ( 0.0000000 0.0000000 0.3706897), wk = 0.0028011 k( 45) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0028011 k( 46) = ( 0.0000000 0.0000000 0.3879310), wk = 0.0028011 k( 47) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0028011 k( 48) = ( 0.0000000 0.0000000 0.4051724), wk = 0.0028011 k( 49) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0028011 k( 50) = ( 0.0000000 0.0000000 0.4224138), wk = 0.0028011 k( 51) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0028011 k( 52) = ( 0.0000000 0.0000000 0.4396552), wk = 0.0028011 k( 53) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0028011 k( 54) = ( 0.0000000 0.0000000 0.4568965), wk = 0.0028011 k( 55) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0028011 k( 56) = ( 0.0000000 0.0000000 0.4741379), wk = 0.0028011 k( 57) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0028011 k( 58) = ( 0.0000000 0.0000000 0.4913793), wk = 0.0028011 k( 59) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028011 k( 60) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028011 k( 61) = ( -0.0079378 0.0079378 0.5000000), wk = 0.0028011 k( 62) = ( -0.0158756 0.0158756 0.5000000), wk = 0.0028011 k( 63) = ( -0.0238134 0.0238134 0.5000000), wk = 0.0028011 k( 64) = ( -0.0317513 0.0317513 0.5000000), wk = 0.0028011 k( 65) = ( -0.0396891 0.0396891 0.5000000), wk = 0.0028011 k( 66) = ( -0.0476269 0.0476269 0.5000000), wk = 0.0028011 k( 67) = ( -0.0476269 0.0476269 0.5000000), wk = 0.0028011 k( 68) = ( -0.0535791 0.0535792 0.4940477), wk = 0.0028011 k( 69) = ( -0.0595314 0.0595314 0.4880954), wk = 0.0028011 k( 70) = ( -0.0654837 0.0654837 0.4821432), wk = 0.0028011 k( 71) = ( -0.0714360 0.0714360 0.4761909), wk = 0.0028011 k( 72) = ( -0.0773883 0.0773883 0.4702386), wk = 0.0028011 k( 73) = ( -0.0833405 0.0833405 0.4642863), wk = 0.0028011 k( 74) = ( -0.0892928 0.0892928 0.4583340), wk = 0.0028011 k( 75) = ( -0.0952451 0.0952451 0.4523818), wk = 0.0028011 k( 76) = ( -0.1011974 0.1011974 0.4464295), wk = 0.0028011 k( 77) = ( -0.1071496 0.1071497 0.4404772), wk = 0.0028011 k( 78) = ( -0.1131019 0.1131019 0.4345249), wk = 0.0028011 k( 79) = ( -0.1190542 0.1190542 0.4285727), wk = 0.0028011 k( 80) = ( -0.1250065 0.1250065 0.4226204), wk = 0.0028011 k( 81) = ( -0.1309588 0.1309588 0.4166681), wk = 0.0028011 k( 82) = ( -0.1369110 0.1369110 0.4107158), wk = 0.0028011 k( 83) = ( -0.1428633 0.1428633 0.4047636), wk = 0.0028011 k( 84) = ( -0.1488156 0.1488156 0.3988113), wk = 0.0028011 k( 85) = ( -0.1547679 0.1547679 0.3928590), wk = 0.0028011 k( 86) = ( -0.1607202 0.1607202 0.3869067), wk = 0.0028011 k( 87) = ( -0.1666724 0.1666724 0.3809544), wk = 0.0028011 k( 88) = ( -0.1726247 0.1726247 0.3750022), wk = 0.0028011 k( 89) = ( -0.1785770 0.1785770 0.3690499), wk = 0.0028011 k( 90) = ( -0.1845293 0.1845293 0.3630976), wk = 0.0028011 k( 91) = ( -0.1904815 0.1904815 0.3571453), wk = 0.0028011 k( 92) = ( -0.1964338 0.1964338 0.3511930), wk = 0.0028011 k( 93) = ( -0.2023861 0.2023861 0.3452408), wk = 0.0028011 k( 94) = ( -0.2083384 0.2083384 0.3392885), wk = 0.0028011 k( 95) = ( -0.2142907 0.2142907 0.3333362), wk = 0.0028011 k( 96) = ( -0.2202429 0.2202429 0.3273839), wk = 0.0028011 k( 97) = ( -0.2261952 0.2261952 0.3214317), wk = 0.0028011 k( 98) = ( -0.2321475 0.2321475 0.3154794), wk = 0.0028011 k( 99) = ( -0.2380998 0.2380998 0.3095271), wk = 0.0028011 k( 100) = ( -0.2440520 0.2440521 0.3035748), wk = 0.0028011 k( 101) = ( -0.2500043 0.2500043 0.2976225), wk = 0.0028011 k( 102) = ( -0.2559566 0.2559566 0.2916703), wk = 0.0028011 k( 103) = ( -0.2619089 0.2619089 0.2857180), wk = 0.0028011 k( 104) = ( -0.2678612 0.2678612 0.2797657), wk = 0.0028011 k( 105) = ( -0.2738134 0.2738134 0.2738134), wk = 0.0028011 k( 106) = ( -0.2738134 0.2738134 0.2738134), wk = 0.0028011 k( 107) = ( -0.2677287 0.2677287 0.2677287), wk = 0.0028011 k( 108) = ( -0.2616440 0.2616440 0.2616440), wk = 0.0028011 k( 109) = ( -0.2555592 0.2555592 0.2555592), wk = 0.0028011 k( 110) = ( -0.2494745 0.2494745 0.2494745), wk = 0.0028011 k( 111) = ( -0.2433897 0.2433897 0.2433897), wk = 0.0028011 k( 112) = ( -0.2373050 0.2373050 0.2373050), wk = 0.0028011 k( 113) = ( -0.2312202 0.2312202 0.2312202), wk = 0.0028011 k( 114) = ( -0.2251355 0.2251355 0.2251355), wk = 0.0028011 k( 115) = ( -0.2190507 0.2190507 0.2190507), wk = 0.0028011 k( 116) = ( -0.2129660 0.2129660 0.2129660), wk = 0.0028011 k( 117) = ( -0.2068813 0.2068813 0.2068813), wk = 0.0028011 k( 118) = ( -0.2007965 0.2007965 0.2007965), wk = 0.0028011 k( 119) = ( -0.1947118 0.1947118 0.1947118), wk = 0.0028011 k( 120) = ( -0.1886270 0.1886270 0.1886270), wk = 0.0028011 k( 121) = ( -0.1825423 0.1825423 0.1825423), wk = 0.0028011 k( 122) = ( -0.1764575 0.1764575 0.1764575), wk = 0.0028011 k( 123) = ( -0.1703728 0.1703728 0.1703728), wk = 0.0028011 k( 124) = ( -0.1642881 0.1642881 0.1642881), wk = 0.0028011 k( 125) = ( -0.1582033 0.1582033 0.1582033), wk = 0.0028011 k( 126) = ( -0.1521186 0.1521186 0.1521186), wk = 0.0028011 k( 127) = ( -0.1460338 0.1460338 0.1460338), wk = 0.0028011 k( 128) = ( -0.1399491 0.1399491 0.1399491), wk = 0.0028011 k( 129) = ( -0.1338643 0.1338644 0.1338643), wk = 0.0028011 k( 130) = ( -0.1277796 0.1277796 0.1277796), wk = 0.0028011 k( 131) = ( -0.1216949 0.1216949 0.1216949), wk = 0.0028011 k( 132) = ( -0.1156101 0.1156101 0.1156101), wk = 0.0028011 k( 133) = ( -0.1095254 0.1095254 0.1095254), wk = 0.0028011 k( 134) = ( -0.1034406 0.1034406 0.1034406), wk = 0.0028011 k( 135) = ( -0.0973559 0.0973559 0.0973559), wk = 0.0028011 k( 136) = ( -0.0912711 0.0912712 0.0912711), wk = 0.0028011 k( 137) = ( -0.0851864 0.0851864 0.0851864), wk = 0.0028011 k( 138) = ( -0.0791017 0.0791017 0.0791017), wk = 0.0028011 k( 139) = ( -0.0730169 0.0730169 0.0730169), wk = 0.0028011 k( 140) = ( -0.0669322 0.0669322 0.0669322), wk = 0.0028011 k( 141) = ( -0.0608474 0.0608474 0.0608474), wk = 0.0028011 k( 142) = ( -0.0547627 0.0547627 0.0547627), wk = 0.0028011 k( 143) = ( -0.0486779 0.0486779 0.0486779), wk = 0.0028011 k( 144) = ( -0.0425932 0.0425932 0.0425932), wk = 0.0028011 k( 145) = ( -0.0365085 0.0365085 0.0365085), wk = 0.0028011 k( 146) = ( -0.0304237 0.0304237 0.0304237), wk = 0.0028011 k( 147) = ( -0.0243390 0.0243390 0.0243390), wk = 0.0028011 k( 148) = ( -0.0182542 0.0182542 0.0182542), wk = 0.0028011 k( 149) = ( -0.0121695 0.0121695 0.0121695), wk = 0.0028011 k( 150) = ( -0.0060847 0.0060847 0.0060847), wk = 0.0028011 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 153) = ( 0.0192308 0.0192308 -0.0192308), wk = 0.0028011 k( 154) = ( 0.0384615 0.0384615 -0.0384615), wk = 0.0028011 k( 155) = ( 0.0576923 0.0576923 -0.0576923), wk = 0.0028011 k( 156) = ( 0.0769231 0.0769231 -0.0769231), wk = 0.0028011 k( 157) = ( 0.0961538 0.0961538 -0.0961538), wk = 0.0028011 k( 158) = ( 0.1153846 0.1153846 -0.1153846), wk = 0.0028011 k( 159) = ( 0.1346154 0.1346154 -0.1346154), wk = 0.0028011 k( 160) = ( 0.1538461 0.1538461 -0.1538462), wk = 0.0028011 k( 161) = ( 0.1730769 0.1730769 -0.1730769), wk = 0.0028011 k( 162) = ( 0.1923077 0.1923077 -0.1923077), wk = 0.0028011 k( 163) = ( 0.2115385 0.2115385 -0.2115385), wk = 0.0028011 k( 164) = ( 0.2307692 0.2307692 -0.2307692), wk = 0.0028011 k( 165) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0028011 k( 166) = ( 0.2692308 0.2692308 -0.2692308), wk = 0.0028011 k( 167) = ( 0.2884615 0.2884615 -0.2884615), wk = 0.0028011 k( 168) = ( 0.3076923 0.3076923 -0.3076923), wk = 0.0028011 k( 169) = ( 0.3269231 0.3269231 -0.3269231), wk = 0.0028011 k( 170) = ( 0.3461538 0.3461538 -0.3461538), wk = 0.0028011 k( 171) = ( 0.3653846 0.3653846 -0.3653846), wk = 0.0028011 k( 172) = ( 0.3846154 0.3846154 -0.3846154), wk = 0.0028011 k( 173) = ( 0.4038462 0.4038461 -0.4038462), wk = 0.0028011 k( 174) = ( 0.4230769 0.4230769 -0.4230769), wk = 0.0028011 k( 175) = ( 0.4423077 0.4423077 -0.4423077), wk = 0.0028011 k( 176) = ( 0.4615385 0.4615385 -0.4615385), wk = 0.0028011 k( 177) = ( 0.4807692 0.4807692 -0.4807692), wk = 0.0028011 k( 178) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028011 k( 179) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028011 k( 180) = ( 0.4940477 0.5059523 -0.4940477), wk = 0.0028011 k( 181) = ( 0.4880954 0.5119046 -0.4880954), wk = 0.0028011 k( 182) = ( 0.4821432 0.5178568 -0.4821432), wk = 0.0028011 k( 183) = ( 0.4761909 0.5238091 -0.4761909), wk = 0.0028011 k( 184) = ( 0.4702386 0.5297614 -0.4702386), wk = 0.0028011 k( 185) = ( 0.4642863 0.5357137 -0.4642863), wk = 0.0028011 k( 186) = ( 0.4583340 0.5416659 -0.4583340), wk = 0.0028011 k( 187) = ( 0.4523818 0.5476182 -0.4523818), wk = 0.0028011 k( 188) = ( 0.4464295 0.5535705 -0.4464295), wk = 0.0028011 k( 189) = ( 0.4404772 0.5595228 -0.4404772), wk = 0.0028011 k( 190) = ( 0.4345249 0.5654751 -0.4345249), wk = 0.0028011 k( 191) = ( 0.4285727 0.5714273 -0.4285727), wk = 0.0028011 k( 192) = ( 0.4226204 0.5773796 -0.4226204), wk = 0.0028011 k( 193) = ( 0.4166681 0.5833319 -0.4166681), wk = 0.0028011 k( 194) = ( 0.4107158 0.5892842 -0.4107158), wk = 0.0028011 k( 195) = ( 0.4047636 0.5952365 -0.4047635), wk = 0.0028011 k( 196) = ( 0.3988113 0.6011887 -0.3988113), wk = 0.0028011 k( 197) = ( 0.3928590 0.6071410 -0.3928590), wk = 0.0028011 k( 198) = ( 0.3869067 0.6130933 -0.3869067), wk = 0.0028011 k( 199) = ( 0.3809544 0.6190456 -0.3809544), wk = 0.0028011 k( 200) = ( 0.3750022 0.6249978 -0.3750022), wk = 0.0028011 k( 201) = ( 0.3690499 0.6309501 -0.3690499), wk = 0.0028011 k( 202) = ( 0.3630976 0.6369024 -0.3630976), wk = 0.0028011 k( 203) = ( 0.3571453 0.6428547 -0.3571453), wk = 0.0028011 k( 204) = ( 0.3511931 0.6488069 -0.3511931), wk = 0.0028011 k( 205) = ( 0.3452408 0.6547592 -0.3452408), wk = 0.0028011 k( 206) = ( 0.3392885 0.6607115 -0.3392885), wk = 0.0028011 k( 207) = ( 0.3333362 0.6666638 -0.3333362), wk = 0.0028011 k( 208) = ( 0.3273839 0.6726161 -0.3273839), wk = 0.0028011 k( 209) = ( 0.3214317 0.6785683 -0.3214317), wk = 0.0028011 k( 210) = ( 0.3154794 0.6845206 -0.3154794), wk = 0.0028011 k( 211) = ( 0.3095271 0.6904729 -0.3095271), wk = 0.0028011 k( 212) = ( 0.3035748 0.6964252 -0.3035748), wk = 0.0028011 k( 213) = ( 0.2976225 0.7023774 -0.2976225), wk = 0.0028011 k( 214) = ( 0.2916703 0.7083297 -0.2916703), wk = 0.0028011 k( 215) = ( 0.2857180 0.7142820 -0.2857180), wk = 0.0028011 k( 216) = ( 0.2797657 0.7202343 -0.2797657), wk = 0.0028011 k( 217) = ( 0.2738134 0.7261866 -0.2738134), wk = 0.0028011 k( 218) = ( 0.2738134 0.7261866 -0.2738134), wk = 0.0028011 k( 219) = ( 0.2542553 0.7100304 -0.2542553), wk = 0.0028011 k( 220) = ( 0.2346972 0.6938742 -0.2346972), wk = 0.0028011 k( 221) = ( 0.2151391 0.6777180 -0.2151391), wk = 0.0028011 k( 222) = ( 0.1955810 0.6615618 -0.1955810), wk = 0.0028011 k( 223) = ( 0.1760229 0.6454057 -0.1760229), wk = 0.0028011 k( 224) = ( 0.1564648 0.6292495 -0.1564648), wk = 0.0028011 k( 225) = ( 0.1369067 0.6130933 -0.1369067), wk = 0.0028011 k( 226) = ( 0.1173486 0.5969371 -0.1173486), wk = 0.0028011 k( 227) = ( 0.0977905 0.5807809 -0.0977905), wk = 0.0028011 k( 228) = ( 0.0782324 0.5646247 -0.0782324), wk = 0.0028011 k( 229) = ( 0.0586743 0.5484686 -0.0586743), wk = 0.0028011 k( 230) = ( 0.0391162 0.5323124 -0.0391162), wk = 0.0028011 k( 231) = ( 0.0195581 0.5161562 -0.0195581), wk = 0.0028011 k( 232) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028011 k( 233) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028011 k( 234) = ( 0.0060976 0.4939024 0.0060976), wk = 0.0028011 k( 235) = ( 0.0121951 0.4878049 0.0121951), wk = 0.0028011 k( 236) = ( 0.0182927 0.4817073 0.0182927), wk = 0.0028011 k( 237) = ( 0.0243902 0.4756098 0.0243902), wk = 0.0028011 k( 238) = ( 0.0304878 0.4695122 0.0304878), wk = 0.0028011 k( 239) = ( 0.0365854 0.4634146 0.0365854), wk = 0.0028011 k( 240) = ( 0.0426829 0.4573171 0.0426829), wk = 0.0028011 k( 241) = ( 0.0487805 0.4512195 0.0487805), wk = 0.0028011 k( 242) = ( 0.0548780 0.4451220 0.0548781), wk = 0.0028011 k( 243) = ( 0.0609756 0.4390244 0.0609756), wk = 0.0028011 k( 244) = ( 0.0670732 0.4329268 0.0670732), wk = 0.0028011 k( 245) = ( 0.0731707 0.4268293 0.0731707), wk = 0.0028011 k( 246) = ( 0.0792683 0.4207317 0.0792683), wk = 0.0028011 k( 247) = ( 0.0853658 0.4146341 0.0853659), wk = 0.0028011 k( 248) = ( 0.0914634 0.4085366 0.0914634), wk = 0.0028011 k( 249) = ( 0.0975610 0.4024390 0.0975610), wk = 0.0028011 k( 250) = ( 0.1036585 0.3963415 0.1036585), wk = 0.0028011 k( 251) = ( 0.1097561 0.3902439 0.1097561), wk = 0.0028011 k( 252) = ( 0.1158537 0.3841463 0.1158537), wk = 0.0028011 k( 253) = ( 0.1219512 0.3780488 0.1219512), wk = 0.0028011 k( 254) = ( 0.1280488 0.3719512 0.1280488), wk = 0.0028011 k( 255) = ( 0.1341463 0.3658537 0.1341463), wk = 0.0028011 k( 256) = ( 0.1402439 0.3597561 0.1402439), wk = 0.0028011 k( 257) = ( 0.1463415 0.3536585 0.1463415), wk = 0.0028011 k( 258) = ( 0.1524390 0.3475610 0.1524390), wk = 0.0028011 k( 259) = ( 0.1585366 0.3414634 0.1585366), wk = 0.0028011 k( 260) = ( 0.1646342 0.3353659 0.1646342), wk = 0.0028011 k( 261) = ( 0.1707317 0.3292683 0.1707317), wk = 0.0028011 k( 262) = ( 0.1768293 0.3231707 0.1768293), wk = 0.0028011 k( 263) = ( 0.1829268 0.3170732 0.1829268), wk = 0.0028011 k( 264) = ( 0.1890244 0.3109756 0.1890244), wk = 0.0028011 k( 265) = ( 0.1951219 0.3048781 0.1951219), wk = 0.0028011 k( 266) = ( 0.2012195 0.2987805 0.2012195), wk = 0.0028011 k( 267) = ( 0.2073171 0.2926829 0.2073171), wk = 0.0028011 k( 268) = ( 0.2134146 0.2865854 0.2134146), wk = 0.0028011 k( 269) = ( 0.2195122 0.2804878 0.2195122), wk = 0.0028011 k( 270) = ( 0.2256098 0.2743902 0.2256098), wk = 0.0028011 k( 271) = ( 0.2317073 0.2682927 0.2317073), wk = 0.0028011 k( 272) = ( 0.2378049 0.2621951 0.2378049), wk = 0.0028011 k( 273) = ( 0.2439024 0.2560976 0.2439024), wk = 0.0028011 k( 274) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028011 k( 275) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028011 k( 276) = ( 0.2678571 0.2678571 0.2287409), wk = 0.0028011 k( 277) = ( 0.2857143 0.2857143 0.2074819), wk = 0.0028011 k( 278) = ( 0.3035714 0.3035714 0.1862228), wk = 0.0028011 k( 279) = ( 0.3214286 0.3214286 0.1649638), wk = 0.0028011 k( 280) = ( 0.3392857 0.3392857 0.1437047), wk = 0.0028011 k( 281) = ( 0.3571429 0.3571429 0.1224456), wk = 0.0028011 k( 282) = ( 0.3750000 0.3750000 0.1011866), wk = 0.0028011 k( 283) = ( 0.3928571 0.3928571 0.0799275), wk = 0.0028011 k( 284) = ( 0.4107143 0.4107143 0.0586684), wk = 0.0028011 k( 285) = ( 0.4285714 0.4285714 0.0374094), wk = 0.0028011 k( 286) = ( 0.4464286 0.4464286 0.0161503), wk = 0.0028011 k( 287) = ( 0.4642857 0.4642857 -0.0051088), wk = 0.0028011 k( 288) = ( 0.4821429 0.4821429 -0.0263678), wk = 0.0028011 k( 289) = ( 0.5000000 0.5000000 -0.0476269), wk = 0.0028011 k( 290) = ( 0.5000000 0.5000000 -0.0476269), wk = 0.0028011 k( 291) = ( 0.5000000 0.5000000 -0.0561622), wk = 0.0028011 k( 292) = ( 0.5000000 0.5000000 -0.0646976), wk = 0.0028011 k( 293) = ( 0.5000000 0.5000000 -0.0732329), wk = 0.0028011 k( 294) = ( 0.5000000 0.5000000 -0.0817682), wk = 0.0028011 k( 295) = ( 0.5000000 0.5000000 -0.0903036), wk = 0.0028011 k( 296) = ( 0.5000000 0.5000000 -0.0988389), wk = 0.0028011 k( 297) = ( 0.5000000 0.5000000 -0.1073743), wk = 0.0028011 k( 298) = ( 0.5000000 0.5000000 -0.1159096), wk = 0.0028011 k( 299) = ( 0.5000000 0.5000000 -0.1244450), wk = 0.0028011 k( 300) = ( 0.5000000 0.5000000 -0.1329803), wk = 0.0028011 k( 301) = ( 0.5000000 0.5000000 -0.1415156), wk = 0.0028011 k( 302) = ( 0.5000000 0.5000000 -0.1500510), wk = 0.0028011 k( 303) = ( 0.5000000 0.5000000 -0.1585863), wk = 0.0028011 k( 304) = ( 0.5000000 0.5000000 -0.1671217), wk = 0.0028011 k( 305) = ( 0.5000000 0.5000000 -0.1756570), wk = 0.0028011 k( 306) = ( 0.5000000 0.5000000 -0.1841923), wk = 0.0028011 k( 307) = ( 0.5000000 0.5000000 -0.1927277), wk = 0.0028011 k( 308) = ( 0.5000000 0.5000000 -0.2012630), wk = 0.0028011 k( 309) = ( 0.5000000 0.5000000 -0.2097984), wk = 0.0028011 k( 310) = ( 0.5000000 0.5000000 -0.2183337), wk = 0.0028011 k( 311) = ( 0.5000000 0.5000000 -0.2268690), wk = 0.0028011 k( 312) = ( 0.5000000 0.5000000 -0.2354044), wk = 0.0028011 k( 313) = ( 0.5000000 0.5000000 -0.2439397), wk = 0.0028011 k( 314) = ( 0.5000000 0.5000000 -0.2524751), wk = 0.0028011 k( 315) = ( 0.5000000 0.5000000 -0.2610104), wk = 0.0028011 k( 316) = ( 0.5000000 0.5000000 -0.2695458), wk = 0.0028011 k( 317) = ( 0.5000000 0.5000000 -0.2780811), wk = 0.0028011 k( 318) = ( 0.5000000 0.5000000 -0.2866165), wk = 0.0028011 k( 319) = ( 0.5000000 0.5000000 -0.2951518), wk = 0.0028011 k( 320) = ( 0.5000000 0.5000000 -0.3036871), wk = 0.0028011 k( 321) = ( 0.5000000 0.5000000 -0.3122225), wk = 0.0028011 k( 322) = ( 0.5000000 0.5000000 -0.3207578), wk = 0.0028011 k( 323) = ( 0.5000000 0.5000000 -0.3292932), wk = 0.0028011 k( 324) = ( 0.5000000 0.5000000 -0.3378285), wk = 0.0028011 k( 325) = ( 0.5000000 0.5000000 -0.3463638), wk = 0.0028011 k( 326) = ( 0.5000000 0.5000000 -0.3548992), wk = 0.0028011 k( 327) = ( 0.5000000 0.5000000 -0.3634345), wk = 0.0028011 k( 328) = ( 0.5000000 0.5000000 -0.3719699), wk = 0.0028011 k( 329) = ( 0.5000000 0.5000000 -0.3805052), wk = 0.0028011 k( 330) = ( 0.5000000 0.5000000 -0.3890406), wk = 0.0028011 k( 331) = ( 0.5000000 0.5000000 -0.3975759), wk = 0.0028011 k( 332) = ( 0.5000000 0.5000000 -0.4061112), wk = 0.0028011 k( 333) = ( 0.5000000 0.5000000 -0.4146466), wk = 0.0028011 k( 334) = ( 0.5000000 0.5000000 -0.4231819), wk = 0.0028011 k( 335) = ( 0.5000000 0.5000000 -0.4317173), wk = 0.0028011 k( 336) = ( 0.5000000 0.5000000 -0.4402526), wk = 0.0028011 k( 337) = ( 0.5000000 0.5000000 -0.4487879), wk = 0.0028011 k( 338) = ( 0.5000000 0.5000000 -0.4573233), wk = 0.0028011 k( 339) = ( 0.5000000 0.5000000 -0.4658586), wk = 0.0028011 k( 340) = ( 0.5000000 0.5000000 -0.4743940), wk = 0.0028011 k( 341) = ( 0.5000000 0.5000000 -0.4829293), wk = 0.0028011 k( 342) = ( 0.5000000 0.5000000 -0.4914647), wk = 0.0028011 k( 343) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028011 k( 344) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028011 k( 345) = ( 0.0192308 0.0192308 0.4807692), wk = 0.0028011 k( 346) = ( 0.0384615 0.0384615 0.4615385), wk = 0.0028011 k( 347) = ( 0.0576923 0.0576923 0.4423077), wk = 0.0028011 k( 348) = ( 0.0769231 0.0769231 0.4230769), wk = 0.0028011 k( 349) = ( 0.0961538 0.0961538 0.4038462), wk = 0.0028011 k( 350) = ( 0.1153846 0.1153846 0.3846154), wk = 0.0028011 k( 351) = ( 0.1346154 0.1346154 0.3653846), wk = 0.0028011 k( 352) = ( 0.1538461 0.1538461 0.3461538), wk = 0.0028011 k( 353) = ( 0.1730769 0.1730769 0.3269231), wk = 0.0028011 k( 354) = ( 0.1923077 0.1923077 0.3076923), wk = 0.0028011 k( 355) = ( 0.2115385 0.2115385 0.2884615), wk = 0.0028011 k( 356) = ( 0.2307692 0.2307692 0.2692308), wk = 0.0028011 k( 357) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028011 Dense grid: 38409 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 26075 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 190, 44) NL pseudopotentials 0.25 Mb ( 95, 171) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1068) G-vector shells 0.00 Mb ( 513) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.51 Mb ( 190, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.23 Mb ( 171, 2, 44) The potential is recalculated from file : ./BaxFePx2.save/charge-density.dat Starting wfc are 62 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 5.1 secs Computing kpt #: 3 total cpu time spent up to now is 6.1 secs Computing kpt #: 4 total cpu time spent up to now is 6.9 secs Computing kpt #: 5 total cpu time spent up to now is 7.6 secs Computing kpt #: 6 total cpu time spent up to now is 8.2 secs Computing kpt #: 7 total cpu time spent up to now is 8.8 secs Computing kpt #: 8 total cpu time spent up to now is 9.4 secs Computing kpt #: 9 total cpu time spent up to now is 10.1 secs Computing kpt #: 10 total cpu time spent up to now is 10.7 secs Computing kpt #: 11 total cpu time spent up to now is 11.3 secs Computing kpt #: 12 total cpu time spent up to now is 11.9 secs Computing kpt #: 13 total cpu time spent up to now is 12.4 secs Computing kpt #: 14 total cpu time spent up to now is 13.0 secs Computing kpt #: 15 total cpu time spent up to now is 13.6 secs Computing kpt #: 16 total cpu time spent up to now is 14.1 secs Computing kpt #: 17 total cpu time spent up to now is 14.7 secs Computing kpt #: 18 total cpu time spent up to now is 15.2 secs Computing kpt #: 19 total cpu time spent up to now is 15.8 secs Computing kpt #: 20 total cpu time spent up to now is 16.3 secs Computing kpt #: 21 total cpu time spent up to now is 16.9 secs Computing kpt #: 22 total cpu time spent up to now is 17.4 secs Computing kpt #: 23 total cpu time spent up to now is 18.0 secs Computing kpt #: 24 total cpu time spent up to now is 18.5 secs Computing kpt #: 25 total cpu time spent up to now is 19.0 secs Computing kpt #: 26 total cpu time spent up to now is 19.6 secs Computing kpt #: 27 total cpu time spent up to now is 20.1 secs Computing kpt #: 28 total cpu time spent up to now is 20.7 secs Computing kpt #: 29 total cpu time spent up to now is 21.2 secs Computing kpt #: 30 total cpu time spent up to now is 21.7 secs Computing kpt #: 31 total cpu time spent up to now is 22.3 secs Computing kpt #: 32 total cpu time spent up to now is 22.8 secs Computing kpt #: 33 total cpu time spent up to now is 23.4 secs Computing kpt #: 34 total cpu time spent up to now is 23.9 secs Computing kpt #: 35 total cpu time spent up to now is 24.4 secs Computing kpt #: 36 total cpu time spent up to now is 25.0 secs Computing kpt #: 37 total cpu time spent up to now is 25.5 secs Computing kpt #: 38 total cpu time spent up to now is 26.1 secs Computing kpt #: 39 total cpu time spent up to now is 26.6 secs Computing kpt #: 40 total cpu time spent up to now is 27.2 secs Computing kpt #: 41 total cpu time spent up to now is 27.7 secs Computing kpt #: 42 total cpu time spent up to now is 28.3 secs Computing kpt #: 43 total cpu time spent up to now is 28.8 secs Computing kpt #: 44 total cpu time spent up to now is 29.4 secs Computing kpt #: 45 total cpu time spent up to now is 29.9 secs Computing kpt #: 46 total cpu time spent up to now is 30.4 secs Computing kpt #: 47 total cpu time spent up to now is 30.9 secs Computing kpt #: 48 total cpu time spent up to now is 31.5 secs Computing kpt #: 49 total cpu time spent up to now is 32.0 secs Computing kpt #: 50 total cpu time spent up to now is 32.5 secs Computing kpt #: 51 total cpu time spent up to now is 33.0 secs Computing kpt #: 52 total cpu time spent up to now is 33.6 secs Computing kpt #: 53 total cpu time spent up to now is 34.1 secs Computing kpt #: 54 total cpu time spent up to now is 34.5 secs Computing kpt #: 55 total cpu time spent up to now is 35.0 secs Computing kpt #: 56 total cpu time spent up to now is 35.5 secs Computing kpt #: 57 total cpu time spent up to now is 36.0 secs Computing kpt #: 58 total cpu time spent up to now is 36.5 secs Computing kpt #: 59 total cpu time spent up to now is 37.0 secs Computing kpt #: 60 total cpu time spent up to now is 37.5 secs Computing kpt #: 61 total cpu time spent up to now is 37.9 secs Computing kpt #: 62 total cpu time spent up to now is 38.4 secs Computing kpt #: 63 total cpu time spent up to now is 38.9 secs Computing kpt #: 64 total cpu time spent up to now is 39.4 secs Computing kpt #: 65 total cpu time spent up to now is 39.9 secs Computing kpt #: 66 total cpu time spent up to now is 40.4 secs Computing kpt #: 67 total cpu time spent up to now is 40.9 secs Computing kpt #: 68 total cpu time spent up to now is 41.4 secs Computing kpt #: 69 total cpu time spent up to now is 41.9 secs Computing kpt #: 70 total cpu time spent up to now is 42.4 secs Computing kpt #: 71 total cpu time spent up to now is 42.9 secs Computing kpt #: 72 total cpu time spent up to now is 43.4 secs Computing kpt #: 73 total cpu time spent up to now is 43.9 secs Computing kpt #: 74 total cpu time spent up to now is 44.4 secs Computing kpt #: 75 total cpu time spent up to now is 45.0 secs Computing kpt #: 76 total cpu time spent up to now is 45.5 secs Computing kpt #: 77 total cpu time spent up to now is 46.0 secs Computing kpt #: 78 total cpu time spent up to now is 46.5 secs Computing kpt #: 79 total cpu time spent up to now is 47.1 secs Computing kpt #: 80 total cpu time spent up to now is 47.6 secs Computing kpt #: 81 total cpu time spent up to now is 48.1 secs Computing kpt #: 82 total cpu time spent up to now is 48.7 secs Computing kpt #: 83 total cpu time spent up to now is 49.2 secs Computing kpt #: 84 total cpu time spent up to now is 49.8 secs Computing kpt #: 85 total cpu time spent up to now is 50.4 secs Computing kpt #: 86 total cpu time spent up to now is 50.9 secs Computing kpt #: 87 total cpu time spent up to now is 51.5 secs Computing kpt #: 88 total cpu time spent up to now is 52.1 secs Computing kpt #: 89 total cpu time spent up to now is 52.8 secs Computing kpt #: 90 total cpu time spent up to now is 53.5 secs Computing kpt #: 91 total cpu time spent up to now is 54.1 secs Computing kpt #: 92 total cpu time spent up to now is 54.8 secs Computing kpt #: 93 total cpu time spent up to now is 55.5 secs Computing kpt #: 94 total cpu time spent up to now is 56.2 secs Computing kpt #: 95 total cpu time spent up to now is 56.9 secs Computing kpt #: 96 total cpu time spent up to now is 57.6 secs Computing kpt #: 97 total cpu time spent up to now is 58.4 secs Computing kpt #: 98 total cpu time spent up to now is 59.1 secs Computing kpt #: 99 total cpu time spent up to now is 59.8 secs Computing kpt #: 100 total cpu time spent up to now is 60.8 secs Computing kpt #: 101 total cpu time spent up to now is 61.7 secs Computing kpt #: 102 total cpu time spent up to now is 62.6 secs Computing kpt #: 103 total cpu time spent up to now is 63.4 secs Computing kpt #: 104 total cpu time spent up to now is 64.2 secs Computing kpt #: 105 total cpu time spent up to now is 65.0 secs Computing kpt #: 106 total cpu time spent up to now is 65.8 secs Computing kpt #: 107 total cpu time spent up to now is 66.8 secs Computing kpt #: 108 total cpu time spent up to now is 67.8 secs Computing kpt #: 109 total cpu time spent up to now is 68.4 secs Computing kpt #: 110 total cpu time spent up to now is 68.9 secs Computing kpt #: 111 total cpu time spent up to now is 69.6 secs Computing kpt #: 112 total cpu time spent up to now is 70.1 secs Computing kpt #: 113 total cpu time spent up to now is 70.7 secs Computing kpt #: 114 total cpu time spent up to now is 71.2 secs Computing kpt #: 115 total cpu time spent up to now is 71.8 secs Computing kpt #: 116 total cpu time spent up to now is 72.3 secs Computing kpt #: 117 total cpu time spent up to now is 72.9 secs Computing kpt #: 118 total cpu time spent up to now is 73.4 secs Computing kpt #: 119 total cpu time spent up to now is 73.9 secs Computing kpt #: 120 total cpu time spent up to now is 74.5 secs Computing kpt #: 121 total cpu time spent up to now is 75.0 secs Computing kpt #: 122 total cpu time spent up to now is 75.5 secs Computing kpt #: 123 total cpu time spent up to now is 76.1 secs Computing kpt #: 124 total cpu time spent up to now is 76.6 secs Computing kpt #: 125 total cpu time spent up to now is 77.1 secs Computing kpt #: 126 total cpu time spent up to now is 77.7 secs Computing kpt #: 127 total cpu time spent up to now is 78.2 secs Computing kpt #: 128 total cpu time spent up to now is 78.7 secs Computing kpt #: 129 total cpu time spent up to now is 79.3 secs Computing kpt #: 130 total cpu time spent up to now is 79.8 secs Computing kpt #: 131 total cpu time spent up to now is 80.4 secs Computing kpt #: 132 total cpu time spent up to now is 81.0 secs Computing kpt #: 133 total cpu time spent up to now is 81.7 secs Computing kpt #: 134 total cpu time spent up to now is 82.4 secs Computing kpt #: 135 total cpu time spent up to now is 83.1 secs Computing kpt #: 136 total cpu time spent up to now is 83.9 secs Computing kpt #: 137 total cpu time spent up to now is 84.8 secs Computing kpt #: 138 total cpu time spent up to now is 85.8 secs Computing kpt #: 139 total cpu time spent up to now is 86.8 secs Computing kpt #: 140 total cpu time spent up to now is 87.8 secs Computing kpt #: 141 total cpu time spent up to now is 88.7 secs Computing kpt #: 142 total cpu time spent up to now is 89.7 secs Computing kpt #: 143 total cpu time spent up to now is 90.7 secs Computing kpt #: 144 total cpu time spent up to now is 91.8 secs Computing kpt #: 145 total cpu time spent up to now is 92.8 secs Computing kpt #: 146 total cpu time spent up to now is 93.8 secs Computing kpt #: 147 total cpu time spent up to now is 94.8 secs Computing kpt #: 148 total cpu time spent up to now is 95.8 secs Computing kpt #: 149 total cpu time spent up to now is 96.8 secs Computing kpt #: 150 total cpu time spent up to now is 97.8 secs Computing kpt #: 151 total cpu time spent up to now is 98.7 secs Computing kpt #: 152 total cpu time spent up to now is 99.4 secs Computing kpt #: 153 total cpu time spent up to now is 100.1 secs Computing kpt #: 154 total cpu time spent up to now is 100.8 secs Computing kpt #: 155 total cpu time spent up to now is 101.5 secs Computing kpt #: 156 total cpu time spent up to now is 102.5 secs Computing kpt #: 157 total cpu time spent up to now is 103.3 secs Computing kpt #: 158 total cpu time spent up to now is 104.4 secs Computing kpt #: 159 total cpu time spent up to now is 105.3 secs Computing kpt #: 160 total cpu time spent up to now is 106.2 secs Computing kpt #: 161 total cpu time spent up to now is 106.7 secs Computing kpt #: 162 total cpu time spent up to now is 107.4 secs Computing kpt #: 163 total cpu time spent up to now is 108.1 secs Computing kpt #: 164 total cpu time spent up to now is 108.6 secs Computing kpt #: 165 total cpu time spent up to now is 109.2 secs Computing kpt #: 166 total cpu time spent up to now is 109.8 secs Computing kpt #: 167 total cpu time spent up to now is 110.5 secs Computing kpt #: 168 total cpu time spent up to now is 111.3 secs Computing kpt #: 169 total cpu time spent up to now is 112.0 secs Computing kpt #: 170 total cpu time spent up to now is 112.9 secs Computing kpt #: 171 total cpu time spent up to now is 113.4 secs Computing kpt #: 172 total cpu time spent up to now is 114.0 secs Computing kpt #: 173 total cpu time spent up to now is 114.5 secs Computing kpt #: 174 total cpu time spent up to now is 115.2 secs Computing kpt #: 175 total cpu time spent up to now is 115.9 secs Computing kpt #: 176 total cpu time spent up to now is 116.5 secs Computing kpt #: 177 total cpu time spent up to now is 117.2 secs Computing kpt #: 178 total cpu time spent up to now is 117.9 secs Computing kpt #: 179 total cpu time spent up to now is 118.6 secs Computing kpt #: 180 total cpu time spent up to now is 119.2 secs Computing kpt #: 181 total cpu time spent up to now is 119.8 secs Computing kpt #: 182 total cpu time spent up to now is 120.4 secs Computing kpt #: 183 total cpu time spent up to now is 121.1 secs Computing kpt #: 184 total cpu time spent up to now is 121.6 secs Computing kpt #: 185 total cpu time spent up to now is 122.2 secs Computing kpt #: 186 total cpu time spent up to now is 122.8 secs Computing kpt #: 187 total cpu time spent up to now is 123.3 secs Computing kpt #: 188 total cpu time spent up to now is 124.0 secs Computing kpt #: 189 total cpu time spent up to now is 124.5 secs Computing kpt #: 190 total cpu time spent up to now is 125.1 secs Computing kpt #: 191 total cpu time spent up to now is 125.7 secs Computing kpt #: 192 total cpu time spent up to now is 126.3 secs Computing kpt #: 193 total cpu time spent up to now is 127.0 secs Computing kpt #: 194 total cpu time spent up to now is 127.5 secs Computing kpt #: 195 total cpu time spent up to now is 128.1 secs Computing kpt #: 196 total cpu time spent up to now is 128.7 secs Computing kpt #: 197 total cpu time spent up to now is 129.4 secs Computing kpt #: 198 total cpu time spent up to now is 130.0 secs Computing kpt #: 199 total cpu time spent up to now is 130.7 secs Computing kpt #: 200 total cpu time spent up to now is 131.4 secs Computing kpt #: 201 total cpu time spent up to now is 132.1 secs Computing kpt #: 202 total cpu time spent up to now is 132.7 secs Computing kpt #: 203 total cpu time spent up to now is 133.4 secs Computing kpt #: 204 total cpu time spent up to now is 134.1 secs Computing kpt #: 205 total cpu time spent up to now is 134.7 secs Computing kpt #: 206 total cpu time spent up to now is 135.4 secs Computing kpt #: 207 total cpu time spent up to now is 136.1 secs Computing kpt #: 208 total cpu time spent up to now is 136.8 secs Computing kpt #: 209 total cpu time spent up to now is 137.5 secs Computing kpt #: 210 total cpu time spent up to now is 138.1 secs Computing kpt #: 211 total cpu time spent up to now is 138.8 secs Computing kpt #: 212 total cpu time spent up to now is 139.5 secs Computing kpt #: 213 total cpu time spent up to now is 140.2 secs Computing kpt #: 214 total cpu time spent up to now is 140.9 secs Computing kpt #: 215 total cpu time spent up to now is 141.7 secs Computing kpt #: 216 total cpu time spent up to now is 142.5 secs Computing kpt #: 217 total cpu time spent up to now is 143.3 secs Computing kpt #: 218 total cpu time spent up to now is 144.1 secs Computing kpt #: 219 total cpu time spent up to now is 144.9 secs Computing kpt #: 220 total cpu time spent up to now is 145.8 secs Computing kpt #: 221 total cpu time spent up to now is 146.8 secs Computing kpt #: 222 total cpu time spent up to now is 147.7 secs Computing kpt #: 223 total cpu time spent up to now is 148.5 secs Computing kpt #: 224 total cpu time spent up to now is 149.2 secs Computing kpt #: 225 total cpu time spent up to now is 149.9 secs Computing kpt #: 226 total cpu time spent up to now is 150.5 secs Computing kpt #: 227 total cpu time spent up to now is 151.0 secs Computing kpt #: 228 total cpu time spent up to now is 151.6 secs Computing kpt #: 229 total cpu time spent up to now is 152.2 secs Computing kpt #: 230 total cpu time spent up to now is 153.8 secs Computing kpt #: 231 total cpu time spent up to now is 154.4 secs Computing kpt #: 232 total cpu time spent up to now is 154.9 secs Computing kpt #: 233 total cpu time spent up to now is 155.5 secs Computing kpt #: 234 total cpu time spent up to now is 156.1 secs Computing kpt #: 235 total cpu time spent up to now is 156.7 secs Computing kpt #: 236 total cpu time spent up to now is 157.4 secs Computing kpt #: 237 total cpu time spent up to now is 158.1 secs Computing kpt #: 238 total cpu time spent up to now is 158.8 secs Computing kpt #: 239 total cpu time spent up to now is 159.4 secs Computing kpt #: 240 total cpu time spent up to now is 160.1 secs Computing kpt #: 241 total cpu time spent up to now is 160.8 secs Computing kpt #: 242 total cpu time spent up to now is 161.5 secs Computing kpt #: 243 total cpu time spent up to now is 162.2 secs Computing kpt #: 244 total cpu time spent up to now is 162.9 secs Computing kpt #: 245 total cpu time spent up to now is 163.5 secs Computing kpt #: 246 total cpu time spent up to now is 164.1 secs Computing kpt #: 247 total cpu time spent up to now is 164.7 secs Computing kpt #: 248 total cpu time spent up to now is 165.3 secs Computing kpt #: 249 total cpu time spent up to now is 165.9 secs Computing kpt #: 250 total cpu time spent up to now is 166.5 secs Computing kpt #: 251 total cpu time spent up to now is 167.1 secs Computing kpt #: 252 total cpu time spent up to now is 167.6 secs Computing kpt #: 253 total cpu time spent up to now is 168.2 secs Computing kpt #: 254 total cpu time spent up to now is 168.8 secs Computing kpt #: 255 total cpu time spent up to now is 169.3 secs Computing kpt #: 256 total cpu time spent up to now is 169.9 secs Computing kpt #: 257 total cpu time spent up to now is 170.4 secs Computing kpt #: 258 total cpu time spent up to now is 170.9 secs Computing kpt #: 259 total cpu time spent up to now is 171.5 secs Computing kpt #: 260 total cpu time spent up to now is 172.0 secs Computing kpt #: 261 total cpu time spent up to now is 172.5 secs Computing kpt #: 262 total cpu time spent up to now is 173.0 secs Computing kpt #: 263 total cpu time spent up to now is 173.6 secs Computing kpt #: 264 total cpu time spent up to now is 174.1 secs Computing kpt #: 265 total cpu time spent up to now is 174.6 secs Computing kpt #: 266 total cpu time spent up to now is 175.1 secs Computing kpt #: 267 total cpu time spent up to now is 175.7 secs Computing kpt #: 268 total cpu time spent up to now is 176.2 secs Computing kpt #: 269 total cpu time spent up to now is 176.7 secs Computing kpt #: 270 total cpu time spent up to now is 177.2 secs Computing kpt #: 271 total cpu time spent up to now is 177.7 secs Computing kpt #: 272 total cpu time spent up to now is 178.2 secs Computing kpt #: 273 total cpu time spent up to now is 178.7 secs Computing kpt #: 274 total cpu time spent up to now is 179.2 secs Computing kpt #: 275 total cpu time spent up to now is 179.7 secs Computing kpt #: 276 total cpu time spent up to now is 180.2 secs Computing kpt #: 277 total cpu time spent up to now is 180.7 secs Computing kpt #: 278 total cpu time spent up to now is 181.1 secs Computing kpt #: 279 total cpu time spent up to now is 181.6 secs Computing kpt #: 280 total cpu time spent up to now is 182.1 secs Computing kpt #: 281 total cpu time spent up to now is 182.6 secs Computing kpt #: 282 total cpu time spent up to now is 183.1 secs Computing kpt #: 283 total cpu time spent up to now is 183.6 secs Computing kpt #: 284 total cpu time spent up to now is 184.1 secs Computing kpt #: 285 total cpu time spent up to now is 184.6 secs Computing kpt #: 286 total cpu time spent up to now is 185.1 secs Computing kpt #: 287 total cpu time spent up to now is 185.6 secs Computing kpt #: 288 total cpu time spent up to now is 186.1 secs Computing kpt #: 289 total cpu time spent up to now is 186.6 secs Computing kpt #: 290 total cpu time spent up to now is 187.1 secs Computing kpt #: 291 total cpu time spent up to now is 187.6 secs Computing kpt #: 292 total cpu time spent up to now is 188.1 secs Computing kpt #: 293 total cpu time spent up to now is 188.6 secs Computing kpt #: 294 total cpu time spent up to now is 189.1 secs Computing kpt #: 295 total cpu time spent up to now is 189.6 secs Computing kpt #: 296 total cpu time spent up to now is 190.1 secs Computing kpt #: 297 total cpu time spent up to now is 190.6 secs Computing kpt #: 298 total cpu time spent up to now is 191.1 secs Computing kpt #: 299 total cpu time spent up to now is 191.6 secs Computing kpt #: 300 total cpu time spent up to now is 192.2 secs Computing kpt #: 301 total cpu time spent up to now is 192.7 secs Computing kpt #: 302 total cpu time spent up to now is 193.2 secs Computing kpt #: 303 total cpu time spent up to now is 193.8 secs Computing kpt #: 304 total cpu time spent up to now is 194.3 secs Computing kpt #: 305 total cpu time spent up to now is 194.8 secs Computing kpt #: 306 total cpu time spent up to now is 195.3 secs Computing kpt #: 307 total cpu time spent up to now is 195.9 secs Computing kpt #: 308 total cpu time spent up to now is 196.4 secs Computing kpt #: 309 total cpu time spent up to now is 196.9 secs Computing kpt #: 310 total cpu time spent up to now is 197.5 secs Computing kpt #: 311 total cpu time spent up to now is 198.0 secs Computing kpt #: 312 total cpu time spent up to now is 198.5 secs Computing kpt #: 313 total cpu time spent up to now is 199.1 secs Computing kpt #: 314 total cpu time spent up to now is 199.6 secs Computing kpt #: 315 total cpu time spent up to now is 200.1 secs Computing kpt #: 316 total cpu time spent up to now is 200.7 secs Computing kpt #: 317 total cpu time spent up to now is 201.3 secs Computing kpt #: 318 total cpu time spent up to now is 202.0 secs Computing kpt #: 319 total cpu time spent up to now is 202.7 secs Computing kpt #: 320 total cpu time spent up to now is 203.4 secs Computing kpt #: 321 total cpu time spent up to now is 204.3 secs Computing kpt #: 322 total cpu time spent up to now is 205.0 secs Computing kpt #: 323 total cpu time spent up to now is 205.7 secs Computing kpt #: 324 total cpu time spent up to now is 206.4 secs Computing kpt #: 325 total cpu time spent up to now is 207.1 secs Computing kpt #: 326 total cpu time spent up to now is 207.6 secs Computing kpt #: 327 total cpu time spent up to now is 208.2 secs Computing kpt #: 328 total cpu time spent up to now is 208.8 secs Computing kpt #: 329 total cpu time spent up to now is 209.3 secs Computing kpt #: 330 total cpu time spent up to now is 209.9 secs Computing kpt #: 331 total cpu time spent up to now is 210.6 secs Computing kpt #: 332 total cpu time spent up to now is 211.2 secs Computing kpt #: 333 total cpu time spent up to now is 211.8 secs Computing kpt #: 334 total cpu time spent up to now is 212.4 secs Computing kpt #: 335 total cpu time spent up to now is 212.9 secs Computing kpt #: 336 total cpu time spent up to now is 213.5 secs Computing kpt #: 337 total cpu time spent up to now is 214.1 secs Computing kpt #: 338 total cpu time spent up to now is 214.6 secs Computing kpt #: 339 total cpu time spent up to now is 215.2 secs Computing kpt #: 340 total cpu time spent up to now is 215.7 secs Computing kpt #: 341 total cpu time spent up to now is 216.3 secs Computing kpt #: 342 total cpu time spent up to now is 216.9 secs Computing kpt #: 343 total cpu time spent up to now is 217.5 secs Computing kpt #: 344 total cpu time spent up to now is 218.0 secs Computing kpt #: 345 total cpu time spent up to now is 218.5 secs Computing kpt #: 346 total cpu time spent up to now is 219.0 secs Computing kpt #: 347 total cpu time spent up to now is 219.5 secs Computing kpt #: 348 total cpu time spent up to now is 220.0 secs Computing kpt #: 349 total cpu time spent up to now is 220.5 secs Computing kpt #: 350 total cpu time spent up to now is 221.0 secs Computing kpt #: 351 total cpu time spent up to now is 221.4 secs Computing kpt #: 352 total cpu time spent up to now is 221.9 secs Computing kpt #: 353 total cpu time spent up to now is 222.4 secs Computing kpt #: 354 total cpu time spent up to now is 222.9 secs Computing kpt #: 355 total cpu time spent up to now is 223.4 secs Computing kpt #: 356 total cpu time spent up to now is 223.9 secs Computing kpt #: 357 total cpu time spent up to now is 224.4 secs ethr = 2.78E-08, avg # of iterations = 19.6 total cpu time spent up to now is 224.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3249 PWs) bands (ev): -17.1496 -17.1496 -3.6967 -3.6967 -1.9469 -1.9469 -1.4394 -1.4394 -1.2766 -1.2766 0.9355 0.9355 5.6046 5.6046 6.9976 6.9976 7.2596 7.2596 7.2737 7.2737 7.8542 7.8542 7.8557 7.8557 8.2337 8.2337 9.8371 9.8371 9.9957 9.9957 10.6004 10.6004 10.8073 10.8073 10.8552 10.8552 11.1494 11.1494 11.4779 11.4779 13.3929 13.3929 13.5447 13.5447 k = 0.0000 0.0000 0.0216 ( 3257 PWs) bands (ev): -17.1494 -17.1494 -3.6969 -3.6969 -1.9474 -1.9474 -1.4444 -1.4444 -1.2707 -1.2707 0.9348 0.9348 5.6065 5.6065 6.9980 6.9980 7.2584 7.2584 7.2730 7.2730 7.8521 7.8521 7.8552 7.8552 8.2345 8.2345 9.8378 9.8378 9.9954 9.9954 10.5995 10.5995 10.8056 10.8056 10.8535 10.8535 11.1506 11.1506 11.4788 11.4788 13.3929 13.3929 13.5388 13.5388 k = 0.0000 0.0000 0.0431 ( 3253 PWs) bands (ev): -17.1490 -17.1490 -3.6976 -3.6976 -1.9487 -1.9487 -1.4578 -1.4578 -1.2547 -1.2547 0.9328 0.9328 5.6123 5.6123 6.9994 6.9994 7.2537 7.2537 7.2722 7.2722 7.8428 7.8428 7.8570 7.8570 8.2374 8.2374 9.8399 9.8399 9.9945 9.9945 10.5970 10.5970 10.8006 10.8006 10.8483 10.8483 11.1545 11.1545 11.4816 11.4816 13.3931 13.3931 13.5145 13.5145 k = 0.0000 0.0000 0.0647 ( 3257 PWs) bands (ev): -17.1484 -17.1484 -3.6987 -3.6987 -1.9508 -1.9508 -1.4761 -1.4761 -1.2318 -1.2318 0.9296 0.9296 5.6218 5.6218 7.0015 7.0015 7.2439 7.2439 7.2727 7.2727 7.8271 7.8271 7.8599 7.8599 8.2421 8.2421 9.8435 9.8435 9.9931 9.9931 10.5928 10.5928 10.7923 10.7923 10.8400 10.8400 11.1608 11.1608 11.4857 11.4857 13.3930 13.3930 13.4700 13.4700 k = 0.0000 0.0000 0.0862 ( 3257 PWs) bands (ev): -17.1474 -17.1474 -3.7003 -3.7003 -1.9538 -1.9538 -1.4971 -1.4971 -1.2046 -1.2046 0.9251 0.9251 5.6350 5.6350 7.0046 7.0046 7.2293 7.2293 7.2747 7.2747 7.8053 7.8053 7.8640 7.8640 8.2487 8.2487 9.8484 9.8484 9.9912 9.9912 10.5869 10.5869 10.7804 10.7804 10.8288 10.8288 11.1697 11.1697 11.4914 11.4914 13.3914 13.3914 13.4120 13.4120 k = 0.0000 0.0000 0.1078 ( 3249 PWs) bands (ev): -17.1463 -17.1463 -3.7023 -3.7023 -1.9574 -1.9574 -1.5194 -1.5194 -1.1745 -1.1745 0.9193 0.9193 5.6517 5.6517 7.0087 7.0087 7.2104 7.2104 7.2778 7.2778 7.7777 7.7777 7.8692 7.8692 8.2570 8.2570 9.8545 9.8545 9.9890 9.9890 10.5794 10.5794 10.7650 10.7650 10.8151 10.8151 11.1811 11.1811 11.4985 11.4985 13.3407 13.3407 13.3927 13.3927 k = 0.0000 0.0000 0.1293 ( 3253 PWs) bands (ev): -17.1448 -17.1448 -3.7048 -3.7048 -1.9617 -1.9617 -1.5421 -1.5421 -1.1422 -1.1422 0.9124 0.9124 5.6719 5.6719 7.0135 7.0135 7.1876 7.1876 7.2818 7.2818 7.7445 7.7445 7.8752 7.8752 8.2667 8.2667 9.8617 9.8617 9.9863 9.9863 10.5702 10.5702 10.7460 10.7460 10.7991 10.7991 11.1948 11.1948 11.5067 11.5067 13.2655 13.2655 13.3900 13.3900 k = 0.0000 0.0000 0.1509 ( 3253 PWs) bands (ev): -17.1431 -17.1431 -3.7078 -3.7078 -1.9665 -1.9665 -1.5649 -1.5649 -1.1082 -1.1082 0.9044 0.9044 5.6953 5.6953 7.0193 7.0193 7.1614 7.1614 7.2866 7.2866 7.7059 7.7059 7.8821 7.8821 8.2779 8.2779 9.8699 9.8699 9.9835 9.9835 10.5594 10.5594 10.7236 10.7236 10.7813 10.7813 11.2107 11.2107 11.5156 11.5156 13.1858 13.1858 13.3858 13.3858 k = 0.0000 0.0000 0.1724 ( 3249 PWs) bands (ev): -17.1412 -17.1412 -3.7112 -3.7112 -1.9717 -1.9717 -1.5876 -1.5876 -1.0729 -1.0729 0.8952 0.8952 5.7218 5.7218 7.0259 7.0259 7.1322 7.1322 7.2922 7.2922 7.6624 7.6624 7.8896 7.8896 8.2904 8.2904 9.8787 9.8787 9.9805 9.9805 10.5469 10.5469 10.6979 10.6979 10.7618 10.7618 11.2287 11.2287 11.5254 11.5254 13.1035 13.1035 13.3796 13.3796 k = 0.0000 0.0000 0.1940 ( 3249 PWs) bands (ev): -17.1390 -17.1390 -3.7151 -3.7151 -1.9773 -1.9773 -1.6101 -1.6101 -1.0363 -1.0363 0.8851 0.8851 5.7509 5.7509 7.0328 7.0328 7.1010 7.1010 7.2986 7.2986 7.6143 7.6143 7.8976 7.8976 8.3040 8.3040 9.8880 9.8880 9.9775 9.9775 10.5329 10.5329 10.6693 10.6693 10.7408 10.7408 11.2485 11.2485 11.5355 11.5355 13.0201 13.0201 13.3709 13.3709 k = 0.0000 0.0000 0.2155 ( 3245 PWs) bands (ev): -17.1366 -17.1366 -3.7195 -3.7195 -1.9830 -1.9830 -1.6323 -1.6323 -0.9986 -0.9986 0.8740 0.8740 5.7823 5.7823 7.0377 7.0377 7.0706 7.0706 7.3058 7.3058 7.5619 7.5619 7.9060 7.9060 8.3186 8.3186 9.8973 9.8973 9.9747 9.9747 10.5174 10.5174 10.6383 10.6383 10.7184 10.7184 11.2700 11.2700 11.5460 11.5460 12.9367 12.9367 13.3594 13.3594 k = 0.0000 0.0000 0.2371 ( 3243 PWs) bands (ev): -17.1339 -17.1339 -3.7243 -3.7243 -1.9890 -1.9890 -1.6540 -1.6540 -0.9599 -0.9599 0.8621 0.8621 5.8157 5.8157 7.0221 7.0221 7.0600 7.0600 7.3137 7.3137 7.5057 7.5057 7.9145 7.9145 8.3342 8.3342 9.9061 9.9061 9.9724 9.9724 10.5005 10.5005 10.6051 10.6051 10.6948 10.6948 11.2927 11.2927 11.5564 11.5564 12.8541 12.8541 13.3450 13.3450 k = 0.0000 0.0000 0.2586 ( 3249 PWs) bands (ev): -17.1310 -17.1310 -3.7297 -3.7297 -1.9949 -1.9949 -1.6754 -1.6754 -0.9203 -0.9203 0.8495 0.8495 5.8504 5.8504 6.9879 6.9879 7.0679 7.0679 7.3223 7.3223 7.4459 7.4459 7.9229 7.9229 8.3504 8.3504 9.9133 9.9133 9.9711 9.9711 10.4820 10.4820 10.5702 10.5702 10.6701 10.6701 11.3163 11.3163 11.5667 11.5667 12.7730 12.7730 13.3275 13.3275 k = 0.0000 0.0000 0.2802 ( 3249 PWs) bands (ev): -17.1279 -17.1279 -3.7355 -3.7355 -2.0009 -2.0009 -1.6963 -1.6963 -0.8799 -0.8799 0.8362 0.8362 5.8859 5.8859 6.9510 6.9510 7.0792 7.0792 7.3315 7.3315 7.3832 7.3832 7.9312 7.9312 8.3672 8.3672 9.9181 9.9181 9.9714 9.9714 10.4620 10.4620 10.5342 10.5342 10.6446 10.6446 11.3406 11.3406 11.5769 11.5769 12.6943 12.6943 13.3071 13.3071 k = 0.0000 0.0000 0.3017 ( 3243 PWs) bands (ev): -17.1247 -17.1247 -3.7418 -3.7418 -2.0068 -2.0068 -1.7167 -1.7167 -0.8388 -0.8388 0.8223 0.8223 5.9213 5.9213 6.9140 6.9140 7.0920 7.0920 7.3172 7.3172 7.3421 7.3421 7.9391 7.9391 8.3846 8.3846 9.9197 9.9197 9.9736 9.9736 10.4403 10.4403 10.4977 10.4977 10.6185 10.6185 11.3650 11.3650 11.5868 11.5868 12.6186 12.6186 13.2838 13.2838 k = 0.0000 0.0000 0.3233 ( 3243 PWs) bands (ev): -17.1212 -17.1212 -3.7486 -3.7486 -2.0126 -2.0126 -1.7365 -1.7365 -0.7969 -0.7969 0.8079 0.8079 5.9557 5.9557 6.8783 6.8783 7.1060 7.1060 7.2495 7.2495 7.3525 7.3525 7.9464 7.9464 8.4025 8.4025 9.9179 9.9179 9.9773 9.9773 10.4162 10.4162 10.4618 10.4618 10.5921 10.5921 11.3891 11.3891 11.5962 11.5962 12.5466 12.5466 13.2578 13.2578 k = 0.0000 0.0000 0.3448 ( 3243 PWs) bands (ev): -17.1175 -17.1175 -3.7558 -3.7558 -2.0184 -2.0184 -1.7556 -1.7556 -0.7545 -0.7545 0.7933 0.7933 5.9877 5.9877 6.8452 6.8452 7.1212 7.1212 7.1798 7.1798 7.3639 7.3639 7.9530 7.9530 8.4207 8.4207 9.9132 9.9132 9.9814 9.9814 10.3885 10.3885 10.4281 10.4281 10.5656 10.5656 11.4126 11.4126 11.6050 11.6050 12.4788 12.4788 13.2292 13.2292 k = 0.0000 0.0000 0.3664 ( 3243 PWs) bands (ev): -17.1137 -17.1137 -3.7634 -3.7634 -2.0242 -2.0242 -1.7739 -1.7739 -0.7115 -0.7115 0.7783 0.7783 6.0158 6.0158 6.8164 6.8164 7.1080 7.1080 7.1379 7.1379 7.3760 7.3760 7.9587 7.9587 8.4391 8.4391 9.9061 9.9061 9.9848 9.9848 10.3561 10.3561 10.3982 10.3982 10.5394 10.5394 11.4349 11.4349 11.6134 11.6134 12.4159 12.4159 13.1981 13.1981 k = 0.0000 0.0000 0.3879 ( 3243 PWs) bands (ev): -17.1097 -17.1097 -3.7714 -3.7714 -2.0301 -2.0301 -1.7913 -1.7913 -0.6680 -0.6680 0.7632 0.7632 6.0383 6.0383 6.7935 6.7935 7.0353 7.0353 7.1551 7.1551 7.3885 7.3885 7.9633 7.9633 8.4579 8.4579 9.8968 9.8968 9.9865 9.9865 10.3197 10.3197 10.3716 10.3716 10.5138 10.5138 11.4556 11.4556 11.6211 11.6211 12.3584 12.3584 13.1644 13.1644 k = 0.0000 0.0000 0.4095 ( 3239 PWs) bands (ev): -17.1056 -17.1056 -3.7798 -3.7798 -2.0362 -2.0362 -1.8076 -1.8076 -0.6241 -0.6241 0.7481 0.7481 6.0533 6.0533 6.7785 6.7785 6.9614 6.9614 7.1735 7.1735 7.4017 7.4017 7.9668 7.9668 8.4767 8.4767 9.8854 9.8854 9.9858 9.9858 10.2813 10.2813 10.3469 10.3469 10.4892 10.4892 11.4743 11.4743 11.6283 11.6283 12.3069 12.3069 13.1282 13.1282 k = 0.0000 0.0000 0.4310 ( 3235 PWs) bands (ev): -17.1013 -17.1013 -3.7886 -3.7886 -2.0427 -2.0427 -1.8225 -1.8225 -0.5800 -0.5800 0.7331 0.7331 6.0593 6.0593 6.7728 6.7728 6.8869 6.8869 7.1929 7.1929 7.4155 7.4155 7.9691 7.9691 8.4954 8.4954 9.8718 9.8718 9.9822 9.9822 10.2419 10.2419 10.3232 10.3232 10.4658 10.4658 11.4906 11.4906 11.6349 11.6349 12.2618 12.2618 13.0892 13.0892 k = 0.0000 0.0000 0.4526 ( 3243 PWs) bands (ev): -17.0969 -17.0969 -3.7976 -3.7976 -2.0497 -2.0497 -1.8360 -1.8360 -0.5356 -0.5356 0.7182 0.7182 6.0554 6.0554 6.7771 6.7771 6.8118 6.8118 7.2132 7.2132 7.4297 7.4297 7.9700 7.9700 8.5140 8.5140 9.8558 9.8558 9.9751 9.9751 10.2021 10.2021 10.3003 10.3003 10.4439 10.4439 11.5041 11.5041 11.6409 11.6409 12.2233 12.2233 13.0471 13.0471 k = 0.0000 0.0000 0.4741 ( 3239 PWs) bands (ev): -17.0924 -17.0924 -3.8069 -3.8069 -2.0574 -2.0574 -1.8477 -1.8477 -0.4912 -0.4912 0.7036 0.7036 6.0419 6.0419 6.7366 6.7366 6.7914 6.7914 7.2343 7.2343 7.4444 7.4444 7.9697 7.9697 8.5324 8.5324 9.8375 9.8375 9.9644 9.9644 10.1625 10.1625 10.2780 10.2780 10.4239 10.4239 11.5146 11.5146 11.6463 11.6463 12.1917 12.1917 13.0015 13.0015 k = 0.0000 0.0000 0.4957 ( 3243 PWs) bands (ev): -17.0878 -17.0878 -3.8165 -3.8165 -2.0659 -2.0659 -1.8576 -1.8576 -0.4467 -0.4467 0.6894 0.6894 6.0197 6.0197 6.6614 6.6614 6.8146 6.8146 7.2562 7.2562 7.4596 7.4596 7.9680 7.9680 8.5504 8.5504 9.8168 9.8168 9.9499 9.9499 10.1229 10.1229 10.2561 10.2561 10.4058 10.4058 11.5218 11.5218 11.6513 11.6513 12.1669 12.1669 12.9520 12.9520 k = 0.0000 0.0000 0.5172 ( 3245 PWs) bands (ev): -17.0832 -17.0832 -3.8262 -3.8262 -2.0754 -2.0754 -1.8656 -1.8656 -0.4023 -0.4023 0.6756 0.6756 5.9905 5.9905 6.5864 6.5864 6.8449 6.8449 7.2788 7.2788 7.4752 7.4752 7.9651 7.9651 8.5680 8.5680 9.7936 9.7936 9.9316 9.9316 10.0837 10.0837 10.2351 10.2351 10.3899 10.3899 11.5256 11.5256 11.6557 11.6557 12.1486 12.1486 12.8980 12.8980 k = 0.0000 0.0000 0.5388 ( 3257 PWs) bands (ev): -17.0784 -17.0784 -3.8361 -3.8361 -2.0859 -2.0859 -1.8715 -1.8715 -0.3581 -0.3581 0.6624 0.6624 5.9558 5.9558 6.5119 6.5119 6.8807 6.8807 7.3017 7.3017 7.4910 7.4910 7.9610 7.9610 8.5850 8.5850 9.7680 9.7680 9.9098 9.9098 10.0450 10.0450 10.2148 10.2148 10.3762 10.3762 11.5258 11.5258 11.6597 11.6597 12.1366 12.1366 12.8388 12.8388 k = 0.0000 0.0000 0.5603 ( 3257 PWs) bands (ev): -17.0736 -17.0736 -3.8461 -3.8461 -2.0972 -2.0972 -1.8756 -1.8756 -0.3142 -0.3142 0.6498 0.6498 5.9174 5.9174 6.4380 6.4380 6.9204 6.9204 7.3249 7.3249 7.5072 7.5072 7.9560 7.9560 8.6014 8.6014 9.7404 9.7404 9.8848 9.8848 10.0066 10.0066 10.1954 10.1954 10.3647 10.3647 11.5225 11.5225 11.6632 11.6632 12.1300 12.1300 12.7741 12.7741 k = 0.0000 0.0000 0.5819 ( 3253 PWs) bands (ev): -17.0688 -17.0688 -3.8562 -3.8562 -2.1093 -2.1093 -1.8779 -1.8779 -0.2708 -0.2708 0.6380 0.6380 5.8765 5.8765 6.3650 6.3650 6.9624 6.9624 7.3480 7.3480 7.5237 7.5237 7.9503 7.9503 8.6171 8.6171 9.7109 9.7109 9.8570 9.8570 9.9686 9.9686 10.1768 10.1768 10.3553 10.3553 11.5157 11.5157 11.6664 11.6664 12.1283 12.1283 12.7035 12.7035 k = 0.0000 0.0000 0.6034 ( 3263 PWs) bands (ev): -17.0639 -17.0639 -3.8663 -3.8663 -2.1221 -2.1221 -1.8787 -1.8787 -0.2280 -0.2280 0.6269 0.6269 5.8342 5.8342 6.2930 6.2930 7.0056 7.0056 7.3708 7.3708 7.5403 7.5403 7.9444 7.9444 8.6319 8.6319 9.6797 9.6797 9.8268 9.8268 9.9310 9.9310 10.1592 10.1592 10.3479 10.3479 11.5053 11.5053 11.6692 11.6692 12.1304 12.1304 12.6267 12.6267 k = 0.0000 0.0000 0.6250 ( 3263 PWs) bands (ev): -17.0591 -17.0591 -3.8764 -3.8764 -2.1353 -2.1353 -1.8780 -1.8780 -0.1859 -0.1859 0.6167 0.6167 5.7915 5.7915 6.2222 6.2222 7.0490 7.0490 7.3929 7.3929 7.5570 7.5570 7.9387 7.9387 8.6457 8.6457 9.6472 9.6472 9.7947 9.7947 9.8941 9.8941 10.1426 10.1426 10.3424 10.3424 11.4915 11.4915 11.6715 11.6715 12.1352 12.1352 12.5437 12.5437 k = 0.0000 0.0000 0.6465 ( 3265 PWs) bands (ev): -17.0542 -17.0542 -3.8864 -3.8864 -2.1489 -2.1489 -1.8761 -1.8761 -0.1446 -0.1446 0.6074 0.6074 5.7492 5.7492 6.1527 6.1527 7.0918 7.0918 7.4136 7.4136 7.5737 7.5737 7.9338 7.9338 8.6585 8.6585 9.6136 9.6136 9.7613 9.7613 9.8579 9.8579 10.1273 10.1273 10.3385 10.3385 11.4746 11.4746 11.6735 11.6735 12.1416 12.1416 12.4548 12.4548 k = 0.0000 0.0000 0.6681 ( 3257 PWs) bands (ev): -17.0494 -17.0494 -3.8963 -3.8963 -2.1625 -2.1625 -1.8733 -1.8733 -0.1043 -0.1043 0.5990 0.5990 5.7078 5.7078 6.0845 6.0845 7.1332 7.1332 7.4325 7.4325 7.5905 7.5905 7.9306 7.9306 8.6702 8.6702 9.5793 9.5793 9.7269 9.7269 9.8225 9.8225 10.1132 10.1132 10.3361 10.3361 11.4546 11.4546 11.6751 11.6751 12.1483 12.1483 12.3604 12.3604 k = 0.0000 0.0000 0.6896 ( 3261 PWs) bands (ev): -17.0445 -17.0445 -3.9060 -3.9060 -2.1761 -2.1761 -1.8696 -1.8696 -0.0651 -0.0651 0.5917 0.5917 5.6678 5.6678 6.0180 6.0180 7.1727 7.1727 7.4488 7.4488 7.6069 7.6069 7.9297 7.9297 8.6807 8.6807 9.5445 9.5445 9.6920 9.6920 9.7879 9.7879 10.1004 10.1004 10.3349 10.3349 11.4316 11.4316 11.6764 11.6764 12.1543 12.1543 12.2612 12.2612 k = 0.0000 0.0000 0.7112 ( 3269 PWs) bands (ev): -17.0398 -17.0398 -3.9156 -3.9156 -2.1896 -2.1896 -1.8653 -1.8653 -0.0271 -0.0271 0.5853 0.5853 5.6298 5.6298 5.9531 5.9531 7.2095 7.2095 7.4617 7.4617 7.6231 7.6231 7.9319 7.9319 8.6900 8.6900 9.5093 9.5093 9.6569 9.6569 9.7544 9.7544 10.0892 10.0892 10.3349 10.3349 11.4060 11.4060 11.6772 11.6772 12.1559 12.1559 12.1601 12.1601 k = 0.0000 0.0000 0.7327 ( 3269 PWs) bands (ev): -17.0351 -17.0351 -3.9250 -3.9250 -2.2028 -2.2028 -1.8605 -1.8605 0.0095 0.0095 0.5800 0.5800 5.5941 5.5941 5.8900 5.8900 7.2433 7.2433 7.4707 7.4707 7.6389 7.6389 7.9385 7.9385 8.6982 8.6982 9.4743 9.4743 9.6221 9.6221 9.7220 9.7220 10.0795 10.0795 10.3358 10.3358 11.3778 11.3778 11.6776 11.6776 12.0507 12.0507 12.1598 12.1598 k = 0.0000 0.0000 0.7543 ( 3263 PWs) bands (ev): -17.0304 -17.0304 -3.9342 -3.9342 -2.2157 -2.2157 -1.8553 -1.8553 0.0446 0.0446 0.5756 0.5756 5.5610 5.5610 5.8288 5.8288 7.2736 7.2736 7.4753 7.4753 7.6542 7.6542 7.9497 7.9497 8.7050 8.7050 9.4395 9.4395 9.5879 9.5879 9.6909 9.6909 10.0715 10.0715 10.3374 10.3374 11.3475 11.3475 11.6775 11.6775 11.9416 11.9416 12.1576 12.1576 k = 0.0000 0.0000 0.7758 ( 3263 PWs) bands (ev): -17.0259 -17.0259 -3.9430 -3.9430 -2.2281 -2.2281 -1.8498 -1.8498 0.0781 0.0781 0.5724 0.5724 5.5309 5.5309 5.7696 5.7696 7.2999 7.2999 7.4754 7.4754 7.6690 7.6690 7.9660 7.9660 8.7106 8.7106 9.4051 9.4051 9.5546 9.5546 9.6610 9.6610 10.0653 10.0653 10.3398 10.3398 11.3150 11.3150 11.6758 11.6758 11.8316 11.8316 12.1515 12.1515 k = 0.0000 0.0000 0.7974 ( 3251 PWs) bands (ev): -17.0214 -17.0214 -3.9517 -3.9517 -2.2401 -2.2401 -1.8442 -1.8442 0.1099 0.1099 0.5701 0.5701 5.5039 5.5039 5.7125 5.7125 7.3219 7.3219 7.4712 7.4712 7.6832 7.6832 7.9872 7.9872 8.7151 8.7151 9.3714 9.3714 9.5226 9.5226 9.6325 9.6325 10.0610 10.0610 10.3427 10.3427 11.2806 11.2806 11.6654 11.6654 11.7290 11.7290 12.1414 12.1414 k = 0.0000 0.0000 0.8189 ( 3247 PWs) bands (ev): -17.0171 -17.0171 -3.9600 -3.9600 -2.2516 -2.2516 -1.8385 -1.8385 0.1399 0.1399 0.5687 0.5687 5.4802 5.4802 5.6576 5.6576 7.3392 7.3392 7.4633 7.4633 7.6969 7.6969 8.0131 8.0131 8.7184 8.7184 9.3384 9.3384 9.4921 9.4921 9.6053 9.6053 10.0586 10.0586 10.3460 10.3460 11.2446 11.2446 11.5909 11.5909 11.6896 11.6896 12.1274 12.1274 k = 0.0000 0.0000 0.8405 ( 3243 PWs) bands (ev): -17.0129 -17.0129 -3.9679 -3.9679 -2.2625 -2.2625 -1.8328 -1.8328 0.1681 0.1681 0.5683 0.5683 5.4600 5.4600 5.6048 5.6048 7.3515 7.3515 7.4525 7.4525 7.7100 7.7100 8.0429 8.0429 8.7207 8.7207 9.3063 9.3063 9.4633 9.4633 9.5795 9.5795 10.0581 10.0581 10.3496 10.3496 11.2070 11.2070 11.4814 11.4814 11.6850 11.6850 12.1099 12.1099 k = 0.0000 0.0000 0.8620 ( 3253 PWs) bands (ev): -17.0088 -17.0088 -3.9756 -3.9756 -2.2727 -2.2727 -1.8272 -1.8272 0.1943 0.1943 0.5687 0.5687 5.4433 5.4433 5.5544 5.5544 7.3583 7.3583 7.4396 7.4396 7.7225 7.7225 8.0762 8.0762 8.7220 8.7220 9.2751 9.2751 9.4363 9.4363 9.5553 9.5553 10.0596 10.0596 10.3535 10.3535 11.1680 11.1680 11.3692 11.3692 11.6834 11.6834 12.0895 12.0895 k = 0.0000 0.0000 0.8836 ( 3253 PWs) bands (ev): -17.0049 -17.0049 -3.9829 -3.9829 -2.2824 -2.2824 -1.8216 -1.8216 0.2186 0.2186 0.5699 0.5699 5.4302 5.4302 5.5064 5.5064 7.3593 7.3593 7.4258 7.4258 7.7344 7.7344 8.1125 8.1125 8.7224 8.7224 9.2450 9.2450 9.4113 9.4113 9.5325 9.5325 10.0632 10.0632 10.3575 10.3575 11.1274 11.1274 11.2577 11.2577 11.6825 11.6825 12.0669 12.0669 k = 0.0000 0.0000 0.9051 ( 3249 PWs) bands (ev): -17.0012 -17.0012 -3.9898 -3.9898 -2.2915 -2.2915 -1.8163 -1.8163 0.2409 0.2409 0.5719 0.5719 5.4206 5.4206 5.4609 5.4609 7.3544 7.3544 7.4119 7.4119 7.7456 7.7456 8.1513 8.1513 8.7218 8.7218 9.2163 9.2163 9.3884 9.3884 9.5115 9.5115 10.0689 10.0689 10.3617 10.3617 11.0840 11.0840 11.1491 11.1491 11.6818 11.6818 12.0428 12.0428 k = 0.0000 0.0000 0.9267 ( 3253 PWs) bands (ev): -16.9976 -16.9976 -3.9963 -3.9963 -2.2999 -2.2999 -1.8111 -1.8111 0.2612 0.2612 0.5745 0.5745 5.4125 5.4125 5.4199 5.4199 7.3440 7.3440 7.3981 7.3981 7.7561 7.7561 8.1920 8.1920 8.7204 8.7204 9.1888 9.1888 9.3677 9.3677 9.4921 9.4921 10.0766 10.0766 10.3659 10.3659 11.0218 11.0218 11.0601 11.0601 11.6812 11.6812 12.0179 12.0179 k = 0.0000 0.0000 0.9482 ( 3257 PWs) bands (ev): -16.9942 -16.9942 -4.0024 -4.0024 -2.3077 -2.3077 -1.8062 -1.8062 0.2796 0.2796 0.5776 0.5776 5.3766 5.3766 5.4126 5.4126 7.3296 7.3296 7.3837 7.3837 7.7659 7.7659 8.2343 8.2343 8.7182 8.7182 9.1628 9.1628 9.3491 9.3491 9.4745 9.4745 10.0865 10.0865 10.3699 10.3699 10.9222 10.9222 11.0099 11.0099 11.6806 11.6806 11.9931 11.9931 k = 0.0000 0.0000 0.9698 ( 3255 PWs) bands (ev): -16.9910 -16.9910 -4.0082 -4.0082 -2.3148 -2.3148 -1.8016 -1.8016 0.2961 0.2961 0.5811 0.5811 5.3387 5.3387 5.4130 5.4130 7.3127 7.3127 7.3679 7.3679 7.7751 7.7751 8.2778 8.2778 8.7153 8.7153 9.1383 9.1383 9.3327 9.3327 9.4588 9.4588 10.0984 10.0984 10.3739 10.3739 10.8182 10.8182 10.9660 10.9660 11.6800 11.6800 11.9687 11.9687 k = 0.0000 0.0000 0.9913 ( 3263 PWs) bands (ev): -16.9879 -16.9879 -4.0135 -4.0135 -2.3213 -2.3213 -1.7972 -1.7972 0.3108 0.3108 0.5849 0.5849 5.3034 5.3034 5.4163 5.4163 7.2946 7.2946 7.3503 7.3503 7.7836 7.7836 8.3220 8.3220 8.7116 8.7116 9.1152 9.1152 9.3185 9.3185 9.4451 9.4451 10.1125 10.1125 10.3778 10.3778 10.7159 10.7159 10.9227 10.9227 11.6794 11.6794 11.9452 11.9452 k = 0.0000 0.0000 1.0129 ( 3263 PWs) bands (ev): -16.9851 -16.9851 -4.0184 -4.0184 -2.3273 -2.3273 -1.7931 -1.7931 0.3238 0.3238 0.5890 0.5890 5.2708 5.2708 5.4223 5.4223 7.2762 7.2762 7.3307 7.3307 7.7913 7.7913 8.3666 8.3666 8.7073 8.7073 9.0939 9.0939 9.3063 9.3063 9.4337 9.4337 10.1285 10.1285 10.3816 10.3816 10.6164 10.6164 10.8797 10.8797 11.6788 11.6788 11.9230 11.9230 k = 0.0000 0.0000 1.0344 ( 3257 PWs) bands (ev): -16.9826 -16.9826 -4.0229 -4.0229 -2.3326 -2.3326 -1.7894 -1.7894 0.3351 0.3351 0.5932 0.5932 5.2409 5.2409 5.4304 5.4304 7.2582 7.2582 7.3095 7.3095 7.7984 7.7984 8.4109 8.4109 8.7025 8.7025 9.0743 9.0743 9.2961 9.2961 9.4248 9.4248 10.1466 10.1466 10.3851 10.3851 10.5201 10.5201 10.8368 10.8368 11.6783 11.6783 11.9025 11.9025 k = 0.0000 0.0000 1.0560 ( 3261 PWs) bands (ev): -16.9802 -16.9802 -4.0270 -4.0270 -2.3373 -2.3373 -1.7860 -1.7860 0.3449 0.3449 0.5973 0.5973 5.2137 5.2137 5.4403 5.4403 7.2409 7.2409 7.2873 7.2873 7.8048 7.8048 8.4546 8.4546 8.6973 8.6973 9.0563 9.0563 9.2877 9.2877 9.4184 9.4184 10.1664 10.1664 10.3882 10.3882 10.4279 10.4279 10.7941 10.7941 11.6778 11.6778 11.8838 11.8838 k = 0.0000 0.0000 1.0775 ( 3273 PWs) bands (ev): -16.9781 -16.9781 -4.0307 -4.0307 -2.3415 -2.3415 -1.7829 -1.7829 0.3533 0.3533 0.6013 0.6013 5.1892 5.1892 5.4514 5.4514 7.2247 7.2247 7.2645 7.2645 7.8104 7.8104 8.4969 8.4969 8.6920 8.6920 9.0401 9.0401 9.2809 9.2809 9.4147 9.4147 10.1879 10.1879 10.3392 10.3392 10.3918 10.3918 10.7517 10.7517 11.6773 11.6773 11.8670 11.8670 k = 0.0000 0.0000 1.0991 ( 3269 PWs) bands (ev): -16.9762 -16.9762 -4.0339 -4.0339 -2.3452 -2.3452 -1.7802 -1.7802 0.3604 0.3604 0.6052 0.6052 5.1676 5.1676 5.4632 5.4632 7.2099 7.2099 7.2420 7.2420 7.8154 7.8154 8.5372 8.5372 8.6867 8.6867 9.0258 9.0258 9.2756 9.2756 9.4139 9.4139 10.2091 10.2091 10.2583 10.2583 10.3944 10.3944 10.7099 10.7099 11.6769 11.6769 11.8522 11.8522 k = 0.0000 0.0000 1.1206 ( 3267 PWs) bands (ev): -16.9745 -16.9745 -4.0367 -4.0367 -2.3483 -2.3483 -1.7778 -1.7778 0.3663 0.3663 0.6087 0.6087 5.1489 5.1489 5.4752 5.4752 7.1966 7.1966 7.2204 7.2204 7.8197 7.8197 8.5747 8.5747 8.6816 8.6816 9.0132 9.0132 9.2715 9.2715 9.4162 9.4162 10.1740 10.1740 10.2409 10.2409 10.3968 10.3968 10.6687 10.6687 11.6765 11.6765 11.8395 11.8395 k = 0.0000 0.0000 1.1422 ( 3263 PWs) bands (ev): -16.9731 -16.9731 -4.0391 -4.0391 -2.3509 -2.3509 -1.7758 -1.7758 0.3710 0.3710 0.6118 0.6118 5.1330 5.1330 5.4866 5.4866 7.1850 7.1850 7.2006 7.2006 7.8233 7.8233 8.6085 8.6085 8.6770 8.6770 9.0026 9.0026 9.2684 9.2684 9.4215 9.4215 10.1041 10.1041 10.2665 10.2665 10.3989 10.3989 10.6283 10.6283 11.6762 11.6762 11.8288 11.8288 k = 0.0000 0.0000 1.1637 ( 3268 PWs) bands (ev): -16.9719 -16.9719 -4.0411 -4.0411 -2.3530 -2.3530 -1.7741 -1.7741 0.3748 0.3748 0.6144 0.6144 5.1199 5.1199 5.4970 5.4970 7.1750 7.1750 7.1835 7.1835 7.8263 7.8263 8.6375 8.6375 8.6731 8.6731 8.9938 8.9938 9.2662 9.2662 9.4292 9.4292 10.0408 10.0408 10.2946 10.2946 10.4006 10.4006 10.5889 10.5889 11.6759 11.6759 11.8200 11.8200 k = 0.0000 0.0000 1.1853 ( 3258 PWs) bands (ev): -16.9710 -16.9710 -4.0426 -4.0426 -2.3546 -2.3546 -1.7728 -1.7728 0.3776 0.3776 0.6166 0.6166 5.1098 5.1098 5.5057 5.5057 7.1658 7.1658 7.1707 7.1707 7.8286 7.8286 8.6597 8.6597 8.6715 8.6715 8.9870 8.9870 9.2646 9.2646 9.4384 9.4384 9.9872 9.9872 10.3239 10.3239 10.4020 10.4020 10.5510 10.5510 11.6757 11.6757 11.8134 11.8134 k = 0.0000 0.0000 1.2068 ( 3260 PWs) bands (ev): -16.9704 -16.9704 -4.0437 -4.0437 -2.3558 -2.3558 -1.7719 -1.7719 0.3796 0.3796 0.6181 0.6181 5.1025 5.1025 5.5123 5.5123 7.1566 7.1566 7.1637 7.1637 7.8302 7.8302 8.6650 8.6650 8.6813 8.6813 8.9820 8.9820 9.2636 9.2636 9.4475 9.4475 9.9458 9.9458 10.3534 10.3534 10.4030 10.4030 10.5153 10.5153 11.6756 11.6756 11.8085 11.8085 k = 0.0000 0.0000 1.2284 ( 3272 PWs) bands (ev): -16.9700 -16.9700 -4.0443 -4.0443 -2.3565 -2.3565 -1.7713 -1.7713 0.3808 0.3808 0.6191 0.6191 5.0981 5.0981 5.5164 5.5164 7.1503 7.1503 7.1601 7.1601 7.8312 7.8312 8.6641 8.6641 8.6914 8.6914 8.9790 8.9790 9.2630 9.2630 9.4542 9.4542 9.9191 9.9191 10.3804 10.3804 10.4035 10.4035 10.4846 10.4846 11.6755 11.6755 11.8056 11.8056 k = 0.0000 0.0000 1.2499 ( 3264 PWs) bands (ev): -16.9699 -16.9699 -4.0445 -4.0445 -2.3567 -2.3567 -1.7712 -1.7712 0.3812 0.3812 0.6194 0.6194 5.0967 5.0967 5.5178 5.5178 7.1481 7.1481 7.1589 7.1589 7.8315 7.8315 8.6637 8.6637 8.6950 8.6950 8.9780 8.9780 9.2629 9.2629 9.4569 9.4569 9.9099 9.9099 10.3942 10.3942 10.4036 10.4036 10.4697 10.4697 11.6755 11.6755 11.8047 11.8047 k = 0.0000 0.0000 1.2499 ( 3264 PWs) bands (ev): -16.9699 -16.9699 -4.0445 -4.0445 -2.3567 -2.3567 -1.7712 -1.7712 0.3812 0.3812 0.6194 0.6194 5.0967 5.0967 5.5178 5.5178 7.1481 7.1481 7.1589 7.1589 7.8315 7.8315 8.6637 8.6637 8.6950 8.6950 8.9780 8.9780 9.2629 9.2629 9.4569 9.4569 9.9099 9.9099 10.3942 10.3942 10.4036 10.4036 10.4697 10.4697 11.6755 11.6755 11.8047 11.8047 k =-0.0079 0.0182 1.2499 ( 3274 PWs) bands (ev): -16.9700 -16.9700 -4.0444 -4.0444 -2.3565 -2.3565 -1.7714 -1.7714 0.3819 0.3819 0.6178 0.6178 5.0990 5.0990 5.5190 5.5190 7.1484 7.1484 7.1590 7.1590 7.8304 7.8304 8.6640 8.6640 8.6883 8.6883 8.9805 8.9805 9.2634 9.2634 9.4604 9.4604 9.9101 9.9101 10.3947 10.3947 10.4035 10.4035 10.4701 10.4701 11.6761 11.6761 11.8047 11.8047 k =-0.0159 0.0364 1.2499 ( 3266 PWs) bands (ev): -16.9703 -16.9703 -4.0438 -4.0438 -2.3558 -2.3558 -1.7721 -1.7721 0.3839 0.3839 0.6130 0.6130 5.1060 5.1060 5.5225 5.5225 7.1492 7.1492 7.1595 7.1595 7.8272 7.8272 8.6625 8.6625 8.6718 8.6718 8.9869 8.9869 9.2650 9.2650 9.4710 9.4710 9.9108 9.9108 10.3966 10.3966 10.4034 10.4034 10.4715 10.4715 11.6783 11.6783 11.8047 11.8047 k =-0.0238 0.0546 1.2499 ( 3266 PWs) bands (ev): -16.9709 -16.9709 -4.0429 -4.0429 -2.3546 -2.3546 -1.7733 -1.7733 0.3873 0.3873 0.6051 0.6051 5.1176 5.1176 5.5284 5.5284 7.1505 7.1505 7.1601 7.1601 7.8217 7.8217 8.6371 8.6371 8.6699 8.6699 8.9953 8.9953 9.2677 9.2677 9.4880 9.4880 9.9118 9.9118 10.3989 10.3989 10.4039 10.4039 10.4737 10.4737 11.6819 11.6819 11.8049 11.8049 k =-0.0318 0.0727 1.2499 ( 3258 PWs) bands (ev): -16.9716 -16.9716 -4.0416 -4.0416 -2.3530 -2.3530 -1.7750 -1.7750 0.3920 0.3920 0.5942 0.5942 5.1336 5.1336 5.5366 5.5366 7.1522 7.1522 7.1611 7.1611 7.8142 7.8142 8.5999 8.5999 8.6733 8.6733 9.0040 9.0040 9.2715 9.2715 9.5107 9.5107 9.9133 9.9133 10.3998 10.3998 10.4070 10.4070 10.4769 10.4769 11.6870 11.6870 11.8051 11.8051 k =-0.0397 0.0909 1.2499 ( 3250 PWs) bands (ev): -16.9726 -16.9726 -4.0399 -4.0399 -2.3509 -2.3509 -1.7772 -1.7772 0.3980 0.3980 0.5804 0.5804 5.1539 5.1539 5.5471 5.5471 7.1543 7.1543 7.1623 7.1623 7.8046 7.8046 8.5569 8.5569 8.6781 8.6781 9.0117 9.0117 9.2765 9.2765 9.5384 9.5384 9.9150 9.9150 10.3991 10.3991 10.4130 10.4130 10.4813 10.4813 11.6935 11.6935 11.8054 11.8054 k =-0.0476 0.1091 1.2499 ( 3246 PWs) bands (ev): -16.9738 -16.9738 -4.0379 -4.0379 -2.3484 -2.3484 -1.7799 -1.7799 0.4051 0.4051 0.5640 0.5640 5.1782 5.1782 5.5600 5.5600 7.1567 7.1567 7.1637 7.1637 7.7931 7.7931 8.5098 8.5098 8.6841 8.6841 9.0178 9.0178 9.2825 9.2825 9.5701 9.5701 9.9172 9.9172 10.3979 10.3979 10.4207 10.4207 10.4868 10.4868 11.7014 11.7014 11.8057 11.8057 k =-0.0476 0.1091 1.2499 ( 3246 PWs) bands (ev): -16.9738 -16.9738 -4.0379 -4.0379 -2.3484 -2.3484 -1.7799 -1.7799 0.4051 0.4051 0.5640 0.5640 5.1782 5.1782 5.5600 5.5600 7.1567 7.1567 7.1637 7.1637 7.7931 7.7931 8.5098 8.5098 8.6841 8.6841 9.0178 9.0178 9.2825 9.2825 9.5701 9.5701 9.9172 9.9172 10.3979 10.3979 10.4207 10.4207 10.4868 10.4868 11.7014 11.7014 11.8057 11.8057 k =-0.0536 0.1228 1.2350 ( 3250 PWs) bands (ev): -16.9749 -16.9749 -4.0360 -4.0360 -2.3460 -2.3460 -1.7822 -1.7822 0.4110 0.4110 0.5498 0.5498 5.1997 5.1997 5.5704 5.5704 7.1597 7.1597 7.1655 7.1655 7.7831 7.7831 8.4716 8.4716 8.6897 8.6897 9.0214 9.0214 9.2877 9.2877 9.5939 9.5939 9.9233 9.9233 10.3901 10.3901 10.4296 10.4296 10.4969 10.4969 11.7084 11.7084 11.8065 11.8065 k =-0.0595 0.1364 1.2202 ( 3251 PWs) bands (ev): -16.9762 -16.9762 -4.0338 -4.0338 -2.3432 -2.3432 -1.7849 -1.7849 0.4171 0.4171 0.5341 0.5341 5.2243 5.2243 5.5806 5.5806 7.1645 7.1645 7.1687 7.1687 7.7718 7.7718 8.4307 8.4307 8.6967 8.6967 9.0245 9.0245 9.2937 9.2937 9.6151 9.6151 9.9376 9.9376 10.3757 10.3757 10.4404 10.4404 10.5150 10.5150 11.7162 11.7162 11.8084 11.8084 k =-0.0655 0.1500 1.2053 ( 3249 PWs) bands (ev): -16.9777 -16.9777 -4.0314 -4.0314 -2.3399 -2.3399 -1.7878 -1.7878 0.4234 0.4234 0.5170 0.5170 5.2521 5.2521 5.5906 5.5906 7.1700 7.1700 7.1744 7.1744 7.7592 7.7592 8.3877 8.3877 8.7050 8.7050 9.0269 9.0269 9.3005 9.3005 9.6338 9.6338 9.9586 9.9586 10.3594 10.3594 10.4525 10.4525 10.5372 10.5372 11.7253 11.7253 11.8116 11.8116 k =-0.0714 0.1637 1.1904 ( 3252 PWs) bands (ev): -16.9795 -16.9795 -4.0287 -4.0287 -2.3362 -2.3362 -1.7908 -1.7908 0.4297 0.4297 0.4987 0.4987 5.2828 5.2828 5.6003 5.6003 7.1751 7.1751 7.1833 7.1833 7.7456 7.7456 8.3434 8.3434 8.7146 8.7146 9.0290 9.0290 9.3081 9.3081 9.6505 9.6505 9.9844 9.9844 10.3428 10.3428 10.4668 10.4668 10.5616 10.5616 11.7355 11.7355 11.8162 11.8162 k =-0.0774 0.1773 1.1755 ( 3248 PWs) bands (ev): -16.9815 -16.9815 -4.0258 -4.0258 -2.3320 -2.3320 -1.7938 -1.7938 0.4358 0.4358 0.4795 0.4795 5.3161 5.3161 5.6097 5.6097 7.1805 7.1805 7.1945 7.1945 7.7310 7.7310 8.2984 8.2984 8.7256 8.7256 9.0307 9.0307 9.3165 9.3165 9.6660 9.6660 10.0126 10.0126 10.3267 10.3267 10.4843 10.4843 10.5871 10.5871 11.7470 11.7470 11.8222 11.8222 k =-0.0833 0.1909 1.1606 ( 3252 PWs) bands (ev): -16.9836 -16.9836 -4.0228 -4.0228 -2.3276 -2.3276 -1.7967 -1.7967 0.4403 0.4403 0.4607 0.4607 5.3518 5.3518 5.6188 5.6188 7.1863 7.1863 7.2076 7.2076 7.7154 7.7154 8.2534 8.2534 8.7380 8.7380 9.0323 9.0323 9.3258 9.3258 9.6811 9.6811 10.0409 10.0409 10.3112 10.3112 10.5059 10.5059 10.6132 10.6132 11.7599 11.7599 11.8298 11.8298 k =-0.0893 0.2046 1.1458 ( 3254 PWs) bands (ev): -16.9859 -16.9859 -4.0197 -4.0197 -2.3228 -2.3228 -1.7992 -1.7992 0.4323 0.4323 0.4537 0.4537 5.3896 5.3896 5.6275 5.6275 7.1924 7.1924 7.2223 7.2223 7.6990 7.6990 8.2087 8.2087 8.7517 8.7517 9.0337 9.0337 9.3361 9.3361 9.6964 9.6964 10.0674 10.0674 10.2965 10.2965 10.5323 10.5323 10.6396 10.6396 11.7744 11.7744 11.8394 11.8394 k =-0.0952 0.2182 1.1309 ( 3254 PWs) bands (ev): -16.9884 -16.9884 -4.0166 -4.0166 -2.3178 -2.3178 -1.8014 -1.8014 0.4118 0.4118 0.4583 0.4583 5.4293 5.4293 5.6360 5.6360 7.1987 7.1987 7.2383 7.2383 7.6820 7.6820 8.1649 8.1649 8.7669 8.7669 9.0352 9.0352 9.3472 9.3472 9.7121 9.7121 10.0907 10.0907 10.2825 10.2825 10.5643 10.5643 10.6661 10.6661 11.7905 11.7905 11.8508 11.8508 k =-0.1012 0.2319 1.1160 ( 3256 PWs) bands (ev): -16.9911 -16.9911 -4.0136 -4.0136 -2.3128 -2.3128 -1.8029 -1.8029 0.3892 0.3892 0.4643 0.4643 5.4705 5.4705 5.6443 5.6443 7.2051 7.2051 7.2555 7.2555 7.6644 7.6644 8.1224 8.1224 8.7833 8.7833 9.0368 9.0368 9.3594 9.3594 9.7284 9.7284 10.1099 10.1099 10.2693 10.2693 10.6018 10.6018 10.6928 10.6928 11.8083 11.8083 11.8644 11.8644 k =-0.1071 0.2455 1.1011 ( 3258 PWs) bands (ev): -16.9938 -16.9938 -4.0106 -4.0106 -2.3076 -2.3076 -1.8037 -1.8037 0.3658 0.3658 0.4703 0.4703 5.5130 5.5130 5.6523 5.6523 7.2112 7.2112 7.2734 7.2734 7.6465 7.6465 8.0816 8.0816 8.8011 8.8011 9.0385 9.0385 9.3727 9.3727 9.7454 9.7454 10.1247 10.1247 10.2568 10.2568 10.6444 10.6444 10.7196 10.7196 11.8280 11.8280 11.8803 11.8803 k =-0.1131 0.2591 1.0862 ( 3256 PWs) bands (ev): -16.9967 -16.9967 -4.0078 -4.0078 -2.3026 -2.3026 -1.8036 -1.8036 0.3421 0.3421 0.4763 0.4763 5.5562 5.5562 5.6602 5.6602 7.2170 7.2170 7.2920 7.2920 7.6284 7.6284 8.0428 8.0428 8.8201 8.8201 9.0405 9.0405 9.3871 9.3871 9.7628 9.7628 10.1352 10.1352 10.2451 10.2451 10.6909 10.6909 10.7476 10.7476 11.8496 11.8496 11.8986 11.8986 k =-0.1191 0.2728 1.0714 ( 3256 PWs) bands (ev): -16.9997 -16.9997 -4.0052 -4.0052 -2.2978 -2.2978 -1.8024 -1.8024 0.3180 0.3180 0.4820 0.4820 5.5996 5.5996 5.6684 5.6684 7.2222 7.2222 7.3109 7.3109 7.6103 7.6103 8.0064 8.0064 8.8404 8.8404 9.0428 9.0428 9.4027 9.4027 9.7805 9.7805 10.1416 10.1416 10.2340 10.2340 10.7373 10.7373 10.7799 10.7799 11.8731 11.8731 11.9194 11.9194 k =-0.1250 0.2864 1.0565 ( 3260 PWs) bands (ev): -17.0028 -17.0028 -4.0028 -4.0028 -2.2934 -2.2934 -1.7999 -1.7999 0.2939 0.2939 0.4875 0.4875 5.6409 5.6409 5.6787 5.6787 7.2268 7.2268 7.3300 7.3300 7.5923 7.5923 7.9726 7.9726 8.8617 8.8617 9.0454 9.0454 9.4194 9.4194 9.7982 9.7982 10.1445 10.1445 10.2236 10.2236 10.7753 10.7753 10.8244 10.8244 11.8986 11.8986 11.9425 11.9425 k =-0.1310 0.3000 1.0416 ( 3260 PWs) bands (ev): -17.0059 -17.0059 -4.0007 -4.0007 -2.2894 -2.2894 -1.7960 -1.7960 0.2699 0.2699 0.4927 0.4927 5.6690 5.6690 5.7019 5.7019 7.2305 7.2305 7.3489 7.3489 7.5746 7.5746 7.9415 7.9415 8.8841 8.8841 9.0483 9.0483 9.4375 9.4375 9.8156 9.8156 10.1441 10.1441 10.2141 10.2141 10.8041 10.8041 10.8813 10.8813 11.9260 11.9260 11.9680 11.9680 k =-0.1369 0.3137 1.0267 ( 3258 PWs) bands (ev): -17.0091 -17.0091 -3.9989 -3.9989 -2.2860 -2.2860 -1.7906 -1.7906 0.2460 0.2460 0.4976 0.4976 5.6800 5.6800 5.7416 5.7416 7.2334 7.2334 7.3676 7.3676 7.5574 7.5574 7.9133 7.9133 8.9076 8.9076 9.0517 9.0517 9.4567 9.4567 9.8322 9.8322 10.1408 10.1408 10.2056 10.2056 10.8291 10.8291 10.9449 10.9449 11.9553 11.9553 11.9959 11.9959 k =-0.1429 0.3273 1.0118 ( 3264 PWs) bands (ev): -17.0124 -17.0124 -3.9973 -3.9973 -2.2832 -2.2832 -1.7836 -1.7836 0.2223 0.2223 0.5021 0.5021 5.6866 5.6866 5.7846 5.7846 7.2354 7.2354 7.3856 7.3856 7.5409 7.5409 7.8881 7.8881 8.9319 8.9319 9.0556 9.0556 9.4771 9.4771 9.8477 9.8477 10.1348 10.1348 10.1985 10.1985 10.8525 10.8525 11.0127 11.0127 11.9859 11.9859 12.0259 12.0259 k =-0.1488 0.3410 0.9970 ( 3266 PWs) bands (ev): -17.0156 -17.0156 -3.9961 -3.9961 -2.2812 -2.2812 -1.7751 -1.7751 0.1991 0.1991 0.5062 0.5062 5.6918 5.6918 5.8277 5.8277 7.2368 7.2368 7.4030 7.4030 7.5254 7.5254 7.8656 7.8656 8.9571 8.9571 9.0600 9.0600 9.4987 9.4987 9.8616 9.8616 10.1263 10.1263 10.1929 10.1929 10.8751 10.8751 11.0841 11.0841 12.0174 12.0174 12.0583 12.0583 k =-0.1548 0.3546 0.9821 ( 3268 PWs) bands (ev): -17.0189 -17.0189 -3.9952 -3.9952 -2.2800 -2.2800 -1.7650 -1.7650 0.1764 0.1764 0.5100 0.5100 5.6961 5.6961 5.8699 5.8699 7.2375 7.2375 7.4193 7.4193 7.5110 7.5110 7.8459 7.8459 8.9830 8.9830 9.0650 9.0650 9.5213 9.5213 9.8734 9.8734 10.1156 10.1156 10.1892 10.1892 10.8972 10.8972 11.1585 11.1585 12.0489 12.0489 12.0931 12.0931 k =-0.1607 0.3682 0.9672 ( 3270 PWs) bands (ev): -17.0221 -17.0221 -3.9946 -3.9946 -2.2795 -2.2795 -1.7535 -1.7535 0.1543 0.1543 0.5135 0.5135 5.6996 5.6996 5.9108 5.9108 7.2380 7.2380 7.4341 7.4341 7.4982 7.4982 7.8285 7.8285 9.0095 9.0095 9.0707 9.0707 9.5447 9.5447 9.8826 9.8826 10.1028 10.1028 10.1874 10.1874 10.9192 10.9192 11.2359 11.2359 12.0791 12.0791 12.1307 12.1307 k =-0.1667 0.3819 0.9523 ( 3270 PWs) bands (ev): -17.0252 -17.0252 -3.9942 -3.9942 -2.2797 -2.2797 -1.7406 -1.7406 0.1328 0.1328 0.5165 0.5165 5.7023 5.7023 5.9501 5.9501 7.2386 7.2386 7.4464 7.4464 7.4882 7.4882 7.8132 7.8132 9.0365 9.0365 9.0772 9.0772 9.5687 9.5687 9.8888 9.8888 10.0883 10.0883 10.1878 10.1878 10.9415 10.9415 11.3160 11.3160 12.1068 12.1068 12.1711 12.1711 k =-0.1726 0.3955 0.9374 ( 3270 PWs) bands (ev): -17.0284 -17.0284 -3.9942 -3.9942 -2.2806 -2.2806 -1.7265 -1.7265 0.1121 0.1121 0.5193 0.5193 5.7041 5.7041 5.9874 5.9874 7.2395 7.2395 7.4531 7.4531 7.4840 7.4840 7.7996 7.7996 9.0632 9.0632 9.0852 9.0852 9.5931 9.5931 9.8919 9.8919 10.0721 10.0721 10.1902 10.1902 10.9643 10.9643 11.3988 11.3988 12.1308 12.1308 12.2141 12.2141 k =-0.1786 0.4091 0.9226 ( 3270 PWs) bands (ev): -17.0314 -17.0314 -3.9944 -3.9944 -2.2821 -2.2821 -1.7114 -1.7114 0.0923 0.0923 0.5217 0.5217 5.7052 5.7052 6.0226 6.0226 7.2413 7.2413 7.4513 7.4513 7.4885 7.4885 7.7874 7.7874 9.0849 9.0849 9.0994 9.0994 9.6176 9.6176 9.8919 9.8919 10.0546 10.0546 10.1946 10.1946 10.9880 10.9880 11.4841 11.4841 12.1502 12.1502 12.2595 12.2595 k =-0.1845 0.4228 0.9077 ( 3269 PWs) bands (ev): -17.0344 -17.0344 -3.9948 -3.9948 -2.2841 -2.2841 -1.6955 -1.6955 0.0733 0.0733 0.5238 0.5238 5.7055 5.7055 6.0553 6.0553 7.2441 7.2441 7.4455 7.4455 7.4971 7.4971 7.7760 7.7760 9.0963 9.0963 9.1250 9.1250 9.6417 9.6417 9.8890 9.8890 10.0357 10.0357 10.2009 10.2009 11.0130 11.0130 11.5720 11.5720 12.1639 12.1639 12.3070 12.3070 k =-0.1905 0.4364 0.8928 ( 3267 PWs) bands (ev): -17.0372 -17.0372 -3.9954 -3.9954 -2.2865 -2.2865 -1.6791 -1.6791 0.0553 0.0553 0.5256 0.5256 5.7050 5.7050 6.0853 6.0853 7.2485 7.2485 7.4394 7.4394 7.5064 7.5064 7.7652 7.7652 9.1058 9.1058 9.1537 9.1537 9.6651 9.6651 9.8835 9.8835 10.0155 10.0155 10.2086 10.2086 11.0395 11.0395 11.6620 11.6620 12.1713 12.1713 12.3561 12.3561 k =-0.1964 0.4500 0.8779 ( 3271 PWs) bands (ev): -17.0399 -17.0399 -3.9962 -3.9962 -2.2893 -2.2893 -1.6625 -1.6625 0.0383 0.0383 0.5271 0.5271 5.7038 5.7038 6.1126 6.1126 7.2545 7.2545 7.4339 7.4339 7.5151 7.5151 7.7545 7.7545 9.1153 9.1153 9.1833 9.1833 9.6871 9.6871 9.8761 9.8761 9.9942 9.9942 10.2173 10.2173 11.0679 11.0679 11.7541 11.7541 12.1719 12.1719 12.4065 12.4065 k =-0.2024 0.4637 0.8630 ( 3271 PWs) bands (ev): -17.0425 -17.0425 -3.9970 -3.9970 -2.2922 -2.2922 -1.6458 -1.6458 0.0225 0.0225 0.5284 0.5284 5.7020 5.7020 6.1371 6.1371 7.2624 7.2624 7.4295 7.4295 7.5230 7.5230 7.7438 7.7438 9.1253 9.1253 9.2134 9.2134 9.7072 9.7072 9.8674 9.8674 9.9719 9.9719 10.2266 10.2266 11.0984 11.0984 11.8477 11.8477 12.1660 12.1660 12.4579 12.4579 k =-0.2083 0.4773 0.8482 ( 3265 PWs) bands (ev): -17.0449 -17.0449 -3.9980 -3.9980 -2.2953 -2.2953 -1.6293 -1.6293 0.0077 0.0077 0.5295 0.5295 5.6997 5.6997 6.1588 6.1588 7.2723 7.2723 7.4261 7.4261 7.5299 7.5299 7.7327 7.7327 9.1357 9.1357 9.2439 9.2439 9.7247 9.7247 9.8582 9.8582 9.9487 9.9487 10.2362 10.2362 11.1312 11.1312 11.9424 11.9424 12.1544 12.1544 12.5098 12.5098 k =-0.2143 0.4910 0.8333 ( 3257 PWs) bands (ev): -17.0472 -17.0472 -3.9991 -3.9991 -2.2984 -2.2984 -1.6133 -1.6133 -0.0059 -0.0059 0.5304 0.5304 5.6969 5.6969 6.1778 6.1778 7.2841 7.2841 7.4238 7.4238 7.5357 7.5357 7.7211 7.7211 9.1464 9.1464 9.2747 9.2747 9.7386 9.7386 9.8494 9.8494 9.9250 9.9250 10.2458 10.2458 11.1662 11.1662 12.0370 12.0370 12.1386 12.1386 12.5621 12.5621 k =-0.2202 0.5046 0.8184 ( 3257 PWs) bands (ev): -17.0493 -17.0493 -4.0001 -4.0001 -2.3014 -2.3014 -1.5981 -1.5981 -0.0183 -0.0183 0.5312 0.5312 5.6938 5.6938 6.1940 6.1940 7.2976 7.2976 7.4223 7.4223 7.5406 7.5406 7.7089 7.7089 9.1573 9.1573 9.3058 9.3058 9.7478 9.7478 9.8417 9.8417 9.9015 9.9015 10.2550 10.2550 11.2034 11.2034 12.1105 12.1105 12.1402 12.1402 12.6143 12.6143 k =-0.2262 0.5182 0.8035 ( 3257 PWs) bands (ev): -17.0512 -17.0512 -4.0011 -4.0011 -2.3044 -2.3044 -1.5838 -1.5838 -0.0295 -0.0295 0.5317 0.5317 5.6905 5.6905 6.2078 6.2078 7.3127 7.3127 7.4217 7.4217 7.5446 7.5446 7.6961 7.6961 9.1681 9.1681 9.3370 9.3370 9.7515 9.7515 9.8345 9.8345 9.8800 9.8800 10.2637 10.2637 11.2423 11.2423 12.0942 12.0942 12.2278 12.2278 12.6663 12.6663 k =-0.2321 0.5319 0.7886 ( 3261 PWs) bands (ev): -17.0529 -17.0529 -4.0021 -4.0021 -2.3071 -2.3071 -1.5706 -1.5706 -0.0394 -0.0394 0.5322 0.5322 5.6872 5.6872 6.2193 6.2193 7.3290 7.3290 7.4217 7.4217 7.5476 7.5476 7.6828 7.6828 9.1786 9.1786 9.3682 9.3682 9.7497 9.7497 9.8232 9.8232 9.8655 9.8655 10.2717 10.2717 11.2824 11.2824 12.0723 12.0723 12.3170 12.3170 12.7178 12.7178 k =-0.2381 0.5455 0.7738 ( 3269 PWs) bands (ev): -17.0544 -17.0544 -4.0031 -4.0031 -2.3096 -2.3096 -1.5588 -1.5588 -0.0480 -0.0480 0.5326 0.5326 5.6840 5.6840 6.2286 6.2286 7.3460 7.3460 7.4222 7.4222 7.5498 7.5498 7.6691 7.6691 9.1885 9.1885 9.3993 9.3993 9.7439 9.7439 9.8039 9.8039 9.8610 9.8610 10.2788 10.2788 11.3227 11.3227 12.0506 12.0506 12.4009 12.4009 12.7686 12.7686 k =-0.2441 0.5591 0.7589 ( 3267 PWs) bands (ev): -17.0556 -17.0556 -4.0039 -4.0039 -2.3117 -2.3117 -1.5485 -1.5485 -0.0554 -0.0554 0.5328 0.5328 5.6811 5.6811 6.2361 6.2361 7.3633 7.3633 7.4230 7.4230 7.5513 7.5513 7.6554 7.6554 9.1978 9.1978 9.4301 9.4301 9.7357 9.7357 9.7805 9.7805 9.8620 9.8620 10.2850 10.2850 11.3620 11.3620 12.0302 12.0302 12.4767 12.4767 12.7738 12.7738 k =-0.2500 0.5728 0.7440 ( 3265 PWs) bands (ev): -17.0567 -17.0567 -4.0046 -4.0046 -2.3136 -2.3136 -1.5399 -1.5399 -0.0614 -0.0614 0.5330 0.5330 5.6785 5.6785 6.2420 6.2420 7.3800 7.3800 7.4239 7.4239 7.5520 7.5520 7.6423 7.6423 9.2059 9.2059 9.4602 9.4602 9.7254 9.7254 9.7573 9.7573 9.8647 9.8647 10.2902 10.2902 11.3987 11.3987 12.0120 12.0120 12.5415 12.5415 12.7333 12.7333 k =-0.2560 0.5864 0.7291 ( 3267 PWs) bands (ev): -17.0575 -17.0575 -4.0052 -4.0052 -2.3150 -2.3150 -1.5331 -1.5331 -0.0661 -0.0661 0.5332 0.5332 5.6763 5.6763 6.2463 6.2463 7.3953 7.3953 7.4248 7.4248 7.5520 7.5520 7.6303 7.6303 9.2126 9.2126 9.4889 9.4889 9.7111 9.7111 9.7389 9.7389 9.8674 9.8674 10.2942 10.2942 11.4308 11.4308 11.9966 11.9966 12.5927 12.5927 12.6985 12.6985 k =-0.2619 0.6001 0.7142 ( 3269 PWs) bands (ev): -17.0581 -17.0581 -4.0056 -4.0056 -2.3161 -2.3161 -1.5281 -1.5281 -0.0695 -0.0695 0.5333 0.5333 5.6748 5.6748 6.2493 6.2493 7.4080 7.4080 7.4255 7.4255 7.5514 7.5514 7.6207 7.6207 9.2176 9.2176 9.5146 9.5146 9.6924 9.6924 9.7284 9.7284 9.8696 9.8696 10.2972 10.2972 11.4560 11.4560 11.9849 11.9849 12.6281 12.6281 12.6730 12.6730 k =-0.2679 0.6137 0.6994 ( 3266 PWs) bands (ev): -17.0585 -17.0585 -4.0058 -4.0058 -2.3167 -2.3167 -1.5251 -1.5251 -0.0715 -0.0715 0.5333 0.5333 5.6738 5.6738 6.2510 6.2510 7.4166 7.4166 7.4260 7.4260 7.5507 7.5507 7.6144 7.6144 9.2207 9.2207 9.5345 9.5345 9.6754 9.6754 9.7232 9.7232 9.8710 9.8710 10.2990 10.2990 11.4723 11.4723 11.9775 11.9775 12.6419 12.6419 12.6643 12.6643 k =-0.2738 0.6273 0.6845 ( 3266 PWs) bands (ev): -17.0586 -17.0586 -4.0059 -4.0059 -2.3170 -2.3170 -1.5241 -1.5241 -0.0721 -0.0721 0.5333 0.5333 5.6735 5.6735 6.2515 6.2515 7.4196 7.4196 7.4261 7.4261 7.5504 7.5504 7.6122 7.6122 9.2216 9.2216 9.5427 9.5427 9.6681 9.6681 9.7217 9.7217 9.8715 9.8715 10.2995 10.2995 11.4779 11.4779 11.9748 11.9748 12.6407 12.6407 12.6670 12.6670 k =-0.2738 0.6273 0.6845 ( 3266 PWs) bands (ev): -17.0586 -17.0586 -4.0059 -4.0059 -2.3170 -2.3170 -1.5241 -1.5241 -0.0721 -0.0721 0.5333 0.5333 5.6735 5.6735 6.2515 6.2515 7.4196 7.4196 7.4261 7.4261 7.5504 7.5504 7.6122 7.6122 9.2216 9.2216 9.5427 9.5427 9.6681 9.6681 9.7217 9.7217 9.8715 9.8715 10.2995 10.2995 11.4779 11.4779 11.9748 11.9748 12.6407 12.6407 12.6670 12.6670 k =-0.2677 0.6134 0.6693 ( 3264 PWs) bands (ev): -17.0577 -17.0577 -4.0104 -4.0104 -2.3168 -2.3168 -1.5171 -1.5171 -0.0529 -0.0529 0.5058 0.5058 5.6712 5.6712 6.2679 6.2679 7.4100 7.4100 7.4343 7.4343 7.5476 7.5476 7.6040 7.6040 9.2685 9.2685 9.5361 9.5361 9.6296 9.6296 9.7026 9.7026 9.8737 9.8737 10.2825 10.2825 11.4255 11.4255 11.9811 11.9811 12.6735 12.6735 12.7315 12.7315 k =-0.2616 0.5995 0.6541 ( 3264 PWs) bands (ev): -17.0570 -17.0570 -4.0137 -4.0137 -2.3165 -2.3165 -1.5113 -1.5113 -0.0320 -0.0320 0.4755 0.4755 5.6730 5.6730 6.2865 6.2865 7.3946 7.3946 7.4489 7.4489 7.5402 7.5402 7.5936 7.5936 9.3155 9.3155 9.5198 9.5198 9.6033 9.6033 9.6859 9.6859 9.8789 9.8789 10.2670 10.2670 11.3751 11.3751 11.9890 11.9890 12.6889 12.6889 12.8139 12.8139 k =-0.2556 0.5855 0.6389 ( 3270 PWs) bands (ev): -17.0566 -17.0566 -4.0156 -4.0156 -2.3159 -2.3159 -1.5067 -1.5067 -0.0095 -0.0095 0.4426 0.4426 5.6791 5.6791 6.3070 6.3070 7.3800 7.3800 7.4637 7.4637 7.5279 7.5279 7.5815 7.5815 9.3627 9.3627 9.4884 9.4884 9.5951 9.5951 9.6719 9.6719 9.8869 9.8869 10.2533 10.2533 11.3270 11.3270 11.9986 11.9986 12.7025 12.7025 12.8338 12.8338 k =-0.2495 0.5716 0.6236 ( 3274 PWs) bands (ev): -17.0565 -17.0565 -4.0163 -4.0163 -2.3151 -2.3151 -1.5034 -1.5034 0.0146 0.0146 0.4072 0.4072 5.6891 5.6891 6.3295 6.3295 7.3660 7.3660 7.4783 7.4783 7.5103 7.5103 7.5680 7.5680 9.4097 9.4097 9.4479 9.4479 9.5994 9.5994 9.6607 9.6607 9.8974 9.8974 10.2413 10.2413 11.2813 11.2813 12.0101 12.0101 12.7143 12.7143 12.7816 12.7816 k =-0.2434 0.5576 0.6084 ( 3266 PWs) bands (ev): -17.0567 -17.0567 -4.0155 -4.0155 -2.3141 -2.3141 -1.5013 -1.5013 0.0403 0.0403 0.3696 0.3696 5.7032 5.7032 6.3539 6.3539 7.3528 7.3528 7.4854 7.4854 7.4948 7.4948 7.5537 7.5537 9.4034 9.4034 9.4570 9.4570 9.6108 9.6108 9.6525 9.6525 9.9102 9.9102 10.2312 10.2312 11.2380 11.2380 12.0236 12.0236 12.7118 12.7118 12.7423 12.7423 k =-0.2373 0.5437 0.5932 ( 3268 PWs) bands (ev): -17.0572 -17.0572 -4.0134 -4.0134 -2.3127 -2.3127 -1.5005 -1.5005 0.0673 0.0673 0.3299 0.3299 5.7210 5.7210 6.3802 6.3802 7.3403 7.3403 7.4576 7.4576 7.5083 7.5083 7.5389 7.5389 9.3581 9.3581 9.5025 9.5025 9.6268 9.6268 9.6483 9.6483 9.9249 9.9249 10.2230 10.2230 11.1974 11.1974 12.0392 12.0392 12.6657 12.6657 12.7459 12.7459 k =-0.2312 0.5297 0.5780 ( 3268 PWs) bands (ev): -17.0579 -17.0579 -4.0100 -4.0100 -2.3111 -2.3111 -1.5010 -1.5010 0.0957 0.0957 0.2882 0.2882 5.7423 5.7423 6.4082 6.4082 7.3286 7.3286 7.4238 7.4238 7.5191 7.5191 7.5272 7.5272 9.3125 9.3125 9.5454 9.5454 9.6433 9.6433 9.6527 9.6527 9.9413 9.9413 10.2166 10.2166 11.1594 11.1594 12.0570 12.0570 12.6119 12.6119 12.7565 12.7565 k =-0.2251 0.5158 0.5628 ( 3268 PWs) bands (ev): -17.0589 -17.0589 -4.0053 -4.0053 -2.3092 -2.3092 -1.5026 -1.5026 0.1252 0.1252 0.2449 0.2449 5.7670 5.7670 6.4378 6.4378 7.3176 7.3176 7.3853 7.3853 7.5058 7.5058 7.5389 7.5389 9.2667 9.2667 9.5813 9.5813 9.6553 9.6553 9.6744 9.6744 9.9590 9.9590 10.2121 10.2121 11.1243 11.1243 12.0771 12.0771 12.5576 12.5576 12.7677 12.7677 k =-0.2191 0.5019 0.5476 ( 3260 PWs) bands (ev): -17.0601 -17.0601 -3.9993 -3.9993 -2.3069 -2.3069 -1.5053 -1.5053 0.1553 0.1553 0.2006 0.2006 5.7949 5.7949 6.4691 6.4691 7.3071 7.3071 7.3432 7.3432 7.4891 7.4891 7.5534 7.5534 9.2213 9.2213 9.6039 9.6039 9.6789 9.6789 9.7028 9.7028 9.9777 9.9777 10.2097 10.2097 11.0923 11.0923 12.0995 12.0995 12.5035 12.5035 12.7789 12.7789 k =-0.2130 0.4879 0.5324 ( 3262 PWs) bands (ev): -17.0616 -17.0616 -3.9922 -3.9922 -2.3041 -2.3041 -1.5091 -1.5091 0.1521 0.1521 0.1892 0.1892 5.8255 5.8255 6.5020 6.5020 7.2921 7.2921 7.3031 7.3031 7.4717 7.4717 7.5680 7.5680 9.1762 9.1762 9.6156 9.6156 9.7122 9.7122 9.7368 9.7368 9.9970 9.9970 10.2091 10.2091 11.0635 11.0635 12.1243 12.1243 12.4499 12.4499 12.7902 12.7902 k =-0.2069 0.4740 0.5172 ( 3262 PWs) bands (ev): -17.0634 -17.0634 -3.9838 -3.9838 -2.3008 -2.3008 -1.5138 -1.5138 0.1055 0.1055 0.2208 0.2208 5.8586 5.8586 6.5363 6.5363 7.2473 7.2473 7.2907 7.2907 7.4537 7.4537 7.5824 7.5824 9.1316 9.1316 9.6239 9.6239 9.7472 9.7472 9.7763 9.7763 10.0164 10.0164 10.2106 10.2106 11.0383 11.0383 12.1515 12.1515 12.3972 12.3972 12.8018 12.8018 k =-0.2008 0.4600 0.5020 ( 3266 PWs) bands (ev): -17.0654 -17.0654 -3.9745 -3.9745 -2.2970 -2.2970 -1.5193 -1.5193 0.0572 0.0572 0.2537 0.2537 5.8939 5.8939 6.5719 6.5719 7.1969 7.1969 7.2825 7.2825 7.4354 7.4354 7.5968 7.5968 9.0875 9.0875 9.6319 9.6319 9.7820 9.7820 9.8196 9.8196 10.0354 10.0354 10.2141 10.2141 11.0168 11.0168 12.1811 12.1811 12.3454 12.3454 12.8137 12.8137 k =-0.1947 0.4461 0.4867 ( 3270 PWs) bands (ev): -17.0676 -17.0676 -3.9642 -3.9642 -2.2925 -2.2925 -1.5256 -1.5256 0.0081 0.0081 0.2872 0.2872 5.9308 5.9308 6.6089 6.6089 7.1448 7.1448 7.2752 7.2752 7.4168 7.4168 7.6109 7.6109 9.0440 9.0440 9.6406 9.6406 9.8171 9.8171 9.8644 9.8644 10.0536 10.0536 10.2196 10.2196 10.9994 10.9994 12.2131 12.2131 12.2948 12.2948 12.8262 12.8262 k =-0.1886 0.4322 0.4715 ( 3272 PWs) bands (ev): -17.0700 -17.0700 -3.9530 -3.9530 -2.2873 -2.2873 -1.5325 -1.5325 -0.0416 -0.0416 0.3209 0.3209 5.9690 5.9690 6.6471 6.6471 7.0918 7.0918 7.2687 7.2687 7.3981 7.3981 7.6249 7.6249 9.0011 9.0011 9.6506 9.6506 9.8527 9.8527 9.9095 9.9095 10.0706 10.0706 10.2271 10.2271 10.9863 10.9863 12.2418 12.2418 12.2510 12.2510 12.8394 12.8394 k =-0.1825 0.4182 0.4563 ( 3268 PWs) bands (ev): -17.0726 -17.0726 -3.9411 -3.9411 -2.2814 -2.2814 -1.5399 -1.5399 -0.0918 -0.0918 0.3548 0.3548 6.0079 6.0079 6.6863 6.6863 7.0388 7.0388 7.2630 7.2630 7.3793 7.3793 7.6386 7.6386 8.9590 8.9590 9.6616 9.6616 9.8888 9.8888 9.9541 9.9541 10.0861 10.0861 10.2367 10.2367 10.9780 10.9780 12.1966 12.1966 12.2849 12.2849 12.8535 12.8535 k =-0.1765 0.4043 0.4411 ( 3260 PWs) bands (ev): -17.0754 -17.0754 -3.9285 -3.9285 -2.2746 -2.2746 -1.5477 -1.5477 -0.1422 -0.1422 0.3886 0.3886 6.0468 6.0468 6.7263 6.7263 6.9867 6.9867 7.2580 7.2580 7.3607 7.3607 7.6521 7.6521 8.9177 8.9177 9.6739 9.6739 9.9253 9.9253 9.9973 9.9973 10.1004 10.1004 10.2482 10.2482 10.9745 10.9745 12.1500 12.1500 12.3240 12.3240 12.8686 12.8686 k =-0.1704 0.3903 0.4259 ( 3262 PWs) bands (ev): -17.0783 -17.0783 -3.9155 -3.9155 -2.2669 -2.2669 -1.5558 -1.5558 -0.1927 -0.1927 0.4222 0.4222 6.0848 6.0848 6.7665 6.7665 6.9370 6.9370 7.2536 7.2536 7.3423 7.3423 7.6653 7.6653 8.8771 8.8771 9.6870 9.6870 9.9620 9.9620 10.0373 10.0373 10.1145 10.1145 10.2614 10.2614 10.9760 10.9760 12.1047 12.1047 12.3654 12.3654 12.8850 12.8850 k =-0.1643 0.3764 0.4107 ( 3258 PWs) bands (ev): -17.0814 -17.0814 -3.9021 -3.9021 -2.2582 -2.2582 -1.5640 -1.5640 -0.2432 -0.2432 0.4554 0.4554 6.1209 6.1209 6.8043 6.8043 6.8932 6.8932 7.2499 7.2499 7.3244 7.3244 7.6781 7.6781 8.8373 8.8373 9.7010 9.7010 9.9987 9.9987 10.0696 10.0696 10.1329 10.1329 10.2764 10.2764 10.9823 10.9823 12.0610 12.0610 12.4090 12.4090 12.9027 12.9027 k =-0.1582 0.3625 0.3955 ( 3260 PWs) bands (ev): -17.0847 -17.0847 -3.8885 -3.8885 -2.2486 -2.2486 -1.5723 -1.5723 -0.2935 -0.2935 0.4881 0.4881 6.1534 6.1534 6.8198 6.8198 6.8767 6.8767 7.2468 7.2468 7.3070 7.3070 7.6906 7.6906 8.7984 8.7984 9.7157 9.7157 10.0350 10.0350 10.0882 10.0882 10.1611 10.1611 10.2931 10.2931 10.9933 10.9933 12.0188 12.0188 12.4546 12.4546 12.9219 12.9219 k =-0.1521 0.3485 0.3803 ( 3266 PWs) bands (ev): -17.0880 -17.0880 -3.8748 -3.8748 -2.2378 -2.2378 -1.5805 -1.5805 -0.3435 -0.3435 0.5202 0.5202 6.1805 6.1805 6.7947 6.7947 6.9073 6.9073 7.2442 7.2442 7.2906 7.2906 7.7028 7.7028 8.7604 8.7604 9.7310 9.7310 10.0697 10.0697 10.0964 10.0964 10.1973 10.1973 10.3112 10.3112 11.0086 11.0086 11.9781 11.9781 12.5022 12.5022 12.9426 12.9426 k =-0.1460 0.3346 0.3651 ( 3266 PWs) bands (ev): -17.0914 -17.0914 -3.8611 -3.8611 -2.2261 -2.2261 -1.5885 -1.5885 -0.3931 -0.3931 0.5516 0.5516 6.1999 6.1999 6.7678 6.7678 6.9479 6.9479 7.2423 7.2423 7.2757 7.2757 7.7146 7.7146 8.7234 8.7234 9.7467 9.7467 10.0888 10.0888 10.1131 10.1131 10.2364 10.2364 10.3308 10.3308 11.0275 11.0275 11.9392 11.9392 12.5516 12.5516 12.9649 12.9649 k =-0.1399 0.3206 0.3498 ( 3270 PWs) bands (ev): -17.0949 -17.0949 -3.8476 -3.8476 -2.2132 -2.2132 -1.5962 -1.5962 -0.4422 -0.4422 0.5820 0.5820 6.2093 6.2093 6.7501 6.7501 6.9894 6.9894 7.2409 7.2409 7.2628 7.2628 7.7259 7.7259 8.6873 8.6873 9.7629 9.7629 10.0867 10.0867 10.1462 10.1462 10.2760 10.2760 10.3517 10.3517 11.0493 11.0493 11.9018 11.9018 12.6027 12.6027 12.9888 12.9888 k =-0.1339 0.3067 0.3346 ( 3260 PWs) bands (ev): -17.0984 -17.0984 -3.8343 -3.8343 -2.1993 -2.1993 -1.6034 -1.6034 -0.4907 -0.4907 0.6116 0.6116 6.2072 6.2072 6.7441 6.7441 7.0291 7.0291 7.2398 7.2398 7.2536 7.2536 7.7369 7.7369 8.6523 8.6523 9.7792 9.7792 10.0798 10.0798 10.1807 10.1807 10.3150 10.3150 10.3740 10.3740 11.0732 11.0733 11.8662 11.8662 12.6552 12.6552 13.0142 13.0142 k =-0.1278 0.2928 0.3194 ( 3262 PWs) bands (ev): -17.1020 -17.1020 -3.8214 -3.8214 -2.1844 -2.1844 -1.6101 -1.6101 -0.5385 -0.5385 0.6400 0.6400 6.1934 6.1934 6.7501 6.7501 7.0642 7.0642 7.2385 7.2385 7.2509 7.2509 7.7473 7.7473 8.6183 8.6183 9.7956 9.7956 10.0702 10.0702 10.2148 10.2148 10.3528 10.3528 10.3979 10.3979 11.0985 11.0985 11.8322 11.8322 12.7090 12.7090 13.0410 13.0410 k =-0.1217 0.2788 0.3042 ( 3262 PWs) bands (ev): -17.1055 -17.1055 -3.8090 -3.8090 -2.1687 -2.1687 -1.6161 -1.6161 -0.5855 -0.5855 0.6674 0.6674 6.1696 6.1696 6.7666 6.7666 7.0907 7.0907 7.2379 7.2379 7.2577 7.2577 7.7574 7.7574 8.5855 8.5855 9.8118 9.8118 10.0589 10.0589 10.2481 10.2481 10.3885 10.3885 10.4236 10.4236 11.1240 11.1240 11.7998 11.7998 12.7638 12.7638 13.0691 13.0691 k =-0.1156 0.2649 0.2890 ( 3264 PWs) bands (ev): -17.1090 -17.1090 -3.7971 -3.7971 -2.1521 -2.1521 -1.6213 -1.6213 -0.6318 -0.6318 0.6935 0.6935 6.1383 6.1383 6.7911 6.7911 7.1052 7.1052 7.2382 7.2382 7.2769 7.2769 7.7670 7.7670 8.5538 8.5538 9.8278 9.8278 10.0462 10.0462 10.2805 10.2805 10.4213 10.4213 10.4519 10.4519 11.1489 11.1489 11.7690 11.7690 12.8193 12.8193 13.0982 13.0982 k =-0.1095 0.2509 0.2738 ( 3264 PWs) bands (ev): -17.1125 -17.1125 -3.7858 -3.7858 -2.1349 -2.1349 -1.6254 -1.6254 -0.6771 -0.6771 0.7184 0.7184 6.1017 6.1017 6.8213 6.8213 7.1087 7.1087 7.2391 7.2391 7.3076 7.3076 7.7761 7.7761 8.5233 8.5233 9.8434 9.8434 10.0327 10.0327 10.3118 10.3118 10.4510 10.4510 10.4826 10.4826 11.1724 11.1724 11.7398 11.7398 12.8754 12.8754 13.1281 13.1281 k =-0.1034 0.2370 0.2586 ( 3264 PWs) bands (ev): -17.1160 -17.1160 -3.7752 -3.7752 -2.1172 -2.1172 -1.6284 -1.6284 -0.7216 -0.7216 0.7420 0.7420 6.0620 6.0620 6.8552 6.8552 7.1052 7.1052 7.2402 7.2402 7.3459 7.3459 7.7847 7.7847 8.4940 8.4940 9.8583 9.8583 10.0188 10.0188 10.3419 10.3419 10.4786 10.4786 10.5147 10.5147 11.1935 11.1935 11.7122 11.7122 12.9318 12.9318 13.1584 13.1584 k =-0.0974 0.2231 0.2434 ( 3256 PWs) bands (ev): -17.1193 -17.1193 -3.7653 -3.7653 -2.0994 -2.0994 -1.6299 -1.6299 -0.7651 -0.7651 0.7643 0.7643 6.0206 6.0206 6.8910 6.8910 7.0982 7.0982 7.2417 7.2417 7.3880 7.3880 7.7928 7.7928 8.4661 8.4661 9.8723 9.8723 10.0049 10.0049 10.3709 10.3709 10.5053 10.5053 10.5470 10.5470 11.2115 11.2115 11.6863 11.6863 12.9880 12.9880 13.1885 13.1885 k =-0.0913 0.2091 0.2282 ( 3252 PWs) bands (ev): -17.1226 -17.1226 -3.7561 -3.7561 -2.0815 -2.0815 -1.6300 -1.6300 -0.8076 -0.8076 0.7853 0.7853 5.9787 5.9787 6.9275 6.9275 7.0897 7.0897 7.2433 7.2433 7.4320 7.4320 7.8005 7.8005 8.4395 8.4395 9.8850 9.8850 9.9914 9.9914 10.3984 10.3984 10.5316 10.5316 10.5786 10.5786 11.2257 11.2257 11.6618 11.6618 13.0438 13.0438 13.2181 13.2181 k =-0.0852 0.1952 0.2130 ( 3248 PWs) bands (ev): -17.1258 -17.1258 -3.7476 -3.7476 -2.0640 -2.0640 -1.6282 -1.6282 -0.8492 -0.8492 0.8049 0.8049 5.9371 5.9371 6.9637 6.9637 7.0808 7.0808 7.2452 7.2452 7.4763 7.4763 7.8076 7.8076 8.4142 8.4142 9.8958 9.8958 9.9791 9.9791 10.4245 10.4245 10.5576 10.5576 10.6092 10.6092 11.2356 11.2356 11.6390 11.6390 13.0988 13.0988 13.2460 13.2461 k =-0.0791 0.1812 0.1977 ( 3247 PWs) bands (ev): -17.1288 -17.1288 -3.7399 -3.7399 -2.0471 -2.0471 -1.6245 -1.6245 -0.8898 -0.8898 0.8231 0.8231 5.8965 5.8965 6.9985 6.9985 7.0726 7.0726 7.2471 7.2471 7.5203 7.5203 7.8142 7.8142 8.3904 8.3904 9.9035 9.9035 9.9691 9.9691 10.4490 10.4490 10.5836 10.5836 10.6385 10.6385 11.2412 11.2412 11.6175 11.6175 13.1525 13.1525 13.2537 13.2537 k =-0.0730 0.1673 0.1825 ( 3251 PWs) bands (ev): -17.1316 -17.1316 -3.7329 -3.7329 -2.0311 -2.0311 -1.6186 -1.6186 -0.9293 -0.9293 0.8399 0.8399 5.8573 5.8573 7.0285 7.0285 7.0682 7.0682 7.2492 7.2492 7.5632 7.5632 7.8203 7.8203 8.3681 8.3681 9.9066 9.9066 9.9632 9.9632 10.4717 10.4717 10.6094 10.6094 10.6664 10.6664 11.2423 11.2423 11.5975 11.5975 13.2042 13.2042 13.2451 13.2451 k =-0.0669 0.1533 0.1673 ( 3247 PWs) bands (ev): -17.1343 -17.1343 -3.7266 -3.7266 -2.0162 -2.0162 -1.6105 -1.6105 -0.9679 -0.9679 0.8553 0.8553 5.8200 5.8200 7.0409 7.0409 7.0804 7.0804 7.2514 7.2514 7.6047 7.6047 7.8259 7.8259 8.3473 8.3473 9.9040 9.9040 9.9625 9.9625 10.4927 10.4927 10.6350 10.6350 10.6929 10.6929 11.2395 11.2395 11.5791 11.5791 13.2428 13.2428 13.2581 13.2581 k =-0.0608 0.1394 0.1521 ( 3255 PWs) bands (ev): -17.1369 -17.1369 -3.7210 -3.7210 -2.0028 -2.0028 -1.5999 -1.5999 -1.0054 -1.0054 0.8694 0.8694 5.7849 5.7849 7.0373 7.0373 7.1070 7.1070 7.2536 7.2536 7.6441 7.6441 7.8310 7.8310 8.3281 8.3281 9.8971 9.8971 9.9656 9.9656 10.5118 10.5118 10.6601 10.6601 10.7177 10.7177 11.2332 11.2332 11.5620 11.5620 13.2563 13.2563 13.3038 13.3038 k =-0.0548 0.1255 0.1369 ( 3255 PWs) bands (ev): -17.1392 -17.1392 -3.7161 -3.7161 -1.9908 -1.9908 -1.5871 -1.5871 -1.0419 -1.0419 0.8820 0.8820 5.7523 5.7523 7.0310 7.0310 7.1348 7.1348 7.2558 7.2558 7.6812 7.6812 7.8356 7.8356 8.3105 8.3105 9.8883 9.8883 9.9704 9.9704 10.5291 10.5291 10.6844 10.6844 10.7409 10.7409 11.2242 11.2242 11.5465 11.5465 13.2773 13.2773 13.3473 13.3473 k =-0.0487 0.1115 0.1217 ( 3251 PWs) bands (ev): -17.1413 -17.1413 -3.7118 -3.7118 -1.9805 -1.9805 -1.5720 -1.5720 -1.0773 -1.0773 0.8933 0.8933 5.7225 5.7225 7.0245 7.0245 7.1610 7.1610 7.2580 7.2580 7.7155 7.7155 7.8397 7.8397 8.2946 8.2946 9.8790 9.8790 9.9755 9.9755 10.5445 10.5445 10.7077 10.7077 10.7624 10.7624 11.2135 11.2135 11.5325 11.5325 13.3060 13.3060 13.3692 13.3692 k =-0.0426 0.0976 0.1065 ( 3249 PWs) bands (ev): -17.1432 -17.1432 -3.7081 -3.7081 -1.9718 -1.9718 -1.5549 -1.5549 -1.1116 -1.1116 0.9033 0.9033 5.6957 5.6957 7.0185 7.0185 7.1847 7.1847 7.2601 7.2601 7.7467 7.7467 7.8433 7.8433 8.2805 8.2805 9.8700 9.8700 9.9803 9.9803 10.5579 10.5579 10.7294 10.7294 10.7821 10.7821 11.2018 11.2018 11.5200 11.5200 13.3407 13.3407 13.3796 13.3796 k =-0.0365 0.0836 0.0913 ( 3251 PWs) bands (ev): -17.1449 -17.1449 -3.7050 -3.7050 -1.9646 -1.9646 -1.5361 -1.5361 -1.1445 -1.1445 0.9118 0.9118 5.6720 5.6720 7.0131 7.0131 7.2056 7.2056 7.2621 7.2621 7.7744 7.7744 7.8464 7.8464 8.2681 8.2681 9.8618 9.8618 9.9845 9.9845 10.5694 10.5694 10.7491 10.7491 10.7998 10.7998 11.1899 11.1899 11.5091 11.5091 13.3772 13.3772 13.3892 13.3892 k =-0.0304 0.0697 0.0761 ( 3251 PWs) bands (ev): -17.1463 -17.1463 -3.7024 -3.7024 -1.9588 -1.9588 -1.5161 -1.5161 -1.1760 -1.1760 0.9191 0.9191 5.6517 5.6517 7.0084 7.0084 7.2234 7.2234 7.2640 7.2640 7.7985 7.7985 7.8490 7.8490 8.2576 8.2576 9.8545 9.8545 9.9881 9.9881 10.5790 10.5790 10.7664 10.7664 10.8156 10.8156 11.1787 11.1787 11.4997 11.4997 13.3890 13.3890 13.4228 13.4228 k =-0.0243 0.0558 0.0608 ( 3249 PWs) bands (ev): -17.1475 -17.1475 -3.7003 -3.7003 -1.9544 -1.9544 -1.4956 -1.4956 -1.2055 -1.2055 0.9250 0.9250 5.6349 5.6349 7.0046 7.0046 7.2378 7.2378 7.2660 7.2660 7.8185 7.8185 7.8512 7.8512 8.2489 8.2489 9.8483 9.8483 9.9909 9.9909 10.5868 10.5868 10.7809 10.7809 10.8292 10.8292 11.1687 11.1687 11.4921 11.4921 13.3917 13.3917 13.4624 13.4624 k =-0.0183 0.0418 0.0456 ( 3253 PWs) bands (ev): -17.1484 -17.1484 -3.6987 -3.6987 -1.9510 -1.9510 -1.4755 -1.4755 -1.2322 -1.2322 0.9296 0.9296 5.6217 5.6217 7.0015 7.0015 7.2485 7.2485 7.2681 7.2681 7.8343 7.8343 7.8528 7.8528 8.2421 8.2421 9.8435 9.8435 9.9931 9.9931 10.5927 10.5927 10.7924 10.7924 10.8402 10.8402 11.1605 11.1605 11.4861 11.4861 13.3928 13.3928 13.4977 13.4977 k =-0.0122 0.0279 0.0304 ( 3257 PWs) bands (ev): -17.1490 -17.1490 -3.6976 -3.6976 -1.9487 -1.9487 -1.4576 -1.4576 -1.2548 -1.2548 0.9328 0.9328 5.6122 5.6122 6.9993 6.9993 7.2553 7.2553 7.2706 7.2706 7.8457 7.8457 7.8541 7.8541 8.2373 8.2373 9.8399 9.8399 9.9945 9.9945 10.5970 10.5970 10.8006 10.8006 10.8484 10.8484 11.1544 11.1544 11.4816 11.4816 13.3930 13.3930 13.5244 13.5244 k =-0.0061 0.0139 0.0152 ( 3253 PWs) bands (ev): -17.1494 -17.1494 -3.6969 -3.6969 -1.9474 -1.9474 -1.4444 -1.4444 -1.2707 -1.2707 0.9348 0.9348 5.6065 5.6065 6.9980 6.9980 7.2586 7.2586 7.2728 7.2728 7.8524 7.8524 7.8550 7.8550 8.2346 8.2346 9.8378 9.8378 9.9954 9.9954 10.5996 10.5996 10.8056 10.8056 10.8535 10.8535 11.1506 11.1506 11.4788 11.4788 13.3929 13.3929 13.5398 13.5398 k = 0.0000 0.0000 0.0000 ( 3249 PWs) bands (ev): -17.1496 -17.1496 -3.6967 -3.6967 -1.9469 -1.9469 -1.4394 -1.4394 -1.2766 -1.2766 0.9355 0.9355 5.6046 5.6046 6.9976 6.9976 7.2596 7.2596 7.2737 7.2737 7.8542 7.8542 7.8557 7.8557 8.2337 8.2337 9.8371 9.8371 9.9957 9.9957 10.6004 10.6004 10.8073 10.8073 10.8552 10.8552 11.1494 11.1494 11.4779 11.4779 13.3929 13.3929 13.5447 13.5447 k = 0.0000 0.0000 0.0000 ( 3249 PWs) bands (ev): -17.1496 -17.1496 -3.6967 -3.6967 -1.9469 -1.9469 -1.4394 -1.4394 -1.2766 -1.2766 0.9355 0.9355 5.6046 5.6046 6.9976 6.9976 7.2596 7.2596 7.2737 7.2737 7.8542 7.8542 7.8557 7.8557 8.2337 8.2337 9.8371 9.8371 9.9957 9.9957 10.6004 10.6004 10.8073 10.8073 10.8552 10.8552 11.1494 11.1494 11.4779 11.4779 13.3929 13.3929 13.5447 13.5447 k = 0.0192 0.0084-0.0000 ( 3249 PWs) bands (ev): -17.1496 -17.1496 -3.6970 -3.6970 -1.9491 -1.9491 -1.4394 -1.4394 -1.2727 -1.2727 0.9338 0.9338 5.6062 5.6062 6.9966 6.9966 7.2588 7.2588 7.2728 7.2728 7.8550 7.8550 7.8566 7.8566 8.2337 8.2337 9.8375 9.8375 9.9932 9.9932 10.6011 10.6011 10.8079 10.8079 10.8559 10.8559 11.1524 11.1524 11.4779 11.4779 13.3746 13.3746 13.5435 13.5435 k = 0.0385 0.0168-0.0000 ( 3257 PWs) bands (ev): -17.1496 -17.1496 -3.6978 -3.6978 -1.9554 -1.9554 -1.4394 -1.4394 -1.2614 -1.2614 0.9290 0.9290 5.6109 5.6109 6.9936 6.9936 7.2565 7.2565 7.2703 7.2703 7.8573 7.8573 7.8593 7.8593 8.2336 8.2336 9.8384 9.8384 9.9860 9.9860 10.6027 10.6027 10.8098 10.8098 10.8580 10.8580 11.1615 11.1615 11.4779 11.4779 13.3225 13.3225 13.5400 13.5400 k = 0.0577 0.0252-0.0000 ( 3257 PWs) bands (ev): -17.1496 -17.1496 -3.6993 -3.6993 -1.9654 -1.9654 -1.4394 -1.4394 -1.2430 -1.2430 0.9209 0.9209 5.6187 5.6187 6.9888 6.9888 7.2529 7.2529 7.2662 7.2662 7.8611 7.8611 7.8637 7.8637 8.2335 8.2335 9.8402 9.8402 9.9744 9.9744 10.6054 10.6054 10.8129 10.8129 10.8613 10.8613 11.1766 11.1766 11.4780 11.4780 13.2432 13.2432 13.5343 13.5343 k = 0.0769 0.0336-0.0000 ( 3257 PWs) bands (ev): -17.1495 -17.1495 -3.7012 -3.7012 -1.9785 -1.9785 -1.4394 -1.4394 -1.2183 -1.2183 0.9096 0.9096 5.6294 5.6294 6.9822 6.9822 7.2478 7.2478 7.2605 7.2605 7.8662 7.8662 7.8696 7.8696 8.2336 8.2336 9.8426 9.8426 9.9590 9.9590 10.6088 10.6088 10.8173 10.8173 10.8660 10.8660 11.1971 11.1971 11.4780 11.4780 13.1440 13.1440 13.5266 13.5266 k = 0.0962 0.0420-0.0000 ( 3257 PWs) bands (ev): -17.1495 -17.1495 -3.7036 -3.7036 -1.9938 -1.9938 -1.4393 -1.4393 -1.1879 -1.1879 0.8952 0.8952 5.6429 5.6429 6.9739 6.9739 7.2416 7.2416 7.2536 7.2536 7.8726 7.8726 7.8770 7.8770 8.2337 8.2337 9.8457 9.8457 9.9405 9.9405 10.6126 10.6126 10.8228 10.8228 10.8718 10.8718 11.2229 11.2229 11.4780 11.4780 13.0313 13.0313 13.5169 13.5169 k = 0.1154 0.0504-0.0000 ( 3257 PWs) bands (ev): -17.1495 -17.1495 -3.7065 -3.7065 -2.0109 -2.0109 -1.4393 -1.4393 -1.1528 -1.1528 0.8778 0.8778 5.6591 5.6591 6.9641 6.9641 7.2343 7.2343 7.2455 7.2455 7.8799 7.8799 7.8855 7.8855 8.2338 8.2338 9.8497 9.8497 9.9195 9.9195 10.6166 10.6166 10.8294 10.8294 10.8788 10.8788 11.2532 11.2532 11.4780 11.4780 12.9098 12.9098 13.5052 13.5052 k = 0.1346 0.0588-0.0000 ( 3257 PWs) bands (ev): -17.1495 -17.1495 -3.7099 -3.7099 -2.0290 -2.0290 -1.4392 -1.4392 -1.1135 -1.1135 0.8574 0.8574 5.6776 5.6776 6.9531 6.9531 7.2262 7.2262 7.2365 7.2365 7.8882 7.8882 7.8951 7.8951 8.2339 8.2339 9.8544 9.8544 9.8966 9.8966 10.6205 10.6205 10.8371 10.8371 10.8869 10.8869 11.2875 11.2875 11.4779 11.4779 12.7829 12.7829 13.4918 13.4918 k = 0.1538 0.0671-0.0000 ( 3257 PWs) bands (ev): -17.1494 -17.1494 -3.7136 -3.7136 -2.0475 -2.0475 -1.4392 -1.4392 -1.0708 -1.0708 0.8341 0.8341 5.6982 5.6982 6.9410 6.9410 7.2174 7.2174 7.2268 7.2268 7.8971 7.8971 7.9054 7.9054 8.2341 8.2341 9.8599 9.8599 9.8725 9.8725 10.6242 10.6242 10.8458 10.8458 10.8959 10.8959 11.3253 11.3253 11.4779 11.4779 12.6530 12.6530 13.4767 13.4767 k = 0.1731 0.0755-0.0000 ( 3257 PWs) bands (ev): -17.1494 -17.1494 -3.7176 -3.7176 -2.0662 -2.0662 -1.4391 -1.4391 -1.0251 -1.0251 0.8081 0.8081 5.7206 5.7206 6.9282 6.9282 7.2082 7.2082 7.2165 7.2165 7.9065 7.9065 7.9162 7.9162 8.2343 8.2343 9.8477 9.8477 9.8662 9.8662 10.6277 10.6277 10.8554 10.8554 10.9059 10.9059 11.3658 11.3658 11.4779 11.4779 12.5220 12.5220 13.4601 13.4601 k = 0.1923 0.0839-0.0000 ( 3257 PWs) bands (ev): -17.1494 -17.1494 -3.7219 -3.7219 -2.0846 -2.0846 -1.4391 -1.4391 -0.9769 -0.9769 0.7795 0.7795 5.7445 5.7445 6.9149 6.9149 7.1986 7.1986 7.2060 7.2060 7.9163 7.9163 7.9274 7.9274 8.2345 8.2345 9.8227 9.8227 9.8734 9.8734 10.6308 10.6308 10.8657 10.8657 10.9166 10.9166 11.4085 11.4085 11.4778 11.4778 12.3913 12.3913 13.4421 13.4422 k = 0.2115 0.0923-0.0000 ( 3253 PWs) bands (ev): -17.1493 -17.1493 -3.7263 -3.7263 -2.1024 -2.1024 -1.4390 -1.4390 -0.9267 -0.9267 0.7484 0.7484 5.7694 5.7694 6.9013 6.9013 7.1889 7.1889 7.1953 7.1953 7.9262 7.9262 7.9388 7.9388 8.2347 8.2347 9.7978 9.7978 9.8816 9.8816 10.6337 10.6337 10.8767 10.8767 10.9279 10.9279 11.4526 11.4526 11.4777 11.4777 12.2621 12.2621 13.4232 13.4232 k = 0.2308 0.1007-0.0000 ( 3253 PWs) bands (ev): -17.1493 -17.1493 -3.7309 -3.7309 -2.1196 -2.1196 -1.4389 -1.4389 -0.8748 -0.8748 0.7149 0.7149 5.7951 5.7951 6.8878 6.8878 7.1793 7.1793 7.1847 7.1847 7.9361 7.9361 7.9501 7.9501 8.2348 8.2348 9.7736 9.7736 9.8907 9.8907 10.6362 10.6362 10.8881 10.8881 10.9398 10.9398 11.4776 11.4776 11.4975 11.4975 12.1352 12.1352 13.4034 13.4035 k = 0.2500 0.1091-0.0000 ( 3261 PWs) bands (ev): -17.1493 -17.1493 -3.7356 -3.7356 -2.1358 -2.1358 -1.4388 -1.4388 -0.8215 -0.8215 0.6793 0.6793 5.8210 5.8210 6.8747 6.8747 7.1696 7.1696 7.1742 7.1742 7.9459 7.9459 7.9613 7.9613 8.2351 8.2351 9.7500 9.7500 9.9008 9.9008 10.6384 10.6384 10.8998 10.8998 10.9521 10.9521 11.4776 11.4776 11.5427 11.5427 12.0116 12.0116 13.3830 13.3831 k = 0.2692 0.1175-0.0000 ( 3249 PWs) bands (ev): -17.1492 -17.1492 -3.7403 -3.7403 -2.1511 -2.1511 -1.4388 -1.4388 -0.7671 -0.7671 0.6417 0.6417 5.8467 5.8467 6.8622 6.8622 7.1604 7.1604 7.1642 7.1642 7.9554 7.9554 7.9721 7.9721 8.2353 8.2353 9.7275 9.7275 9.9119 9.9119 10.6404 10.6404 10.9118 10.9118 10.9646 10.9646 11.4775 11.4775 11.5876 11.5876 11.8920 11.8920 13.3625 13.3626 k = 0.2885 0.1259-0.0000 ( 3253 PWs) bands (ev): -17.1492 -17.1492 -3.7448 -3.7448 -2.1653 -2.1653 -1.4387 -1.4387 -0.7120 -0.7120 0.6023 0.6023 5.8719 5.8719 6.8505 6.8505 7.1514 7.1514 7.1544 7.1544 7.9646 7.9646 7.9826 7.9826 8.2355 8.2355 9.7062 9.7062 9.9241 9.9241 10.6421 10.6421 10.9237 10.9237 10.9772 10.9772 11.4773 11.4773 11.6315 11.6315 11.7773 11.7773 13.3418 13.3420 k = 0.3077 0.1343-0.0000 ( 3245 PWs) bands (ev): -17.1492 -17.1492 -3.7493 -3.7493 -2.1783 -2.1783 -1.4386 -1.4386 -0.6565 -0.6565 0.5613 0.5613 5.8961 5.8961 6.8399 6.8399 7.1430 7.1430 7.1453 7.1453 7.9733 7.9733 7.9924 7.9924 8.2357 8.2357 9.6865 9.6865 9.9371 9.9371 10.6436 10.6436 10.9353 10.9353 10.9897 10.9897 11.4770 11.4770 11.6682 11.6682 11.6740 11.6740 13.3216 13.3217 k = 0.3269 0.1427-0.0000 ( 3246 PWs) bands (ev): -17.1491 -17.1491 -3.7535 -3.7535 -2.1901 -2.1901 -1.4386 -1.4386 -0.6009 -0.6009 0.5191 0.5191 5.9189 5.9189 6.8304 6.8304 7.1349 7.1349 7.1368 7.1368 7.9813 7.9813 8.0016 8.0016 8.2359 8.2359 9.6681 9.6681 9.9510 9.9510 10.6449 10.6449 10.9465 10.9465 11.0018 11.0018 11.4760 11.4760 11.5660 11.5660 11.7144 11.7144 13.3020 13.3023 k = 0.3462 0.1511-0.0000 ( 3258 PWs) bands (ev): -17.1491 -17.1491 -3.7575 -3.7575 -2.2008 -2.2008 -1.4385 -1.4385 -0.5457 -0.5457 0.4759 0.4759 5.9400 5.9400 6.8223 6.8223 7.1274 7.1274 7.1291 7.1291 7.9888 7.9888 8.0100 8.0100 8.2361 8.2361 9.6513 9.6513 9.9656 9.9656 10.6460 10.6460 10.9568 10.9568 11.0134 11.0134 11.4597 11.4597 11.4863 11.4863 11.7522 11.7522 13.2834 13.2835 k = 0.3654 0.1595-0.0000 ( 3258 PWs) bands (ev): -17.1491 -17.1491 -3.7611 -3.7611 -2.2102 -2.2102 -1.4385 -1.4385 -0.4912 -0.4912 0.4321 0.4321 5.9592 5.9592 6.8155 6.8155 7.1206 7.1206 7.1223 7.1223 7.9955 7.9955 8.0176 8.0176 8.2363 8.2363 9.6364 9.6364 9.9806 9.9806 10.6470 10.6470 10.9660 10.9660 11.0243 11.0243 11.3788 11.3788 11.4793 11.4793 11.7871 11.7871 13.2661 13.2663 k = 0.3846 0.1679-0.0000 ( 3266 PWs) bands (ev): -17.1490 -17.1490 -3.7644 -3.7644 -2.2183 -2.2183 -1.4384 -1.4384 -0.4382 -0.4382 0.3885 0.3885 5.9760 5.9760 6.8100 6.8100 7.1144 7.1144 7.1164 7.1164 8.0014 8.0014 8.0243 8.0243 8.2364 8.2364 9.6233 9.6233 9.9957 9.9957 10.6477 10.6477 10.9737 10.9737 11.0341 11.0341 11.3007 11.3007 11.4786 11.4786 11.8184 11.8184 13.2501 13.2510 k = 0.4038 0.1763-0.0000 ( 3274 PWs) bands (ev): -17.1490 -17.1490 -3.7673 -3.7673 -2.2252 -2.2252 -1.4384 -1.4384 -0.3875 -0.3875 0.3457 0.3457 5.9905 5.9905 6.8056 6.8056 7.1091 7.1091 7.1114 7.1114 8.0065 8.0065 8.0300 8.0300 8.2366 8.2366 9.6121 9.6121 10.0105 10.0105 10.6484 10.6484 10.9794 10.9794 11.0429 11.0429 11.2324 11.2324 11.4783 11.4783 11.8457 11.8457 13.2357 13.2364 k = 0.4231 0.1847-0.0000 ( 3266 PWs) bands (ev): -17.1490 -17.1490 -3.7696 -3.7696 -2.2309 -2.2309 -1.4383 -1.4383 -0.3402 -0.3402 0.3051 0.3051 6.0024 6.0024 6.8025 6.8025 7.1047 7.1047 7.1072 7.1072 8.0108 8.0108 8.0348 8.0348 8.2367 8.2367 9.6029 9.6029 10.0242 10.0242 10.6489 10.6489 10.9827 10.9827 11.0505 11.0505 11.1762 11.1762 11.4782 11.4782 11.8686 11.8686 13.2232 13.2241 k = 0.4423 0.1931-0.0000 ( 3266 PWs) bands (ev): -17.1490 -17.1490 -3.7715 -3.7715 -2.2353 -2.2353 -1.4383 -1.4383 -0.2983 -0.2983 0.2683 0.2683 6.0117 6.0117 6.8002 6.8002 7.1012 7.1012 7.1039 7.1039 8.0141 8.0141 8.0386 8.0386 8.2368 8.2368 9.5957 9.5957 10.0361 10.0361 10.6493 10.6493 10.9827 10.9827 11.0565 11.0565 11.1334 11.1334 11.4781 11.4781 11.8869 11.8869 13.2129 13.2132 k = 0.4615 0.2014-0.0000 ( 3254 PWs) bands (ev): -17.1490 -17.1490 -3.7729 -3.7729 -2.2384 -2.2384 -1.4383 -1.4383 -0.2643 -0.2643 0.2380 0.2380 6.0183 6.0183 6.7987 6.7987 7.0987 7.0987 7.1016 7.1016 8.0165 8.0165 8.0413 8.0413 8.2370 8.2370 9.5906 9.5906 10.0455 10.0455 10.6497 10.6497 10.9797 10.9797 11.0610 11.0610 11.1049 11.1049 11.4780 11.4780 11.9001 11.9001 13.2054 13.2055 k = 0.4808 0.2098-0.0000 ( 3238 PWs) bands (ev): -17.1490 -17.1490 -3.7737 -3.7737 -2.2403 -2.2403 -1.4383 -1.4383 -0.2416 -0.2416 0.2175 0.2175 6.0223 6.0223 6.7979 6.7979 7.0972 7.0972 7.1002 7.1002 8.0180 8.0180 8.0430 8.0430 8.2372 8.2372 9.5875 9.5875 10.0514 10.0514 10.6499 10.6499 10.9758 10.9758 11.0637 11.0637 11.0895 11.0895 11.4783 11.4783 11.9082 11.9082 13.2009 13.2009 k = 0.5000 0.2182-0.0000 ( 3218 PWs) bands (ev): -17.1490 -17.1490 -3.7740 -3.7740 -2.2409 -2.2409 -1.4382 -1.4382 -0.2336 -0.2336 0.2102 0.2102 6.0237 6.0237 6.7977 6.7977 7.0968 7.0968 7.0998 7.0998 8.0185 8.0185 8.0435 8.0435 8.2372 8.2372 9.5865 9.5865 10.0535 10.0535 10.6501 10.6501 10.9741 10.9741 11.0647 11.0647 11.0849 11.0849 11.4783 11.4783 11.9109 11.9109 13.1994 13.1994 k = 0.5000 0.2182-0.0000 ( 3218 PWs) bands (ev): -17.1490 -17.1490 -3.7740 -3.7740 -2.2409 -2.2409 -1.4382 -1.4382 -0.2336 -0.2336 0.2102 0.2102 6.0237 6.0237 6.7977 6.7977 7.0968 7.0968 7.0998 7.0998 8.0185 8.0185 8.0435 8.0435 8.2372 8.2372 9.5865 9.5865 10.0535 10.0535 10.6501 10.6501 10.9741 10.9741 11.0647 11.0647 11.0849 11.0849 11.4783 11.4783 11.9109 11.9109 13.1994 13.1994 k = 0.4940 0.2319 0.0149 ( 3234 PWs) bands (ev): -17.1488 -17.1488 -3.7740 -3.7740 -2.2409 -2.2409 -1.4396 -1.4396 -0.2337 -0.2337 0.2118 0.2118 6.0245 6.0245 6.7942 6.7942 7.0979 7.0979 7.1020 7.1020 8.0165 8.0165 8.0417 8.0417 8.2379 8.2379 9.5879 9.5879 10.0532 10.0532 10.6491 10.6491 10.9732 10.9732 11.0629 11.0629 11.0841 11.0841 11.4806 11.4806 11.9129 11.9129 13.1957 13.1957 k = 0.4881 0.2455 0.0298 ( 3254 PWs) bands (ev): -17.1485 -17.1485 -3.7741 -3.7741 -2.2408 -2.2408 -1.4436 -1.4436 -0.2340 -0.2340 0.2164 0.2164 6.0270 6.0270 6.7841 6.7841 7.0991 7.0991 7.1105 7.1105 8.0100 8.0100 8.0367 8.0367 8.2399 8.2399 9.5923 9.5923 10.0524 10.0524 10.6461 10.6461 10.9703 10.9703 11.0574 11.0574 11.0817 11.0817 11.4882 11.4882 11.9193 11.9193 13.1814 13.1814 k = 0.4821 0.2591 0.0446 ( 3254 PWs) bands (ev): -17.1478 -17.1478 -3.7743 -3.7743 -2.2406 -2.2406 -1.4503 -1.4503 -0.2344 -0.2344 0.2241 0.2241 6.0312 6.0312 6.7685 6.7685 7.1005 7.1005 7.1243 7.1243 7.9978 7.9978 8.0302 8.0302 8.2435 8.2435 9.5995 9.5995 10.0510 10.0510 10.6413 10.6413 10.9652 10.9652 11.0493 11.0493 11.0783 11.0783 11.5004 11.5004 11.9299 11.9299 13.1578 13.1578 k = 0.4762 0.2728 0.0595 ( 3254 PWs) bands (ev): -17.1469 -17.1469 -3.7745 -3.7745 -2.2405 -2.2405 -1.4592 -1.4592 -0.2350 -0.2350 0.2345 0.2345 6.0370 6.0370 6.7487 6.7487 7.1024 7.1024 7.1417 7.1417 7.9791 7.9791 8.0231 8.0231 8.2486 8.2486 9.6091 9.6091 10.0489 10.0489 10.6347 10.6347 10.9574 10.9574 11.0397 11.0397 11.0742 11.0742 11.5162 11.5162 11.9448 11.9448 13.1265 13.1265 k = 0.4702 0.2864 0.0744 ( 3254 PWs) bands (ev): -17.1458 -17.1458 -3.7749 -3.7749 -2.2403 -2.2403 -1.4704 -1.4704 -0.2355 -0.2355 0.2474 0.2474 6.0441 6.0441 6.7257 6.7257 7.1048 7.1048 7.1617 7.1617 7.9545 7.9545 8.0154 8.0154 8.2552 8.2552 9.6208 9.6208 10.0460 10.0460 10.6262 10.6262 10.9460 10.9460 11.0302 11.0302 11.0696 11.0696 11.5351 11.5351 11.9639 11.9639 13.0890 13.0890 k = 0.4643 0.3001 0.0893 ( 3250 PWs) bands (ev): -17.1445 -17.1445 -3.7754 -3.7754 -2.2402 -2.2402 -1.4834 -1.4834 -0.2361 -0.2361 0.2626 0.2626 6.0526 6.0526 6.7005 6.7005 7.1077 7.1077 7.1833 7.1833 7.9246 7.9246 8.0067 8.0067 8.2633 8.2633 9.6340 9.6340 10.0423 10.0423 10.6159 10.6159 10.9305 10.9305 11.0220 11.0220 11.0651 11.0651 11.5563 11.5563 11.9871 11.9871 13.0469 13.0469 k = 0.4583 0.3137 0.1042 ( 3254 PWs) bands (ev): -17.1429 -17.1429 -3.7761 -3.7761 -2.2401 -2.2401 -1.4979 -1.4979 -0.2365 -0.2365 0.2798 0.2798 6.0621 6.0621 6.6737 6.6737 7.1112 7.1112 7.2060 7.2060 7.8903 7.8903 7.9971 7.9971 8.2728 8.2728 9.6482 9.6482 10.0377 10.0377 10.6037 10.6037 10.9107 10.9107 11.0150 11.0150 11.0616 11.0616 11.5792 11.5792 12.0146 12.0146 13.0016 13.0016 k = 0.4524 0.3273 0.1190 ( 3270 PWs) bands (ev): -17.1411 -17.1411 -3.7771 -3.7771 -2.2402 -2.2402 -1.5135 -1.5135 -0.2367 -0.2367 0.2987 0.2987 6.0725 6.0725 6.6458 6.6458 7.1151 7.1151 7.2291 7.2291 7.8522 7.8522 7.9862 7.9862 8.2838 8.2838 9.6627 9.6627 10.0322 10.0322 10.5895 10.5895 10.8873 10.8873 11.0082 11.0082 11.0605 11.0605 11.6034 11.6034 12.0461 12.0461 12.9545 12.9545 k = 0.4464 0.3410 0.1339 ( 3272 PWs) bands (ev): -17.1390 -17.1390 -3.7784 -3.7784 -2.2405 -2.2405 -1.5299 -1.5299 -0.2368 -0.2368 0.3190 0.3190 6.0834 6.0834 6.6173 6.6173 7.1195 7.1195 7.2526 7.2526 7.8111 7.8111 7.9743 7.9743 8.2963 8.2963 9.6770 9.6770 10.0263 10.0263 10.5738 10.5738 10.8610 10.8610 11.0001 11.0001 11.0633 11.0633 11.6283 11.6283 12.0816 12.0816 12.9068 12.9069 k = 0.4405 0.3546 0.1488 ( 3276 PWs) bands (ev): -17.1368 -17.1368 -3.7801 -3.7801 -2.2411 -2.2411 -1.5466 -1.5466 -0.2366 -0.2366 0.3403 0.3403 6.0945 6.0945 6.5885 6.5885 7.1244 7.1244 7.2761 7.2761 7.7679 7.7679 7.9612 7.9612 8.3103 8.3103 9.6902 9.6902 10.0201 10.0201 10.5562 10.5562 10.8325 10.8325 10.9898 10.9898 11.0707 11.0707 11.6536 11.6536 12.1206 12.1206 12.8597 12.8597 k = 0.4345 0.3682 0.1637 ( 3276 PWs) bands (ev): -17.1344 -17.1344 -3.7822 -3.7822 -2.2419 -2.2419 -1.5633 -1.5633 -0.2362 -0.2362 0.3624 0.3624 6.1055 6.1055 6.5595 6.5595 7.1299 7.1299 7.2994 7.2994 7.7231 7.7231 7.9471 7.9471 8.3257 8.3257 9.7017 9.7017 10.0141 10.0141 10.5369 10.5369 10.8023 10.8023 10.9770 10.9770 11.0827 11.0827 11.6791 11.6791 12.1628 12.1628 12.8140 12.8140 k = 0.4286 0.3819 0.1786 ( 3272 PWs) bands (ev): -17.1318 -17.1318 -3.7847 -3.7847 -2.2431 -2.2431 -1.5796 -1.5796 -0.2355 -0.2355 0.3850 0.3850 6.1158 6.1158 6.5306 6.5306 7.1358 7.1358 7.3223 7.3223 7.6779 7.6779 7.9320 7.9320 8.3427 8.3427 9.7108 9.7108 10.0088 10.0088 10.5160 10.5160 10.7705 10.7705 10.9619 10.9619 11.0991 11.0991 11.7046 11.7046 12.2076 12.2076 12.7703 12.7703 k = 0.4226 0.3955 0.1934 ( 3268 PWs) bands (ev): -17.1291 -17.1291 -3.7879 -3.7879 -2.2447 -2.2447 -1.5950 -1.5950 -0.2346 -0.2346 0.4080 0.4080 6.1251 6.1251 6.5021 6.5021 7.1421 7.1421 7.3447 7.3447 7.6329 7.6329 7.9160 7.9160 8.3610 8.3610 9.7170 9.7170 10.0046 10.0046 10.4935 10.4935 10.7374 10.7374 10.9447 10.9447 11.1196 11.1196 11.7296 11.7296 12.2541 12.2541 12.7294 12.7294 k = 0.4167 0.4092 0.2083 ( 3252 PWs) bands (ev): -17.1262 -17.1262 -3.7916 -3.7916 -2.2468 -2.2468 -1.6094 -1.6094 -0.2334 -0.2334 0.4310 0.4310 6.1328 6.1328 6.4740 6.4740 7.1490 7.1490 7.3663 7.3663 7.5893 7.5893 7.8991 7.8991 8.3808 8.3808 9.7199 9.7199 10.0018 10.0018 10.4694 10.4694 10.7032 10.7032 10.9257 10.9257 11.1440 11.1440 11.7540 11.7540 12.3012 12.3012 12.6915 12.6915 k = 0.4107 0.4228 0.2232 ( 3256 PWs) bands (ev): -17.1231 -17.1231 -3.7960 -3.7960 -2.2494 -2.2494 -1.6223 -1.6223 -0.2319 -0.2319 0.4537 0.4537 6.1382 6.1382 6.4466 6.4466 7.1562 7.1562 7.3868 7.3868 7.5483 7.5483 7.8813 7.8813 8.4021 8.4021 9.7193 9.7193 10.0004 10.0004 10.4438 10.4438 10.6678 10.6678 10.9048 10.9048 11.1720 11.1720 11.7776 11.7776 12.3473 12.3473 12.6571 12.6571 k = 0.4048 0.4364 0.2381 ( 3262 PWs) bands (ev): -17.1200 -17.1200 -3.8011 -3.8011 -2.2524 -2.2524 -1.6336 -1.6336 -0.2302 -0.2302 0.4761 0.4761 6.1408 6.1408 6.4199 6.4199 7.1639 7.1639 7.4053 7.4053 7.5115 7.5115 7.8629 7.8629 8.4246 8.4246 9.7156 9.7156 10.0001 10.0001 10.4168 10.4168 10.6315 10.6315 10.8822 10.8822 11.2033 11.2033 11.8001 11.8001 12.3906 12.3906 12.6263 12.6263 k = 0.3988 0.4501 0.2530 ( 3260 PWs) bands (ev): -17.1168 -17.1168 -3.8069 -3.8069 -2.2559 -2.2559 -1.6430 -1.6430 -0.2283 -0.2283 0.4980 0.4980 6.1401 6.1401 6.3943 6.3943 7.1720 7.1720 7.4186 7.4186 7.4830 7.4830 7.8439 7.8439 8.4486 8.4486 9.7092 9.7092 10.0006 10.0006 10.3885 10.3885 10.5942 10.5942 10.8580 10.8580 11.2381 11.2381 11.8213 11.8213 12.4291 12.4291 12.5993 12.5993 k = 0.3929 0.4637 0.2678 ( 3256 PWs) bands (ev): -17.1134 -17.1134 -3.8134 -3.8134 -2.2598 -2.2598 -1.6505 -1.6505 -0.2261 -0.2261 0.5190 0.5190 6.1355 6.1355 6.3697 6.3697 7.1806 7.1806 7.4172 7.4172 7.4731 7.4731 7.8243 7.8243 8.4740 8.4740 9.7007 9.7007 10.0012 10.0012 10.3590 10.3590 10.5561 10.5561 10.8325 10.8325 11.2759 11.2759 11.8413 11.8413 12.4602 12.4602 12.5764 12.5764 k = 0.3869 0.4773 0.2827 ( 3254 PWs) bands (ev): -17.1100 -17.1100 -3.8208 -3.8208 -2.2641 -2.2641 -1.6559 -1.6559 -0.2237 -0.2237 0.5390 0.5390 6.1267 6.1267 6.3463 6.3463 7.1895 7.1895 7.4013 7.4013 7.4819 7.4819 7.8042 7.8042 8.5008 8.5008 9.6908 9.6908 10.0013 10.0013 10.3283 10.3283 10.5171 10.5171 10.8056 10.8056 11.3169 11.3169 11.8597 11.8597 12.4817 12.4817 12.5575 12.5575 k = 0.3810 0.4910 0.2976 ( 3256 PWs) bands (ev): -17.1066 -17.1066 -3.8288 -3.8288 -2.2686 -2.2686 -1.6592 -1.6592 -0.2210 -0.2210 0.5579 0.5579 6.1134 6.1134 6.3243 6.3243 7.1988 7.1988 7.3846 7.3846 7.4965 7.4965 7.7837 7.7837 8.5288 8.5288 9.6798 9.6798 10.0005 10.0005 10.2968 10.2968 10.4772 10.4772 10.7778 10.7778 11.3606 11.3606 11.8764 11.8764 12.4917 12.4917 12.5426 12.5426 k = 0.3750 0.5046 0.3125 ( 3256 PWs) bands (ev): -17.1032 -17.1032 -3.8376 -3.8376 -2.2733 -2.2733 -1.6605 -1.6605 -0.2180 -0.2180 0.5755 0.5755 6.0958 6.0958 6.3037 6.3037 7.2085 7.2085 7.3719 7.3719 7.5121 7.5121 7.7629 7.7629 8.5582 8.5582 9.6684 9.6684 9.9983 9.9983 10.2644 10.2644 10.4366 10.4366 10.7490 10.7490 11.4071 11.4071 11.8915 11.8915 12.4894 12.4894 12.5312 12.5312 k = 0.3690 0.5183 0.3274 ( 3260 PWs) bands (ev): -17.0997 -17.0997 -3.8471 -3.8471 -2.2781 -2.2781 -1.6599 -1.6599 -0.2148 -0.2148 0.5915 0.5915 6.0740 6.0740 6.2847 6.2847 7.2186 7.2186 7.3645 7.3645 7.5274 7.5274 7.7418 7.7418 8.5888 8.5888 9.6569 9.6569 9.9945 9.9945 10.2315 10.2315 10.3951 10.3951 10.7196 10.7196 11.4560 11.4560 11.9047 11.9047 12.4756 12.4756 12.5222 12.5222 k = 0.3631 0.5319 0.3422 ( 3262 PWs) bands (ev): -17.0963 -17.0963 -3.8571 -3.8571 -2.2828 -2.2828 -1.6574 -1.6574 -0.2112 -0.2112 0.6059 0.6059 6.0484 6.0484 6.2674 6.2674 7.2290 7.2290 7.3624 7.3624 7.5420 7.5420 7.7206 7.7206 8.6207 8.6207 9.6455 9.6455 9.9889 9.9889 10.1980 10.1980 10.3529 10.3529 10.6897 10.6897 11.5072 11.5072 11.9161 11.9161 12.4505 12.4505 12.5159 12.5159 k = 0.3571 0.5455 0.3571 ( 3266 PWs) bands (ev): -17.0928 -17.0928 -3.8677 -3.8677 -2.2874 -2.2874 -1.6533 -1.6533 -0.2073 -0.2073 0.6184 0.6184 6.0197 6.0197 6.2518 6.2518 7.2398 7.2398 7.3653 7.3653 7.5557 7.5557 7.6993 7.6993 8.6537 8.6537 9.6346 9.6346 9.9814 9.9814 10.1642 10.1642 10.3099 10.3099 10.6595 10.6595 11.5602 11.5602 11.9259 11.9259 12.4153 12.4153 12.5128 12.5128 k = 0.3512 0.5592 0.3720 ( 3270 PWs) bands (ev): -17.0895 -17.0895 -3.8787 -3.8787 -2.2918 -2.2918 -1.6476 -1.6476 -0.2029 -0.2029 0.6290 0.6290 5.9887 5.9887 6.2381 6.2381 7.2509 7.2509 7.3728 7.3728 7.5684 7.5684 7.6780 7.6780 8.6880 8.6880 9.6241 9.6241 9.9719 9.9719 10.1304 10.1304 10.2664 10.2664 10.6293 10.6293 11.6144 11.6144 11.9340 11.9340 12.3720 12.3720 12.5128 12.5128 k = 0.3452 0.5728 0.3869 ( 3274 PWs) bands (ev): -17.0862 -17.0862 -3.8900 -3.8900 -2.2959 -2.2959 -1.6406 -1.6406 -0.1981 -0.1981 0.6374 0.6374 5.9560 5.9560 6.2263 6.2263 7.2623 7.2623 7.3841 7.3841 7.5799 7.5799 7.6568 7.6568 8.7235 8.7235 9.6143 9.6143 9.9606 9.9606 10.0968 10.0968 10.2222 10.2222 10.5992 10.5992 11.6690 11.6690 11.9406 11.9406 12.3237 12.3237 12.5156 12.5156 k = 0.3393 0.5864 0.4018 ( 3286 PWs) bands (ev): -17.0830 -17.0830 -3.9016 -3.9016 -2.2996 -2.2996 -1.6324 -1.6324 -0.1927 -0.1927 0.6435 0.6435 5.9225 5.9225 6.2165 6.2165 7.2740 7.2740 7.3984 7.3984 7.5902 7.5902 7.6357 7.6357 8.7599 8.7599 9.6052 9.6052 9.9473 9.9473 10.0637 10.0637 10.1775 10.1775 10.5693 10.5693 11.7222 11.7222 11.9458 11.9458 12.2736 12.2736 12.5207 12.5207 k = 0.3333 0.6001 0.4166 ( 3290 PWs) bands (ev): -17.0799 -17.0799 -3.9132 -3.9132 -2.3030 -2.3030 -1.6233 -1.6233 -0.1867 -0.1867 0.6472 0.6472 5.8890 5.8890 6.2088 6.2088 7.2860 7.2860 7.4151 7.4151 7.5988 7.5988 7.6152 7.6152 8.7975 8.7975 9.5967 9.5967 9.9323 9.9323 10.0316 10.0316 10.1323 10.1323 10.5399 10.5399 11.7709 11.7709 11.9500 11.9500 12.2266 12.2266 12.5280 12.5280 k = 0.3274 0.6137 0.4315 ( 3278 PWs) bands (ev): -17.0770 -17.0770 -3.9248 -3.9248 -2.3060 -2.3060 -1.6134 -1.6134 -0.1800 -0.1800 0.6484 0.6484 5.8561 5.8561 6.2033 6.2033 7.2984 7.2984 7.4334 7.4334 7.5930 7.5930 7.6082 7.6082 8.8362 8.8362 9.5890 9.5890 9.9157 9.9157 10.0011 10.0011 10.0868 10.0868 10.5112 10.5112 11.8094 11.8094 11.9534 11.9534 12.1897 12.1897 12.5372 12.5372 k = 0.3214 0.6274 0.4464 ( 3274 PWs) bands (ev): -17.0742 -17.0742 -3.9362 -3.9362 -2.3085 -2.3085 -1.6031 -1.6031 -0.1725 -0.1725 0.6470 0.6470 5.8246 5.8246 6.1999 6.1999 7.3110 7.3110 7.4524 7.4524 7.5731 7.5731 7.6142 7.6142 8.8759 8.8759 9.5818 9.5818 9.8971 9.8971 9.9727 9.9727 10.0409 10.0409 10.4833 10.4833 11.8285 11.8285 11.9561 11.9561 12.1732 12.1732 12.5479 12.5479 k = 0.3155 0.6410 0.4613 ( 3274 PWs) bands (ev): -17.0715 -17.0715 -3.9473 -3.9473 -2.3107 -2.3107 -1.5923 -1.5923 -0.1641 -0.1641 0.6428 0.6428 5.7949 5.7949 6.1987 6.1987 7.3239 7.3239 7.4715 7.4715 7.5531 7.5531 7.6192 7.6192 8.9165 8.9165 9.5752 9.5752 9.8765 9.8765 9.9471 9.9471 9.9949 9.9949 10.4562 10.4562 11.8211 11.8211 11.9580 11.9580 12.1852 12.1852 12.5600 12.5600 k = 0.3095 0.6546 0.4761 ( 3274 PWs) bands (ev): -17.0690 -17.0690 -3.9580 -3.9580 -2.3125 -2.3125 -1.5815 -1.5815 -0.1547 -0.1547 0.6358 0.6358 5.7677 5.7677 6.1996 6.1996 7.3370 7.3370 7.4899 7.4899 7.5335 7.5335 7.6228 7.6228 8.9580 8.9580 9.5691 9.5691 9.8540 9.8540 9.9244 9.9244 9.9495 9.9495 10.4301 10.4301 11.7905 11.7905 11.9591 11.9591 12.2232 12.2232 12.5732 12.5732 k = 0.3036 0.6683 0.4910 ( 3270 PWs) bands (ev): -17.0667 -17.0667 -3.9680 -3.9680 -2.3140 -2.3140 -1.5707 -1.5707 -0.1443 -0.1443 0.6259 0.6259 5.7432 5.7432 6.2028 6.2028 7.3503 7.3503 7.5062 7.5062 7.5150 7.5150 7.6250 7.6250 9.0003 9.0003 9.5635 9.5635 9.8300 9.8300 9.8973 9.8973 9.9124 9.9124 10.4051 10.4051 11.7459 11.7459 11.9602 11.9602 12.2783 12.2783 12.5872 12.5872 k = 0.2976 0.6819 0.5059 ( 3264 PWs) bands (ev): -17.0647 -17.0647 -3.9774 -3.9774 -2.3151 -2.3151 -1.5602 -1.5602 -0.1326 -0.1326 0.6132 0.6132 5.7220 5.7220 6.2082 6.2082 7.3639 7.3639 7.4952 7.4952 7.5223 7.5223 7.6258 7.6258 9.0433 9.0433 9.5584 9.5584 9.8050 9.8050 9.8542 9.8542 9.8953 9.8953 10.3814 10.3814 11.6944 11.6944 11.9617 11.9617 12.3432 12.3432 12.6018 12.6018 k = 0.2917 0.6955 0.5208 ( 3264 PWs) bands (ev): -17.0628 -17.0628 -3.9860 -3.9860 -2.3160 -2.3160 -1.5501 -1.5501 -0.1196 -0.1196 0.5975 0.5975 5.7042 5.7042 6.2158 6.2158 7.3776 7.3776 7.4771 7.4771 7.5344 7.5344 7.6249 7.6249 9.0870 9.0870 9.5539 9.5539 9.7790 9.7790 9.8102 9.8102 9.8841 9.8841 10.3588 10.3588 11.6401 11.6401 11.9636 11.9636 12.4140 12.4140 12.6169 12.6169 k = 0.2857 0.7092 0.5357 ( 3264 PWs) bands (ev): -17.0612 -17.0612 -3.9937 -3.9937 -2.3166 -2.3166 -1.5406 -1.5406 -0.1052 -0.1052 0.5790 0.5790 5.6901 5.6901 6.2256 6.2256 7.3914 7.3914 7.4595 7.4595 7.5434 7.5434 7.6225 7.6225 9.1314 9.1314 9.5499 9.5499 9.7487 9.7487 9.7715 9.7715 9.8766 9.8766 10.3376 10.3376 11.5852 11.5852 11.9663 11.9663 12.4887 12.4887 12.6321 12.6321 k = 0.2798 0.7228 0.5505 ( 3266 PWs) bands (ev): -17.0598 -17.0598 -4.0003 -4.0003 -2.3169 -2.3169 -1.5319 -1.5319 -0.0894 -0.0894 0.5575 0.5575 5.6798 5.6798 6.2375 6.2375 7.4055 7.4055 7.4425 7.4425 7.5489 7.5489 7.6183 7.6183 9.1763 9.1763 9.5464 9.5464 9.7096 9.7096 9.7435 9.7435 9.8725 9.8725 10.3178 10.3178 11.5309 11.5309 11.9700 11.9700 12.5656 12.5656 12.6478 12.6478 k = 0.2738 0.7365 0.5654 ( 3266 PWs) bands (ev): -17.0586 -17.0586 -4.0059 -4.0059 -2.3170 -2.3170 -1.5241 -1.5241 -0.0721 -0.0721 0.5333 0.5333 5.6735 5.6735 6.2515 6.2515 7.4196 7.4196 7.4261 7.4261 7.5504 7.5504 7.6122 7.6122 9.2216 9.2216 9.5427 9.5427 9.6681 9.6681 9.7217 9.7217 9.8715 9.8715 10.2995 10.2995 11.4779 11.4779 11.9748 11.9748 12.6407 12.6407 12.6670 12.6670 k = 0.2738 0.7365 0.5654 ( 3266 PWs) bands (ev): -17.0586 -17.0586 -4.0059 -4.0059 -2.3170 -2.3170 -1.5241 -1.5241 -0.0721 -0.0721 0.5333 0.5333 5.6735 5.6735 6.2515 6.2515 7.4196 7.4196 7.4261 7.4261 7.5504 7.5504 7.6122 7.6122 9.2216 9.2216 9.5427 9.5427 9.6681 9.6681 9.7217 9.7217 9.8715 9.8715 10.2995 10.2995 11.4779 11.4779 11.9748 11.9748 12.6407 12.6407 12.6670 12.6670 k = 0.2543 0.7326 0.5697 ( 3269 PWs) bands (ev): -17.0583 -17.0583 -4.0073 -4.0073 -2.3169 -2.3169 -1.5220 -1.5220 -0.0668 -0.0668 0.5255 0.5255 5.6728 5.6728 6.2560 6.2560 7.4167 7.4167 7.4286 7.4286 7.5491 7.5491 7.6105 7.6105 9.2348 9.2348 9.5415 9.5415 9.6565 9.6565 9.7160 9.7160 9.8725 9.8725 10.2929 10.2929 11.4659 11.4659 11.9763 11.9763 12.6015 12.6015 12.7331 12.7331 k = 0.2347 0.7287 0.5739 ( 3268 PWs) bands (ev): -17.0580 -17.0580 -4.0086 -4.0086 -2.3168 -2.3168 -1.5197 -1.5197 -0.0610 -0.0610 0.5168 0.5168 5.6730 5.6730 6.2610 6.2610 7.4100 7.4100 7.4349 7.4349 7.5456 7.5456 7.6097 7.6097 9.2483 9.2483 9.5403 9.5403 9.6452 9.6452 9.7105 9.7105 9.8753 9.8753 10.2832 10.2832 11.4595 11.4595 11.9775 11.9775 12.5511 12.5511 12.8098 12.8098 k = 0.2151 0.7248 0.5782 ( 3265 PWs) bands (ev): -17.0578 -17.0578 -4.0098 -4.0098 -2.3167 -2.3167 -1.5175 -1.5175 -0.0551 -0.0551 0.5074 0.5074 5.6740 5.6740 6.2662 6.2662 7.4035 7.4035 7.4412 7.4412 7.5399 7.5399 7.6099 7.6099 9.2621 9.2621 9.5389 9.5389 9.6343 9.6343 9.7050 9.7050 9.8797 9.8797 10.2706 10.2706 11.4586 11.4586 11.9785 11.9785 12.5013 12.5013 12.8843 12.8843 k = 0.1956 0.7209 0.5824 ( 3264 PWs) bands (ev): -17.0576 -17.0576 -4.0109 -4.0109 -2.3165 -2.3165 -1.5153 -1.5153 -0.0489 -0.0489 0.4975 0.4975 5.6757 5.6757 6.2717 6.2717 7.3974 7.3974 7.4471 7.4471 7.5327 7.5327 7.6109 7.6109 9.2761 9.2761 9.5369 9.5369 9.6244 9.6244 9.6996 9.6996 9.8859 9.8859 10.2553 10.2553 11.4626 11.4626 11.9791 11.9791 12.4527 12.4527 12.9303 12.9303 k = 0.1760 0.7170 0.5867 ( 3270 PWs) bands (ev): -17.0574 -17.0574 -4.0119 -4.0119 -2.3163 -2.3163 -1.5131 -1.5131 -0.0427 -0.0427 0.4875 0.4875 5.6777 5.6777 6.2771 6.2771 7.3918 7.3918 7.4525 7.4525 7.5243 7.5243 7.6124 7.6124 9.2902 9.2902 9.5337 9.5337 9.6156 9.6156 9.6943 9.6943 9.8939 9.8939 10.2375 10.2375 11.4712 11.4712 11.9794 11.9794 12.4055 12.4055 12.9197 12.9197 k = 0.1565 0.7131 0.5909 ( 3272 PWs) bands (ev): -17.0572 -17.0572 -4.0128 -4.0128 -2.3160 -2.3160 -1.5110 -1.5110 -0.0366 -0.0366 0.4775 0.4775 5.6801 5.6801 6.2825 6.2825 7.3867 7.3867 7.4575 7.4575 7.5154 7.5154 7.6141 7.6141 9.3045 9.3045 9.5292 9.5292 9.6085 9.6085 9.6892 9.6892 9.9036 9.9036 10.2179 10.2179 11.4835 11.4835 11.9795 11.9795 12.3601 12.3601 12.9089 12.9089 k = 0.1369 0.7092 0.5952 ( 3274 PWs) bands (ev): -17.0570 -17.0570 -4.0137 -4.0137 -2.3158 -2.3158 -1.5090 -1.5090 -0.0307 -0.0307 0.4678 0.4678 5.6825 5.6825 6.2877 6.2877 7.3822 7.3822 7.4621 7.4621 7.5064 7.5064 7.6160 7.6160 9.3189 9.3189 9.5228 9.5228 9.6034 9.6034 9.6841 9.6841 9.9149 9.9149 10.1967 10.1967 11.4987 11.4987 11.9792 11.9792 12.3169 12.3169 12.8994 12.8994 k = 0.1173 0.7053 0.5994 ( 3268 PWs) bands (ev): -17.0569 -17.0569 -4.0144 -4.0144 -2.3156 -2.3156 -1.5072 -1.5072 -0.0251 -0.0251 0.4587 0.4587 5.6850 5.6850 6.2925 6.2925 7.3782 7.3782 7.4661 7.4661 7.4978 7.4978 7.6178 7.6178 9.3333 9.3333 9.5146 9.5146 9.6003 9.6003 9.6794 9.6794 9.9280 9.9280 10.1744 10.1744 11.5159 11.5159 11.9789 11.9789 12.2763 12.2763 12.8912 12.8912 k = 0.0978 0.7014 0.6037 ( 3274 PWs) bands (ev): -17.0568 -17.0568 -4.0150 -4.0150 -2.3154 -2.3154 -1.5056 -1.5056 -0.0200 -0.0200 0.4505 0.4505 5.6872 5.6872 6.2968 6.2968 7.3749 7.3749 7.4695 7.4695 7.4899 7.4899 7.6194 7.6194 9.3475 9.3475 9.5050 9.5050 9.5987 9.5987 9.6749 9.6749 9.9426 9.9426 10.1513 10.1513 11.5339 11.5339 11.9784 11.9784 12.2392 12.2392 12.8844 12.8844 k = 0.0782 0.6975 0.6079 ( 3274 PWs) bands (ev): -17.0567 -17.0567 -4.0155 -4.0155 -2.3152 -2.3152 -1.5043 -1.5043 -0.0156 -0.0156 0.4434 0.4434 5.6892 5.6892 6.3006 6.3006 7.3721 7.3721 7.4723 7.4723 7.4830 7.4830 7.6208 7.6208 9.3613 9.3613 9.4944 9.4944 9.5983 9.5983 9.6710 9.6710 9.9588 9.9588 10.1279 10.1279 11.5517 11.5517 11.9780 11.9780 12.2063 12.2063 12.8789 12.8789 k = 0.0587 0.6936 0.6122 ( 3268 PWs) bands (ev): -17.0566 -17.0566 -4.0159 -4.0159 -2.3151 -2.3151 -1.5032 -1.5032 -0.0120 -0.0120 0.4376 0.4376 5.6909 5.6909 6.3036 6.3036 7.3699 7.3699 7.4745 7.4745 7.4774 7.4774 7.6219 7.6219 9.3745 9.3745 9.4835 9.4835 9.5985 9.5985 9.6677 9.6677 9.9763 9.9763 10.1045 10.1045 11.5677 11.5677 11.9776 11.9776 12.1787 12.1787 12.8747 12.8747 k = 0.0391 0.6897 0.6165 ( 3270 PWs) bands (ev): -17.0566 -17.0566 -4.0161 -4.0161 -2.3150 -2.3150 -1.5024 -1.5024 -0.0094 -0.0094 0.4333 0.4333 5.6921 5.6921 6.3059 6.3059 7.3683 7.3683 7.4732 7.4732 7.4761 7.4761 7.6227 7.6227 9.3861 9.3861 9.4733 9.4733 9.5991 9.5991 9.6651 9.6651 9.9952 9.9952 10.0813 10.0813 11.5807 11.5807 11.9774 11.9774 12.1577 12.1577 12.8718 12.8718 k = 0.0196 0.6858 0.6207 ( 3272 PWs) bands (ev): -17.0565 -17.0565 -4.0163 -4.0163 -2.3149 -2.3149 -1.5019 -1.5019 -0.0077 -0.0077 0.4306 0.4306 5.6929 5.6929 6.3072 6.3072 7.3674 7.3674 7.4707 7.4707 7.4771 7.4771 7.6232 7.6232 9.3948 9.3948 9.4654 9.4654 9.5996 9.5996 9.6635 9.6635 10.0152 10.0152 10.0586 10.0586 11.5891 11.5891 11.9772 11.9772 12.1444 12.1444 12.8700 12.8700 k = 0.0000 0.6819 0.6250 ( 3270 PWs) bands (ev): -17.0565 -17.0565 -4.0164 -4.0164 -2.3149 -2.3149 -1.5018 -1.5018 -0.0072 -0.0072 0.4297 0.4297 5.6932 5.6932 6.3077 6.3077 7.3671 7.3671 7.4698 7.4698 7.4774 7.4774 7.6234 7.6234 9.3983 9.3983 9.4622 9.4622 9.5998 9.5998 9.6630 9.6630 10.0345 10.0345 10.0384 10.0384 11.5920 11.5920 11.9772 11.9772 12.1399 12.1399 12.8695 12.8695 k = 0.0000 0.6819 0.6250 ( 3270 PWs) bands (ev): -17.0565 -17.0565 -4.0164 -4.0164 -2.3149 -2.3149 -1.5018 -1.5018 -0.0072 -0.0072 0.4297 0.4297 5.6932 5.6932 6.3077 6.3077 7.3671 7.3671 7.4698 7.4698 7.4774 7.4774 7.6234 7.6234 9.3983 9.3983 9.4622 9.4622 9.5998 9.5998 9.6630 9.6630 10.0345 10.0345 10.0384 10.0384 11.5920 11.5920 11.9772 11.9772 12.1399 12.1399 12.8695 12.8695 k = 0.0061 0.6679 0.6402 ( 3272 PWs) bands (ev): -17.0564 -17.0564 -4.0163 -4.0163 -2.3147 -2.3147 -1.5028 -1.5028 -0.0064 -0.0064 0.4298 0.4298 5.6938 5.6938 6.3052 6.3052 7.3686 7.3686 7.4553 7.4553 7.4920 7.4920 7.6228 7.6228 9.3958 9.3958 9.4544 9.4544 9.6073 9.6073 9.6658 9.6658 10.0349 10.0349 10.0364 10.0364 11.5932 11.5932 11.9593 11.9593 12.1545 12.1545 12.8561 12.8561 k = 0.0122 0.6540 0.6554 ( 3274 PWs) bands (ev): -17.0560 -17.0560 -4.0160 -4.0160 -2.3141 -2.3141 -1.5060 -1.5060 -0.0041 -0.0041 0.4299 0.4299 5.6955 5.6955 6.2976 6.2976 7.3731 7.3731 7.4375 7.4375 7.5101 7.5101 7.6209 7.6209 9.3888 9.3888 9.4346 9.4346 9.6261 9.6261 9.6739 9.6739 10.0295 10.0295 10.0369 10.0369 11.5967 11.5967 11.9177 11.9177 12.1863 12.1863 12.8183 12.8183 k = 0.0183 0.6400 0.6707 ( 3276 PWs) bands (ev): -17.0554 -17.0554 -4.0155 -4.0155 -2.3132 -2.3132 -1.5112 -1.5112 -0.0002 -0.0002 0.4301 0.4301 5.6984 5.6984 6.2852 6.2852 7.3804 7.3804 7.4195 7.4195 7.5287 7.5287 7.6178 7.6178 9.3777 9.3777 9.4090 9.4090 9.6504 9.6504 9.6869 9.6869 10.0188 10.0188 10.0397 10.0397 11.6022 11.6022 11.8660 11.8660 12.2215 12.2215 12.7616 12.7616 k = 0.0244 0.6260 0.6859 ( 3270 PWs) bands (ev): -17.0546 -17.0546 -4.0148 -4.0148 -2.3120 -2.3120 -1.5184 -1.5184 0.0051 0.0051 0.4303 0.4303 5.7023 5.7023 6.2683 6.2683 7.3894 7.3894 7.4020 7.4020 7.5478 7.5478 7.6136 7.6136 9.3625 9.3625 9.3816 9.3816 9.6761 9.6761 9.7041 9.7041 10.0041 10.0041 10.0433 10.0433 11.6092 11.6092 11.8101 11.8101 12.2542 12.2542 12.6922 12.6922 k = 0.0305 0.6120 0.7012 ( 3270 PWs) bands (ev): -17.0534 -17.0534 -4.0140 -4.0140 -2.3104 -2.3104 -1.5275 -1.5275 0.0120 0.0120 0.4307 0.4307 5.7071 5.7071 6.2472 6.2472 7.3811 7.3811 7.4037 7.4037 7.5672 7.5672 7.6086 7.6086 9.3409 9.3409 9.3573 9.3573 9.7010 9.7010 9.7254 9.7254 9.9857 9.9857 10.0476 10.0476 11.6165 11.6165 11.7529 11.7529 12.2818 12.2818 12.6155 12.6155 k = 0.0366 0.5981 0.7164 ( 3272 PWs) bands (ev): -17.0521 -17.0521 -4.0130 -4.0130 -2.3086 -2.3086 -1.5383 -1.5383 0.0204 0.0204 0.4310 0.4310 5.7126 5.7126 6.2224 6.2224 7.3625 7.3625 7.4172 7.4172 7.5852 7.5852 7.6049 7.6049 9.3125 9.3125 9.3379 9.3379 9.7240 9.7240 9.7499 9.7499 9.9642 9.9642 10.0525 10.0525 11.6213 11.6213 11.6974 11.6974 12.3029 12.3029 12.5363 12.5363 k = 0.0427 0.5841 0.7317 ( 3280 PWs) bands (ev): -17.0506 -17.0506 -4.0120 -4.0120 -2.3065 -2.3065 -1.5506 -1.5506 0.0301 0.0301 0.4314 0.4314 5.7186 5.7186 6.1942 6.1942 7.3434 7.3434 7.4322 7.4322 7.5889 7.5889 7.6152 7.6152 9.2818 9.2818 9.3199 9.3199 9.7454 9.7454 9.7760 9.7760 9.9401 9.9401 10.0578 10.0578 11.6093 11.6093 11.6575 11.6575 12.3162 12.3162 12.4586 12.4586 k = 0.0488 0.5701 0.7469 ( 3276 PWs) bands (ev): -17.0488 -17.0488 -4.0108 -4.0108 -2.3043 -2.3043 -1.5644 -1.5644 0.0413 0.0413 0.4318 0.4318 5.7249 5.7249 6.1633 6.1633 7.3243 7.3243 7.4480 7.4480 7.5820 7.5820 7.6364 7.6364 9.2507 9.2507 9.3021 9.3021 9.7650 9.7650 9.8021 9.8021 9.9147 9.9147 10.0632 10.0632 11.5629 11.5629 11.6493 11.6493 12.3190 12.3190 12.3885 12.3885 k = 0.0549 0.5562 0.7621 ( 3276 PWs) bands (ev): -17.0468 -17.0468 -4.0096 -4.0096 -2.3019 -2.3019 -1.5793 -1.5793 0.0539 0.0539 0.4323 0.4323 5.7311 5.7311 6.1299 6.1299 7.3052 7.3052 7.4640 7.4640 7.5732 7.5732 7.6600 7.6600 9.2197 9.2197 9.2845 9.2845 9.7808 9.7808 9.8270 9.8270 9.8909 9.8909 10.0686 10.0686 11.5072 11.5072 11.6461 11.6461 12.2954 12.2954 12.3449 12.3449 k = 0.0610 0.5422 0.7774 ( 3276 PWs) bands (ev): -17.0446 -17.0446 -4.0083 -4.0083 -2.2994 -2.2994 -1.5952 -1.5952 0.0678 0.0678 0.4326 0.4326 5.7369 5.7369 6.0946 6.0946 7.2866 7.2866 7.4791 7.4791 7.5643 7.5643 7.6848 7.6848 9.1891 9.1891 9.2671 9.2671 9.7871 9.7871 9.8486 9.8486 9.8764 9.8764 10.0740 10.0740 11.4506 11.4506 11.6371 11.6371 12.2462 12.2462 12.3299 12.3299 k = 0.0671 0.5282 0.7926 ( 3278 PWs) bands (ev): -17.0423 -17.0423 -4.0071 -4.0071 -2.2970 -2.2970 -1.6117 -1.6117 0.0829 0.0829 0.4330 0.4330 5.7421 5.7421 6.0577 6.0577 7.2687 7.2687 7.4917 7.4917 7.5567 7.5567 7.7108 7.7108 9.1591 9.1591 9.2500 9.2500 9.7753 9.7753 9.8634 9.8634 9.8827 9.8827 10.0795 10.0795 11.3944 11.3944 11.6191 11.6191 12.2017 12.2017 12.3160 12.3160 k = 0.0732 0.5143 0.8079 ( 3274 PWs) bands (ev): -17.0397 -17.0397 -4.0059 -4.0059 -2.2946 -2.2946 -1.6287 -1.6287 0.0993 0.0993 0.4332 0.4332 5.7462 5.7462 6.0196 6.0196 7.2518 7.2518 7.4983 7.4983 7.5537 7.5537 7.7377 7.7377 9.1299 9.1299 9.2335 9.2335 9.7490 9.7490 9.8782 9.8782 9.8991 9.8991 10.0852 10.0852 11.3391 11.3391 11.5908 11.5908 12.1679 12.1679 12.2983 12.2983 k = 0.0793 0.5003 0.8231 ( 3274 PWs) bands (ev): -17.0370 -17.0370 -4.0049 -4.0049 -2.2924 -2.2924 -1.6459 -1.6459 0.1168 0.1168 0.4334 0.4334 5.7489 5.7489 5.9805 5.9805 7.2363 7.2363 7.4960 7.4960 7.5581 7.5581 7.7656 7.7656 9.1014 9.1014 9.2176 9.2176 9.7165 9.7165 9.8955 9.8955 9.9145 9.9145 10.0916 10.0916 11.2849 11.2849 11.5529 11.5529 12.1443 12.1443 12.2768 12.2768 k = 0.0854 0.4863 0.8384 ( 3274 PWs) bands (ev): -17.0342 -17.0342 -4.0039 -4.0039 -2.2905 -2.2905 -1.6630 -1.6630 0.1354 0.1354 0.4334 0.4334 5.7499 5.7499 5.9410 5.9410 7.2227 7.2227 7.4866 7.4866 7.5680 7.5680 7.7944 7.7944 9.0739 9.0739 9.2022 9.2022 9.6815 9.6815 9.9135 9.9135 9.9264 9.9264 10.0991 10.0991 11.2319 11.2319 11.5073 11.5073 12.1281 12.1281 12.2521 12.2521 k = 0.0915 0.4723 0.8536 ( 3274 PWs) bands (ev): -17.0313 -17.0313 -4.0031 -4.0031 -2.2889 -2.2889 -1.6798 -1.6798 0.1549 0.1549 0.4333 0.4333 5.7486 5.7486 5.9012 5.9012 7.2111 7.2111 7.4736 7.4736 7.5797 7.5797 7.8238 7.8238 9.0475 9.0475 9.1875 9.1875 9.6454 9.6454 9.9295 9.9295 9.9356 9.9356 10.1081 10.1081 11.1802 11.1802 11.4566 11.4566 12.1161 12.1161 12.2253 12.2253 k = 0.0976 0.4584 0.8688 ( 3278 PWs) bands (ev): -17.0282 -17.0282 -4.0025 -4.0025 -2.2877 -2.2877 -1.6959 -1.6959 0.1754 0.1754 0.4330 0.4330 5.7449 5.7449 5.8615 5.8615 7.2021 7.2021 7.4586 7.4586 7.5914 7.5914 7.8537 7.8537 9.0223 9.0223 9.1735 9.1735 9.6092 9.6092 9.9341 9.9341 9.9507 9.9507 10.1187 10.1187 11.1298 11.1298 11.4029 11.4029 12.1050 12.1050 12.1972 12.1972 k = 0.1037 0.4444 0.8841 ( 3282 PWs) bands (ev): -17.0251 -17.0251 -4.0022 -4.0022 -2.2871 -2.2871 -1.7112 -1.7112 0.1967 0.1967 0.4325 0.4325 5.7383 5.7383 5.8222 5.8222 7.1959 7.1959 7.4427 7.4427 7.6023 7.6023 7.8841 7.8841 8.9984 8.9984 9.1602 9.1602 9.5732 9.5732 9.9315 9.9315 9.9673 9.9673 10.1307 10.1307 11.0807 11.0807 11.3480 11.3480 12.0923 12.0923 12.1689 12.1689 k = 0.1098 0.4304 0.8993 ( 3280 PWs) bands (ev): -17.0218 -17.0218 -4.0021 -4.0021 -2.2870 -2.2870 -1.7255 -1.7255 0.2187 0.2187 0.4318 0.4318 5.7282 5.7282 5.7841 5.7841 7.1927 7.1927 7.4261 7.4261 7.6119 7.6119 7.9148 7.9148 8.9760 8.9760 9.1477 9.1477 9.5379 9.5379 9.9242 9.9242 9.9832 9.9832 10.1438 10.1438 11.0330 11.0330 11.2927 11.2927 12.0762 12.0762 12.1415 12.1415 k = 0.1159 0.4165 0.9146 ( 3278 PWs) bands (ev): -17.0186 -17.0186 -4.0023 -4.0023 -2.2876 -2.2876 -1.7385 -1.7385 0.2413 0.2413 0.4309 0.4309 5.7135 5.7135 5.7483 5.7483 7.1927 7.1927 7.4091 7.4091 7.6199 7.6199 7.9457 7.9457 8.9551 8.9551 9.1360 9.1360 9.5035 9.5035 9.9129 9.9129 9.9983 9.9983 10.1573 10.1573 10.9868 10.9868 11.2379 11.2379 12.0559 12.0559 12.1155 12.1155 k = 0.1220 0.4025 0.9298 ( 3276 PWs) bands (ev): -17.0153 -17.0153 -4.0028 -4.0028 -2.2889 -2.2889 -1.7501 -1.7501 0.2645 0.2645 0.4297 0.4297 5.6909 5.6909 5.7183 5.7183 7.1959 7.1959 7.3919 7.3919 7.6263 7.6263 7.9766 7.9766 8.9360 8.9360 9.1250 9.1250 9.4703 9.4703 9.8983 9.8983 10.0123 10.0123 10.1709 10.1709 10.9421 10.9421 11.1837 11.1837 12.0321 12.0321 12.0905 12.0905 k = 0.1280 0.3885 0.9451 ( 3272 PWs) bands (ev): -17.0119 -17.0119 -4.0036 -4.0036 -2.2908 -2.2908 -1.7603 -1.7603 0.2880 0.2880 0.4283 0.4283 5.6601 5.6601 5.6949 5.6949 7.2023 7.2023 7.3748 7.3748 7.6308 7.6308 8.0073 8.0073 8.9188 8.9188 9.1149 9.1149 9.4384 9.4384 9.8808 9.8808 10.0254 10.0254 10.1841 10.1841 10.8989 10.8989 11.1302 11.1302 12.0063 12.0063 12.0658 12.0658 k = 0.1341 0.3746 0.9603 ( 3272 PWs) bands (ev): -17.0086 -17.0086 -4.0048 -4.0048 -2.2934 -2.2934 -1.7689 -1.7689 0.3117 0.3117 0.4266 0.4266 5.6264 5.6264 5.6727 5.6727 7.2118 7.2118 7.3579 7.3579 7.6335 7.6335 8.0376 8.0376 8.9037 8.9037 9.1056 9.1056 9.4080 9.4080 9.8609 9.8609 10.0374 10.0374 10.1967 10.1967 10.8571 10.8571 11.0773 11.0773 11.9797 11.9797 12.0407 12.0407 k = 0.1402 0.3606 0.9755 ( 3268 PWs) bands (ev): -17.0053 -17.0053 -4.0063 -4.0063 -2.2966 -2.2966 -1.7759 -1.7759 0.3356 0.3356 0.4246 0.4246 5.5928 5.5928 5.6494 5.6494 7.2241 7.2241 7.3413 7.3413 7.6343 7.6343 8.0675 8.0675 8.8910 8.8910 9.0972 9.0972 9.3791 9.3791 9.8392 9.8392 10.0485 10.0485 10.2084 10.2084 10.8169 10.8169 11.0247 11.0247 11.9536 11.9536 12.0151 12.0151 k = 0.1463 0.3466 0.9908 ( 3272 PWs) bands (ev): -17.0021 -17.0021 -4.0080 -4.0080 -2.3004 -2.3004 -1.7814 -1.7814 0.3595 0.3595 0.4225 0.4225 5.5602 5.5602 5.6245 5.6245 7.2389 7.2389 7.3252 7.3252 7.6333 7.6333 8.0965 8.0965 8.8806 8.8806 9.0894 9.0894 9.3517 9.3517 9.8159 9.8159 10.0587 10.0587 10.2192 10.2192 10.7782 10.7782 10.9722 10.9722 11.9284 11.9284 11.9893 11.9893 k = 0.1524 0.3326 1.0060 ( 3268 PWs) bands (ev): -16.9989 -16.9989 -4.0101 -4.0101 -2.3046 -2.3046 -1.7855 -1.7855 0.3831 0.3831 0.4202 0.4202 5.5289 5.5289 5.5982 5.5982 7.2558 7.2558 7.3100 7.3100 7.6305 7.6305 8.1246 8.1246 8.8731 8.8731 9.0826 9.0826 9.3259 9.3259 9.7914 9.7914 10.0682 10.0682 10.2288 10.2288 10.7411 10.7411 10.9199 10.9199 11.9047 11.9047 11.9637 11.9637 k = 0.1585 0.3187 1.0213 ( 3270 PWs) bands (ev): -16.9958 -16.9958 -4.0124 -4.0124 -2.3092 -2.3092 -1.7882 -1.7882 0.4060 0.4060 0.4181 0.4181 5.4991 5.4991 5.5708 5.5708 7.2732 7.2732 7.2967 7.2967 7.6260 7.6260 8.1515 8.1515 8.8685 8.8685 9.0765 9.0765 9.3018 9.3018 9.7660 9.7660 10.0769 10.0769 10.2371 10.2371 10.7056 10.7056 10.8675 10.8675 11.8826 11.8826 11.9387 11.9387 k = 0.1646 0.3047 1.0365 ( 3268 PWs) bands (ev): -16.9928 -16.9928 -4.0150 -4.0150 -2.3139 -2.3139 -1.7898 -1.7898 0.4140 0.4140 0.4303 0.4303 5.4710 5.4710 5.5426 5.5426 7.2770 7.2770 7.2995 7.2995 7.6201 7.6201 8.1770 8.1770 8.8671 8.8671 9.0713 9.0713 9.2792 9.2792 9.7399 9.7399 10.0851 10.0851 10.2442 10.2442 10.6716 10.6716 10.8153 10.8153 11.8624 11.8624 11.9149 11.9149 k = 0.1707 0.2907 1.0518 ( 3262 PWs) bands (ev): -16.9899 -16.9899 -4.0177 -4.0177 -2.3188 -2.3188 -1.7903 -1.7903 0.4114 0.4114 0.4523 0.4523 5.4446 5.4446 5.5142 5.5142 7.2656 7.2656 7.3192 7.3192 7.6129 7.6129 8.2009 8.2009 8.8692 8.8692 9.0667 9.0667 9.2581 9.2581 9.7133 9.7133 10.0929 10.0929 10.2497 10.2497 10.6392 10.6392 10.7635 10.7635 11.8440 11.8440 11.8927 11.8927 k = 0.1768 0.2768 1.0670 ( 3260 PWs) bands (ev): -16.9872 -16.9872 -4.0206 -4.0206 -2.3237 -2.3237 -1.7899 -1.7899 0.4085 0.4085 0.4737 0.4737 5.4199 5.4199 5.4858 5.4858 7.2538 7.2538 7.3408 7.3408 7.6046 7.6046 8.2229 8.2229 8.8750 8.8750 9.0629 9.0629 9.2386 9.2386 9.6863 9.6863 10.1003 10.1003 10.2537 10.2537 10.6082 10.6082 10.7127 10.7127 11.8275 11.8275 11.8722 11.8722 k = 0.1829 0.2628 1.0822 ( 3256 PWs) bands (ev): -16.9846 -16.9846 -4.0235 -4.0235 -2.3284 -2.3284 -1.7889 -1.7889 0.4054 0.4054 0.4943 0.4943 5.3971 5.3971 5.4581 5.4581 7.2429 7.2429 7.3627 7.3627 7.5956 7.5956 8.2429 8.2429 8.8845 8.8845 9.0598 9.0598 9.2205 9.2205 9.6588 9.6588 10.1076 10.1076 10.2558 10.2558 10.5787 10.5787 10.6635 10.6635 11.8128 11.8128 11.8537 11.8537 k = 0.1890 0.2488 1.0975 ( 3256 PWs) bands (ev): -16.9822 -16.9822 -4.0264 -4.0264 -2.3330 -2.3330 -1.7873 -1.7873 0.4024 0.4024 0.5137 0.5137 5.3761 5.3761 5.4313 5.4313 7.2329 7.2329 7.3843 7.3843 7.5860 7.5860 8.2607 8.2607 8.8977 8.8977 9.0573 9.0573 9.2038 9.2038 9.6310 9.6310 10.1147 10.1147 10.2559 10.2559 10.5507 10.5507 10.6170 10.6170 11.7999 11.7999 11.8372 11.8372 k = 0.1951 0.2348 1.1127 ( 3258 PWs) bands (ev): -16.9799 -16.9799 -4.0293 -4.0293 -2.3373 -2.3373 -1.7853 -1.7853 0.3994 0.3994 0.5319 0.5319 5.3570 5.3570 5.4059 5.4059 7.2241 7.2241 7.4051 7.4051 7.5763 7.5763 8.2764 8.2764 8.9147 8.9147 9.0555 9.0555 9.1885 9.1885 9.6028 9.6028 10.1216 10.1216 10.2536 10.2536 10.5239 10.5239 10.5742 10.5742 11.7887 11.7887 11.8227 11.8227 k = 0.2012 0.2209 1.1280 ( 3248 PWs) bands (ev): -16.9779 -16.9779 -4.0321 -4.0321 -2.3412 -2.3412 -1.7831 -1.7831 0.3966 0.3966 0.5487 0.5487 5.3397 5.3397 5.3823 5.3823 7.2163 7.2163 7.4247 7.4247 7.5667 7.5667 8.2898 8.2898 8.9353 8.9353 9.0543 9.0543 9.1746 9.1746 9.5741 9.5741 10.1284 10.1284 10.2487 10.2487 10.4984 10.4984 10.5365 10.5365 11.7791 11.7791 11.8102 11.8102 k = 0.2073 0.2069 1.1432 ( 3250 PWs) bands (ev): -16.9761 -16.9761 -4.0348 -4.0348 -2.3447 -2.3447 -1.7809 -1.7809 0.3939 0.3939 0.5639 0.5639 5.3242 5.3242 5.3610 5.3610 7.2096 7.2096 7.4424 7.4424 7.5576 7.5576 8.3012 8.3012 8.9588 8.9588 9.0536 9.0536 9.1619 9.1619 9.5450 9.5450 10.1350 10.1350 10.2409 10.2409 10.4746 10.4746 10.5047 10.5047 11.7709 11.7709 11.7995 11.7995 k = 0.2134 0.1929 1.1585 ( 3250 PWs) bands (ev): -16.9745 -16.9745 -4.0372 -4.0372 -2.3479 -2.3479 -1.7787 -1.7787 0.3914 0.3914 0.5774 0.5774 5.3105 5.3105 5.3421 5.3421 7.2040 7.2040 7.4580 7.4580 7.5496 7.5496 8.3107 8.3107 8.9850 8.9850 9.0535 9.0535 9.1507 9.1507 9.5155 9.5155 10.1412 10.1412 10.2306 10.2306 10.4532 10.4532 10.4787 10.4787 11.7641 11.7641 11.7905 11.7905 k = 0.2195 0.1790 1.1737 ( 3252 PWs) bands (ev): -16.9731 -16.9731 -4.0393 -4.0393 -2.3505 -2.3505 -1.7766 -1.7766 0.3892 0.3892 0.5890 0.5890 5.2984 5.2984 5.3261 5.3261 7.1995 7.1995 7.4709 7.4709 7.5429 7.5429 8.3183 8.3183 9.0127 9.0127 9.0539 9.0539 9.1408 9.1408 9.4860 9.4860 10.1466 10.1466 10.2186 10.2186 10.4356 10.4356 10.4575 10.4575 11.7585 11.7585 11.7832 11.7832 k = 0.2256 0.1650 1.1889 ( 3260 PWs) bands (ev): -16.9719 -16.9719 -4.0411 -4.0411 -2.3527 -2.3527 -1.7748 -1.7748 0.3874 0.3874 0.5987 0.5987 5.2881 5.2881 5.3131 5.3131 7.1958 7.1958 7.4806 7.4806 7.5383 7.5383 8.3243 8.3243 9.0403 9.0403 9.0551 9.0551 9.1324 9.1324 9.4571 9.4571 10.1507 10.1507 10.2068 10.2068 10.4222 10.4222 10.4403 10.4403 11.7540 11.7540 11.7773 11.7773 k = 0.2317 0.1510 1.2042 ( 3258 PWs) bands (ev): -16.9710 -16.9710 -4.0426 -4.0426 -2.3545 -2.3545 -1.7733 -1.7733 0.3859 0.3859 0.6063 0.6063 5.2797 5.2797 5.3033 5.3033 7.1931 7.1931 7.4869 7.4869 7.5358 7.5358 8.3288 8.3288 9.0538 9.0538 9.0695 9.0695 9.1257 9.1257 9.4299 9.4299 10.1528 10.1528 10.1973 10.1973 10.4130 10.4130 10.4266 10.4266 11.7507 11.7507 11.7728 11.7728 k = 0.2378 0.1371 1.2194 ( 3252 PWs) bands (ev): -16.9704 -16.9704 -4.0437 -4.0437 -2.3557 -2.3557 -1.7721 -1.7721 0.3848 0.3848 0.6118 0.6118 5.2733 5.2733 5.2964 5.2964 7.1912 7.1912 7.4901 7.4901 7.5353 7.5353 8.3319 8.3319 9.0553 9.0553 9.0921 9.0921 9.1210 9.1210 9.4067 9.4067 10.1525 10.1525 10.1914 10.1914 10.4071 10.4071 10.4165 10.4165 11.7484 11.7484 11.7698 11.7698 k = 0.2439 0.1231 1.2347 ( 3256 PWs) bands (ev): -16.9700 -16.9700 -4.0443 -4.0443 -2.3565 -2.3565 -1.7715 -1.7715 0.3842 0.3842 0.6152 0.6152 5.2694 5.2694 5.2924 5.2924 7.1901 7.1901 7.4914 7.4914 7.5356 7.5356 8.3337 8.3337 9.0560 9.0560 9.1069 9.1069 9.1196 9.1196 9.3903 9.3903 10.1511 10.1511 10.1888 10.1888 10.4042 10.4042 10.4100 10.4100 11.7470 11.7470 11.7679 11.7679 k = 0.2500 0.1091 1.2499 ( 3248 PWs) bands (ev): -16.9699 -16.9699 -4.0445 -4.0445 -2.3567 -2.3567 -1.7712 -1.7712 0.3839 0.3839 0.6163 0.6163 5.2681 5.2681 5.2911 5.2911 7.1897 7.1897 7.4917 7.4917 7.5358 7.5358 8.3343 8.3343 9.0562 9.0562 9.1105 9.1105 9.1211 9.1211 9.3843 9.3843 10.1504 10.1504 10.1883 10.1883 10.4034 10.4034 10.4077 10.4077 11.7466 11.7466 11.7673 11.7673 k = 0.2500 0.1091 1.2499 ( 3248 PWs) bands (ev): -16.9699 -16.9699 -4.0445 -4.0445 -2.3567 -2.3567 -1.7712 -1.7712 0.3839 0.3839 0.6163 0.6163 5.2681 5.2681 5.2911 5.2911 7.1897 7.1897 7.4917 7.4917 7.5358 7.5358 8.3343 8.3343 9.0562 9.0562 9.1105 9.1105 9.1211 9.1211 9.3843 9.3843 10.1504 10.1504 10.1883 10.1883 10.4034 10.4034 10.4077 10.4077 11.7466 11.7466 11.7673 11.7673 k = 0.2679 0.1169 1.2414 ( 3252 PWs) bands (ev): -16.9699 -16.9699 -4.0445 -4.0445 -2.3567 -2.3567 -1.7713 -1.7713 0.3840 0.3840 0.6161 0.6161 5.2539 5.2539 5.3063 5.3063 7.1892 7.1892 7.4712 7.4712 7.5558 7.5558 8.3366 8.3366 9.0532 9.0532 9.0980 9.0980 9.1328 9.1328 9.3865 9.3865 10.1346 10.1346 10.2046 10.2046 10.4032 10.4032 10.4084 10.4084 11.7452 11.7452 11.7684 11.7684 k = 0.2857 0.1247 1.2329 ( 3252 PWs) bands (ev): -16.9700 -16.9700 -4.0444 -4.0444 -2.3565 -2.3565 -1.7714 -1.7714 0.3840 0.3840 0.6156 0.6156 5.2343 5.2343 5.3293 5.3293 7.1877 7.1877 7.4372 7.4372 7.5880 7.5880 8.3431 8.3431 9.0440 9.0440 9.0811 9.0811 9.1480 9.1480 9.3930 9.3930 10.1082 10.1082 10.2325 10.2325 10.4030 10.4030 10.4098 10.4098 11.7409 11.7409 11.7721 11.7721 k = 0.3036 0.1325 1.2244 ( 3253 PWs) bands (ev): -16.9701 -16.9701 -4.0442 -4.0442 -2.3563 -2.3563 -1.7716 -1.7716 0.3842 0.3842 0.6147 0.6147 5.2156 5.2156 5.3537 5.3537 7.1854 7.1854 7.4019 7.4019 7.6202 7.6202 8.3538 8.3538 9.0272 9.0272 9.0652 9.0652 9.1635 9.1635 9.4031 9.4031 10.0810 10.0810 10.2620 10.2620 10.4027 10.4027 10.4118 10.4118 11.7355 11.7355 11.7764 11.7764 k = 0.3214 0.1403 1.2159 ( 3251 PWs) bands (ev): -16.9702 -16.9702 -4.0440 -4.0440 -2.3561 -2.3561 -1.7718 -1.7718 0.3846 0.3846 0.6133 0.6133 5.1989 5.1989 5.3786 5.3786 7.1824 7.1824 7.3669 7.3669 7.6509 7.6509 8.3682 8.3682 9.0021 9.0021 9.0526 9.0526 9.1790 9.1790 9.4158 9.4158 10.0547 10.0547 10.2913 10.2913 10.4025 10.4025 10.4142 10.4142 11.7297 11.7297 11.7808 11.7808 k = 0.3393 0.1481 1.2074 ( 3247 PWs) bands (ev): -16.9704 -16.9704 -4.0437 -4.0437 -2.3557 -2.3557 -1.7722 -1.7722 0.3852 0.3852 0.6113 0.6113 5.1844 5.1844 5.4034 5.4034 7.1788 7.1788 7.3330 7.3330 7.6793 7.6793 8.3857 8.3857 8.9709 8.9709 9.0427 9.0427 9.1942 9.1942 9.4303 9.4303 10.0298 10.0298 10.3194 10.3194 10.4023 10.4023 10.4172 10.4172 11.7238 11.7238 11.7850 11.7850 k = 0.3571 0.1559 1.1989 ( 3243 PWs) bands (ev): -16.9706 -16.9706 -4.0433 -4.0433 -2.3552 -2.3552 -1.7727 -1.7727 0.3861 0.3861 0.6086 0.6086 5.1724 5.1724 5.4278 5.4278 7.1749 7.1749 7.3009 7.3009 7.7051 7.7051 8.4059 8.4059 8.9354 8.9354 9.0344 9.0344 9.2088 9.2088 9.4457 9.4457 10.0067 10.0067 10.3450 10.3450 10.4021 10.4021 10.4210 10.4210 11.7182 11.7182 11.7888 11.7888 k = 0.3750 0.1637 1.1904 ( 3249 PWs) bands (ev): -16.9709 -16.9709 -4.0429 -4.0429 -2.3547 -2.3547 -1.7732 -1.7732 0.3873 0.3873 0.6053 0.6053 5.1631 5.1631 5.4514 5.4514 7.1709 7.1709 7.2710 7.2710 7.7281 7.7281 8.4278 8.4278 8.8971 8.8971 9.0275 9.0275 9.2228 9.2228 9.4616 9.4616 9.9858 9.9858 10.3669 10.3669 10.4021 10.4021 10.4264 10.4264 11.7129 11.7129 11.7922 11.7922 k = 0.3929 0.1715 1.1819 ( 3251 PWs) bands (ev): -16.9712 -16.9712 -4.0424 -4.0424 -2.3541 -2.3541 -1.7739 -1.7739 0.3889 0.3889 0.6013 0.6013 5.1567 5.1567 5.4738 5.4738 7.1670 7.1670 7.2440 7.2440 7.7481 7.7481 8.4506 8.4506 8.8571 8.8571 9.0219 9.0219 9.2359 9.2359 9.4775 9.4775 9.9673 9.9673 10.3835 10.3835 10.4023 10.4023 10.4343 10.4343 11.7082 11.7082 11.7951 11.7951 k = 0.4107 0.1793 1.1734 ( 3257 PWs) bands (ev): -16.9715 -16.9715 -4.0418 -4.0418 -2.3533 -2.3533 -1.7747 -1.7747 0.3908 0.3908 0.5966 0.5966 5.1530 5.1530 5.4945 5.4945 7.1634 7.1634 7.2202 7.2202 7.7649 7.7649 8.4734 8.4734 8.8164 8.8164 9.0177 9.0177 9.2478 9.2478 9.4934 9.4934 9.9514 9.9514 10.3932 10.3932 10.4038 10.4038 10.4449 10.4449 11.7043 11.7043 11.7976 11.7976 k = 0.4286 0.1871 1.1649 ( 3254 PWs) bands (ev): -16.9719 -16.9719 -4.0411 -4.0411 -2.3525 -2.3525 -1.7755 -1.7755 0.3931 0.3931 0.5913 0.5913 5.1523 5.1523 5.5132 5.5132 7.1604 7.1604 7.2002 7.2002 7.7783 7.7783 8.4949 8.4949 8.7764 8.7764 9.0149 9.0149 9.2584 9.2584 9.5091 9.5091 9.9385 9.9385 10.3965 10.3965 10.4075 10.4075 10.4567 10.4567 11.7014 11.7014 11.7997 11.7997 k = 0.4464 0.1949 1.1564 ( 3253 PWs) bands (ev): -16.9723 -16.9723 -4.0404 -4.0404 -2.3516 -2.3516 -1.7765 -1.7765 0.3957 0.3957 0.5852 0.5852 5.1545 5.1545 5.5295 5.5295 7.1580 7.1580 7.1843 7.1843 7.7880 7.7880 8.5129 8.5129 8.7392 8.7392 9.0134 9.0134 9.2675 9.2675 9.5245 9.5245 9.9285 9.9285 10.3971 10.3971 10.4115 10.4115 10.4677 10.4677 11.6998 11.6998 11.8013 11.8013 k = 0.4643 0.2026 1.1479 ( 3251 PWs) bands (ev): -16.9728 -16.9728 -4.0396 -4.0396 -2.3506 -2.3506 -1.7775 -1.7775 0.3986 0.3986 0.5786 0.5786 5.1594 5.1594 5.5431 5.5431 7.1565 7.1565 7.1729 7.1729 7.7938 7.7938 8.5243 8.5243 8.7085 8.7085 9.0132 9.0132 9.2749 9.2749 9.5396 9.5396 9.9216 9.9216 10.3970 10.3970 10.4152 10.4152 10.4766 10.4766 11.6995 11.6995 11.8025 11.8025 k = 0.4821 0.2104 1.1394 ( 3246 PWs) bands (ev): -16.9733 -16.9733 -4.0388 -4.0388 -2.3495 -2.3495 -1.7787 -1.7787 0.4017 0.4017 0.5715 0.5715 5.1670 5.1670 5.5538 5.5538 7.1560 7.1560 7.1662 7.1662 7.7954 7.7954 8.5242 8.5242 8.6895 8.6895 9.0142 9.0142 9.2806 9.2806 9.5544 9.5544 9.9179 9.9179 10.3965 10.3965 10.4187 10.4187 10.4830 10.4830 11.7007 11.7007 11.8033 11.8033 k = 0.5000 0.2182 1.1309 ( 3246 PWs) bands (ev): -16.9738 -16.9738 -4.0379 -4.0379 -2.3484 -2.3484 -1.7799 -1.7799 0.4050 0.4050 0.5640 0.5640 5.1770 5.1770 5.5613 5.5613 7.1565 7.1565 7.1645 7.1645 7.7924 7.7924 8.5097 8.5097 8.6854 8.6854 9.0161 9.0161 9.2842 9.2842 9.5688 9.5688 9.9174 9.9174 10.3959 10.3959 10.4222 10.4222 10.4868 10.4868 11.7035 11.7035 11.8037 11.8037 k = 0.5000 0.2182 1.1309 ( 3246 PWs) bands (ev): -16.9738 -16.9738 -4.0379 -4.0379 -2.3484 -2.3484 -1.7799 -1.7799 0.4050 0.4050 0.5640 0.5640 5.1770 5.1770 5.5613 5.5613 7.1565 7.1565 7.1645 7.1645 7.7924 7.7924 8.5097 8.5097 8.6854 8.6854 9.0161 9.0161 9.2842 9.2842 9.5688 9.5688 9.9174 9.9174 10.3959 10.3959 10.4222 10.4222 10.4868 10.4868 11.7035 11.7035 11.8037 11.8037 k = 0.5000 0.2182 1.1095 ( 3250 PWs) bands (ev): -16.9753 -16.9753 -4.0353 -4.0353 -2.3450 -2.3450 -1.7833 -1.7833 0.4139 0.4139 0.5435 0.5435 5.2075 5.2075 5.5777 5.5777 7.1592 7.1592 7.1663 7.1663 7.7779 7.7779 8.4560 8.4560 8.6933 8.6933 9.0207 9.0207 9.2918 9.2918 9.6063 9.6063 9.9202 9.9202 10.3941 10.3941 10.4323 10.4323 10.4942 10.4942 11.7136 11.7136 11.8041 11.8041 k = 0.5000 0.2182 1.0882 ( 3252 PWs) bands (ev): -16.9771 -16.9771 -4.0322 -4.0322 -2.3411 -2.3411 -1.7873 -1.7873 0.4240 0.4240 0.5205 0.5205 5.2419 5.2419 5.5967 5.5967 7.1620 7.1620 7.1683 7.1683 7.7615 7.7615 8.4001 8.4001 8.7028 8.7028 9.0234 9.0234 9.3006 9.3006 9.6464 9.6464 9.9233 9.9233 10.3921 10.3921 10.4443 10.4443 10.5034 10.5034 11.7251 11.7251 11.8046 11.8046 k = 0.5000 0.2182 1.0668 ( 3250 PWs) bands (ev): -16.9791 -16.9791 -4.0288 -4.0288 -2.3365 -2.3365 -1.7919 -1.7919 0.4350 0.4350 0.4953 0.4953 5.2800 5.2800 5.6183 5.6183 7.1647 7.1647 7.1706 7.1706 7.7434 7.7434 8.3429 8.3429 8.7138 8.7138 9.0242 9.0242 9.3106 9.3106 9.6884 9.6884 9.9269 9.9269 10.3898 10.3898 10.4581 10.4581 10.5145 10.5145 11.7384 11.7384 11.8053 11.8053 k = 0.5000 0.2182 1.0455 ( 3250 PWs) bands (ev): -16.9813 -16.9813 -4.0250 -4.0250 -2.3313 -2.3313 -1.7972 -1.7972 0.4457 0.4457 0.4692 0.4692 5.3214 5.3214 5.6425 5.6425 7.1668 7.1668 7.1729 7.1729 7.7239 7.7239 8.2850 8.2850 8.7266 8.7266 9.0233 9.0233 9.3217 9.3217 9.7318 9.7318 9.9311 9.9311 10.3874 10.3874 10.4739 10.4739 10.5276 10.5276 11.7532 11.7532 11.8061 11.8061 k = 0.5000 0.2182 1.0242 ( 3246 PWs) bands (ev): -16.9837 -16.9837 -4.0207 -4.0207 -2.3255 -2.3255 -1.8030 -1.8030 0.4356 0.4356 0.4630 0.4630 5.3656 5.3656 5.6692 5.6692 7.1683 7.1683 7.1754 7.1754 7.7035 7.7035 8.2270 8.2270 8.7411 8.7411 9.0207 9.0207 9.3340 9.3340 9.7760 9.7760 9.9356 9.9356 10.3847 10.3847 10.4917 10.4917 10.5430 10.5430 11.7693 11.7693 11.8076 11.8076 k = 0.5000 0.2182 1.0028 ( 3246 PWs) bands (ev): -16.9864 -16.9864 -4.0160 -4.0160 -2.3189 -2.3189 -1.8095 -1.8095 0.4061 0.4061 0.4755 0.4755 5.4121 5.4121 5.6985 5.6985 7.1687 7.1687 7.1779 7.1779 7.6825 7.6825 8.1693 8.1693 8.7575 8.7575 9.0166 9.0166 9.3474 9.3474 9.8208 9.8208 9.9406 9.9406 10.3819 10.3819 10.5116 10.5116 10.5609 10.5609 11.7853 11.7853 11.8108 11.8108 k = 0.5000 0.2182 0.9815 ( 3250 PWs) bands (ev): -16.9892 -16.9892 -4.0110 -4.0110 -2.3116 -2.3116 -1.8166 -1.8166 0.3747 0.3747 0.4895 0.4895 5.4605 5.4605 5.7302 5.7302 7.1675 7.1675 7.1804 7.1804 7.6615 7.6615 8.1124 8.1124 8.7756 8.7756 9.0110 9.0110 9.3619 9.3619 9.8657 9.8657 9.9463 9.9463 10.3789 10.3789 10.5337 10.5337 10.5812 10.5812 11.7968 11.7968 11.8206 11.8206 k = 0.5000 0.2182 0.9602 ( 3250 PWs) bands (ev): -16.9923 -16.9923 -4.0056 -4.0056 -2.3036 -2.3036 -1.8243 -1.8243 0.3423 0.3423 0.5039 0.5039 5.5103 5.5103 5.7643 5.7643 7.1641 7.1641 7.1830 7.1830 7.6410 7.6410 8.0565 8.0565 8.7957 8.7957 9.0040 9.0040 9.3775 9.3775 9.9100 9.9100 9.9534 9.9534 10.3759 10.3759 10.5580 10.5580 10.6042 10.6042 11.8012 11.8012 11.8395 11.8395 k = 0.5000 0.2182 0.9388 ( 3254 PWs) bands (ev): -16.9955 -16.9955 -3.9998 -3.9998 -2.2949 -2.2949 -1.8326 -1.8326 0.3094 0.3094 0.5186 0.5186 5.5611 5.5611 5.8007 5.8007 7.1581 7.1581 7.1855 7.1855 7.6219 7.6219 8.0021 8.0021 8.8176 8.8176 8.9957 8.9957 9.3940 9.3940 9.9475 9.9475 9.9676 9.9676 10.3728 10.3728 10.5847 10.5847 10.6299 10.6299 11.8028 11.8028 11.8633 11.8633 k = 0.5000 0.2182 0.9175 ( 3262 PWs) bands (ev): -16.9990 -16.9990 -3.9936 -3.9936 -2.2854 -2.2854 -1.8416 -1.8416 0.2763 0.2763 0.5333 0.5333 5.6124 5.6124 5.8394 5.8394 7.1489 7.1489 7.1879 7.1879 7.6046 7.6046 7.9493 7.9493 8.8415 8.8415 8.9859 8.9859 9.4115 9.4115 9.9616 9.9616 10.0058 10.0058 10.3699 10.3699 10.6137 10.6137 10.6585 10.6585 11.8035 11.8035 11.8902 11.8902 k = 0.5000 0.2182 0.8961 ( 3270 PWs) bands (ev): -17.0026 -17.0026 -3.9871 -3.9871 -2.2752 -2.2752 -1.8512 -1.8512 0.2433 0.2433 0.5478 0.5478 5.6638 5.6638 5.8804 5.8804 7.1361 7.1361 7.1903 7.1903 7.5898 7.5898 7.8985 7.8985 8.8674 8.8674 8.9749 8.9749 9.4299 9.4299 9.9703 9.9703 10.0500 10.0500 10.3670 10.3670 10.6450 10.6450 10.6899 10.6899 11.8039 11.8039 11.9200 11.9200 k = 0.5000 0.2182 0.8748 ( 3278 PWs) bands (ev): -17.0064 -17.0064 -3.9802 -3.9802 -2.2642 -2.2642 -1.8614 -1.8614 0.2106 0.2106 0.5621 0.5621 5.7149 5.7149 5.9235 5.9235 7.1193 7.1193 7.1924 7.1924 7.5780 7.5780 7.8499 7.8499 8.8950 8.8950 8.9626 8.9626 9.4491 9.4491 9.9788 9.9788 10.0944 10.0944 10.3645 10.3645 10.6787 10.6787 10.7244 10.7244 11.8039 11.8039 11.9525 11.9525 k = 0.5000 0.2182 0.8535 ( 3276 PWs) bands (ev): -17.0103 -17.0103 -3.9730 -3.9730 -2.2525 -2.2525 -1.8721 -1.8721 0.1785 0.1785 0.5758 0.5758 5.7652 5.7652 5.9686 5.9686 7.0985 7.0985 7.1944 7.1944 7.5694 7.5694 7.8037 7.8037 8.9247 8.9247 8.9490 8.9490 9.4692 9.4692 9.9880 9.9880 10.1384 10.1384 10.3623 10.3623 10.7148 10.7148 10.7619 10.7619 11.8038 11.8038 11.9881 11.9881 k = 0.5000 0.2182 0.8321 ( 3280 PWs) bands (ev): -17.0144 -17.0144 -3.9656 -3.9656 -2.2401 -2.2401 -1.8834 -1.8834 0.1471 0.1471 0.5889 0.5889 5.8144 5.8144 6.0157 6.0157 7.0737 7.0737 7.1962 7.1962 7.5641 7.5641 7.7601 7.7601 8.9340 8.9340 8.9561 8.9561 9.4900 9.4900 9.9978 9.9978 10.1815 10.1815 10.3611 10.3611 10.7532 10.7532 10.8025 10.8025 11.8035 11.8035 12.0267 12.0267 k = 0.5000 0.2182 0.8108 ( 3266 PWs) bands (ev): -17.0186 -17.0186 -3.9578 -3.9578 -2.2270 -2.2270 -1.8950 -1.8950 0.1166 0.1166 0.6012 0.6012 5.8622 5.8622 6.0648 6.0648 7.0454 7.0454 7.1977 7.1977 7.5619 7.5619 7.7193 7.7193 8.9181 8.9181 8.9893 8.9893 9.5116 9.5116 10.0084 10.0084 10.2229 10.2229 10.3614 10.3614 10.7938 10.7938 10.8462 10.8462 11.8030 11.8030 12.0687 12.0687 k = 0.5000 0.2182 0.7895 ( 3272 PWs) bands (ev): -17.0229 -17.0229 -3.9499 -3.9499 -2.2132 -2.2132 -1.9070 -1.9070 0.0872 0.0872 0.6124 0.6124 5.9082 5.9082 6.1156 6.1156 7.0139 7.0139 7.1988 7.1988 7.5625 7.5625 7.6814 7.6814 8.9009 8.9009 9.0240 9.0240 9.5336 9.5336 10.0198 10.0198 10.2609 10.2609 10.3646 10.3646 10.8365 10.8365 10.8929 10.8929 11.8023 11.8023 12.1142 12.1142 k = 0.5000 0.2182 0.7681 ( 3268 PWs) bands (ev): -17.0273 -17.0273 -3.9417 -3.9417 -2.1990 -2.1990 -1.9192 -1.9192 0.0590 0.0590 0.6226 0.6226 5.9523 5.9523 6.1681 6.1681 6.9798 6.9798 7.1997 7.1997 7.5657 7.5657 7.6465 7.6465 8.8827 8.8827 9.0602 9.0602 9.5560 9.5560 10.0320 10.0320 10.2922 10.2922 10.3743 10.3743 10.8813 10.8813 10.9424 10.9424 11.8013 11.8013 12.1633 12.1633 k = 0.5000 0.2182 0.7468 ( 3264 PWs) bands (ev): -17.0318 -17.0318 -3.9333 -3.9333 -2.1844 -2.1844 -1.9313 -1.9313 0.0321 0.0321 0.6315 0.6315 5.9941 5.9941 6.2223 6.2223 6.9435 6.9435 7.2002 7.2002 7.5711 7.5711 7.6146 7.6146 8.8635 8.8635 9.0978 9.0978 9.5787 9.5787 10.0451 10.0451 10.3122 10.3122 10.3948 10.3948 10.9282 10.9282 10.9945 10.9945 11.8001 11.8001 12.2163 12.2163 k = 0.5000 0.2182 0.7255 ( 3264 PWs) bands (ev): -17.0364 -17.0364 -3.9248 -3.9248 -2.1696 -2.1696 -1.9432 -1.9432 0.0065 0.0065 0.6391 0.6391 6.0336 6.0336 6.2780 6.2780 6.9057 6.9057 7.2003 7.2003 7.5782 7.5782 7.5859 7.5859 8.8434 8.8434 9.1367 9.1367 9.6016 9.6016 10.0591 10.0591 10.3221 10.3221 10.4250 10.4250 10.9772 10.9772 11.0488 11.0488 11.7986 11.7986 12.2731 12.2731 k = 0.5000 0.2182 0.7041 ( 3268 PWs) bands (ev): -17.0411 -17.0411 -3.9161 -3.9161 -2.1550 -2.1550 -1.9544 -1.9544 -0.0176 -0.0176 0.6451 0.6451 6.0705 6.0705 6.3352 6.3352 6.8666 6.8666 7.2000 7.2000 7.5598 7.5598 7.5873 7.5873 8.8223 8.8223 9.1766 9.1766 9.6244 9.6244 10.0739 10.0739 10.3271 10.3271 10.4596 10.4596 11.0282 11.0282 11.1046 11.1046 11.7968 11.7968 12.3339 12.3339 k = 0.5000 0.2182 0.6828 ( 3268 PWs) bands (ev): -17.0458 -17.0458 -3.9074 -3.9074 -2.1411 -2.1411 -1.9643 -1.9643 -0.0402 -0.0402 0.6496 0.6496 6.1049 6.1049 6.3936 6.3936 6.8267 6.8267 7.1993 7.1993 7.5369 7.5369 7.5975 7.5975 8.8006 8.8006 9.2175 9.2175 9.6470 9.6470 10.0897 10.0897 10.3306 10.3306 10.4954 10.4954 11.0813 11.0813 11.1613 11.1613 11.7947 11.7947 12.3986 12.3986 k = 0.5000 0.2182 0.6614 ( 3266 PWs) bands (ev): -17.0506 -17.0506 -3.8987 -3.8987 -2.1287 -2.1287 -1.9720 -1.9720 -0.0614 -0.0614 0.6524 0.6524 6.1368 6.1368 6.4532 6.4532 6.7865 6.7865 7.1982 7.1982 7.5168 7.5168 7.6090 7.6090 8.7781 8.7781 9.2591 9.2591 9.6692 9.6692 10.1064 10.1064 10.3340 10.3340 10.5310 10.5310 11.1364 11.1364 11.2182 11.2182 11.7924 11.7924 12.4671 12.4671 k = 0.5000 0.2182 0.6401 ( 3266 PWs) bands (ev): -17.0554 -17.0554 -3.8900 -3.8900 -2.1189 -2.1189 -1.9764 -1.9764 -0.0810 -0.0810 0.6534 0.6534 6.1662 6.1662 6.5136 6.5136 6.7464 6.7464 7.1967 7.1967 7.4993 7.4993 7.6215 7.6215 8.7550 8.7550 9.3014 9.3014 9.6907 9.6907 10.1240 10.1240 10.3380 10.3380 10.5657 10.5657 11.1935 11.1935 11.2740 11.2740 11.7896 11.7896 12.5392 12.5392 k = 0.5000 0.2182 0.6188 ( 3266 PWs) bands (ev): -17.0602 -17.0602 -3.8813 -3.8813 -2.1130 -2.1130 -1.9761 -1.9761 -0.0992 -0.0992 0.6526 0.6526 6.1934 6.1934 6.5738 6.5738 6.7075 6.7075 7.1948 7.1948 7.4842 7.4842 7.6350 7.6350 8.7313 8.7313 9.3441 9.3441 9.7113 9.7113 10.1424 10.1424 10.3431 10.3431 10.5993 10.5993 11.2524 11.2524 11.3275 11.3275 11.7864 11.7864 12.6145 12.6145 k = 0.5000 0.2182 0.5974 ( 3260 PWs) bands (ev): -17.0650 -17.0650 -3.8728 -3.8728 -2.1118 -2.1118 -1.9703 -1.9703 -0.1160 -0.1160 0.6500 0.6500 6.2186 6.2186 6.6259 6.6259 6.6780 6.6780 7.1925 7.1925 7.4712 7.4712 7.6493 7.6493 8.7073 8.7073 9.3871 9.3871 9.7307 9.7307 10.1615 10.1615 10.3498 10.3498 10.6315 10.6315 11.3130 11.3130 11.3772 11.3772 11.7829 11.7829 12.6926 12.6926 k = 0.5000 0.2182 0.5761 ( 3268 PWs) bands (ev): -17.0698 -17.0698 -3.8644 -3.8644 -2.1148 -2.1148 -1.9593 -1.9593 -0.1314 -0.1314 0.6455 0.6455 6.2418 6.2418 6.6160 6.6160 6.7116 6.7116 7.1898 7.1898 7.4599 7.4599 7.6643 7.6643 8.6829 8.6829 9.4301 9.4301 9.7484 9.7484 10.1815 10.1815 10.3581 10.3581 10.6623 10.6623 11.3744 11.3744 11.4222 11.4222 11.7789 11.7789 12.7729 12.7729 k = 0.5000 0.2182 0.5548 ( 3256 PWs) bands (ev): -17.0745 -17.0745 -3.8562 -3.8562 -2.1211 -2.1211 -1.9440 -1.9440 -0.1454 -0.1454 0.6391 0.6391 6.2636 6.2636 6.5798 6.5798 6.7728 6.7728 7.1869 7.1869 7.4502 7.4502 7.6800 7.6800 8.6582 8.6582 9.4731 9.4731 9.7645 9.7645 10.2023 10.2023 10.3685 10.3685 10.6917 10.6917 11.4321 11.4321 11.4649 11.4649 11.7745 11.7745 12.8546 12.8546 k = 0.5000 0.2182 0.5334 ( 3272 PWs) bands (ev): -17.0792 -17.0792 -3.8483 -3.8483 -2.1294 -2.1294 -1.9256 -1.9256 -0.1581 -0.1581 0.6308 0.6308 6.2841 6.2841 6.5421 6.5421 6.8368 6.8368 7.1835 7.1835 7.4415 7.4415 7.6963 7.6963 8.6334 8.6334 9.5158 9.5158 9.7783 9.7783 10.2235 10.2235 10.3811 10.3811 10.7195 10.7195 11.4702 11.4702 11.5195 11.5195 11.7694 11.7694 12.9369 12.9369 k = 0.5000 0.2182 0.5121 ( 3270 PWs) bands (ev): -17.0839 -17.0839 -3.8407 -3.8407 -2.1389 -2.1389 -1.9050 -1.9050 -0.1696 -0.1696 0.6207 0.6207 6.3037 6.3037 6.5047 6.5047 6.9017 6.9017 7.1799 7.1799 7.4337 7.4337 7.7131 7.7131 8.6086 8.6086 9.5581 9.5581 9.7899 9.7899 10.2454 10.2454 10.3960 10.3960 10.7461 10.7461 11.4882 11.4882 11.5854 11.5854 11.7639 11.7639 13.0184 13.0184 k = 0.5000 0.2182 0.4907 ( 3274 PWs) bands (ev): -17.0885 -17.0885 -3.8334 -3.8334 -2.1489 -2.1489 -1.8829 -1.8829 -0.1800 -0.1800 0.6088 0.6088 6.3226 6.3226 6.4680 6.4680 6.9670 6.9670 7.1760 7.1760 7.4264 7.4264 7.7303 7.7303 8.5838 8.5838 9.5997 9.5997 9.7990 9.7990 10.2678 10.2678 10.4132 10.4132 10.7713 10.7713 11.4927 11.4927 11.6553 11.6553 11.7577 11.7577 13.0978 13.0979 k = 0.5000 0.2182 0.4694 ( 3274 PWs) bands (ev): -17.0930 -17.0930 -3.8265 -3.8265 -2.1589 -2.1589 -1.8595 -1.8595 -0.1892 -0.1892 0.5952 0.5952 6.3410 6.3410 6.4324 6.4324 7.0323 7.0323 7.1719 7.1719 7.4193 7.4193 7.7479 7.7479 8.5591 8.5591 9.6404 9.6404 9.8054 9.8054 10.2908 10.2908 10.4329 10.4329 10.7951 10.7951 11.4858 11.4858 11.7276 11.7276 11.7511 11.7511 13.0466 13.0466 k = 0.5000 0.2182 0.4481 ( 3258 PWs) bands (ev): -17.0974 -17.0974 -3.8201 -3.8201 -2.1686 -2.1686 -1.8353 -1.8353 -0.1974 -0.1974 0.5799 0.5799 6.3593 6.3593 6.3981 6.3981 7.0975 7.0975 7.1676 7.1676 7.4122 7.4122 7.7658 7.7658 8.5348 8.5348 9.6801 9.6801 9.8095 9.8095 10.3142 10.3142 10.4549 10.4549 10.8178 10.8178 11.4693 11.4693 11.7437 11.7437 11.8021 11.8021 12.9519 12.9519 k = 0.5000 0.2182 0.4267 ( 3248 PWs) bands (ev): -17.1017 -17.1017 -3.8140 -3.8140 -2.1779 -2.1779 -1.8104 -1.8104 -0.2046 -0.2046 0.5630 0.5630 6.3634 6.3634 6.3792 6.3792 7.1599 7.1599 7.1656 7.1656 7.4049 7.4049 7.7839 7.7839 8.5107 8.5107 9.7183 9.7183 9.8110 9.8110 10.3381 10.3381 10.4792 10.4792 10.8393 10.8393 11.4447 11.4447 11.7358 11.7358 11.8781 11.8781 12.8594 12.8594 k = 0.5000 0.2182 0.4054 ( 3246 PWs) bands (ev): -17.1059 -17.1059 -3.8085 -3.8085 -2.1867 -2.1867 -1.7851 -1.7851 -0.2109 -0.2109 0.5447 0.5447 6.3321 6.3321 6.3973 6.3973 7.1584 7.1584 7.2264 7.2264 7.3973 7.3973 7.8021 7.8021 8.4872 8.4872 9.7541 9.7541 9.8108 9.8108 10.3619 10.3619 10.5054 10.5054 10.8596 10.8596 11.4143 11.4143 11.7273 11.7273 11.9557 11.9557 12.7700 12.7700 k = 0.5000 0.2182 0.3841 ( 3252 PWs) bands (ev): -17.1100 -17.1100 -3.8034 -3.8034 -2.1948 -2.1948 -1.7594 -1.7594 -0.2164 -0.2164 0.5251 0.5251 6.3016 6.3016 6.4166 6.4166 7.1538 7.1538 7.2883 7.2883 7.3903 7.3903 7.8203 7.8203 8.4640 8.4640 9.7835 9.7835 9.8130 9.8130 10.3858 10.3858 10.5333 10.5333 10.8788 10.8788 11.3799 11.3799 11.7182 11.7182 12.0348 12.0348 12.6841 12.6841 k = 0.5000 0.2182 0.3627 ( 3252 PWs) bands (ev): -17.1139 -17.1139 -3.7988 -3.7988 -2.2021 -2.2021 -1.7336 -1.7336 -0.2211 -0.2211 0.5044 0.5044 6.2723 6.2723 6.4365 6.4365 7.1491 7.1491 7.3415 7.3415 7.3901 7.3901 7.8385 7.8385 8.4417 8.4417 9.7909 9.7909 9.8330 9.8330 10.4095 10.4095 10.5629 10.5629 10.8970 10.8970 11.3434 11.3434 11.7085 11.7085 12.1151 12.1151 12.6019 12.6019 k = 0.5000 0.2182 0.3414 ( 3252 PWs) bands (ev): -17.1176 -17.1176 -3.7946 -3.7946 -2.2087 -2.2087 -1.7078 -1.7078 -0.2251 -0.2251 0.4827 0.4827 6.2446 6.2446 6.4572 6.4572 7.1444 7.1444 7.3553 7.3553 7.4271 7.4271 7.8565 7.8565 8.4200 8.4200 9.7849 9.7849 9.8623 9.8623 10.4329 10.4329 10.5940 10.5940 10.9141 10.9141 11.3062 11.3062 11.6981 11.6981 12.1964 12.1964 12.5236 12.5236 k = 0.5000 0.2182 0.3201 ( 3248 PWs) bands (ev): -17.1212 -17.1212 -3.7910 -3.7910 -2.2146 -2.2146 -1.6821 -1.6821 -0.2284 -0.2284 0.4602 0.4602 6.2183 6.2183 6.4788 6.4788 7.1398 7.1398 7.3468 7.3468 7.4839 7.4839 7.8742 7.8742 8.3993 8.3993 9.7751 9.7751 9.8911 9.8911 10.4558 10.4558 10.6261 10.6261 10.9302 10.9302 11.2696 11.2696 11.6870 11.6870 12.2784 12.2784 12.4496 12.4496 k = 0.5000 0.2182 0.2987 ( 3248 PWs) bands (ev): -17.1246 -17.1246 -3.7878 -3.7878 -2.2197 -2.2197 -1.6567 -1.6567 -0.2311 -0.2311 0.4372 0.4372 6.1936 6.1936 6.5011 6.5011 7.1353 7.1353 7.3342 7.3342 7.5420 7.5420 7.8915 7.8915 8.3794 8.3794 9.7631 9.7631 9.9180 9.9180 10.4780 10.4780 10.6591 10.6591 10.9452 10.9452 11.2347 11.2347 11.6751 11.6751 12.3586 12.3586 12.3823 12.3823 k = 0.5000 0.2182 0.2774 ( 3262 PWs) bands (ev): -17.1278 -17.1278 -3.7851 -3.7851 -2.2241 -2.2241 -1.6318 -1.6318 -0.2332 -0.2332 0.4138 0.4138 6.1705 6.1705 6.5243 6.5243 7.1309 7.1309 7.3195 7.3195 7.5990 7.5990 7.9083 7.9083 8.3605 8.3605 9.7493 9.7493 9.9424 9.9424 10.4994 10.4994 10.6927 10.6927 10.9592 10.9592 11.2022 11.2022 11.6624 11.6624 12.3134 12.3134 12.4450 12.4450 k = 0.5000 0.2182 0.2560 ( 3264 PWs) bands (ev): -17.1308 -17.1308 -3.7827 -3.7827 -2.2278 -2.2278 -1.6075 -1.6075 -0.2348 -0.2348 0.3904 0.3904 6.1490 6.1490 6.5482 6.5482 7.1266 7.1266 7.3033 7.3033 7.6541 7.6541 7.9246 7.9246 8.3429 8.3429 9.7343 9.7343 9.9642 9.9642 10.5198 10.5198 10.7268 10.7268 10.9721 10.9721 11.1729 11.1729 11.6488 11.6488 12.2529 12.2529 12.5275 12.5275 k = 0.5000 0.2182 0.2347 ( 3260 PWs) bands (ev): -17.1336 -17.1336 -3.7807 -3.7807 -2.2309 -2.2309 -1.5841 -1.5841 -0.2359 -0.2359 0.3672 0.3672 6.1292 6.1292 6.5729 6.5729 7.1226 7.1226 7.2857 7.2857 7.7070 7.7070 7.9401 7.9401 8.3264 8.3264 9.7183 9.7183 9.9833 9.9833 10.5392 10.5392 10.7608 10.7608 10.9839 10.9839 11.1472 11.1472 11.6343 11.6343 12.1969 12.1969 12.6096 12.6096 k = 0.5000 0.2182 0.2134 ( 3264 PWs) bands (ev): -17.1362 -17.1362 -3.7791 -3.7791 -2.2334 -2.2334 -1.5617 -1.5617 -0.2366 -0.2366 0.3444 0.3444 6.1110 6.1110 6.5982 6.5982 7.1187 7.1187 7.2668 7.2668 7.7572 7.7572 7.9548 7.9548 8.3112 8.3112 9.7016 9.7016 9.9996 9.9996 10.5573 10.5573 10.7944 10.7944 10.9945 10.9945 11.1255 11.1255 11.6188 11.6188 12.1458 12.1458 12.6905 12.6905 k = 0.5000 0.2182 0.1920 ( 3272 PWs) bands (ev): -17.1386 -17.1386 -3.7778 -3.7778 -2.2354 -2.2354 -1.5404 -1.5404 -0.2369 -0.2369 0.3224 0.3224 6.0945 6.0945 6.6239 6.6239 7.1152 7.1152 7.2468 7.2468 7.8044 7.8044 7.9685 7.9685 8.2972 8.2972 9.6847 9.6847 10.0132 10.0132 10.5741 10.5741 10.8273 10.8273 11.0038 11.0038 11.1080 11.1080 11.6025 11.6025 12.0997 12.0997 12.7694 12.7694 k = 0.5000 0.2182 0.1707 ( 3272 PWs) bands (ev): -17.1407 -17.1407 -3.7768 -3.7768 -2.2370 -2.2370 -1.5207 -1.5207 -0.2369 -0.2369 0.3015 0.3015 6.0797 6.0797 6.6499 6.6499 7.1119 7.1119 7.2260 7.2260 7.8481 7.8481 7.9813 7.9813 8.2847 8.2847 9.6678 9.6678 10.0244 10.0244 10.5894 10.5894 10.8588 10.8588 11.0117 11.0117 11.0948 11.0948 11.5853 11.5853 12.0588 12.0588 12.8455 12.8456 k = 0.5000 0.2182 0.1494 ( 3264 PWs) bands (ev): -17.1426 -17.1426 -3.7759 -3.7759 -2.2382 -2.2382 -1.5025 -1.5025 -0.2366 -0.2366 0.2820 0.2820 6.0666 6.0666 6.6758 6.6758 7.1090 7.1090 7.2046 7.2046 7.8880 7.8880 7.9929 7.9929 8.2736 8.2736 9.6515 9.6515 10.0332 10.0332 10.6032 10.6032 10.8882 10.8882 11.0186 11.0186 11.0859 11.0859 11.5675 11.5675 12.0230 12.0230 12.9179 12.9179 k = 0.5000 0.2182 0.1280 ( 3256 PWs) bands (ev): -17.1443 -17.1443 -3.7753 -3.7753 -2.2391 -2.2391 -1.4863 -1.4863 -0.2362 -0.2362 0.2643 0.2643 6.0552 6.0552 6.7012 6.7012 7.1064 7.1064 7.1832 7.1832 7.9234 7.9234 8.0035 8.0035 8.2639 8.2639 9.6361 9.6361 10.0399 10.0399 10.6154 10.6154 10.9144 10.9144 11.0248 11.0248 11.0809 11.0809 11.5495 11.5495 11.9925 11.9925 12.9852 12.9852 k = 0.5000 0.2182 0.1067 ( 3254 PWs) bands (ev): -17.1457 -17.1457 -3.7748 -3.7748 -2.2398 -2.2398 -1.4721 -1.4721 -0.2356 -0.2356 0.2485 0.2485 6.0456 6.0456 6.7255 6.7255 7.1042 7.1042 7.1621 7.1621 7.9540 7.9540 8.0130 8.0130 8.2557 8.2557 9.6221 9.6221 10.0449 10.0449 10.6257 10.6257 10.9363 10.9363 11.0316 11.0316 11.0790 11.0790 11.5317 11.5317 11.9670 11.9670 13.0462 13.0462 k = 0.5000 0.2182 0.0853 ( 3254 PWs) bands (ev): -17.1469 -17.1469 -3.7745 -3.7745 -2.2403 -2.2403 -1.4602 -1.4602 -0.2350 -0.2350 0.2352 0.2352 6.0377 6.0377 6.7481 6.7481 7.1023 7.1023 7.1422 7.1422 7.9790 7.9790 8.0215 8.0215 8.2490 8.2490 9.6099 9.6099 10.0485 10.0485 10.6343 10.6343 10.9527 10.9527 11.0396 11.0396 11.0791 11.0791 11.5149 11.5149 11.9464 11.9464 13.0992 13.0992 k = 0.5000 0.2182 0.0640 ( 3254 PWs) bands (ev): -17.1478 -17.1478 -3.7743 -3.7743 -2.2406 -2.2406 -1.4507 -1.4507 -0.2345 -0.2345 0.2245 0.2245 6.0315 6.0315 6.7680 6.7680 7.1008 7.1008 7.1245 7.1245 7.9978 7.9978 8.0293 8.0293 8.2438 8.2438 9.5999 9.5999 10.0509 10.0509 10.6411 10.6411 10.9635 10.9635 11.0487 11.0487 11.0804 11.0804 11.5001 11.5001 11.9307 11.9307 13.1427 13.1427 k = 0.5000 0.2182 0.0427 ( 3254 PWs) bands (ev): -17.1484 -17.1484 -3.7741 -3.7741 -2.2408 -2.2408 -1.4438 -1.4438 -0.2340 -0.2340 0.2166 0.2166 6.0271 6.0271 6.7837 6.7837 7.0997 7.0997 7.1102 7.1102 8.0100 8.0100 8.0363 8.0363 8.2400 8.2400 9.5925 9.5925 10.0524 10.0524 10.6459 10.6459 10.9698 10.9698 11.0571 11.0571 11.0823 11.0823 11.4883 11.4883 11.9196 11.9196 13.1751 13.1751 k = 0.5000 0.2182 0.0213 ( 3236 PWs) bands (ev): -17.1488 -17.1488 -3.7740 -3.7740 -2.2409 -2.2409 -1.4396 -1.4396 -0.2337 -0.2337 0.2118 0.2118 6.0245 6.0245 6.7941 6.7941 7.0985 7.0985 7.1014 7.1014 8.0165 8.0165 8.0416 8.0416 8.2379 8.2379 9.5880 9.5880 10.0532 10.0532 10.6490 10.6490 10.9731 10.9731 11.0628 11.0628 11.0841 11.0841 11.4808 11.4808 11.9130 11.9130 13.1948 13.1948 k = 0.5000 0.2182-0.0000 ( 3218 PWs) bands (ev): -17.1490 -17.1490 -3.7740 -3.7740 -2.2409 -2.2409 -1.4382 -1.4382 -0.2336 -0.2336 0.2102 0.2102 6.0237 6.0237 6.7977 6.7977 7.0968 7.0968 7.0998 7.0998 8.0185 8.0185 8.0435 8.0435 8.2372 8.2372 9.5865 9.5865 10.0535 10.0535 10.6501 10.6501 10.9741 10.9741 11.0647 11.0647 11.0849 11.0849 11.4783 11.4783 11.9109 11.9109 13.1994 13.1994 k = 0.0000 0.0000 1.2499 ( 3264 PWs) bands (ev): -16.9699 -16.9699 -4.0445 -4.0445 -2.3567 -2.3567 -1.7712 -1.7712 0.3812 0.3812 0.6194 0.6194 5.0967 5.0967 5.5178 5.5178 7.1481 7.1481 7.1589 7.1589 7.8315 7.8315 8.6637 8.6637 8.6950 8.6950 8.9780 8.9780 9.2629 9.2629 9.4569 9.4569 9.9099 9.9099 10.3942 10.3942 10.4036 10.4036 10.4697 10.4697 11.6755 11.6755 11.8047 11.8047 k = 0.0192 0.0084 1.2499 ( 3274 PWs) bands (ev): -16.9699 -16.9699 -4.0445 -4.0445 -2.3567 -2.3567 -1.7712 -1.7712 0.3812 0.3812 0.6193 0.6193 5.0979 5.0979 5.5157 5.5157 7.1487 7.1487 7.1617 7.1617 7.8292 7.8292 8.6358 8.6358 8.7232 8.7232 8.9791 8.9791 9.2616 9.2616 9.4560 9.4560 9.9119 9.9119 10.3938 10.3938 10.4036 10.4036 10.4676 10.4676 11.6762 11.6762 11.8044 11.8044 k = 0.0385 0.0168 1.2499 ( 3266 PWs) bands (ev): -16.9699 -16.9699 -4.0445 -4.0445 -2.3567 -2.3567 -1.7712 -1.7712 0.3813 0.3813 0.6192 0.6192 5.1015 5.1015 5.5096 5.5096 7.1504 7.1504 7.1702 7.1702 7.8224 7.8224 8.5971 8.5971 8.7625 8.7625 8.9823 8.9823 9.2579 9.2579 9.4539 9.4539 9.9177 9.9177 10.3929 10.3929 10.4036 10.4036 10.4616 10.4616 11.6785 11.6785 11.8036 11.8036 k = 0.0577 0.0252 1.2499 ( 3266 PWs) bands (ev): -16.9699 -16.9699 -4.0445 -4.0445 -2.3567 -2.3567 -1.7712 -1.7712 0.3815 0.3815 0.6190 0.6190 5.1075 5.1075 5.4996 5.4996 7.1532 7.1532 7.1841 7.1841 7.8112 7.8112 8.5586 8.5586 8.8021 8.8021 8.9876 8.9876 9.2519 9.2519 9.4501 9.4501 9.9273 9.9273 10.3909 10.3909 10.4037 10.4037 10.4522 10.4522 11.6823 11.6823 11.8023 11.8023 k = 0.0769 0.0336 1.2499 ( 3262 PWs) bands (ev): -16.9699 -16.9699 -4.0445 -4.0445 -2.3567 -2.3567 -1.7712 -1.7712 0.3818 0.3818 0.6187 0.6187 5.1158 5.1158 5.4861 5.4861 7.1568 7.1568 7.2031 7.2031 7.7957 7.7957 8.5215 8.5215 8.8409 8.8409 8.9948 8.9948 9.2437 9.2437 9.4449 9.4449 9.9404 9.9404 10.3870 10.3870 10.4037 10.4037 10.4404 10.4404 11.6873 11.6873 11.8005 11.8005 k = 0.0962 0.0420 1.2499 ( 3254 PWs) bands (ev): -16.9699 -16.9699 -4.0445 -4.0445 -2.3567 -2.3567 -1.7712 -1.7712 0.3821 0.3821 0.6184 0.6184 5.1264 5.1264 5.4694 5.4694 7.1611 7.1611 7.2267 7.2267 7.7762 7.7762 8.4863 8.4863 8.8783 8.8783 9.0038 9.0038 9.2337 9.2337 9.4385 9.4385 9.9568 9.9568 10.3795 10.3795 10.4038 10.4038 10.4287 10.4287 11.6934 11.6934 11.7982 11.7982 k = 0.1154 0.0504 1.2499 ( 3248 PWs) bands (ev): -16.9699 -16.9699 -4.0445 -4.0445 -2.3567 -2.3567 -1.7712 -1.7712 0.3824 0.3824 0.6180 0.6180 5.1392 5.1392 5.4500 5.4500 7.1659 7.1659 7.2543 7.2543 7.7530 7.7530 8.4536 8.4536 8.9138 8.9138 9.0144 9.0144 9.2221 9.2221 9.4310 9.4310 9.9760 9.9760 10.3661 10.3661 10.4039 10.4039 10.4196 10.4196 11.7003 11.7003 11.7954 11.7954 k = 0.1346 0.0588 1.2499 ( 3248 PWs) bands (ev): -16.9699 -16.9699 -4.0445 -4.0445 -2.3567 -2.3567 -1.7712 -1.7712 0.3827 0.3827 0.6176 0.6176 5.1541 5.1541 5.4285 5.4285 7.1708 7.1708 7.2854 7.2854 7.7264 7.7264 8.4239 8.4239 8.9468 8.9468 9.0264 9.0264 9.2090 9.2090 9.4227 9.4227 9.9979 9.9979 10.3463 10.3463 10.4040 10.4040 10.4140 10.4140 11.7077 11.7077 11.7920 11.7920 k = 0.1538 0.0671 1.2499 ( 3246 PWs) bands (ev): -16.9699 -16.9699 -4.0445 -4.0445 -2.3567 -2.3567 -1.7712 -1.7712 0.3831 0.3831 0.6173 0.6173 5.1709 5.1709 5.4053 5.4053 7.1758 7.1758 7.3193 7.3193 7.6968 7.6968 8.3977 8.3977 8.9769 8.9769 9.0397 9.0397 9.1948 9.1948 9.4139 9.4139 10.0221 10.0221 10.3219 10.3219 10.4040 10.4040 10.4109 10.4109 11.7155 11.7155 11.7881 11.7882 k = 0.1731 0.0755 1.2499 ( 3252 PWs) bands (ev): -16.9699 -16.9699 -4.0445 -4.0445 -2.3567 -2.3567 -1.7712 -1.7712 0.3834 0.3834 0.6169 0.6169 5.1895 5.1895 5.3809 5.3809 7.1803 7.1803 7.3554 7.3554 7.6645 7.6645 8.3755 8.3755 9.0032 9.0032 9.0538 9.0538 9.1798 9.1798 9.4051 9.4051 10.0483 10.0483 10.2944 10.2944 10.4039 10.4039 10.4092 10.4092 11.7232 11.7232 11.7838 11.7838 k = 0.1923 0.0839 1.2499 ( 3262 PWs) bands (ev): -16.9699 -16.9699 -4.0445 -4.0445 -2.3567 -2.3567 -1.7712 -1.7712 0.3836 0.3836 0.6166 0.6166 5.2098 5.2098 5.3559 5.3559 7.1842 7.1842 7.3929 7.3929 7.6302 7.6302 8.3578 8.3578 9.0251 9.0251 9.0687 9.0687 9.1641 9.1641 9.3970 9.3970 10.0759 10.0759 10.2652 10.2652 10.4038 10.4038 10.4082 10.4082 11.7308 11.7308 11.7791 11.7791 k = 0.2115 0.0923 1.2499 ( 3254 PWs) bands (ev): -16.9699 -16.9699 -4.0445 -4.0445 -2.3567 -2.3567 -1.7712 -1.7712 0.3838 0.3838 0.6164 0.6164 5.2313 5.2313 5.3308 5.3308 7.1872 7.1872 7.4310 7.4310 7.5945 7.5945 8.3448 8.3448 9.0419 9.0419 9.0841 9.0841 9.1481 9.1481 9.3904 9.3904 10.1045 10.1045 10.2352 10.2352 10.4038 10.4038 10.4078 10.4078 11.7378 11.7378 11.7742 11.7742 k = 0.2308 0.1007 1.2499 ( 3256 PWs) bands (ev): -16.9699 -16.9699 -4.0445 -4.0445 -2.3567 -2.3567 -1.7712 -1.7712 0.3839 0.3839 0.6163 0.6163 5.2533 5.2533 5.3066 5.3066 7.1891 7.1891 7.4680 7.4680 7.5590 7.5590 8.3370 8.3370 9.0525 9.0525 9.0996 9.0996 9.1321 9.1321 9.3859 9.3859 10.1326 10.1326 10.2062 10.2062 10.4036 10.4036 10.4076 10.4076 11.7436 11.7436 11.7698 11.7698 k = 0.2500 0.1091 1.2499 ( 3248 PWs) bands (ev): -16.9699 -16.9699 -4.0445 -4.0445 -2.3567 -2.3567 -1.7712 -1.7712 0.3839 0.3839 0.6163 0.6163 5.2681 5.2681 5.2911 5.2911 7.1897 7.1897 7.4917 7.4917 7.5358 7.5358 8.3343 8.3343 9.0562 9.0562 9.1105 9.1105 9.1211 9.1211 9.3843 9.3843 10.1504 10.1504 10.1883 10.1883 10.4034 10.4034 10.4077 10.4077 11.7466 11.7466 11.7673 11.7673 Writing output data file BaxFePx2.save init_run : 0.34s CPU 0.52s WALL ( 1 calls) electrons : 218.62s CPU 220.99s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 218.61s CPU 220.97s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 357 calls) cegterg : 196.73s CPU 198.61s WALL ( 519 calls) Called by sum_band: Called by *egterg: h_psi : 154.11s CPU 155.76s WALL ( 7874 calls) s_psi : 7.21s CPU 7.36s WALL ( 7874 calls) g_psi : 0.18s CPU 0.19s WALL ( 6998 calls) cdiaghg : 40.68s CPU 41.23s WALL ( 7355 calls) cegterg:over : 4.44s CPU 4.48s WALL ( 6998 calls) cegterg:upda : 3.77s CPU 3.58s WALL ( 6998 calls) cegterg:last : 2.11s CPU 2.15s WALL ( 1493 calls) cdiaghg:chol : 2.29s CPU 2.36s WALL ( 7355 calls) cdiaghg:inve : 1.34s CPU 1.29s WALL ( 7355 calls) cdiaghg:para : 2.44s CPU 2.50s WALL ( 14710 calls) Called by h_psi: h_psi:vloc : 140.14s CPU 141.68s WALL ( 7874 calls) h_psi:vnl : 13.80s CPU 13.90s WALL ( 7874 calls) add_vuspsi : 7.44s CPU 7.38s WALL ( 7874 calls) General routines calbec : 6.34s CPU 6.50s WALL ( 7874 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 132.56s CPU 133.94s WALL ( 811588 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.19s CPU 0.17s WALL ( 714 calls) Parallel routines fft_scatter : 38.63s CPU 38.89s WALL ( 811611 calls) PWSCF : 3m53.81s CPU 4m13.36s WALL This run was terminated on: 14: 1:50 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=