Program PWSCF v.5.4.0 starts on 12Feb2017 at 1:58:33 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./LiGeBO4.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group 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 60 60 16 1848 1848 271 Max 61 61 17 1851 1851 274 Sum 2177 2177 609 66571 66571 9843 bravais-lattice index = 14 lattice parameter (alat) = 8.8632 a.u. unit-cell volume = 471.0277 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 4 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.863241 celldm(2)= 0.999566 celldm(3)= 0.960051 celldm(4)= 0.479782 celldm(5)= 0.480478 celldm(6)= 0.538951 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.538717 0.841971 0.000000 ) a(3) = ( 0.461283 0.251688 0.803473 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.639828 -0.373686 ) b(2) = ( 0.000000 1.187689 -0.372043 ) b(3) = ( 0.000000 0.000000 1.244597 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) O 6.00 15.99940 O( 1.00) Li 3.00 6.94100 Li( 1.00) B 3.00 10.81100 B( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 453 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022075 k( 2) = ( 0.0100000 -0.0063983 0.0087091), wk = 0.0022075 k( 3) = ( 0.0200000 -0.0127966 0.0174182), wk = 0.0022075 k( 4) = ( 0.0300000 -0.0191948 0.0261273), wk = 0.0022075 k( 5) = ( 0.0400000 -0.0255931 0.0348364), wk = 0.0022075 k( 6) = ( 0.0500000 -0.0319914 0.0435455), wk = 0.0022075 k( 7) = ( 0.0600000 -0.0383897 0.0522546), wk = 0.0022075 k( 8) = ( 0.0700000 -0.0447879 0.0609638), wk = 0.0022075 k( 9) = ( 0.0800000 -0.0511862 0.0696729), wk = 0.0022075 k( 10) = ( 0.0900000 -0.0575845 0.0783820), wk = 0.0022075 k( 11) = ( 0.1000000 -0.0639828 0.0870911), wk = 0.0022075 k( 12) = ( 0.1100000 -0.0703811 0.0958002), wk = 0.0022075 k( 13) = ( 0.1200000 -0.0767793 0.1045093), wk = 0.0022075 k( 14) = ( 0.1300000 -0.0831776 0.1132184), wk = 0.0022075 k( 15) = ( 0.1400000 -0.0895759 0.1219275), wk = 0.0022075 k( 16) = ( 0.1500000 -0.0959742 0.1306366), wk = 0.0022075 k( 17) = ( 0.1600000 -0.1023724 0.1393457), wk = 0.0022075 k( 18) = ( 0.1700000 -0.1087707 0.1480548), wk = 0.0022075 k( 19) = ( 0.1800000 -0.1151690 0.1567639), wk = 0.0022075 k( 20) = ( 0.1900000 -0.1215673 0.1654730), wk = 0.0022075 k( 21) = ( 0.2000000 -0.1279655 0.1741822), wk = 0.0022075 k( 22) = ( 0.2100000 -0.1343638 0.1828913), wk = 0.0022075 k( 23) = ( 0.2200000 -0.1407621 0.1916004), wk = 0.0022075 k( 24) = ( 0.2300000 -0.1471604 0.2003095), wk = 0.0022075 k( 25) = ( 0.2400000 -0.1535587 0.2090186), wk = 0.0022075 k( 26) = ( 0.2500000 -0.1599569 0.2177277), wk = 0.0022075 k( 27) = ( 0.2600000 -0.1663552 0.2264368), wk = 0.0022075 k( 28) = ( 0.2700000 -0.1727535 0.2351459), wk = 0.0022075 k( 29) = ( 0.2800000 -0.1791518 0.2438550), wk = 0.0022075 k( 30) = ( 0.2900000 -0.1855500 0.2525641), wk = 0.0022075 k( 31) = ( 0.3000000 -0.1919483 0.2612732), wk = 0.0022075 k( 32) = ( 0.3100000 -0.1983466 0.2699823), wk = 0.0022075 k( 33) = ( 0.3200000 -0.2047449 0.2786914), wk = 0.0022075 k( 34) = ( 0.3300000 -0.2111432 0.2874006), wk = 0.0022075 k( 35) = ( 0.3400000 -0.2175414 0.2961097), wk = 0.0022075 k( 36) = ( 0.3500000 -0.2239397 0.3048188), wk = 0.0022075 k( 37) = ( 0.3600000 -0.2303380 0.3135279), wk = 0.0022075 k( 38) = ( 0.3700000 -0.2367363 0.3222370), wk = 0.0022075 k( 39) = ( 0.3800000 -0.2431345 0.3309461), wk = 0.0022075 k( 40) = ( 0.3900000 -0.2495328 0.3396552), wk = 0.0022075 k( 41) = ( 0.4000000 -0.2559311 0.3483643), wk = 0.0022075 k( 42) = ( 0.4100000 -0.2623294 0.3570734), wk = 0.0022075 k( 43) = ( 0.4200000 -0.2687277 0.3657825), wk = 0.0022075 k( 44) = ( 0.4300000 -0.2751259 0.3744916), wk = 0.0022075 k( 45) = ( 0.4400000 -0.2815242 0.3832007), wk = 0.0022075 k( 46) = ( 0.4500000 -0.2879225 0.3919098), wk = 0.0022075 k( 47) = ( 0.4600000 -0.2943208 0.4006190), wk = 0.0022075 k( 48) = ( 0.4700000 -0.3007190 0.4093281), wk = 0.0022075 k( 49) = ( 0.4800000 -0.3071173 0.4180372), wk = 0.0022075 k( 50) = ( 0.4900000 -0.3135156 0.4267463), wk = 0.0022075 k( 51) = ( 0.5000000 -0.3199139 0.4354554), wk = 0.0022075 k( 52) = ( 0.5000000 -0.3199139 0.4354554), wk = 0.0022075 k( 53) = ( 0.5000000 -0.3083537 0.4439482), wk = 0.0022075 k( 54) = ( 0.5000000 -0.2967935 0.4524411), wk = 0.0022075 k( 55) = ( 0.5000000 -0.2852333 0.4609340), wk = 0.0022075 k( 56) = ( 0.5000000 -0.2736732 0.4694268), wk = 0.0022075 k( 57) = ( 0.5000000 -0.2621130 0.4779197), wk = 0.0022075 k( 58) = ( 0.5000000 -0.2505528 0.4864125), wk = 0.0022075 k( 59) = ( 0.5000000 -0.2389926 0.4949054), wk = 0.0022075 k( 60) = ( 0.5000000 -0.2274324 0.5033983), wk = 0.0022075 k( 61) = ( 0.5000000 -0.2158723 0.5118911), wk = 0.0022075 k( 62) = ( 0.5000000 -0.2043121 0.5203840), wk = 0.0022075 k( 63) = ( 0.5000000 -0.1927519 0.5288768), wk = 0.0022075 k( 64) = ( 0.5000000 -0.1811917 0.5373697), wk = 0.0022075 k( 65) = ( 0.5000000 -0.1696316 0.5458626), wk = 0.0022075 k( 66) = ( 0.5000000 -0.1580714 0.5543554), wk = 0.0022075 k( 67) = ( 0.5000000 -0.1465112 0.5628483), wk = 0.0022075 k( 68) = ( 0.5000000 -0.1349510 0.5713411), wk = 0.0022075 k( 69) = ( 0.5000000 -0.1233909 0.5798340), wk = 0.0022075 k( 70) = ( 0.5000000 -0.1118307 0.5883268), wk = 0.0022075 k( 71) = ( 0.5000000 -0.1002705 0.5968197), wk = 0.0022075 k( 72) = ( 0.5000000 -0.0887103 0.6053126), wk = 0.0022075 k( 73) = ( 0.5000000 -0.0771501 0.6138054), wk = 0.0022075 k( 74) = ( 0.5000000 -0.0655900 0.6222983), wk = 0.0022075 k( 75) = ( 0.5000000 -0.0655900 0.6222983), wk = 0.0022075 k( 76) = ( 0.4928399 -0.0525207 0.6222983), wk = 0.0022075 k( 77) = ( 0.4856797 -0.0394514 0.6222983), wk = 0.0022075 k( 78) = ( 0.4785196 -0.0263821 0.6222983), wk = 0.0022075 k( 79) = ( 0.4713594 -0.0133129 0.6222983), wk = 0.0022075 k( 80) = ( 0.4641993 -0.0002436 0.6222983), wk = 0.0022075 k( 81) = ( 0.4570391 0.0128257 0.6222983), wk = 0.0022075 k( 82) = ( 0.4498790 0.0258949 0.6222983), wk = 0.0022075 k( 83) = ( 0.4427188 0.0389642 0.6222983), wk = 0.0022075 k( 84) = ( 0.4355587 0.0520335 0.6222983), wk = 0.0022075 k( 85) = ( 0.4283986 0.0651027 0.6222983), wk = 0.0022075 k( 86) = ( 0.4212384 0.0781720 0.6222983), wk = 0.0022075 k( 87) = ( 0.4140783 0.0912413 0.6222983), wk = 0.0022075 k( 88) = ( 0.4069181 0.1043105 0.6222983), wk = 0.0022075 k( 89) = ( 0.3997580 0.1173798 0.6222983), wk = 0.0022075 k( 90) = ( 0.3925979 0.1304491 0.6222983), wk = 0.0022075 k( 91) = ( 0.3854377 0.1435184 0.6222983), wk = 0.0022075 k( 92) = ( 0.3782776 0.1565876 0.6222983), wk = 0.0022075 k( 93) = ( 0.3711174 0.1696569 0.6222983), wk = 0.0022075 k( 94) = ( 0.3639573 0.1827262 0.6222983), wk = 0.0022075 k( 95) = ( 0.3567971 0.1957954 0.6222983), wk = 0.0022075 k( 96) = ( 0.3496370 0.2088647 0.6222983), wk = 0.0022075 k( 97) = ( 0.3424768 0.2219340 0.6222983), wk = 0.0022075 k( 98) = ( 0.3353167 0.2350032 0.6222983), wk = 0.0022075 k( 99) = ( 0.3281566 0.2480725 0.6222983), wk = 0.0022075 k( 100) = ( 0.3209964 0.2611418 0.6222983), wk = 0.0022075 k( 101) = ( 0.3138363 0.2742111 0.6222983), wk = 0.0022075 k( 102) = ( 0.3066761 0.2872803 0.6222983), wk = 0.0022075 k( 103) = ( 0.2995160 0.3003496 0.6222983), wk = 0.0022075 k( 104) = ( 0.2923558 0.3134189 0.6222983), wk = 0.0022075 k( 105) = ( 0.2851957 0.3264881 0.6222983), wk = 0.0022075 k( 106) = ( 0.2780356 0.3395574 0.6222983), wk = 0.0022075 k( 107) = ( 0.2708754 0.3526267 0.6222983), wk = 0.0022075 k( 108) = ( 0.2637153 0.3656959 0.6222983), wk = 0.0022075 k( 109) = ( 0.2565551 0.3787652 0.6222983), wk = 0.0022075 k( 110) = ( 0.2493950 0.3918345 0.6222983), wk = 0.0022075 k( 111) = ( 0.2422348 0.4049038 0.6222983), wk = 0.0022075 k( 112) = ( 0.2350747 0.4179730 0.6222983), wk = 0.0022075 k( 113) = ( 0.2279146 0.4310423 0.6222983), wk = 0.0022075 k( 114) = ( 0.2207544 0.4441116 0.6222983), wk = 0.0022075 k( 115) = ( 0.2135943 0.4571808 0.6222983), wk = 0.0022075 k( 116) = ( 0.2135943 0.4571808 0.6222983), wk = 0.0022075 k( 117) = ( 0.2038854 0.4633928 0.6138428), wk = 0.0022075 k( 118) = ( 0.1941766 0.4696048 0.6053872), wk = 0.0022075 k( 119) = ( 0.1844678 0.4758168 0.5969317), wk = 0.0022075 k( 120) = ( 0.1747589 0.4820287 0.5884762), wk = 0.0022075 k( 121) = ( 0.1650501 0.4882407 0.5800207), wk = 0.0022075 k( 122) = ( 0.1553413 0.4944527 0.5715651), wk = 0.0022075 k( 123) = ( 0.1456325 0.5006647 0.5631096), wk = 0.0022075 k( 124) = ( 0.1359236 0.5068767 0.5546541), wk = 0.0022075 k( 125) = ( 0.1262148 0.5130886 0.5461986), wk = 0.0022075 k( 126) = ( 0.1165060 0.5193006 0.5377430), wk = 0.0022075 k( 127) = ( 0.1067971 0.5255126 0.5292875), wk = 0.0022075 k( 128) = ( 0.0970883 0.5317246 0.5208320), wk = 0.0022075 k( 129) = ( 0.0873795 0.5379366 0.5123765), wk = 0.0022075 k( 130) = ( 0.0776706 0.5441485 0.5039209), wk = 0.0022075 k( 131) = ( 0.0679618 0.5503605 0.4954654), wk = 0.0022075 k( 132) = ( 0.0582530 0.5565725 0.4870099), wk = 0.0022075 k( 133) = ( 0.0485442 0.5627845 0.4785544), wk = 0.0022075 k( 134) = ( 0.0388353 0.5689965 0.4700988), wk = 0.0022075 k( 135) = ( 0.0291265 0.5752084 0.4616433), wk = 0.0022075 k( 136) = ( 0.0194177 0.5814204 0.4531878), wk = 0.0022075 k( 137) = ( 0.0097088 0.5876324 0.4447323), wk = 0.0022075 k( 138) = ( 0.0000000 0.5938444 0.4362767), wk = 0.0022075 k( 139) = ( 0.0000000 0.5938444 0.4362767), wk = 0.0022075 k( 140) = ( 0.0000000 0.5819675 0.4275512), wk = 0.0022075 k( 141) = ( 0.0000000 0.5700906 0.4188257), wk = 0.0022075 k( 142) = ( 0.0000000 0.5582137 0.4101001), wk = 0.0022075 k( 143) = ( 0.0000000 0.5463368 0.4013746), wk = 0.0022075 k( 144) = ( 0.0000000 0.5344599 0.3926491), wk = 0.0022075 k( 145) = ( 0.0000000 0.5225830 0.3839235), wk = 0.0022075 k( 146) = ( 0.0000000 0.5107062 0.3751980), wk = 0.0022075 k( 147) = ( 0.0000000 0.4988293 0.3664725), wk = 0.0022075 k( 148) = ( 0.0000000 0.4869524 0.3577469), wk = 0.0022075 k( 149) = ( 0.0000000 0.4750755 0.3490214), wk = 0.0022075 k( 150) = ( 0.0000000 0.4631986 0.3402959), wk = 0.0022075 k( 151) = ( 0.0000000 0.4513217 0.3315703), wk = 0.0022075 k( 152) = ( 0.0000000 0.4394448 0.3228448), wk = 0.0022075 k( 153) = ( 0.0000000 0.4275679 0.3141193), wk = 0.0022075 k( 154) = ( 0.0000000 0.4156911 0.3053937), wk = 0.0022075 k( 155) = ( 0.0000000 0.4038142 0.2966682), wk = 0.0022075 k( 156) = ( 0.0000000 0.3919373 0.2879426), wk = 0.0022075 k( 157) = ( 0.0000000 0.3800604 0.2792171), wk = 0.0022075 k( 158) = ( 0.0000000 0.3681835 0.2704916), wk = 0.0022075 k( 159) = ( 0.0000000 0.3563066 0.2617660), wk = 0.0022075 k( 160) = ( 0.0000000 0.3444297 0.2530405), wk = 0.0022075 k( 161) = ( 0.0000000 0.3325528 0.2443150), wk = 0.0022075 k( 162) = ( 0.0000000 0.3206760 0.2355894), wk = 0.0022075 k( 163) = ( 0.0000000 0.3087991 0.2268639), wk = 0.0022075 k( 164) = ( 0.0000000 0.2969222 0.2181384), wk = 0.0022075 k( 165) = ( 0.0000000 0.2850453 0.2094128), wk = 0.0022075 k( 166) = ( 0.0000000 0.2731684 0.2006873), wk = 0.0022075 k( 167) = ( 0.0000000 0.2612915 0.1919618), wk = 0.0022075 k( 168) = ( 0.0000000 0.2494146 0.1832362), wk = 0.0022075 k( 169) = ( 0.0000000 0.2375377 0.1745107), wk = 0.0022075 k( 170) = ( 0.0000000 0.2256609 0.1657852), wk = 0.0022075 k( 171) = ( 0.0000000 0.2137840 0.1570596), wk = 0.0022075 k( 172) = ( 0.0000000 0.2019071 0.1483341), wk = 0.0022075 k( 173) = ( 0.0000000 0.1900302 0.1396086), wk = 0.0022075 k( 174) = ( 0.0000000 0.1781533 0.1308830), wk = 0.0022075 k( 175) = ( 0.0000000 0.1662764 0.1221575), wk = 0.0022075 k( 176) = ( 0.0000000 0.1543995 0.1134320), wk = 0.0022075 k( 177) = ( 0.0000000 0.1425226 0.1047064), wk = 0.0022075 k( 178) = ( 0.0000000 0.1306458 0.0959809), wk = 0.0022075 k( 179) = ( 0.0000000 0.1187689 0.0872553), wk = 0.0022075 k( 180) = ( 0.0000000 0.1068920 0.0785298), wk = 0.0022075 k( 181) = ( 0.0000000 0.0950151 0.0698043), wk = 0.0022075 k( 182) = ( 0.0000000 0.0831382 0.0610787), wk = 0.0022075 k( 183) = ( 0.0000000 0.0712613 0.0523532), wk = 0.0022075 k( 184) = ( 0.0000000 0.0593844 0.0436277), wk = 0.0022075 k( 185) = ( 0.0000000 0.0475075 0.0349021), wk = 0.0022075 k( 186) = ( 0.0000000 0.0356307 0.0261766), wk = 0.0022075 k( 187) = ( 0.0000000 0.0237538 0.0174511), wk = 0.0022075 k( 188) = ( 0.0000000 0.0118769 0.0087255), wk = 0.0022075 k( 189) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022075 k( 190) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022075 k( 191) = ( 0.0108696 0.0059550 -0.0081058), wk = 0.0022075 k( 192) = ( 0.0217391 0.0119100 -0.0162115), wk = 0.0022075 k( 193) = ( 0.0326087 0.0178650 -0.0243173), wk = 0.0022075 k( 194) = ( 0.0434783 0.0238200 -0.0324230), wk = 0.0022075 k( 195) = ( 0.0543478 0.0297751 -0.0405287), wk = 0.0022075 k( 196) = ( 0.0652174 0.0357301 -0.0486345), wk = 0.0022075 k( 197) = ( 0.0760870 0.0416851 -0.0567402), wk = 0.0022075 k( 198) = ( 0.0869565 0.0476401 -0.0648460), wk = 0.0022075 k( 199) = ( 0.0978261 0.0535951 -0.0729517), wk = 0.0022075 k( 200) = ( 0.1086957 0.0595501 -0.0810575), wk = 0.0022075 k( 201) = ( 0.1195652 0.0655051 -0.0891632), wk = 0.0022075 k( 202) = ( 0.1304348 0.0714601 -0.0972690), wk = 0.0022075 k( 203) = ( 0.1413043 0.0774151 -0.1053747), wk = 0.0022075 k( 204) = ( 0.1521739 0.0833702 -0.1134805), wk = 0.0022075 k( 205) = ( 0.1630435 0.0893252 -0.1215862), wk = 0.0022075 k( 206) = ( 0.1739130 0.0952802 -0.1296920), wk = 0.0022075 k( 207) = ( 0.1847826 0.1012352 -0.1377977), wk = 0.0022075 k( 208) = ( 0.1956522 0.1071902 -0.1459035), wk = 0.0022075 k( 209) = ( 0.2065217 0.1131452 -0.1540092), wk = 0.0022075 k( 210) = ( 0.2173913 0.1191002 -0.1621150), wk = 0.0022075 k( 211) = ( 0.2282609 0.1250552 -0.1702207), wk = 0.0022075 k( 212) = ( 0.2391304 0.1310102 -0.1783265), wk = 0.0022075 k( 213) = ( 0.2500000 0.1369653 -0.1864322), wk = 0.0022075 k( 214) = ( 0.2608696 0.1429203 -0.1945380), wk = 0.0022075 k( 215) = ( 0.2717391 0.1488753 -0.2026437), wk = 0.0022075 k( 216) = ( 0.2826087 0.1548303 -0.2107495), wk = 0.0022075 k( 217) = ( 0.2934783 0.1607853 -0.2188552), wk = 0.0022075 k( 218) = ( 0.3043478 0.1667403 -0.2269610), wk = 0.0022075 k( 219) = ( 0.3152174 0.1726953 -0.2350667), wk = 0.0022075 k( 220) = ( 0.3260870 0.1786503 -0.2431725), wk = 0.0022075 k( 221) = ( 0.3369565 0.1846053 -0.2512782), wk = 0.0022075 k( 222) = ( 0.3478261 0.1905604 -0.2593840), wk = 0.0022075 k( 223) = ( 0.3586956 0.1965154 -0.2674897), wk = 0.0022075 k( 224) = ( 0.3695652 0.2024704 -0.2755955), wk = 0.0022075 k( 225) = ( 0.3804348 0.2084254 -0.2837012), wk = 0.0022075 k( 226) = ( 0.3913044 0.2143804 -0.2918070), wk = 0.0022075 k( 227) = ( 0.4021739 0.2203354 -0.2999127), wk = 0.0022075 k( 228) = ( 0.4130435 0.2262904 -0.3080185), wk = 0.0022075 k( 229) = ( 0.4239130 0.2322454 -0.3161242), wk = 0.0022075 k( 230) = ( 0.4347826 0.2382004 -0.3242300), wk = 0.0022075 k( 231) = ( 0.4456522 0.2441554 -0.3323357), wk = 0.0022075 k( 232) = ( 0.4565217 0.2501105 -0.3404415), wk = 0.0022075 k( 233) = ( 0.4673913 0.2560655 -0.3485472), wk = 0.0022075 k( 234) = ( 0.4782609 0.2620205 -0.3566530), wk = 0.0022075 k( 235) = ( 0.4891304 0.2679755 -0.3647587), wk = 0.0022075 k( 236) = ( 0.5000000 0.2739305 -0.3728645), wk = 0.0022075 k( 237) = ( 0.5000000 0.2739305 -0.3728645), wk = 0.0022075 k( 238) = ( 0.5098761 0.2676115 -0.3642633), wk = 0.0022075 k( 239) = ( 0.5197521 0.2612925 -0.3556621), wk = 0.0022075 k( 240) = ( 0.5296282 0.2549736 -0.3470610), wk = 0.0022075 k( 241) = ( 0.5395042 0.2486546 -0.3384598), wk = 0.0022075 k( 242) = ( 0.5493803 0.2423356 -0.3298586), wk = 0.0022075 k( 243) = ( 0.5592564 0.2360166 -0.3212575), wk = 0.0022075 k( 244) = ( 0.5691324 0.2296977 -0.3126563), wk = 0.0022075 k( 245) = ( 0.5790085 0.2233787 -0.3040551), wk = 0.0022075 k( 246) = ( 0.5888845 0.2170597 -0.2954540), wk = 0.0022075 k( 247) = ( 0.5987606 0.2107407 -0.2868528), wk = 0.0022075 k( 248) = ( 0.6086367 0.2044218 -0.2782516), wk = 0.0022075 k( 249) = ( 0.6185127 0.1981028 -0.2696505), wk = 0.0022075 k( 250) = ( 0.6283888 0.1917838 -0.2610493), wk = 0.0022075 k( 251) = ( 0.6382648 0.1854648 -0.2524481), wk = 0.0022075 k( 252) = ( 0.6481409 0.1791459 -0.2438470), wk = 0.0022075 k( 253) = ( 0.6580170 0.1728269 -0.2352458), wk = 0.0022075 k( 254) = ( 0.6678930 0.1665079 -0.2266446), wk = 0.0022075 k( 255) = ( 0.6777691 0.1601889 -0.2180435), wk = 0.0022075 k( 256) = ( 0.6876451 0.1538699 -0.2094423), wk = 0.0022075 k( 257) = ( 0.6975212 0.1475510 -0.2008411), wk = 0.0022075 k( 258) = ( 0.7073972 0.1412320 -0.1922400), wk = 0.0022075 k( 259) = ( 0.7172733 0.1349130 -0.1836388), wk = 0.0022075 k( 260) = ( 0.7271494 0.1285940 -0.1750376), wk = 0.0022075 k( 261) = ( 0.7370254 0.1222751 -0.1664365), wk = 0.0022075 k( 262) = ( 0.7469015 0.1159561 -0.1578353), wk = 0.0022075 k( 263) = ( 0.7567776 0.1096371 -0.1492341), wk = 0.0022075 k( 264) = ( 0.7666536 0.1033181 -0.1406330), wk = 0.0022075 k( 265) = ( 0.7765297 0.0969991 -0.1320318), wk = 0.0022075 k( 266) = ( 0.7864057 0.0906802 -0.1234306), wk = 0.0022075 k( 267) = ( 0.7864057 0.0906802 -0.1234306), wk = 0.0022075 k( 268) = ( 0.7852853 0.0821387 -0.1118043), wk = 0.0022075 k( 269) = ( 0.7841648 0.0735972 -0.1001779), wk = 0.0022075 k( 270) = ( 0.7830443 0.0650558 -0.0885516), wk = 0.0022075 k( 271) = ( 0.7819238 0.0565143 -0.0769252), wk = 0.0022075 k( 272) = ( 0.7808034 0.0479728 -0.0652989), wk = 0.0022075 k( 273) = ( 0.7796829 0.0394313 -0.0536725), wk = 0.0022075 k( 274) = ( 0.7785624 0.0308899 -0.0420462), wk = 0.0022075 k( 275) = ( 0.7774420 0.0223484 -0.0304198), wk = 0.0022075 k( 276) = ( 0.7763215 0.0138069 -0.0187935), wk = 0.0022075 k( 277) = ( 0.7752010 0.0052655 -0.0071672), wk = 0.0022075 k( 278) = ( 0.7740806 -0.0032760 0.0044592), wk = 0.0022075 k( 279) = ( 0.7729601 -0.0118175 0.0160855), wk = 0.0022075 k( 280) = ( 0.7718396 -0.0203590 0.0277119), wk = 0.0022075 k( 281) = ( 0.7707192 -0.0289004 0.0393382), wk = 0.0022075 k( 282) = ( 0.7695987 -0.0374419 0.0509646), wk = 0.0022075 k( 283) = ( 0.7684782 -0.0459834 0.0625909), wk = 0.0022075 k( 284) = ( 0.7673577 -0.0545248 0.0742173), wk = 0.0022075 k( 285) = ( 0.7662373 -0.0630663 0.0858436), wk = 0.0022075 k( 286) = ( 0.7651168 -0.0716078 0.0974700), wk = 0.0022075 k( 287) = ( 0.7639963 -0.0801493 0.1090963), wk = 0.0022075 k( 288) = ( 0.7628759 -0.0886907 0.1207227), wk = 0.0022075 k( 289) = ( 0.7617554 -0.0972322 0.1323490), wk = 0.0022075 k( 290) = ( 0.7606349 -0.1057737 0.1439754), wk = 0.0022075 k( 291) = ( 0.7595145 -0.1143151 0.1556017), wk = 0.0022075 k( 292) = ( 0.7583940 -0.1228566 0.1672280), wk = 0.0022075 k( 293) = ( 0.7572735 -0.1313981 0.1788544), wk = 0.0022075 k( 294) = ( 0.7561530 -0.1399395 0.1904807), wk = 0.0022075 k( 295) = ( 0.7550326 -0.1484810 0.2021071), wk = 0.0022075 k( 296) = ( 0.7539121 -0.1570225 0.2137334), wk = 0.0022075 k( 297) = ( 0.7527917 -0.1655640 0.2253598), wk = 0.0022075 k( 298) = ( 0.7516712 -0.1741054 0.2369861), wk = 0.0022075 k( 299) = ( 0.7505507 -0.1826469 0.2486125), wk = 0.0022075 k( 300) = ( 0.7505507 -0.1826469 0.2486125), wk = 0.0022075 k( 301) = ( 0.7427210 -0.1789889 0.2602902), wk = 0.0022075 k( 302) = ( 0.7348913 -0.1753309 0.2719678), wk = 0.0022075 k( 303) = ( 0.7270616 -0.1716728 0.2836455), wk = 0.0022075 k( 304) = ( 0.7192319 -0.1680148 0.2953232), wk = 0.0022075 k( 305) = ( 0.7114022 -0.1643568 0.3070009), wk = 0.0022075 k( 306) = ( 0.7035725 -0.1606987 0.3186786), wk = 0.0022075 k( 307) = ( 0.6957427 -0.1570407 0.3303562), wk = 0.0022075 k( 308) = ( 0.6879130 -0.1533827 0.3420339), wk = 0.0022075 k( 309) = ( 0.6800833 -0.1497246 0.3537116), wk = 0.0022075 k( 310) = ( 0.6722536 -0.1460666 0.3653893), wk = 0.0022075 k( 311) = ( 0.6644239 -0.1424086 0.3770670), wk = 0.0022075 k( 312) = ( 0.6565942 -0.1387506 0.3887447), wk = 0.0022075 k( 313) = ( 0.6487645 -0.1350925 0.4004223), wk = 0.0022075 k( 314) = ( 0.6409348 -0.1314345 0.4121000), wk = 0.0022075 k( 315) = ( 0.6331051 -0.1277765 0.4237777), wk = 0.0022075 k( 316) = ( 0.6252754 -0.1241184 0.4354554), wk = 0.0022075 k( 317) = ( 0.6174456 -0.1204604 0.4471331), wk = 0.0022075 k( 318) = ( 0.6096159 -0.1168024 0.4588107), wk = 0.0022075 k( 319) = ( 0.6017862 -0.1131443 0.4704884), wk = 0.0022075 k( 320) = ( 0.5939565 -0.1094863 0.4821661), wk = 0.0022075 k( 321) = ( 0.5861268 -0.1058283 0.4938438), wk = 0.0022075 k( 322) = ( 0.5782971 -0.1021703 0.5055215), wk = 0.0022075 k( 323) = ( 0.5704674 -0.0985122 0.5171991), wk = 0.0022075 k( 324) = ( 0.5626377 -0.0948542 0.5288768), wk = 0.0022075 k( 325) = ( 0.5548080 -0.0911962 0.5405545), wk = 0.0022075 k( 326) = ( 0.5469783 -0.0875381 0.5522322), wk = 0.0022075 k( 327) = ( 0.5391485 -0.0838801 0.5639099), wk = 0.0022075 k( 328) = ( 0.5313188 -0.0802221 0.5755876), wk = 0.0022075 k( 329) = ( 0.5234891 -0.0765640 0.5872652), wk = 0.0022075 k( 330) = ( 0.5156594 -0.0729060 0.5989429), wk = 0.0022075 k( 331) = ( 0.5078297 -0.0692480 0.6106206), wk = 0.0022075 k( 332) = ( 0.5000000 -0.0655900 0.6222983), wk = 0.0022075 k( 333) = ( 0.5000000 0.6134510 -0.1234306), wk = 0.0022075 k( 334) = ( 0.5000000 0.6017434 -0.1320318), wk = 0.0022075 k( 335) = ( 0.5000000 0.5900358 -0.1406330), wk = 0.0022075 k( 336) = ( 0.5000000 0.5783282 -0.1492341), wk = 0.0022075 k( 337) = ( 0.5000000 0.5666205 -0.1578353), wk = 0.0022075 k( 338) = ( 0.5000000 0.5549130 -0.1664365), wk = 0.0022075 k( 339) = ( 0.5000000 0.5432053 -0.1750376), wk = 0.0022075 k( 340) = ( 0.5000000 0.5314977 -0.1836388), wk = 0.0022075 k( 341) = ( 0.5000000 0.5197901 -0.1922400), wk = 0.0022075 k( 342) = ( 0.5000000 0.5080825 -0.2008411), wk = 0.0022075 k( 343) = ( 0.5000000 0.4963749 -0.2094423), wk = 0.0022075 k( 344) = ( 0.5000000 0.4846673 -0.2180435), wk = 0.0022075 k( 345) = ( 0.5000000 0.4729597 -0.2266446), wk = 0.0022075 k( 346) = ( 0.5000000 0.4612521 -0.2352458), wk = 0.0022075 k( 347) = ( 0.5000000 0.4495445 -0.2438470), wk = 0.0022075 k( 348) = ( 0.5000000 0.4378369 -0.2524481), wk = 0.0022075 k( 349) = ( 0.5000000 0.4261293 -0.2610493), wk = 0.0022075 k( 350) = ( 0.5000000 0.4144217 -0.2696505), wk = 0.0022075 k( 351) = ( 0.5000000 0.4027141 -0.2782516), wk = 0.0022075 k( 352) = ( 0.5000000 0.3910065 -0.2868528), wk = 0.0022075 k( 353) = ( 0.5000000 0.3792989 -0.2954540), wk = 0.0022075 k( 354) = ( 0.5000000 0.3675913 -0.3040551), wk = 0.0022075 k( 355) = ( 0.5000000 0.3558837 -0.3126563), wk = 0.0022075 k( 356) = ( 0.5000000 0.3441761 -0.3212575), wk = 0.0022075 k( 357) = ( 0.5000000 0.3324685 -0.3298586), wk = 0.0022075 k( 358) = ( 0.5000000 0.3207609 -0.3384598), wk = 0.0022075 k( 359) = ( 0.5000000 0.3090533 -0.3470610), wk = 0.0022075 k( 360) = ( 0.5000000 0.2973457 -0.3556621), wk = 0.0022075 k( 361) = ( 0.5000000 0.2856381 -0.3642633), wk = 0.0022075 k( 362) = ( 0.5000000 0.2739305 -0.3728645), wk = 0.0022075 k( 363) = ( 0.0000000 0.5938444 0.4362767), wk = 0.0022075 k( 364) = ( 0.0108456 0.5997863 0.4281888), wk = 0.0022075 k( 365) = ( 0.0216912 0.6057282 0.4201010), wk = 0.0022075 k( 366) = ( 0.0325369 0.6116700 0.4120131), wk = 0.0022075 k( 367) = ( 0.0433825 0.6176119 0.4039252), wk = 0.0022075 k( 368) = ( 0.0542281 0.6235538 0.3958373), wk = 0.0022075 k( 369) = ( 0.0650737 0.6294957 0.3877494), wk = 0.0022075 k( 370) = ( 0.0759193 0.6354376 0.3796615), wk = 0.0022075 k( 371) = ( 0.0867650 0.6413795 0.3715736), wk = 0.0022075 k( 372) = ( 0.0976106 0.6473214 0.3634857), wk = 0.0022075 k( 373) = ( 0.1084562 0.6532633 0.3553978), wk = 0.0022075 k( 374) = ( 0.1193018 0.6592052 0.3473099), wk = 0.0022075 k( 375) = ( 0.1301475 0.6651471 0.3392220), wk = 0.0022075 k( 376) = ( 0.1409931 0.6710890 0.3311341), wk = 0.0022075 k( 377) = ( 0.1518387 0.6770309 0.3230462), wk = 0.0022075 k( 378) = ( 0.1626843 0.6829728 0.3149583), wk = 0.0022075 k( 379) = ( 0.1735299 0.6889147 0.3068704), wk = 0.0022075 k( 380) = ( 0.1843756 0.6948566 0.2987826), wk = 0.0022075 k( 381) = ( 0.1952212 0.7007985 0.2906947), wk = 0.0022075 k( 382) = ( 0.2060668 0.7067403 0.2826068), wk = 0.0022075 k( 383) = ( 0.2169124 0.7126822 0.2745189), wk = 0.0022075 k( 384) = ( 0.2277580 0.7186241 0.2664310), wk = 0.0022075 k( 385) = ( 0.2386037 0.7245660 0.2583431), wk = 0.0022075 k( 386) = ( 0.2494493 0.7305079 0.2502552), wk = 0.0022075 k( 387) = ( 0.7505507 -0.1826469 0.2486125), wk = 0.0022075 k( 388) = ( 0.7396572 -0.1886150 0.2567361), wk = 0.0022075 k( 389) = ( 0.7287637 -0.1945832 0.2648597), wk = 0.0022075 k( 390) = ( 0.7178702 -0.2005513 0.2729833), wk = 0.0022075 k( 391) = ( 0.7069767 -0.2065194 0.2811069), wk = 0.0022075 k( 392) = ( 0.6960832 -0.2124876 0.2892305), wk = 0.0022075 k( 393) = ( 0.6851896 -0.2184557 0.2973541), wk = 0.0022075 k( 394) = ( 0.6742961 -0.2244238 0.3054777), wk = 0.0022075 k( 395) = ( 0.6634026 -0.2303919 0.3136013), wk = 0.0022075 k( 396) = ( 0.6525091 -0.2363601 0.3217249), wk = 0.0022075 k( 397) = ( 0.6416156 -0.2423282 0.3298485), wk = 0.0022075 k( 398) = ( 0.6307221 -0.2482963 0.3379721), wk = 0.0022075 k( 399) = ( 0.6198286 -0.2542645 0.3460957), wk = 0.0022075 k( 400) = ( 0.6089351 -0.2602326 0.3542193), wk = 0.0022075 k( 401) = ( 0.5980416 -0.2662007 0.3623429), wk = 0.0022075 k( 402) = ( 0.5871481 -0.2721688 0.3704665), wk = 0.0022075 k( 403) = ( 0.5762546 -0.2781370 0.3785902), wk = 0.0022075 k( 404) = ( 0.5653611 -0.2841051 0.3867138), wk = 0.0022075 k( 405) = ( 0.5544675 -0.2900732 0.3948374), wk = 0.0022075 k( 406) = ( 0.5435740 -0.2960414 0.4029610), wk = 0.0022075 k( 407) = ( 0.5326805 -0.3020095 0.4110846), wk = 0.0022075 k( 408) = ( 0.5217870 -0.3079776 0.4192082), wk = 0.0022075 k( 409) = ( 0.5108935 -0.3139457 0.4273318), wk = 0.0022075 k( 410) = ( 0.5000000 -0.3199139 0.4354554), wk = 0.0022075 k( 411) = ( 0.5000000 0.2739305 0.2494338), wk = 0.0022075 k( 412) = ( 0.4880952 0.2674083 0.2434949), wk = 0.0022075 k( 413) = ( 0.4761905 0.2608862 0.2375560), wk = 0.0022075 k( 414) = ( 0.4642857 0.2543640 0.2316171), wk = 0.0022075 k( 415) = ( 0.4523810 0.2478419 0.2256782), wk = 0.0022075 k( 416) = ( 0.4404762 0.2413197 0.2197393), wk = 0.0022075 k( 417) = ( 0.4285714 0.2347976 0.2138004), wk = 0.0022075 k( 418) = ( 0.4166667 0.2282754 0.2078615), wk = 0.0022075 k( 419) = ( 0.4047619 0.2217533 0.2019226), wk = 0.0022075 k( 420) = ( 0.3928571 0.2152311 0.1959837), wk = 0.0022075 k( 421) = ( 0.3809524 0.2087090 0.1900448), wk = 0.0022075 k( 422) = ( 0.3690476 0.2021868 0.1841059), wk = 0.0022075 k( 423) = ( 0.3571429 0.1956646 0.1781670), wk = 0.0022075 k( 424) = ( 0.3452381 0.1891425 0.1722281), wk = 0.0022075 k( 425) = ( 0.3333333 0.1826203 0.1662892), wk = 0.0022075 k( 426) = ( 0.3214286 0.1760982 0.1603503), wk = 0.0022075 k( 427) = ( 0.3095238 0.1695760 0.1544114), wk = 0.0022075 k( 428) = ( 0.2976190 0.1630539 0.1484725), wk = 0.0022075 k( 429) = ( 0.2857143 0.1565317 0.1425336), wk = 0.0022075 k( 430) = ( 0.2738095 0.1500096 0.1365947), wk = 0.0022075 k( 431) = ( 0.2619048 0.1434874 0.1306558), wk = 0.0022075 k( 432) = ( 0.2500000 0.1369653 0.1247169), wk = 0.0022075 k( 433) = ( 0.2380952 0.1304431 0.1187780), wk = 0.0022075 k( 434) = ( 0.2261905 0.1239209 0.1128391), wk = 0.0022075 k( 435) = ( 0.2142857 0.1173988 0.1069002), wk = 0.0022075 k( 436) = ( 0.2023810 0.1108766 0.1009613), wk = 0.0022075 k( 437) = ( 0.1904762 0.1043545 0.0950224), wk = 0.0022075 k( 438) = ( 0.1785714 0.0978323 0.0890835), wk = 0.0022075 k( 439) = ( 0.1666667 0.0913102 0.0831446), wk = 0.0022075 k( 440) = ( 0.1547619 0.0847880 0.0772057), wk = 0.0022075 k( 441) = ( 0.1428571 0.0782659 0.0712668), wk = 0.0022075 k( 442) = ( 0.1309524 0.0717437 0.0653279), wk = 0.0022075 k( 443) = ( 0.1190476 0.0652215 0.0593890), wk = 0.0022075 k( 444) = ( 0.1071429 0.0586994 0.0534501), wk = 0.0022075 k( 445) = ( 0.0952381 0.0521772 0.0475112), wk = 0.0022075 k( 446) = ( 0.0833333 0.0456551 0.0415723), wk = 0.0022075 k( 447) = ( 0.0714286 0.0391329 0.0356334), wk = 0.0022075 k( 448) = ( 0.0595238 0.0326108 0.0296945), wk = 0.0022075 k( 449) = ( 0.0476191 0.0260886 0.0237556), wk = 0.0022075 k( 450) = ( 0.0357143 0.0195665 0.0178167), wk = 0.0022075 k( 451) = ( 0.0238095 0.0130443 0.0118778), wk = 0.0022075 k( 452) = ( 0.0119048 0.0065222 0.0059389), wk = 0.0022075 k( 453) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022075 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022075 k( 2) = ( 0.0100000 0.0000000 0.0100000), wk = 0.0022075 k( 3) = ( 0.0200000 0.0000000 0.0200000), wk = 0.0022075 k( 4) = ( 0.0300000 0.0000000 0.0300000), wk = 0.0022075 k( 5) = ( 0.0400000 0.0000000 0.0400000), wk = 0.0022075 k( 6) = ( 0.0500000 0.0000000 0.0500000), wk = 0.0022075 k( 7) = ( 0.0600000 0.0000000 0.0600000), wk = 0.0022075 k( 8) = ( 0.0700000 0.0000000 0.0700000), wk = 0.0022075 k( 9) = ( 0.0800000 0.0000000 0.0800000), wk = 0.0022075 k( 10) = ( 0.0900000 -0.0000000 0.0900000), wk = 0.0022075 k( 11) = ( 0.1000000 0.0000000 0.1000000), wk = 0.0022075 k( 12) = ( 0.1100000 -0.0000000 0.1100000), wk = 0.0022075 k( 13) = ( 0.1200000 0.0000000 0.1200000), wk = 0.0022075 k( 14) = ( 0.1300000 0.0000000 0.1300000), wk = 0.0022075 k( 15) = ( 0.1400000 0.0000000 0.1400000), wk = 0.0022075 k( 16) = ( 0.1500000 -0.0000000 0.1500000), wk = 0.0022075 k( 17) = ( 0.1600000 0.0000000 0.1600000), wk = 0.0022075 k( 18) = ( 0.1700000 0.0000000 0.1700000), wk = 0.0022075 k( 19) = ( 0.1800000 -0.0000000 0.1800000), wk = 0.0022075 k( 20) = ( 0.1900000 0.0000000 0.1900000), wk = 0.0022075 k( 21) = ( 0.2000000 0.0000000 0.2000000), wk = 0.0022075 k( 22) = ( 0.2100000 0.0000000 0.2100000), wk = 0.0022075 k( 23) = ( 0.2200000 -0.0000000 0.2200000), wk = 0.0022075 k( 24) = ( 0.2300000 -0.0000000 0.2300000), wk = 0.0022075 k( 25) = ( 0.2400000 0.0000000 0.2400000), wk = 0.0022075 k( 26) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0022075 k( 27) = ( 0.2600000 0.0000000 0.2600000), wk = 0.0022075 k( 28) = ( 0.2700000 -0.0000000 0.2700000), wk = 0.0022075 k( 29) = ( 0.2800000 0.0000000 0.2800000), wk = 0.0022075 k( 30) = ( 0.2900000 -0.0000000 0.2900000), wk = 0.0022075 k( 31) = ( 0.3000000 -0.0000000 0.3000000), wk = 0.0022075 k( 32) = ( 0.3100000 0.0000000 0.3100000), wk = 0.0022075 k( 33) = ( 0.3200000 0.0000000 0.3200000), wk = 0.0022075 k( 34) = ( 0.3300000 0.0000000 0.3300000), wk = 0.0022075 k( 35) = ( 0.3400000 0.0000000 0.3400000), wk = 0.0022075 k( 36) = ( 0.3500000 0.0000000 0.3500000), wk = 0.0022075 k( 37) = ( 0.3600000 -0.0000000 0.3600000), wk = 0.0022075 k( 38) = ( 0.3700000 0.0000000 0.3700000), wk = 0.0022075 k( 39) = ( 0.3800000 0.0000000 0.3800000), wk = 0.0022075 k( 40) = ( 0.3900000 0.0000000 0.3900000), wk = 0.0022075 k( 41) = ( 0.4000000 0.0000000 0.4000000), wk = 0.0022075 k( 42) = ( 0.4100000 -0.0000000 0.4100000), wk = 0.0022075 k( 43) = ( 0.4200000 0.0000000 0.4200000), wk = 0.0022075 k( 44) = ( 0.4300000 -0.0000000 0.4300000), wk = 0.0022075 k( 45) = ( 0.4400000 -0.0000000 0.4400000), wk = 0.0022075 k( 46) = ( 0.4500000 0.0000000 0.4500000), wk = 0.0022075 k( 47) = ( 0.4600000 -0.0000000 0.4600000), wk = 0.0022075 k( 48) = ( 0.4700000 0.0000000 0.4700000), wk = 0.0022075 k( 49) = ( 0.4800000 0.0000000 0.4800000), wk = 0.0022075 k( 50) = ( 0.4900000 -0.0000000 0.4900000), wk = 0.0022075 k( 51) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022075 k( 52) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022075 k( 53) = ( 0.5000000 0.0097333 0.5097333), wk = 0.0022075 k( 54) = ( 0.5000000 0.0194667 0.5194667), wk = 0.0022075 k( 55) = ( 0.5000000 0.0292000 0.5292000), wk = 0.0022075 k( 56) = ( 0.5000000 0.0389334 0.5389334), wk = 0.0022075 k( 57) = ( 0.5000000 0.0486667 0.5486667), wk = 0.0022075 k( 58) = ( 0.5000000 0.0584000 0.5584000), wk = 0.0022075 k( 59) = ( 0.5000000 0.0681334 0.5681334), wk = 0.0022075 k( 60) = ( 0.5000000 0.0778667 0.5778667), wk = 0.0022075 k( 61) = ( 0.5000000 0.0876001 0.5876001), wk = 0.0022075 k( 62) = ( 0.5000000 0.0973334 0.5973334), wk = 0.0022075 k( 63) = ( 0.5000000 0.1070667 0.6070667), wk = 0.0022075 k( 64) = ( 0.5000000 0.1168001 0.6168001), wk = 0.0022075 k( 65) = ( 0.5000000 0.1265334 0.6265334), wk = 0.0022075 k( 66) = ( 0.5000000 0.1362667 0.6362667), wk = 0.0022075 k( 67) = ( 0.5000000 0.1460001 0.6460001), wk = 0.0022075 k( 68) = ( 0.5000000 0.1557334 0.6557334), wk = 0.0022075 k( 69) = ( 0.5000000 0.1654668 0.6654668), wk = 0.0022075 k( 70) = ( 0.5000000 0.1752001 0.6752001), wk = 0.0022075 k( 71) = ( 0.5000000 0.1849334 0.6849335), wk = 0.0022075 k( 72) = ( 0.5000000 0.1946668 0.6946668), wk = 0.0022075 k( 73) = ( 0.5000000 0.2044001 0.7044001), wk = 0.0022075 k( 74) = ( 0.5000000 0.2141335 0.7141335), wk = 0.0022075 k( 75) = ( 0.5000000 0.2141335 0.7141335), wk = 0.0022075 k( 76) = ( 0.4928399 0.2212801 0.7141200), wk = 0.0022075 k( 77) = ( 0.4856797 0.2284268 0.7141065), wk = 0.0022075 k( 78) = ( 0.4785196 0.2355735 0.7140930), wk = 0.0022075 k( 79) = ( 0.4713594 0.2427201 0.7140796), wk = 0.0022075 k( 80) = ( 0.4641993 0.2498668 0.7140661), wk = 0.0022075 k( 81) = ( 0.4570391 0.2570134 0.7140526), wk = 0.0022075 k( 82) = ( 0.4498790 0.2641601 0.7140391), wk = 0.0022075 k( 83) = ( 0.4427188 0.2713068 0.7140256), wk = 0.0022075 k( 84) = ( 0.4355587 0.2784534 0.7140121), wk = 0.0022075 k( 85) = ( 0.4283986 0.2856001 0.7139987), wk = 0.0022075 k( 86) = ( 0.4212384 0.2927468 0.7139852), wk = 0.0022075 k( 87) = ( 0.4140783 0.2998934 0.7139717), wk = 0.0022075 k( 88) = ( 0.4069181 0.3070401 0.7139582), wk = 0.0022075 k( 89) = ( 0.3997580 0.3141868 0.7139448), wk = 0.0022075 k( 90) = ( 0.3925979 0.3213334 0.7139313), wk = 0.0022075 k( 91) = ( 0.3854377 0.3284801 0.7139178), wk = 0.0022075 k( 92) = ( 0.3782776 0.3356267 0.7139043), wk = 0.0022075 k( 93) = ( 0.3711174 0.3427734 0.7138908), wk = 0.0022075 k( 94) = ( 0.3639573 0.3499201 0.7138773), wk = 0.0022075 k( 95) = ( 0.3567971 0.3570667 0.7138639), wk = 0.0022075 k( 96) = ( 0.3496370 0.3642134 0.7138504), wk = 0.0022075 k( 97) = ( 0.3424768 0.3713601 0.7138369), wk = 0.0022075 k( 98) = ( 0.3353167 0.3785067 0.7138234), wk = 0.0022075 k( 99) = ( 0.3281566 0.3856534 0.7138100), wk = 0.0022075 k( 100) = ( 0.3209964 0.3928001 0.7137965), wk = 0.0022075 k( 101) = ( 0.3138363 0.3999467 0.7137830), wk = 0.0022075 k( 102) = ( 0.3066761 0.4070934 0.7137695), wk = 0.0022075 k( 103) = ( 0.2995160 0.4142400 0.7137560), wk = 0.0022075 k( 104) = ( 0.2923558 0.4213867 0.7137425), wk = 0.0022075 k( 105) = ( 0.2851957 0.4285334 0.7137291), wk = 0.0022075 k( 106) = ( 0.2780356 0.4356800 0.7137156), wk = 0.0022075 k( 107) = ( 0.2708754 0.4428267 0.7137021), wk = 0.0022075 k( 108) = ( 0.2637153 0.4499734 0.7136886), wk = 0.0022075 k( 109) = ( 0.2565551 0.4571200 0.7136752), wk = 0.0022075 k( 110) = ( 0.2493950 0.4642667 0.7136617), wk = 0.0022075 k( 111) = ( 0.2422348 0.4714134 0.7136482), wk = 0.0022075 k( 112) = ( 0.2350747 0.4785600 0.7136347), wk = 0.0022075 k( 113) = ( 0.2279146 0.4857067 0.7136212), wk = 0.0022075 k( 114) = ( 0.2207544 0.4928533 0.7136077), wk = 0.0022075 k( 115) = ( 0.2135943 0.5000000 0.7135943), wk = 0.0022075 k( 116) = ( 0.2135943 0.5000000 0.7135943), wk = 0.0022075 k( 117) = ( 0.2038854 0.5000000 0.7038854), wk = 0.0022075 k( 118) = ( 0.1941766 0.5000000 0.6941766), wk = 0.0022075 k( 119) = ( 0.1844678 0.5000000 0.6844678), wk = 0.0022075 k( 120) = ( 0.1747589 0.5000000 0.6747589), wk = 0.0022075 k( 121) = ( 0.1650501 0.5000000 0.6650501), wk = 0.0022075 k( 122) = ( 0.1553413 0.5000000 0.6553413), wk = 0.0022075 k( 123) = ( 0.1456325 0.5000000 0.6456325), wk = 0.0022075 k( 124) = ( 0.1359236 0.5000000 0.6359236), wk = 0.0022075 k( 125) = ( 0.1262148 0.5000000 0.6262148), wk = 0.0022075 k( 126) = ( 0.1165060 0.5000000 0.6165060), wk = 0.0022075 k( 127) = ( 0.1067971 0.5000000 0.6067971), wk = 0.0022075 k( 128) = ( 0.0970883 0.5000000 0.5970883), wk = 0.0022075 k( 129) = ( 0.0873795 0.5000000 0.5873795), wk = 0.0022075 k( 130) = ( 0.0776706 0.5000000 0.5776706), wk = 0.0022075 k( 131) = ( 0.0679618 0.5000000 0.5679618), wk = 0.0022075 k( 132) = ( 0.0582530 0.5000000 0.5582530), wk = 0.0022075 k( 133) = ( 0.0485442 0.5000000 0.5485442), wk = 0.0022075 k( 134) = ( 0.0388353 0.5000000 0.5388353), wk = 0.0022075 k( 135) = ( 0.0291265 0.5000000 0.5291265), wk = 0.0022075 k( 136) = ( 0.0194177 0.5000000 0.5194177), wk = 0.0022075 k( 137) = ( 0.0097088 0.5000000 0.5097088), wk = 0.0022075 k( 138) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022075 k( 139) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022075 k( 140) = ( 0.0000000 0.4900000 0.4900000), wk = 0.0022075 k( 141) = ( 0.0000000 0.4800000 0.4800000), wk = 0.0022075 k( 142) = ( 0.0000000 0.4700000 0.4700000), wk = 0.0022075 k( 143) = ( 0.0000000 0.4600000 0.4600000), wk = 0.0022075 k( 144) = ( 0.0000000 0.4500000 0.4500000), wk = 0.0022075 k( 145) = ( 0.0000000 0.4400000 0.4400000), wk = 0.0022075 k( 146) = ( 0.0000000 0.4300000 0.4300000), wk = 0.0022075 k( 147) = ( 0.0000000 0.4200000 0.4200000), wk = 0.0022075 k( 148) = ( 0.0000000 0.4100000 0.4100000), wk = 0.0022075 k( 149) = ( 0.0000000 0.4000000 0.4000000), wk = 0.0022075 k( 150) = ( 0.0000000 0.3900000 0.3900000), wk = 0.0022075 k( 151) = ( 0.0000000 0.3800000 0.3800000), wk = 0.0022075 k( 152) = ( 0.0000000 0.3700000 0.3700000), wk = 0.0022075 k( 153) = ( 0.0000000 0.3600000 0.3600000), wk = 0.0022075 k( 154) = ( 0.0000000 0.3500000 0.3500000), wk = 0.0022075 k( 155) = ( 0.0000000 0.3400000 0.3400000), wk = 0.0022075 k( 156) = ( 0.0000000 0.3300000 0.3300000), wk = 0.0022075 k( 157) = ( 0.0000000 0.3200000 0.3200000), wk = 0.0022075 k( 158) = ( 0.0000000 0.3100000 0.3100000), wk = 0.0022075 k( 159) = ( 0.0000000 0.3000000 0.3000000), wk = 0.0022075 k( 160) = ( 0.0000000 0.2900000 0.2900000), wk = 0.0022075 k( 161) = ( 0.0000000 0.2800000 0.2800000), wk = 0.0022075 k( 162) = ( 0.0000000 0.2700000 0.2700000), wk = 0.0022075 k( 163) = ( 0.0000000 0.2600000 0.2600000), wk = 0.0022075 k( 164) = ( 0.0000000 0.2500000 0.2500000), wk = 0.0022075 k( 165) = ( 0.0000000 0.2400000 0.2400000), wk = 0.0022075 k( 166) = ( 0.0000000 0.2300000 0.2300000), wk = 0.0022075 k( 167) = ( 0.0000000 0.2200000 0.2200000), wk = 0.0022075 k( 168) = ( 0.0000000 0.2100000 0.2100000), wk = 0.0022075 k( 169) = ( 0.0000000 0.2000000 0.2000000), wk = 0.0022075 k( 170) = ( 0.0000000 0.1900000 0.1900000), wk = 0.0022075 k( 171) = ( 0.0000000 0.1800000 0.1800000), wk = 0.0022075 k( 172) = ( 0.0000000 0.1700000 0.1700000), wk = 0.0022075 k( 173) = ( 0.0000000 0.1600000 0.1600000), wk = 0.0022075 k( 174) = ( 0.0000000 0.1500000 0.1500000), wk = 0.0022075 k( 175) = ( 0.0000000 0.1400000 0.1400000), wk = 0.0022075 k( 176) = ( 0.0000000 0.1300000 0.1300000), wk = 0.0022075 k( 177) = ( 0.0000000 0.1200000 0.1200000), wk = 0.0022075 k( 178) = ( 0.0000000 0.1100000 0.1100000), wk = 0.0022075 k( 179) = ( 0.0000000 0.1000000 0.1000000), wk = 0.0022075 k( 180) = ( 0.0000000 0.0900000 0.0900000), wk = 0.0022075 k( 181) = ( 0.0000000 0.0800000 0.0800000), wk = 0.0022075 k( 182) = ( 0.0000000 0.0700000 0.0700000), wk = 0.0022075 k( 183) = ( 0.0000000 0.0600000 0.0600000), wk = 0.0022075 k( 184) = ( 0.0000000 0.0500000 0.0500000), wk = 0.0022075 k( 185) = ( 0.0000000 0.0400000 0.0400000), wk = 0.0022075 k( 186) = ( 0.0000000 0.0300000 0.0300000), wk = 0.0022075 k( 187) = ( 0.0000000 0.0200000 0.0200000), wk = 0.0022075 k( 188) = ( 0.0000000 0.0100000 0.0100000), wk = 0.0022075 k( 189) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022075 k( 190) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022075 k( 191) = ( 0.0108696 0.0108696 -0.0000000), wk = 0.0022075 k( 192) = ( 0.0217391 0.0217391 0.0000000), wk = 0.0022075 k( 193) = ( 0.0326087 0.0326087 -0.0000000), wk = 0.0022075 k( 194) = ( 0.0434783 0.0434783 0.0000000), wk = 0.0022075 k( 195) = ( 0.0543478 0.0543478 0.0000000), wk = 0.0022075 k( 196) = ( 0.0652174 0.0652174 0.0000000), wk = 0.0022075 k( 197) = ( 0.0760870 0.0760870 -0.0000000), wk = 0.0022075 k( 198) = ( 0.0869565 0.0869565 0.0000000), wk = 0.0022075 k( 199) = ( 0.0978261 0.0978261 0.0000000), wk = 0.0022075 k( 200) = ( 0.1086957 0.1086957 -0.0000000), wk = 0.0022075 k( 201) = ( 0.1195652 0.1195652 -0.0000000), wk = 0.0022075 k( 202) = ( 0.1304348 0.1304348 0.0000000), wk = 0.0022075 k( 203) = ( 0.1413043 0.1413043 0.0000000), wk = 0.0022075 k( 204) = ( 0.1521739 0.1521739 -0.0000000), wk = 0.0022075 k( 205) = ( 0.1630435 0.1630435 -0.0000000), wk = 0.0022075 k( 206) = ( 0.1739130 0.1739130 0.0000000), wk = 0.0022075 k( 207) = ( 0.1847826 0.1847826 -0.0000000), wk = 0.0022075 k( 208) = ( 0.1956522 0.1956522 0.0000000), wk = 0.0022075 k( 209) = ( 0.2065217 0.2065217 -0.0000000), wk = 0.0022075 k( 210) = ( 0.2173913 0.2173913 -0.0000000), wk = 0.0022075 k( 211) = ( 0.2282609 0.2282609 -0.0000000), wk = 0.0022075 k( 212) = ( 0.2391304 0.2391304 -0.0000000), wk = 0.0022075 k( 213) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0022075 k( 214) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0022075 k( 215) = ( 0.2717391 0.2717391 -0.0000000), wk = 0.0022075 k( 216) = ( 0.2826087 0.2826087 0.0000000), wk = 0.0022075 k( 217) = ( 0.2934783 0.2934783 -0.0000000), wk = 0.0022075 k( 218) = ( 0.3043478 0.3043478 0.0000000), wk = 0.0022075 k( 219) = ( 0.3152174 0.3152174 0.0000000), wk = 0.0022075 k( 220) = ( 0.3260870 0.3260870 -0.0000000), wk = 0.0022075 k( 221) = ( 0.3369565 0.3369565 0.0000000), wk = 0.0022075 k( 222) = ( 0.3478261 0.3478261 0.0000000), wk = 0.0022075 k( 223) = ( 0.3586956 0.3586956 -0.0000000), wk = 0.0022075 k( 224) = ( 0.3695652 0.3695652 -0.0000000), wk = 0.0022075 k( 225) = ( 0.3804348 0.3804348 -0.0000000), wk = 0.0022075 k( 226) = ( 0.3913044 0.3913044 0.0000000), wk = 0.0022075 k( 227) = ( 0.4021739 0.4021739 0.0000000), wk = 0.0022075 k( 228) = ( 0.4130435 0.4130435 -0.0000000), wk = 0.0022075 k( 229) = ( 0.4239130 0.4239130 0.0000000), wk = 0.0022075 k( 230) = ( 0.4347826 0.4347826 0.0000000), wk = 0.0022075 k( 231) = ( 0.4456522 0.4456522 -0.0000000), wk = 0.0022075 k( 232) = ( 0.4565217 0.4565217 -0.0000000), wk = 0.0022075 k( 233) = ( 0.4673913 0.4673913 -0.0000000), wk = 0.0022075 k( 234) = ( 0.4782609 0.4782609 0.0000000), wk = 0.0022075 k( 235) = ( 0.4891304 0.4891304 -0.0000000), wk = 0.0022075 k( 236) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022075 k( 237) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022075 k( 238) = ( 0.5098761 0.5000000 0.0098761), wk = 0.0022075 k( 239) = ( 0.5197521 0.5000000 0.0197521), wk = 0.0022075 k( 240) = ( 0.5296282 0.5000000 0.0296282), wk = 0.0022075 k( 241) = ( 0.5395042 0.5000000 0.0395042), wk = 0.0022075 k( 242) = ( 0.5493803 0.5000000 0.0493803), wk = 0.0022075 k( 243) = ( 0.5592564 0.5000000 0.0592564), wk = 0.0022075 k( 244) = ( 0.5691324 0.5000000 0.0691324), wk = 0.0022075 k( 245) = ( 0.5790085 0.5000000 0.0790085), wk = 0.0022075 k( 246) = ( 0.5888845 0.5000000 0.0888845), wk = 0.0022075 k( 247) = ( 0.5987606 0.5000000 0.0987606), wk = 0.0022075 k( 248) = ( 0.6086367 0.5000000 0.1086367), wk = 0.0022075 k( 249) = ( 0.6185127 0.5000000 0.1185127), wk = 0.0022075 k( 250) = ( 0.6283888 0.5000000 0.1283888), wk = 0.0022075 k( 251) = ( 0.6382648 0.5000000 0.1382648), wk = 0.0022075 k( 252) = ( 0.6481409 0.5000000 0.1481409), wk = 0.0022075 k( 253) = ( 0.6580170 0.5000000 0.1580169), wk = 0.0022075 k( 254) = ( 0.6678930 0.5000000 0.1678930), wk = 0.0022075 k( 255) = ( 0.6777691 0.5000000 0.1777691), wk = 0.0022075 k( 256) = ( 0.6876451 0.5000000 0.1876451), wk = 0.0022075 k( 257) = ( 0.6975212 0.5000000 0.1975212), wk = 0.0022075 k( 258) = ( 0.7073972 0.5000000 0.2073973), wk = 0.0022075 k( 259) = ( 0.7172733 0.5000000 0.2172733), wk = 0.0022075 k( 260) = ( 0.7271494 0.5000000 0.2271494), wk = 0.0022075 k( 261) = ( 0.7370254 0.5000000 0.2370254), wk = 0.0022075 k( 262) = ( 0.7469015 0.5000000 0.2469015), wk = 0.0022075 k( 263) = ( 0.7567776 0.5000000 0.2567776), wk = 0.0022075 k( 264) = ( 0.7666536 0.5000000 0.2666536), wk = 0.0022075 k( 265) = ( 0.7765297 0.5000000 0.2765297), wk = 0.0022075 k( 266) = ( 0.7864057 0.5000000 0.2864057), wk = 0.0022075 k( 267) = ( 0.7864057 0.5000000 0.2864057), wk = 0.0022075 k( 268) = ( 0.7852853 0.4922047 0.2930805), wk = 0.0022075 k( 269) = ( 0.7841648 0.4844094 0.2997554), wk = 0.0022075 k( 270) = ( 0.7830443 0.4766141 0.3064302), wk = 0.0022075 k( 271) = ( 0.7819238 0.4688188 0.3131050), wk = 0.0022075 k( 272) = ( 0.7808034 0.4610236 0.3197798), wk = 0.0022075 k( 273) = ( 0.7796829 0.4532283 0.3264547), wk = 0.0022075 k( 274) = ( 0.7785624 0.4454330 0.3331295), wk = 0.0022075 k( 275) = ( 0.7774420 0.4376377 0.3398043), wk = 0.0022075 k( 276) = ( 0.7763215 0.4298424 0.3464791), wk = 0.0022075 k( 277) = ( 0.7752010 0.4220471 0.3531539), wk = 0.0022075 k( 278) = ( 0.7740806 0.4142518 0.3598288), wk = 0.0022075 k( 279) = ( 0.7729601 0.4064565 0.3665036), wk = 0.0022075 k( 280) = ( 0.7718396 0.3986612 0.3731784), wk = 0.0022075 k( 281) = ( 0.7707192 0.3908659 0.3798532), wk = 0.0022075 k( 282) = ( 0.7695987 0.3830706 0.3865280), wk = 0.0022075 k( 283) = ( 0.7684782 0.3752754 0.3932029), wk = 0.0022075 k( 284) = ( 0.7673577 0.3674801 0.3998777), wk = 0.0022075 k( 285) = ( 0.7662373 0.3596848 0.4065525), wk = 0.0022075 k( 286) = ( 0.7651168 0.3518895 0.4132273), wk = 0.0022075 k( 287) = ( 0.7639963 0.3440942 0.4199021), wk = 0.0022075 k( 288) = ( 0.7628759 0.3362989 0.4265770), wk = 0.0022075 k( 289) = ( 0.7617554 0.3285036 0.4332518), wk = 0.0022075 k( 290) = ( 0.7606349 0.3207083 0.4399266), wk = 0.0022075 k( 291) = ( 0.7595145 0.3129130 0.4466014), wk = 0.0022075 k( 292) = ( 0.7583940 0.3051177 0.4532762), wk = 0.0022075 k( 293) = ( 0.7572735 0.2973225 0.4599511), wk = 0.0022075 k( 294) = ( 0.7561530 0.2895272 0.4666259), wk = 0.0022075 k( 295) = ( 0.7550326 0.2817319 0.4733007), wk = 0.0022075 k( 296) = ( 0.7539121 0.2739366 0.4799755), wk = 0.0022075 k( 297) = ( 0.7527917 0.2661413 0.4866504), wk = 0.0022075 k( 298) = ( 0.7516712 0.2583460 0.4933252), wk = 0.0022075 k( 299) = ( 0.7505507 0.2505507 0.5000000), wk = 0.0022075 k( 300) = ( 0.7505507 0.2505507 0.5000000), wk = 0.0022075 k( 301) = ( 0.7427210 0.2494127 0.5066917), wk = 0.0022075 k( 302) = ( 0.7348913 0.2482746 0.5133833), wk = 0.0022075 k( 303) = ( 0.7270616 0.2471366 0.5200750), wk = 0.0022075 k( 304) = ( 0.7192319 0.2459986 0.5267667), wk = 0.0022075 k( 305) = ( 0.7114022 0.2448605 0.5334583), wk = 0.0022075 k( 306) = ( 0.7035725 0.2437225 0.5401500), wk = 0.0022075 k( 307) = ( 0.6957427 0.2425844 0.5468417), wk = 0.0022075 k( 308) = ( 0.6879130 0.2414464 0.5535334), wk = 0.0022075 k( 309) = ( 0.6800833 0.2403084 0.5602250), wk = 0.0022075 k( 310) = ( 0.6722536 0.2391703 0.5669167), wk = 0.0022075 k( 311) = ( 0.6644239 0.2380323 0.5736084), wk = 0.0022075 k( 312) = ( 0.6565942 0.2368942 0.5803000), wk = 0.0022075 k( 313) = ( 0.6487645 0.2357562 0.5869917), wk = 0.0022075 k( 314) = ( 0.6409348 0.2346182 0.5936834), wk = 0.0022075 k( 315) = ( 0.6331051 0.2334801 0.6003751), wk = 0.0022075 k( 316) = ( 0.6252754 0.2323421 0.6070667), wk = 0.0022075 k( 317) = ( 0.6174456 0.2312040 0.6137584), wk = 0.0022075 k( 318) = ( 0.6096159 0.2300660 0.6204501), wk = 0.0022075 k( 319) = ( 0.6017862 0.2289280 0.6271418), wk = 0.0022075 k( 320) = ( 0.5939565 0.2277899 0.6338334), wk = 0.0022075 k( 321) = ( 0.5861268 0.2266519 0.6405251), wk = 0.0022075 k( 322) = ( 0.5782971 0.2255139 0.6472168), wk = 0.0022075 k( 323) = ( 0.5704674 0.2243758 0.6539084), wk = 0.0022075 k( 324) = ( 0.5626377 0.2232378 0.6606001), wk = 0.0022075 k( 325) = ( 0.5548080 0.2220997 0.6672918), wk = 0.0022075 k( 326) = ( 0.5469783 0.2209617 0.6739835), wk = 0.0022075 k( 327) = ( 0.5391485 0.2198237 0.6806751), wk = 0.0022075 k( 328) = ( 0.5313188 0.2186856 0.6873668), wk = 0.0022075 k( 329) = ( 0.5234891 0.2175476 0.6940585), wk = 0.0022075 k( 330) = ( 0.5156594 0.2164096 0.7007501), wk = 0.0022075 k( 331) = ( 0.5078297 0.2152715 0.7074418), wk = 0.0022075 k( 332) = ( 0.5000000 0.2141335 0.7141335), wk = 0.0022075 k( 333) = ( 0.5000000 0.7858665 0.2858665), wk = 0.0022075 k( 334) = ( 0.5000000 0.7760091 0.2760091), wk = 0.0022075 k( 335) = ( 0.5000000 0.7661516 0.2661516), wk = 0.0022075 k( 336) = ( 0.5000000 0.7562941 0.2562941), wk = 0.0022075 k( 337) = ( 0.5000000 0.7464367 0.2464367), wk = 0.0022075 k( 338) = ( 0.5000000 0.7365792 0.2365792), wk = 0.0022075 k( 339) = ( 0.5000000 0.7267217 0.2267217), wk = 0.0022075 k( 340) = ( 0.5000000 0.7168643 0.2168643), wk = 0.0022075 k( 341) = ( 0.5000000 0.7070068 0.2070068), wk = 0.0022075 k( 342) = ( 0.5000000 0.6971493 0.1971493), wk = 0.0022075 k( 343) = ( 0.5000000 0.6872919 0.1872919), wk = 0.0022075 k( 344) = ( 0.5000000 0.6774344 0.1774344), wk = 0.0022075 k( 345) = ( 0.5000000 0.6675769 0.1675769), wk = 0.0022075 k( 346) = ( 0.5000000 0.6577195 0.1577195), wk = 0.0022075 k( 347) = ( 0.5000000 0.6478620 0.1478620), wk = 0.0022075 k( 348) = ( 0.5000000 0.6380045 0.1380045), wk = 0.0022075 k( 349) = ( 0.5000000 0.6281471 0.1281471), wk = 0.0022075 k( 350) = ( 0.5000000 0.6182896 0.1182896), wk = 0.0022075 k( 351) = ( 0.5000000 0.6084321 0.1084321), wk = 0.0022075 k( 352) = ( 0.5000000 0.5985747 0.0985747), wk = 0.0022075 k( 353) = ( 0.5000000 0.5887172 0.0887172), wk = 0.0022075 k( 354) = ( 0.5000000 0.5788597 0.0788597), wk = 0.0022075 k( 355) = ( 0.5000000 0.5690023 0.0690023), wk = 0.0022075 k( 356) = ( 0.5000000 0.5591448 0.0591448), wk = 0.0022075 k( 357) = ( 0.5000000 0.5492873 0.0492873), wk = 0.0022075 k( 358) = ( 0.5000000 0.5394299 0.0394299), wk = 0.0022075 k( 359) = ( 0.5000000 0.5295724 0.0295724), wk = 0.0022075 k( 360) = ( 0.5000000 0.5197149 0.0197149), wk = 0.0022075 k( 361) = ( 0.5000000 0.5098575 0.0098575), wk = 0.0022075 k( 362) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022075 k( 363) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022075 k( 364) = ( 0.0108456 0.5108456 0.5000000), wk = 0.0022075 k( 365) = ( 0.0216912 0.5216912 0.5000000), wk = 0.0022075 k( 366) = ( 0.0325369 0.5325369 0.5000000), wk = 0.0022075 k( 367) = ( 0.0433825 0.5433825 0.5000000), wk = 0.0022075 k( 368) = ( 0.0542281 0.5542281 0.5000000), wk = 0.0022075 k( 369) = ( 0.0650737 0.5650737 0.5000000), wk = 0.0022075 k( 370) = ( 0.0759193 0.5759194 0.5000000), wk = 0.0022075 k( 371) = ( 0.0867650 0.5867650 0.5000000), wk = 0.0022075 k( 372) = ( 0.0976106 0.5976106 0.5000000), wk = 0.0022075 k( 373) = ( 0.1084562 0.6084562 0.5000000), wk = 0.0022075 k( 374) = ( 0.1193018 0.6193018 0.5000000), wk = 0.0022075 k( 375) = ( 0.1301475 0.6301475 0.5000000), wk = 0.0022075 k( 376) = ( 0.1409931 0.6409931 0.5000000), wk = 0.0022075 k( 377) = ( 0.1518387 0.6518387 0.5000000), wk = 0.0022075 k( 378) = ( 0.1626843 0.6626843 0.5000000), wk = 0.0022075 k( 379) = ( 0.1735299 0.6735299 0.5000000), wk = 0.0022075 k( 380) = ( 0.1843756 0.6843756 0.5000000), wk = 0.0022075 k( 381) = ( 0.1952212 0.6952212 0.5000000), wk = 0.0022075 k( 382) = ( 0.2060668 0.7060668 0.5000000), wk = 0.0022075 k( 383) = ( 0.2169124 0.7169124 0.5000000), wk = 0.0022075 k( 384) = ( 0.2277580 0.7277581 0.5000000), wk = 0.0022075 k( 385) = ( 0.2386037 0.7386037 0.5000000), wk = 0.0022075 k( 386) = ( 0.2494493 0.7494493 0.5000000), wk = 0.0022075 k( 387) = ( 0.7505507 0.2505507 0.5000000), wk = 0.0022075 k( 388) = ( 0.7396572 0.2396572 0.5000000), wk = 0.0022075 k( 389) = ( 0.7287637 0.2287637 0.5000000), wk = 0.0022075 k( 390) = ( 0.7178702 0.2178702 0.5000000), wk = 0.0022075 k( 391) = ( 0.7069767 0.2069767 0.5000000), wk = 0.0022075 k( 392) = ( 0.6960832 0.1960832 0.5000000), wk = 0.0022075 k( 393) = ( 0.6851896 0.1851897 0.5000000), wk = 0.0022075 k( 394) = ( 0.6742961 0.1742961 0.5000000), wk = 0.0022075 k( 395) = ( 0.6634026 0.1634026 0.5000000), wk = 0.0022075 k( 396) = ( 0.6525091 0.1525091 0.5000000), wk = 0.0022075 k( 397) = ( 0.6416156 0.1416156 0.5000000), wk = 0.0022075 k( 398) = ( 0.6307221 0.1307221 0.5000000), wk = 0.0022075 k( 399) = ( 0.6198286 0.1198286 0.5000000), wk = 0.0022075 k( 400) = ( 0.6089351 0.1089351 0.5000000), wk = 0.0022075 k( 401) = ( 0.5980416 0.0980416 0.5000000), wk = 0.0022075 k( 402) = ( 0.5871481 0.0871481 0.5000000), wk = 0.0022075 k( 403) = ( 0.5762546 0.0762546 0.5000000), wk = 0.0022075 k( 404) = ( 0.5653611 0.0653610 0.5000000), wk = 0.0022075 k( 405) = ( 0.5544675 0.0544675 0.5000000), wk = 0.0022075 k( 406) = ( 0.5435740 0.0435740 0.5000000), wk = 0.0022075 k( 407) = ( 0.5326805 0.0326805 0.5000000), wk = 0.0022075 k( 408) = ( 0.5217870 0.0217870 0.5000000), wk = 0.0022075 k( 409) = ( 0.5108935 0.0108935 0.5000000), wk = 0.0022075 k( 410) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022075 k( 411) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022075 k( 412) = ( 0.4880952 0.4880952 0.4880952), wk = 0.0022075 k( 413) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0022075 k( 414) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0022075 k( 415) = ( 0.4523810 0.4523810 0.4523810), wk = 0.0022075 k( 416) = ( 0.4404762 0.4404762 0.4404762), wk = 0.0022075 k( 417) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0022075 k( 418) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0022075 k( 419) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0022075 k( 420) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0022075 k( 421) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0022075 k( 422) = ( 0.3690476 0.3690476 0.3690476), wk = 0.0022075 k( 423) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0022075 k( 424) = ( 0.3452381 0.3452381 0.3452381), wk = 0.0022075 k( 425) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0022075 k( 426) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0022075 k( 427) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0022075 k( 428) = ( 0.2976190 0.2976190 0.2976190), wk = 0.0022075 k( 429) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0022075 k( 430) = ( 0.2738095 0.2738095 0.2738095), wk = 0.0022075 k( 431) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0022075 k( 432) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022075 k( 433) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0022075 k( 434) = ( 0.2261905 0.2261905 0.2261905), wk = 0.0022075 k( 435) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0022075 k( 436) = ( 0.2023810 0.2023810 0.2023809), wk = 0.0022075 k( 437) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0022075 k( 438) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0022075 k( 439) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0022075 k( 440) = ( 0.1547619 0.1547619 0.1547619), wk = 0.0022075 k( 441) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0022075 k( 442) = ( 0.1309524 0.1309524 0.1309524), wk = 0.0022075 k( 443) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0022075 k( 444) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0022075 k( 445) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0022075 k( 446) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0022075 k( 447) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0022075 k( 448) = ( 0.0595238 0.0595238 0.0595238), wk = 0.0022075 k( 449) = ( 0.0476191 0.0476191 0.0476190), wk = 0.0022075 k( 450) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0022075 k( 451) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0022075 k( 452) = ( 0.0119048 0.0119048 0.0119048), wk = 0.0022075 k( 453) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022075 Dense grid: 66571 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.32 Mb ( 498, 42) NL pseudopotentials 0.37 Mb ( 249, 98) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1849) G-vector shells 0.01 Mb ( 1690) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.28 Mb ( 498, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.13 Mb ( 98, 2, 42) The potential is recalculated from file : ./LiGeBO4.save/charge-density.dat Starting wfc are 58 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.7 secs Computing kpt #: 5 total cpu time spent up to now is 5.4 secs Computing kpt #: 6 total cpu time spent up to now is 6.0 secs Computing kpt #: 7 total cpu time spent up to now is 6.6 secs Computing kpt #: 8 total cpu time spent up to now is 7.2 secs Computing kpt #: 9 total cpu time spent up to now is 7.8 secs Computing kpt #: 10 total cpu time spent up to now is 8.5 secs Computing kpt #: 11 total cpu time spent up to now is 9.2 secs Computing kpt #: 12 total cpu time spent up to now is 9.8 secs Computing kpt #: 13 total cpu time spent up to now is 10.3 secs Computing kpt #: 14 total cpu time spent up to now is 11.0 secs Computing kpt #: 15 total cpu time spent up to now is 11.6 secs Computing kpt #: 16 total cpu time spent up to now is 12.3 secs Computing kpt #: 17 total cpu time spent up to now is 12.9 secs Computing kpt #: 18 total cpu time spent up to now is 13.6 secs Computing kpt #: 19 total cpu time spent up to now is 14.2 secs Computing kpt #: 20 total cpu time spent up to now is 14.8 secs Computing kpt #: 21 total cpu time spent up to now is 15.4 secs Computing kpt #: 22 total cpu time spent up to now is 16.0 secs Computing kpt #: 23 total cpu time spent up to now is 16.7 secs Computing kpt #: 24 total cpu time spent up to now is 17.3 secs Computing kpt #: 25 total cpu time spent up to now is 18.0 secs Computing kpt #: 26 total cpu time spent up to now is 18.6 secs Computing kpt #: 27 total cpu time spent up to now is 19.2 secs Computing kpt #: 28 total cpu time spent up to now is 19.8 secs Computing kpt #: 29 total cpu time spent up to now is 20.4 secs Computing kpt #: 30 total cpu time spent up to now is 21.1 secs Computing kpt #: 31 total cpu time spent up to now is 21.8 secs Computing kpt #: 32 total cpu time spent up to now is 22.4 secs Computing kpt #: 33 total cpu time spent up to now is 23.0 secs Computing kpt #: 34 total cpu time spent up to now is 23.6 secs Computing kpt #: 35 total cpu time spent up to now is 24.3 secs Computing kpt #: 36 total cpu time spent up to now is 24.9 secs Computing kpt #: 37 total cpu time spent up to now is 25.6 secs Computing kpt #: 38 total cpu time spent up to now is 26.2 secs Computing kpt #: 39 total cpu time spent up to now is 26.9 secs Computing kpt #: 40 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 28.6 secs Computing kpt #: 41 total cpu time spent up to now is 29.5 secs Computing kpt #: 42 total cpu time spent up to now is 31.0 secs Computing kpt #: 43 total cpu time spent up to now is 32.2 secs Computing kpt #: 44 total cpu time spent up to now is 33.0 secs Computing kpt #: 45 total cpu time spent up to now is 34.1 secs Computing kpt #: 46 total cpu time spent up to now is 35.1 secs Computing kpt #: 47 total cpu time spent up to now is 36.1 secs Computing kpt #: 48 total cpu time spent up to now is 36.9 secs Computing kpt #: 49 total cpu time spent up to now is 37.8 secs Computing kpt #: 50 total cpu time spent up to now is 38.7 secs Computing kpt #: 51 total cpu time spent up to now is 39.5 secs Computing kpt #: 52 total cpu time spent up to now is 40.5 secs Computing kpt #: 53 total cpu time spent up to now is 41.4 secs Computing kpt #: 54 total cpu time spent up to now is 42.2 secs Computing kpt #: 55 total cpu time spent up to now is 43.1 secs Computing kpt #: 56 total cpu time spent up to now is 44.1 secs Computing kpt #: 57 total cpu time spent up to now is 45.1 secs Computing kpt #: 58 total cpu time spent up to now is 46.1 secs Computing kpt #: 59 total cpu time spent up to now is 47.2 secs Computing kpt #: 60 total cpu time spent up to now is 48.2 secs Computing kpt #: 61 total cpu time spent up to now is 49.3 secs Computing kpt #: 62 total cpu time spent up to now is 50.3 secs Computing kpt #: 63 total cpu time spent up to now is 51.4 secs Computing kpt #: 64 total cpu time spent up to now is 52.4 secs Computing kpt #: 65 total cpu time spent up to now is 53.5 secs Computing kpt #: 66 total cpu time spent up to now is 54.4 secs Computing kpt #: 67 total cpu time spent up to now is 55.5 secs Computing kpt #: 68 total cpu time spent up to now is 56.5 secs Computing kpt #: 69 total cpu time spent up to now is 57.6 secs Computing kpt #: 70 total cpu time spent up to now is 58.6 secs Computing kpt #: 71 total cpu time spent up to now is 59.6 secs Computing kpt #: 72 total cpu time spent up to now is 60.5 secs Computing kpt #: 73 total cpu time spent up to now is 61.5 secs Computing kpt #: 74 total cpu time spent up to now is 62.5 secs Computing kpt #: 75 total cpu time spent up to now is 63.5 secs Computing kpt #: 76 total cpu time spent up to now is 64.3 secs Computing kpt #: 77 total cpu time spent up to now is 65.3 secs Computing kpt #: 78 total cpu time spent up to now is 66.1 secs Computing kpt #: 79 total cpu time spent up to now is 67.1 secs Computing kpt #: 80 total cpu time spent up to now is 68.1 secs Computing kpt #: 81 total cpu time spent up to now is 69.0 secs Computing kpt #: 82 total cpu time spent up to now is 69.9 secs Computing kpt #: 83 total cpu time spent up to now is 70.7 secs Computing kpt #: 84 total cpu time spent up to now is 71.6 secs Computing kpt #: 85 total cpu time spent up to now is 72.4 secs Computing kpt #: 86 total cpu time spent up to now is 73.3 secs Computing kpt #: 87 total cpu time spent up to now is 74.1 secs Computing kpt #: 88 total cpu time spent up to now is 74.9 secs Computing kpt #: 89 total cpu time spent up to now is 75.7 secs Computing kpt #: 90 total cpu time spent up to now is 76.7 secs Computing kpt #: 91 total cpu time spent up to now is 77.5 secs Computing kpt #: 92 total cpu time spent up to now is 78.3 secs Computing kpt #: 93 total cpu time spent up to now is 79.0 secs Computing kpt #: 94 total cpu time spent up to now is 79.7 secs Computing kpt #: 95 total cpu time spent up to now is 80.4 secs Computing kpt #: 96 total cpu time spent up to now is 81.0 secs Computing kpt #: 97 total cpu time spent up to now is 81.7 secs Computing kpt #: 98 total cpu time spent up to now is 82.4 secs Computing kpt #: 99 total cpu time spent up to now is 83.0 secs Computing kpt #: 100 total cpu time spent up to now is 83.6 secs Computing kpt #: 101 total cpu time spent up to now is 84.3 secs Computing kpt #: 102 total cpu time spent up to now is 85.0 secs Computing kpt #: 103 total cpu time spent up to now is 85.6 secs Computing kpt #: 104 total cpu time spent up to now is 86.2 secs Computing kpt #: 105 total cpu time spent up to now is 87.0 secs Computing kpt #: 106 total cpu time spent up to now is 87.6 secs Computing kpt #: 107 total cpu time spent up to now is 88.3 secs Computing kpt #: 108 total cpu time spent up to now is 89.0 secs Computing kpt #: 109 total cpu time spent up to now is 89.7 secs Computing kpt #: 110 total cpu time spent up to now is 90.3 secs Computing kpt #: 111 total cpu time spent up to now is 90.9 secs Computing kpt #: 112 total cpu time spent up to now is 91.6 secs Computing kpt #: 113 total cpu time spent up to now is 92.2 secs Computing kpt #: 114 total cpu time spent up to now is 93.0 secs Computing kpt #: 115 total cpu time spent up to now is 93.6 secs Computing kpt #: 116 total cpu time spent up to now is 94.4 secs Computing kpt #: 117 total cpu time spent up to now is 95.1 secs Computing kpt #: 118 total cpu time spent up to now is 95.8 secs Computing kpt #: 119 total cpu time spent up to now is 96.6 secs Computing kpt #: 120 total cpu time spent up to now is 97.4 secs Computing kpt #: 121 total cpu time spent up to now is 98.2 secs Computing kpt #: 122 total cpu time spent up to now is 99.0 secs Computing kpt #: 123 total cpu time spent up to now is 99.9 secs Computing kpt #: 124 total cpu time spent up to now is 100.9 secs Computing kpt #: 125 total cpu time spent up to now is 102.0 secs Computing kpt #: 126 total cpu time spent up to now is 102.8 secs Computing kpt #: 127 total cpu time spent up to now is 103.8 secs Computing kpt #: 128 total cpu time spent up to now is 104.8 secs Computing kpt #: 129 total cpu time spent up to now is 105.8 secs Computing kpt #: 130 total cpu time spent up to now is 106.7 secs Computing kpt #: 131 total cpu time spent up to now is 107.5 secs Computing kpt #: 132 total cpu time spent up to now is 108.4 secs Computing kpt #: 133 total cpu time spent up to now is 109.0 secs Computing kpt #: 134 total cpu time spent up to now is 109.7 secs Computing kpt #: 135 total cpu time spent up to now is 110.6 secs Computing kpt #: 136 total cpu time spent up to now is 111.4 secs Computing kpt #: 137 total cpu time spent up to now is 112.2 secs Computing kpt #: 138 total cpu time spent up to now is 113.1 secs Computing kpt #: 139 total cpu time spent up to now is 113.7 secs Computing kpt #: 140 total cpu time spent up to now is 114.5 secs Computing kpt #: 141 total cpu time spent up to now is 115.3 secs Computing kpt #: 142 total cpu time spent up to now is 116.2 secs Computing kpt #: 143 total cpu time spent up to now is 117.0 secs Computing kpt #: 144 total cpu time spent up to now is 117.8 secs Computing kpt #: 145 total cpu time spent up to now is 118.7 secs Computing kpt #: 146 total cpu time spent up to now is 119.6 secs Computing kpt #: 147 total cpu time spent up to now is 120.4 secs Computing kpt #: 148 total cpu time spent up to now is 121.2 secs Computing kpt #: 149 total cpu time spent up to now is 122.0 secs Computing kpt #: 150 total cpu time spent up to now is 122.8 secs Computing kpt #: 151 total cpu time spent up to now is 123.7 secs Computing kpt #: 152 total cpu time spent up to now is 124.5 secs Computing kpt #: 153 total cpu time spent up to now is 125.2 secs Computing kpt #: 154 total cpu time spent up to now is 125.9 secs Computing kpt #: 155 total cpu time spent up to now is 126.7 secs Computing kpt #: 156 total cpu time spent up to now is 127.4 secs Computing kpt #: 157 total cpu time spent up to now is 128.0 secs Computing kpt #: 158 total cpu time spent up to now is 128.8 secs Computing kpt #: 159 total cpu time spent up to now is 129.5 secs Computing kpt #: 160 total cpu time spent up to now is 130.2 secs Computing kpt #: 161 total cpu time spent up to now is 130.9 secs Computing kpt #: 162 total cpu time spent up to now is 131.6 secs Computing kpt #: 163 total cpu time spent up to now is 132.3 secs Computing kpt #: 164 total cpu time spent up to now is 132.9 secs Computing kpt #: 165 total cpu time spent up to now is 133.6 secs Computing kpt #: 166 total cpu time spent up to now is 134.2 secs Computing kpt #: 167 total cpu time spent up to now is 134.8 secs Computing kpt #: 168 total cpu time spent up to now is 135.5 secs Computing kpt #: 169 total cpu time spent up to now is 136.1 secs Computing kpt #: 170 total cpu time spent up to now is 136.8 secs Computing kpt #: 171 total cpu time spent up to now is 137.4 secs Computing kpt #: 172 total cpu time spent up to now is 138.1 secs Computing kpt #: 173 total cpu time spent up to now is 138.8 secs Computing kpt #: 174 total cpu time spent up to now is 139.4 secs Computing kpt #: 175 total cpu time spent up to now is 140.0 secs Computing kpt #: 176 total cpu time spent up to now is 140.7 secs Computing kpt #: 177 total cpu time spent up to now is 141.4 secs Computing kpt #: 178 total cpu time spent up to now is 141.9 secs Computing kpt #: 179 total cpu time spent up to now is 142.6 secs Computing kpt #: 180 total cpu time spent up to now is 143.2 secs Computing kpt #: 181 total cpu time spent up to now is 143.8 secs Computing kpt #: 182 total cpu time spent up to now is 144.4 secs Computing kpt #: 183 total cpu time spent up to now is 145.0 secs Computing kpt #: 184 total cpu time spent up to now is 145.6 secs Computing kpt #: 185 total cpu time spent up to now is 146.3 secs Computing kpt #: 186 total cpu time spent up to now is 146.9 secs Computing kpt #: 187 total cpu time spent up to now is 147.6 secs Computing kpt #: 188 total cpu time spent up to now is 148.2 secs Computing kpt #: 189 total cpu time spent up to now is 148.9 secs Computing kpt #: 190 total cpu time spent up to now is 149.5 secs Computing kpt #: 191 total cpu time spent up to now is 150.2 secs Computing kpt #: 192 total cpu time spent up to now is 150.8 secs Computing kpt #: 193 total cpu time spent up to now is 151.4 secs Computing kpt #: 194 total cpu time spent up to now is 152.1 secs Computing kpt #: 195 total cpu time spent up to now is 152.8 secs Computing kpt #: 196 total cpu time spent up to now is 153.4 secs Computing kpt #: 197 total cpu time spent up to now is 154.0 secs Computing kpt #: 198 total cpu time spent up to now is 154.7 secs Computing kpt #: 199 total cpu time spent up to now is 155.3 secs Computing kpt #: 200 total cpu time spent up to now is 155.9 secs Computing kpt #: 201 total cpu time spent up to now is 156.6 secs Computing kpt #: 202 total cpu time spent up to now is 157.2 secs Computing kpt #: 203 total cpu time spent up to now is 157.9 secs Computing kpt #: 204 total cpu time spent up to now is 158.5 secs Computing kpt #: 205 total cpu time spent up to now is 159.1 secs Computing kpt #: 206 total cpu time spent up to now is 159.8 secs Computing kpt #: 207 total cpu time spent up to now is 160.4 secs Computing kpt #: 208 total cpu time spent up to now is 161.1 secs Computing kpt #: 209 total cpu time spent up to now is 161.7 secs Computing kpt #: 210 total cpu time spent up to now is 162.4 secs Computing kpt #: 211 total cpu time spent up to now is 163.1 secs Computing kpt #: 212 total cpu time spent up to now is 163.9 secs Computing kpt #: 213 total cpu time spent up to now is 164.8 secs Computing kpt #: 214 total cpu time spent up to now is 165.6 secs Computing kpt #: 215 total cpu time spent up to now is 166.4 secs Computing kpt #: 216 total cpu time spent up to now is 167.4 secs Computing kpt #: 217 total cpu time spent up to now is 168.3 secs Computing kpt #: 218 total cpu time spent up to now is 169.3 secs Computing kpt #: 219 total cpu time spent up to now is 170.4 secs Computing kpt #: 220 total cpu time spent up to now is 171.4 secs Computing kpt #: 221 total cpu time spent up to now is 172.3 secs Computing kpt #: 222 total cpu time spent up to now is 173.2 secs Computing kpt #: 223 total cpu time spent up to now is 174.2 secs Computing kpt #: 224 total cpu time spent up to now is 174.8 secs Computing kpt #: 225 total cpu time spent up to now is 175.5 secs Computing kpt #: 226 total cpu time spent up to now is 176.1 secs Computing kpt #: 227 total cpu time spent up to now is 176.8 secs Computing kpt #: 228 total cpu time spent up to now is 177.4 secs Computing kpt #: 229 total cpu time spent up to now is 178.1 secs Computing kpt #: 230 total cpu time spent up to now is 178.7 secs Computing kpt #: 231 total cpu time spent up to now is 179.3 secs Computing kpt #: 232 total cpu time spent up to now is 180.0 secs Computing kpt #: 233 total cpu time spent up to now is 180.6 secs Computing kpt #: 234 total cpu time spent up to now is 181.3 secs Computing kpt #: 235 total cpu time spent up to now is 181.9 secs Computing kpt #: 236 total cpu time spent up to now is 182.5 secs Computing kpt #: 237 total cpu time spent up to now is 183.2 secs Computing kpt #: 238 total cpu time spent up to now is 183.8 secs Computing kpt #: 239 total cpu time spent up to now is 184.4 secs Computing kpt #: 240 total cpu time spent up to now is 185.1 secs Computing kpt #: 241 total cpu time spent up to now is 185.7 secs Computing kpt #: 242 total cpu time spent up to now is 186.4 secs Computing kpt #: 243 total cpu time spent up to now is 187.0 secs Computing kpt #: 244 total cpu time spent up to now is 187.6 secs Computing kpt #: 245 total cpu time spent up to now is 188.2 secs Computing kpt #: 246 total cpu time spent up to now is 188.9 secs Computing kpt #: 247 total cpu time spent up to now is 189.6 secs Computing kpt #: 248 total cpu time spent up to now is 190.2 secs Computing kpt #: 249 total cpu time spent up to now is 190.9 secs Computing kpt #: 250 total cpu time spent up to now is 191.6 secs Computing kpt #: 251 total cpu time spent up to now is 192.2 secs Computing kpt #: 252 total cpu time spent up to now is 192.8 secs Computing kpt #: 253 total cpu time spent up to now is 193.5 secs Computing kpt #: 254 total cpu time spent up to now is 194.1 secs Computing kpt #: 255 total cpu time spent up to now is 194.8 secs Computing kpt #: 256 total cpu time spent up to now is 195.4 secs Computing kpt #: 257 total cpu time spent up to now is 196.1 secs Computing kpt #: 258 total cpu time spent up to now is 196.8 secs Computing kpt #: 259 total cpu time spent up to now is 197.5 secs Computing kpt #: 260 total cpu time spent up to now is 198.1 secs Computing kpt #: 261 total cpu time spent up to now is 198.7 secs Computing kpt #: 262 total cpu time spent up to now is 199.4 secs Computing kpt #: 263 total cpu time spent up to now is 200.1 secs Computing kpt #: 264 total cpu time spent up to now is 200.8 secs Computing kpt #: 265 total cpu time spent up to now is 201.5 secs Computing kpt #: 266 total cpu time spent up to now is 202.3 secs Computing kpt #: 267 total cpu time spent up to now is 203.0 secs Computing kpt #: 268 total cpu time spent up to now is 203.8 secs Computing kpt #: 269 total cpu time spent up to now is 204.5 secs Computing kpt #: 270 total cpu time spent up to now is 205.3 secs Computing kpt #: 271 total cpu time spent up to now is 206.2 secs Computing kpt #: 272 total cpu time spent up to now is 206.9 secs Computing kpt #: 273 total cpu time spent up to now is 207.7 secs Computing kpt #: 274 total cpu time spent up to now is 208.5 secs Computing kpt #: 275 total cpu time spent up to now is 209.4 secs Computing kpt #: 276 total cpu time spent up to now is 210.2 secs Computing kpt #: 277 total cpu time spent up to now is 211.1 secs Computing kpt #: 278 total cpu time spent up to now is 212.0 secs Computing kpt #: 279 total cpu time spent up to now is 212.9 secs Computing kpt #: 280 total cpu time spent up to now is 213.8 secs Computing kpt #: 281 total cpu time spent up to now is 214.6 secs Computing kpt #: 282 total cpu time spent up to now is 215.4 secs Computing kpt #: 283 total cpu time spent up to now is 216.3 secs Computing kpt #: 284 total cpu time spent up to now is 217.2 secs Computing kpt #: 285 total cpu time spent up to now is 218.0 secs Computing kpt #: 286 total cpu time spent up to now is 218.9 secs Computing kpt #: 287 total cpu time spent up to now is 219.8 secs Computing kpt #: 288 total cpu time spent up to now is 220.7 secs Computing kpt #: 289 total cpu time spent up to now is 221.6 secs Computing kpt #: 290 total cpu time spent up to now is 222.6 secs Computing kpt #: 291 total cpu time spent up to now is 223.6 secs Computing kpt #: 292 total cpu time spent up to now is 224.5 secs Computing kpt #: 293 total cpu time spent up to now is 225.4 secs Computing kpt #: 294 total cpu time spent up to now is 226.4 secs Computing kpt #: 295 total cpu time spent up to now is 227.3 secs Computing kpt #: 296 total cpu time spent up to now is 228.3 secs Computing kpt #: 297 total cpu time spent up to now is 229.2 secs Computing kpt #: 298 total cpu time spent up to now is 230.1 secs Computing kpt #: 299 total cpu time spent up to now is 230.8 secs Computing kpt #: 300 total cpu time spent up to now is 231.5 secs Computing kpt #: 301 total cpu time spent up to now is 232.1 secs Computing kpt #: 302 total cpu time spent up to now is 233.0 secs Computing kpt #: 303 total cpu time spent up to now is 233.7 secs Computing kpt #: 304 total cpu time spent up to now is 234.3 secs Computing kpt #: 305 total cpu time spent up to now is 235.0 secs Computing kpt #: 306 total cpu time spent up to now is 236.0 secs Computing kpt #: 307 total cpu time spent up to now is 236.8 secs Computing kpt #: 308 total cpu time spent up to now is 237.4 secs Computing kpt #: 309 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 239.1 secs Computing kpt #: 310 total cpu time spent up to now is 240.3 secs Computing kpt #: 311 total cpu time spent up to now is 241.4 secs Computing kpt #: 312 total cpu time spent up to now is 242.4 secs Computing kpt #: 313 total cpu time spent up to now is 243.6 secs Computing kpt #: 314 total cpu time spent up to now is 245.0 secs Computing kpt #: 315 total cpu time spent up to now is 246.2 secs Computing kpt #: 316 total cpu time spent up to now is 247.6 secs Computing kpt #: 317 total cpu time spent up to now is 248.7 secs Computing kpt #: 318 total cpu time spent up to now is 249.8 secs Computing kpt #: 319 total cpu time spent up to now is 250.9 secs Computing kpt #: 320 total cpu time spent up to now is 252.1 secs Computing kpt #: 321 total cpu time spent up to now is 253.2 secs Computing kpt #: 322 total cpu time spent up to now is 254.3 secs Computing kpt #: 323 total cpu time spent up to now is 255.3 secs Computing kpt #: 324 total cpu time spent up to now is 256.3 secs Computing kpt #: 325 total cpu time spent up to now is 257.3 secs Computing kpt #: 326 total cpu time spent up to now is 258.3 secs Computing kpt #: 327 total cpu time spent up to now is 259.4 secs Computing kpt #: 328 total cpu time spent up to now is 260.4 secs Computing kpt #: 329 total cpu time spent up to now is 261.4 secs Computing kpt #: 330 total cpu time spent up to now is 262.4 secs Computing kpt #: 331 total cpu time spent up to now is 263.4 secs Computing kpt #: 332 total cpu time spent up to now is 264.2 secs Computing kpt #: 333 total cpu time spent up to now is 265.2 secs Computing kpt #: 334 total cpu time spent up to now is 266.2 secs Computing kpt #: 335 total cpu time spent up to now is 267.2 secs Computing kpt #: 336 total cpu time spent up to now is 268.0 secs Computing kpt #: 337 total cpu time spent up to now is 268.8 secs Computing kpt #: 338 total cpu time spent up to now is 269.6 secs Computing kpt #: 339 total cpu time spent up to now is 270.2 secs Computing kpt #: 340 total cpu time spent up to now is 271.1 secs Computing kpt #: 341 total cpu time spent up to now is 271.8 secs Computing kpt #: 342 total cpu time spent up to now is 272.6 secs Computing kpt #: 343 total cpu time spent up to now is 273.3 secs Computing kpt #: 344 total cpu time spent up to now is 273.9 secs Computing kpt #: 345 total cpu time spent up to now is 274.6 secs Computing kpt #: 346 total cpu time spent up to now is 275.4 secs Computing kpt #: 347 total cpu time spent up to now is 276.0 secs Computing kpt #: 348 total cpu time spent up to now is 276.7 secs Computing kpt #: 349 total cpu time spent up to now is 277.3 secs Computing kpt #: 350 total cpu time spent up to now is 278.0 secs Computing kpt #: 351 total cpu time spent up to now is 278.6 secs Computing kpt #: 352 total cpu time spent up to now is 279.2 secs Computing kpt #: 353 total cpu time spent up to now is 279.9 secs Computing kpt #: 354 total cpu time spent up to now is 280.5 secs Computing kpt #: 355 total cpu time spent up to now is 281.1 secs Computing kpt #: 356 total cpu time spent up to now is 281.7 secs Computing kpt #: 357 total cpu time spent up to now is 282.3 secs Computing kpt #: 358 total cpu time spent up to now is 283.0 secs Computing kpt #: 359 total cpu time spent up to now is 283.6 secs Computing kpt #: 360 total cpu time spent up to now is 284.3 secs Computing kpt #: 361 total cpu time spent up to now is 284.9 secs Computing kpt #: 362 total cpu time spent up to now is 285.5 secs Computing kpt #: 363 total cpu time spent up to now is 286.3 secs Computing kpt #: 364 total cpu time spent up to now is 287.2 secs Computing kpt #: 365 total cpu time spent up to now is 287.9 secs Computing kpt #: 366 total cpu time spent up to now is 288.7 secs Computing kpt #: 367 total cpu time spent up to now is 289.5 secs Computing kpt #: 368 total cpu time spent up to now is 290.3 secs Computing kpt #: 369 total cpu time spent up to now is 291.0 secs Computing kpt #: 370 total cpu time spent up to now is 291.8 secs Computing kpt #: 371 total cpu time spent up to now is 292.7 secs Computing kpt #: 372 total cpu time spent up to now is 293.7 secs Computing kpt #: 373 total cpu time spent up to now is 294.5 secs Computing kpt #: 374 total cpu time spent up to now is 295.3 secs Computing kpt #: 375 total cpu time spent up to now is 296.0 secs Computing kpt #: 376 total cpu time spent up to now is 296.8 secs Computing kpt #: 377 total cpu time spent up to now is 297.6 secs Computing kpt #: 378 total cpu time spent up to now is 298.3 secs Computing kpt #: 379 total cpu time spent up to now is 299.0 secs Computing kpt #: 380 total cpu time spent up to now is 299.7 secs Computing kpt #: 381 total cpu time spent up to now is 300.3 secs Computing kpt #: 382 total cpu time spent up to now is 301.2 secs Computing kpt #: 383 total cpu time spent up to now is 302.1 secs Computing kpt #: 384 total cpu time spent up to now is 302.7 secs Computing kpt #: 385 total cpu time spent up to now is 303.5 secs Computing kpt #: 386 total cpu time spent up to now is 304.2 secs Computing kpt #: 387 total cpu time spent up to now is 305.0 secs Computing kpt #: 388 total cpu time spent up to now is 305.8 secs Computing kpt #: 389 total cpu time spent up to now is 306.4 secs Computing kpt #: 390 total cpu time spent up to now is 307.1 secs Computing kpt #: 391 total cpu time spent up to now is 307.7 secs Computing kpt #: 392 total cpu time spent up to now is 308.4 secs Computing kpt #: 393 total cpu time spent up to now is 309.1 secs Computing kpt #: 394 total cpu time spent up to now is 309.7 secs Computing kpt #: 395 total cpu time spent up to now is 310.5 secs Computing kpt #: 396 total cpu time spent up to now is 311.1 secs Computing kpt #: 397 total cpu time spent up to now is 312.1 secs Computing kpt #: 398 total cpu time spent up to now is 313.9 secs Computing kpt #: 399 total cpu time spent up to now is 314.7 secs Computing kpt #: 400 total cpu time spent up to now is 315.6 secs Computing kpt #: 401 total cpu time spent up to now is 316.8 secs Computing kpt #: 402 total cpu time spent up to now is 317.7 secs Computing kpt #: 403 total cpu time spent up to now is 318.8 secs Computing kpt #: 404 total cpu time spent up to now is 319.7 secs Computing kpt #: 405 total cpu time spent up to now is 320.6 secs Computing kpt #: 406 total cpu time spent up to now is 321.4 secs Computing kpt #: 407 total cpu time spent up to now is 322.3 secs Computing kpt #: 408 total cpu time spent up to now is 323.1 secs Computing kpt #: 409 total cpu time spent up to now is 324.1 secs Computing kpt #: 410 total cpu time spent up to now is 325.0 secs Computing kpt #: 411 total cpu time spent up to now is 325.8 secs Computing kpt #: 412 total cpu time spent up to now is 326.7 secs Computing kpt #: 413 total cpu time spent up to now is 327.3 secs Computing kpt #: 414 total cpu time spent up to now is 327.9 secs Computing kpt #: 415 total cpu time spent up to now is 328.8 secs Computing kpt #: 416 total cpu time spent up to now is 329.7 secs Computing kpt #: 417 total cpu time spent up to now is 330.5 secs Computing kpt #: 418 total cpu time spent up to now is 331.4 secs Computing kpt #: 419 total cpu time spent up to now is 332.2 secs Computing kpt #: 420 total cpu time spent up to now is 333.0 secs Computing kpt #: 421 total cpu time spent up to now is 333.8 secs Computing kpt #: 422 total cpu time spent up to now is 334.5 secs Computing kpt #: 423 total cpu time spent up to now is 335.4 secs Computing kpt #: 424 total cpu time spent up to now is 336.1 secs Computing kpt #: 425 total cpu time spent up to now is 337.0 secs Computing kpt #: 426 total cpu time spent up to now is 337.9 secs Computing kpt #: 427 total cpu time spent up to now is 338.6 secs Computing kpt #: 428 total cpu time spent up to now is 339.4 secs Computing kpt #: 429 total cpu time spent up to now is 340.3 secs Computing kpt #: 430 total cpu time spent up to now is 341.0 secs Computing kpt #: 431 total cpu time spent up to now is 341.8 secs Computing kpt #: 432 total cpu time spent up to now is 342.7 secs Computing kpt #: 433 total cpu time spent up to now is 343.5 secs Computing kpt #: 434 total cpu time spent up to now is 344.1 secs Computing kpt #: 435 total cpu time spent up to now is 345.0 secs Computing kpt #: 436 total cpu time spent up to now is 345.7 secs Computing kpt #: 437 total cpu time spent up to now is 346.5 secs Computing kpt #: 438 total cpu time spent up to now is 347.3 secs Computing kpt #: 439 total cpu time spent up to now is 348.1 secs Computing kpt #: 440 total cpu time spent up to now is 348.8 secs Computing kpt #: 441 total cpu time spent up to now is 349.4 secs Computing kpt #: 442 total cpu time spent up to now is 350.0 secs Computing kpt #: 443 total cpu time spent up to now is 350.7 secs Computing kpt #: 444 total cpu time spent up to now is 351.4 secs Computing kpt #: 445 total cpu time spent up to now is 352.0 secs Computing kpt #: 446 total cpu time spent up to now is 352.6 secs Computing kpt #: 447 total cpu time spent up to now is 353.3 secs Computing kpt #: 448 total cpu time spent up to now is 353.9 secs Computing kpt #: 449 total cpu time spent up to now is 354.5 secs Computing kpt #: 450 total cpu time spent up to now is 355.2 secs Computing kpt #: 451 total cpu time spent up to now is 355.8 secs Computing kpt #: 452 total cpu time spent up to now is 356.4 secs Computing kpt #: 453 total cpu time spent up to now is 357.0 secs ethr = 2.94E-08, avg # of iterations = 28.1 total cpu time spent up to now is 357.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8321 PWs) bands (ev): -40.8673 -40.8673 -14.7346 -14.7346 -13.2306 -13.2306 -12.3797 -12.3797 -12.1228 -12.1228 -4.4151 -4.4151 -1.0509 -1.0509 -0.6961 -0.6961 -0.4278 -0.4278 0.3362 0.3362 0.9161 0.9161 1.0056 1.0056 2.2264 2.2264 3.0178 3.0178 3.7644 3.7644 3.8083 3.8083 4.1437 4.1437 5.6322 5.6322 7.2475 7.2475 11.2923 11.2923 11.5120 11.5120 k = 0.0100-0.0064 0.0087 ( 8307 PWs) bands (ev): -40.8673 -40.8673 -14.7340 -14.7339 -13.2313 -13.2309 -12.3798 -12.3798 -12.1233 -12.1229 -4.4137 -4.4134 -1.0555 -1.0536 -0.6998 -0.6971 -0.4279 -0.4276 0.3375 0.3379 0.9186 0.9204 1.0024 1.0025 2.2297 2.2304 3.0187 3.0193 3.7641 3.7642 3.8077 3.8079 4.1396 4.1407 5.6377 5.6391 7.2477 7.2485 11.2885 11.2899 11.5124 11.5125 k = 0.0200-0.0128 0.0174 ( 8301 PWs) bands (ev): -40.8673 -40.8673 -14.7322 -14.7320 -13.2330 -13.2321 -12.3803 -12.3803 -12.1246 -12.1237 -4.4091 -4.4086 -1.0671 -1.0634 -0.7080 -0.7027 -0.4277 -0.4273 0.3419 0.3426 0.9279 0.9312 0.9933 0.9933 2.2402 2.2416 3.0221 3.0231 3.7633 3.7633 3.8060 3.8064 4.1285 4.1307 5.6555 5.6583 7.2490 7.2507 11.2783 11.2811 11.5138 11.5139 k = 0.0300-0.0192 0.0261 ( 8301 PWs) bands (ev): -40.8673 -40.8673 -14.7292 -14.7289 -13.2356 -13.2342 -12.3810 -12.3810 -12.1265 -12.1253 -4.4015 -4.4007 -1.0856 -1.0802 -0.7205 -0.7128 -0.4274 -0.4268 0.3491 0.3502 0.9435 0.9479 0.9787 0.9792 2.2575 2.2596 3.0278 3.0293 3.7619 3.7619 3.8033 3.8039 4.1110 4.1141 5.6853 5.6893 7.2514 7.2540 11.2616 11.2658 11.5162 11.5163 k = 0.0400-0.0256 0.0348 ( 8301 PWs) bands (ev): -40.8673 -40.8673 -14.7249 -14.7246 -13.2392 -13.2373 -12.3821 -12.3821 -12.1292 -12.1275 -4.3907 -4.3897 -1.1107 -1.1036 -0.7369 -0.7269 -0.4270 -0.4262 0.3591 0.3604 0.9546 0.9563 0.9680 0.9761 2.2811 2.2837 3.0359 3.0380 3.7598 3.7599 3.7995 3.8003 4.0875 4.0915 5.7262 5.7313 7.2551 7.2585 11.2380 11.2434 11.5194 11.5196 k = 0.0500-0.0320 0.0435 ( 8297 PWs) bands (ev): -40.8673 -40.8673 -14.7195 -14.7191 -13.2437 -13.2413 -12.3835 -12.3834 -12.1325 -12.1305 -4.3770 -4.3757 -1.1419 -1.1333 -0.7568 -0.7447 -0.4265 -0.4256 0.3715 0.3731 0.9321 0.9334 0.9946 1.0035 2.3101 2.3134 3.0463 3.0489 3.7572 3.7573 3.7947 3.7956 4.0588 4.0635 5.7774 5.7833 7.2600 7.2644 11.2069 11.2135 11.5236 11.5238 k = 0.0600-0.0384 0.0523 ( 8293 PWs) bands (ev): -40.8673 -40.8673 -14.7128 -14.7123 -13.2491 -13.2463 -12.3851 -12.3851 -12.1366 -12.1341 -4.3604 -4.3588 -1.1788 -1.1687 -0.7796 -0.7656 -0.4259 -0.4249 0.3863 0.3880 0.9043 0.9055 1.0279 1.0377 2.3439 2.3478 3.0591 3.0622 3.7539 3.7540 3.7887 3.7898 4.0256 4.0309 5.8378 5.8443 7.2663 7.2717 11.1678 11.1754 11.5286 11.5288 k = 0.0700-0.0448 0.0610 ( 8293 PWs) bands (ev): -40.8673 -40.8673 -14.7050 -14.7044 -13.2553 -13.2521 -12.3871 -12.3870 -12.1414 -12.1385 -4.3409 -4.3391 -1.2208 -1.2094 -0.8048 -0.7892 -0.4254 -0.4243 0.4031 0.4048 0.8735 0.8746 1.0662 1.0768 2.3817 2.3862 3.0741 3.0778 3.7499 3.7501 3.7817 3.7828 3.9886 3.9944 5.9065 5.9133 7.2741 7.2805 11.1204 11.1287 11.5344 11.5347 k = 0.0800-0.0512 0.0697 ( 8297 PWs) bands (ev): -40.8673 -40.8673 -14.6959 -14.6953 -13.2623 -13.2587 -12.3893 -12.3892 -12.1469 -12.1437 -4.3187 -4.3167 -1.2673 -1.2546 -0.8319 -0.8148 -0.4249 -0.4238 0.4216 0.4234 0.8407 0.8417 1.1089 1.1202 2.4228 2.4279 3.0913 3.0956 3.7450 3.7452 3.7737 3.7749 3.9486 3.9547 5.9823 5.9892 7.2837 7.2911 11.0642 11.0730 11.5411 11.5414 k = 0.0900-0.0576 0.0784 ( 8309 PWs) bands (ev): -40.8673 -40.8673 -14.6857 -14.6850 -13.2702 -13.2661 -12.3918 -12.3917 -12.1531 -12.1496 -4.2939 -4.2918 -1.3179 -1.3040 -0.8604 -0.8419 -0.4247 -0.4236 0.4417 0.4434 0.8064 0.8074 1.1555 1.1673 2.4666 2.4723 3.1107 3.1155 3.7390 3.7393 3.7648 3.7660 3.9059 3.9122 6.0641 6.0708 7.2951 7.3038 10.9989 11.0079 11.5484 11.5488 k = 0.1000-0.0640 0.0871 ( 8313 PWs) bands (ev): -40.8673 -40.8673 -14.6743 -14.6735 -13.2787 -13.2743 -12.3945 -12.3944 -12.1601 -12.1562 -4.2668 -4.2645 -1.3719 -1.3569 -0.8897 -0.8699 -0.4248 -0.4237 0.4632 0.4648 0.7714 0.7723 1.2054 1.2175 2.5126 2.5188 3.1323 3.1376 3.7314 3.7318 3.7556 3.7567 3.8612 3.8675 6.1509 6.1570 7.3090 7.3190 10.9248 10.9336 11.5565 11.5568 k = 0.1100-0.0704 0.0958 ( 8305 PWs) bands (ev): -40.8673 -40.8673 -14.6618 -14.6609 -13.2880 -13.2832 -12.3975 -12.3974 -12.1678 -12.1636 -4.2374 -4.2349 -1.4287 -1.4128 -0.9194 -0.8985 -0.4254 -0.4243 0.4860 0.4874 0.7362 0.7371 1.2582 1.2705 2.5602 2.5669 3.1558 3.1617 3.7217 3.7221 3.7465 3.7473 3.8150 3.8211 6.2413 6.2466 7.3257 7.3372 10.8419 10.8503 11.5651 11.5655 k = 0.1200-0.0768 0.1045 ( 8305 PWs) bands (ev): -40.8673 -40.8673 -14.6482 -14.6472 -13.2979 -13.2927 -12.4007 -12.4006 -12.1763 -12.1718 -4.2059 -4.2034 -1.4880 -1.4711 -0.9491 -0.9271 -0.4266 -0.4255 0.5098 0.5111 0.7015 0.7023 1.3136 1.3259 2.6090 2.6163 3.1813 3.1878 3.7091 3.7093 3.7377 3.7384 3.7681 3.7734 6.3340 6.3381 7.3461 7.3592 10.7509 10.7586 11.5743 11.5747 k = 0.1300-0.0832 0.1132 ( 8293 PWs) bands (ev): -40.8673 -40.8673 -14.6334 -14.6323 -13.3083 -13.3028 -12.4042 -12.4040 -12.1856 -12.1808 -4.1727 -4.1701 -1.5491 -1.5313 -0.9783 -0.9553 -0.4285 -0.4274 0.5346 0.5357 0.6676 0.6683 1.3710 1.3833 2.6587 2.6665 3.2086 3.2156 3.6906 3.6937 3.7219 3.7227 3.7311 3.7318 6.4273 6.4298 7.3711 7.3860 10.6522 10.6591 11.5839 11.5844 k = 0.1400-0.0896 0.1219 ( 8307 PWs) bands (ev): -40.8673 -40.8673 -14.6176 -14.6164 -13.3193 -13.3135 -12.4078 -12.4077 -12.1957 -12.1906 -4.1379 -4.1352 -1.6116 -1.5930 -1.0068 -0.9827 -0.4314 -0.4303 0.5602 0.5612 0.6350 0.6356 1.4302 1.4423 2.7090 2.7173 3.2376 3.2452 3.6569 3.6674 3.6834 3.6893 3.7224 3.7225 6.5193 6.5198 7.4020 7.4190 10.5468 10.5526 11.5939 11.5945 k = 0.1500-0.0960 0.1306 ( 8299 PWs) bands (ev): -40.8672 -40.8672 -14.6007 -14.5995 -13.3308 -13.3247 -12.4116 -12.4115 -12.2066 -12.2012 -4.1018 -4.0991 -1.6750 -1.6556 -1.0340 -1.0090 -0.4354 -0.4343 0.5860 0.5874 0.6048 0.6049 1.4908 1.5026 2.7596 2.7684 3.2681 3.2763 3.6096 3.6197 3.6613 3.6668 3.7144 3.7145 6.6059 6.6077 7.4406 7.4598 10.4353 10.4400 11.6042 11.6048 k = 0.1600-0.1024 0.1393 ( 8291 PWs) bands (ev): -40.8672 -40.8672 -14.5828 -14.5815 -13.3427 -13.3363 -12.4156 -12.4155 -12.2183 -12.2127 -4.0648 -4.0620 -1.7388 -1.7187 -1.0598 -1.0339 -0.4406 -0.4395 0.5743 0.5754 0.6150 0.6151 1.5525 1.5640 2.8104 2.8197 3.3001 3.3088 3.5591 3.5685 3.6401 3.6453 3.7063 3.7064 6.6858 6.6900 7.4887 7.5101 10.3186 10.3222 11.6147 11.6153 k = 0.1700-0.1088 0.1481 ( 8303 PWs) bands (ev): -40.8672 -40.8672 -14.5638 -14.5625 -13.3549 -13.3482 -12.4198 -12.4196 -12.2308 -12.2249 -4.0271 -4.0243 -1.8027 -1.7819 -1.0837 -1.0569 -0.4471 -0.4461 0.5479 0.5487 0.6429 0.6431 1.6151 1.6261 2.8611 2.8708 3.3333 3.3425 3.5074 3.5166 3.6176 3.6227 3.6980 3.6981 6.7572 6.7639 7.5482 7.5715 10.1975 10.2000 11.6253 11.6259 k = 0.1800-0.1152 0.1568 ( 8311 PWs) bands (ev): -40.8672 -40.8672 -14.5440 -14.5425 -13.3673 -13.3604 -12.4241 -12.4239 -12.2441 -12.2381 -3.9890 -3.9863 -1.8662 -1.8447 -1.1055 -1.0779 -0.4552 -0.4542 0.5239 0.5245 0.6717 0.6721 1.6781 1.6887 2.9116 2.9218 3.3676 3.3772 3.4553 3.4643 3.5935 3.5987 3.6895 3.6896 6.8185 6.8274 7.6202 7.6451 10.0730 10.0745 11.6358 11.6365 k = 0.1900-0.1216 0.1655 ( 8315 PWs) bands (ev): -40.8672 -40.8672 -14.5232 -14.5217 -13.3800 -13.3729 -12.4285 -12.4283 -12.2582 -12.2520 -3.9511 -3.9484 -1.9289 -1.9069 -1.1248 -1.0964 -0.4648 -0.4638 0.5025 0.5031 0.7013 0.7018 1.7415 1.7515 2.9618 2.9724 3.4026 3.4030 3.4120 3.4128 3.5679 3.5733 3.6809 3.6810 6.8691 6.8797 7.7051 7.7309 9.9457 9.9463 11.6462 11.6469 k = 0.2000-0.1280 0.1742 ( 8307 PWs) bands (ev): -40.8672 -40.8672 -14.5015 -14.4999 -13.3928 -13.3855 -12.4330 -12.4329 -12.2732 -12.2668 -3.9136 -3.9109 -1.9905 -1.9679 -1.1415 -1.1122 -0.4761 -0.4751 0.4840 0.4845 0.7316 0.7324 1.8049 1.8144 3.0116 3.0226 3.3508 3.3596 3.4384 3.4488 3.5409 3.5465 3.6721 3.6723 6.9092 6.9210 7.8020 7.8282 9.8165 9.8167 11.6564 11.6571 k = 0.2100-0.1344 0.1829 ( 8311 PWs) bands (ev): -40.8672 -40.8672 -14.4789 -14.4773 -13.4057 -13.3982 -12.4377 -12.4375 -12.2890 -12.2825 -3.8770 -3.8744 -2.0505 -2.0275 -1.1551 -1.1251 -0.4890 -0.4880 0.4684 0.4689 0.7627 0.7637 1.8681 1.8770 3.0609 3.0722 3.2986 3.3074 3.4744 3.4850 3.5125 3.5184 3.6634 3.6637 6.9395 6.9523 7.9093 7.9353 9.6859 9.6867 11.6663 11.6670 k = 0.2200-0.1408 0.1916 ( 8303 PWs) bands (ev): -40.8672 -40.8672 -14.4556 -14.4539 -13.4186 -13.4110 -12.4423 -12.4421 -12.3056 -12.2990 -3.8417 -3.8392 -2.1088 -2.0854 -1.1655 -1.1348 -0.5035 -0.5025 0.4558 0.4561 0.7945 0.7957 1.9309 1.9392 3.1097 3.1212 3.2469 3.2556 3.4826 3.4888 3.5104 3.5210 3.6550 3.6555 6.9612 6.9747 8.0251 8.0505 9.5553 9.5566 11.6757 11.6764 k = 0.2300-0.1472 0.2003 ( 8299 PWs) bands (ev): -40.8672 -40.8672 -14.4315 -14.4298 -13.4314 -13.4236 -12.4471 -12.4468 -12.3231 -12.3164 -3.8082 -3.8058 -2.1648 -2.1411 -1.1723 -1.1410 -0.5194 -0.5185 0.4460 0.4463 0.8271 0.8285 1.9930 2.0006 3.1576 3.1693 3.1956 3.2044 3.4517 3.4581 3.5453 3.5556 3.6477 3.6487 6.9753 6.9894 8.1476 8.1719 9.4257 9.4272 11.6846 11.6854 k = 0.2400-0.1536 0.2090 ( 8311 PWs) bands (ev): -40.8672 -40.8672 -14.4068 -14.4049 -13.4441 -13.4362 -12.4519 -12.4516 -12.3413 -12.3346 -3.7768 -3.7745 -2.2185 -2.1945 -1.1754 -1.1435 -0.5367 -0.5358 0.4390 0.4392 0.8605 0.8620 2.0542 2.0612 3.1448 3.1535 3.2049 3.2168 3.4195 3.4263 3.5770 3.5855 3.6435 3.6466 6.9826 6.9973 8.2749 8.2980 9.2981 9.2996 11.6929 11.6937 k = 0.2500-0.1600 0.2177 ( 8305 PWs) bands (ev): -40.8672 -40.8672 -14.3814 -14.3795 -13.4566 -13.4486 -12.4567 -12.4564 -12.3604 -12.3536 -3.7480 -3.7458 -2.2694 -2.2453 -1.1745 -1.1422 -0.5552 -0.5543 0.4346 0.4348 0.8945 0.8962 2.1142 2.1205 3.0949 3.1037 3.2509 3.2630 3.3863 3.3934 3.5981 3.6016 3.6500 3.6581 6.9835 6.9989 8.4055 8.4271 9.1738 9.1749 11.7005 11.7013 k = 0.2600-0.1664 0.2264 ( 8301 PWs) bands (ev): -40.8671 -40.8671 -14.3555 -14.3536 -13.4688 -13.4606 -12.4615 -12.4611 -12.3802 -12.3734 -3.7222 -3.7201 -2.3173 -2.2932 -1.1695 -1.1369 -0.5748 -0.5738 0.4327 0.4328 0.9293 0.9311 2.1728 2.1785 3.0460 3.0547 3.2956 3.3077 3.3522 3.3597 3.6021 3.6023 3.6736 3.6851 6.9783 6.9945 8.5378 8.5574 9.0545 9.0545 11.7074 11.7081 k = 0.2700-0.1728 0.2351 ( 8301 PWs) bands (ev): -40.8671 -40.8671 -14.3292 -14.3271 -13.4806 -13.4724 -12.4663 -12.4658 -12.4007 -12.3939 -3.6996 -3.6976 -2.3621 -2.3380 -1.1603 -1.1274 -0.5951 -0.5940 0.4329 0.4330 0.9648 0.9667 2.2297 2.2347 2.9981 3.0069 3.3173 3.3242 3.3396 3.3505 3.5978 3.5989 3.7050 3.7176 6.9670 6.9841 8.6683 8.6837 8.9421 8.9453 11.7135 11.7142 k = 0.2800-0.1792 0.2439 ( 8298 PWs) bands (ev): -40.8671 -40.8671 -14.3025 -14.3003 -13.4920 -13.4837 -12.4711 -12.4705 -12.4219 -12.4152 -3.6806 -3.6787 -2.4037 -2.3797 -1.1469 -1.1138 -0.6160 -0.6149 0.4352 0.4352 1.0010 1.0030 2.2846 2.2890 2.9515 2.9603 3.2817 3.2896 3.3792 3.3902 3.5933 3.5953 3.7381 3.7510 6.9495 6.9676 8.7616 8.7629 8.8717 8.8910 11.7187 11.7194 k = 0.2900-0.1856 0.2526 ( 8298 PWs) bands (ev): -40.8671 -40.8671 -14.2754 -14.2732 -13.5029 -13.4945 -12.4760 -12.4751 -12.4436 -12.4373 -3.6652 -3.6635 -2.4418 -2.4182 -1.1292 -1.0961 -0.6372 -0.6361 0.4391 0.4391 1.0378 1.0399 2.3370 2.3408 2.9065 2.9152 3.2458 3.2540 3.4154 3.4254 3.5912 3.5946 3.7710 3.7842 6.9257 6.9449 8.6962 8.7004 8.9650 8.9866 11.7231 11.7238 k = 0.3000-0.1919 0.2613 ( 8294 PWs) bands (ev): -40.8671 -40.8671 -14.2483 -14.2460 -13.5131 -13.5047 -12.4815 -12.4797 -12.4653 -12.4599 -3.6536 -3.6520 -2.4766 -2.4533 -1.1073 -1.0744 -0.6586 -0.6574 0.4446 0.4446 1.0753 1.0774 2.3865 2.3897 2.8633 2.8720 3.2095 3.2182 3.4450 3.4530 3.5945 3.6000 3.8032 3.8167 6.8953 6.9157 8.6048 8.6070 9.0960 9.1152 11.7266 11.7273 k = 0.3100-0.1983 0.2700 ( 8304 PWs) bands (ev): -40.8671 -40.8671 -14.2211 -14.2187 -13.5226 -13.5142 -12.4932 -12.4845 -12.4828 -12.4812 -3.6456 -3.6442 -2.5080 -2.4853 -1.0814 -1.0488 -0.6800 -0.6786 0.4513 0.4514 1.1133 1.1155 2.4322 2.4351 2.8225 2.8310 3.1734 3.1823 3.4648 3.4704 3.6064 3.6146 3.8344 3.8480 6.8584 6.8799 8.5172 8.5180 9.2298 9.2471 11.7293 11.7299 k = 0.3200-0.2047 0.2787 ( 8294 PWs) bands (ev): -40.8671 -40.8671 -14.1940 -14.1915 -13.5314 -13.5229 -12.5151 -12.5071 -12.4884 -12.4875 -3.6411 -3.6399 -2.5361 -2.5142 -1.0519 -1.0196 -0.7012 -0.6996 0.4591 0.4592 1.1518 1.1541 2.4732 2.4759 2.7849 2.7930 3.1376 3.1469 3.4740 3.4773 3.6280 3.6385 3.8644 3.8781 6.8149 6.8375 8.4366 8.4371 9.3631 9.3788 11.7312 11.7318 k = 0.3300-0.2111 0.2874 ( 8306 PWs) bands (ev): -40.8671 -40.8671 -14.1671 -14.1646 -13.5393 -13.5308 -12.5389 -12.5314 -12.4926 -12.4921 -3.6399 -3.6389 -2.5612 -2.5401 -1.0190 -0.9871 -0.7220 -0.7202 0.4677 0.4678 1.1909 1.1931 2.5076 2.5103 2.7520 2.7593 3.1028 3.1122 3.4750 3.4770 3.6566 3.6686 3.8929 3.9068 6.7651 6.7887 8.3638 8.3653 9.4949 9.5091 11.7323 11.7328 k = 0.3400-0.2175 0.2961 ( 8304 PWs) bands (ev): -40.8671 -40.8671 -14.1407 -14.1381 -13.5461 -13.5376 -12.5633 -12.5561 -12.4966 -12.4963 -3.6417 -3.6408 -2.5835 -2.5633 -0.9832 -0.9518 -0.7423 -0.7401 0.4770 0.4771 1.2303 1.2325 2.5320 2.5355 2.7264 2.7323 3.0694 3.0790 3.4712 3.4724 3.6889 3.7018 3.9199 3.9340 6.7098 6.7341 8.2996 8.3020 9.6246 9.6375 11.7327 11.7332 k = 0.3500-0.2239 0.3048 ( 8302 PWs) bands (ev): -40.8671 -40.8671 -14.1149 -14.1122 -13.5519 -13.5434 -12.5880 -12.5810 -12.5005 -12.5003 -3.6459 -3.6453 -2.6031 -2.5840 -0.9451 -0.9140 -0.7618 -0.7590 0.4867 0.4868 1.2701 1.2723 2.5422 2.5474 2.7117 2.7153 3.0384 3.0479 3.4649 3.4656 3.7227 3.7362 3.9453 3.9594 6.6497 6.6744 8.2440 8.2471 9.7518 9.7633 11.7325 11.7329 k = 0.3600-0.2303 0.3135 ( 8308 PWs) bands (ev): -40.8670 -40.8670 -14.0899 -14.0872 -13.5564 -13.5481 -12.6129 -12.6062 -12.5042 -12.5040 -3.6523 -3.6518 -2.6204 -2.6024 -0.9056 -0.8745 -0.7806 -0.7766 0.4966 0.4968 1.3101 1.3122 2.5365 2.5436 2.7088 2.7096 3.0109 3.0203 3.4572 3.4577 3.7567 3.7705 3.9689 3.9831 6.5859 6.6108 8.1964 8.2001 9.8761 9.8863 11.7317 11.7320 k = 0.3700-0.2367 0.3222 ( 8316 PWs) bands (ev): -40.8670 -40.8670 -14.0659 -14.0631 -13.5597 -13.5514 -12.6379 -12.6313 -12.5077 -12.5076 -3.6602 -3.6600 -2.6355 -2.6188 -0.8666 -0.8338 -0.7983 -0.7914 0.5067 0.5069 1.3502 1.3522 2.5187 2.5272 2.7107 2.7122 2.9885 2.9974 3.4489 3.4493 3.7902 3.8042 3.9907 4.0050 6.5196 6.5444 8.1561 8.1602 9.9972 10.0060 11.7304 11.7306 k = 0.3800-0.2431 0.3309 ( 8320 PWs) bands (ev): -40.8670 -40.8670 -14.0431 -14.0404 -13.5615 -13.5534 -12.6627 -12.6564 -12.5110 -12.5109 -3.6694 -3.6693 -2.6487 -2.6333 -0.8377 -0.8161 -0.7942 -0.7914 0.5167 0.5169 1.3903 1.3922 2.4947 2.5039 2.7115 2.7150 2.9728 2.9809 3.4404 3.4407 3.8227 3.8369 4.0105 4.0250 6.4523 6.4766 8.1225 8.1268 10.1146 10.1221 11.7287 11.7288 k = 0.3900-0.2495 0.3397 ( 8316 PWs) bands (ev): -40.8670 -40.8670 -14.0218 -14.0191 -13.5619 -13.5540 -12.6872 -12.6811 -12.5141 -12.5140 -3.6794 -3.6794 -2.6603 -2.6461 -0.8384 -0.8316 -0.7664 -0.7502 0.5264 0.5266 1.4301 1.4319 2.4680 2.4775 2.7075 2.7126 2.9647 2.9718 3.4320 3.4322 3.8539 3.8682 4.0285 4.0429 6.3851 6.4087 8.0946 8.0989 10.2282 10.2345 11.7261 11.7268 k = 0.4000-0.2559 0.3484 ( 8320 PWs) bands (ev): -40.8670 -40.8670 -14.0021 -13.9995 -13.5608 -13.5532 -12.7112 -12.7054 -12.5170 -12.5169 -3.6899 -3.6897 -2.6704 -2.6575 -0.8497 -0.8462 -0.7272 -0.7094 0.5358 0.5360 1.4695 1.4711 2.4405 2.4501 2.6973 2.7037 2.9637 2.9698 3.4239 3.4241 3.8836 3.8981 4.0443 4.0589 6.3195 6.3420 8.0717 8.0759 10.3377 10.3428 11.7002 11.7246 k = 0.4100-0.2623 0.3571 ( 8328 PWs) bands (ev): -40.8670 -40.8670 -13.9843 -13.9817 -13.5583 -13.5511 -12.7344 -12.7289 -12.5196 -12.5195 -3.7003 -3.7001 -2.6791 -2.6676 -0.8619 -0.8597 -0.6873 -0.6700 0.5447 0.5449 1.5082 1.5097 2.4132 2.4226 2.6821 2.6894 2.9681 2.9732 3.4162 3.4163 3.9117 3.9262 4.0582 4.0727 6.2566 6.2778 8.0530 8.0570 10.4429 10.4469 11.6619 11.6638 k = 0.4200-0.2687 0.3658 ( 8320 PWs) bands (ev): -40.8670 -40.8670 -13.9684 -13.9660 -13.5546 -13.5478 -12.7565 -12.7514 -12.5220 -12.5219 -3.7105 -3.7101 -2.6867 -2.6764 -0.8734 -0.8719 -0.6486 -0.6325 0.5531 0.5532 1.5459 1.5471 2.3866 2.3957 2.6638 2.6715 2.9756 2.9801 3.4090 3.4091 3.9379 3.9524 4.0699 4.0844 6.1975 6.2171 8.0378 8.0416 10.5437 10.5466 11.6215 11.6224 k = 0.4300-0.2751 0.3745 ( 8320 PWs) bands (ev): -40.8670 -40.8670 -13.9545 -13.9523 -13.5497 -13.5434 -12.7773 -12.7726 -12.5241 -12.5240 -3.7200 -3.7196 -2.6930 -2.6841 -0.8839 -0.8827 -0.6123 -0.5978 0.5606 0.5608 1.5821 1.5831 2.3610 2.3696 2.6445 2.6521 2.9847 2.9885 3.4025 3.4025 3.9622 3.9766 4.0795 4.0939 6.1432 6.1610 8.0257 8.0291 10.6398 10.6417 11.5789 11.5791 k = 0.4400-0.2815 0.3832 ( 8316 PWs) bands (ev): -40.8670 -40.8670 -13.9427 -13.9407 -13.5440 -13.5385 -12.7963 -12.7922 -12.5259 -12.5259 -3.7287 -3.7283 -2.6984 -2.6907 -0.8931 -0.8922 -0.5791 -0.5663 0.5674 0.5676 1.6162 1.6171 2.3368 2.3447 2.6255 2.6328 2.9939 2.9971 3.3967 3.3967 3.9845 3.9987 4.0870 4.1012 6.0947 6.1104 8.0161 8.0191 10.7312 10.7323 11.5339 11.5344 k = 0.4500-0.2879 0.3919 ( 8330 PWs) bands (ev): -40.8670 -40.8670 -13.9328 -13.9311 -13.5380 -13.5332 -12.8134 -12.8098 -12.5275 -12.5275 -3.7363 -3.7360 -2.7027 -2.6964 -0.9010 -0.9003 -0.5496 -0.5388 0.5733 0.5734 1.6477 1.6484 2.3145 2.3215 2.6082 2.6147 3.0024 3.0052 3.3916 3.3917 4.0046 4.0185 4.0924 4.1064 6.0526 6.0660 8.0086 8.0112 10.8178 10.8181 11.4867 11.4878 k = 0.4600-0.2943 0.4006 ( 8340 PWs) bands (ev): -40.8670 -40.8670 -13.9250 -13.9236 -13.5321 -13.5281 -12.8279 -12.8249 -12.5288 -12.5288 -3.7428 -3.7425 -2.7061 -2.7011 -0.9075 -0.9070 -0.5245 -0.5157 0.5782 0.5783 1.6757 1.6761 2.2946 2.3005 2.5932 2.5988 3.0098 3.0121 3.3874 3.3874 4.0224 4.0358 4.0959 4.1094 6.0176 6.0285 8.0030 8.0051 10.8989 10.8993 11.4377 11.4392 k = 0.4700-0.3007 0.4093 ( 8328 PWs) bands (ev): -40.8670 -40.8670 -13.9189 -13.9179 -13.5267 -13.5236 -12.8396 -12.8373 -12.5298 -12.5298 -3.7479 -3.7477 -2.7086 -2.7048 -0.9126 -0.9122 -0.5042 -0.4975 0.5821 0.5822 1.6991 1.6994 2.2779 2.2825 2.5813 2.5856 3.0159 3.0176 3.3841 3.3841 4.0377 4.0501 4.0979 4.1102 5.9902 5.9985 7.9989 8.0005 10.9744 10.9753 11.3871 11.3889 k = 0.4800-0.3071 0.4180 ( 8324 PWs) bands (ev): -40.8670 -40.8670 -13.9147 -13.9140 -13.5223 -13.5202 -12.8482 -12.8466 -12.5305 -12.5305 -3.7516 -3.7515 -2.7102 -2.7077 -0.9162 -0.9160 -0.4890 -0.4845 0.5849 0.5850 1.7170 1.7172 2.2652 2.2684 2.5727 2.5757 3.0203 3.0215 3.3817 3.3817 4.0504 4.0607 4.0989 4.1092 5.9707 5.9764 7.9962 7.9972 11.0432 11.0445 11.3362 11.3380 k = 0.4900-0.3135 0.4267 ( 8324 PWs) bands (ev): -40.8670 -40.8670 -13.9121 -13.9117 -13.5193 -13.5182 -12.8532 -12.8524 -12.5310 -12.5310 -3.7539 -3.7538 -2.7109 -2.7096 -0.9184 -0.9183 -0.4794 -0.4771 0.5866 0.5867 1.7283 1.7283 2.2575 2.2591 2.5678 2.5693 3.0232 3.0237 3.3803 3.3803 4.0600 4.0662 4.1004 4.1066 5.9595 5.9624 7.9947 7.9952 11.1010 11.1022 11.2895 11.2910 k = 0.5000-0.3199 0.4355 ( 8328 PWs) bands (ev): -40.8670 -40.8670 -13.9111 -13.9111 -13.5179 -13.5179 -12.8547 -12.8547 -12.5311 -12.5311 -3.7546 -3.7546 -2.7107 -2.7107 -0.9191 -0.9191 -0.4754 -0.4754 0.5872 0.5872 1.7321 1.7321 2.2554 2.2554 2.5667 2.5667 3.0243 3.0243 3.3798 3.3798 4.0657 4.0657 4.1032 4.1032 5.9567 5.9567 7.9944 7.9944 11.1291 11.1291 11.2665 11.2665 k = 0.5000-0.3199 0.4355 ( 8328 PWs) bands (ev): -40.8670 -40.8670 -13.9111 -13.9111 -13.5179 -13.5179 -12.8547 -12.8547 -12.5311 -12.5311 -3.7546 -3.7546 -2.7107 -2.7107 -0.9191 -0.9191 -0.4754 -0.4754 0.5872 0.5872 1.7321 1.7321 2.2554 2.2554 2.5667 2.5667 3.0243 3.0243 3.3798 3.3798 4.0657 4.0657 4.1032 4.1032 5.9567 5.9567 7.9944 7.9944 11.1291 11.1291 11.2665 11.2665 k = 0.5000-0.3084 0.4439 ( 8316 PWs) bands (ev): -40.8670 -40.8670 -13.9115 -13.9115 -13.5177 -13.5177 -12.8546 -12.8543 -12.5313 -12.5309 -3.7547 -3.7547 -2.7105 -2.7092 -0.9184 -0.9174 -0.4756 -0.4755 0.5846 0.5867 1.7319 1.7324 2.2552 2.2563 2.5641 2.5653 3.0234 3.0236 3.3810 3.3819 4.0652 4.0653 4.1018 4.1018 5.9593 5.9601 7.9963 7.9966 11.1245 11.1249 11.2663 11.2663 k = 0.5000-0.2968 0.4524 ( 8314 PWs) bands (ev): -40.8670 -40.8670 -13.9128 -13.9126 -13.5172 -13.5172 -12.8542 -12.8536 -12.5314 -12.5306 -3.7550 -3.7549 -2.7085 -2.7059 -0.9152 -0.9133 -0.4761 -0.4761 0.5789 0.5831 1.7318 1.7326 2.2557 2.2581 2.5576 2.5600 3.0209 3.0213 3.3856 3.3873 4.0637 4.0641 4.0975 4.0975 5.9679 5.9695 8.0023 8.0028 11.1114 11.1121 11.2657 11.2658 k = 0.5000-0.2852 0.4609 ( 8318 PWs) bands (ev): -40.8670 -40.8670 -13.9148 -13.9146 -13.5165 -13.5165 -12.8533 -12.8524 -12.5315 -12.5303 -3.7555 -3.7554 -2.7047 -2.7008 -0.9096 -0.9068 -0.4770 -0.4770 0.5703 0.5765 1.7316 1.7329 2.2571 2.2606 2.5473 2.5509 3.0169 3.0175 3.3934 3.3958 4.0612 4.0619 4.0905 4.0907 5.9823 5.9846 8.0124 8.0132 11.0904 11.0912 11.2648 11.2649 k = 0.5000-0.2737 0.4694 ( 8326 PWs) bands (ev): -40.8670 -40.8670 -13.9176 -13.9174 -13.5154 -13.5154 -12.8520 -12.8508 -12.5315 -12.5299 -3.7564 -3.7562 -2.6991 -2.6939 -0.9017 -0.8979 -0.4783 -0.4782 0.5588 0.5669 1.7314 1.7331 2.2591 2.2637 2.5336 2.5383 3.0113 3.0121 3.4042 3.4073 4.0574 4.0586 4.0811 4.0816 6.0023 6.0053 8.0265 8.0276 11.0621 11.0629 11.2634 11.2635 k = 0.5000-0.2621 0.4779 ( 8330 PWs) bands (ev): -40.8670 -40.8670 -13.9213 -13.9210 -13.5140 -13.5140 -12.8503 -12.8489 -12.5314 -12.5295 -3.7577 -3.7575 -2.6914 -2.6850 -0.8914 -0.8867 -0.4799 -0.4798 0.5446 0.5545 1.7312 1.7333 2.2619 2.2674 2.5167 2.5224 3.0042 3.0052 3.4177 3.4214 4.0517 4.0538 4.0698 4.0710 6.0275 6.0312 8.0445 8.0459 11.0275 11.0282 11.2616 11.2617 k = 0.5000-0.2506 0.4864 ( 8330 PWs) bands (ev): -40.8670 -40.8670 -13.9256 -13.9253 -13.5123 -13.5123 -12.8482 -12.8465 -12.5314 -12.5290 -3.7596 -3.7593 -2.6815 -2.6739 -0.8787 -0.8731 -0.4818 -0.4818 0.5281 0.5397 1.7309 1.7335 2.2652 2.2717 2.4970 2.5036 2.9955 2.9967 3.4336 3.4379 4.0427 4.0458 4.0588 4.0608 6.0576 6.0619 8.0665 8.0682 10.9872 10.9876 11.2592 11.2593 k = 0.5000-0.2390 0.4949 ( 8330 PWs) bands (ev): -40.8670 -40.8670 -13.9307 -13.9303 -13.5104 -13.5104 -12.8457 -12.8437 -12.5313 -12.5285 -3.7623 -3.7619 -2.6693 -2.6606 -0.8637 -0.8572 -0.4841 -0.4840 0.5094 0.5225 1.7304 1.7335 2.2690 2.2763 2.4749 2.4824 2.9853 2.9866 3.4517 3.4564 4.0289 4.0321 4.0505 4.0525 6.0921 6.0970 8.0924 8.0943 10.9420 10.9420 11.2561 11.2563 k = 0.5000-0.2274 0.5034 ( 8340 PWs) bands (ev): -40.8670 -40.8670 -13.9365 -13.9361 -13.5081 -13.5081 -12.8428 -12.8406 -12.5311 -12.5280 -3.7659 -3.7655 -2.6546 -2.6448 -0.8465 -0.8391 -0.4867 -0.4867 0.4888 0.5033 1.7298 1.7334 2.2732 2.2813 2.4507 2.4590 2.9735 2.9750 3.4717 3.4768 4.0114 4.0144 4.0436 4.0452 6.1305 6.1359 8.1220 8.1242 10.8919 10.8924 11.2523 11.2525 k = 0.5000-0.2159 0.5119 ( 8340 PWs) bands (ev): -40.8670 -40.8670 -13.9431 -13.9425 -13.5056 -13.5056 -12.8395 -12.8370 -12.5310 -12.5276 -3.7707 -3.7702 -2.6372 -2.6265 -0.8271 -0.8187 -0.4896 -0.4896 0.4667 0.4823 1.7289 1.7330 2.2777 2.2866 2.4248 2.4338 2.9602 2.9619 3.4932 3.4986 3.9915 3.9944 4.0367 4.0380 6.1725 6.1783 8.1551 8.1576 10.8378 10.8388 11.2477 11.2479 k = 0.5000-0.2043 0.5204 ( 8344 PWs) bands (ev): -40.8670 -40.8670 -13.9502 -13.9497 -13.5028 -13.5028 -12.8358 -12.8330 -12.5308 -12.5271 -3.7768 -3.7762 -2.6170 -2.6053 -0.8055 -0.7963 -0.4928 -0.4928 0.4433 0.4599 1.7276 1.7323 2.2825 2.2919 2.3976 2.4073 2.9454 2.9473 3.5161 3.5218 3.9698 3.9726 4.0294 4.0305 6.2174 6.2237 8.1917 8.1944 10.7800 10.7818 11.2421 11.2424 k = 0.5000-0.1928 0.5289 ( 8332 PWs) bands (ev): -40.8670 -40.8670 -13.9580 -13.9574 -13.4997 -13.4997 -12.8316 -12.8286 -12.5307 -12.5266 -3.7844 -3.7837 -2.5937 -2.5812 -0.7819 -0.7717 -0.4963 -0.4963 0.4189 0.4363 1.7260 1.7311 2.2873 2.2973 2.3694 2.3797 2.9292 2.9311 3.5402 3.5461 3.9465 3.9494 4.0216 4.0225 6.2648 6.2715 8.2315 8.2345 10.7191 10.7215 11.2354 11.2357 k = 0.5000-0.1812 0.5374 ( 8326 PWs) bands (ev): -40.8670 -40.8670 -13.9664 -13.9657 -13.4964 -13.4964 -12.8271 -12.8239 -12.5305 -12.5262 -3.7937 -3.7929 -2.5673 -2.5540 -0.7563 -0.7452 -0.5001 -0.5000 0.3939 0.4118 1.7237 1.7294 2.2920 2.3027 2.3408 2.3515 2.9114 2.9135 3.5653 3.5712 3.9221 3.9251 4.0133 4.0142 6.3144 6.3213 8.2743 8.2775 10.6552 10.6584 11.2276 11.2279 k = 0.5000-0.1696 0.5459 ( 8320 PWs) bands (ev): -40.8670 -40.8670 -13.9753 -13.9746 -13.4929 -13.4929 -12.8222 -12.8188 -12.5304 -12.5258 -3.8047 -3.8038 -2.5375 -2.5235 -0.7288 -0.7167 -0.5041 -0.5040 0.3685 0.3868 1.7207 1.7270 2.2950 2.3072 2.3136 2.3237 2.8921 2.8944 3.5912 3.5972 3.8965 3.8997 4.0045 4.0053 6.3655 6.3727 8.3197 8.3231 10.5887 10.5928 11.2184 11.2188 k = 0.5000-0.1581 0.5544 ( 8318 PWs) bands (ev): -40.8670 -40.8670 -13.9847 -13.9840 -13.4891 -13.4891 -12.8169 -12.8132 -12.5304 -12.5255 -3.8177 -3.8166 -2.5044 -2.4898 -0.6995 -0.6864 -0.5083 -0.5081 0.3430 0.3615 1.7168 1.7237 2.2793 2.2929 2.3051 2.3147 2.8714 2.8738 3.6177 3.6238 3.8701 3.8734 3.9953 3.9960 6.4179 6.4253 8.3675 8.3710 10.5199 10.5248 11.2079 11.2082 k = 0.5000-0.1465 0.5628 ( 8318 PWs) bands (ev): -40.8670 -40.8670 -13.9946 -13.9938 -13.4852 -13.4852 -12.8112 -12.8074 -12.5303 -12.5252 -3.8325 -3.8313 -2.4678 -2.4526 -0.6685 -0.6544 -0.5127 -0.5123 0.3176 0.3361 1.7119 1.7193 2.2516 2.2651 2.3089 2.3192 2.8492 2.8517 3.6449 3.6510 3.8428 3.8463 3.9856 3.9863 6.4712 6.4788 8.4172 8.4208 10.4490 10.4549 11.1958 11.1962 k = 0.5000-0.1350 0.5713 ( 8314 PWs) bands (ev): -40.8670 -40.8670 -14.0049 -14.0041 -13.4810 -13.4810 -12.8052 -12.8012 -12.5304 -12.5250 -3.8493 -3.8480 -2.4278 -2.4121 -0.6361 -0.6208 -0.5173 -0.5166 0.2927 0.3110 1.7057 1.7137 2.2238 2.2376 2.3133 2.3240 2.8256 2.8282 3.6725 3.6786 3.8149 3.8186 3.9756 3.9762 6.5250 6.5327 8.4684 8.4719 10.3765 10.3834 11.1821 11.1825 k = 0.5000-0.1234 0.5798 ( 8310 PWs) bands (ev): -40.8670 -40.8670 -14.0156 -14.0148 -13.4766 -13.4766 -12.7988 -12.7946 -12.5304 -12.5249 -3.8680 -3.8665 -2.3843 -2.3682 -0.6027 -0.5859 -0.5217 -0.5204 0.2683 0.2862 1.6980 1.7065 2.1969 2.2111 2.3177 2.3286 2.8005 2.8033 3.7005 3.7066 3.7864 3.7903 3.9653 3.9659 6.5791 6.5869 8.5206 8.5239 10.3026 10.3105 11.1667 11.1671 k = 0.5000-0.1118 0.5883 ( 8310 PWs) bands (ev): -40.8670 -40.8670 -14.0266 -14.0257 -13.4721 -13.4721 -12.7921 -12.7878 -12.5306 -12.5249 -3.8886 -3.8870 -2.3373 -2.3209 -0.5700 -0.5514 -0.5244 -0.5224 0.2448 0.2621 1.6887 1.6975 2.1715 2.1859 2.3220 2.3329 2.7741 2.7769 3.7288 3.7348 3.7574 3.7615 3.9547 3.9552 6.6331 6.6410 8.5730 8.5761 10.2277 10.2367 11.1496 11.1500 k = 0.5000-0.1003 0.5968 ( 8312 PWs) bands (ev): -40.8670 -40.8670 -14.0378 -14.0370 -13.4675 -13.4674 -12.7851 -12.7806 -12.5308 -12.5249 -3.9110 -3.9093 -2.2870 -2.2703 -0.5471 -0.5367 -0.5134 -0.5061 0.2223 0.2388 1.6774 1.6865 2.1479 2.1625 2.3259 2.3369 2.7462 2.7492 3.7278 3.7322 3.7574 3.7632 3.9439 3.9444 6.6868 6.6947 8.6252 8.6278 10.1522 10.1623 11.1307 11.1312 k = 0.5000-0.0887 0.6053 ( 8312 PWs) bands (ev): -40.8670 -40.8670 -14.0493 -14.0485 -13.4627 -13.4626 -12.7779 -12.7732 -12.5310 -12.5250 -3.9351 -3.9333 -2.2334 -2.2164 -0.5444 -0.5401 -0.4832 -0.4686 0.2010 0.2165 1.6640 1.6733 2.1264 2.1410 2.3295 2.3405 2.7171 2.7201 3.6979 3.7026 3.7860 3.7918 3.9330 3.9334 6.7400 6.7480 8.6763 8.6782 10.0766 10.0878 11.1100 11.1105 k = 0.5000-0.0772 0.6138 ( 8314 PWs) bands (ev): -40.8670 -40.8669 -14.0610 -14.0602 -13.4577 -13.4577 -12.7703 -12.7655 -12.5314 -12.5252 -3.9608 -3.9590 -2.1766 -2.1593 -0.5479 -0.5452 -0.4459 -0.4286 0.1810 0.1953 1.6485 1.6579 2.1072 2.1217 2.3327 2.3437 2.6866 2.6897 3.6677 3.6727 3.8147 3.8203 3.9220 3.9223 6.7925 6.8005 8.7254 8.7265 10.0013 10.0139 11.0875 11.0880 k = 0.5000-0.0656 0.6223 ( 8308 PWs) bands (ev): -40.8669 -40.8669 -14.0729 -14.0720 -13.4527 -13.4527 -12.7626 -12.7576 -12.5318 -12.5255 -3.9879 -3.9861 -2.1166 -2.0992 -0.5527 -0.5506 -0.4068 -0.3874 0.1626 0.1754 1.6309 1.6401 2.0905 2.1047 2.3355 2.3464 2.6549 2.6581 3.6373 3.6425 3.8432 3.8485 3.9114 3.9114 6.8440 6.8520 8.7716 8.7717 9.9271 9.9410 11.0633 11.0638 k = 0.5000-0.0656 0.6223 ( 8308 PWs) bands (ev): -40.8669 -40.8669 -14.0729 -14.0720 -13.4527 -13.4527 -12.7626 -12.7576 -12.5318 -12.5255 -3.9879 -3.9861 -2.1166 -2.0992 -0.5527 -0.5506 -0.4068 -0.3874 0.1626 0.1754 1.6309 1.6401 2.0905 2.1047 2.3355 2.3464 2.6549 2.6581 3.6373 3.6425 3.8432 3.8485 3.9114 3.9114 6.8440 6.8520 8.7716 8.7717 9.9271 9.9410 11.0633 11.0638 k = 0.4928-0.0525 0.6223 ( 8305 PWs) bands (ev): -40.8669 -40.8669 -14.0816 -14.0808 -13.4497 -13.4494 -12.7562 -12.7511 -12.5321 -12.5257 -4.0079 -4.0060 -2.0710 -2.0535 -0.5619 -0.5592 -0.3751 -0.3538 0.1514 0.1630 1.6163 1.6254 2.0787 2.0926 2.3389 2.3496 2.6301 2.6334 3.6150 3.6204 3.8637 3.8682 3.9041 3.9047 6.8828 6.8910 8.8021 8.8034 9.8728 9.8878 11.0439 11.0452 k = 0.4857-0.0395 0.6223 ( 8301 PWs) bands (ev): -40.8669 -40.8669 -14.0903 -14.0895 -13.4477 -13.4472 -12.7486 -12.7434 -12.5323 -12.5259 -4.0270 -4.0250 -2.0245 -2.0070 -0.5804 -0.5754 -0.3404 -0.3164 0.1438 0.1550 1.6005 1.6095 2.0664 2.0796 2.3452 2.3554 2.6029 2.6065 3.5932 3.5989 3.8809 3.8827 3.9005 3.9037 6.9243 6.9327 8.8301 8.8326 9.8183 9.8344 11.0232 11.0257 k = 0.4785-0.0264 0.6223 ( 8289 PWs) bands (ev): -40.8669 -40.8669 -14.0988 -14.0980 -13.4467 -13.4459 -12.7400 -12.7347 -12.5325 -12.5260 -4.0450 -4.0430 -1.9776 -1.9601 -0.6059 -0.5979 -0.3052 -0.2778 0.1406 0.1523 1.5838 1.5927 2.0534 2.0660 2.3537 2.3634 2.5735 2.5774 3.5721 3.5781 3.8825 3.8831 3.9123 3.9179 6.9682 6.9769 8.8549 8.8589 9.7643 9.7815 11.0018 11.0055 k = 0.4714-0.0133 0.6223 ( 8296 PWs) bands (ev): -40.8669 -40.8669 -14.1072 -14.1063 -13.4465 -13.4456 -12.7306 -12.7252 -12.5326 -12.5261 -4.0618 -4.0597 -1.9304 -1.9130 -0.6367 -0.6255 -0.2714 -0.2400 0.1429 0.1560 1.5666 1.5753 2.0402 2.0520 2.3638 2.3729 2.5418 2.5463 3.5517 3.5579 3.8771 3.8779 3.9320 3.9378 7.0145 7.0235 8.8761 8.8817 9.7114 9.7296 10.9799 10.9849 k = 0.4642-0.0002 0.6223 ( 8296 PWs) bands (ev): -40.8669 -40.8669 -14.1152 -14.1144 -13.4471 -13.4461 -12.7206 -12.7150 -12.5328 -12.5262 -4.0773 -4.0752 -1.8836 -1.8665 -0.6716 -0.6573 -0.2406 -0.2050 0.1518 0.1669 1.5491 1.5576 2.0267 2.0378 2.3750 2.3835 2.5082 2.5132 3.5320 3.5386 3.8715 3.8723 3.9526 3.9584 7.0628 7.0722 8.8932 8.9006 9.6603 9.6796 10.9576 10.9639 k = 0.4570 0.0128 0.6223 ( 8299 PWs) bands (ev): -40.8669 -40.8669 -14.1229 -14.1222 -13.4484 -13.4472 -12.7102 -12.7045 -12.5329 -12.5262 -4.0914 -4.0892 -1.8377 -1.8210 -0.7094 -0.6922 -0.2138 -0.1746 0.1684 0.1857 1.5315 1.5399 2.0132 2.0235 2.3869 2.3947 2.4728 2.4783 3.5133 3.5202 3.8663 3.8671 3.9732 3.9790 7.1131 7.1229 8.9056 8.9149 9.6119 9.6321 10.9353 10.9428 k = 0.4499 0.0259 0.6223 ( 8303 PWs) bands (ev): -40.8669 -40.8669 -14.1303 -14.1295 -13.4502 -13.4490 -12.6995 -12.6937 -12.5330 -12.5263 -4.1039 -4.1017 -1.7936 -1.7775 -0.7488 -0.7288 -0.1920 -0.1498 0.1937 0.2123 1.5140 1.5223 1.9996 2.0091 2.3989 2.4063 2.4361 2.4420 3.4954 3.5025 3.8618 3.8627 3.9935 3.9992 7.1650 7.1751 8.9128 8.9241 9.5671 9.5879 10.9130 10.9217 k = 0.4427 0.0390 0.6223 ( 8307 PWs) bands (ev): -40.8669 -40.8669 -14.1372 -14.1365 -13.4525 -13.4512 -12.6887 -12.6828 -12.5330 -12.5264 -4.1149 -4.1125 -1.7524 -1.7371 -0.7881 -0.7656 -0.1751 -0.1311 0.2273 0.2465 1.4967 1.5050 1.9859 1.9948 2.3964 2.4038 2.4127 2.4187 3.4784 3.4858 3.8580 3.8590 4.0132 4.0190 7.2183 7.2287 8.9144 8.9276 9.5265 9.5477 10.8907 10.9006 k = 0.4356 0.0520 0.6223 ( 8309 PWs) bands (ev): -40.8669 -40.8669 -14.1436 -14.1429 -13.4550 -13.4538 -12.6781 -12.6720 -12.5331 -12.5265 -4.1241 -4.1217 -1.7155 -1.7014 -0.8255 -0.8008 -0.1628 -0.1179 0.2684 0.2872 1.4798 1.4880 1.9721 1.9802 2.3585 2.3660 2.4240 2.4300 3.4623 3.4699 3.8549 3.8560 4.0323 4.0382 7.2726 7.2832 8.9102 8.9250 9.4911 9.5121 10.8684 10.8795 k = 0.4284 0.0651 0.6223 ( 8302 PWs) bands (ev): -40.8669 -40.8669 -14.1496 -14.1489 -13.4579 -13.4566 -12.6676 -12.6615 -12.5332 -12.5266 -4.1315 -4.1290 -1.6848 -1.6723 -0.8585 -0.8320 -0.1543 -0.1093 0.3154 0.3332 1.4633 1.4714 1.9579 1.9653 2.3199 2.3278 2.4357 2.4412 3.4471 3.4548 3.8525 3.8538 4.0507 4.0566 7.3277 7.3384 8.9001 8.9164 9.4614 9.4816 10.8459 10.8581 k = 0.4212 0.0782 0.6223 ( 8298 PWs) bands (ev): -40.8669 -40.8669 -14.1550 -14.1543 -13.4608 -13.4596 -12.6576 -12.6514 -12.5334 -12.5267 -4.1370 -4.1345 -1.6626 -1.6522 -0.8847 -0.8568 -0.1489 -0.1043 0.3668 0.3835 1.4474 1.4554 1.9429 1.9494 2.2822 2.2904 2.4469 2.4521 3.4326 3.4404 3.8508 3.8523 4.0681 4.0741 7.3830 7.3937 8.8846 8.9021 9.4376 9.4563 10.8231 10.8365 k = 0.4141 0.0912 0.6223 ( 8303 PWs) bands (ev): -40.8669 -40.8669 -14.1598 -14.1592 -13.4639 -13.4627 -12.6480 -12.6418 -12.5335 -12.5270 -4.1405 -4.1380 -1.6512 -1.6432 -0.9014 -0.8725 -0.1460 -0.1019 0.4213 0.4367 1.4321 1.4401 1.9268 1.9323 2.2462 2.2546 2.4575 2.4623 3.4189 3.4267 3.8498 3.8515 4.0846 4.0907 7.4380 7.4485 8.8645 8.8831 9.4195 9.4362 10.7997 10.8141 k = 0.4069 0.1043 0.6223 ( 8290 PWs) bands (ev): -40.8669 -40.8669 -14.1640 -14.1634 -13.4669 -13.4659 -12.6390 -12.6328 -12.5338 -12.5273 -4.1420 -4.1394 -1.6528 -1.6470 -0.9064 -0.8770 -0.1451 -0.1015 0.4776 0.4919 1.4174 1.4253 1.9090 1.9133 2.2131 2.2214 2.4675 2.4719 3.4058 3.4136 3.8493 3.8513 4.1000 4.1062 7.4920 7.5023 8.8411 8.8608 9.4065 9.4207 10.7755 10.7910 k = 0.3998 0.1174 0.6223 ( 8291 PWs) bands (ev): -40.8669 -40.8669 -14.1677 -14.1671 -13.4699 -13.4690 -12.6306 -12.6244 -12.5342 -12.5278 -4.1415 -4.1388 -1.6687 -1.6637 -0.8989 -0.8695 -0.1457 -0.1026 0.5347 0.5480 1.4034 1.4113 1.8892 1.8920 2.1840 2.1920 2.4766 2.4808 3.3932 3.4010 3.8493 3.8516 4.1143 4.1206 7.5442 7.5542 8.8161 8.8371 9.3980 9.4094 10.7501 10.7666 k = 0.3926 0.1304 0.6223 ( 8293 PWs) bands (ev): -40.8669 -40.8669 -14.1707 -14.1701 -13.4728 -13.4720 -12.6229 -12.6168 -12.5347 -12.5284 -4.1387 -4.1361 -1.6986 -1.6922 -0.8795 -0.8503 -0.1475 -0.1049 0.5915 0.6042 1.3902 1.3980 1.8670 1.8684 2.1596 2.1671 2.4849 2.4889 3.3812 3.3889 3.8499 3.8524 4.1273 4.1337 7.5935 7.6031 8.7912 8.8137 9.3933 9.4017 10.7232 10.7407 k = 0.3854 0.1435 0.6223 ( 8299 PWs) bands (ev): -40.8669 -40.8669 -14.1731 -14.1725 -13.4755 -13.4749 -12.6159 -12.6099 -12.5354 -12.5292 -4.1338 -4.1311 -1.7402 -1.7315 -0.8499 -0.8210 -0.1503 -0.1082 0.6470 0.6594 1.3778 1.3856 1.8419 1.8437 2.1405 2.1473 2.4924 2.4962 3.3695 3.3771 3.8509 3.8536 4.1391 4.1455 7.6386 7.6478 8.7685 8.7928 9.3916 9.3971 10.6947 10.7132 k = 0.3783 0.1566 0.6223 ( 8304 PWs) bands (ev): -40.8669 -40.8669 -14.1748 -14.1742 -13.4781 -13.4776 -12.6097 -12.6038 -12.5363 -12.5303 -4.1266 -4.1240 -1.7909 -1.7798 -0.8123 -0.7837 -0.1538 -0.1121 0.7000 0.7123 1.3663 1.3740 1.8151 1.8189 2.1266 2.1326 2.4989 2.5026 3.3582 3.3656 3.8523 3.8553 4.1495 4.1560 7.6781 7.6870 8.7501 8.7765 9.3922 9.3955 10.6644 10.6838 k = 0.3711 0.1697 0.6223 ( 8308 PWs) bands (ev): -40.8669 -40.8669 -14.1759 -14.1753 -13.4805 -13.4801 -12.6042 -12.5984 -12.5376 -12.5317 -4.1171 -4.1145 -1.8485 -1.8353 -0.7686 -0.7403 -0.1580 -0.1166 0.7491 0.7618 1.3557 1.3633 1.7889 1.7947 2.1176 2.1229 2.5045 2.5082 3.3471 3.3543 3.8540 3.8573 4.1585 4.1651 7.7105 7.7192 8.7381 8.7668 9.3939 9.3973 10.6321 10.6524 k = 0.3640 0.1827 0.6223 ( 8303 PWs) bands (ev): -40.8669 -40.8669 -14.1764 -14.1757 -13.4826 -13.4824 -12.5994 -12.5937 -12.5391 -12.5334 -4.1054 -4.1029 -1.9113 -1.8962 -0.7206 -0.6926 -0.1625 -0.1215 0.7929 0.8060 1.3460 1.3535 1.7653 1.7731 2.1128 2.1177 2.5092 2.5128 3.3362 3.3432 3.8561 3.8596 4.1661 4.1728 7.7343 7.7429 8.7346 8.7654 9.3964 9.4021 10.5979 10.6191 k = 0.3568 0.1958 0.6223 ( 8304 PWs) bands (ev): -40.8669 -40.8669 -14.1762 -14.1755 -13.4846 -13.4845 -12.5954 -12.5898 -12.5410 -12.5354 -4.0913 -4.0889 -1.9779 -1.9613 -0.6699 -0.6421 -0.1672 -0.1264 0.8297 0.8433 1.3375 1.3447 1.7466 1.7561 2.1119 2.1163 2.5129 2.5166 3.3254 3.3322 3.8585 3.8623 4.1724 4.1791 7.7485 7.7570 8.7410 8.7736 9.4002 9.4086 10.5618 10.5839 k = 0.3496 0.2089 0.6223 ( 8309 PWs) bands (ev): -40.8669 -40.8669 -14.1753 -14.1746 -13.4863 -13.4862 -12.5919 -12.5865 -12.5434 -12.5379 -4.0750 -4.0726 -2.0472 -2.0294 -0.6177 -0.5902 -0.1717 -0.1312 0.8577 0.8718 1.3299 1.3369 1.7350 1.7460 2.1142 2.1184 2.5156 2.5194 3.3148 3.3213 3.8612 3.8652 4.1772 4.1840 7.7527 7.7610 8.7581 8.7922 9.4052 9.4165 10.5241 10.5470 k = 0.3425 0.2219 0.6223 ( 8305 PWs) bands (ev): -40.8669 -40.8669 -14.1738 -14.1730 -13.4879 -13.4877 -12.5892 -12.5838 -12.5462 -12.5408 -4.0564 -4.0541 -2.1185 -2.0997 -0.5653 -0.5380 -0.1755 -0.1355 0.8757 0.8900 1.3233 1.3300 1.7326 1.7446 2.1195 2.1236 2.5174 2.5213 3.3042 3.3105 3.8641 3.8684 4.1807 4.1875 7.7470 7.7549 8.7859 8.8210 9.4112 9.4253 10.4851 10.5088 k = 0.3353 0.2350 0.6223 ( 8308 PWs) bands (ev): -40.8669 -40.8669 -14.1716 -14.1709 -13.4893 -13.4889 -12.5870 -12.5816 -12.5495 -12.5441 -4.0355 -4.0333 -2.1912 -2.1716 -0.5139 -0.4871 -0.1780 -0.1386 0.8829 0.8971 1.3174 1.3238 1.7405 1.7529 2.1275 2.1315 2.5183 2.5222 3.2938 3.2998 3.8673 3.8718 4.1828 4.1896 7.7325 7.7397 8.8237 8.8592 9.4177 9.4347 10.4454 10.4698 k = 0.3282 0.2481 0.6223 ( 8300 PWs) bands (ev): -40.8669 -40.8669 -14.1689 -14.1681 -13.4904 -13.4898 -12.5855 -12.5799 -12.5533 -12.5478 -4.0123 -4.0103 -2.2647 -2.2444 -0.4649 -0.4390 -0.1780 -0.1398 0.8796 0.8933 1.3121 1.3182 1.7589 1.7711 2.1380 2.1420 2.5182 2.5223 3.2834 3.2892 3.8709 3.8756 4.1837 4.1905 7.7103 7.7167 8.8701 8.9056 9.4241 9.4439 10.4057 10.4307 k = 0.3210 0.2611 0.6223 ( 8288 PWs) bands (ev): -40.8669 -40.8669 -14.1655 -14.1647 -13.4914 -13.4906 -12.5846 -12.5787 -12.5576 -12.5518 -3.9869 -3.9850 -2.3387 -2.3178 -0.4204 -0.3963 -0.1733 -0.1377 0.8668 0.8796 1.3073 1.3132 1.7868 1.7984 2.1508 2.1550 2.5172 2.5214 3.2732 3.2787 3.8748 3.8797 4.1833 4.1902 7.6820 7.6873 8.9235 8.9586 9.4301 9.4526 10.3668 10.3923 k = 0.3138 0.2742 0.6223 ( 8286 PWs) bands (ev): -40.8669 -40.8669 -14.1616 -14.1607 -13.4921 -13.4912 -12.5843 -12.5780 -12.5623 -12.5561 -3.9594 -3.9576 -2.4128 -2.3915 -0.3829 -0.3619 -0.1615 -0.1303 0.8461 0.8579 1.3030 1.3086 1.8225 1.8331 2.1659 2.1704 2.5152 2.5196 3.2632 3.2683 3.8790 3.8841 4.1818 4.1887 7.6488 7.6530 8.9822 9.0165 9.4348 9.4600 10.3300 10.3556 k = 0.3067 0.2873 0.6223 ( 8294 PWs) bands (ev): -40.8669 -40.8669 -14.1571 -14.1563 -13.4927 -13.4916 -12.5849 -12.5780 -12.5672 -12.5604 -3.9297 -3.9280 -2.4868 -2.4651 -0.3553 -0.3379 -0.1403 -0.1158 0.8193 0.8300 1.2991 1.3046 1.8641 1.8734 2.1834 2.1882 2.5124 2.5169 3.2534 3.2582 3.8837 3.8890 4.1792 4.1861 7.6119 7.6151 9.0443 9.0773 9.4382 9.4656 10.2964 10.3219 k = 0.2995 0.3003 0.6223 ( 8306 PWs) bands (ev): -40.8669 -40.8669 -14.1522 -14.1513 -13.4931 -13.4918 -12.5865 -12.5793 -12.5715 -12.5644 -3.8980 -3.8965 -2.5603 -2.5383 -0.3394 -0.3236 -0.1106 -0.0934 0.7882 0.7978 1.2959 1.3012 1.9096 1.9173 2.2033 2.2086 2.5088 2.5134 3.2439 3.2484 3.8888 3.8942 4.1756 4.1825 7.5725 7.5746 9.1075 9.1381 9.4404 9.4696 10.2677 10.2926 k = 0.2924 0.3134 0.6223 ( 8311 PWs) bands (ev): -40.8669 -40.8669 -14.1468 -14.1458 -13.4934 -13.4919 -12.5893 -12.5830 -12.5739 -12.5678 -3.8643 -3.8629 -2.6332 -2.6110 -0.3340 -0.3169 -0.0754 -0.0642 0.7544 0.7629 1.2933 1.2985 1.9571 1.9632 2.2257 2.2316 2.5043 2.5090 3.2350 3.2391 3.8944 3.9000 4.1712 4.1781 7.5314 7.5326 9.1681 9.1943 9.4441 9.4735 10.2451 10.2689 k = 0.2852 0.3265 0.6223 ( 8308 PWs) bands (ev): -40.8669 -40.8669 -14.1409 -14.1400 -13.4935 -13.4919 -12.5934 -12.5887 -12.5751 -12.5704 -3.8287 -3.8275 -2.7053 -2.6829 -0.3355 -0.3161 -0.0385 -0.0312 0.7194 0.7270 1.2914 1.2965 2.0050 2.0095 2.2506 2.2573 2.4990 2.5037 3.2266 3.2303 3.9007 3.9064 4.1660 4.1729 7.4892 7.4897 9.2193 9.2369 9.4557 9.4829 10.2299 10.2520 k = 0.2780 0.3396 0.6223 ( 8310 PWs) bands (ev): -40.8669 -40.8669 -14.1347 -14.1337 -13.4936 -13.4919 -12.5985 -12.5952 -12.5759 -12.5724 -3.7914 -3.7903 -2.7764 -2.7538 -0.3413 -0.3197 -0.0024 0.0028 0.6847 0.6912 1.2903 1.2952 2.0520 2.0548 2.2783 2.2859 2.4929 2.4978 3.2190 3.2223 3.9076 3.9134 4.1601 4.1670 7.4461 7.4470 9.2504 9.2545 9.4845 9.5082 10.2228 10.2428 k = 0.2709 0.3526 0.6223 ( 8305 PWs) bands (ev): -40.8669 -40.8669 -14.1282 -14.1272 -13.4937 -13.4918 -12.6044 -12.6020 -12.5768 -12.5740 -3.7525 -3.7515 -2.8462 -2.8235 -0.3497 -0.3265 0.0308 0.0352 0.6515 0.6570 1.2898 1.2946 2.0969 2.0982 2.3087 2.3171 2.4863 2.4911 3.2123 3.2153 3.9152 3.9211 4.1536 4.1605 7.4031 7.4046 9.2447 9.2532 9.5329 9.5564 10.2239 10.2414 k = 0.2637 0.3657 0.6223 ( 8302 PWs) bands (ev): -40.8669 -40.8669 -14.1215 -14.1205 -13.4937 -13.4917 -12.6106 -12.6089 -12.5779 -12.5754 -3.7121 -3.7112 -2.9146 -2.8918 -0.3600 -0.3356 0.0596 0.0638 0.6213 0.6258 1.2901 1.2946 2.1387 2.1395 2.3413 2.3503 2.4792 2.4838 3.2069 3.2094 3.9236 3.9295 4.1466 4.1535 7.3607 7.3629 9.2147 9.2312 9.5963 9.6211 10.2328 10.2476 k = 0.2566 0.3788 0.6223 ( 8298 PWs) bands (ev): -40.8669 -40.8669 -14.1146 -14.1136 -13.4936 -13.4916 -12.6171 -12.6157 -12.5790 -12.5766 -3.6706 -3.6697 -2.9813 -2.9583 -0.3716 -0.3464 0.0827 0.0869 0.5952 0.5987 1.2910 1.2954 2.1770 2.1787 2.3755 2.3845 2.4722 2.4762 3.2029 3.2050 3.9328 3.9387 4.1393 4.1462 7.3193 7.3221 9.1712 9.1922 9.6689 9.6947 10.2486 10.2606 k = 0.2494 0.3918 0.6223 ( 8294 PWs) bands (ev): -40.8669 -40.8669 -14.1077 -14.1067 -13.4936 -13.4915 -12.6235 -12.6225 -12.5802 -12.5779 -3.6284 -3.6274 -3.0459 -3.0227 -0.3842 -0.3585 0.0986 0.1030 0.5746 0.5772 1.2925 1.2968 2.2126 2.2151 2.4094 2.4165 2.4675 2.4692 3.2006 3.2022 3.9429 3.9488 4.1317 4.1386 7.2793 7.2826 9.1182 9.1418 9.7469 9.7729 10.2702 10.2795 k = 0.2422 0.4049 0.6223 ( 8298 PWs) bands (ev): -40.8669 -40.8669 -14.1008 -14.0998 -13.4936 -13.4914 -12.6297 -12.6290 -12.5816 -12.5792 -3.5860 -3.5848 -3.1078 -3.0843 -0.3976 -0.3716 0.1066 0.1112 0.5602 0.5620 1.2947 1.2988 2.2459 2.2488 2.4350 2.4372 2.4677 2.4753 3.2002 3.2015 3.9538 3.9597 4.1240 4.1308 7.2409 7.2447 9.0582 9.0833 9.8279 9.8538 10.2963 10.3032 k = 0.2351 0.4180 0.6223 ( 8299 PWs) bands (ev): -40.8669 -40.8669 -14.0940 -14.0930 -13.4935 -13.4913 -12.6356 -12.6351 -12.5830 -12.5805 -3.5448 -3.5433 -3.1658 -3.1419 -0.4118 -0.3856 0.1063 0.1114 0.5521 0.5534 1.2974 1.3014 2.2770 2.2801 2.4341 2.4419 2.4878 2.5010 3.2022 3.2030 3.9655 3.9714 4.1161 4.1230 7.2044 7.2086 8.9929 9.0190 9.9107 9.9363 10.3258 10.3305 k = 0.2279 0.4310 0.6223 ( 8303 PWs) bands (ev): -40.8669 -40.8669 -14.0875 -14.0865 -13.4934 -13.4911 -12.6410 -12.6407 -12.5844 -12.5819 -3.5072 -3.5053 -3.2173 -3.1929 -0.4266 -0.4003 0.0986 0.1041 0.5497 0.5507 1.3007 1.3045 2.3057 2.3086 2.4279 2.4364 2.5164 2.5300 3.2065 3.2070 3.9781 3.9838 4.1083 4.1151 7.1700 7.1744 8.9237 8.9503 9.9947 10.0198 10.3575 10.3605 k = 0.2208 0.4441 0.6223 ( 8307 PWs) bands (ev): -40.8669 -40.8669 -14.0813 -14.0804 -13.4932 -13.4910 -12.6460 -12.6457 -12.5859 -12.5833 -3.4789 -3.4771 -3.2562 -3.2320 -0.4419 -0.4157 0.0848 0.0907 0.5517 0.5524 1.3043 1.3081 2.3306 2.3329 2.4230 2.4320 2.5434 2.5569 3.2134 3.2137 3.9914 3.9970 4.1005 4.1073 7.1379 7.1426 8.8515 8.8785 10.0794 10.1039 10.3905 10.3923 k = 0.2136 0.4572 0.6223 ( 8306 PWs) bands (ev): -40.8669 -40.8669 -14.0757 -14.0748 -13.4929 -13.4907 -12.6503 -12.6501 -12.5873 -12.5847 -3.4703 -3.4697 -3.2709 -3.2491 -0.4577 -0.4316 0.0665 0.0727 0.5566 0.5571 1.3084 1.3121 2.3480 2.3498 2.4242 2.4335 2.5669 2.5801 3.2228 3.2229 4.0053 4.0109 4.0929 4.0997 7.1082 7.1131 8.7774 8.8045 10.1643 10.1881 10.4238 10.4252 k = 0.2136 0.4572 0.6223 ( 8306 PWs) bands (ev): -40.8669 -40.8669 -14.0757 -14.0748 -13.4929 -13.4907 -12.6503 -12.6501 -12.5873 -12.5847 -3.4703 -3.4697 -3.2709 -3.2491 -0.4577 -0.4316 0.0665 0.0727 0.5566 0.5571 1.3084 1.3121 2.3480 2.3498 2.4242 2.4335 2.5669 2.5801 3.2228 3.2229 4.0053 4.0109 4.0929 4.0997 7.1082 7.1131 8.7774 8.8045 10.1643 10.1881 10.4238 10.4252 k = 0.2039 0.4634 0.6138 ( 8316 PWs) bands (ev): -40.8669 -40.8669 -14.0688 -14.0680 -13.4918 -13.4897 -12.6557 -12.6555 -12.5894 -12.5867 -3.5031 -3.4967 -3.2456 -3.2296 -0.4792 -0.4534 0.0397 0.0462 0.5642 0.5647 1.3137 1.3174 2.3628 2.3645 2.4330 2.4422 2.5959 2.6088 3.2371 3.2372 4.0246 4.0300 4.0831 4.0898 7.0690 7.0739 8.6765 8.7035 10.2802 10.3030 10.4670 10.4685 k = 0.1942 0.4696 0.6054 ( 8312 PWs) bands (ev): -40.8669 -40.8669 -14.0627 -14.0620 -13.4897 -13.4876 -12.6610 -12.6608 -12.5918 -12.5890 -3.5603 -3.5504 -3.1932 -3.1807 -0.5003 -0.4749 0.0134 0.0204 0.5717 0.5722 1.3184 1.3220 2.3757 2.3774 2.4421 2.4513 2.6246 2.6369 3.2514 3.2514 4.0439 4.0491 4.0740 4.0805 7.0283 7.0332 8.5775 8.6042 10.3971 10.4188 10.5068 10.5083 k = 0.1845 0.4758 0.5969 ( 8304 PWs) bands (ev): -40.8669 -40.8669 -14.0574 -14.0568 -13.4865 -13.4845 -12.6662 -12.6660 -12.5944 -12.5916 -3.6239 -3.6125 -3.1320 -3.1211 -0.5209 -0.4959 -0.0121 -0.0048 0.5789 0.5794 1.3224 1.3259 2.3870 2.3888 2.4515 2.4605 2.6524 2.6643 3.2655 3.2656 4.0618 4.0668 4.0682 4.0719 6.9863 6.9910 8.4810 8.5072 10.5137 10.5340 10.5439 10.5452 k = 0.1748 0.4820 0.5885 ( 8310 PWs) bands (ev): -40.8670 -40.8669 -14.0529 -14.0524 -13.4822 -13.4804 -12.6712 -12.6710 -12.5972 -12.5944 -3.6880 -3.6760 -3.0680 -3.0578 -0.5410 -0.5165 -0.0367 -0.0290 0.5860 0.5865 1.3258 1.3292 2.3971 2.3988 2.4611 2.4699 2.6794 2.6906 3.2795 3.2796 4.0572 4.0638 4.0827 4.0871 6.9430 6.9475 8.3877 8.4131 10.5740 10.5745 10.6341 10.6520 k = 0.1651 0.4882 0.5800 ( 8314 PWs) bands (ev): -40.8670 -40.8670 -14.0492 -14.0488 -13.4771 -13.4753 -12.6761 -12.6759 -12.6002 -12.5975 -3.7506 -3.7385 -3.0034 -2.9935 -0.5605 -0.5366 -0.0604 -0.0523 0.5929 0.5934 1.3287 1.3319 2.4059 2.4076 2.4708 2.4793 2.7052 2.7159 3.2933 3.2933 4.0501 4.0564 4.1015 4.1058 6.8988 6.9029 8.2981 8.3226 10.6015 10.6023 10.7513 10.7680 k = 0.1553 0.4945 0.5716 ( 8314 PWs) bands (ev): -40.8670 -40.8670 -14.0462 -14.0459 -13.4710 -13.4694 -12.6808 -12.6806 -12.6035 -12.6008 -3.8109 -3.7990 -2.9393 -2.9295 -0.5794 -0.5562 -0.0829 -0.0745 0.5995 0.6000 1.3310 1.3341 2.4137 2.4153 2.4804 2.4886 2.7298 2.7399 3.3067 3.3068 4.0436 4.0497 4.1201 4.1242 6.8537 6.8574 8.2127 8.2361 10.6246 10.6253 10.8681 10.8831 k = 0.1456 0.5007 0.5631 ( 8314 PWs) bands (ev): -40.8670 -40.8670 -14.0439 -14.0436 -13.4643 -13.4627 -12.6853 -12.6851 -12.6069 -12.6043 -3.8683 -3.8567 -2.8764 -2.8665 -0.5976 -0.5751 -0.1042 -0.0956 0.6059 0.6063 1.3328 1.3357 2.4205 2.4222 2.4900 2.4979 2.7530 2.7626 3.3198 3.3198 4.0377 4.0436 4.1383 4.1421 6.8080 6.8111 8.1319 8.1540 10.6433 10.6441 10.9836 10.9966 k = 0.1359 0.5069 0.5547 ( 8316 PWs) bands (ev): -40.8670 -40.8670 -14.0422 -14.0420 -13.4569 -13.4555 -12.6895 -12.6894 -12.6105 -12.6079 -3.9226 -3.9115 -2.8151 -2.8053 -0.6150 -0.5934 -0.1242 -0.1154 0.6119 0.6124 1.3342 1.3370 2.4266 2.4282 2.4993 2.5069 2.7749 2.7839 3.3324 3.3325 4.0324 4.0380 4.1560 4.1596 6.7620 6.7646 8.0560 8.0767 10.6580 10.6586 11.0970 11.1078 k = 0.1262 0.5131 0.5462 ( 8316 PWs) bands (ev): -40.8670 -40.8670 -14.0410 -14.0409 -13.4491 -13.4478 -12.6936 -12.6934 -12.6142 -12.6117 -3.9737 -3.9631 -2.7560 -2.7461 -0.6316 -0.6110 -0.1429 -0.1339 0.6177 0.6181 1.3353 1.3378 2.4319 2.4334 2.5084 2.5156 2.7953 2.8038 3.3446 3.3446 4.0278 4.0331 4.1732 4.1765 6.7161 6.7181 7.9853 8.0046 10.6688 10.6694 11.2073 11.2156 k = 0.1165 0.5193 0.5377 ( 8324 PWs) bands (ev): -40.8670 -40.8670 -14.0403 -14.0403 -13.4410 -13.4398 -12.6974 -12.6972 -12.6179 -12.6155 -4.0213 -4.0114 -2.6993 -2.6895 -0.6474 -0.6278 -0.1601 -0.1511 0.6230 0.6234 1.3360 1.3384 2.4365 2.4380 2.5172 2.5239 2.8143 2.8222 3.3562 3.3562 4.0236 4.0287 4.1896 4.1927 6.6707 6.6720 7.9200 7.9377 10.6763 10.6768 11.3131 11.3184 k = 0.1068 0.5255 0.5293 ( 8324 PWs) bands (ev): -40.8670 -40.8670 -14.0400 -14.0400 -13.4328 -13.4316 -12.7009 -12.7008 -12.6217 -12.6194 -4.0654 -4.0561 -2.6455 -2.6358 -0.6622 -0.6437 -0.1758 -0.1669 0.6281 0.6284 1.3364 1.3387 2.4404 2.4420 2.5255 2.5318 2.8318 2.8391 3.3671 3.3671 4.0201 4.0248 4.2053 4.2081 6.6261 6.6268 7.8602 7.8763 10.6808 10.6813 11.4120 11.4141 k = 0.0971 0.5317 0.5208 ( 8328 PWs) bands (ev): -40.8670 -40.8670 -14.0401 -14.0401 -13.4245 -13.4235 -12.7042 -12.7041 -12.6254 -12.6233 -4.1059 -4.0973 -2.5949 -2.5854 -0.6760 -0.6588 -0.1901 -0.1814 0.6327 0.6331 1.3367 1.3387 2.4439 2.4453 2.5334 2.5392 2.8478 2.8545 3.3773 3.3774 4.0170 4.0213 4.2201 4.2227 6.5830 6.5831 7.8060 7.8204 10.6829 10.6833 11.4995 11.5009 k = 0.0874 0.5379 0.5124 ( 8332 PWs) bands (ev): -40.8670 -40.8670 -14.0404 -14.0403 -13.4165 -13.4155 -12.7072 -12.7071 -12.6290 -12.6270 -4.1426 -4.1349 -2.5479 -2.5387 -0.6887 -0.6728 -0.2028 -0.1944 0.6370 0.6373 1.3368 1.3386 2.4468 2.4482 2.5407 2.5460 2.8623 2.8684 3.3868 3.3868 4.0144 4.0183 4.2339 4.2362 6.5415 6.5418 7.7573 7.7701 10.6830 10.6834 11.5709 11.5752 k = 0.0777 0.5441 0.5039 ( 8320 PWs) bands (ev): -40.8670 -40.8670 -14.0408 -14.0407 -13.4088 -13.4079 -12.7099 -12.7098 -12.6325 -12.6306 -4.1756 -4.1687 -2.5047 -2.4960 -0.7002 -0.6858 -0.2141 -0.2061 0.6408 0.6411 1.3367 1.3384 2.4493 2.4506 2.5474 2.5522 2.8753 2.8808 3.3955 3.3955 4.0122 4.0158 4.2467 4.2487 6.5023 6.5030 7.7141 7.7253 10.6818 10.6821 11.6252 11.6311 k = 0.0680 0.5504 0.4955 ( 8334 PWs) bands (ev): -40.8670 -40.8670 -14.0414 -14.0413 -13.4015 -13.4008 -12.7123 -12.7122 -12.6357 -12.6340 -4.2048 -4.1987 -2.4656 -2.4576 -0.7105 -0.6977 -0.2238 -0.2164 0.6443 0.6445 1.3366 1.3380 2.4513 2.4525 2.5535 2.5577 2.8868 2.8916 3.4032 3.4032 4.0104 4.0135 4.2583 4.2601 6.4663 6.4672 7.6763 7.6860 10.6796 10.6798 11.6630 11.6688 k = 0.0583 0.5566 0.4870 ( 8334 PWs) bands (ev): -40.8670 -40.8670 -14.0419 -14.0418 -13.3949 -13.3943 -12.7145 -12.7144 -12.6386 -12.6372 -4.2302 -4.2248 -2.4310 -2.4238 -0.7195 -0.7083 -0.2320 -0.2254 0.6473 0.6475 1.3364 1.3377 2.4530 2.4541 2.5589 2.5625 2.8968 2.9009 3.4101 3.4101 4.0089 4.0117 4.2686 4.2701 6.4339 6.4350 7.6439 7.6520 10.6768 10.6770 11.6876 11.6924 k = 0.0485 0.5628 0.4786 ( 8332 PWs) bands (ev): -40.8670 -40.8670 -14.0425 -14.0424 -13.3891 -13.3885 -12.7163 -12.7162 -12.6412 -12.6400 -4.2516 -4.2471 -2.4011 -2.3948 -0.7271 -0.7176 -0.2388 -0.2330 0.6498 0.6500 1.3363 1.3373 2.4544 2.4554 2.5635 2.5666 2.9053 2.9088 3.4159 3.4159 4.0078 4.0101 4.2775 4.2788 6.4057 6.4067 7.6167 7.6234 10.6738 10.6740 11.7034 11.7070 k = 0.0388 0.5690 0.4701 ( 8328 PWs) bands (ev): -40.8670 -40.8670 -14.0430 -14.0430 -13.3841 -13.3837 -12.7177 -12.7177 -12.6434 -12.6424 -4.2691 -4.2655 -2.3762 -2.3709 -0.7333 -0.7255 -0.2441 -0.2394 0.6520 0.6521 1.3361 1.3369 2.4555 2.4563 2.5674 2.5699 2.9123 2.9151 3.4208 3.4208 4.0070 4.0088 4.2849 4.2860 6.3819 6.3829 7.5947 7.6000 10.6710 10.6711 11.7135 11.7160 k = 0.0291 0.5752 0.4616 ( 8322 PWs) bands (ev): -40.8670 -40.8670 -14.0435 -14.0434 -13.3801 -13.3798 -12.7189 -12.7188 -12.6451 -12.6444 -4.2826 -4.2799 -2.3564 -2.3523 -0.7379 -0.7320 -0.2481 -0.2444 0.6536 0.6537 1.3360 1.3366 2.4564 2.4570 2.5706 2.5724 2.9178 2.9199 3.4246 3.4246 4.0064 4.0078 4.2908 4.2916 6.3631 6.3640 7.5778 7.5818 10.6686 10.6687 11.7199 11.7216 k = 0.0194 0.5814 0.4532 ( 8322 PWs) bands (ev): -40.8670 -40.8670 -14.0438 -14.0438 -13.3772 -13.3770 -12.7197 -12.7197 -12.6463 -12.6458 -4.2922 -4.2904 -2.3419 -2.3392 -0.7409 -0.7369 -0.2507 -0.2482 0.6548 0.6549 1.3359 1.3363 2.4570 2.4574 2.5729 2.5742 2.9218 2.9232 3.4273 3.4273 4.0061 4.0070 4.2952 4.2957 6.3495 6.3501 7.5660 7.5686 10.6667 10.6667 11.7239 11.7250 k = 0.0097 0.5876 0.4447 ( 8320 PWs) bands (ev): -40.8670 -40.8670 -14.0440 -14.0440 -13.3754 -13.3753 -12.7202 -12.7202 -12.6470 -12.6468 -4.2977 -4.2968 -2.3329 -2.3315 -0.7423 -0.7403 -0.2520 -0.2507 0.6555 0.6556 1.3359 1.3361 2.4574 2.4576 2.5744 2.5751 2.9244 2.9251 3.4290 3.4290 4.0060 4.0065 4.2978 4.2981 6.3414 6.3417 7.5592 7.5605 10.6655 10.6655 11.7262 11.7267 k = 0.0000 0.5938 0.4363 ( 8328 PWs) bands (ev): -40.8670 -40.8670 -14.0441 -14.0441 -13.3748 -13.3748 -12.7204 -12.7204 -12.6472 -12.6472 -4.2993 -4.2993 -2.3294 -2.3294 -0.7421 -0.7421 -0.2520 -0.2520 0.6558 0.6558 1.3359 1.3359 2.4576 2.4576 2.5752 2.5752 2.9255 2.9255 3.4295 3.4295 4.0061 4.0061 4.2988 4.2988 6.3387 6.3387 7.5573 7.5573 10.6651 10.6651 11.7270 11.7270 k = 0.0000 0.5938 0.4363 ( 8328 PWs) bands (ev): -40.8670 -40.8670 -14.0441 -14.0441 -13.3748 -13.3748 -12.7204 -12.7204 -12.6472 -12.6472 -4.2993 -4.2993 -2.3294 -2.3294 -0.7421 -0.7421 -0.2520 -0.2520 0.6558 0.6558 1.3359 1.3359 2.4576 2.4576 2.5752 2.5752 2.9255 2.9255 3.4295 3.4295 4.0061 4.0061 4.2988 4.2988 6.3387 6.3387 7.5573 7.5573 10.6651 10.6651 11.7270 11.7270 k = 0.0000 0.5820 0.4276 ( 8330 PWs) bands (ev): -40.8670 -40.8670 -14.0452 -14.0450 -13.3746 -13.3746 -12.7201 -12.7196 -12.6468 -12.6462 -4.2992 -4.2991 -2.3288 -2.3279 -0.7423 -0.7423 -0.2514 -0.2514 0.6523 0.6541 1.3357 1.3362 2.4488 2.4516 2.5823 2.5844 2.9237 2.9241 3.4283 3.4286 4.0061 4.0062 4.2978 4.2981 6.3415 6.3417 7.5575 7.5588 10.6640 10.6658 11.7169 11.7270 k = 0.0000 0.5701 0.4188 ( 8334 PWs) bands (ev): -40.8670 -40.8670 -14.0483 -14.0480 -13.3742 -13.3742 -12.7188 -12.7180 -12.6451 -12.6438 -4.2987 -4.2985 -2.3261 -2.3242 -0.7429 -0.7429 -0.2496 -0.2495 0.6437 0.6472 1.3356 1.3365 2.4302 2.4347 2.6019 2.6050 2.9187 2.9195 3.4247 3.4253 4.0061 4.0062 4.2950 4.2957 6.3499 6.3503 7.5594 7.5620 10.6625 10.6662 11.6978 11.7167 k = 0.0000 0.5582 0.4101 ( 8324 PWs) bands (ev): -40.8670 -40.8670 -14.0534 -14.0530 -13.3735 -13.3735 -12.7166 -12.7153 -12.6420 -12.6400 -4.2979 -4.2975 -2.3213 -2.3184 -0.7439 -0.7438 -0.2466 -0.2465 0.6301 0.6352 1.3353 1.3367 2.4076 2.4130 2.6277 2.6311 2.9106 2.9118 3.4189 3.4198 4.0061 4.0063 4.2906 4.2916 6.3635 6.3642 7.5632 7.5672 10.6604 10.6660 11.6715 11.6974 k = 0.0000 0.5463 0.4014 ( 8326 PWs) bands (ev): -40.8670 -40.8670 -14.0605 -14.0600 -13.3726 -13.3726 -12.7135 -12.7119 -12.6374 -12.6348 -4.2968 -4.2963 -2.3143 -2.3105 -0.7452 -0.7451 -0.2423 -0.2422 0.6115 0.6183 1.3349 1.3368 2.3842 2.3903 2.6561 2.6594 2.8999 2.9015 3.4109 3.4121 4.0062 4.0064 4.2845 4.2859 6.3818 6.3828 7.5693 7.5746 10.6576 10.6650 11.6394 11.6707 k = 0.0000 0.5345 0.3926 ( 8328 PWs) bands (ev): -40.8670 -40.8670 -14.0694 -14.0688 -13.3713 -13.3713 -12.7097 -12.7076 -12.6314 -12.6281 -4.2953 -4.2947 -2.3052 -2.3005 -0.7470 -0.7469 -0.2368 -0.2366 0.5881 0.5965 1.3342 1.3365 2.3616 2.3682 2.6850 2.6880 2.8872 2.8889 3.4006 3.4021 4.0064 4.0066 4.2767 4.2784 6.4039 6.4053 7.5782 7.5849 10.6539 10.6630 11.6032 11.6384 k = 0.0000 0.5226 0.3839 ( 8320 PWs) bands (ev): -40.8670 -40.8670 -14.0801 -14.0794 -13.3698 -13.3698 -12.7052 -12.7028 -12.6240 -12.6201 -4.2936 -4.2929 -2.2939 -2.2882 -0.7492 -0.7491 -0.2299 -0.2296 0.5603 0.5702 1.3329 1.3357 2.3407 2.3478 2.7126 2.7149 2.8738 2.8756 3.3882 3.3899 4.0068 4.0070 4.2672 4.2692 6.4288 6.4306 7.5906 7.5986 10.6487 10.6595 11.5638 11.6019 k = 0.0000 0.5107 0.3752 ( 8324 PWs) bands (ev): -40.8670 -40.8670 -14.0924 -14.0916 -13.3681 -13.3681 -12.7001 -12.6974 -12.6151 -12.6107 -4.2917 -4.2909 -2.2805 -2.2739 -0.7519 -0.7518 -0.2217 -0.2214 0.5283 0.5396 1.3309 1.3342 2.3221 2.3296 2.7354 2.7368 2.8631 2.8644 3.3735 3.3755 4.0073 4.0076 4.2560 4.2582 6.4554 6.4577 7.6072 7.6164 10.6415 10.6540 11.5224 11.5626 k = 0.0000 0.4988 0.3665 ( 8324 PWs) bands (ev): -40.8670 -40.8670 -14.1063 -14.1053 -13.3661 -13.3660 -12.6945 -12.6915 -12.6049 -12.6000 -4.2895 -4.2887 -2.2649 -2.2573 -0.7552 -0.7550 -0.2121 -0.2117 0.4924 0.5050 1.3280 1.3317 2.3064 2.3142 2.7468 2.7473 2.8616 2.8618 3.3566 3.3589 4.0081 4.0084 4.2431 4.2456 6.4823 6.4850 7.6288 7.6393 10.6319 10.6457 11.4801 11.5216 k = 0.0000 0.4870 0.3577 ( 8328 PWs) bands (ev): -40.8670 -40.8670 -14.1215 -14.1204 -13.3638 -13.3638 -12.6885 -12.6853 -12.5934 -12.5881 -4.2872 -4.2863 -2.2471 -2.2385 -0.7589 -0.7587 -0.2010 -0.2006 0.4529 0.4668 1.3238 1.3280 2.2938 2.3020 2.7398 2.7422 2.8734 2.8746 3.3376 3.3402 4.0092 4.0095 4.2285 4.2313 6.5081 6.5114 7.6563 7.6679 10.6189 10.6339 11.4378 11.4801 k = 0.0000 0.4751 0.3490 ( 8320 PWs) bands (ev): -40.8670 -40.8670 -14.1379 -14.1368 -13.3613 -13.3613 -12.6821 -12.6787 -12.5807 -12.5751 -4.2849 -4.2839 -2.2270 -2.2175 -0.7632 -0.7630 -0.1885 -0.1880 0.4103 0.4254 1.3182 1.3228 2.2847 2.2932 2.7196 2.7232 2.8967 2.8986 3.3166 3.3194 4.0106 4.0108 4.2122 4.2153 6.5317 6.5354 7.6904 7.7029 10.6019 10.6175 11.3969 11.4393 k = 0.0000 0.4632 0.3403 ( 8324 PWs) bands (ev): -40.8670 -40.8670 -14.1554 -14.1543 -13.3586 -13.3586 -12.6753 -12.6718 -12.5670 -12.5611 -4.2825 -4.2815 -2.2048 -2.1943 -0.7681 -0.7679 -0.1745 -0.1739 0.3649 0.3810 1.3109 1.3160 2.2793 2.2879 2.6917 2.6962 2.9259 2.9281 3.2935 3.2966 4.0123 4.0125 4.1942 4.1975 6.5519 6.5560 7.7315 7.7449 10.5798 10.5957 11.3587 11.4005 k = 0.0000 0.4513 0.3316 ( 8320 PWs) bands (ev): -40.8670 -40.8670 -14.1739 -14.1727 -13.3557 -13.3556 -12.6682 -12.6645 -12.5524 -12.5462 -4.2801 -4.2791 -2.1803 -2.1688 -0.7735 -0.7733 -0.1590 -0.1583 0.3172 0.3343 1.3019 1.3073 2.2774 2.2861 2.6594 2.6646 2.9579 2.9602 3.2686 3.2720 4.0143 4.0145 4.1746 4.1781 6.5679 6.5722 7.7801 7.7939 10.5520 10.5675 11.3243 11.3649 k = 0.0000 0.4394 0.3228 ( 8320 PWs) bands (ev): -40.8670 -40.8670 -14.1932 -14.1920 -13.3525 -13.3525 -12.6607 -12.6569 -12.5370 -12.5306 -4.2778 -4.2768 -2.1536 -2.1411 -0.7796 -0.7793 -0.1420 -0.1411 0.2677 0.2856 1.2909 1.2967 2.2788 2.2875 2.6246 2.6302 2.9912 2.9935 3.2419 3.2455 4.0167 4.0169 4.1534 4.1571 6.5791 6.5835 7.8357 7.8499 10.5178 10.5324 11.2948 11.3334 k = 0.0000 0.4276 0.3141 ( 8308 PWs) bands (ev): -40.8670 -40.8670 -14.2132 -14.2120 -13.3492 -13.3491 -12.6529 -12.6491 -12.5210 -12.5144 -4.2757 -4.2746 -2.1246 -2.1111 -0.7861 -0.7858 -0.1235 -0.1224 0.2167 0.2353 1.2780 1.2841 2.2828 2.2914 2.5885 2.5947 3.0253 3.0277 3.2136 3.2174 4.0194 4.0196 4.1305 4.1344 6.5852 6.5896 7.8980 7.9122 10.4770 10.4902 11.2709 11.3070 k = 0.0000 0.4157 0.3054 ( 8298 PWs) bands (ev): -40.8670 -40.8670 -14.2338 -14.2325 -13.3456 -13.3456 -12.6448 -12.6409 -12.5044 -12.4978 -4.2737 -4.2727 -2.0934 -2.0790 -0.7932 -0.7929 -0.1035 -0.1022 0.1647 0.1838 1.2632 1.2695 2.2880 2.2963 2.5529 2.5599 3.0598 3.0622 3.1837 3.1877 4.0225 4.0227 4.1061 4.1101 6.5863 6.5906 7.9660 7.9800 10.4299 10.4413 11.2529 11.2859 k = 0.0000 0.4038 0.2967 ( 8302 PWs) bands (ev): -40.8671 -40.8671 -14.2548 -14.2535 -13.3420 -13.3419 -12.6364 -12.6324 -12.4875 -12.4808 -4.2721 -4.2710 -2.0600 -2.0445 -0.8009 -0.8005 -0.0822 -0.0805 0.1123 0.1317 1.2465 1.2531 2.2919 2.2995 2.5208 2.5286 3.0944 3.0969 3.1524 3.1566 4.0259 4.0260 4.0801 4.0842 6.5826 6.5867 8.0385 8.0519 10.3773 10.3868 11.2406 11.2703 k = 0.0000 0.3919 0.2879 ( 8298 PWs) bands (ev): -40.8671 -40.8671 -14.2762 -14.2749 -13.3381 -13.3381 -12.6277 -12.6237 -12.4704 -12.4635 -4.2708 -4.2697 -2.0244 -2.0079 -0.8090 -0.8086 -0.0600 -0.0572 0.0602 0.0793 1.2281 1.2348 2.2898 2.2966 2.4966 2.5055 3.1198 3.1234 3.1301 3.1317 4.0293 4.0295 4.0528 4.0568 6.5745 6.5783 8.1138 8.1265 10.3206 10.3282 11.2334 11.2598 k = 0.0000 0.3801 0.2792 ( 8294 PWs) bands (ev): -40.8671 -40.8671 -14.2977 -14.2965 -13.3341 -13.3341 -12.6187 -12.6147 -12.4531 -12.4462 -4.2698 -4.2688 -1.9866 -1.9691 -0.8175 -0.8171 -0.0396 -0.0326 0.0116 0.0270 1.2079 1.2148 2.2764 2.2824 2.4858 2.4958 3.0862 3.0907 3.1640 3.1664 4.0220 4.0272 4.0342 4.0350 6.5624 6.5659 8.1901 8.2019 10.2615 10.2674 11.2308 11.2540 k = 0.0000 0.3682 0.2705 ( 8298 PWs) bands (ev): -40.8671 -40.8671 -14.3195 -14.3182 -13.3300 -13.3300 -12.6095 -12.6054 -12.4357 -12.4288 -4.2693 -4.2684 -1.9467 -1.9281 -0.8265 -0.8260 -0.0541 -0.0253 -0.0060 -0.0003 1.1862 1.1932 2.2494 2.2549 2.4908 2.5013 3.0516 3.0562 3.1984 3.2010 3.9924 3.9972 4.0379 4.0383 6.5467 6.5498 8.2652 8.2758 10.2023 10.2068 11.2321 11.2522 k = 0.0000 0.3563 0.2618 ( 8296 PWs) bands (ev): -40.8671 -40.8671 -14.3412 -14.3400 -13.3258 -13.3257 -12.6000 -12.5960 -12.4183 -12.4114 -4.2693 -4.2685 -1.9046 -1.8851 -0.8358 -0.8352 -0.1017 -0.0761 0.0213 0.0233 1.1631 1.1701 2.2116 2.2168 2.5086 2.5195 3.0162 3.0210 3.2325 3.2353 3.9606 3.9655 4.0423 4.0426 6.5279 6.5306 8.3366 8.3457 10.1455 10.1490 11.2366 11.2538 k = 0.0000 0.3444 0.2530 ( 8294 PWs) bands (ev): -40.8671 -40.8671 -14.3629 -14.3617 -13.3215 -13.3214 -12.5903 -12.5863 -12.4011 -12.3942 -4.2699 -4.2691 -1.8605 -1.8400 -0.8454 -0.8448 -0.1511 -0.1261 0.0501 0.0512 1.1386 1.1458 2.1667 2.1719 2.5355 2.5464 2.9801 2.9851 3.2664 3.2692 3.9274 3.9324 4.0469 4.0471 6.5063 6.5087 8.4014 8.4087 10.0942 10.0972 11.2437 11.2584 k = 0.0000 0.3326 0.2443 ( 8297 PWs) bands (ev): -40.8671 -40.8671 -14.3845 -14.3833 -13.3171 -13.3170 -12.5805 -12.5765 -12.3841 -12.3772 -4.2710 -4.2702 -1.8145 -1.7929 -0.8553 -0.8546 -0.1996 -0.1746 0.0803 0.0809 1.1129 1.1201 2.1175 2.1227 2.5686 2.5795 2.9436 2.9487 3.2998 3.3028 3.8930 3.8980 4.0516 4.0518 6.4824 6.4843 8.4563 8.4615 10.0517 10.0546 11.2529 11.2652 k = 0.0000 0.3207 0.2356 ( 8293 PWs) bands (ev): -40.8671 -40.8671 -14.4059 -14.4047 -13.3126 -13.3126 -12.5705 -12.5666 -12.3673 -12.3605 -4.2727 -4.2720 -1.7666 -1.7440 -0.8653 -0.8646 -0.2465 -0.2214 0.1116 0.1120 1.0862 1.0934 2.0657 2.0708 2.6063 2.6172 2.9067 2.9119 3.3326 3.3358 3.8574 3.8624 4.0564 4.0567 6.4563 6.4579 8.4979 8.5007 10.0214 10.0246 11.2639 11.2740 k = 0.0000 0.3088 0.2269 ( 8297 PWs) bands (ev): -40.8671 -40.8671 -14.4270 -14.4259 -13.3081 -13.3081 -12.5605 -12.5565 -12.3509 -12.3441 -4.2750 -4.2744 -1.7168 -1.6933 -0.8755 -0.8747 -0.2915 -0.2662 0.1442 0.1443 1.0584 1.0656 2.0123 2.0172 2.6475 2.6584 2.8696 2.8749 3.3650 3.3683 3.8207 3.8258 4.0614 4.0616 6.4285 6.4296 8.5232 8.5235 10.0065 10.0103 11.2761 11.2844 k = 0.0000 0.2969 0.2181 ( 8303 PWs) bands (ev): -40.8671 -40.8671 -14.4477 -14.4467 -13.3036 -13.3036 -12.5503 -12.5464 -12.3348 -12.3281 -4.2780 -4.2774 -1.6655 -1.6409 -0.8859 -0.8850 -0.3344 -0.3089 0.1777 0.1777 1.0296 1.0369 1.9577 1.9626 2.6916 2.7024 2.8324 2.8378 3.3966 3.4002 3.7830 3.7881 4.0663 4.0665 6.3991 6.3998 8.5278 8.5300 10.0089 10.0135 11.2893 11.2959 k = 0.0000 0.2850 0.2094 ( 8307 PWs) bands (ev): -40.8672 -40.8672 -14.4681 -14.4670 -13.2991 -13.2990 -12.5401 -12.5363 -12.3191 -12.3125 -4.2816 -4.2811 -1.6125 -1.5869 -0.8962 -0.8952 -0.3749 -0.3493 0.2122 0.2123 0.9999 1.0072 1.9027 1.9073 2.7380 2.7488 2.7954 2.8008 3.4275 3.4314 3.7444 3.7495 4.0713 4.0715 6.3683 6.3687 8.5134 8.5180 10.0293 10.0346 11.3033 11.3083 k = 0.0000 0.2732 0.2007 ( 8303 PWs) bands (ev): -40.8672 -40.8672 -14.4880 -14.4870 -13.2945 -13.2945 -12.5299 -12.5261 -12.3038 -12.2974 -4.2858 -4.2854 -1.5582 -1.5316 -0.9066 -0.9055 -0.4128 -0.3871 0.2475 0.2477 0.9694 0.9768 1.8474 1.8519 2.7585 2.7640 2.7864 2.7973 3.4577 3.4618 3.7050 3.7102 4.0763 4.0764 6.3362 6.3363 8.4815 8.4882 10.0664 10.0723 11.3178 11.3214 k = 0.0000 0.2613 0.1920 ( 8299 PWs) bands (ev): -40.8672 -40.8672 -14.5073 -14.5064 -13.2900 -13.2900 -12.5197 -12.5160 -12.2891 -12.2827 -4.2906 -4.2903 -1.5026 -1.4750 -0.9169 -0.9157 -0.4481 -0.4222 0.2836 0.2840 0.9381 0.9455 1.7923 1.7965 2.7219 2.7275 2.8364 2.8473 3.4869 3.4913 3.6650 3.6702 4.0812 4.0814 6.3028 6.3031 8.4347 8.4431 10.1178 10.1240 11.3326 11.3350 k = 0.0000 0.2494 0.1832 ( 8307 PWs) bands (ev): -40.8672 -40.8672 -14.5261 -14.5252 -13.2856 -13.2856 -12.5096 -12.5059 -12.2749 -12.2687 -4.2960 -4.2957 -1.4460 -1.4174 -0.9271 -0.9258 -0.4806 -0.4546 0.3205 0.3209 0.9060 0.9134 1.7375 1.7414 2.6859 2.6915 2.8878 2.8987 3.5153 3.5200 3.6245 3.6297 4.0861 4.0862 6.2684 6.2691 8.3760 8.3856 10.1806 10.1867 11.3476 11.3488 k = 0.0000 0.2375 0.1745 ( 8303 PWs) bands (ev): -40.8672 -40.8672 -14.5443 -14.5435 -13.2812 -13.2812 -12.4996 -12.4960 -12.2612 -12.2552 -4.3019 -4.3017 -1.3885 -1.3588 -0.9371 -0.9357 -0.5102 -0.4840 0.3579 0.3584 0.8733 0.8807 1.6834 1.6870 2.6504 2.6561 2.9402 2.9512 3.5426 3.5476 3.5836 3.5888 4.0908 4.0910 6.2332 6.2341 8.3082 8.3189 10.2516 10.2575 11.3625 11.3627 k = 0.0000 0.2257 0.1658 ( 8311 PWs) bands (ev): -40.8672 -40.8672 -14.5619 -14.5611 -13.2769 -13.2769 -12.4898 -12.4863 -12.2481 -12.2422 -4.3083 -4.3082 -1.3304 -1.2997 -0.9469 -0.9453 -0.5368 -0.5106 0.3957 0.3963 0.8399 0.8474 1.6301 1.6333 2.6156 2.6213 2.9934 3.0046 3.5425 3.5476 3.5690 3.5745 4.0955 4.0956 6.1972 6.1984 8.2342 8.2456 10.3282 10.3336 11.3765 11.3772 k = 0.0000 0.2138 0.1571 ( 8299 PWs) bands (ev): -40.8672 -40.8672 -14.5788 -14.5780 -13.2727 -13.2727 -12.4801 -12.4767 -12.2356 -12.2299 -4.3152 -4.3150 -1.2720 -1.2402 -0.9565 -0.9547 -0.5605 -0.5341 0.4338 0.4345 0.8059 0.8135 1.5778 1.5807 2.5816 2.5873 3.0471 3.0585 3.5014 3.5065 3.5942 3.6000 4.1000 4.1002 6.1606 6.1621 8.1562 8.1681 10.4080 10.4128 11.3901 11.3917 k = 0.0000 0.2019 0.1483 ( 8303 PWs) bands (ev): -40.8672 -40.8672 -14.5949 -14.5942 -13.2687 -13.2686 -12.4707 -12.4674 -12.2237 -12.2183 -4.3223 -4.3223 -1.2135 -1.1806 -0.9658 -0.9638 -0.5811 -0.5546 0.4721 0.4728 0.7716 0.7792 1.5267 1.5292 2.5485 2.5542 3.1012 3.1127 3.4604 3.4655 3.6182 3.6245 4.1044 4.1045 6.1233 6.1251 8.0760 8.0883 10.4891 10.4932 11.4033 11.4057 k = 0.0000 0.1900 0.1396 ( 8295 PWs) bands (ev): -40.8672 -40.8672 -14.6103 -14.6096 -13.2647 -13.2647 -12.4615 -12.4583 -12.2125 -12.2072 -4.3298 -4.3298 -1.1554 -1.1213 -0.9748 -0.9723 -0.5986 -0.5720 0.5103 0.5110 0.7368 0.7447 1.4769 1.4791 2.5164 2.5221 3.1553 3.1670 3.4198 3.4248 3.6410 3.6478 4.1086 4.1087 6.0856 6.0876 7.9953 8.0077 10.5700 10.5734 11.4162 11.4192 k = 0.0000 0.1782 0.1309 ( 8295 PWs) bands (ev): -40.8672 -40.8672 -14.6249 -14.6242 -13.2609 -13.2609 -12.4526 -12.4496 -12.2019 -12.1968 -4.3375 -4.3374 -1.0984 -1.0626 -0.9833 -0.9800 -0.6130 -0.5864 0.5482 0.5489 0.7019 0.7100 1.4287 1.4305 2.4855 2.4911 3.2092 3.2211 3.3797 3.3846 3.6625 3.6699 4.1126 4.1128 6.0475 6.0497 7.9153 7.9277 10.6495 10.6520 11.4284 11.4320 k = 0.0000 0.1663 0.1222 ( 8297 PWs) bands (ev): -40.8673 -40.8672 -14.6386 -14.6380 -13.2573 -13.2573 -12.4441 -12.4412 -12.1919 -12.1871 -4.3452 -4.3452 -1.0445 -1.0060 -0.9906 -0.9853 -0.6241 -0.5975 0.5854 0.5862 0.6673 0.6755 1.3821 1.3835 2.4557 2.4613 3.2626 3.2748 3.3405 3.3452 3.6827 3.6906 4.1164 4.1166 6.0092 6.0115 7.8371 7.8494 10.7264 10.7282 11.4400 11.4442 k = 0.0000 0.1544 0.1134 ( 8297 PWs) bands (ev): -40.8673 -40.8673 -14.6515 -14.6510 -13.2538 -13.2538 -12.4360 -12.4332 -12.1826 -12.1781 -4.3530 -4.3529 -1.0097 -0.9998 -0.9727 -0.9488 -0.6319 -0.6054 0.6177 0.6196 0.6370 0.6443 1.3372 1.3384 2.4272 2.4327 3.3021 3.3067 3.3153 3.3278 3.7016 3.7101 4.1200 4.1202 5.9708 5.9733 7.7616 7.7736 10.8001 10.8010 11.4508 11.4554 k = 0.0000 0.1425 0.1047 ( 8301 PWs) bands (ev): -40.8673 -40.8673 -14.6636 -14.6631 -13.2506 -13.2506 -12.4283 -12.4257 -12.1739 -12.1697 -4.3607 -4.3606 -1.0094 -1.0070 -0.9275 -0.8960 -0.6357 -0.6097 0.5955 0.6036 0.6607 0.6621 1.2943 1.2952 2.4002 2.4055 3.2652 3.2697 3.3667 3.3796 3.7189 3.7281 4.1234 4.1236 5.9325 5.9351 7.6896 7.7011 10.8699 10.8700 11.4608 11.4658 k = 0.0000 0.1306 0.0960 ( 8305 PWs) bands (ev): -40.8673 -40.8673 -14.6748 -14.6743 -13.2475 -13.2475 -12.4210 -12.4186 -12.1659 -12.1620 -4.3682 -4.3681 -1.0148 -1.0137 -0.8796 -0.8472 -0.6350 -0.6101 0.5620 0.5707 0.6951 0.6963 1.2535 1.2542 2.3746 2.3798 3.2298 3.2341 3.4168 3.4301 3.7348 3.7447 4.1265 4.1267 5.8946 5.8972 7.6217 7.6327 10.9345 10.9351 11.4700 11.4753 k = 0.0000 0.1188 0.0873 ( 8309 PWs) bands (ev): -40.8673 -40.8673 -14.6850 -14.6846 -13.2447 -13.2447 -12.4143 -12.4120 -12.1586 -12.1550 -4.3755 -4.3753 -1.0205 -1.0200 -0.8354 -0.8043 -0.6283 -0.6058 0.5291 0.5380 0.7286 0.7296 1.2149 1.2153 2.3506 2.3556 3.1962 3.2003 3.4652 3.4789 3.7492 3.7599 4.1294 4.1296 5.8574 5.8600 7.5584 7.5688 10.9943 10.9956 11.4781 11.4837 k = 0.0000 0.1069 0.0785 ( 8309 PWs) bands (ev): -40.8673 -40.8673 -14.6944 -14.6940 -13.2421 -13.2421 -12.4080 -12.4060 -12.1520 -12.1487 -4.3823 -4.3822 -1.0260 -1.0258 -0.7972 -0.7699 -0.6141 -0.5960 0.4972 0.5064 0.7604 0.7614 1.1787 1.1790 2.3283 2.3330 3.1647 3.1685 3.5114 3.5256 3.7619 3.7734 4.1321 4.1323 5.8213 5.8238 7.5003 7.5099 11.0490 11.0509 11.4853 11.4910 k = 0.0000 0.0950 0.0698 ( 8305 PWs) bands (ev): -40.8673 -40.8673 -14.7027 -14.7024 -13.2397 -13.2397 -12.4023 -12.4005 -12.1460 -12.1431 -4.3887 -4.3886 -1.0310 -1.0310 -0.7664 -0.7452 -0.5917 -0.5801 0.4670 0.4762 0.7901 0.7911 1.1451 1.1454 2.3079 2.3123 3.1355 3.1391 3.5550 3.5698 3.7730 3.7854 4.1345 4.1347 5.7868 5.7892 7.4476 7.4565 11.0984 11.1008 11.4916 11.4972 k = 0.0000 0.0831 0.0611 ( 8301 PWs) bands (ev): -40.8673 -40.8673 -14.7102 -14.7099 -13.2376 -13.2376 -12.3972 -12.3956 -12.1408 -12.1381 -4.3946 -4.3944 -1.0356 -1.0356 -0.7433 -0.7288 -0.5635 -0.5586 0.4387 0.4479 0.8176 0.8185 1.1145 1.1146 2.2894 2.2934 3.1090 3.1123 3.5957 3.6110 3.7823 3.7956 4.1366 4.1368 5.7543 5.7565 7.4007 7.4087 11.1425 11.1452 11.4968 11.5023 k = 0.0000 0.0713 0.0524 ( 8293 PWs) bands (ev): -40.8673 -40.8673 -14.7166 -14.7164 -13.2358 -13.2358 -12.3928 -12.3913 -12.1361 -12.1339 -4.3998 -4.3997 -1.0397 -1.0396 -0.7269 -0.7180 -0.5334 -0.5329 0.4128 0.4218 0.8423 0.8432 1.0870 1.0871 2.2730 2.2766 3.0855 3.0883 3.6330 3.6488 3.7898 3.8040 4.1385 4.1386 5.7244 5.7264 7.3599 7.3668 11.1811 11.1840 11.5010 11.5063 k = 0.0000 0.0594 0.0436 ( 8301 PWs) bands (ev): -40.8673 -40.8673 -14.7221 -14.7219 -13.2342 -13.2342 -12.3889 -12.3877 -12.1322 -12.1303 -4.4044 -4.4043 -1.0431 -1.0430 -0.7156 -0.7105 -0.5071 -0.5033 0.3899 0.3983 0.8640 0.8647 1.0630 1.0631 2.2589 2.2620 3.0651 3.0676 3.6665 3.6828 3.7955 3.8104 4.1400 4.1402 5.6978 5.6995 7.3252 7.3311 11.2141 11.2170 11.5043 11.5092 k = 0.0000 0.0475 0.0349 ( 8301 PWs) bands (ev): -40.8673 -40.8673 -14.7266 -14.7264 -13.2329 -13.2329 -12.3857 -12.3847 -12.1290 -12.1274 -4.4082 -4.4081 -1.0459 -1.0458 -0.7077 -0.7051 -0.4821 -0.4769 0.3705 0.3779 0.8822 0.8829 1.0428 1.0429 2.2471 2.2497 3.0482 3.0502 3.6958 3.7123 3.7993 3.8146 4.1413 4.1415 5.6749 5.6764 7.2968 7.3016 11.2415 11.2442 11.5069 11.5112 k = 0.0000 0.0356 0.0262 ( 8301 PWs) bands (ev): -40.8673 -40.8673 -14.7301 -14.7300 -13.2319 -13.2319 -12.3832 -12.3824 -12.1264 -12.1253 -4.4112 -4.4111 -1.0481 -1.0480 -0.7023 -0.7012 -0.4604 -0.4553 0.3550 0.3610 0.8968 0.8973 1.0267 1.0268 2.2379 2.2399 3.0348 3.0363 3.7207 3.7367 3.8014 3.8165 4.1424 4.1425 5.6565 5.6576 7.2748 7.2784 11.2632 11.2655 11.5088 11.5123 k = 0.0000 0.0238 0.0175 ( 8303 PWs) bands (ev): -40.8673 -40.8673 -14.7326 -14.7325 -13.2312 -13.2312 -12.3813 -12.3808 -12.1245 -12.1237 -4.4134 -4.4133 -1.0497 -1.0496 -0.6988 -0.6984 -0.4435 -0.4394 0.3439 0.3482 0.9074 0.9077 1.0150 1.0151 2.2313 2.2327 3.0252 3.0263 3.7408 3.7548 3.8024 3.8159 4.1431 4.1432 5.6430 5.6437 7.2592 7.2617 11.2790 11.2807 11.5102 11.5126 k = 0.0000 0.0119 0.0087 ( 8317 PWs) bands (ev): -40.8673 -40.8673 -14.7341 -14.7341 -13.2308 -13.2308 -12.3801 -12.3799 -12.1233 -12.1229 -4.4147 -4.4147 -1.0506 -1.0506 -0.6968 -0.6967 -0.4324 -0.4302 0.3376 0.3398 0.9139 0.9140 1.0079 1.0080 2.2275 2.2282 3.0195 3.0200 3.7558 3.7647 3.8042 3.8129 4.1436 4.1436 5.6348 5.6352 7.2501 7.2514 11.2887 11.2896 11.5112 11.5125 k = 0.0000 0.0000 0.0000 ( 8321 PWs) bands (ev): -40.8673 -40.8673 -14.7346 -14.7346 -13.2306 -13.2306 -12.3797 -12.3797 -12.1228 -12.1228 -4.4151 -4.4151 -1.0509 -1.0509 -0.6961 -0.6961 -0.4278 -0.4278 0.3362 0.3362 0.9161 0.9161 1.0056 1.0056 2.2264 2.2264 3.0178 3.0178 3.7644 3.7644 3.8083 3.8083 4.1437 4.1437 5.6322 5.6322 7.2475 7.2475 11.2923 11.2923 11.5120 11.5120 k = 0.0000 0.0000 0.0000 ( 8321 PWs) bands (ev): -40.8673 -40.8673 -14.7346 -14.7346 -13.2306 -13.2306 -12.3797 -12.3797 -12.1228 -12.1228 -4.4151 -4.4151 -1.0509 -1.0509 -0.6961 -0.6961 -0.4278 -0.4278 0.3362 0.3362 0.9161 0.9161 1.0056 1.0056 2.2264 2.2264 3.0178 3.0178 3.7644 3.7644 3.8083 3.8083 4.1437 4.1437 5.6322 5.6322 7.2475 7.2475 11.2923 11.2923 11.5120 11.5120 k = 0.0109 0.0060-0.0081 ( 8303 PWs) bands (ev): -40.8673 -40.8673 -14.7342 -14.7342 -13.2308 -13.2308 -12.3798 -12.3798 -12.1232 -12.1232 -4.4155 -4.4155 -1.0505 -1.0505 -0.6954 -0.6954 -0.4270 -0.4270 0.3354 0.3354 0.9173 0.9173 1.0068 1.0068 2.2227 2.2227 3.0218 3.0218 3.7634 3.7634 3.8039 3.8039 4.1432 4.1432 5.6367 5.6367 7.2491 7.2491 11.2927 11.2927 11.5099 11.5099 k = 0.0217 0.0119-0.0162 ( 8305 PWs) bands (ev): -40.8673 -40.8673 -14.7330 -14.7330 -13.2312 -13.2312 -12.3804 -12.3804 -12.1245 -12.1245 -4.4164 -4.4164 -1.0493 -1.0493 -0.6931 -0.6931 -0.4245 -0.4245 0.3332 0.3332 0.9208 0.9208 1.0104 1.0104 2.2118 2.2118 3.0336 3.0336 3.7596 3.7596 3.7912 3.7912 4.1417 4.1417 5.6501 5.6501 7.2538 7.2538 11.2939 11.2939 11.5035 11.5035 k = 0.0326 0.0179-0.0243 ( 8309 PWs) bands (ev): -40.8673 -40.8673 -14.7309 -14.7309 -13.2319 -13.2319 -12.3813 -12.3813 -12.1267 -12.1267 -4.4180 -4.4180 -1.0473 -1.0473 -0.6894 -0.6894 -0.4202 -0.4202 0.3295 0.3295 0.9266 0.9266 1.0164 1.0164 2.1943 2.1943 3.0524 3.0524 3.7501 3.7501 3.7740 3.7740 4.1392 4.1392 5.6720 5.6720 7.2616 7.2616 11.2958 11.2958 11.4928 11.4928 k = 0.0435 0.0238-0.0324 ( 8311 PWs) bands (ev): -40.8673 -40.8673 -14.7281 -14.7281 -13.2328 -13.2328 -12.3826 -12.3826 -12.1298 -12.1298 -4.4203 -4.4203 -1.0445 -1.0445 -0.6842 -0.6842 -0.4143 -0.4143 0.3244 0.3244 0.9348 0.9348 1.0247 1.0247 2.1712 2.1712 3.0776 3.0776 3.7265 3.7265 3.7612 3.7612 4.1358 4.1358 5.7017 5.7017 7.2724 7.2724 11.2986 11.2986 11.4779 11.4779 k = 0.0543 0.0298-0.0405 ( 8309 PWs) bands (ev): -40.8673 -40.8673 -14.7245 -14.7245 -13.2340 -13.2340 -12.3843 -12.3843 -12.1337 -12.1337 -4.4232 -4.4232 -1.0409 -1.0409 -0.6776 -0.6776 -0.4068 -0.4068 0.3179 0.3179 0.9452 0.9452 1.0355 1.0355 2.1433 2.1433 3.1079 3.1079 3.6899 3.6899 3.7523 3.7523 4.1313 4.1313 5.7384 5.7384 7.2861 7.2861 11.3021 11.3021 11.4587 11.4587 k = 0.0652 0.0357-0.0486 ( 8321 PWs) bands (ev): -40.8673 -40.8673 -14.7201 -14.7201 -13.2355 -13.2355 -12.3863 -12.3863 -12.1385 -12.1385 -4.4266 -4.4266 -1.0365 -1.0365 -0.6696 -0.6696 -0.3976 -0.3976 0.3102 0.3102 0.9579 0.9579 1.0486 1.0486 2.1118 2.1118 3.1425 3.1425 3.6452 3.6452 3.7436 3.7436 4.1259 4.1259 5.7811 5.7811 7.3026 7.3026 11.3065 11.3065 11.4354 11.4354 k = 0.0761 0.0417-0.0567 ( 8321 PWs) bands (ev): -40.8673 -40.8673 -14.7149 -14.7149 -13.2373 -13.2373 -12.3886 -12.3886 -12.1442 -12.1442 -4.4307 -4.4307 -1.0314 -1.0314 -0.6602 -0.6602 -0.3869 -0.3869 0.3013 0.3013 0.9727 0.9727 1.0641 1.0641 2.0773 2.0773 3.1805 3.1805 3.5943 3.5943 3.7339 3.7339 4.1196 4.1196 5.8290 5.8290 7.3218 7.3218 11.3116 11.3116 11.4079 11.4079 k = 0.0870 0.0476-0.0648 ( 8325 PWs) bands (ev): -40.8673 -40.8673 -14.7089 -14.7089 -13.2393 -13.2393 -12.3913 -12.3913 -12.1506 -12.1506 -4.4353 -4.4353 -1.0255 -1.0255 -0.6495 -0.6495 -0.3746 -0.3746 0.2914 0.2914 0.9898 0.9898 1.0818 1.0818 2.0407 2.0407 3.2211 3.2211 3.5383 3.5383 3.7230 3.7230 4.1124 4.1124 5.8813 5.8813 7.3435 7.3435 11.3175 11.3175 11.3763 11.3763 k = 0.0978 0.0536-0.0730 ( 8337 PWs) bands (ev): -40.8673 -40.8673 -14.7022 -14.7022 -13.2415 -13.2415 -12.3943 -12.3943 -12.1579 -12.1579 -4.4404 -4.4404 -1.0189 -1.0189 -0.6376 -0.6376 -0.3608 -0.3608 0.2806 0.2806 1.0089 1.0089 1.1019 1.1019 2.0025 2.0025 3.2638 3.2638 3.4781 3.4781 3.7109 3.7109 4.1043 4.1043 5.9371 5.9371 7.3675 7.3675 11.3241 11.3241 11.3407 11.3407 k = 0.1087 0.0596-0.0811 ( 8341 PWs) bands (ev): -40.8673 -40.8673 -14.6948 -14.6948 -13.2439 -13.2439 -12.3976 -12.3976 -12.1660 -12.1660 -4.4460 -4.4460 -1.0117 -1.0117 -0.6245 -0.6245 -0.3456 -0.3456 0.2690 0.2690 1.0301 1.0301 1.1241 1.1241 1.9633 1.9633 3.3081 3.3081 3.4144 3.4144 3.6975 3.6975 4.0954 4.0954 5.9957 5.9957 7.3937 7.3937 11.3005 11.3005 11.3321 11.3321 k = 0.1196 0.0655-0.0892 ( 8341 PWs) bands (ev): -40.8673 -40.8673 -14.6866 -14.6866 -13.2466 -13.2466 -12.4012 -12.4012 -12.1749 -12.1749 -4.4521 -4.4521 -1.0037 -1.0037 -0.6103 -0.6103 -0.3290 -0.3290 0.2568 0.2568 1.0533 1.0533 1.1486 1.1486 1.9233 1.9233 3.3478 3.3478 3.3535 3.3535 3.6828 3.6828 4.0856 4.0856 6.0565 6.0565 7.4219 7.4219 11.2570 11.2570 11.3404 11.3404 k = 0.1304 0.0715-0.0973 ( 8345 PWs) bands (ev): -40.8673 -40.8673 -14.6778 -14.6778 -13.2494 -13.2494 -12.4050 -12.4050 -12.1845 -12.1845 -4.4586 -4.4586 -0.9951 -0.9951 -0.5951 -0.5951 -0.3111 -0.3111 0.2441 0.2441 1.0783 1.0783 1.1752 1.1752 1.8829 1.8829 3.2789 3.2789 3.3997 3.3997 3.6670 3.6670 4.0751 4.0751 6.1188 6.1188 7.4518 7.4518 11.2095 11.2095 11.3495 11.3495 k = 0.1413 0.0774-0.1054 ( 8357 PWs) bands (ev): -40.8673 -40.8673 -14.6682 -14.6682 -13.2525 -13.2525 -12.4091 -12.4091 -12.1948 -12.1948 -4.4655 -4.4655 -0.9858 -0.9858 -0.5789 -0.5789 -0.2919 -0.2919 0.2310 0.2310 1.1052 1.1052 1.2039 1.2039 1.8425 1.8425 3.2082 3.2082 3.4463 3.4463 3.6499 3.6499 4.0639 4.0639 6.1822 6.1822 7.4834 7.4834 11.1582 11.1582 11.3594 11.3594 k = 0.1522 0.0834-0.1135 ( 8345 PWs) bands (ev): -40.8672 -40.8672 -14.6581 -14.6581 -13.2557 -13.2557 -12.4134 -12.4134 -12.2059 -12.2059 -4.4728 -4.4728 -0.9760 -0.9760 -0.5619 -0.5619 -0.2715 -0.2715 0.2178 0.2178 1.1338 1.1338 1.2346 1.2346 1.8021 1.8021 3.1361 3.1361 3.4933 3.4933 3.6317 3.6317 4.0519 4.0519 6.2461 6.2461 7.5164 7.5164 11.1034 11.1034 11.3701 11.3701 k = 0.1630 0.0893-0.1216 ( 8341 PWs) bands (ev): -40.8672 -40.8672 -14.6473 -14.6473 -13.2591 -13.2591 -12.4179 -12.4179 -12.2176 -12.2176 -4.4803 -4.4803 -0.9657 -0.9657 -0.5441 -0.5441 -0.2500 -0.2500 0.2046 0.2046 1.1640 1.1640 1.2672 1.2672 1.7621 1.7621 3.0630 3.0630 3.5402 3.5402 3.6124 3.6124 4.0394 4.0394 6.3102 6.3102 7.5506 7.5506 11.0452 11.0452 11.3815 11.3815 k = 0.1739 0.0953-0.1297 ( 8345 PWs) bands (ev): -40.8672 -40.8672 -14.6360 -14.6360 -13.2626 -13.2626 -12.4226 -12.4226 -12.2299 -12.2299 -4.4882 -4.4882 -0.9548 -0.9548 -0.5256 -0.5256 -0.2275 -0.2275 0.1915 0.1915 1.1957 1.1957 1.3017 1.3017 1.7224 1.7224 2.9892 2.9892 3.5869 3.5869 3.5921 3.5922 4.0262 4.0262 6.3741 6.3741 7.5859 7.5859 10.9836 10.9836 11.3936 11.3936 k = 0.1848 0.1012-0.1378 ( 8345 PWs) bands (ev): -40.8672 -40.8672 -14.6241 -14.6241 -13.2662 -13.2662 -12.4275 -12.4275 -12.2429 -12.2429 -4.4963 -4.4963 -0.9435 -0.9435 -0.5066 -0.5066 -0.2040 -0.2040 0.1787 0.1787 1.2288 1.2288 1.3380 1.3380 1.6834 1.6834 2.9150 2.9150 3.5706 3.5706 3.6336 3.6336 4.0126 4.0126 6.4375 6.4375 7.6220 7.6220 10.9191 10.9191 11.4064 11.4064 k = 0.1957 0.1072-0.1459 ( 8345 PWs) bands (ev): -40.8672 -40.8672 -14.6117 -14.6117 -13.2699 -13.2699 -12.4325 -12.4325 -12.2564 -12.2564 -4.5045 -4.5045 -0.9317 -0.9317 -0.4871 -0.4871 -0.1796 -0.1796 0.1663 0.1663 1.2631 1.2631 1.3759 1.3759 1.6450 1.6450 2.8407 2.8407 3.5483 3.5483 3.6797 3.6797 3.9984 3.9984 6.5000 6.5000 7.6589 7.6589 10.8517 10.8517 11.4198 11.4198 k = 0.2065 0.1131-0.1540 ( 8353 PWs) bands (ev): -40.8672 -40.8672 -14.5988 -14.5988 -13.2737 -13.2737 -12.4376 -12.4376 -12.2704 -12.2704 -4.5129 -4.5129 -0.9196 -0.9196 -0.4673 -0.4673 -0.1545 -0.1545 0.1545 0.1545 1.2986 1.2986 1.4154 1.4154 1.6074 1.6074 2.7665 2.7665 3.5251 3.5251 3.7251 3.7251 3.9839 3.9839 6.5613 6.5613 7.6963 7.6963 10.7817 10.7817 11.4337 11.4337 k = 0.2174 0.1191-0.1621 ( 8345 PWs) bands (ev): -40.8672 -40.8672 -14.5855 -14.5855 -13.2776 -13.2776 -12.4428 -12.4428 -12.2849 -12.2849 -4.5215 -4.5215 -0.9072 -0.9072 -0.4472 -0.4472 -0.1287 -0.1287 0.1434 0.1434 1.3350 1.3350 1.4563 1.4563 1.5708 1.5708 2.6926 2.6926 3.5011 3.5011 3.7699 3.7699 3.9691 3.9691 6.6212 6.6212 7.7342 7.7342 10.7094 10.7094 11.4480 11.4480 k = 0.2283 0.1251-0.1702 ( 8337 PWs) bands (ev): -40.8671 -40.8671 -14.5718 -14.5718 -13.2815 -13.2815 -12.4481 -12.4481 -12.2997 -12.2997 -4.5301 -4.5301 -0.8944 -0.8944 -0.4270 -0.4270 -0.1024 -0.1024 0.1330 0.1330 1.3722 1.3722 1.4982 1.4982 1.5354 1.5354 2.6193 2.6193 3.4764 3.4764 3.8138 3.8138 3.9539 3.9539 6.6795 6.6795 7.7723 7.7723 10.6351 10.6351 11.4617 11.4618 k = 0.2391 0.1310-0.1783 ( 8337 PWs) bands (ev): -40.8671 -40.8671 -14.5578 -14.5578 -13.2855 -13.2855 -12.4534 -12.4534 -12.3150 -12.3150 -4.5387 -4.5387 -0.8815 -0.8815 -0.4068 -0.4068 -0.0755 -0.0755 0.1236 0.1236 1.4100 1.4100 1.4998 1.4998 1.5427 1.5427 2.5467 2.5467 3.4511 3.4511 3.8568 3.8568 3.9386 3.9386 6.7359 6.7359 7.8107 7.8107 10.5591 10.5591 11.4330 11.4330 k = 0.2500 0.1370-0.1864 ( 8349 PWs) bands (ev): -40.8671 -40.8671 -14.5435 -14.5435 -13.2895 -13.2895 -12.4587 -12.4587 -12.3305 -12.3305 -4.5473 -4.5473 -0.8684 -0.8684 -0.3867 -0.3867 -0.0484 -0.0484 0.1152 0.1152 1.4465 1.4465 1.4683 1.4683 1.5868 1.5868 2.4750 2.4750 3.4252 3.4252 3.8988 3.8988 3.9232 3.9232 6.7902 6.7902 7.8491 7.8491 10.4818 10.4818 11.3647 11.3647 k = 0.2609 0.1429-0.1945 ( 8349 PWs) bands (ev): -40.8671 -40.8671 -14.5290 -14.5290 -13.2934 -13.2934 -12.4640 -12.4640 -12.3463 -12.3463 -4.5558 -4.5558 -0.8552 -0.8552 -0.3667 -0.3667 -0.0210 -0.0210 0.1079 0.1079 1.4323 1.4323 1.4888 1.4888 1.6320 1.6320 2.4045 2.4045 3.3988 3.3988 3.9077 3.9077 3.9396 3.9396 6.8423 6.8423 7.8874 7.8874 10.4034 10.4034 11.2953 11.2953 k = 0.2717 0.1489-0.2026 ( 8349 PWs) bands (ev): -40.8671 -40.8671 -14.5143 -14.5143 -13.2974 -13.2974 -12.4692 -12.4692 -12.3623 -12.3623 -4.5643 -4.5643 -0.8420 -0.8420 -0.3471 -0.3471 0.0064 0.0064 0.1019 0.1019 1.4013 1.4013 1.5273 1.5273 1.6779 1.6779 2.3352 2.3352 3.3721 3.3721 3.8922 3.8922 3.9792 3.9792 6.8921 6.8921 7.9255 7.9255 10.3245 10.3245 11.2260 11.2260 k = 0.2826 0.1548-0.2107 ( 8349 PWs) bands (ev): -40.8671 -40.8671 -14.4996 -14.4996 -13.3013 -13.3013 -12.4745 -12.4745 -12.3783 -12.3783 -4.5726 -4.5726 -0.8287 -0.8287 -0.3278 -0.3278 0.0334 0.0334 0.0974 0.0974 1.3712 1.3712 1.5662 1.5662 1.7243 1.7243 2.2674 2.2674 3.3452 3.3452 3.8769 3.8769 4.0176 4.0176 6.9394 6.9394 7.9633 7.9633 10.2453 10.2453 11.1570 11.1570 k = 0.2935 0.1608-0.2189 ( 8321 PWs) bands (ev): -40.8670 -40.8670 -14.4848 -14.4848 -13.3051 -13.3051 -12.4796 -12.4796 -12.3944 -12.3944 -4.5808 -4.5808 -0.8156 -0.8156 -0.3091 -0.3091 0.0590 0.0590 0.0953 0.0953 1.3423 1.3423 1.6050 1.6050 1.7709 1.7709 2.2012 2.2012 3.3181 3.3181 3.8618 3.8618 4.0546 4.0546 6.9842 6.9842 8.0006 8.0006 10.1662 10.1662 11.0887 11.0887 k = 0.3043 0.1667-0.2270 ( 8309 PWs) bands (ev): -40.8670 -40.8670 -14.4700 -14.4700 -13.3089 -13.3089 -12.4846 -12.4846 -12.4104 -12.4104 -4.5887 -4.5887 -0.8026 -0.8026 -0.2909 -0.2909 0.0775 0.0775 0.1014 0.1014 1.3146 1.3146 1.6434 1.6434 1.8176 1.8176 2.1369 2.1369 3.2911 3.2911 3.8469 3.8469 4.0901 4.0901 7.0263 7.0263 8.0374 8.0374 10.0877 10.0877 11.0214 11.0214 k = 0.3152 0.1727-0.2351 ( 8305 PWs) bands (ev): -40.8670 -40.8670 -14.4553 -14.4553 -13.3126 -13.3126 -12.4895 -12.4895 -12.4263 -12.4263 -4.5964 -4.5964 -0.7898 -0.7898 -0.2733 -0.2733 0.0821 0.0821 0.1221 0.1221 1.2882 1.2882 1.6812 1.6812 1.8640 1.8640 2.0745 2.0745 3.2641 3.2641 3.8324 3.8324 4.1241 4.1241 7.0659 7.0659 8.0735 8.0735 10.0102 10.0102 10.9555 10.9555 k = 0.3261 0.1787-0.2432 ( 8297 PWs) bands (ev): -40.8670 -40.8670 -14.4409 -14.4409 -13.3161 -13.3161 -12.4943 -12.4943 -12.4420 -12.4420 -4.6039 -4.6039 -0.7773 -0.7773 -0.2563 -0.2563 0.0829 0.0829 0.1472 0.1472 1.2632 1.2632 1.7183 1.7183 1.9101 1.9101 2.0143 2.0143 3.2374 3.2374 3.8183 3.8183 4.1565 4.1565 7.1027 7.1027 8.1087 8.1087 9.9341 9.9341 10.8913 10.8913 k = 0.3370 0.1846-0.2513 ( 8297 PWs) bands (ev): -40.8670 -40.8670 -14.4267 -14.4267 -13.3195 -13.3195 -12.4989 -12.4989 -12.4573 -12.4573 -4.6110 -4.6110 -0.7651 -0.7651 -0.2401 -0.2401 0.0836 0.0836 0.1727 0.1727 1.2396 1.2396 1.7543 1.7543 1.9530 1.9531 1.9587 1.9587 3.2111 3.2111 3.8047 3.8047 4.1873 4.1873 7.1369 7.1369 8.1429 8.1429 9.8598 9.8598 10.8290 10.8290 k = 0.3478 0.1906-0.2594 ( 8289 PWs) bands (ev): -40.8670 -40.8670 -14.4128 -14.4128 -13.3228 -13.3228 -12.5034 -12.5034 -12.4723 -12.4722 -4.6179 -4.6179 -0.7534 -0.7534 -0.2247 -0.2247 0.0848 0.0848 0.1978 0.1978 1.2173 1.2173 1.7891 1.7891 1.9008 1.9008 2.0000 2.0000 3.1853 3.1853 3.7917 3.7917 4.2163 4.2163 7.1684 7.1684 8.1759 8.1759 9.7878 9.7878 10.7690 10.7690 k = 0.3587 0.1965-0.2675 ( 8289 PWs) bands (ev): -40.8670 -40.8670 -14.3994 -14.3994 -13.3259 -13.3259 -12.5078 -12.5077 -12.4866 -12.4866 -4.6243 -4.6243 -0.7421 -0.7421 -0.2099 -0.2099 0.0867 0.0867 0.2222 0.2222 1.1965 1.1965 1.8223 1.8223 1.8483 1.8483 2.0432 2.0432 3.1601 3.1601 3.7793 3.7793 4.2436 4.2436 7.1974 7.1974 8.2076 8.2076 9.7184 9.7184 10.7115 10.7115 k = 0.3696 0.2025-0.2756 ( 8297 PWs) bands (ev): -40.8669 -40.8669 -14.3865 -14.3865 -13.3289 -13.3289 -12.5122 -12.5122 -12.5000 -12.5000 -4.6304 -4.6304 -0.7313 -0.7313 -0.1960 -0.1960 0.0890 0.0891 0.2456 0.2456 1.1772 1.1772 1.7978 1.7978 1.8548 1.8548 2.0849 2.0849 3.1358 3.1358 3.7677 3.7677 4.2691 4.2691 7.2238 7.2238 8.2378 8.2378 9.6521 9.6521 10.6569 10.6569 k = 0.3804 0.2084-0.2837 ( 8301 PWs) bands (ev): -40.8669 -40.8669 -14.3742 -14.3742 -13.3317 -13.3317 -12.5183 -12.5182 -12.5110 -12.5109 -4.6361 -4.6361 -0.7212 -0.7212 -0.1829 -0.1829 0.0918 0.0918 0.2678 0.2678 1.1593 1.1593 1.7510 1.7510 1.8848 1.8848 2.1248 2.1248 3.1125 3.1125 3.7568 3.7568 4.2927 4.2927 7.2477 7.2477 8.2664 8.2664 9.5893 9.5893 10.6055 10.6055 k = 0.3913 0.2144-0.2918 ( 8313 PWs) bands (ev): -40.8669 -40.8669 -14.3627 -14.3627 -13.3342 -13.3342 -12.5284 -12.5283 -12.5168 -12.5168 -4.6414 -4.6414 -0.7117 -0.7117 -0.1706 -0.1706 0.0948 0.0948 0.2888 0.2888 1.1430 1.1430 1.7074 1.7074 1.9130 1.9130 2.1626 2.1626 3.0903 3.0903 3.7467 3.7467 4.3145 4.3145 7.2693 7.2693 8.2931 8.2931 9.5303 9.5303 10.5575 10.5575 k = 0.4022 0.2203-0.2999 ( 8321 PWs) bands (ev): -40.8669 -40.8669 -14.3519 -14.3519 -13.3366 -13.3366 -12.5395 -12.5395 -12.5205 -12.5205 -4.6462 -4.6462 -0.7029 -0.7029 -0.1591 -0.1591 0.0979 0.0979 0.3083 0.3083 1.1281 1.1281 1.6671 1.6671 1.9391 1.9391 2.1981 2.1981 3.0694 3.0694 3.7374 3.7374 4.3342 4.3342 7.2885 7.2885 8.3179 8.3179 9.4757 9.4757 10.5132 10.5132 k = 0.4130 0.2263-0.3080 ( 8309 PWs) bands (ev): -40.8669 -40.8669 -14.3419 -14.3419 -13.3387 -13.3387 -12.5500 -12.5500 -12.5235 -12.5235 -4.6506 -4.6506 -0.6949 -0.6949 -0.1485 -0.1485 0.1010 0.1010 0.3263 0.3263 1.1148 1.1148 1.6304 1.6304 1.9628 1.9628 2.2310 2.2310 3.0501 3.0501 3.7291 3.7291 4.3520 4.3520 7.3054 7.3054 8.3405 8.3405 9.4257 9.4257 10.4728 10.4728 k = 0.4239 0.2322-0.3161 ( 8307 PWs) bands (ev): -40.8669 -40.8669 -14.3329 -14.3329 -13.3406 -13.3406 -12.5596 -12.5596 -12.5262 -12.5262 -4.6545 -4.6545 -0.6877 -0.6877 -0.1389 -0.1389 0.1040 0.1040 0.3425 0.3425 1.1030 1.1030 1.5976 1.5976 1.9842 1.9842 2.2609 2.2609 3.0323 3.0323 3.7216 3.7216 4.3678 4.3678 7.3202 7.3202 8.3609 8.3609 9.3807 9.3807 10.4366 10.4366 k = 0.4348 0.2382-0.3242 ( 8321 PWs) bands (ev): -40.8669 -40.8669 -14.3250 -14.3250 -13.3423 -13.3423 -12.5681 -12.5681 -12.5285 -12.5285 -4.6579 -4.6579 -0.6814 -0.6814 -0.1303 -0.1303 0.1068 0.1068 0.3568 0.3568 1.0927 1.0927 1.5687 1.5687 2.0030 2.0030 2.2876 2.2876 3.0165 3.0165 3.7152 3.7152 4.3816 4.3816 7.3328 7.3328 8.3788 8.3788 9.3409 9.3409 10.4048 10.4048 k = 0.4457 0.2442-0.3323 ( 8329 PWs) bands (ev): -40.8669 -40.8669 -14.3181 -14.3181 -13.3437 -13.3437 -12.5755 -12.5755 -12.5304 -12.5304 -4.6608 -4.6608 -0.6760 -0.6760 -0.1229 -0.1228 0.1092 0.1092 0.3692 0.3692 1.0841 1.0841 1.5439 1.5439 2.0191 2.0191 2.3107 2.3107 3.0026 3.0026 3.7096 3.7096 4.3932 4.3932 7.3434 7.3434 8.3942 8.3942 9.3068 9.3068 10.3775 10.3775 k = 0.4565 0.2501-0.3404 ( 8333 PWs) bands (ev): -40.8669 -40.8669 -14.3124 -14.3124 -13.3449 -13.3449 -12.5817 -12.5817 -12.5320 -12.5320 -4.6632 -4.6632 -0.6715 -0.6715 -0.1166 -0.1166 0.1112 0.1112 0.3795 0.3795 1.0769 1.0769 1.5234 1.5234 2.0324 2.0324 2.3301 2.3301 2.9909 2.9909 3.7051 3.7051 4.4028 4.4028 7.3520 7.3520 8.4069 8.4069 9.2785 9.2785 10.3549 10.3549 k = 0.4674 0.2561-0.3485 ( 8341 PWs) bands (ev): -40.8669 -40.8669 -14.3079 -14.3079 -13.3458 -13.3458 -12.5865 -12.5865 -12.5332 -12.5332 -4.6651 -4.6651 -0.6680 -0.6680 -0.1116 -0.1116 0.1129 0.1129 0.3876 0.3876 1.0714 1.0714 1.5073 1.5073 2.0428 2.0428 2.3455 2.3455 2.9817 2.9817 3.7016 3.7016 4.4103 4.4103 7.3586 7.3586 8.4169 8.4169 9.2563 9.2563 10.3372 10.3372 k = 0.4783 0.2620-0.3567 ( 8357 PWs) bands (ev): -40.8669 -40.8669 -14.3047 -14.3047 -13.3465 -13.3465 -12.5900 -12.5900 -12.5341 -12.5341 -4.6664 -4.6664 -0.6654 -0.6654 -0.1079 -0.1079 0.1140 0.1140 0.3934 0.3934 1.0674 1.0674 1.4957 1.4957 2.0503 2.0503 2.3567 2.3567 2.9749 2.9749 3.6991 3.6991 4.4156 4.4156 7.3633 7.3633 8.4241 8.4241 9.2403 9.2403 10.3245 10.3245 k = 0.4891 0.2680-0.3648 ( 8369 PWs) bands (ev): -40.8669 -40.8669 -14.3027 -14.3027 -13.3469 -13.3469 -12.5921 -12.5921 -12.5346 -12.5346 -4.6672 -4.6672 -0.6639 -0.6639 -0.1057 -0.1057 0.1148 0.1148 0.3969 0.3969 1.0651 1.0651 1.4887 1.4887 2.0548 2.0548 2.3634 2.3634 2.9708 2.9708 3.6976 3.6976 4.4188 4.4188 7.3661 7.3661 8.4285 8.4285 9.2307 9.2307 10.3169 10.3169 k = 0.5000 0.2739-0.3729 ( 8370 PWs) bands (ev): -40.8669 -40.8669 -14.3021 -14.3021 -13.3470 -13.3470 -12.5928 -12.5928 -12.5348 -12.5348 -4.6675 -4.6675 -0.6634 -0.6634 -0.1050 -0.1050 0.1150 0.1150 0.3981 0.3981 1.0643 1.0643 1.4864 1.4864 2.0563 2.0563 2.3657 2.3657 2.9694 2.9694 3.6971 3.6971 4.4199 4.4199 7.3670 7.3670 8.4299 8.4299 9.2275 9.2275 10.3143 10.3143 k = 0.5000 0.2739-0.3729 ( 8370 PWs) bands (ev): -40.8669 -40.8669 -14.3021 -14.3021 -13.3470 -13.3470 -12.5928 -12.5928 -12.5348 -12.5348 -4.6675 -4.6675 -0.6634 -0.6634 -0.1050 -0.1050 0.1150 0.1150 0.3981 0.3981 1.0643 1.0643 1.4864 1.4864 2.0563 2.0563 2.3657 2.3657 2.9694 2.9694 3.6971 3.6971 4.4199 4.4199 7.3670 7.3670 8.4299 8.4299 9.2275 9.2275 10.3143 10.3143 k = 0.5099 0.2676-0.3643 ( 8362 PWs) bands (ev): -40.8669 -40.8669 -14.3017 -14.3016 -13.3475 -13.3473 -12.5928 -12.5927 -12.5350 -12.5350 -4.6657 -4.6655 -0.6833 -0.6756 -0.1012 -0.0906 0.1162 0.1181 0.3983 0.3983 1.0647 1.0649 1.4867 1.4883 2.0574 2.0576 2.3654 2.3659 2.9698 2.9698 3.6972 3.6976 4.4190 4.4194 7.3678 7.3682 8.4298 8.4323 9.2295 9.2297 10.3137 10.3142 k = 0.5198 0.2613-0.3557 ( 8358 PWs) bands (ev): -40.8669 -40.8669 -14.3005 -14.3003 -13.3487 -13.3484 -12.5926 -12.5925 -12.5355 -12.5355 -4.6602 -4.6599 -0.7308 -0.7172 -0.0827 -0.0637 0.1228 0.1262 0.3991 0.3991 1.0663 1.0667 1.4893 1.4924 2.0608 2.0611 2.3651 2.3659 2.9708 2.9708 3.6980 3.6987 4.4167 4.4174 7.3706 7.3715 8.4319 8.4371 9.2357 9.2361 10.3123 10.3133 k = 0.5296 0.2550-0.3471 ( 8350 PWs) bands (ev): -40.8669 -40.8669 -14.2985 -14.2983 -13.3507 -13.3502 -12.5924 -12.5921 -12.5365 -12.5364 -4.6510 -4.6505 -0.7982 -0.7807 -0.0592 -0.0348 0.1373 0.1415 0.4003 0.4004 1.0690 1.0695 1.4944 1.4989 2.0663 2.0668 2.3646 2.3658 2.9725 2.9725 3.6994 3.7005 4.4129 4.4141 7.3753 7.3765 8.4365 8.4442 9.2462 9.2467 10.3101 10.3115 k = 0.5395 0.2487-0.3385 ( 8338 PWs) bands (ev): -40.8669 -40.8669 -14.2958 -14.2954 -13.3534 -13.3528 -12.5920 -12.5916 -12.5377 -12.5377 -4.6382 -4.6375 -0.8789 -0.8592 -0.0396 -0.0132 0.1625 0.1657 0.4021 0.4022 1.0728 1.0735 1.5023 1.5082 2.0740 2.0746 2.3640 2.3657 2.9748 2.9749 3.7015 3.7030 4.4079 4.4094 7.3815 7.3833 8.4437 8.4539 9.2608 9.2614 10.3066 10.3086 k = 0.5494 0.2423-0.3299 ( 8330 PWs) bands (ev): -40.8669 -40.8669 -14.2922 -14.2918 -13.3568 -13.3561 -12.5915 -12.5910 -12.5394 -12.5393 -4.6217 -4.6208 -0.9685 -0.9474 -0.0282 -0.0022 0.1970 0.1978 0.4043 0.4045 1.0776 1.0785 1.5135 1.5206 2.0835 2.0843 2.3633 2.3655 2.9778 2.9779 3.7043 3.7061 4.4015 4.4034 7.3891 7.3913 8.4537 8.4665 9.2794 9.2802 10.3017 10.3043 k = 0.5593 0.2360-0.3213 ( 8330 PWs) bands (ev): -40.8669 -40.8669 -14.2879 -14.2873 -13.3609 -13.3601 -12.5909 -12.5903 -12.5413 -12.5413 -4.6016 -4.6006 -1.0642 -1.0423 -0.0248 0.0001 0.2342 0.2359 0.4070 0.4073 1.0834 1.0844 1.5283 1.5365 2.0947 2.0959 2.3626 2.3652 2.9815 2.9816 3.7078 3.7100 4.3939 4.3961 7.3977 7.4004 8.4670 8.4822 9.3019 9.3030 10.2948 10.2981 k = 0.5691 0.2297-0.3127 ( 8322 PWs) bands (ev): -40.8669 -40.8669 -14.2828 -14.2822 -13.3657 -13.3647 -12.5902 -12.5895 -12.5436 -12.5436 -4.5779 -4.5768 -1.1643 -1.1418 -0.0274 -0.0035 0.2708 0.2745 0.4101 0.4107 1.0901 1.0914 1.5472 1.5562 2.1074 2.1089 2.3619 2.3649 2.9859 2.9860 3.7120 3.7146 4.3851 4.3877 7.4068 7.4099 8.4838 8.5015 9.3283 9.3295 10.2855 10.2896 k = 0.5790 0.2234-0.3041 ( 8330 PWs) bands (ev): -40.8669 -40.8669 -14.2770 -14.2763 -13.3710 -13.3699 -12.5894 -12.5887 -12.5463 -12.5462 -4.5507 -4.5495 -1.2674 -1.2446 -0.0342 -0.0111 0.3047 0.3095 0.4137 0.4147 1.0978 1.0992 1.5704 1.5800 2.1215 2.1234 2.3612 2.3646 2.9909 2.9910 3.7170 3.7199 4.3752 4.3782 7.4160 7.4195 8.5047 8.5247 9.3584 9.3597 10.2733 10.2782 k = 0.5889 0.2171-0.2955 ( 8330 PWs) bands (ev): -40.8669 -40.8669 -14.2704 -14.2697 -13.3769 -13.3757 -12.5886 -12.5877 -12.5492 -12.5492 -4.5202 -4.5189 -1.3727 -1.3496 -0.0443 -0.0214 0.3339 0.3391 0.4178 0.4192 1.1063 1.1079 1.5981 1.6081 2.1367 2.1389 2.3605 2.3643 2.9966 2.9967 3.7227 3.7260 4.3643 4.3677 7.4247 7.4286 8.5301 8.5523 9.3920 9.3935 10.2574 10.2632 k = 0.5988 0.2107-0.2869 ( 8326 PWs) bands (ev): -40.8669 -40.8669 -14.2633 -14.2624 -13.3833 -13.3819 -12.5878 -12.5868 -12.5525 -12.5524 -4.4862 -4.4849 -1.4794 -1.4562 -0.0567 -0.0340 0.3574 0.3624 0.4223 0.4244 1.1155 1.1173 1.6301 1.6404 2.1528 2.1555 2.3599 2.3642 3.0029 3.0030 3.7293 3.7329 4.3526 4.3562 7.4325 7.4366 8.5604 8.5846 9.4289 9.4305 10.2372 10.2442 k = 0.6086 0.2044-0.2783 ( 8326 PWs) bands (ev): -40.8669 -40.8669 -14.2554 -14.2545 -13.3901 -13.3886 -12.5869 -12.5858 -12.5560 -12.5559 -4.4490 -4.4476 -1.5872 -1.5638 -0.0712 -0.0483 0.3747 0.3792 0.4273 0.4299 1.1254 1.1274 1.6662 1.6765 2.1696 2.1728 2.3594 2.3641 3.0099 3.0100 3.7367 3.7407 4.3400 4.3440 7.4388 7.4430 8.5960 8.6221 9.4690 9.4707 10.2122 10.2204 k = 0.6185 0.1981-0.2697 ( 8308 PWs) bands (ev): -40.8669 -40.8669 -14.2470 -14.2460 -13.3973 -13.3957 -12.5861 -12.5848 -12.5598 -12.5597 -4.4087 -4.4072 -1.6954 -1.6720 -0.0872 -0.0641 0.3858 0.3899 0.4326 0.4356 1.1359 1.1380 1.7060 1.7160 2.1870 2.1908 2.3591 2.3642 3.0175 3.0176 3.7450 3.7493 4.3268 4.3311 7.4432 7.4475 8.6372 8.6650 9.5120 9.5139 10.1816 10.1911 k = 0.6284 0.1918-0.2610 ( 8304 PWs) bands (ev): -40.8669 -40.8669 -14.2380 -14.2370 -13.4048 -13.4031 -12.5854 -12.5839 -12.5638 -12.5636 -4.3653 -4.3638 -1.8038 -1.7804 -0.1046 -0.0812 0.3911 0.3950 0.4383 0.4411 1.1469 1.1492 1.7487 1.7584 2.2049 2.2093 2.3590 2.3645 3.0258 3.0259 3.7542 3.7588 4.3130 4.3176 7.4453 7.4495 8.6844 8.7135 9.5576 9.5597 10.1451 10.1560 k = 0.6383 0.1855-0.2524 ( 8296 PWs) bands (ev): -40.8669 -40.8669 -14.2285 -14.2275 -13.4126 -13.4107 -12.5847 -12.5831 -12.5680 -12.5677 -4.3189 -4.3175 -1.9121 -1.8886 -0.1232 -0.0995 0.3910 0.3951 0.4443 0.4466 1.1583 1.1607 1.7937 1.8030 2.2231 2.2281 2.3592 2.3651 3.0346 3.0347 3.7642 3.7691 4.2987 4.3036 7.4448 7.4487 8.7375 8.7678 9.6057 9.6080 10.1021 10.1144 k = 0.6481 0.1791-0.2438 ( 8292 PWs) bands (ev): -40.8669 -40.8669 -14.2186 -14.2175 -13.4204 -13.4185 -12.5843 -12.5825 -12.5722 -12.5719 -4.2698 -4.2684 -2.0198 -1.9964 -0.1428 -0.1187 0.3860 0.3904 0.4506 0.4522 1.1699 1.1725 1.8404 1.8491 2.2416 2.2472 2.3598 2.3660 3.0440 3.0441 3.7752 3.7803 4.2841 4.2892 7.4416 7.4451 8.7967 8.8280 9.6560 9.6586 10.0524 10.0662 k = 0.6580 0.1728-0.2352 ( 8306 PWs) bands (ev): -40.8669 -40.8669 -14.2083 -14.2072 -13.4283 -13.4263 -12.5846 -12.5826 -12.5760 -12.5756 -4.2180 -4.2166 -2.1269 -2.1035 -0.1633 -0.1388 0.3767 0.3812 0.4571 0.4582 1.1817 1.1845 1.8880 1.8961 2.2603 2.2666 2.3607 2.3673 3.0540 3.0541 3.7870 3.7924 4.2692 4.2746 7.4354 7.4384 8.8618 8.8938 9.7080 9.7110 9.9962 10.0113 k = 0.6679 0.1665-0.2266 ( 8306 PWs) bands (ev): -40.8669 -40.8669 -14.1977 -14.1965 -13.4362 -13.4341 -12.5864 -12.5849 -12.5782 -12.5779 -4.1636 -4.1623 -2.2329 -2.2096 -0.1844 -0.1596 0.3636 0.3682 0.4640 0.4646 1.1936 1.1966 1.9359 1.9433 2.2792 2.2863 2.3620 2.3691 3.0646 3.0647 3.7997 3.8053 4.2542 4.2598 7.4263 7.4287 8.9326 8.9650 9.7612 9.7652 9.9339 9.9496 k = 0.6778 0.1602-0.2180 ( 8304 PWs) bands (ev): -40.8669 -40.8669 -14.1868 -14.1856 -13.4440 -13.4418 -12.5901 -12.5891 -12.5791 -12.5782 -4.1069 -4.1057 -2.3378 -2.3145 -0.2062 -0.1810 0.3472 0.3519 0.4711 0.4713 1.2055 1.2086 1.9835 1.9901 2.2984 2.3061 2.3639 2.3713 3.0757 3.0757 3.8133 3.8190 4.2391 4.2449 7.4142 7.4159 9.0086 9.0412 9.8111 9.8208 9.8699 9.8817 k = 0.6876 0.1539-0.2094 ( 8304 PWs) bands (ev): -40.8669 -40.8669 -14.1757 -14.1745 -13.4515 -13.4493 -12.5947 -12.5941 -12.5793 -12.5780 -4.0480 -4.0469 -2.4412 -2.4180 -0.2285 -0.2030 0.3281 0.3328 0.4784 0.4784 1.2172 1.2205 2.0303 2.0359 2.3177 2.3264 2.3664 2.3740 3.0873 3.0873 3.8277 3.8335 4.2241 4.2301 7.3992 7.4002 9.0892 9.1217 9.7825 9.8082 9.8774 9.8801 k = 0.6975 0.1476-0.2008 ( 8310 PWs) bands (ev): -40.8669 -40.8669 -14.1646 -14.1634 -13.4587 -13.4564 -12.5999 -12.5994 -12.5794 -12.5778 -3.9872 -3.9862 -2.5430 -2.5199 -0.2511 -0.2253 0.3068 0.3114 0.4858 0.4859 1.2287 1.2321 2.0756 2.0803 2.3375 2.3470 2.3695 2.3774 3.0993 3.0994 3.8428 3.8488 4.2092 4.2154 7.3814 7.3816 9.1730 9.2052 9.7062 9.7304 9.9348 9.9349 k = 0.7074 0.1412-0.1922 ( 8308 PWs) bands (ev): -40.8669 -40.8669 -14.1534 -14.1522 -13.4655 -13.4632 -12.6052 -12.6048 -12.5795 -12.5777 -3.9245 -3.9237 -2.6429 -2.6199 -0.2741 -0.2480 0.2835 0.2881 0.4933 0.4936 1.2399 1.2433 2.1189 2.1225 2.3575 2.3681 2.3735 2.3816 3.1118 3.1119 3.8587 3.8648 4.1945 4.2009 7.3603 7.3609 9.2573 9.2878 9.6281 9.6516 9.9920 9.9927 k = 0.7173 0.1349-0.1836 ( 8304 PWs) bands (ev): -40.8669 -40.8669 -14.1424 -14.1412 -13.4718 -13.4694 -12.6107 -12.6104 -12.5797 -12.5777 -3.8604 -3.8597 -2.7408 -2.7178 -0.2972 -0.2710 0.2587 0.2633 0.5011 0.5014 1.2506 1.2541 2.1597 2.1622 2.3744 2.3823 2.3843 2.3922 3.1247 3.1248 3.8753 3.8814 4.1802 4.1866 7.3364 7.3378 9.3317 9.3546 9.5650 9.5822 10.0496 10.0506 k = 0.7271 0.1286-0.1750 ( 8292 PWs) bands (ev): -40.8669 -40.8669 -14.1315 -14.1303 -13.4774 -13.4750 -12.6163 -12.6160 -12.5801 -12.5780 -3.7952 -3.7945 -2.8362 -2.8133 -0.3204 -0.2941 0.2327 0.2374 0.5089 0.5093 1.2608 1.2644 2.1974 2.1989 2.3811 2.3902 2.4031 2.4149 3.1380 3.1380 3.8926 3.8987 4.1661 4.1727 7.3101 7.3122 9.3531 9.3556 9.5632 9.5700 10.1071 10.1082 k = 0.7370 0.1223-0.1664 ( 8292 PWs) bands (ev): -40.8669 -40.8669 -14.1209 -14.1198 -13.4823 -13.4799 -12.6220 -12.6217 -12.5807 -12.5784 -3.7292 -3.7286 -2.9289 -2.9059 -0.3437 -0.3172 0.2057 0.2107 0.5169 0.5173 1.2704 1.2741 2.2317 2.2322 2.3869 2.3961 2.4269 2.4395 3.1516 3.1516 3.9104 3.9164 4.1526 4.1593 7.2815 7.2842 9.2813 9.2996 9.6245 9.6457 10.1639 10.1652 k = 0.7469 0.1160-0.1578 ( 8296 PWs) bands (ev): -40.8669 -40.8669 -14.1107 -14.1097 -13.4864 -13.4840 -12.6277 -12.6275 -12.5815 -12.5792 -3.6632 -3.6625 -3.0182 -2.9951 -0.3669 -0.3404 0.1782 0.1833 0.5248 0.5253 1.2794 1.2832 2.2619 2.2623 2.3932 2.4025 2.4524 2.4657 3.1655 3.1655 3.9287 3.9347 4.1395 4.1462 7.2507 7.2541 9.1880 9.2113 9.7188 9.7436 10.2198 10.2211 k = 0.7568 0.1096-0.1492 ( 8292 PWs) bands (ev): -40.8669 -40.8669 -14.1010 -14.1000 -13.4896 -13.4872 -12.6334 -12.6332 -12.5826 -12.5801 -3.5985 -3.5975 -3.1031 -3.0797 -0.3899 -0.3634 0.1503 0.1556 0.5328 0.5333 1.2877 1.2915 2.2881 2.2892 2.4002 2.4095 2.4795 2.4932 3.1796 3.1796 3.9474 3.9533 4.1269 4.1337 7.2179 7.2218 9.0879 9.1132 9.8239 9.8494 10.2741 10.2755 k = 0.7667 0.1033-0.1406 ( 8300 PWs) bands (ev): -40.8669 -40.8669 -14.0919 -14.0909 -13.4917 -13.4894 -12.6391 -12.6389 -12.5839 -12.5814 -3.5377 -3.5362 -3.1811 -3.1571 -0.4128 -0.3864 0.1222 0.1278 0.5408 0.5413 1.2953 1.2991 2.3109 2.3124 2.4076 2.4170 2.5079 2.5217 3.1939 3.1939 3.9665 3.9723 4.1150 4.1218 7.1831 7.1874 8.9850 9.0114 9.9343 9.9596 10.3265 10.3279 k = 0.7765 0.0970-0.1320 ( 8310 PWs) bands (ev): -40.8669 -40.8669 -14.0834 -14.0825 -13.4929 -13.4906 -12.6448 -12.6445 -12.5855 -12.5829 -3.4884 -3.4864 -3.2444 -3.2199 -0.4354 -0.4091 0.0942 0.1001 0.5487 0.5492 1.3022 1.3060 2.3308 2.3324 2.4157 2.4250 2.5372 2.5508 3.2083 3.2084 3.9858 3.9915 4.1036 4.1104 7.1466 7.1512 8.8811 8.9080 10.0481 10.0728 10.3766 10.3780 k = 0.7864 0.0907-0.1234 ( 8306 PWs) bands (ev): -40.8669 -40.8669 -14.0757 -14.0748 -13.4929 -13.4907 -12.6503 -12.6501 -12.5873 -12.5847 -3.4703 -3.4697 -3.2709 -3.2491 -0.4577 -0.4316 0.0665 0.0727 0.5566 0.5571 1.3084 1.3121 2.3480 2.3498 2.4242 2.4335 2.5669 2.5801 3.2228 3.2229 4.0053 4.0109 4.0929 4.0997 7.1082 7.1131 8.7774 8.8045 10.1643 10.1881 10.4238 10.4252 k = 0.7864 0.0907-0.1234 ( 8306 PWs) bands (ev): -40.8669 -40.8669 -14.0757 -14.0748 -13.4929 -13.4907 -12.6503 -12.6501 -12.5873 -12.5847 -3.4703 -3.4697 -3.2709 -3.2491 -0.4577 -0.4316 0.0665 0.0727 0.5566 0.5571 1.3084 1.3121 2.3480 2.3498 2.4242 2.4335 2.5669 2.5801 3.2228 3.2229 4.0053 4.0109 4.0929 4.0997 7.1082 7.1131 8.7774 8.8045 10.1643 10.1881 10.4238 10.4252 k = 0.7853 0.0821-0.1118 ( 8316 PWs) bands (ev): -40.8669 -40.8669 -14.0709 -14.0702 -13.4923 -13.4902 -12.6540 -12.6538 -12.5886 -12.5859 -3.4891 -3.4843 -3.2572 -3.2395 -0.4730 -0.4471 0.0486 0.0551 0.5612 0.5617 1.3109 1.3146 2.3584 2.3602 2.4309 2.4402 2.5866 2.5996 3.2330 3.2330 4.0187 4.0241 4.0863 4.0930 7.0812 7.0861 8.7079 8.7350 10.2430 10.2661 10.4547 10.4561 k = 0.7842 0.0736-0.1002 ( 8306 PWs) bands (ev): -40.8669 -40.8669 -14.0668 -14.0660 -13.4915 -13.4893 -12.6573 -12.6571 -12.5898 -12.5871 -3.5233 -3.5153 -3.2261 -3.2117 -0.4891 -0.4633 0.0322 0.0388 0.5645 0.5650 1.3105 1.3141 2.3681 2.3699 2.4396 2.4488 2.6055 2.6182 3.2436 3.2437 4.0322 4.0374 4.0804 4.0870 7.0529 7.0578 8.6394 8.6662 10.3205 10.3429 10.4856 10.4870 k = 0.7830 0.0651-0.0886 ( 8301 PWs) bands (ev): -40.8669 -40.8669 -14.0630 -14.0624 -13.4902 -13.4881 -12.6604 -12.6602 -12.5910 -12.5882 -3.5639 -3.5539 -3.1869 -3.1744 -0.5057 -0.4801 0.0174 0.0241 0.5664 0.5669 1.3069 1.3104 2.3774 2.3792 2.4507 2.4597 2.6234 2.6357 3.2547 3.2548 4.0455 4.0507 4.0752 4.0816 7.0236 7.0283 8.5721 8.5986 10.3967 10.4182 10.5162 10.5176 k = 0.7819 0.0565-0.0769 ( 8309 PWs) bands (ev): -40.8669 -40.8669 -14.0597 -14.0591 -13.4887 -13.4867 -12.6633 -12.6631 -12.5922 -12.5894 -3.6061 -3.5952 -3.1442 -3.1328 -0.5228 -0.4973 0.0043 0.0110 0.5670 0.5675 1.2999 1.3032 2.3864 2.3883 2.4646 2.4734 2.6402 2.6521 3.2661 3.2661 4.0584 4.0636 4.0708 4.0770 6.9931 6.9976 8.5063 8.5323 10.4712 10.4919 10.5463 10.5478 k = 0.7808 0.0480-0.0653 ( 8307 PWs) bands (ev): -40.8669 -40.8669 -14.0568 -14.0562 -13.4870 -13.4849 -12.6658 -12.6656 -12.5935 -12.5907 -3.6482 -3.6367 -3.1000 -3.0892 -0.5401 -0.5147 -0.0072 -0.0004 0.5661 0.5666 1.2894 1.2925 2.3953 2.3972 2.4815 2.4901 2.6557 2.6672 3.2776 3.2777 4.0656 4.0723 4.0728 4.0762 6.9616 6.9658 8.4423 8.4677 10.5436 10.5632 10.5762 10.5776 k = 0.7797 0.0394-0.0537 ( 8314 PWs) bands (ev): -40.8670 -40.8670 -14.0541 -14.0535 -13.4850 -13.4830 -12.6681 -12.6679 -12.5950 -12.5921 -3.6891 -3.6774 -3.0555 -3.0450 -0.5575 -0.5322 -0.0170 -0.0102 0.5638 0.5642 1.2755 1.2784 2.4043 2.4062 2.5017 2.5100 2.6699 2.6811 3.2892 3.2892 4.0628 4.0694 4.0836 4.0878 6.9290 6.9328 8.3804 8.4051 10.6024 10.6035 10.6181 10.6342 k = 0.7786 0.0309-0.0420 ( 8312 PWs) bands (ev): -40.8670 -40.8670 -14.0516 -14.0511 -13.4829 -13.4808 -12.6701 -12.6699 -12.5967 -12.5938 -3.7283 -3.7166 -3.0112 -3.0009 -0.5747 -0.5496 -0.0249 -0.0182 0.5598 0.5603 1.2583 1.2610 2.4133 2.4154 2.5251 2.5332 2.6828 2.6936 3.3007 3.3007 4.0601 4.0664 4.0945 4.0986 6.8956 6.8989 8.3209 8.3447 10.6311 10.6316 10.6850 10.7017 k = 0.7774 0.0223-0.0304 ( 8312 PWs) bands (ev): -40.8670 -40.8670 -14.0494 -14.0489 -13.4805 -13.4785 -12.6718 -12.6716 -12.5986 -12.5957 -3.7655 -3.7540 -2.9677 -2.9575 -0.5917 -0.5667 -0.0310 -0.0245 0.5542 0.5547 1.2382 1.2406 2.4226 2.4247 2.5518 2.5595 2.6944 2.7047 3.3120 3.3121 4.0577 4.0639 4.1043 4.1082 6.8612 6.8639 8.2640 8.2868 10.6573 10.6580 10.7512 10.7669 k = 0.7763 0.0138-0.0188 ( 8316 PWs) bands (ev): -40.8670 -40.8670 -14.0472 -14.0468 -13.4781 -13.4760 -12.6733 -12.6731 -12.6009 -12.5980 -3.8006 -3.7893 -2.9253 -2.9151 -0.6080 -0.5832 -0.0352 -0.0288 0.5469 0.5473 1.2155 1.2177 2.4321 2.4343 2.5816 2.5891 2.7046 2.7146 3.3231 3.3231 4.0557 4.0617 4.1127 4.1164 6.8261 6.8281 8.2099 8.2316 10.6824 10.6831 10.8152 10.8297 k = 0.7752 0.0053-0.0072 ( 8320 PWs) bands (ev): -40.8670 -40.8670 -14.0452 -14.0448 -13.4755 -13.4735 -12.6744 -12.6742 -12.6036 -12.6007 -3.8335 -3.8224 -2.8844 -2.8742 -0.6237 -0.5991 -0.0375 -0.0313 0.5376 0.5380 1.1906 1.1926 2.4418 2.4441 2.6144 2.6215 2.7136 2.7232 3.3338 3.3338 4.0541 4.0599 4.1195 4.1231 6.7903 6.7915 8.1588 8.1793 10.7063 10.7070 10.8765 10.8898 k = 0.7741-0.0033 0.0045 ( 8314 PWs) bands (ev): -40.8670 -40.8670 -14.0431 -14.0428 -13.4729 -13.4708 -12.6752 -12.6750 -12.6067 -12.6038 -3.8639 -3.8531 -2.8452 -2.8350 -0.6383 -0.6140 -0.0378 -0.0318 0.5263 0.5267 1.1642 1.1659 2.4518 2.4541 2.6500 2.6567 2.7213 2.7305 3.3440 3.3441 4.0526 4.0583 4.1246 4.1279 6.7538 6.7542 8.1110 8.1302 10.7292 10.7298 10.9353 10.9473 k = 0.7730-0.0118 0.0161 ( 8317 PWs) bands (ev): -40.8670 -40.8670 -14.0411 -14.0408 -13.4702 -13.4681 -12.6757 -12.6755 -12.6103 -12.6074 -3.8919 -3.8815 -2.8079 -2.7977 -0.6517 -0.6277 -0.0361 -0.0304 0.5129 0.5132 1.1366 1.1381 2.4621 2.4644 2.6880 2.6945 2.7278 2.7366 3.3537 3.3538 4.0514 4.0569 4.1276 4.1308 6.7164 6.7168 8.0665 8.0844 10.7510 10.7516 10.9913 11.0020 k = 0.7718-0.0204 0.0277 ( 8314 PWs) bands (ev): -40.8670 -40.8670 -14.0391 -14.0387 -13.4674 -13.4653 -12.6760 -12.6758 -12.6144 -12.6115 -3.9174 -3.9074 -2.7730 -2.7628 -0.6637 -0.6402 -0.0324 -0.0269 0.4970 0.4973 1.1084 1.1097 2.4726 2.4750 2.7276 2.7338 2.7344 2.7416 3.3629 3.3629 4.0503 4.0557 4.1286 4.1316 6.6783 6.6795 8.0256 8.0420 10.7720 10.7725 11.0446 11.0540 k = 0.7707-0.0289 0.0393 ( 8320 PWs) bands (ev): -40.8670 -40.8670 -14.0370 -14.0367 -13.4646 -13.4625 -12.6759 -12.6757 -12.6189 -12.6161 -3.9404 -3.9309 -2.7404 -2.7304 -0.6741 -0.6510 -0.0266 -0.0214 0.4787 0.4790 1.0803 1.0814 2.4833 2.4858 2.7371 2.7453 2.7707 2.7764 3.3713 3.3714 4.0493 4.0545 4.1273 4.1302 6.6399 6.6420 7.9881 8.0032 10.7923 10.7927 11.0951 11.1033 k = 0.7696-0.0374 0.0510 ( 8322 PWs) bands (ev): -40.8670 -40.8670 -14.0348 -14.0345 -13.4618 -13.4597 -12.6756 -12.6753 -12.6240 -12.6213 -3.9608 -3.9518 -2.7106 -2.7007 -0.6827 -0.6602 -0.0187 -0.0138 0.4577 0.4579 1.0525 1.0535 2.4942 2.4967 2.7403 2.7480 2.8145 2.8199 3.3791 3.3792 4.0484 4.0533 4.1236 4.1264 6.6015 6.6044 7.9542 7.9679 10.8120 10.8124 11.1431 11.1500 k = 0.7685-0.0460 0.0626 ( 8322 PWs) bands (ev): -40.8670 -40.8670 -14.0325 -14.0322 -13.4591 -13.4570 -12.6749 -12.6746 -12.6296 -12.6269 -3.9788 -3.9703 -2.6836 -2.6740 -0.6893 -0.6676 -0.0088 -0.0042 0.4339 0.4342 1.0256 1.0264 2.5053 2.5078 2.7424 2.7497 2.8597 2.8649 3.3862 3.3863 4.0474 4.0522 4.1175 4.1202 6.5632 6.5669 7.9240 7.9362 10.8314 10.8318 11.1885 11.1942 k = 0.7674-0.0545 0.0742 ( 8316 PWs) bands (ev): -40.8670 -40.8670 -14.0301 -14.0298 -13.4564 -13.4543 -12.6740 -12.6737 -12.6357 -12.6331 -3.9942 -3.9862 -2.6597 -2.6503 -0.6939 -0.6730 0.0032 0.0075 0.4075 0.4077 0.9999 1.0006 2.5165 2.5190 2.7435 2.7505 2.9061 2.9111 3.3925 3.3926 4.0464 4.0510 4.1089 4.1114 6.5254 6.5298 7.8972 7.9081 10.8506 10.8509 11.2314 11.2361 k = 0.7662-0.0631 0.0858 ( 8315 PWs) bands (ev): -40.8670 -40.8670 -14.0275 -14.0273 -13.4537 -13.4516 -12.6729 -12.6725 -12.6422 -12.6398 -4.0071 -3.9996 -2.6388 -2.6298 -0.6965 -0.6765 0.0173 0.0213 0.3783 0.3786 0.9757 0.9762 2.5278 2.5303 2.7437 2.7502 2.9534 2.9582 3.3981 3.3982 4.0453 4.0497 4.0978 4.1002 6.4881 6.4931 7.8739 7.8836 10.8698 10.8701 11.2721 11.2757 k = 0.7651-0.0716 0.0975 ( 8314 PWs) bands (ev): -40.8670 -40.8670 -14.0249 -14.0246 -13.4512 -13.4491 -12.6715 -12.6710 -12.6492 -12.6470 -4.0176 -4.0106 -2.6212 -2.6126 -0.6969 -0.6779 0.0334 0.0371 0.3466 0.3468 0.9530 0.9535 2.5391 2.5416 2.7430 2.7491 3.0014 3.0058 3.4029 3.4030 4.0441 4.0484 4.0842 4.0864 6.4517 6.4572 7.8541 7.8625 10.8891 10.8893 11.3106 11.3133 k = 0.7640-0.0801 0.1091 ( 8314 PWs) bands (ev): -40.8670 -40.8670 -14.0220 -14.0218 -13.4487 -13.4467 -12.6702 -12.6693 -12.6562 -12.6545 -4.0256 -4.0192 -2.6067 -2.5985 -0.6953 -0.6774 0.0516 0.0550 0.3125 0.3127 0.9320 0.9324 2.5504 2.5528 2.7415 2.7472 3.0497 3.0539 3.4070 3.4071 4.0428 4.0469 4.0681 4.0703 6.4164 6.4222 7.8374 7.8447 10.9087 10.9089 11.3470 11.3488 k = 0.7629-0.0887 0.1207 ( 8312 PWs) bands (ev): -40.8670 -40.8670 -14.0191 -14.0188 -13.4465 -13.4445 -12.6700 -12.6678 -12.6622 -12.6619 -4.0313 -4.0255 -2.5953 -2.5877 -0.6917 -0.6750 0.0717 0.0748 0.2764 0.2766 0.9126 0.9129 2.5616 2.5639 2.7392 2.7445 3.0981 3.1021 3.4104 3.4105 4.0411 4.0451 4.0499 4.0518 6.3823 6.3884 7.8239 7.8301 10.9286 10.9288 11.3814 11.3825 k = 0.7618-0.0972 0.1323 ( 8312 PWs) bands (ev): -40.8670 -40.8670 -14.0159 -14.0157 -13.4445 -13.4426 -12.6749 -12.6718 -12.6638 -12.6631 -4.0346 -4.0294 -2.5870 -2.5800 -0.6863 -0.6710 0.0936 0.0964 0.2386 0.2388 0.8947 0.8949 2.5725 2.5747 2.7364 2.7412 3.1464 3.1501 3.4131 3.4132 4.0282 4.0304 4.0405 4.0439 6.3497 6.3559 7.8133 7.8185 10.9490 10.9492 11.4139 11.4144 k = 0.7606-0.1058 0.1440 ( 8310 PWs) bands (ev): -40.8670 -40.8670 -14.0127 -14.0124 -13.4427 -13.4409 -12.6826 -12.6800 -12.6616 -12.6612 -4.0358 -4.0311 -2.5817 -2.5753 -0.6794 -0.6654 0.1169 0.1193 0.1999 0.2001 0.8782 0.8783 2.5831 2.5851 2.7330 2.7374 3.1943 3.1978 3.4152 3.4153 4.0055 4.0074 4.0388 4.0421 6.3187 6.3249 7.8056 7.8099 10.9700 10.9701 11.4444 11.4445 k = 0.7595-0.1143 0.1556 ( 8312 PWs) bands (ev): -40.8670 -40.8670 -14.0093 -14.0091 -13.4412 -13.4395 -12.6909 -12.6886 -12.6588 -12.6586 -4.0348 -4.0306 -2.5790 -2.5733 -0.6711 -0.6585 0.1361 0.1376 0.1662 0.1666 0.8629 0.8630 2.5930 2.5949 2.7294 2.7334 3.2415 3.2448 3.4168 3.4169 3.9805 3.9823 4.0373 4.0403 6.2897 6.2957 7.8004 7.8039 10.9914 10.9915 11.4725 11.4731 k = 0.7584-0.1229 0.1672 ( 8316 PWs) bands (ev): -40.8670 -40.8670 -14.0059 -14.0056 -13.4401 -13.4385 -12.6994 -12.6974 -12.6557 -12.6556 -4.0317 -4.0281 -2.5789 -2.5739 -0.6618 -0.6507 0.1118 0.1118 0.1769 0.1785 0.8487 0.8488 2.6020 2.6037 2.7260 2.7294 3.2877 3.2906 3.4181 3.4182 3.9536 3.9552 4.0357 4.0385 6.2626 6.2683 7.7977 7.8004 11.0135 11.0135 11.4987 11.4997 k = 0.7573-0.1314 0.1789 ( 8317 PWs) bands (ev): -40.8670 -40.8670 -14.0023 -14.0021 -13.4394 -13.4380 -12.7078 -12.7060 -12.6524 -12.6523 -4.0266 -4.0236 -2.5811 -2.5769 -0.6518 -0.6421 0.0709 0.0710 0.2053 0.2067 0.8353 0.8354 2.6095 2.6109 2.7231 2.7259 3.3321 3.3348 3.4196 3.4197 3.9251 3.9265 4.0343 4.0368 6.2378 6.2430 7.7972 7.7993 11.0361 11.0362 11.5228 11.5240 k = 0.7562-0.1399 0.1905 ( 8318 PWs) bands (ev): -40.8670 -40.8670 -13.9987 -13.9985 -13.4392 -13.4379 -12.7161 -12.7146 -12.6488 -12.6487 -4.0197 -4.0172 -2.5854 -2.5818 -0.6413 -0.6332 0.0287 0.0288 0.2366 0.2377 0.8227 0.8228 2.6149 2.6159 2.7215 2.7237 3.3728 3.3750 3.4231 3.4231 3.8951 3.8963 4.0330 4.0352 6.2152 6.2199 7.7988 7.8004 11.0593 11.0594 11.5443 11.5457 k = 0.7550-0.1485 0.2021 ( 8322 PWs) bands (ev): -40.8670 -40.8670 -13.9951 -13.9949 -13.4395 -13.4384 -12.7241 -12.7228 -12.6450 -12.6449 -4.0110 -4.0090 -2.5914 -2.5886 -0.6308 -0.6243 -0.0138 -0.0137 0.2699 0.2708 0.8108 0.8108 2.6173 2.6179 2.7220 2.7235 3.4004 3.4015 3.4377 3.4384 3.8639 3.8649 4.0320 4.0339 6.1951 6.1991 7.8022 7.8034 11.0831 11.0831 11.5627 11.5642 k = 0.7539-0.1570 0.2137 ( 8317 PWs) bands (ev): -40.8670 -40.8670 -13.9914 -13.9913 -13.4404 -13.4395 -12.7316 -12.7306 -12.6410 -12.6410 -4.0006 -3.9992 -2.5989 -2.5968 -0.6205 -0.6156 -0.0562 -0.0561 0.3050 0.3056 0.7993 0.7993 2.6162 2.6164 2.7249 2.7258 3.4078 3.4081 3.4702 3.4714 3.8316 3.8324 4.0314 4.0328 6.1776 6.1807 7.8074 7.8082 11.1074 11.1074 11.5771 11.5785 k = 0.7528-0.1656 0.2254 ( 8321 PWs) bands (ev): -40.8670 -40.8670 -13.9879 -13.9878 -13.4419 -13.4413 -12.7385 -12.7378 -12.6368 -12.6368 -3.9888 -3.9878 -2.6076 -2.6062 -0.6108 -0.6075 -0.0983 -0.0982 0.3418 0.3422 0.7881 0.7881 2.6113 2.6113 2.7303 2.7308 3.4088 3.4089 3.5068 3.5077 3.7986 3.7992 4.0313 4.0323 6.1627 6.1649 7.8142 7.8146 11.1321 11.1321 11.5859 11.5871 k = 0.7517-0.1741 0.2370 ( 8321 PWs) bands (ev): -40.8670 -40.8670 -13.9844 -13.9843 -13.4442 -13.4438 -12.7447 -12.7443 -12.6324 -12.6324 -3.9755 -3.9751 -2.6173 -2.6166 -0.6020 -0.6004 -0.1398 -0.1397 0.3802 0.3804 0.7772 0.7772 2.6030 2.6031 2.7379 2.7380 3.4083 3.4083 3.5422 3.5427 3.7651 3.7654 4.0318 4.0323 6.1507 6.1518 7.8223 7.8225 11.1572 11.1572 11.5867 11.5874 k = 0.7506-0.1826 0.2486 ( 8308 PWs) bands (ev): -40.8670 -40.8670 -13.9810 -13.9810 -13.4471 -13.4471 -12.7500 -12.7500 -12.6279 -12.6279 -3.9610 -3.9610 -2.6276 -2.6276 -0.5945 -0.5945 -0.1805 -0.1805 0.4200 0.4200 0.7665 0.7665 2.5921 2.5921 2.7469 2.7469 3.4072 3.4072 3.5754 3.5754 3.7314 3.7314 4.0331 4.0331 6.1414 6.1414 7.8317 7.8317 11.1826 11.1826 11.5759 11.5760 k = 0.7506-0.1826 0.2486 ( 8308 PWs) bands (ev): -40.8670 -40.8670 -13.9810 -13.9810 -13.4471 -13.4471 -12.7500 -12.7500 -12.6279 -12.6279 -3.9610 -3.9610 -2.6276 -2.6276 -0.5945 -0.5945 -0.1805 -0.1805 0.4200 0.4200 0.7665 0.7665 2.5921 2.5921 2.7469 2.7469 3.4072 3.4072 3.5754 3.5754 3.7314 3.7314 4.0331 4.0331 6.1414 6.1414 7.8317 7.8317 11.1826 11.1826 11.5759 11.5759 k = 0.7427-0.1790 0.2603 ( 8312 PWs) bands (ev): -40.8670 -40.8670 -13.9781 -13.9780 -13.4506 -13.4506 -12.7552 -12.7548 -12.6232 -12.6227 -3.9465 -3.9463 -2.6380 -2.6374 -0.5885 -0.5885 -0.2207 -0.2200 0.4615 0.4615 0.7546 0.7554 2.5789 2.5793 2.7562 2.7566 3.4034 3.4043 3.6070 3.6072 3.6978 3.6986 4.0347 4.0347 6.1338 6.1343 7.8420 7.8422 11.2058 11.2067 11.5584 11.5590 k = 0.7349-0.1753 0.2720 ( 8320 PWs) bands (ev): -40.8670 -40.8670 -13.9758 -13.9757 -13.4539 -13.4539 -12.7603 -12.7596 -12.6180 -12.6171 -3.9325 -3.9322 -2.6466 -2.6455 -0.5829 -0.5829 -0.2595 -0.2582 0.5043 0.5044 0.7409 0.7425 2.5646 2.5655 2.7651 2.7658 3.3944 3.3962 3.6383 3.6387 3.6672 3.6690 4.0364 4.0364 6.1284 6.1294 7.8535 7.8538 11.2236 11.2254 11.5442 11.5453 k = 0.7271-0.1717 0.2836 ( 8323 PWs) bands (ev): -40.8670 -40.8670 -13.9741 -13.9739 -13.4570 -13.4570 -12.7652 -12.7642 -12.6124 -12.6111 -3.9191 -3.9187 -2.6535 -2.6517 -0.5776 -0.5775 -0.2967 -0.2947 0.5484 0.5486 0.7256 0.7280 2.5498 2.5511 2.7734 2.7743 3.3786 3.3816 3.6410 3.6439 3.6692 3.6698 4.0380 4.0380 6.1251 6.1266 7.8661 7.8666 11.2338 11.2363 11.5356 11.5370 k = 0.7192-0.1680 0.2953 ( 8325 PWs) bands (ev): -40.8670 -40.8670 -13.9729 -13.9727 -13.4600 -13.4600 -12.7699 -12.7686 -12.6065 -12.6048 -3.9065 -3.9060 -2.6585 -2.6561 -0.5727 -0.5725 -0.3322 -0.3296 0.5937 0.5940 0.7087 0.7120 2.5346 2.5365 2.7810 2.7822 3.3552 3.3592 3.6210 3.6249 3.6991 3.6999 4.0394 4.0395 6.1240 6.1260 7.8799 7.8806 11.2346 11.2375 11.5347 11.5362 k = 0.7114-0.1644 0.3070 ( 8316 PWs) bands (ev): -40.8670 -40.8670 -13.9722 -13.9719 -13.4628 -13.4628 -12.7743 -12.7728 -12.6005 -12.5984 -3.8948 -3.8941 -2.6616 -2.6585 -0.5681 -0.5679 -0.3658 -0.3626 0.6399 0.6406 0.6906 0.6945 2.5193 2.5218 2.7879 2.7892 3.3241 3.3288 3.6072 3.6119 3.7279 3.7288 4.0407 4.0407 6.1251 6.1276 7.8951 7.8959 11.2252 11.2284 11.5421 11.5434 k = 0.7036-0.1607 0.3187 ( 8319 PWs) bands (ev): -40.8670 -40.8670 -13.9720 -13.9717 -13.4654 -13.4654 -12.7785 -12.7768 -12.5943 -12.5919 -3.8839 -3.8831 -2.6628 -2.6591 -0.5639 -0.5635 -0.3974 -0.3936 0.6682 0.6752 0.6886 0.6900 2.5042 2.5072 2.7940 2.7955 3.2863 3.2915 3.5989 3.6041 3.7552 3.7562 4.0416 4.0417 6.1285 6.1314 7.9116 7.9126 11.2066 11.2098 11.5569 11.5578 k = 0.6957-0.1570 0.3304 ( 8318 PWs) bands (ev): -40.8670 -40.8670 -13.9722 -13.9718 -13.4678 -13.4678 -12.7824 -12.7805 -12.5881 -12.5854 -3.8739 -3.8730 -2.6622 -2.6578 -0.5600 -0.5596 -0.4268 -0.4225 0.6487 0.6554 0.7369 0.7371 2.4893 2.4929 2.7994 2.8010 3.2432 3.2487 3.5949 3.6004 3.7807 3.7818 4.0423 4.0424 6.1341 6.1376 7.9296 7.9307 11.1806 11.1837 11.5771 11.5776 k = 0.6879-0.1534 0.3420 ( 8318 PWs) bands (ev): -40.8670 -40.8670 -13.9728 -13.9724 -13.4700 -13.4700 -12.7859 -12.7839 -12.5820 -12.5791 -3.8649 -3.8639 -2.6597 -2.6547 -0.5567 -0.5560 -0.4540 -0.4492 0.6269 0.6344 0.7863 0.7863 2.4747 2.4789 2.8041 2.8058 3.1960 3.2017 3.5940 3.5996 3.8041 3.8054 4.0426 4.0427 6.1421 6.1460 7.9491 7.9504 11.1490 11.1520 11.6009 11.6010 k = 0.6801-0.1497 0.3537 ( 8310 PWs) bands (ev): -40.8670 -40.8670 -13.9738 -13.9733 -13.4720 -13.4720 -12.7892 -12.7869 -12.5760 -12.5728 -3.8569 -3.8558 -2.6554 -2.6497 -0.5539 -0.5528 -0.4786 -0.4735 0.6042 0.6126 0.8362 0.8363 2.4606 2.4654 2.8081 2.8099 3.1459 3.1517 3.5953 3.6009 3.8252 3.8267 4.0425 4.0427 6.1524 6.1567 7.9702 7.9716 11.1131 11.1160 11.6071 11.6267 k = 0.6723-0.1461 0.3654 ( 8310 PWs) bands (ev): -40.8670 -40.8670 -13.9751 -13.9746 -13.4738 -13.4737 -12.7921 -12.7897 -12.5702 -12.5668 -3.8499 -3.8487 -2.6494 -2.6429 -0.5522 -0.5504 -0.5003 -0.4952 0.5809 0.5902 0.8866 0.8869 2.4470 2.4523 2.8113 2.8133 3.0935 3.0994 3.5980 3.6037 3.8439 3.8455 4.0419 4.0421 6.1650 6.1697 7.9929 7.9945 11.0740 11.0769 11.5604 11.5606 k = 0.6644-0.1424 0.3771 ( 8310 PWs) bands (ev): -40.8670 -40.8670 -13.9768 -13.9762 -13.4753 -13.4753 -12.7947 -12.7921 -12.5647 -12.5611 -3.8440 -3.8427 -2.6416 -2.6344 -0.5526 -0.5491 -0.5177 -0.5136 0.5572 0.5673 0.9375 0.9379 2.4339 2.4398 2.8139 2.8160 3.0396 3.0455 3.6018 3.6076 3.8598 3.8615 4.0408 4.0411 6.1800 6.1851 8.0172 8.0190 11.0323 11.0353 11.5332 11.5334 k = 0.6566-0.1388 0.3887 ( 8308 PWs) bands (ev): -40.8670 -40.8670 -13.9787 -13.9781 -13.4766 -13.4766 -12.7969 -12.7942 -12.5595 -12.5557 -3.8391 -3.8378 -2.6322 -2.6243 -0.5578 -0.5510 -0.5283 -0.5269 0.5333 0.5442 0.9886 0.9891 2.4215 2.4279 2.8159 2.8180 2.9844 2.9905 3.6065 3.6122 3.8729 3.8747 4.0393 4.0395 6.1973 6.2027 8.0432 8.0452 10.9885 10.9916 11.5065 11.5066 k = 0.6488-0.1351 0.4004 ( 8314 PWs) bands (ev): -40.8670 -40.8670 -13.9809 -13.9802 -13.4777 -13.4777 -12.7988 -12.7959 -12.5546 -12.5507 -3.8353 -3.8339 -2.6212 -2.6125 -0.5679 -0.5584 -0.5324 -0.5319 0.5094 0.5211 1.0397 1.0403 2.4097 2.4166 2.8171 2.8193 2.9286 2.9347 3.6118 3.6175 3.8830 3.8850 4.0371 4.0375 6.2168 6.2225 8.0709 8.0731 10.9430 10.9462 11.4802 11.4803 k = 0.6409-0.1314 0.4121 ( 8318 PWs) bands (ev): -40.8670 -40.8670 -13.9833 -13.9826 -13.4786 -13.4786 -12.8002 -12.7973 -12.5502 -12.5460 -3.8325 -3.8311 -2.6087 -2.5992 -0.5791 -0.5685 -0.5331 -0.5321 0.4856 0.4981 1.0906 1.0914 2.3985 2.4059 2.8176 2.8199 2.8722 2.8784 3.6177 3.6234 3.8901 3.8923 4.0345 4.0348 6.2385 6.2445 8.1002 8.1026 10.8959 10.8993 11.4543 11.4545 k = 0.6331-0.1278 0.4238 ( 8321 PWs) bands (ev): -40.8670 -40.8670 -13.9860 -13.9853 -13.4792 -13.4792 -12.8014 -12.7983 -12.5461 -12.5418 -3.8308 -3.8295 -2.5946 -2.5844 -0.5892 -0.5778 -0.5324 -0.5314 0.4621 0.4753 1.1412 1.1422 2.3881 2.3960 2.8136 2.8190 2.8194 2.8227 3.6241 3.6298 3.8942 3.8965 4.0312 4.0316 6.2624 6.2687 8.1312 8.1337 10.8474 10.8510 11.4289 11.4291 k = 0.6253-0.1241 0.4355 ( 8326 PWs) bands (ev): -40.8670 -40.8670 -13.9889 -13.9882 -13.4796 -13.4796 -12.8021 -12.7989 -12.5425 -12.5381 -3.8303 -3.8289 -2.5791 -2.5681 -0.5973 -0.5852 -0.5314 -0.5304 0.4391 0.4528 1.1912 1.1924 2.3785 2.3868 2.7587 2.7654 2.8168 2.8190 3.6310 3.6367 3.8952 3.8977 4.0274 4.0278 6.2883 6.2948 8.1637 8.1665 10.7977 10.8016 11.4040 11.4042 k = 0.6174-0.1205 0.4471 ( 8328 PWs) bands (ev): -40.8670 -40.8670 -13.9921 -13.9913 -13.4797 -13.4797 -12.8025 -12.7991 -12.5394 -12.5348 -3.8309 -3.8295 -2.5620 -2.5504 -0.6031 -0.5903 -0.5304 -0.5294 0.4166 0.4309 1.2404 1.2418 2.3697 2.3784 2.7024 2.7093 2.8150 2.8174 3.6384 3.6442 3.8933 3.8959 4.0230 4.0235 6.3161 6.3228 8.1977 8.2007 10.7468 10.7510 11.3795 11.3798 k = 0.6096-0.1168 0.4588 ( 8324 PWs) bands (ev): -40.8670 -40.8670 -13.9954 -13.9947 -13.4796 -13.4796 -12.8024 -12.7990 -12.5367 -12.5319 -3.8326 -3.8312 -2.5436 -2.5312 -0.6066 -0.5931 -0.5295 -0.5285 0.3946 0.4095 1.2886 1.2902 2.3616 2.3707 2.6465 2.6536 2.8125 2.8149 3.6463 3.6521 3.8885 3.8913 4.0181 4.0186 6.3456 6.3525 8.2332 8.2363 10.6950 10.6995 11.3555 11.3557 k = 0.6018-0.1131 0.4705 ( 8320 PWs) bands (ev): -40.8670 -40.8670 -13.9991 -13.9983 -13.4793 -13.4792 -12.8020 -12.7985 -12.5344 -12.5295 -3.8356 -3.8341 -2.5236 -2.5106 -0.6077 -0.5935 -0.5288 -0.5278 0.3734 0.3887 1.3354 1.3373 2.3545 2.3639 2.5913 2.5987 2.8092 2.8116 3.6549 3.6607 3.8810 3.8839 4.0126 4.0131 6.3767 6.3838 8.2699 8.2732 10.6422 10.6471 11.3319 11.3321 k = 0.5940-0.1095 0.4822 ( 8324 PWs) bands (ev): -40.8670 -40.8670 -14.0029 -14.0021 -13.4786 -13.4786 -12.8013 -12.7976 -12.5326 -12.5275 -3.8397 -3.8383 -2.5021 -2.4886 -0.6064 -0.5915 -0.5284 -0.5272 0.3530 0.3687 1.3805 1.3829 2.3481 2.3580 2.5370 2.5447 2.8050 2.8075 3.6641 3.6700 3.8710 3.8740 4.0066 4.0071 6.4093 6.4165 8.3079 8.3113 10.5885 10.5939 11.3087 11.3090 k = 0.5861-0.1058 0.4938 ( 8324 PWs) bands (ev): -40.8670 -40.8670 -14.0070 -14.0062 -13.4778 -13.4778 -12.8001 -12.7963 -12.5312 -12.5260 -3.8451 -3.8437 -2.4792 -2.4650 -0.6027 -0.5872 -0.5281 -0.5269 0.3333 0.3493 1.4237 1.4264 2.3427 2.3528 2.4839 2.4919 2.7997 2.8023 3.6741 3.6799 3.8585 3.8617 4.0001 4.0006 6.4431 6.4504 8.3468 8.3503 10.5341 10.5399 11.2859 11.2862 k = 0.5783-0.1022 0.5055 ( 8326 PWs) bands (ev): -40.8670 -40.8670 -14.0113 -14.0106 -13.4767 -13.4767 -12.7986 -12.7946 -12.5301 -12.5248 -3.8518 -3.8503 -2.4546 -2.4399 -0.5968 -0.5805 -0.5281 -0.5267 0.3143 0.3306 1.4645 1.4678 2.3380 2.3485 2.4323 2.4407 2.7935 2.7961 3.6848 3.6907 3.8439 3.8472 3.9931 3.9937 6.4779 6.4853 8.3866 8.3902 10.4790 10.4854 11.2635 11.2638 k = 0.5705-0.0985 0.5172 ( 8320 PWs) bands (ev): -40.8670 -40.8670 -14.0160 -14.0152 -13.4753 -13.4753 -12.7966 -12.7926 -12.5294 -12.5241 -3.8598 -3.8583 -2.4285 -2.4133 -0.5887 -0.5716 -0.5281 -0.5265 0.2961 0.3125 1.5026 1.5064 2.3340 2.3450 2.3828 2.3915 2.7861 2.7888 3.6964 3.7023 3.8274 3.8308 3.9858 3.9863 6.5136 6.5211 8.4271 8.4306 10.4234 10.4303 11.2415 11.2419 k = 0.5626-0.0949 0.5289 ( 8318 PWs) bands (ev): -40.8670 -40.8670 -14.0209 -14.0201 -13.4737 -13.4737 -12.7943 -12.7902 -12.5291 -12.5236 -3.8691 -3.8676 -2.4007 -2.3851 -0.5788 -0.5608 -0.5280 -0.5262 0.2787 0.2952 1.5374 1.5418 2.3263 2.3388 2.3400 2.3479 2.7775 2.7803 3.7089 3.7148 3.8092 3.8128 3.9781 3.9785 6.5500 6.5576 8.4679 8.4714 10.3673 10.3748 11.2199 11.2203 k = 0.5548-0.0912 0.5406 ( 8312 PWs) bands (ev): -40.8670 -40.8670 -14.0261 -14.0253 -13.4719 -13.4719 -12.7916 -12.7874 -12.5290 -12.5234 -3.8797 -3.8781 -2.3712 -2.3553 -0.5675 -0.5492 -0.5269 -0.5252 0.2620 0.2785 1.5684 1.5735 2.2876 2.2987 2.3315 2.3417 2.7677 2.7705 3.7223 3.7282 3.7896 3.7934 3.9700 3.9705 6.5869 6.5946 8.5089 8.5123 10.3110 10.3191 11.1987 11.1991 k = 0.5470-0.0875 0.5522 ( 8313 PWs) bands (ev): -40.8670 -40.8670 -14.0316 -14.0308 -13.4698 -13.4698 -12.7886 -12.7842 -12.5291 -12.5234 -3.8916 -3.8900 -2.3400 -2.3237 -0.5564 -0.5407 -0.5221 -0.5207 0.2460 0.2623 1.5950 1.6010 2.2460 2.2576 2.3300 2.3406 2.7564 2.7593 3.7367 3.7426 3.7689 3.7729 3.9617 3.9622 6.6241 6.6318 8.5497 8.5529 10.2545 10.2633 11.1779 11.1783 k = 0.5391-0.0839 0.5639 ( 8309 PWs) bands (ev): -40.8670 -40.8670 -14.0375 -14.0367 -13.4675 -13.4675 -12.7851 -12.7807 -12.5295 -12.5236 -3.9048 -3.9031 -2.3071 -2.2905 -0.5485 -0.5386 -0.5141 -0.5062 0.2306 0.2467 1.6166 1.6234 2.2078 2.2201 2.3295 2.3403 2.7437 2.7466 3.7467 3.7514 3.7528 3.7582 3.9532 3.9536 6.6614 6.6692 8.5901 8.5930 10.1981 10.2077 11.1575 11.1579 k = 0.5313-0.0802 0.5756 ( 8311 PWs) bands (ev): -40.8670 -40.8670 -14.0438 -14.0429 -13.4650 -13.4650 -12.7814 -12.7768 -12.5299 -12.5240 -3.9192 -3.9175 -2.2724 -2.2556 -0.5454 -0.5394 -0.4995 -0.4871 0.2159 0.2316 1.6324 1.6400 2.1738 2.1869 2.3299 2.3407 2.7294 2.7324 3.7251 3.7296 3.7689 3.7746 3.9446 3.9450 6.6986 6.7065 8.6297 8.6322 10.1421 10.1524 11.1375 11.1380 k = 0.5235-0.0766 0.5873 ( 8309 PWs) bands (ev): -40.8670 -40.8670 -14.0504 -14.0496 -13.4623 -13.4622 -12.7772 -12.7725 -12.5304 -12.5244 -3.9348 -3.9330 -2.2360 -2.2190 -0.5454 -0.5414 -0.4802 -0.4653 0.2017 0.2169 1.6419 1.6503 2.1449 2.1586 2.3308 2.3417 2.7134 2.7165 3.7029 3.7075 3.7863 3.7920 3.9359 3.9363 6.7357 6.7436 8.6681 8.6702 10.0866 10.0977 11.1181 11.1186 k = 0.5157-0.0729 0.5989 ( 8308 PWs) bands (ev): -40.8670 -40.8669 -14.0575 -14.0566 -13.4593 -13.4593 -12.7727 -12.7679 -12.5309 -12.5248 -3.9515 -3.9497 -2.1979 -2.1807 -0.5470 -0.5439 -0.4579 -0.4412 0.1881 0.2027 1.6448 1.6537 2.1214 2.1355 2.3321 2.3431 2.6957 2.6988 3.6806 3.6854 3.8046 3.8102 3.9274 3.9277 6.7724 6.7803 8.7049 8.7063 10.0320 10.0440 11.0992 11.0997 k = 0.5078-0.0692 0.6106 ( 8308 PWs) bands (ev): -40.8669 -40.8669 -14.0649 -14.0641 -13.4561 -13.4561 -12.7678 -12.7630 -12.5314 -12.5252 -3.9692 -3.9674 -2.1581 -2.1408 -0.5495 -0.5470 -0.4332 -0.4152 0.1751 0.1888 1.6409 1.6501 2.1034 2.1177 2.3337 2.3447 2.6762 2.6794 3.6586 3.6637 3.8237 3.8292 3.9190 3.9193 6.8085 6.8165 8.7396 8.7403 9.9787 9.9916 11.0809 11.0814 k = 0.5000-0.0656 0.6223 ( 8308 PWs) bands (ev): -40.8669 -40.8669 -14.0729 -14.0720 -13.4527 -13.4527 -12.7626 -12.7576 -12.5318 -12.5255 -3.9879 -3.9861 -2.1166 -2.0992 -0.5527 -0.5506 -0.4068 -0.3874 0.1626 0.1754 1.6309 1.6401 2.0905 2.1047 2.3355 2.3464 2.6549 2.6581 3.6373 3.6425 3.8432 3.8485 3.9114 3.9114 6.8440 6.8520 8.7716 8.7717 9.9271 9.9410 11.0633 11.0638 k = 0.5000 0.6135-0.1234 ( 8308 PWs) bands (ev): -40.8669 -40.8669 -14.0729 -14.0720 -13.4527 -13.4527 -12.7626 -12.7576 -12.5318 -12.5255 -3.9879 -3.9861 -2.1166 -2.0992 -0.5527 -0.5506 -0.4068 -0.3874 0.1626 0.1754 1.6309 1.6401 2.0905 2.1047 2.3355 2.3464 2.6549 2.6581 3.6373 3.6425 3.8432 3.8485 3.9114 3.9114 6.8440 6.8520 8.7716 8.7717 9.9271 9.9410 11.0633 11.0638 k = 0.5000 0.6017-0.1320 ( 8314 PWs) bands (ev): -40.8669 -40.8669 -14.0850 -14.0841 -13.4476 -13.4476 -12.7545 -12.7494 -12.5322 -12.5259 -4.0167 -4.0148 -2.0529 -2.0353 -0.5580 -0.5562 -0.3662 -0.3449 0.1458 0.1566 1.6108 1.6198 2.0761 2.0899 2.3376 2.3484 2.6217 2.6249 3.6062 3.6117 3.8708 3.8748 3.9016 3.9027 6.8951 6.9031 8.8130 8.8146 9.8537 9.8692 11.0370 11.0376 k = 0.5000 0.5900-0.1406 ( 8296 PWs) bands (ev): -40.8669 -40.8669 -14.0971 -14.0962 -13.4423 -13.4423 -12.7463 -12.7411 -12.5328 -12.5263 -4.0466 -4.0448 -1.9863 -1.9686 -0.5635 -0.5619 -0.3252 -0.3019 0.1309 0.1396 1.5887 1.5973 2.0641 2.0775 2.3390 2.3497 2.5875 2.5907 3.5749 3.5807 3.8824 3.8829 3.9073 3.9128 6.9449 6.9529 8.8487 8.8523 9.7831 9.8002 11.0091 11.0096 k = 0.5000 0.5783-0.1492 ( 8292 PWs) bands (ev): -40.8669 -40.8669 -14.1092 -14.1084 -13.4371 -13.4371 -12.7379 -12.7326 -12.5334 -12.5268 -4.0776 -4.0757 -1.9169 -1.8991 -0.5691 -0.5677 -0.2845 -0.2587 0.1184 0.1243 1.5649 1.5730 2.0545 2.0672 2.3392 2.3499 2.5526 2.5558 3.5435 3.5496 3.8733 3.8741 3.9338 3.9394 6.9931 7.0013 8.8775 8.8832 9.7164 9.7352 10.9797 10.9802 k = 0.5000 0.5666-0.1578 ( 8292 PWs) bands (ev): -40.8669 -40.8669 -14.1213 -14.1205 -13.4318 -13.4318 -12.7294 -12.7240 -12.5340 -12.5274 -4.1093 -4.1075 -1.8449 -1.8271 -0.5747 -0.5734 -0.2444 -0.2159 0.1085 0.1113 1.5395 1.5471 2.0470 2.0590 2.3378 2.3483 2.5177 2.5209 3.5121 3.5184 3.8626 3.8633 3.9623 3.9677 7.0397 7.0479 8.8979 8.9060 9.6549 9.6755 10.9488 10.9493 k = 0.5000 0.5549-0.1664 ( 8296 PWs) bands (ev): -40.8669 -40.8669 -14.1333 -14.1325 -13.4265 -13.4265 -12.7208 -12.7154 -12.5347 -12.5280 -4.1416 -4.1398 -1.7705 -1.7527 -0.5804 -0.5792 -0.2059 -0.1740 0.1010 0.1020 1.5129 1.5200 2.0412 2.0525 2.3337 2.3440 2.4837 2.4869 3.4806 3.4872 3.8516 3.8522 3.9908 3.9960 7.0845 7.0928 8.9086 8.9192 9.6000 9.6222 10.9167 10.9172 k = 0.5000 0.5432-0.1750 ( 8292 PWs) bands (ev): -40.8669 -40.8669 -14.1451 -14.1443 -13.4212 -13.4212 -12.7123 -12.7067 -12.5354 -12.5286 -4.1744 -4.1726 -1.6938 -1.6760 -0.5861 -0.5849 -0.1699 -0.1342 0.0942 0.0996 1.4855 1.4920 2.0371 2.0476 2.3250 2.3349 2.4526 2.4561 3.4493 3.4560 3.8406 3.8412 4.0192 4.0243 7.1272 7.1356 8.9086 8.9214 9.5529 9.5764 10.8835 10.8841 k = 0.5000 0.5315-0.1836 ( 8300 PWs) bands (ev): -40.8669 -40.8669 -14.1568 -14.1560 -13.4160 -13.4160 -12.7037 -12.6980 -12.5362 -12.5293 -4.2073 -4.2057 -1.6150 -1.5973 -0.5917 -0.5906 -0.1379 -0.0983 0.0925 0.1026 1.4574 1.4634 2.0342 2.0440 2.3089 2.3179 2.4273 2.4313 3.4180 3.4250 3.8298 3.8303 4.0473 4.0522 7.1677 7.1761 8.8977 8.9123 9.5144 9.5383 10.8495 10.8500 k = 0.5000 0.5198-0.1922 ( 8308 PWs) bands (ev): -40.8669 -40.8669 -14.1682 -14.1674 -13.4108 -13.4108 -12.6952 -12.6894 -12.5369 -12.5301 -4.2403 -4.2388 -1.5343 -1.5167 -0.5972 -0.5962 -0.1113 -0.0687 0.0983 0.1120 1.4291 1.4345 2.0324 2.0416 2.2832 2.2911 2.4098 2.4147 3.3870 3.3941 3.8191 3.8197 4.0750 4.0797 7.2058 7.2142 8.8765 8.8922 9.4840 9.5076 10.8148 10.8153 k = 0.5000 0.5081-0.2008 ( 8306 PWs) bands (ev): -40.8669 -40.8669 -14.1794 -14.1786 -13.4057 -13.4057 -12.6868 -12.6809 -12.5377 -12.5308 -4.2732 -4.2717 -1.4519 -1.4344 -0.6026 -0.6016 -0.0911 -0.0479 0.1136 0.1287 1.4007 1.4057 2.0316 2.0401 2.2490 2.2559 2.3993 2.4049 3.3562 3.3634 3.8088 3.8093 4.1023 4.1067 7.2411 7.2497 8.8468 8.8629 9.4607 9.4831 10.7796 10.7801 k = 0.5000 0.4964-0.2094 ( 8304 PWs) bands (ev): -40.8669 -40.8669 -14.1903 -14.1895 -13.4007 -13.4007 -12.6785 -12.6726 -12.5384 -12.5315 -4.3057 -4.3043 -1.3679 -1.3506 -0.6079 -0.6070 -0.0771 -0.0362 0.1386 0.1521 1.3726 1.3771 2.0314 2.0393 2.2088 2.2151 2.3932 2.3992 3.3258 3.3331 3.7987 3.7992 4.1289 4.1332 7.2736 7.2822 8.8108 8.8267 9.4425 9.4631 10.7442 10.7447 k = 0.5000 0.4847-0.2180 ( 8304 PWs) bands (ev): -40.8669 -40.8669 -14.2008 -14.2001 -13.3959 -13.3958 -12.6704 -12.6644 -12.5391 -12.5322 -4.3377 -4.3364 -1.2827 -1.2656 -0.6130 -0.6122 -0.0681 -0.0311 0.1703 0.1808 1.3448 1.3489 2.0319 2.0391 2.1649 2.1707 2.3895 2.3957 3.2958 3.3032 3.7890 3.7895 4.1549 4.1590 7.3029 7.3115 8.7708 8.7861 9.4275 9.4460 10.7087 10.7093 k = 0.5000 0.4730-0.2266 ( 8308 PWs) bands (ev): -40.8669 -40.8669 -14.2110 -14.2103 -13.3911 -13.3911 -12.6625 -12.6565 -12.5398 -12.5329 -4.3690 -4.3678 -1.1964 -1.1795 -0.6180 -0.6172 -0.0626 -0.0299 0.2057 0.2127 1.3177 1.3214 2.0327 2.0394 2.1185 2.1239 2.3871 2.3932 3.2663 3.2737 3.7797 3.7801 4.1802 4.1841 7.3289 7.3375 8.7291 8.7436 9.4142 9.4304 10.6736 10.6741 k = 0.5000 0.4613-0.2352 ( 8298 PWs) bands (ev): -40.8669 -40.8669 -14.2207 -14.2201 -13.3865 -13.3865 -12.6549 -12.6489 -12.5404 -12.5335 -4.3994 -4.3983 -1.1092 -1.0926 -0.6227 -0.6220 -0.0592 -0.0305 0.2425 0.2463 1.2914 1.2947 2.0335 2.0396 2.0706 2.0758 2.3853 2.3913 3.2375 3.2448 3.7707 3.7711 4.2047 4.2083 7.3513 7.3598 8.6873 8.7010 9.4015 9.4153 10.6388 10.6394 k = 0.5000 0.4495-0.2438 ( 8300 PWs) bands (ev): -40.8669 -40.8669 -14.2300 -14.2294 -13.3821 -13.3821 -12.6476 -12.6416 -12.5409 -12.5341 -4.4289 -4.4279 -1.0214 -1.0052 -0.6273 -0.6266 -0.0569 -0.0320 0.2791 0.2802 1.2660 1.2690 2.0184 2.0237 2.0376 2.0431 2.3838 2.3896 3.2094 3.2167 3.7622 3.7626 4.2283 4.2317 7.3699 7.3784 8.6470 8.6598 9.3886 9.4002 10.6048 10.6054 k = 0.5000 0.4378-0.2524 ( 8292 PWs) bands (ev): -40.8669 -40.8669 -14.2389 -14.2383 -13.3779 -13.3779 -12.6407 -12.6348 -12.5412 -12.5345 -4.4572 -4.4563 -0.9333 -0.9176 -0.6316 -0.6310 -0.0552 -0.0337 0.3133 0.3146 1.2417 1.2444 1.9694 1.9744 2.0380 2.0431 2.3824 2.3879 3.1822 3.1893 3.7541 3.7545 4.2509 4.2541 7.3848 7.3931 8.6093 8.6212 9.3752 9.3848 10.5718 10.5723 k = 0.5000 0.4261-0.2610 ( 8312 PWs) bands (ev): -40.8669 -40.8669 -14.2473 -14.2467 -13.3739 -13.3739 -12.6342 -12.6283 -12.5415 -12.5349 -4.4842 -4.4834 -0.8453 -0.8301 -0.6356 -0.6351 -0.0537 -0.0354 0.3447 0.3482 1.2185 1.2210 1.9188 1.9236 2.0397 2.0443 2.3811 2.3863 3.1559 3.1629 3.7465 3.7468 4.2724 4.2754 7.3958 7.4038 8.5750 8.5860 9.3613 9.3690 10.5399 10.5404 k = 0.5000 0.4144-0.2697 ( 8316 PWs) bands (ev): -40.8669 -40.8669 -14.2551 -14.2546 -13.3701 -13.3701 -12.6281 -12.6223 -12.5416 -12.5352 -4.5097 -4.5090 -0.7577 -0.7432 -0.6392 -0.6388 -0.0520 -0.0368 0.3737 0.3792 1.1967 1.1989 1.8681 1.8729 2.0415 2.0457 2.3797 2.3846 3.1308 3.1375 3.7394 3.7397 4.2928 4.2956 7.4032 7.4108 8.5447 8.5547 9.3469 9.3529 10.5093 10.5099 k = 0.5000 0.4027-0.2783 ( 8316 PWs) bands (ev): -40.8669 -40.8669 -14.2624 -14.2619 -13.3666 -13.3666 -12.6225 -12.6169 -12.5416 -12.5354 -4.5337 -4.5331 -0.6722 -0.6606 -0.6408 -0.6392 -0.0499 -0.0377 0.3995 0.4069 1.1763 1.1783 1.8179 1.8226 2.0434 2.0472 2.3782 2.3828 3.1070 3.1134 3.7327 3.7330 4.3119 4.3145 7.4071 7.4142 8.5185 8.5276 9.3322 9.3368 10.4804 10.4809 k = 0.5000 0.3910-0.2869 ( 8324 PWs) bands (ev): -40.8669 -40.8669 -14.2691 -14.2687 -13.3633 -13.3633 -12.6173 -12.6120 -12.5414 -12.5355 -4.5560 -4.5555 -0.6479 -0.6475 -0.5830 -0.5704 -0.0472 -0.0381 0.4216 0.4307 1.1575 1.1592 1.7688 1.7735 2.0452 2.0486 2.3767 2.3809 3.0845 3.0906 3.7266 3.7269 4.3297 4.3321 7.4079 7.4145 8.4965 8.5046 9.3175 9.3208 10.4533 10.4537 k = 0.5000 0.3793-0.2955 ( 8322 PWs) bands (ev): -40.8669 -40.8669 -14.2753 -14.2749 -13.3603 -13.3603 -12.6127 -12.6077 -12.5410 -12.5354 -4.5765 -4.5761 -0.6504 -0.6500 -0.4995 -0.4882 -0.0436 -0.0378 0.4391 0.4498 1.1401 1.1416 1.7214 1.7260 2.0470 2.0500 2.3751 2.3789 3.0637 3.0693 3.7211 3.7213 4.3461 4.3483 7.4060 7.4120 8.4785 8.4857 9.3030 9.3053 10.4281 10.4285 k = 0.5000 0.3676-0.3041 ( 8322 PWs) bands (ev): -40.8669 -40.8669 -14.2808 -14.2805 -13.3576 -13.3576 -12.6086 -12.6039 -12.5404 -12.5353 -4.5951 -4.5947 -0.6530 -0.6526 -0.4182 -0.4088 -0.0385 -0.0364 0.4515 0.4637 1.1245 1.1258 1.6764 1.6810 2.0487 2.0514 2.3735 2.3769 3.0446 3.0497 3.7161 3.7163 4.3611 4.3630 7.4021 7.4075 8.4642 8.4704 9.2891 9.2906 10.4051 10.4055 k = 0.5000 0.3559-0.3127 ( 8322 PWs) bands (ev): -40.8669 -40.8669 -14.2858 -14.2855 -13.3551 -13.3551 -12.6050 -12.6008 -12.5398 -12.5352 -4.6118 -4.6114 -0.6554 -0.6551 -0.3407 -0.3339 -0.0334 -0.0312 0.4583 0.4718 1.1105 1.1116 1.6346 1.6390 2.0503 2.0526 2.3719 2.3749 3.0273 3.0320 3.7117 3.7118 4.3745 4.3761 7.3968 7.4015 8.4532 8.4585 9.2760 9.2768 10.3844 10.3848 k = 0.5000 0.3442-0.3213 ( 8322 PWs) bands (ev): -40.8669 -40.8669 -14.2901 -14.2898 -13.3530 -13.3530 -12.6019 -12.5982 -12.5390 -12.5349 -4.6264 -4.6261 -0.6575 -0.6572 -0.2690 -0.2659 -0.0275 -0.0202 0.4590 0.4736 1.0983 1.0993 1.5968 1.6010 2.0517 2.0537 2.3704 2.3729 3.0121 3.0162 3.7078 3.7080 4.3862 4.3876 7.3907 7.3948 8.4450 8.4494 9.2640 9.2644 10.3662 10.3665 k = 0.5000 0.3325-0.3299 ( 8330 PWs) bands (ev): -40.8669 -40.8669 -14.2937 -14.2935 -13.3512 -13.3512 -12.5993 -12.5962 -12.5381 -12.5347 -4.6388 -4.6386 -0.6593 -0.6591 -0.2081 -0.2065 -0.0163 -0.0031 0.4537 0.4690 1.0879 1.0887 1.5637 1.5675 2.0530 2.0546 2.3689 2.3711 2.9990 3.0025 3.7045 3.7046 4.3963 4.3975 7.3845 7.3878 8.4391 8.4426 9.2534 9.2535 10.3505 10.3508 k = 0.5000 0.3208-0.3385 ( 8334 PWs) bands (ev): -40.8669 -40.8669 -14.2967 -14.2966 -13.3497 -13.3497 -12.5972 -12.5946 -12.5373 -12.5345 -4.6491 -4.6489 -0.6608 -0.6606 -0.1643 -0.1583 0.0039 0.0222 0.4428 0.4583 1.0794 1.0800 1.5359 1.5393 2.0540 2.0553 2.3677 2.3694 2.9882 2.9910 3.7018 3.7019 4.4046 4.4056 7.3786 7.3813 8.4350 8.4377 9.2443 9.2444 10.3376 10.3378 k = 0.5000 0.3091-0.3471 ( 8338 PWs) bands (ev): -40.8669 -40.8669 -14.2991 -14.2989 -13.3485 -13.3485 -12.5955 -12.5935 -12.5365 -12.5344 -4.6571 -4.6570 -0.6619 -0.6618 -0.1353 -0.1278 0.0347 0.0543 0.4279 0.4426 1.0727 1.0732 1.5140 1.5167 2.0549 2.0559 2.3667 2.3680 2.9798 2.9819 3.6997 3.6998 4.4112 4.4119 7.3736 7.3756 8.4323 8.4343 9.2370 9.2372 10.3274 10.3276 k = 0.5000 0.2973-0.3557 ( 8354 PWs) bands (ev): -40.8669 -40.8669 -14.3007 -14.3007 -13.3477 -13.3477 -12.5942 -12.5929 -12.5358 -12.5344 -4.6629 -4.6628 -0.6628 -0.6627 -0.1182 -0.1121 0.0701 0.0866 0.4120 0.4243 1.0680 1.0683 1.4984 1.5003 2.0556 2.0562 2.3660 2.3669 2.9738 2.9753 3.6982 3.6983 4.4159 4.4164 7.3698 7.3711 8.4307 8.4320 9.2317 9.2318 10.3201 10.3203 k = 0.5000 0.2856-0.3643 ( 8366 PWs) bands (ev): -40.8669 -40.8669 -14.3017 -14.3017 -13.3472 -13.3472 -12.5933 -12.5927 -12.5352 -12.5345 -4.6663 -4.6663 -0.6632 -0.6632 -0.1089 -0.1057 0.1000 0.1097 0.4002 0.4075 1.0652 1.0653 1.4891 1.4901 2.0561 2.0564 2.3657 2.3661 2.9704 2.9711 3.6973 3.6974 4.4188 4.4191 7.3676 7.3682 8.4299 8.4306 9.2285 9.2286 10.3158 10.3158 k = 0.5000 0.2739-0.3729 ( 8370 PWs) bands (ev): -40.8669 -40.8669 -14.3021 -14.3021 -13.3470 -13.3470 -12.5928 -12.5928 -12.5348 -12.5348 -4.6675 -4.6675 -0.6634 -0.6634 -0.1050 -0.1050 0.1150 0.1150 0.3981 0.3981 1.0643 1.0643 1.4864 1.4864 2.0563 2.0563 2.3657 2.3657 2.9694 2.9694 3.6971 3.6971 4.4199 4.4199 7.3670 7.3670 8.4299 8.4299 9.2275 9.2275 10.3143 10.3143 k = 0.0000 0.5938 0.4363 ( 8328 PWs) bands (ev): -40.8670 -40.8670 -14.0441 -14.0441 -13.3748 -13.3748 -12.7204 -12.7204 -12.6472 -12.6472 -4.2993 -4.2993 -2.3294 -2.3294 -0.7421 -0.7421 -0.2520 -0.2520 0.6558 0.6558 1.3359 1.3359 2.4576 2.4576 2.5752 2.5752 2.9255 2.9255 3.4295 3.4295 4.0061 4.0061 4.2988 4.2988 6.3387 6.3387 7.5573 7.5573 10.6651 10.6651 11.7270 11.7270 k = 0.0108 0.5998 0.4282 ( 8322 PWs) bands (ev): -40.8670 -40.8670 -14.0439 -14.0439 -13.3749 -13.3749 -12.7201 -12.7201 -12.6474 -12.6474 -4.2985 -4.2985 -2.3302 -2.3302 -0.7417 -0.7417 -0.2508 -0.2508 0.6544 0.6544 1.3318 1.3318 2.4582 2.4582 2.5797 2.5797 2.9248 2.9248 3.4295 3.4295 4.0062 4.0062 4.2977 4.2977 6.3381 6.3381 7.5582 7.5582 10.6663 10.6663 11.7274 11.7274 k = 0.0217 0.6057 0.4201 ( 8326 PWs) bands (ev): -40.8670 -40.8670 -14.0435 -14.0435 -13.3755 -13.3755 -12.7195 -12.7195 -12.6481 -12.6481 -4.2960 -4.2960 -2.3327 -2.3327 -0.7404 -0.7404 -0.2470 -0.2470 0.6502 0.6502 1.3196 1.3196 2.4600 2.4600 2.5932 2.5932 2.9228 2.9228 3.4294 3.4294 4.0063 4.0063 4.2943 4.2943 6.3363 6.3363 7.5609 7.5609 10.6699 10.6699 11.7283 11.7283 k = 0.0325 0.6117 0.4120 ( 8326 PWs) bands (ev): -40.8670 -40.8670 -14.0428 -14.0428 -13.3763 -13.3763 -12.7185 -12.7185 -12.6493 -12.6493 -4.2918 -4.2918 -2.3368 -2.3368 -0.7382 -0.7382 -0.2408 -0.2408 0.6432 0.6432 1.3002 1.3002 2.4629 2.4629 2.6149 2.6149 2.9195 2.9195 3.4291 3.4291 4.0066 4.0066 4.2887 4.2887 6.3334 6.3334 7.5653 7.5653 10.6759 10.6759 11.7298 11.7298 k = 0.0434 0.6176 0.4039 ( 8326 PWs) bands (ev): -40.8670 -40.8670 -14.0418 -14.0418 -13.3775 -13.3775 -12.7170 -12.7170 -12.6510 -12.6510 -4.2860 -4.2860 -2.3426 -2.3426 -0.7352 -0.7352 -0.2320 -0.2320 0.6332 0.6332 1.2745 1.2745 2.4670 2.4670 2.6439 2.6439 2.9149 2.9150 3.4288 3.4288 4.0070 4.0070 4.2809 4.2809 6.3293 6.3293 7.5713 7.5713 10.6842 10.6842 11.7317 11.7317 k = 0.0542 0.6236 0.3958 ( 8338 PWs) bands (ev): -40.8670 -40.8670 -14.0406 -14.0406 -13.3790 -13.3790 -12.7152 -12.7152 -12.6531 -12.6531 -4.2787 -4.2787 -2.3499 -2.3499 -0.7314 -0.7314 -0.2207 -0.2207 0.6199 0.6199 1.2440 1.2440 2.4722 2.4722 2.6792 2.6792 2.9091 2.9091 3.4284 3.4284 4.0074 4.0074 4.2709 4.2709 6.3242 6.3242 7.5789 7.5789 10.6948 10.6948 11.7339 11.7339 k = 0.0651 0.6295 0.3877 ( 8342 PWs) bands (ev): -40.8670 -40.8670 -14.0390 -14.0390 -13.3808 -13.3808 -12.7129 -12.7129 -12.6557 -12.6557 -4.2697 -4.2697 -2.3587 -2.3587 -0.7268 -0.7268 -0.2069 -0.2069 0.6032 0.6032 1.2099 1.2099 2.4785 2.4785 2.7197 2.7197 2.9020 2.9020 3.4279 3.4279 4.0080 4.0080 4.2587 4.2587 6.3181 6.3181 7.5879 7.5879 10.7077 10.7077 11.7362 11.7362 k = 0.0759 0.6354 0.3797 ( 8350 PWs) bands (ev): -40.8670 -40.8670 -14.0373 -14.0373 -13.3830 -13.3830 -12.7102 -12.7102 -12.6586 -12.6586 -4.2593 -4.2593 -2.3689 -2.3689 -0.7216 -0.7216 -0.1904 -0.1904 0.5828 0.5828 1.1737 1.1737 2.4858 2.4858 2.7642 2.7642 2.8936 2.8936 3.4274 3.4274 4.0087 4.0087 4.2442 4.2442 6.3111 6.3111 7.5983 7.5983 10.7228 10.7228 11.7385 11.7385 k = 0.0868 0.6414 0.3716 ( 8354 PWs) bands (ev): -40.8670 -40.8670 -14.0352 -14.0352 -13.3854 -13.3854 -12.7072 -12.7072 -12.6621 -12.6621 -4.2474 -4.2474 -2.3804 -2.3804 -0.7158 -0.7158 -0.1714 -0.1714 0.5584 0.5584 1.1366 1.1366 2.4942 2.4942 2.8119 2.8119 2.8841 2.8841 3.4267 3.4267 4.0095 4.0095 4.2276 4.2276 6.3033 6.3033 7.6098 7.6098 10.7400 10.7400 11.7403 11.7403 k = 0.0976 0.6473 0.3635 ( 8340 PWs) bands (ev): -40.8670 -40.8670 -14.0329 -14.0329 -13.3882 -13.3882 -12.7039 -12.7039 -12.6659 -12.6659 -4.2341 -4.2341 -2.3932 -2.3932 -0.7094 -0.7094 -0.1497 -0.1497 0.5298 0.5298 1.0997 1.0997 2.5035 2.5035 2.8618 2.8618 2.8737 2.8737 3.4259 3.4259 4.0104 4.0104 4.2088 4.2088 6.2948 6.2948 7.6224 7.6224 10.7593 10.7593 11.7415 11.7415 k = 0.1085 0.6533 0.3554 ( 8320 PWs) bands (ev): -40.8670 -40.8670 -14.0304 -14.0304 -13.3912 -13.3912 -12.7002 -12.7002 -12.6700 -12.6700 -4.2195 -4.2195 -2.4070 -2.4070 -0.7026 -0.7026 -0.1254 -0.1254 0.4969 0.4969 1.0639 1.0639 2.5137 2.5137 2.8615 2.8616 2.9140 2.9141 3.4251 3.4251 4.0114 4.0114 4.1879 4.1879 6.2857 6.2857 7.6358 7.6358 10.7806 10.7806 11.7418 11.7418 k = 0.1193 0.6592 0.3473 ( 8318 PWs) bands (ev): -40.8670 -40.8670 -14.0276 -14.0276 -13.3944 -13.3944 -12.6962 -12.6962 -12.6745 -12.6745 -4.2037 -4.2037 -2.4220 -2.4220 -0.6953 -0.6953 -0.0985 -0.0985 0.4597 0.4597 1.0298 1.0298 2.5248 2.5248 2.8488 2.8488 2.9670 2.9670 3.4242 3.4242 4.0126 4.0126 4.1648 4.1648 6.2760 6.2760 7.6500 7.6500 10.8037 10.8037 11.7409 11.7409 k = 0.1301 0.6651 0.3392 ( 8310 PWs) bands (ev): -40.8670 -40.8670 -14.0246 -14.0246 -13.3980 -13.3980 -12.6921 -12.6921 -12.6792 -12.6792 -4.1868 -4.1868 -2.4377 -2.4377 -0.6877 -0.6877 -0.0690 -0.0690 0.4184 0.4184 0.9979 0.9979 2.5365 2.5365 2.8351 2.8351 3.0206 3.0206 3.4232 3.4232 4.0138 4.0138 4.1397 4.1397 6.2659 6.2659 7.6647 7.6647 10.8287 10.8287 11.7385 11.7385 k = 0.1410 0.6711 0.3311 ( 8314 PWs) bands (ev): -40.8670 -40.8670 -14.0214 -14.0214 -13.4017 -13.4017 -12.6889 -12.6889 -12.6829 -12.6829 -4.1688 -4.1688 -2.4543 -2.4543 -0.6798 -0.6798 -0.0368 -0.0368 0.3732 0.3732 0.9682 0.9682 2.5489 2.5489 2.8206 2.8206 3.0745 3.0745 3.4221 3.4221 4.0151 4.0151 4.1124 4.1124 6.2555 6.2555 7.6798 7.6798 10.8552 10.8552 11.7344 11.7344 k = 0.1518 0.6770 0.3230 ( 8318 PWs) bands (ev): -40.8670 -40.8670 -14.0180 -14.0180 -13.4056 -13.4056 -12.6916 -12.6916 -12.6808 -12.6808 -4.1500 -4.1500 -2.4714 -2.4714 -0.6717 -0.6717 -0.0022 -0.0022 0.3248 0.3248 0.9409 0.9409 2.5618 2.5618 2.8054 2.8054 3.1283 3.1283 3.4209 3.4209 4.0165 4.0165 4.0831 4.0831 6.2447 6.2447 7.6953 7.6953 10.8833 10.8833 11.7283 11.7283 k = 0.1627 0.6830 0.3150 ( 8320 PWs) bands (ev): -40.8670 -40.8670 -14.0145 -14.0145 -13.4098 -13.4098 -12.6970 -12.6970 -12.6760 -12.6760 -4.1303 -4.1303 -2.4890 -2.4890 -0.6633 -0.6633 0.0350 0.0350 0.2735 0.2735 0.9157 0.9157 2.5750 2.5750 2.7898 2.7898 3.1818 3.1818 3.4196 3.4196 4.0180 4.0180 4.0518 4.0518 6.2337 6.2337 7.7110 7.7110 10.9129 10.9129 11.7200 11.7200 k = 0.1735 0.6889 0.3069 ( 8322 PWs) bands (ev): -40.8670 -40.8670 -14.0107 -14.0107 -13.4141 -13.4141 -12.7029 -12.7029 -12.6706 -12.6706 -4.1100 -4.1100 -2.5069 -2.5069 -0.6549 -0.6549 0.0743 0.0743 0.2203 0.2203 0.8924 0.8924 2.5881 2.5881 2.7740 2.7740 3.2347 3.2347 3.4183 3.4183 4.0169 4.0169 4.0211 4.0211 6.2225 6.2225 7.7267 7.7267 10.9437 10.9437 11.7095 11.7095 k = 0.1844 0.6949 0.2988 ( 8318 PWs) bands (ev): -40.8670 -40.8670 -14.0068 -14.0068 -13.4185 -13.4185 -12.7092 -12.7092 -12.6650 -12.6650 -4.0891 -4.0891 -2.5250 -2.5250 -0.6463 -0.6463 0.1140 0.1140 0.1675 0.1675 0.8709 0.8709 2.6007 2.6007 2.7585 2.7585 3.2869 3.2869 3.4169 3.4169 3.9828 3.9828 4.0215 4.0215 6.2111 6.2111 7.7424 7.7424 10.9756 10.9756 11.6966 11.6966 k = 0.1952 0.7008 0.2907 ( 8322 PWs) bands (ev): -40.8670 -40.8670 -14.0028 -14.0028 -13.4231 -13.4231 -12.7157 -12.7157 -12.6591 -12.6591 -4.0678 -4.0678 -2.5430 -2.5430 -0.6376 -0.6376 0.1033 0.1033 0.1663 0.1663 0.8508 0.8508 2.6118 2.6118 2.7444 2.7444 3.3380 3.3380 3.4155 3.4155 3.9456 3.9456 4.0232 4.0232 6.1996 6.1996 7.7580 7.7580 11.0086 11.0086 11.6815 11.6815 k = 0.2061 0.7067 0.2826 ( 8324 PWs) bands (ev): -40.8670 -40.8670 -13.9986 -13.9986 -13.4278 -13.4278 -12.7223 -12.7223 -12.6531 -12.6531 -4.0463 -4.0463 -2.5609 -2.5609 -0.6289 -0.6289 0.0480 0.0480 0.2112 0.2112 0.8321 0.8321 2.6200 2.6200 2.7331 2.7331 3.3880 3.3880 3.4140 3.4140 3.9064 3.9064 4.0251 4.0251 6.1880 6.1880 7.7734 7.7734 11.0423 11.0423 11.6642 11.6642 k = 0.2169 0.7127 0.2745 ( 8324 PWs) bands (ev): -40.8670 -40.8670 -13.9943 -13.9943 -13.4326 -13.4326 -12.7291 -12.7291 -12.6469 -12.6469 -4.0247 -4.0247 -2.5785 -2.5785 -0.6202 -0.6202 -0.0093 -0.0093 0.2600 0.2600 0.8144 0.8144 2.6228 2.6228 2.7269 2.7269 3.4122 3.4122 3.4372 3.4372 3.8653 3.8653 4.0270 4.0270 6.1764 6.1764 7.7885 7.7885 11.0768 11.0768 11.6448 11.6448 k = 0.2278 0.7186 0.2664 ( 8320 PWs) bands (ev): -40.8670 -40.8670 -13.9899 -13.9899 -13.4374 -13.4374 -12.7360 -12.7360 -12.6407 -12.6407 -4.0032 -4.0032 -2.5955 -2.5955 -0.6116 -0.6116 -0.0668 -0.0668 0.3112 0.3112 0.7976 0.7976 2.6184 2.6184 2.7278 2.7278 3.4106 3.4106 3.4846 3.4846 3.8225 3.8225 4.0290 4.0290 6.1647 6.1647 7.8033 7.8033 11.1118 11.1118 11.6235 11.6235 k = 0.2386 0.7246 0.2583 ( 8320 PWs) bands (ev): -40.8670 -40.8670 -13.9855 -13.9855 -13.4422 -13.4422 -12.7430 -12.7430 -12.6343 -12.6343 -3.9819 -3.9819 -2.6120 -2.6120 -0.6030 -0.6030 -0.1240 -0.1240 0.3646 0.3646 0.7817 0.7817 2.6075 2.6075 2.7352 2.7352 3.4089 3.4089 3.5307 3.5307 3.7778 3.7778 4.0310 4.0310 6.1531 6.1531 7.8177 7.8177 11.1471 11.1471 11.6004 11.6004 k = 0.2494 0.7305 0.2503 ( 8308 PWs) bands (ev): -40.8670 -40.8670 -13.9810 -13.9810 -13.4471 -13.4471 -12.7500 -12.7500 -12.6279 -12.6279 -3.9610 -3.9610 -2.6276 -2.6276 -0.5945 -0.5945 -0.1805 -0.1805 0.4200 0.4200 0.7665 0.7665 2.5921 2.5921 2.7469 2.7469 3.4072 3.4072 3.5754 3.5754 3.7314 3.7314 4.0331 4.0331 6.1414 6.1414 7.8317 7.8317 11.1826 11.1826 11.5759 11.5759 k = 0.7506-0.1826 0.2486 ( 8308 PWs) bands (ev): -40.8670 -40.8670 -13.9810 -13.9810 -13.4471 -13.4471 -12.7500 -12.7500 -12.6279 -12.6279 -3.9610 -3.9610 -2.6276 -2.6276 -0.5945 -0.5945 -0.1805 -0.1805 0.4200 0.4200 0.7665 0.7665 2.5921 2.5921 2.7469 2.7469 3.4072 3.4072 3.5754 3.5754 3.7314 3.7314 4.0331 4.0331 6.1414 6.1414 7.8317 7.8317 11.1826 11.1826 11.5759 11.5759 k = 0.7397-0.1886 0.2567 ( 8320 PWs) bands (ev): -40.8670 -40.8670 -13.9765 -13.9765 -13.4520 -13.4520 -12.7571 -12.7571 -12.6214 -12.6214 -3.9406 -3.9406 -2.6424 -2.6424 -0.5860 -0.5860 -0.2363 -0.2363 0.4776 0.4776 0.7520 0.7520 2.5739 2.5739 2.7613 2.7613 3.4055 3.4055 3.6187 3.6187 3.6831 3.6831 4.0353 4.0353 6.1297 6.1297 7.8453 7.8453 11.2184 11.2184 11.5501 11.5501 k = 0.7288-0.1946 0.2649 ( 8318 PWs) bands (ev): -40.8670 -40.8670 -13.9719 -13.9719 -13.4569 -13.4569 -12.7641 -12.7641 -12.6150 -12.6150 -3.9209 -3.9209 -2.6561 -2.6561 -0.5778 -0.5778 -0.2909 -0.2909 0.5369 0.5369 0.7381 0.7381 2.5542 2.5542 2.7772 2.7772 3.4037 3.4037 3.6331 3.6331 3.6603 3.6603 4.0375 4.0375 6.1181 6.1181 7.8583 7.8583 11.2540 11.2540 11.5233 11.5233 k = 0.7179-0.2006 0.2730 ( 8318 PWs) bands (ev): -40.8670 -40.8670 -13.9674 -13.9674 -13.4617 -13.4617 -12.7711 -12.7711 -12.6085 -12.6085 -3.9020 -3.9020 -2.6686 -2.6686 -0.5697 -0.5697 -0.3441 -0.3441 0.5978 0.5978 0.7248 0.7248 2.5336 2.5336 2.7940 2.7940 3.4019 3.4019 3.5816 3.5816 3.7003 3.7003 4.0396 4.0396 6.1065 6.1065 7.8709 7.8709 11.2893 11.2893 11.4958 11.4958 k = 0.7070-0.2065 0.2811 ( 8322 PWs) bands (ev): -40.8670 -40.8670 -13.9629 -13.9629 -13.4664 -13.4664 -12.7780 -12.7780 -12.6022 -12.6022 -3.8841 -3.8841 -2.6799 -2.6799 -0.5620 -0.5620 -0.3955 -0.3955 0.6600 0.6600 0.7123 0.7123 2.5126 2.5126 2.8111 2.8111 3.4000 3.4000 3.5287 3.5287 3.7385 3.7385 4.0418 4.0418 6.0950 6.0950 7.8828 7.8828 11.3241 11.3241 11.4679 11.4679 k = 0.6961-0.2125 0.2892 ( 8316 PWs) bands (ev): -40.8670 -40.8670 -13.9585 -13.9585 -13.4710 -13.4710 -12.7847 -12.7847 -12.5960 -12.5960 -3.8674 -3.8674 -2.6898 -2.6898 -0.5547 -0.5547 -0.4449 -0.4449 0.6990 0.6990 0.7249 0.7249 2.4915 2.4915 2.8284 2.8284 3.3980 3.3980 3.4745 3.4745 3.7749 3.7749 4.0440 4.0440 6.0837 6.0837 7.8943 7.8943 11.3583 11.3583 11.4398 11.4398 k = 0.6852-0.2185 0.2974 ( 8314 PWs) bands (ev): -40.8670 -40.8670 -13.9541 -13.9541 -13.4755 -13.4755 -12.7913 -12.7913 -12.5899 -12.5899 -3.8518 -3.8518 -2.6983 -2.6983 -0.5487 -0.5487 -0.4914 -0.4914 0.6879 0.6879 0.7894 0.7894 2.4705 2.4705 2.8457 2.8457 3.3947 3.3947 3.4202 3.4202 3.8096 3.8096 4.0462 4.0462 6.0725 6.0725 7.9051 7.9051 11.3917 11.3917 11.4118 11.4118 k = 0.6743-0.2244 0.3055 ( 8314 PWs) bands (ev): -40.8670 -40.8670 -13.9498 -13.9498 -13.4799 -13.4799 -12.7978 -12.7978 -12.5839 -12.5839 -3.8374 -3.8374 -2.7055 -2.7055 -0.5524 -0.5524 -0.5264 -0.5264 0.6770 0.6770 0.8554 0.8554 2.4497 2.4497 2.8629 2.8629 3.3596 3.3596 3.3967 3.3967 3.8423 3.8423 4.0483 4.0483 6.0615 6.0615 7.9153 7.9153 11.3841 11.3841 11.4241 11.4241 k = 0.6634-0.2304 0.3136 ( 8314 PWs) bands (ev): -40.8670 -40.8670 -13.9457 -13.9457 -13.4841 -13.4841 -12.8040 -12.8040 -12.5781 -12.5781 -3.8244 -3.8244 -2.7112 -2.7112 -0.5873 -0.5873 -0.5283 -0.5283 0.6665 0.6665 0.9223 0.9223 2.4293 2.4293 2.8797 2.8797 3.3023 3.3023 3.3942 3.3942 3.8732 3.8732 4.0504 4.0504 6.0508 6.0508 7.9249 7.9249 11.3570 11.3570 11.4555 11.4555 k = 0.6525-0.2364 0.3217 ( 8322 PWs) bands (ev): -40.8670 -40.8670 -13.9417 -13.9417 -13.4881 -13.4881 -12.8100 -12.8100 -12.5726 -12.5726 -3.8128 -3.8128 -2.7157 -2.7157 -0.6274 -0.6274 -0.5230 -0.5230 0.6567 0.6567 0.9899 0.9899 2.4095 2.4095 2.8960 2.8960 3.2434 3.2434 3.3923 3.3923 3.9022 3.9022 4.0525 4.0525 6.0403 6.0403 7.9339 7.9339 11.3307 11.3307 11.4855 11.4856 k = 0.6416-0.2423 0.3298 ( 8314 PWs) bands (ev): -40.8670 -40.8670 -13.9378 -13.9378 -13.4920 -13.4920 -12.8157 -12.8157 -12.5673 -12.5673 -3.8024 -3.8024 -2.7188 -2.7188 -0.6659 -0.6659 -0.5172 -0.5172 0.6474 0.6474 1.0580 1.0580 2.3904 2.3904 2.9118 2.9118 3.1836 3.1836 3.3907 3.3907 3.9293 3.9293 4.0545 4.0545 6.0302 6.0302 7.9423 7.9423 11.3053 11.3053 11.4766 11.5143 k = 0.6307-0.2483 0.3380 ( 8314 PWs) bands (ev): -40.8670 -40.8670 -13.9342 -13.9342 -13.4956 -13.4956 -12.8211 -12.8211 -12.5623 -12.5623 -3.7933 -3.7933 -2.7209 -2.7209 -0.7022 -0.7022 -0.5114 -0.5114 0.6387 0.6387 1.1263 1.1263 2.3722 2.3722 2.9269 2.9269 3.1232 3.1232 3.3892 3.3892 3.9544 3.9544 4.0564 4.0564 6.0205 6.0205 7.9501 7.9501 11.2811 11.2811 11.4469 11.4469 k = 0.6198-0.2543 0.3461 ( 8314 PWs) bands (ev): -40.8670 -40.8670 -13.9307 -13.9307 -13.4990 -13.4990 -12.8262 -12.8262 -12.5576 -12.5576 -3.7855 -3.7855 -2.7219 -2.7219 -0.7360 -0.7360 -0.5060 -0.5060 0.6307 0.6307 1.1945 1.1945 2.3549 2.3549 2.9412 2.9412 3.0624 3.0624 3.3878 3.3878 3.9775 3.9775 4.0583 4.0583 6.0113 6.0113 7.9572 7.9572 11.2583 11.2583 11.4192 11.4192 k = 0.6089-0.2602 0.3542 ( 8312 PWs) bands (ev): -40.8670 -40.8670 -13.9275 -13.9275 -13.5022 -13.5022 -12.8309 -12.8309 -12.5532 -12.5532 -3.7788 -3.7788 -2.7220 -2.7220 -0.7671 -0.7671 -0.5009 -0.5009 0.6233 0.6233 1.2623 1.2623 2.3387 2.3387 2.9547 2.9547 3.0016 3.0016 3.3864 3.3864 3.9985 3.9985 4.0602 4.0602 6.0026 6.0026 7.9637 7.9637 11.2369 11.2369 11.3936 11.3936 k = 0.5980-0.2662 0.3623 ( 8334 PWs) bands (ev): -40.8670 -40.8670 -13.9245 -13.9245 -13.5051 -13.5051 -12.8353 -12.8353 -12.5492 -12.5492 -3.7732 -3.7732 -2.7215 -2.7215 -0.7956 -0.7956 -0.4962 -0.4962 0.6166 0.6166 1.3292 1.3292 2.3236 2.3236 2.9408 2.9408 2.9674 2.9674 3.3852 3.3852 4.0174 4.0174 4.0621 4.0621 5.9944 5.9944 7.9696 7.9696 11.2172 11.2172 11.3700 11.3700 k = 0.5871-0.2722 0.3705 ( 8350 PWs) bands (ev): -40.8670 -40.8670 -13.9218 -13.9218 -13.5077 -13.5077 -12.8392 -12.8392 -12.5455 -12.5455 -3.7685 -3.7685 -2.7204 -2.7204 -0.8212 -0.8212 -0.4920 -0.4920 0.6105 0.6105 1.3948 1.3948 2.3099 2.3099 2.8811 2.8811 2.9788 2.9788 3.3841 3.3841 4.0339 4.0339 4.0642 4.0642 5.9869 5.9869 7.9748 7.9748 11.1993 11.1993 11.3487 11.3487 k = 0.5763-0.2781 0.3786 ( 8346 PWs) bands (ev): -40.8670 -40.8670 -13.9193 -13.9193 -13.5100 -13.5100 -12.8428 -12.8428 -12.5422 -12.5422 -3.7648 -3.7648 -2.7189 -2.7189 -0.8439 -0.8439 -0.4881 -0.4881 0.6051 0.6051 1.4583 1.4583 2.2975 2.2975 2.8229 2.8229 2.9891 2.9891 3.3831 3.3831 4.0474 4.0474 4.0672 4.0672 5.9801 5.9801 7.9794 7.9794 11.1832 11.1832 11.3297 11.3298 k = 0.5654-0.2841 0.3867 ( 8334 PWs) bands (ev): -40.8670 -40.8670 -13.9172 -13.9172 -13.5121 -13.5121 -12.8459 -12.8459 -12.5393 -12.5393 -3.7617 -3.7617 -2.7173 -2.7173 -0.8637 -0.8637 -0.4848 -0.4848 0.6004 0.6004 1.5189 1.5189 2.2866 2.2866 2.7669 2.7669 2.9982 2.9982 3.3823 3.3823 4.0566 4.0566 4.0724 4.0724 5.9741 5.9741 7.9834 7.9834 11.1691 11.1691 11.3131 11.3131 k = 0.5545-0.2901 0.3948 ( 8330 PWs) bands (ev): -40.8670 -40.8670 -13.9154 -13.9154 -13.5138 -13.5138 -12.8485 -12.8485 -12.5368 -12.5368 -3.7593 -3.7593 -2.7156 -2.7156 -0.8806 -0.8806 -0.4819 -0.4819 0.5964 0.5964 1.5754 1.5754 2.2772 2.2772 2.7143 2.7143 3.0060 3.0060 3.3815 3.3815 4.0611 4.0611 4.0801 4.0801 5.9689 5.9689 7.9868 7.9868 11.1570 11.1570 11.2990 11.2990 k = 0.5436-0.2960 0.4030 ( 8330 PWs) bands (ev): -40.8670 -40.8670 -13.9138 -13.9138 -13.5153 -13.5153 -12.8507 -12.8507 -12.5348 -12.5348 -3.7575 -3.7575 -2.7140 -2.7140 -0.8944 -0.8944 -0.4796 -0.4796 0.5931 0.5931 1.6263 1.6263 2.2694 2.2694 2.6667 2.6667 3.0125 3.0125 3.3809 3.3809 4.0632 4.0632 4.0879 4.0879 5.9646 5.9646 7.9895 7.9895 11.1470 11.1470 11.2873 11.2873 k = 0.5327-0.3020 0.4111 ( 8326 PWs) bands (ev): -40.8670 -40.8670 -13.9126 -13.9126 -13.5164 -13.5164 -12.8524 -12.8524 -12.5332 -12.5332 -3.7562 -3.7562 -2.7126 -2.7126 -0.9052 -0.9052 -0.4778 -0.4778 0.5905 0.5905 1.6697 1.6697 2.2633 2.2633 2.6258 2.6258 3.0176 3.0176 3.3804 3.3804 4.0644 4.0644 4.0945 4.0945 5.9612 5.9612 7.9917 7.9917 11.1392 11.1392 11.2782 11.2782 k = 0.5218-0.3080 0.4192 ( 8330 PWs) bands (ev): -40.8670 -40.8670 -13.9118 -13.9118 -13.5172 -13.5172 -12.8537 -12.8537 -12.5320 -12.5320 -3.7553 -3.7553 -2.7116 -2.7116 -0.9129 -0.9129 -0.4764 -0.4764 0.5887 0.5887 1.7033 1.7033 2.2589 2.2589 2.5940 2.5940 3.0213 3.0213 3.3801 3.3801 4.0652 4.0652 4.0993 4.0993 5.9587 5.9587 7.9932 7.9932 11.1336 11.1336 11.2717 11.2717 k = 0.5109-0.3139 0.4273 ( 8322 PWs) bands (ev): -40.8670 -40.8670 -13.9113 -13.9113 -13.5177 -13.5177 -12.8544 -12.8544 -12.5313 -12.5313 -3.7548 -3.7548 -2.7109 -2.7109 -0.9175 -0.9175 -0.4756 -0.4756 0.5876 0.5876 1.7247 1.7247 2.2562 2.2562 2.5737 2.5737 3.0235 3.0235 3.3798 3.3798 4.0656 4.0656 4.1022 4.1022 5.9572 5.9572 7.9941 7.9941 11.1302 11.1302 11.2678 11.2678 k = 0.5000-0.3199 0.4355 ( 8328 PWs) bands (ev): -40.8670 -40.8670 -13.9111 -13.9111 -13.5179 -13.5179 -12.8547 -12.8547 -12.5311 -12.5311 -3.7546 -3.7546 -2.7107 -2.7107 -0.9191 -0.9191 -0.4754 -0.4754 0.5872 0.5872 1.7321 1.7321 2.2554 2.2554 2.5667 2.5667 3.0243 3.0243 3.3798 3.3798 4.0657 4.0657 4.1032 4.1032 5.9567 5.9567 7.9944 7.9944 11.1291 11.1291 11.2665 11.2665 k = 0.5000 0.2739 0.2494 ( 8306 PWs) bands (ev): -40.8670 -40.8670 -14.1845 -14.1845 -13.6003 -13.6003 -12.4911 -12.4911 -12.4552 -12.4552 -3.4702 -3.4702 -2.5959 -2.5959 -1.0836 -1.0836 -0.6189 -0.6189 1.0450 1.0450 1.1781 1.1781 1.7630 1.7630 2.0346 2.0346 3.2085 3.2085 3.4053 3.4053 3.8371 3.8371 4.0009 4.0009 8.2807 8.2807 8.9200 8.9200 9.1088 9.1088 10.7289 10.7289 k = 0.4881 0.2674 0.2435 ( 8311 PWs) bands (ev): -40.8670 -40.8670 -14.1860 -14.1858 -13.5994 -13.5989 -12.4928 -12.4906 -12.4552 -12.4528 -3.4744 -3.4737 -2.5917 -2.5907 -1.0835 -1.0829 -0.6192 -0.6183 1.0408 1.0436 1.1781 1.1813 1.7608 1.7626 2.0345 2.0374 3.2035 3.2047 3.4079 3.4093 3.8365 3.8375 4.0008 4.0013 8.2765 8.2776 8.8842 8.8926 9.1395 9.1446 10.7269 10.7301 k = 0.4762 0.2609 0.2376 ( 8308 PWs) bands (ev): -40.8670 -40.8670 -14.1905 -14.1900 -13.5960 -13.5950 -12.4952 -12.4912 -12.4528 -12.4486 -3.4862 -3.4847 -2.5783 -2.5763 -1.0828 -1.0814 -0.6190 -0.6173 1.0316 1.0368 1.1810 1.1869 1.7560 1.7595 2.0372 2.0429 3.1909 3.1929 3.4165 3.4191 3.8357 3.8376 4.0011 4.0022 8.2646 8.2670 8.8182 8.8304 9.2081 9.2139 10.7244 10.7308 k = 0.4643 0.2544 0.2316 ( 8308 PWs) bands (ev): -40.8670 -40.8670 -14.1976 -14.1969 -13.5903 -13.5889 -12.4977 -12.4927 -12.4484 -12.4429 -3.5048 -3.5027 -2.5564 -2.5535 -1.0813 -1.0792 -0.6184 -0.6160 1.0190 1.0257 1.1856 1.1934 1.7486 1.7536 2.0431 2.0512 3.1722 3.1748 3.4294 3.4329 3.8348 3.8376 4.0016 4.0031 8.2446 8.2482 8.7465 8.7611 9.2877 9.2928 10.7216 10.7310 k = 0.4524 0.2478 0.2257 ( 8310 PWs) bands (ev): -40.8670 -40.8670 -14.2072 -14.2063 -13.5826 -13.5807 -12.5001 -12.4945 -12.4425 -12.4363 -3.5291 -3.5264 -2.5270 -2.5233 -1.0790 -1.0763 -0.6175 -0.6142 1.0041 1.0118 1.1905 1.1995 1.7387 1.7448 2.0525 2.0627 3.1492 3.1523 3.4448 3.4490 3.8340 3.8375 4.0022 4.0040 8.2156 8.2204 8.6762 8.6928 9.3708 9.3750 10.7188 10.7311 k = 0.4405 0.2413 0.2197 ( 8312 PWs) bands (ev): -40.8671 -40.8671 -14.2191 -14.2180 -13.5731 -13.5708 -12.5022 -12.4962 -12.4354 -12.4288 -3.5580 -3.5549 -2.4914 -2.4870 -1.0760 -1.0727 -0.6162 -0.6121 0.9879 0.9960 1.1942 1.2041 1.7263 1.7333 2.0656 2.0774 3.1232 3.1265 3.4616 3.4663 3.8334 3.8374 4.0024 4.0044 8.1770 8.1828 8.6105 8.6287 9.4547 9.4582 10.7167 10.7317 k = 0.4286 0.2348 0.2138 ( 8317 PWs) bands (ev): -40.8671 -40.8671 -14.2329 -14.2316 -13.5620 -13.5593 -12.5038 -12.4977 -12.4276 -12.4206 -3.5905 -3.5871 -2.4504 -2.4455 -1.0723 -1.0683 -0.6146 -0.6098 0.9709 0.9793 1.1961 1.2065 1.7115 1.7190 2.0828 2.0957 3.0949 3.0984 3.4788 3.4840 3.8332 3.8376 4.0020 4.0041 8.1282 8.1347 8.5509 8.5702 9.5384 9.5415 10.7157 10.7332 k = 0.4167 0.2283 0.2079 ( 8319 PWs) bands (ev): -40.8671 -40.8671 -14.2484 -14.2470 -13.5496 -13.5466 -12.5048 -12.4986 -12.4190 -12.4119 -3.6255 -3.6219 -2.4053 -2.3998 -1.0678 -1.0632 -0.6126 -0.6071 0.9537 0.9622 1.1954 1.2061 1.6943 1.7020 2.1042 2.1179 3.0649 3.0685 3.4960 3.5016 3.8334 3.8380 4.0007 4.0028 8.0697 8.0767 8.4974 8.5174 9.6209 9.6244 10.7165 10.7363 k = 0.4048 0.2218 0.2019 ( 8321 PWs) bands (ev): -40.8671 -40.8671 -14.2652 -14.2638 -13.5362 -13.5330 -12.5053 -12.4991 -12.4099 -12.4027 -3.6624 -3.6586 -2.3567 -2.3508 -1.0625 -1.0574 -0.6104 -0.6041 0.9364 0.9449 1.1918 1.2027 1.6749 1.6827 2.1299 2.1440 3.0336 3.0373 3.5130 3.5188 3.8340 3.8386 3.9983 4.0003 8.0027 8.0098 8.4494 8.4695 9.7021 9.7064 10.7197 10.7415 k = 0.3929 0.2152 0.1960 ( 8325 PWs) bands (ev): -40.8671 -40.8671 -14.2832 -14.2818 -13.5221 -13.5186 -12.5051 -12.4991 -12.4003 -12.3930 -3.7004 -3.6965 -2.3055 -2.2993 -1.0565 -1.0509 -0.6079 -0.6010 0.9194 0.9277 1.1852 1.1961 1.6536 1.6612 2.1598 2.1741 3.0013 3.0050 3.5295 3.5356 3.8349 3.8393 3.9946 3.9964 7.9288 7.9359 8.4052 8.4252 9.7815 9.7869 10.7259 10.7494 k = 0.3810 0.2087 0.1900 ( 8327 PWs) bands (ev): -40.8671 -40.8671 -14.3021 -14.3006 -13.5075 -13.5038 -12.5044 -12.4984 -12.3902 -12.3829 -3.7390 -3.7351 -2.2522 -2.2456 -1.0498 -1.0436 -0.6052 -0.5976 0.9027 0.9107 1.1756 1.1864 1.6305 1.6379 2.1939 2.2081 2.9681 2.9719 3.5455 3.5518 3.8358 3.8398 3.9897 3.9911 7.8496 7.8567 8.3634 8.3831 9.8590 9.8656 10.7356 10.7605 k = 0.3690 0.2022 0.1841 ( 8333 PWs) bands (ev): -40.8671 -40.8671 -14.3217 -14.3202 -13.4926 -13.4887 -12.5031 -12.4972 -12.3798 -12.3726 -3.7779 -3.7739 -2.1974 -2.1905 -1.0423 -1.0357 -0.6022 -0.5940 0.8864 0.8940 1.1633 1.1739 1.6058 1.6130 2.2320 2.2459 2.9343 2.9381 3.5609 3.5675 3.8363 3.8397 3.9837 3.9847 7.7665 7.7737 8.3227 8.3421 9.9344 9.9422 10.7492 10.7752 k = 0.3571 0.1957 0.1782 ( 8340 PWs) bands (ev): -40.8671 -40.8671 -14.3418 -14.3403 -13.4775 -13.4734 -12.5011 -12.4955 -12.3691 -12.3619 -3.8165 -3.8126 -2.1413 -2.1342 -1.0341 -1.0270 -0.5991 -0.5904 0.8704 0.8775 1.1484 1.1587 1.5799 1.5869 2.2737 2.2873 2.9000 2.9039 3.5758 3.5825 3.8357 3.8384 3.9769 3.9777 7.6806 7.6881 8.2822 8.3011 10.0076 10.0165 10.7669 10.7937 k = 0.3452 0.1891 0.1722 ( 8336 PWs) bands (ev): -40.8671 -40.8671 -14.3622 -14.3607 -13.4624 -13.4582 -12.4987 -12.4932 -12.3582 -12.3510 -3.8548 -3.8508 -2.0845 -2.0771 -1.0252 -1.0177 -0.5958 -0.5866 0.8547 0.8612 1.1315 1.1413 1.5529 1.5598 2.3187 2.3319 2.8655 2.8693 3.5901 3.5969 3.8331 3.8349 3.9698 3.9711 7.5929 7.6006 8.2413 8.2598 10.0784 10.0883 10.7890 10.8163 k = 0.3333 0.1826 0.1663 ( 8334 PWs) bands (ev): -40.8671 -40.8671 -14.3828 -14.3813 -13.4475 -13.4432 -12.4956 -12.4903 -12.3470 -12.3399 -3.8923 -3.8885 -2.0271 -2.0195 -1.0156 -1.0077 -0.5924 -0.5827 0.8392 0.8449 1.1129 1.1222 1.5252 1.5319 2.3668 2.3795 2.8309 2.8348 3.6040 3.6108 3.8272 3.8285 3.9634 3.9656 7.5040 7.5119 8.1995 8.2176 10.1468 10.1575 10.8155 10.8429 k = 0.3214 0.1761 0.1604 ( 8337 PWs) bands (ev): -40.8671 -40.8671 -14.4034 -14.4019 -13.4327 -13.4284 -12.4921 -12.4870 -12.3356 -12.3286 -3.9291 -3.9253 -1.9695 -1.9617 -1.0053 -0.9971 -0.5889 -0.5788 0.8236 0.8284 1.0934 1.1020 1.4968 1.5036 2.4174 2.4296 2.7965 2.8004 3.6173 3.6242 3.8166 3.8184 3.9587 3.9619 7.4144 7.4225 8.1567 8.1744 10.2128 10.2242 10.8461 10.8733 k = 0.3095 0.1696 0.1544 ( 8334 PWs) bands (ev): -40.8671 -40.8671 -14.4240 -14.4225 -13.4183 -13.4139 -12.4881 -12.4832 -12.3241 -12.3173 -3.9649 -3.9611 -1.9120 -1.9040 -0.9944 -0.9858 -0.5853 -0.5749 0.8077 0.8115 1.0734 1.0812 1.4680 1.4748 2.4700 2.4816 2.7629 2.7667 3.6302 3.6370 3.8012 3.8038 3.9566 3.9604 7.3244 7.3328 8.1129 8.1302 10.2766 10.2885 10.8806 10.9071 k = 0.2976 0.1631 0.1485 ( 8325 PWs) bands (ev): -40.8671 -40.8671 -14.4444 -14.4430 -13.4043 -13.3998 -12.4837 -12.4790 -12.3126 -12.3059 -3.9995 -3.9959 -1.8547 -1.8466 -0.9828 -0.9740 -0.5817 -0.5710 0.7912 0.7939 1.0535 1.0605 1.4390 1.4460 2.5235 2.5342 2.7311 2.7346 3.6426 3.6494 3.7810 3.7842 3.9569 3.9613 7.2344 7.2430 8.0681 8.0849 10.3384 10.3505 10.9183 10.9439 k = 0.2857 0.1565 0.1425 ( 8322 PWs) bands (ev): -40.8672 -40.8672 -14.4645 -14.4631 -13.3907 -13.3863 -12.4790 -12.4745 -12.3010 -12.2944 -4.0330 -4.0294 -1.7979 -1.7897 -0.9707 -0.9616 -0.5779 -0.5670 0.7738 0.7755 1.0345 1.0405 1.4099 1.4170 2.5746 2.5835 2.7049 2.7074 3.6545 3.6613 3.7566 3.7602 3.9596 3.9640 7.1447 7.1534 8.0224 8.0388 10.3983 10.4105 10.9587 10.9830 k = 0.2738 0.1500 0.1366 ( 8322 PWs) bands (ev): -40.8672 -40.8672 -14.4843 -14.4830 -13.3776 -13.3732 -12.4739 -12.4696 -12.2895 -12.2830 -4.0651 -4.0617 -1.7419 -1.7335 -0.9580 -0.9486 -0.5742 -0.5630 0.7547 0.7563 1.0167 1.0221 1.3809 1.3882 2.6089 2.6119 2.6982 2.7027 3.6658 3.6726 3.7285 3.7322 3.9639 3.9683 7.0553 7.0642 7.9760 7.9919 10.4567 10.4688 11.0009 11.0238 k = 0.2619 0.1435 0.1307 ( 8323 PWs) bands (ev): -40.8672 -40.8672 -14.5036 -14.5024 -13.3651 -13.3606 -12.4685 -12.4645 -12.2780 -12.2717 -4.0960 -4.0927 -1.6868 -1.6782 -0.9448 -0.9352 -0.5703 -0.5590 0.7337 0.7363 1.0006 1.0056 1.3520 1.3595 2.6008 2.6033 2.7322 2.7411 3.6758 3.6832 3.6981 3.7011 3.9695 3.9737 6.9666 6.9755 7.9291 7.9445 10.5137 10.5255 11.0443 11.0655 k = 0.2500 0.1370 0.1247 ( 8307 PWs) bands (ev): -40.8672 -40.8672 -14.5225 -14.5213 -13.3531 -13.3487 -12.4629 -12.4592 -12.2666 -12.2605 -4.1254 -4.1222 -1.6328 -1.6241 -0.9311 -0.9213 -0.5663 -0.5549 0.7111 0.7151 0.9864 0.9914 1.3234 1.3311 2.5744 2.5780 2.7875 2.7971 3.6610 3.6663 3.6891 3.6944 3.9759 3.9799 6.8786 6.8876 7.8819 7.8968 10.5695 10.5810 11.0879 11.1075 k = 0.2381 0.1304 0.1188 ( 8311 PWs) bands (ev): -40.8672 -40.8672 -14.5408 -14.5397 -13.3416 -13.3373 -12.4572 -12.4537 -12.2553 -12.2495 -4.1534 -4.1504 -1.5801 -1.5714 -0.9171 -0.9071 -0.5621 -0.5507 0.6872 0.6925 0.9743 0.9798 1.2952 1.3031 2.5449 2.5489 2.8484 2.8580 3.6253 3.6300 3.6985 3.7042 3.9830 3.9866 6.7916 6.8006 7.8346 7.8491 10.6241 10.6353 11.1312 11.1491 k = 0.2262 0.1239 0.1128 ( 8308 PWs) bands (ev): -40.8672 -40.8672 -14.5585 -14.5574 -13.3307 -13.3265 -12.4514 -12.4480 -12.2443 -12.2386 -4.1800 -4.1771 -1.5291 -1.5203 -0.9027 -0.8926 -0.5577 -0.5464 0.6623 0.6687 0.9645 0.9705 1.2675 1.2755 2.5150 2.5192 2.9117 2.9210 3.5871 3.5916 3.7079 3.7136 3.9905 3.9937 6.7057 6.7146 7.7876 7.8015 10.6777 10.6885 11.1734 11.1896 k = 0.2143 0.1174 0.1069 ( 8303 PWs) bands (ev): -40.8672 -40.8672 -14.5756 -14.5746 -13.3204 -13.3163 -12.4455 -12.4424 -12.2334 -12.2280 -4.2051 -4.2023 -1.4798 -1.4710 -0.8882 -0.8778 -0.5531 -0.5418 0.6366 0.6440 0.9567 0.9633 1.2403 1.2484 2.4857 2.4900 2.9760 2.9851 3.5474 3.5519 3.7168 3.7225 3.9983 4.0011 6.6210 6.6298 7.7410 7.7544 10.7302 10.7406 11.2140 11.2285 k = 0.2024 0.1109 0.1010 ( 8305 PWs) bands (ev): -40.8672 -40.8672 -14.5920 -14.5910 -13.3106 -13.3067 -12.4397 -12.4367 -12.2229 -12.2177 -4.2287 -4.2260 -1.4326 -1.4237 -0.8734 -0.8629 -0.5481 -0.5369 0.6105 0.6186 0.9509 0.9581 1.2138 1.2220 2.4574 2.4617 3.0408 3.0497 3.5067 3.5110 3.7253 3.7309 4.0063 4.0087 6.5377 6.5464 7.6952 7.7080 10.7816 10.7916 11.2523 11.2654 k = 0.1905 0.1044 0.0950 ( 8308 PWs) bands (ev): -40.8672 -40.8672 -14.6076 -14.6067 -13.3015 -13.2977 -12.4339 -12.4312 -12.2127 -12.2078 -4.2508 -4.2483 -1.3875 -1.3787 -0.8586 -0.8479 -0.5427 -0.5317 0.5843 0.5930 0.9469 0.9545 1.1881 1.1962 2.4302 2.4346 3.1056 3.1143 3.4653 3.4695 3.7332 3.7389 4.0145 4.0164 6.4560 6.4646 7.6504 7.6626 10.8317 10.8412 11.2881 11.2998 k = 0.1786 0.0978 0.0891 ( 8310 PWs) bands (ev): -40.8672 -40.8672 -14.6224 -14.6216 -13.2929 -13.2892 -12.4282 -12.4257 -12.2029 -12.1982 -4.2714 -4.2691 -1.3450 -1.3362 -0.8438 -0.8330 -0.5369 -0.5260 0.5583 0.5675 0.9442 0.9523 1.1633 1.1713 2.4044 2.4088 3.1699 3.1786 3.4237 3.4278 3.7406 3.7463 4.0228 4.0243 6.3760 6.3844 7.6068 7.6185 10.8802 10.8894 11.3211 11.3316 k = 0.1667 0.0913 0.0831 ( 8311 PWs) bands (ev): -40.8672 -40.8672 -14.6364 -14.6356 -13.2849 -13.2814 -12.4226 -12.4203 -12.1935 -12.1891 -4.2906 -4.2884 -1.3050 -1.2963 -0.8291 -0.8182 -0.5304 -0.5197 0.5330 0.5424 0.9428 0.9511 1.1396 1.1474 2.3802 2.3845 3.2333 3.2418 3.3824 3.3865 3.7474 3.7533 4.0311 4.0322 6.2981 6.3062 7.5648 7.5758 10.9272 10.9359 11.3510 11.3604 k = 0.1548 0.0848 0.0772 ( 8319 PWs) bands (ev): -40.8673 -40.8673 -14.6496 -14.6489 -13.2775 -13.2742 -12.4173 -12.4152 -12.1845 -12.1803 -4.3083 -4.3063 -1.2679 -1.2593 -0.8147 -0.8037 -0.5233 -0.5129 0.5084 0.5180 0.9421 0.9506 1.1171 1.1246 2.3576 2.3619 3.2933 3.3014 3.3439 3.3480 3.7537 3.7598 4.0395 4.0404 6.2223 6.2302 7.5244 7.5348 10.9722 10.9806 11.3778 11.3863 k = 0.1429 0.0783 0.0713 ( 8316 PWs) bands (ev): -40.8673 -40.8673 -14.6619 -14.6612 -13.2706 -13.2675 -12.4122 -12.4103 -12.1760 -12.1721 -4.3246 -4.3227 -1.2338 -1.2253 -0.8005 -0.7896 -0.5157 -0.5055 0.4848 0.4944 0.9421 0.9506 1.0960 1.1031 2.3367 2.3410 3.2968 3.3006 3.3609 3.3694 3.7594 3.7658 4.0480 4.0488 6.1490 6.1566 7.4861 7.4958 11.0152 11.0231 11.4016 11.4093 k = 0.1310 0.0717 0.0653 ( 8321 PWs) bands (ev): -40.8673 -40.8673 -14.6733 -14.6727 -13.2643 -13.2614 -12.4073 -12.4056 -12.1680 -12.1645 -4.3395 -4.3377 -1.2027 -1.1944 -0.7868 -0.7759 -0.5074 -0.4975 0.4625 0.4720 0.9422 0.9507 1.0765 1.0832 2.3177 2.3219 3.2594 3.2630 3.4179 3.4268 3.7645 3.7714 4.0565 4.0576 6.0785 6.0857 7.4500 7.4590 11.0558 11.0634 11.4224 11.4294 k = 0.1190 0.0652 0.0594 ( 8326 PWs) bands (ev): -40.8673 -40.8673 -14.6838 -14.6833 -13.2586 -13.2559 -12.4028 -12.4013 -12.1606 -12.1573 -4.3530 -4.3514 -1.1748 -1.1668 -0.7736 -0.7629 -0.4985 -0.4891 0.4415 0.4508 0.9422 0.9506 1.0590 1.0651 2.3005 2.3046 3.2223 3.2257 3.4736 3.4829 3.7691 3.7766 4.0653 4.0666 6.0111 6.0179 7.4163 7.4246 11.0939 11.1010 11.4405 11.4468 k = 0.1071 0.0587 0.0535 ( 8324 PWs) bands (ev): -40.8673 -40.8673 -14.6934 -14.6929 -13.2534 -13.2509 -12.3987 -12.3973 -12.1538 -12.1508 -4.3650 -4.3636 -1.1500 -1.1424 -0.7610 -0.7507 -0.4893 -0.4803 0.4221 0.4310 0.9417 0.9498 1.0439 1.0491 2.2853 2.2891 3.1870 3.1902 3.5261 3.5359 3.7732 3.7814 4.0743 4.0760 5.9473 5.9537 7.3851 7.3927 11.1292 11.1359 11.4559 11.4616 k = 0.0952 0.0522 0.0475 ( 8321 PWs) bands (ev): -40.8673 -40.8673 -14.7020 -14.7015 -13.2487 -13.2465 -12.3948 -12.3936 -12.1476 -12.1449 -4.3758 -4.3745 -1.1283 -1.1212 -0.7492 -0.7394 -0.4798 -0.4713 0.4043 0.4127 0.9403 0.9480 1.0314 1.0356 2.2719 2.2755 3.1541 3.1570 3.5747 3.5853 3.7768 3.7860 4.0836 4.0856 5.8875 5.8934 7.3568 7.3636 11.1615 11.1677 11.4690 11.4741 k = 0.0833 0.0457 0.0416 ( 8316 PWs) bands (ev): -40.8673 -40.8673 -14.7096 -14.7092 -13.2446 -13.2426 -12.3914 -12.3904 -12.1420 -12.1397 -4.3852 -4.3840 -1.1096 -1.1031 -0.7383 -0.7291 -0.4702 -0.4625 0.3883 0.3961 0.9378 0.9448 1.0218 1.0250 2.2604 2.2637 3.1239 3.1266 3.6187 3.6301 3.7800 3.7903 4.0932 4.0954 5.8324 5.8377 7.3315 7.3375 11.1907 11.1964 11.4799 11.4845 k = 0.0714 0.0391 0.0356 ( 8315 PWs) bands (ev): -40.8673 -40.8673 -14.7162 -14.7159 -13.2410 -13.2393 -12.3884 -12.3875 -12.1371 -12.1351 -4.3933 -4.3923 -1.0938 -1.0880 -0.7283 -0.7201 -0.4610 -0.4540 0.3743 0.3813 0.9342 0.9404 1.0151 1.0172 2.2507 2.2537 3.0969 3.0992 3.6573 3.6698 3.7829 3.7944 4.1031 4.1054 5.7824 5.7872 7.3092 7.3144 11.2165 11.2216 11.4889 11.4929 k = 0.0595 0.0326 0.0297 ( 8315 PWs) bands (ev): -40.8673 -40.8673 -14.7218 -14.7215 -13.2379 -13.2365 -12.3858 -12.3851 -12.1329 -12.1312 -4.4000 -4.3992 -1.0807 -1.0757 -0.7195 -0.7123 -0.4524 -0.4463 0.3623 0.3684 0.9299 0.9351 1.0108 1.0120 2.2427 2.2453 3.0733 3.0753 3.6900 3.7036 3.7856 3.7984 4.1129 4.1152 5.7384 5.7425 7.2903 7.2946 11.2388 11.2432 11.4961 11.4995 k = 0.0476 0.0261 0.0238 ( 8313 PWs) bands (ev): -40.8673 -40.8673 -14.7264 -14.7262 -13.2354 -13.2343 -12.3837 -12.3831 -12.1294 -12.1281 -4.4056 -4.4049 -1.0702 -1.0660 -0.7119 -0.7059 -0.4446 -0.4395 0.3525 0.3576 0.9253 0.9295 1.0082 1.0088 2.2365 2.2386 3.0536 3.0552 3.7164 3.7308 3.7885 3.8023 4.1223 4.1244 5.7011 5.7045 7.2746 7.2782 11.2574 11.2611 11.5018 11.5046 k = 0.0357 0.0196 0.0178 ( 8309 PWs) bands (ev): -40.8673 -40.8673 -14.7300 -14.7298 -13.2334 -13.2326 -12.3820 -12.3815 -12.1266 -12.1256 -4.4098 -4.4093 -1.0621 -1.0589 -0.7057 -0.7011 -0.4380 -0.4341 0.3449 0.3488 0.9212 0.9244 1.0068 1.0070 2.2318 2.2334 3.0379 3.0392 3.7364 3.7503 3.7925 3.8059 4.1307 4.1324 5.6712 5.6738 7.2625 7.2651 11.2722 11.2750 11.5061 11.5083 k = 0.0238 0.0130 0.0119 ( 8305 PWs) bands (ev): -40.8673 -40.8673 -14.7326 -14.7324 -13.2320 -13.2314 -12.3807 -12.3804 -12.1246 -12.1239 -4.4128 -4.4125 -1.0562 -1.0541 -0.7010 -0.6978 -0.4329 -0.4302 0.3396 0.3423 0.9181 0.9203 1.0060 1.0061 2.2286 2.2297 3.0267 3.0275 3.7505 3.7614 3.7981 3.8086 4.1374 4.1387 5.6494 5.6512 7.2539 7.2557 11.2830 11.2849 11.5091 11.5106 k = 0.0119 0.0065 0.0059 ( 8313 PWs) bands (ev): -40.8673 -40.8673 -14.7341 -14.7340 -13.2310 -13.2307 -12.3800 -12.3798 -12.1233 -12.1230 -4.4146 -4.4144 -1.0525 -1.0514 -0.6977 -0.6961 -0.4295 -0.4281 0.3367 0.3381 0.9164 0.9174 1.0056 1.0057 2.2268 2.2274 3.0199 3.0203 3.7596 3.7654 3.8041 3.8097 4.1419 4.1426 5.6363 5.6372 7.2489 7.2498 11.2897 11.2907 11.5111 11.5119 k = 0.0000 0.0000 0.0000 ( 8321 PWs) bands (ev): -40.8673 -40.8673 -14.7346 -14.7346 -13.2306 -13.2306 -12.3797 -12.3797 -12.1228 -12.1228 -4.4151 -4.4151 -1.0509 -1.0509 -0.6961 -0.6961 -0.4278 -0.4278 0.3362 0.3362 0.9161 0.9161 1.0056 1.0056 2.2264 2.2264 3.0178 3.0178 3.7644 3.7644 3.8083 3.8083 4.1437 4.1437 5.6322 5.6322 7.2475 7.2475 11.2923 11.2923 11.5120 11.5120 Writing output data file LiGeBO4.save init_run : 0.72s CPU 0.46s WALL ( 1 calls) electrons : 520.41s CPU 354.89s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.06s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 520.40s CPU 354.87s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.05s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.74s CPU 0.81s WALL ( 453 calls) cegterg : 455.06s CPU 316.87s WALL ( 795 calls) Called by sum_band: Called by *egterg: h_psi : 362.26s CPU 221.45s WALL ( 13968 calls) s_psi : 8.44s CPU 5.68s WALL ( 13968 calls) g_psi : 0.81s CPU 0.63s WALL ( 12720 calls) cdiaghg : 89.95s CPU 77.83s WALL ( 13173 calls) cegterg:over : 16.94s CPU 13.85s WALL ( 12720 calls) cegterg:upda : 17.86s CPU 15.30s WALL ( 12720 calls) cegterg:last : 7.20s CPU 6.53s WALL ( 2100 calls) cdiaghg:chol : 5.20s CPU 4.57s WALL ( 13173 calls) cdiaghg:inve : 2.62s CPU 2.26s WALL ( 13173 calls) cdiaghg:para : 4.98s CPU 4.45s WALL ( 26346 calls) Called by h_psi: h_psi:vloc : 339.45s CPU 204.83s WALL ( 13968 calls) h_psi:vnl : 21.97s CPU 15.97s WALL ( 13968 calls) add_vuspsi : 10.09s CPU 7.08s WALL ( 13968 calls) General routines calbec : 11.82s CPU 8.84s WALL ( 13968 calls) fft : 0.05s CPU 0.03s WALL ( 15 calls) fftw : 323.08s CPU 193.28s WALL ( 1043536 calls) davcio : 0.47s CPU 2.00s WALL ( 906 calls) Parallel routines fft_scatter : 111.21s CPU 77.51s WALL ( 1043551 calls) PWSCF : 9m 9.04s CPU 6m52.18s WALL This run was terminated on: 2: 5:25 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=