Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19: 6:50 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Ge2W.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 56 34 10 1035 471 79 Max 57 35 11 1038 485 81 Sum 2049 1229 367 37327 17217 2865 bravais-lattice index = 14 lattice parameter (alat) = 8.9215 a.u. unit-cell volume = 304.6721 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 22.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 56.0000 Ry charge density cutoff = 374.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.921511 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.752733 celldm(5)= -0.752733 celldm(6)= 0.505465 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.505465 0.862847 0.000000 ) a(3) = ( -0.752733 -0.431424 0.497260 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.585811 1.005510 ) b(2) = ( 0.000000 1.158954 1.005510 ) b(3) = ( 0.000000 0.000000 2.011021 ) 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 W read from file: /users/gautes/Pseudo/W.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 434a31466ac5fb6822520d5f43d3a35f Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1273 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) W 14.00 183.84000 W( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 432 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148 k( 2) = ( 0.0000000 0.0000000 0.0150076), wk = 0.0023148 k( 3) = ( 0.0000000 0.0000000 0.0300152), wk = 0.0023148 k( 4) = ( 0.0000000 0.0000000 0.0450228), wk = 0.0023148 k( 5) = ( 0.0000000 0.0000000 0.0600305), wk = 0.0023148 k( 6) = ( 0.0000000 0.0000000 0.0750381), wk = 0.0023148 k( 7) = ( 0.0000000 0.0000000 0.0900457), wk = 0.0023148 k( 8) = ( 0.0000000 0.0000000 0.1050533), wk = 0.0023148 k( 9) = ( 0.0000000 0.0000000 0.1200609), wk = 0.0023148 k( 10) = ( 0.0000000 0.0000000 0.1350685), wk = 0.0023148 k( 11) = ( 0.0000000 0.0000000 0.1500762), wk = 0.0023148 k( 12) = ( 0.0000000 0.0000000 0.1650838), wk = 0.0023148 k( 13) = ( 0.0000000 0.0000000 0.1800914), wk = 0.0023148 k( 14) = ( 0.0000000 0.0000000 0.1950990), wk = 0.0023148 k( 15) = ( 0.0000000 0.0000000 0.2101066), wk = 0.0023148 k( 16) = ( 0.0000000 0.0000000 0.2251142), wk = 0.0023148 k( 17) = ( 0.0000000 0.0000000 0.2401219), wk = 0.0023148 k( 18) = ( 0.0000000 0.0000000 0.2551295), wk = 0.0023148 k( 19) = ( 0.0000000 0.0000000 0.2701371), wk = 0.0023148 k( 20) = ( 0.0000000 0.0000000 0.2851447), wk = 0.0023148 k( 21) = ( 0.0000000 0.0000000 0.3001523), wk = 0.0023148 k( 22) = ( 0.0000000 0.0000000 0.3151599), wk = 0.0023148 k( 23) = ( 0.0000000 0.0000000 0.3301676), wk = 0.0023148 k( 24) = ( 0.0000000 0.0000000 0.3451752), wk = 0.0023148 k( 25) = ( 0.0000000 0.0000000 0.3601828), wk = 0.0023148 k( 26) = ( 0.0000000 0.0000000 0.3751904), wk = 0.0023148 k( 27) = ( 0.0000000 0.0000000 0.3901980), wk = 0.0023148 k( 28) = ( 0.0000000 0.0000000 0.4052056), wk = 0.0023148 k( 29) = ( 0.0000000 0.0000000 0.4202132), wk = 0.0023148 k( 30) = ( 0.0000000 0.0000000 0.4352209), wk = 0.0023148 k( 31) = ( 0.0000000 0.0000000 0.4502285), wk = 0.0023148 k( 32) = ( 0.0000000 0.0000000 0.4652361), wk = 0.0023148 k( 33) = ( 0.0000000 0.0000000 0.4802437), wk = 0.0023148 k( 34) = ( 0.0000000 0.0000000 0.4952513), wk = 0.0023148 k( 35) = ( 0.0000000 0.0000000 0.5102589), wk = 0.0023148 k( 36) = ( 0.0000000 0.0000000 0.5252666), wk = 0.0023148 k( 37) = ( 0.0000000 0.0000000 0.5402742), wk = 0.0023148 k( 38) = ( 0.0000000 0.0000000 0.5552818), wk = 0.0023148 k( 39) = ( 0.0000000 0.0000000 0.5702894), wk = 0.0023148 k( 40) = ( 0.0000000 0.0000000 0.5852970), wk = 0.0023148 k( 41) = ( 0.0000000 0.0000000 0.6003046), wk = 0.0023148 k( 42) = ( 0.0000000 0.0000000 0.6153123), wk = 0.0023148 k( 43) = ( 0.0000000 0.0000000 0.6303199), wk = 0.0023148 k( 44) = ( 0.0000000 0.0000000 0.6453275), wk = 0.0023148 k( 45) = ( 0.0000000 0.0000000 0.6603351), wk = 0.0023148 k( 46) = ( 0.0000000 0.0000000 0.6753427), wk = 0.0023148 k( 47) = ( 0.0000000 0.0000000 0.6903503), wk = 0.0023148 k( 48) = ( 0.0000000 0.0000000 0.7053580), wk = 0.0023148 k( 49) = ( 0.0000000 0.0000000 0.7203656), wk = 0.0023148 k( 50) = ( 0.0000000 0.0000000 0.7353732), wk = 0.0023148 k( 51) = ( 0.0000000 0.0000000 0.7503808), wk = 0.0023148 k( 52) = ( 0.0000000 0.0000000 0.7653884), wk = 0.0023148 k( 53) = ( 0.0000000 0.0000000 0.7803960), wk = 0.0023148 k( 54) = ( 0.0000000 0.0000000 0.7954037), wk = 0.0023148 k( 55) = ( 0.0000000 0.0000000 0.8104113), wk = 0.0023148 k( 56) = ( 0.0000000 0.0000000 0.8254189), wk = 0.0023148 k( 57) = ( 0.0000000 0.0000000 0.8404265), wk = 0.0023148 k( 58) = ( 0.0000000 0.0000000 0.8554341), wk = 0.0023148 k( 59) = ( 0.0000000 0.0000000 0.8704417), wk = 0.0023148 k( 60) = ( 0.0000000 0.0000000 0.8854494), wk = 0.0023148 k( 61) = ( 0.0000000 0.0000000 0.9004570), wk = 0.0023148 k( 62) = ( 0.0000000 0.0000000 0.9154646), wk = 0.0023148 k( 63) = ( 0.0000000 0.0000000 0.9304722), wk = 0.0023148 k( 64) = ( 0.0000000 0.0000000 0.9454798), wk = 0.0023148 k( 65) = ( 0.0000000 0.0000000 0.9604874), wk = 0.0023148 k( 66) = ( 0.0000000 0.0000000 0.9754951), wk = 0.0023148 k( 67) = ( 0.0000000 0.0000000 0.9905027), wk = 0.0023148 k( 68) = ( 0.0000000 0.0000000 1.0055103), wk = 0.0023148 k( 69) = ( 0.0000000 0.0000000 1.0055103), wk = 0.0023148 k( 70) = ( -0.0074658 0.0130260 1.0055103), wk = 0.0023148 k( 71) = ( -0.0149315 0.0260520 1.0055103), wk = 0.0023148 k( 72) = ( -0.0223973 0.0390779 1.0055103), wk = 0.0023148 k( 73) = ( -0.0298630 0.0521039 1.0055103), wk = 0.0023148 k( 74) = ( -0.0373288 0.0651299 1.0055103), wk = 0.0023148 k( 75) = ( -0.0447945 0.0781559 1.0055103), wk = 0.0023148 k( 76) = ( -0.0522603 0.0911819 1.0055103), wk = 0.0023148 k( 77) = ( -0.0597260 0.1042079 1.0055103), wk = 0.0023148 k( 78) = ( -0.0671918 0.1172338 1.0055103), wk = 0.0023148 k( 79) = ( -0.0746575 0.1302598 1.0055103), wk = 0.0023148 k( 80) = ( -0.0821233 0.1432858 1.0055103), wk = 0.0023148 k( 81) = ( -0.0821233 0.1432858 1.0055103), wk = 0.0023148 k( 82) = ( -0.0873467 0.1523995 0.9950058), wk = 0.0023148 k( 83) = ( -0.0925702 0.1615132 0.9845013), wk = 0.0023148 k( 84) = ( -0.0977937 0.1706269 0.9739968), wk = 0.0023148 k( 85) = ( -0.1030171 0.1797406 0.9634924), wk = 0.0023148 k( 86) = ( -0.1082406 0.1888543 0.9529879), wk = 0.0023148 k( 87) = ( -0.1134640 0.1979680 0.9424834), wk = 0.0023148 k( 88) = ( -0.1186875 0.2070817 0.9319789), wk = 0.0023148 k( 89) = ( -0.1239110 0.2161954 0.9214744), wk = 0.0023148 k( 90) = ( -0.1291344 0.2253092 0.9109699), wk = 0.0023148 k( 91) = ( -0.1343579 0.2344229 0.9004655), wk = 0.0023148 k( 92) = ( -0.1395813 0.2435366 0.8899610), wk = 0.0023148 k( 93) = ( -0.1448048 0.2526503 0.8794565), wk = 0.0023148 k( 94) = ( -0.1500283 0.2617640 0.8689520), wk = 0.0023148 k( 95) = ( -0.1552517 0.2708777 0.8584475), wk = 0.0023148 k( 96) = ( -0.1604752 0.2799914 0.8479430), wk = 0.0023148 k( 97) = ( -0.1656986 0.2891051 0.8374386), wk = 0.0023148 k( 98) = ( -0.1709221 0.2982188 0.8269341), wk = 0.0023148 k( 99) = ( -0.1761455 0.3073325 0.8164296), wk = 0.0023148 k( 100) = ( -0.1813690 0.3164462 0.8059251), wk = 0.0023148 k( 101) = ( -0.1865925 0.3255599 0.7954206), wk = 0.0023148 k( 102) = ( -0.1918159 0.3346736 0.7849161), wk = 0.0023148 k( 103) = ( -0.1970394 0.3437874 0.7744117), wk = 0.0023148 k( 104) = ( -0.2022628 0.3529011 0.7639072), wk = 0.0023148 k( 105) = ( -0.2074863 0.3620148 0.7534027), wk = 0.0023148 k( 106) = ( -0.2127098 0.3711285 0.7428982), wk = 0.0023148 k( 107) = ( -0.2179332 0.3802422 0.7323937), wk = 0.0023148 k( 108) = ( -0.2231567 0.3893559 0.7218892), wk = 0.0023148 k( 109) = ( -0.2283801 0.3984696 0.7113848), wk = 0.0023148 k( 110) = ( -0.2336036 0.4075833 0.7008803), wk = 0.0023148 k( 111) = ( -0.2388271 0.4166970 0.6903758), wk = 0.0023148 k( 112) = ( -0.2440505 0.4258107 0.6798713), wk = 0.0023148 k( 113) = ( -0.2492740 0.4349244 0.6693668), wk = 0.0023148 k( 114) = ( -0.2544974 0.4440381 0.6588623), wk = 0.0023148 k( 115) = ( -0.2597209 0.4531518 0.6483578), wk = 0.0023148 k( 116) = ( -0.2649443 0.4622655 0.6378534), wk = 0.0023148 k( 117) = ( -0.2701678 0.4713792 0.6273489), wk = 0.0023148 k( 118) = ( -0.2753913 0.4804929 0.6168444), wk = 0.0023148 k( 119) = ( -0.2806147 0.4896067 0.6063399), wk = 0.0023148 k( 120) = ( -0.2858382 0.4987204 0.5958354), wk = 0.0023148 k( 121) = ( -0.2910616 0.5078341 0.5853310), wk = 0.0023148 k( 122) = ( -0.2910616 0.5078341 0.5853310), wk = 0.0023148 k( 123) = ( -0.2858641 0.4987656 0.5748786), wk = 0.0023148 k( 124) = ( -0.2806666 0.4896971 0.5644263), wk = 0.0023148 k( 125) = ( -0.2754690 0.4806287 0.5539739), wk = 0.0023148 k( 126) = ( -0.2702715 0.4715602 0.5435216), wk = 0.0023148 k( 127) = ( -0.2650740 0.4624917 0.5330693), wk = 0.0023148 k( 128) = ( -0.2598765 0.4534233 0.5226169), wk = 0.0023148 k( 129) = ( -0.2546789 0.4443548 0.5121646), wk = 0.0023148 k( 130) = ( -0.2494814 0.4352864 0.5017123), wk = 0.0023148 k( 131) = ( -0.2442839 0.4262179 0.4912599), wk = 0.0023148 k( 132) = ( -0.2390864 0.4171494 0.4808076), wk = 0.0023148 k( 133) = ( -0.2338888 0.4080810 0.4703552), wk = 0.0023148 k( 134) = ( -0.2286913 0.3990125 0.4599029), wk = 0.0023148 k( 135) = ( -0.2234938 0.3899440 0.4494506), wk = 0.0023148 k( 136) = ( -0.2182962 0.3808756 0.4389982), wk = 0.0023148 k( 137) = ( -0.2130987 0.3718071 0.4285459), wk = 0.0023148 k( 138) = ( -0.2079012 0.3627386 0.4180935), wk = 0.0023148 k( 139) = ( -0.2027036 0.3536702 0.4076412), wk = 0.0023148 k( 140) = ( -0.1975061 0.3446017 0.3971889), wk = 0.0023148 k( 141) = ( -0.1923086 0.3355332 0.3867365), wk = 0.0023148 k( 142) = ( -0.1871111 0.3264648 0.3762842), wk = 0.0023148 k( 143) = ( -0.1819135 0.3173963 0.3658318), wk = 0.0023148 k( 144) = ( -0.1767160 0.3083278 0.3553795), wk = 0.0023148 k( 145) = ( -0.1715185 0.2992594 0.3449272), wk = 0.0023148 k( 146) = ( -0.1663209 0.2901909 0.3344748), wk = 0.0023148 k( 147) = ( -0.1611234 0.2811224 0.3240225), wk = 0.0023148 k( 148) = ( -0.1559259 0.2720540 0.3135702), wk = 0.0023148 k( 149) = ( -0.1507284 0.2629855 0.3031178), wk = 0.0023148 k( 150) = ( -0.1455308 0.2539170 0.2926655), wk = 0.0023148 k( 151) = ( -0.1403333 0.2448486 0.2822131), wk = 0.0023148 k( 152) = ( -0.1351358 0.2357801 0.2717608), wk = 0.0023148 k( 153) = ( -0.1299382 0.2267116 0.2613085), wk = 0.0023148 k( 154) = ( -0.1247407 0.2176432 0.2508561), wk = 0.0023148 k( 155) = ( -0.1195432 0.2085747 0.2404038), wk = 0.0023148 k( 156) = ( -0.1143456 0.1995062 0.2299514), wk = 0.0023148 k( 157) = ( -0.1091481 0.1904378 0.2194991), wk = 0.0023148 k( 158) = ( -0.1039506 0.1813693 0.2090468), wk = 0.0023148 k( 159) = ( -0.0987531 0.1723009 0.1985944), wk = 0.0023148 k( 160) = ( -0.0935555 0.1632324 0.1881421), wk = 0.0023148 k( 161) = ( -0.0883580 0.1541639 0.1776898), wk = 0.0023148 k( 162) = ( -0.0831605 0.1450955 0.1672374), wk = 0.0023148 k( 163) = ( -0.0779629 0.1360270 0.1567851), wk = 0.0023148 k( 164) = ( -0.0727654 0.1269585 0.1463327), wk = 0.0023148 k( 165) = ( -0.0675679 0.1178901 0.1358804), wk = 0.0023148 k( 166) = ( -0.0623703 0.1088216 0.1254281), wk = 0.0023148 k( 167) = ( -0.0571728 0.0997531 0.1149757), wk = 0.0023148 k( 168) = ( -0.0519753 0.0906847 0.1045234), wk = 0.0023148 k( 169) = ( -0.0467778 0.0816162 0.0940710), wk = 0.0023148 k( 170) = ( -0.0415802 0.0725477 0.0836187), wk = 0.0023148 k( 171) = ( -0.0363827 0.0634793 0.0731664), wk = 0.0023148 k( 172) = ( -0.0311852 0.0544108 0.0627140), wk = 0.0023148 k( 173) = ( -0.0259877 0.0453423 0.0522617), wk = 0.0023148 k( 174) = ( -0.0207901 0.0362739 0.0418094), wk = 0.0023148 k( 175) = ( -0.0155926 0.0272054 0.0313570), wk = 0.0023148 k( 176) = ( -0.0103951 0.0181369 0.0209047), wk = 0.0023148 k( 177) = ( -0.0051975 0.0090685 0.0104523), wk = 0.0023148 k( 178) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148 k( 179) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148 k( 180) = ( 0.0128205 0.0073480 0.0000000), wk = 0.0023148 k( 181) = ( 0.0256410 0.0146960 -0.0000000), wk = 0.0023148 k( 182) = ( 0.0384615 0.0220440 -0.0000000), wk = 0.0023148 k( 183) = ( 0.0512821 0.0293920 -0.0000000), wk = 0.0023148 k( 184) = ( 0.0641026 0.0367399 -0.0000000), wk = 0.0023148 k( 185) = ( 0.0769231 0.0440879 -0.0000000), wk = 0.0023148 k( 186) = ( 0.0897436 0.0514359 -0.0000000), wk = 0.0023148 k( 187) = ( 0.1025641 0.0587839 -0.0000000), wk = 0.0023148 k( 188) = ( 0.1153846 0.0661319 -0.0000000), wk = 0.0023148 k( 189) = ( 0.1282051 0.0734799 0.0000000), wk = 0.0023148 k( 190) = ( 0.1410256 0.0808279 -0.0000000), wk = 0.0023148 k( 191) = ( 0.1538461 0.0881759 0.0000000), wk = 0.0023148 k( 192) = ( 0.1666667 0.0955239 0.0000000), wk = 0.0023148 k( 193) = ( 0.1794872 0.1028719 -0.0000000), wk = 0.0023148 k( 194) = ( 0.1923077 0.1102198 0.0000000), wk = 0.0023148 k( 195) = ( 0.2051282 0.1175678 0.0000000), wk = 0.0023148 k( 196) = ( 0.2179487 0.1249158 -0.0000000), wk = 0.0023148 k( 197) = ( 0.2307692 0.1322638 0.0000000), wk = 0.0023148 k( 198) = ( 0.2435897 0.1396118 -0.0000000), wk = 0.0023148 k( 199) = ( 0.2564103 0.1469598 0.0000000), wk = 0.0023148 k( 200) = ( 0.2692308 0.1543078 0.0000000), wk = 0.0023148 k( 201) = ( 0.2820513 0.1616558 -0.0000000), wk = 0.0023148 k( 202) = ( 0.2948718 0.1690038 -0.0000000), wk = 0.0023148 k( 203) = ( 0.3076923 0.1763518 -0.0000000), wk = 0.0023148 k( 204) = ( 0.3205128 0.1836997 0.0000000), wk = 0.0023148 k( 205) = ( 0.3333333 0.1910477 0.0000000), wk = 0.0023148 k( 206) = ( 0.3461538 0.1983957 0.0000000), wk = 0.0023148 k( 207) = ( 0.3589744 0.2057437 -0.0000000), wk = 0.0023148 k( 208) = ( 0.3717949 0.2130917 -0.0000000), wk = 0.0023148 k( 209) = ( 0.3846154 0.2204397 0.0000000), wk = 0.0023148 k( 210) = ( 0.3974359 0.2277877 0.0000000), wk = 0.0023148 k( 211) = ( 0.4102564 0.2351357 -0.0000000), wk = 0.0023148 k( 212) = ( 0.4230769 0.2424837 -0.0000000), wk = 0.0023148 k( 213) = ( 0.4358974 0.2498317 -0.0000000), wk = 0.0023148 k( 214) = ( 0.4487179 0.2571796 0.0000000), wk = 0.0023148 k( 215) = ( 0.4615385 0.2645276 0.0000000), wk = 0.0023148 k( 216) = ( 0.4743590 0.2718756 -0.0000000), wk = 0.0023148 k( 217) = ( 0.4871795 0.2792236 -0.0000000), wk = 0.0023148 k( 218) = ( 0.5000000 0.2865716 0.0000000), wk = 0.0023148 k( 219) = ( 0.5000000 0.2865716 0.0000000), wk = 0.0023148 k( 220) = ( 0.4947765 0.2956853 0.0105045), wk = 0.0023148 k( 221) = ( 0.4895531 0.3047990 0.0210090), wk = 0.0023148 k( 222) = ( 0.4843296 0.3139127 0.0315135), wk = 0.0023148 k( 223) = ( 0.4791062 0.3230264 0.0420179), wk = 0.0023148 k( 224) = ( 0.4738827 0.3321401 0.0525224), wk = 0.0023148 k( 225) = ( 0.4686593 0.3412538 0.0630269), wk = 0.0023148 k( 226) = ( 0.4634358 0.3503675 0.0735314), wk = 0.0023148 k( 227) = ( 0.4582123 0.3594812 0.0840359), wk = 0.0023148 k( 228) = ( 0.4529889 0.3685950 0.0945404), wk = 0.0023148 k( 229) = ( 0.4477654 0.3777087 0.1050448), wk = 0.0023148 k( 230) = ( 0.4425420 0.3868224 0.1155493), wk = 0.0023148 k( 231) = ( 0.4373185 0.3959361 0.1260538), wk = 0.0023148 k( 232) = ( 0.4320950 0.4050498 0.1365583), wk = 0.0023148 k( 233) = ( 0.4268716 0.4141635 0.1470628), wk = 0.0023148 k( 234) = ( 0.4216481 0.4232772 0.1575673), wk = 0.0023148 k( 235) = ( 0.4164247 0.4323909 0.1680717), wk = 0.0023148 k( 236) = ( 0.4112012 0.4415046 0.1785762), wk = 0.0023148 k( 237) = ( 0.4059777 0.4506183 0.1890807), wk = 0.0023148 k( 238) = ( 0.4007543 0.4597320 0.1995852), wk = 0.0023148 k( 239) = ( 0.3955308 0.4688457 0.2100897), wk = 0.0023148 k( 240) = ( 0.3903074 0.4779594 0.2205942), wk = 0.0023148 k( 241) = ( 0.3850839 0.4870731 0.2310986), wk = 0.0023148 k( 242) = ( 0.3798604 0.4961869 0.2416031), wk = 0.0023148 k( 243) = ( 0.3746370 0.5053006 0.2521076), wk = 0.0023148 k( 244) = ( 0.3694135 0.5144143 0.2626121), wk = 0.0023148 k( 245) = ( 0.3641901 0.5235280 0.2731166), wk = 0.0023148 k( 246) = ( 0.3589666 0.5326417 0.2836211), wk = 0.0023148 k( 247) = ( 0.3537432 0.5417554 0.2941255), wk = 0.0023148 k( 248) = ( 0.3485197 0.5508691 0.3046300), wk = 0.0023148 k( 249) = ( 0.3432962 0.5599828 0.3151345), wk = 0.0023148 k( 250) = ( 0.3380728 0.5690965 0.3256390), wk = 0.0023148 k( 251) = ( 0.3328493 0.5782102 0.3361435), wk = 0.0023148 k( 252) = ( 0.3276258 0.5873239 0.3466480), wk = 0.0023148 k( 253) = ( 0.3224024 0.5964376 0.3571524), wk = 0.0023148 k( 254) = ( 0.3171789 0.6055513 0.3676569), wk = 0.0023148 k( 255) = ( 0.3119555 0.6146650 0.3781614), wk = 0.0023148 k( 256) = ( 0.3067320 0.6237787 0.3886659), wk = 0.0023148 k( 257) = ( 0.3015086 0.6328925 0.3991704), wk = 0.0023148 k( 258) = ( 0.2962851 0.6420062 0.4096749), wk = 0.0023148 k( 259) = ( 0.2910616 0.6511199 0.4201793), wk = 0.0023148 k( 260) = ( 0.2910616 0.6511199 0.4201793), wk = 0.0023148 k( 261) = ( 0.2772016 0.6477083 0.4241115), wk = 0.0023148 k( 262) = ( 0.2633415 0.6442967 0.4280437), wk = 0.0023148 k( 263) = ( 0.2494814 0.6408852 0.4319759), wk = 0.0023148 k( 264) = ( 0.2356213 0.6374736 0.4359081), wk = 0.0023148 k( 265) = ( 0.2217612 0.6340620 0.4398402), wk = 0.0023148 k( 266) = ( 0.2079012 0.6306505 0.4437724), wk = 0.0023148 k( 267) = ( 0.1940411 0.6272389 0.4477046), wk = 0.0023148 k( 268) = ( 0.1801810 0.6238273 0.4516368), wk = 0.0023148 k( 269) = ( 0.1663209 0.6204158 0.4555690), wk = 0.0023148 k( 270) = ( 0.1524609 0.6170042 0.4595012), wk = 0.0023148 k( 271) = ( 0.1386008 0.6135926 0.4634333), wk = 0.0023148 k( 272) = ( 0.1247407 0.6101811 0.4673655), wk = 0.0023148 k( 273) = ( 0.1108806 0.6067695 0.4712977), wk = 0.0023148 k( 274) = ( 0.0970205 0.6033579 0.4752299), wk = 0.0023148 k( 275) = ( 0.0831605 0.5999464 0.4791621), wk = 0.0023148 k( 276) = ( 0.0693004 0.5965348 0.4830942), wk = 0.0023148 k( 277) = ( 0.0554403 0.5931232 0.4870264), wk = 0.0023148 k( 278) = ( 0.0415802 0.5897117 0.4909586), wk = 0.0023148 k( 279) = ( 0.0277202 0.5863001 0.4948908), wk = 0.0023148 k( 280) = ( 0.0138601 0.5828885 0.4988230), wk = 0.0023148 k( 281) = ( 0.0000000 0.5794770 0.5027551), wk = 0.0023148 k( 282) = ( 0.0000000 0.5794770 0.5027551), wk = 0.0023148 k( 283) = ( 0.0052083 0.5703897 0.5132292), wk = 0.0023148 k( 284) = ( 0.0104167 0.5613023 0.5237033), wk = 0.0023148 k( 285) = ( 0.0156250 0.5522150 0.5341773), wk = 0.0023148 k( 286) = ( 0.0208333 0.5431277 0.5446514), wk = 0.0023148 k( 287) = ( 0.0260417 0.5340404 0.5551255), wk = 0.0023148 k( 288) = ( 0.0312500 0.5249531 0.5655995), wk = 0.0023148 k( 289) = ( 0.0364583 0.5158658 0.5760736), wk = 0.0023148 k( 290) = ( 0.0416667 0.5067784 0.5865477), wk = 0.0023148 k( 291) = ( 0.0468750 0.4976911 0.5970217), wk = 0.0023148 k( 292) = ( 0.0520833 0.4886038 0.6074958), wk = 0.0023148 k( 293) = ( 0.0572917 0.4795165 0.6179699), wk = 0.0023148 k( 294) = ( 0.0625000 0.4704292 0.6284439), wk = 0.0023148 k( 295) = ( 0.0677083 0.4613419 0.6389180), wk = 0.0023148 k( 296) = ( 0.0729167 0.4522545 0.6493921), wk = 0.0023148 k( 297) = ( 0.0781250 0.4431672 0.6598661), wk = 0.0023148 k( 298) = ( 0.0833333 0.4340799 0.6703402), wk = 0.0023148 k( 299) = ( 0.0885417 0.4249926 0.6808143), wk = 0.0023148 k( 300) = ( 0.0937500 0.4159053 0.6912883), wk = 0.0023148 k( 301) = ( 0.0989583 0.4068180 0.7017624), wk = 0.0023148 k( 302) = ( 0.1041667 0.3977306 0.7122365), wk = 0.0023148 k( 303) = ( 0.1093750 0.3886433 0.7227105), wk = 0.0023148 k( 304) = ( 0.1145833 0.3795560 0.7331846), wk = 0.0023148 k( 305) = ( 0.1197917 0.3704687 0.7436587), wk = 0.0023148 k( 306) = ( 0.1250000 0.3613814 0.7541327), wk = 0.0023148 k( 307) = ( 0.1302083 0.3522941 0.7646068), wk = 0.0023148 k( 308) = ( 0.1354167 0.3432067 0.7750809), wk = 0.0023148 k( 309) = ( 0.1406250 0.3341194 0.7855549), wk = 0.0023148 k( 310) = ( 0.1458333 0.3250321 0.7960290), wk = 0.0023148 k( 311) = ( 0.1510417 0.3159448 0.8065031), wk = 0.0023148 k( 312) = ( 0.1562500 0.3068575 0.8169771), wk = 0.0023148 k( 313) = ( 0.1614583 0.2977702 0.8274512), wk = 0.0023148 k( 314) = ( 0.1666667 0.2886828 0.8379253), wk = 0.0023148 k( 315) = ( 0.1718750 0.2795955 0.8483993), wk = 0.0023148 k( 316) = ( 0.1770833 0.2705082 0.8588734), wk = 0.0023148 k( 317) = ( 0.1822917 0.2614209 0.8693474), wk = 0.0023148 k( 318) = ( 0.1875000 0.2523336 0.8798215), wk = 0.0023148 k( 319) = ( 0.1927083 0.2432463 0.8902956), wk = 0.0023148 k( 320) = ( 0.1979167 0.2341590 0.9007696), wk = 0.0023148 k( 321) = ( 0.2031250 0.2250716 0.9112437), wk = 0.0023148 k( 322) = ( 0.2083333 0.2159843 0.9217178), wk = 0.0023148 k( 323) = ( 0.2135417 0.2068970 0.9321918), wk = 0.0023148 k( 324) = ( 0.2187500 0.1978097 0.9426659), wk = 0.0023148 k( 325) = ( 0.2239583 0.1887224 0.9531400), wk = 0.0023148 k( 326) = ( 0.2291667 0.1796351 0.9636140), wk = 0.0023148 k( 327) = ( 0.2343750 0.1705477 0.9740881), wk = 0.0023148 k( 328) = ( 0.2395833 0.1614604 0.9845622), wk = 0.0023148 k( 329) = ( 0.2447917 0.1523731 0.9950362), wk = 0.0023148 k( 330) = ( 0.2500000 0.1432858 1.0055103), wk = 0.0023148 k( 331) = ( 0.2500000 0.1432858 1.0055103), wk = 0.0023148 k( 332) = ( 0.2608696 0.1495156 0.9983298), wk = 0.0023148 k( 333) = ( 0.2717391 0.1557454 0.9911493), wk = 0.0023148 k( 334) = ( 0.2826087 0.1619753 0.9839688), wk = 0.0023148 k( 335) = ( 0.2934783 0.1682051 0.9767883), wk = 0.0023148 k( 336) = ( 0.3043478 0.1744349 0.9696078), wk = 0.0023148 k( 337) = ( 0.3152174 0.1806647 0.9624273), wk = 0.0023148 k( 338) = ( 0.3260870 0.1868945 0.9552468), wk = 0.0023148 k( 339) = ( 0.3369565 0.1931243 0.9480663), wk = 0.0023148 k( 340) = ( 0.3478261 0.1993542 0.9408858), wk = 0.0023148 k( 341) = ( 0.3586956 0.2055840 0.9337052), wk = 0.0023148 k( 342) = ( 0.3695652 0.2118138 0.9265247), wk = 0.0023148 k( 343) = ( 0.3804348 0.2180436 0.9193442), wk = 0.0023148 k( 344) = ( 0.3913044 0.2242734 0.9121637), wk = 0.0023148 k( 345) = ( 0.4021739 0.2305032 0.9049832), wk = 0.0023148 k( 346) = ( 0.4130435 0.2367331 0.8978027), wk = 0.0023148 k( 347) = ( 0.4239130 0.2429629 0.8906222), wk = 0.0023148 k( 348) = ( 0.4347826 0.2491927 0.8834417), wk = 0.0023148 k( 349) = ( 0.4456522 0.2554225 0.8762612), wk = 0.0023148 k( 350) = ( 0.4565217 0.2616523 0.8690807), wk = 0.0023148 k( 351) = ( 0.4673913 0.2678821 0.8619002), wk = 0.0023148 k( 352) = ( 0.4782609 0.2741120 0.8547197), wk = 0.0023148 k( 353) = ( 0.4891304 0.2803418 0.8475392), wk = 0.0023148 k( 354) = ( 0.5000000 0.2865716 0.8403587), wk = 0.0023148 k( 355) = ( 0.5000000 0.2865716 0.8403587), wk = 0.0023148 k( 356) = ( 0.5000000 0.2865716 0.8253523), wk = 0.0023148 k( 357) = ( 0.5000000 0.2865716 0.8103459), wk = 0.0023148 k( 358) = ( 0.5000000 0.2865716 0.7953395), wk = 0.0023148 k( 359) = ( 0.5000000 0.2865716 0.7803331), wk = 0.0023148 k( 360) = ( 0.5000000 0.2865716 0.7653267), wk = 0.0023148 k( 361) = ( 0.5000000 0.2865716 0.7503202), wk = 0.0023148 k( 362) = ( 0.5000000 0.2865716 0.7353139), wk = 0.0023148 k( 363) = ( 0.5000000 0.2865716 0.7203075), wk = 0.0023148 k( 364) = ( 0.5000000 0.2865716 0.7053010), wk = 0.0023148 k( 365) = ( 0.5000000 0.2865716 0.6902946), wk = 0.0023148 k( 366) = ( 0.5000000 0.2865716 0.6752882), wk = 0.0023148 k( 367) = ( 0.5000000 0.2865716 0.6602818), wk = 0.0023148 k( 368) = ( 0.5000000 0.2865716 0.6452754), wk = 0.0023148 k( 369) = ( 0.5000000 0.2865716 0.6302690), wk = 0.0023148 k( 370) = ( 0.5000000 0.2865716 0.6152626), wk = 0.0023148 k( 371) = ( 0.5000000 0.2865716 0.6002562), wk = 0.0023148 k( 372) = ( 0.5000000 0.2865716 0.5852498), wk = 0.0023148 k( 373) = ( 0.5000000 0.2865716 0.5702434), wk = 0.0023148 k( 374) = ( 0.5000000 0.2865716 0.5552370), wk = 0.0023148 k( 375) = ( 0.5000000 0.2865716 0.5402306), wk = 0.0023148 k( 376) = ( 0.5000000 0.2865716 0.5252242), wk = 0.0023148 k( 377) = ( 0.5000000 0.2865716 0.5102178), wk = 0.0023148 k( 378) = ( 0.5000000 0.2865716 0.4952114), wk = 0.0023148 k( 379) = ( 0.5000000 0.2865716 0.4802050), wk = 0.0023148 k( 380) = ( 0.5000000 0.2865716 0.4651986), wk = 0.0023148 k( 381) = ( 0.5000000 0.2865716 0.4501922), wk = 0.0023148 k( 382) = ( 0.5000000 0.2865716 0.4351857), wk = 0.0023148 k( 383) = ( 0.5000000 0.2865716 0.4201793), wk = 0.0023148 k( 384) = ( 0.5000000 0.2865716 0.4051729), wk = 0.0023148 k( 385) = ( 0.5000000 0.2865716 0.3901665), wk = 0.0023148 k( 386) = ( 0.5000000 0.2865716 0.3751601), wk = 0.0023148 k( 387) = ( 0.5000000 0.2865716 0.3601537), wk = 0.0023148 k( 388) = ( 0.5000000 0.2865716 0.3451473), wk = 0.0023148 k( 389) = ( 0.5000000 0.2865716 0.3301409), wk = 0.0023148 k( 390) = ( 0.5000000 0.2865716 0.3151345), wk = 0.0023148 k( 391) = ( 0.5000000 0.2865716 0.3001281), wk = 0.0023148 k( 392) = ( 0.5000000 0.2865716 0.2851217), wk = 0.0023148 k( 393) = ( 0.5000000 0.2865716 0.2701153), wk = 0.0023148 k( 394) = ( 0.5000000 0.2865716 0.2551089), wk = 0.0023148 k( 395) = ( 0.5000000 0.2865716 0.2401025), wk = 0.0023148 k( 396) = ( 0.5000000 0.2865716 0.2250961), wk = 0.0023148 k( 397) = ( 0.5000000 0.2865716 0.2100897), wk = 0.0023148 k( 398) = ( 0.5000000 0.2865716 0.1950833), wk = 0.0023148 k( 399) = ( 0.5000000 0.2865716 0.1800769), wk = 0.0023148 k( 400) = ( 0.5000000 0.2865716 0.1650705), wk = 0.0023148 k( 401) = ( 0.5000000 0.2865716 0.1500640), wk = 0.0023148 k( 402) = ( 0.5000000 0.2865716 0.1350576), wk = 0.0023148 k( 403) = ( 0.5000000 0.2865716 0.1200512), wk = 0.0023148 k( 404) = ( 0.5000000 0.2865716 0.1050448), wk = 0.0023148 k( 405) = ( 0.5000000 0.2865716 0.0900384), wk = 0.0023148 k( 406) = ( 0.5000000 0.2865716 0.0750320), wk = 0.0023148 k( 407) = ( 0.5000000 0.2865716 0.0600256), wk = 0.0023148 k( 408) = ( 0.5000000 0.2865716 0.0450192), wk = 0.0023148 k( 409) = ( 0.5000000 0.2865716 0.0300128), wk = 0.0023148 k( 410) = ( 0.5000000 0.2865716 0.0150064), wk = 0.0023148 k( 411) = ( 0.5000000 0.2865716 0.0000000), wk = 0.0023148 k( 412) = ( 0.0000000 0.0000000 1.0055103), wk = 0.0023148 k( 413) = ( 0.0125000 0.0071643 1.0055103), wk = 0.0023148 k( 414) = ( 0.0250000 0.0143286 1.0055103), wk = 0.0023148 k( 415) = ( 0.0375000 0.0214929 1.0055103), wk = 0.0023148 k( 416) = ( 0.0500000 0.0286572 1.0055103), wk = 0.0023148 k( 417) = ( 0.0625000 0.0358214 1.0055103), wk = 0.0023148 k( 418) = ( 0.0750000 0.0429857 1.0055103), wk = 0.0023148 k( 419) = ( 0.0875000 0.0501500 1.0055103), wk = 0.0023148 k( 420) = ( 0.1000000 0.0573143 1.0055103), wk = 0.0023148 k( 421) = ( 0.1125000 0.0644786 1.0055103), wk = 0.0023148 k( 422) = ( 0.1250000 0.0716429 1.0055103), wk = 0.0023148 k( 423) = ( 0.1375000 0.0788072 1.0055103), wk = 0.0023148 k( 424) = ( 0.1500000 0.0859715 1.0055103), wk = 0.0023148 k( 425) = ( 0.1625000 0.0931358 1.0055103), wk = 0.0023148 k( 426) = ( 0.1750000 0.1003001 1.0055103), wk = 0.0023148 k( 427) = ( 0.1875000 0.1074643 1.0055103), wk = 0.0023148 k( 428) = ( 0.2000000 0.1146286 1.0055103), wk = 0.0023148 k( 429) = ( 0.2125000 0.1217929 1.0055103), wk = 0.0023148 k( 430) = ( 0.2250000 0.1289572 1.0055103), wk = 0.0023148 k( 431) = ( 0.2375000 0.1361215 1.0055103), wk = 0.0023148 k( 432) = ( 0.2500000 0.1432858 1.0055103), wk = 0.0023148 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148 k( 2) = ( 0.0000000 0.0000000 0.0074627), wk = 0.0023148 k( 3) = ( 0.0000000 0.0000000 0.0149254), wk = 0.0023148 k( 4) = ( 0.0000000 0.0000000 0.0223881), wk = 0.0023148 k( 5) = ( 0.0000000 0.0000000 0.0298507), wk = 0.0023148 k( 6) = ( 0.0000000 0.0000000 0.0373134), wk = 0.0023148 k( 7) = ( 0.0000000 0.0000000 0.0447761), wk = 0.0023148 k( 8) = ( 0.0000000 0.0000000 0.0522388), wk = 0.0023148 k( 9) = ( 0.0000000 0.0000000 0.0597015), wk = 0.0023148 k( 10) = ( 0.0000000 0.0000000 0.0671642), wk = 0.0023148 k( 11) = ( 0.0000000 0.0000000 0.0746269), wk = 0.0023148 k( 12) = ( 0.0000000 0.0000000 0.0820895), wk = 0.0023148 k( 13) = ( 0.0000000 0.0000000 0.0895522), wk = 0.0023148 k( 14) = ( 0.0000000 0.0000000 0.0970149), wk = 0.0023148 k( 15) = ( 0.0000000 0.0000000 0.1044776), wk = 0.0023148 k( 16) = ( 0.0000000 0.0000000 0.1119403), wk = 0.0023148 k( 17) = ( 0.0000000 0.0000000 0.1194030), wk = 0.0023148 k( 18) = ( 0.0000000 0.0000000 0.1268657), wk = 0.0023148 k( 19) = ( 0.0000000 0.0000000 0.1343284), wk = 0.0023148 k( 20) = ( 0.0000000 0.0000000 0.1417910), wk = 0.0023148 k( 21) = ( 0.0000000 0.0000000 0.1492537), wk = 0.0023148 k( 22) = ( 0.0000000 0.0000000 0.1567164), wk = 0.0023148 k( 23) = ( 0.0000000 0.0000000 0.1641791), wk = 0.0023148 k( 24) = ( 0.0000000 0.0000000 0.1716418), wk = 0.0023148 k( 25) = ( 0.0000000 0.0000000 0.1791045), wk = 0.0023148 k( 26) = ( 0.0000000 0.0000000 0.1865672), wk = 0.0023148 k( 27) = ( 0.0000000 0.0000000 0.1940298), wk = 0.0023148 k( 28) = ( 0.0000000 0.0000000 0.2014925), wk = 0.0023148 k( 29) = ( 0.0000000 0.0000000 0.2089552), wk = 0.0023148 k( 30) = ( 0.0000000 0.0000000 0.2164179), wk = 0.0023148 k( 31) = ( 0.0000000 0.0000000 0.2238806), wk = 0.0023148 k( 32) = ( 0.0000000 0.0000000 0.2313433), wk = 0.0023148 k( 33) = ( 0.0000000 0.0000000 0.2388060), wk = 0.0023148 k( 34) = ( 0.0000000 0.0000000 0.2462687), wk = 0.0023148 k( 35) = ( 0.0000000 0.0000000 0.2537313), wk = 0.0023148 k( 36) = ( 0.0000000 0.0000000 0.2611940), wk = 0.0023148 k( 37) = ( 0.0000000 0.0000000 0.2686567), wk = 0.0023148 k( 38) = ( 0.0000000 0.0000000 0.2761194), wk = 0.0023148 k( 39) = ( 0.0000000 0.0000000 0.2835821), wk = 0.0023148 k( 40) = ( 0.0000000 0.0000000 0.2910448), wk = 0.0023148 k( 41) = ( 0.0000000 0.0000000 0.2985075), wk = 0.0023148 k( 42) = ( 0.0000000 0.0000000 0.3059701), wk = 0.0023148 k( 43) = ( 0.0000000 0.0000000 0.3134328), wk = 0.0023148 k( 44) = ( 0.0000000 0.0000000 0.3208955), wk = 0.0023148 k( 45) = ( 0.0000000 0.0000000 0.3283582), wk = 0.0023148 k( 46) = ( 0.0000000 0.0000000 0.3358209), wk = 0.0023148 k( 47) = ( 0.0000000 0.0000000 0.3432836), wk = 0.0023148 k( 48) = ( 0.0000000 0.0000000 0.3507463), wk = 0.0023148 k( 49) = ( 0.0000000 0.0000000 0.3582090), wk = 0.0023148 k( 50) = ( 0.0000000 0.0000000 0.3656716), wk = 0.0023148 k( 51) = ( 0.0000000 0.0000000 0.3731343), wk = 0.0023148 k( 52) = ( 0.0000000 0.0000000 0.3805970), wk = 0.0023148 k( 53) = ( 0.0000000 0.0000000 0.3880597), wk = 0.0023148 k( 54) = ( 0.0000000 0.0000000 0.3955224), wk = 0.0023148 k( 55) = ( 0.0000000 0.0000000 0.4029851), wk = 0.0023148 k( 56) = ( 0.0000000 0.0000000 0.4104478), wk = 0.0023148 k( 57) = ( 0.0000000 0.0000000 0.4179104), wk = 0.0023148 k( 58) = ( 0.0000000 0.0000000 0.4253731), wk = 0.0023148 k( 59) = ( 0.0000000 0.0000000 0.4328358), wk = 0.0023148 k( 60) = ( 0.0000000 0.0000000 0.4402985), wk = 0.0023148 k( 61) = ( 0.0000000 0.0000000 0.4477612), wk = 0.0023148 k( 62) = ( 0.0000000 0.0000000 0.4552239), wk = 0.0023148 k( 63) = ( 0.0000000 0.0000000 0.4626866), wk = 0.0023148 k( 64) = ( 0.0000000 0.0000000 0.4701492), wk = 0.0023148 k( 65) = ( 0.0000000 0.0000000 0.4776119), wk = 0.0023148 k( 66) = ( 0.0000000 0.0000000 0.4850746), wk = 0.0023148 k( 67) = ( 0.0000000 0.0000000 0.4925373), wk = 0.0023148 k( 68) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023148 k( 69) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023148 k( 70) = ( -0.0074658 0.0074658 0.5000000), wk = 0.0023148 k( 71) = ( -0.0149315 0.0149315 0.5000000), wk = 0.0023148 k( 72) = ( -0.0223973 0.0223973 0.5000000), wk = 0.0023148 k( 73) = ( -0.0298630 0.0298630 0.5000000), wk = 0.0023148 k( 74) = ( -0.0373288 0.0373288 0.5000000), wk = 0.0023148 k( 75) = ( -0.0447945 0.0447945 0.5000000), wk = 0.0023148 k( 76) = ( -0.0522603 0.0522603 0.5000000), wk = 0.0023148 k( 77) = ( -0.0597260 0.0597260 0.5000000), wk = 0.0023148 k( 78) = ( -0.0671918 0.0671918 0.5000000), wk = 0.0023148 k( 79) = ( -0.0746575 0.0746575 0.5000000), wk = 0.0023148 k( 80) = ( -0.0821233 0.0821233 0.5000000), wk = 0.0023148 k( 81) = ( -0.0821233 0.0821233 0.5000000), wk = 0.0023148 k( 82) = ( -0.0873467 0.0873467 0.4947765), wk = 0.0023148 k( 83) = ( -0.0925702 0.0925702 0.4895531), wk = 0.0023148 k( 84) = ( -0.0977937 0.0977937 0.4843296), wk = 0.0023148 k( 85) = ( -0.1030171 0.1030171 0.4791062), wk = 0.0023148 k( 86) = ( -0.1082406 0.1082406 0.4738827), wk = 0.0023148 k( 87) = ( -0.1134640 0.1134640 0.4686593), wk = 0.0023148 k( 88) = ( -0.1186875 0.1186875 0.4634358), wk = 0.0023148 k( 89) = ( -0.1239110 0.1239110 0.4582123), wk = 0.0023148 k( 90) = ( -0.1291344 0.1291344 0.4529889), wk = 0.0023148 k( 91) = ( -0.1343579 0.1343579 0.4477654), wk = 0.0023148 k( 92) = ( -0.1395813 0.1395813 0.4425419), wk = 0.0023148 k( 93) = ( -0.1448048 0.1448048 0.4373185), wk = 0.0023148 k( 94) = ( -0.1500283 0.1500283 0.4320950), wk = 0.0023148 k( 95) = ( -0.1552517 0.1552517 0.4268716), wk = 0.0023148 k( 96) = ( -0.1604752 0.1604752 0.4216481), wk = 0.0023148 k( 97) = ( -0.1656986 0.1656986 0.4164247), wk = 0.0023148 k( 98) = ( -0.1709221 0.1709221 0.4112012), wk = 0.0023148 k( 99) = ( -0.1761455 0.1761455 0.4059777), wk = 0.0023148 k( 100) = ( -0.1813690 0.1813690 0.4007543), wk = 0.0023148 k( 101) = ( -0.1865925 0.1865925 0.3955308), wk = 0.0023148 k( 102) = ( -0.1918159 0.1918159 0.3903074), wk = 0.0023148 k( 103) = ( -0.1970394 0.1970394 0.3850839), wk = 0.0023148 k( 104) = ( -0.2022628 0.2022628 0.3798604), wk = 0.0023148 k( 105) = ( -0.2074863 0.2074863 0.3746370), wk = 0.0023148 k( 106) = ( -0.2127098 0.2127098 0.3694135), wk = 0.0023148 k( 107) = ( -0.2179332 0.2179332 0.3641901), wk = 0.0023148 k( 108) = ( -0.2231567 0.2231567 0.3589666), wk = 0.0023148 k( 109) = ( -0.2283801 0.2283801 0.3537432), wk = 0.0023148 k( 110) = ( -0.2336036 0.2336036 0.3485197), wk = 0.0023148 k( 111) = ( -0.2388271 0.2388270 0.3432962), wk = 0.0023148 k( 112) = ( -0.2440505 0.2440505 0.3380728), wk = 0.0023148 k( 113) = ( -0.2492740 0.2492740 0.3328493), wk = 0.0023148 k( 114) = ( -0.2544974 0.2544974 0.3276258), wk = 0.0023148 k( 115) = ( -0.2597209 0.2597209 0.3224024), wk = 0.0023148 k( 116) = ( -0.2649443 0.2649443 0.3171789), wk = 0.0023148 k( 117) = ( -0.2701678 0.2701678 0.3119555), wk = 0.0023148 k( 118) = ( -0.2753913 0.2753913 0.3067320), wk = 0.0023148 k( 119) = ( -0.2806147 0.2806147 0.3015086), wk = 0.0023148 k( 120) = ( -0.2858382 0.2858382 0.2962851), wk = 0.0023148 k( 121) = ( -0.2910616 0.2910616 0.2910616), wk = 0.0023148 k( 122) = ( -0.2910616 0.2910616 0.2910616), wk = 0.0023148 k( 123) = ( -0.2858641 0.2858641 0.2858641), wk = 0.0023148 k( 124) = ( -0.2806666 0.2806666 0.2806666), wk = 0.0023148 k( 125) = ( -0.2754690 0.2754690 0.2754690), wk = 0.0023148 k( 126) = ( -0.2702715 0.2702715 0.2702715), wk = 0.0023148 k( 127) = ( -0.2650740 0.2650740 0.2650740), wk = 0.0023148 k( 128) = ( -0.2598765 0.2598765 0.2598765), wk = 0.0023148 k( 129) = ( -0.2546789 0.2546789 0.2546789), wk = 0.0023148 k( 130) = ( -0.2494814 0.2494814 0.2494814), wk = 0.0023148 k( 131) = ( -0.2442839 0.2442839 0.2442839), wk = 0.0023148 k( 132) = ( -0.2390864 0.2390863 0.2390864), wk = 0.0023148 k( 133) = ( -0.2338888 0.2338888 0.2338888), wk = 0.0023148 k( 134) = ( -0.2286913 0.2286913 0.2286913), wk = 0.0023148 k( 135) = ( -0.2234938 0.2234938 0.2234938), wk = 0.0023148 k( 136) = ( -0.2182962 0.2182962 0.2182962), wk = 0.0023148 k( 137) = ( -0.2130987 0.2130987 0.2130987), wk = 0.0023148 k( 138) = ( -0.2079012 0.2079012 0.2079012), wk = 0.0023148 k( 139) = ( -0.2027036 0.2027036 0.2027036), wk = 0.0023148 k( 140) = ( -0.1975061 0.1975061 0.1975061), wk = 0.0023148 k( 141) = ( -0.1923086 0.1923086 0.1923086), wk = 0.0023148 k( 142) = ( -0.1871111 0.1871110 0.1871110), wk = 0.0023148 k( 143) = ( -0.1819135 0.1819135 0.1819135), wk = 0.0023148 k( 144) = ( -0.1767160 0.1767160 0.1767160), wk = 0.0023148 k( 145) = ( -0.1715185 0.1715185 0.1715185), wk = 0.0023148 k( 146) = ( -0.1663209 0.1663209 0.1663209), wk = 0.0023148 k( 147) = ( -0.1611234 0.1611234 0.1611234), wk = 0.0023148 k( 148) = ( -0.1559259 0.1559259 0.1559259), wk = 0.0023148 k( 149) = ( -0.1507284 0.1507284 0.1507284), wk = 0.0023148 k( 150) = ( -0.1455308 0.1455308 0.1455308), wk = 0.0023148 k( 151) = ( -0.1403333 0.1403333 0.1403333), wk = 0.0023148 k( 152) = ( -0.1351358 0.1351358 0.1351358), wk = 0.0023148 k( 153) = ( -0.1299382 0.1299382 0.1299382), wk = 0.0023148 k( 154) = ( -0.1247407 0.1247407 0.1247407), wk = 0.0023148 k( 155) = ( -0.1195432 0.1195432 0.1195432), wk = 0.0023148 k( 156) = ( -0.1143456 0.1143456 0.1143456), wk = 0.0023148 k( 157) = ( -0.1091481 0.1091481 0.1091481), wk = 0.0023148 k( 158) = ( -0.1039506 0.1039506 0.1039506), wk = 0.0023148 k( 159) = ( -0.0987531 0.0987531 0.0987531), wk = 0.0023148 k( 160) = ( -0.0935555 0.0935555 0.0935555), wk = 0.0023148 k( 161) = ( -0.0883580 0.0883580 0.0883580), wk = 0.0023148 k( 162) = ( -0.0831605 0.0831605 0.0831605), wk = 0.0023148 k( 163) = ( -0.0779629 0.0779629 0.0779629), wk = 0.0023148 k( 164) = ( -0.0727654 0.0727654 0.0727654), wk = 0.0023148 k( 165) = ( -0.0675679 0.0675679 0.0675679), wk = 0.0023148 k( 166) = ( -0.0623703 0.0623704 0.0623703), wk = 0.0023148 k( 167) = ( -0.0571728 0.0571728 0.0571728), wk = 0.0023148 k( 168) = ( -0.0519753 0.0519753 0.0519753), wk = 0.0023148 k( 169) = ( -0.0467778 0.0467778 0.0467778), wk = 0.0023148 k( 170) = ( -0.0415802 0.0415802 0.0415802), wk = 0.0023148 k( 171) = ( -0.0363827 0.0363827 0.0363827), wk = 0.0023148 k( 172) = ( -0.0311852 0.0311852 0.0311852), wk = 0.0023148 k( 173) = ( -0.0259877 0.0259876 0.0259877), wk = 0.0023148 k( 174) = ( -0.0207901 0.0207901 0.0207901), wk = 0.0023148 k( 175) = ( -0.0155926 0.0155926 0.0155926), wk = 0.0023148 k( 176) = ( -0.0103951 0.0103951 0.0103951), wk = 0.0023148 k( 177) = ( -0.0051975 0.0051975 0.0051975), wk = 0.0023148 k( 178) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148 k( 179) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148 k( 180) = ( 0.0128205 0.0128205 -0.0128205), wk = 0.0023148 k( 181) = ( 0.0256410 0.0256410 -0.0256410), wk = 0.0023148 k( 182) = ( 0.0384615 0.0384615 -0.0384615), wk = 0.0023148 k( 183) = ( 0.0512821 0.0512821 -0.0512821), wk = 0.0023148 k( 184) = ( 0.0641026 0.0641026 -0.0641026), wk = 0.0023148 k( 185) = ( 0.0769231 0.0769231 -0.0769231), wk = 0.0023148 k( 186) = ( 0.0897436 0.0897436 -0.0897436), wk = 0.0023148 k( 187) = ( 0.1025641 0.1025641 -0.1025641), wk = 0.0023148 k( 188) = ( 0.1153846 0.1153846 -0.1153846), wk = 0.0023148 k( 189) = ( 0.1282051 0.1282051 -0.1282051), wk = 0.0023148 k( 190) = ( 0.1410256 0.1410256 -0.1410256), wk = 0.0023148 k( 191) = ( 0.1538461 0.1538461 -0.1538461), wk = 0.0023148 k( 192) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0023148 k( 193) = ( 0.1794872 0.1794872 -0.1794872), wk = 0.0023148 k( 194) = ( 0.1923077 0.1923077 -0.1923077), wk = 0.0023148 k( 195) = ( 0.2051282 0.2051282 -0.2051282), wk = 0.0023148 k( 196) = ( 0.2179487 0.2179487 -0.2179487), wk = 0.0023148 k( 197) = ( 0.2307692 0.2307692 -0.2307692), wk = 0.0023148 k( 198) = ( 0.2435897 0.2435897 -0.2435897), wk = 0.0023148 k( 199) = ( 0.2564103 0.2564103 -0.2564103), wk = 0.0023148 k( 200) = ( 0.2692308 0.2692308 -0.2692308), wk = 0.0023148 k( 201) = ( 0.2820513 0.2820513 -0.2820513), wk = 0.0023148 k( 202) = ( 0.2948718 0.2948718 -0.2948718), wk = 0.0023148 k( 203) = ( 0.3076923 0.3076923 -0.3076923), wk = 0.0023148 k( 204) = ( 0.3205128 0.3205128 -0.3205128), wk = 0.0023148 k( 205) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0023148 k( 206) = ( 0.3461538 0.3461538 -0.3461538), wk = 0.0023148 k( 207) = ( 0.3589744 0.3589744 -0.3589744), wk = 0.0023148 k( 208) = ( 0.3717949 0.3717949 -0.3717949), wk = 0.0023148 k( 209) = ( 0.3846154 0.3846154 -0.3846154), wk = 0.0023148 k( 210) = ( 0.3974359 0.3974359 -0.3974359), wk = 0.0023148 k( 211) = ( 0.4102564 0.4102564 -0.4102564), wk = 0.0023148 k( 212) = ( 0.4230769 0.4230769 -0.4230769), wk = 0.0023148 k( 213) = ( 0.4358974 0.4358974 -0.4358974), wk = 0.0023148 k( 214) = ( 0.4487179 0.4487179 -0.4487179), wk = 0.0023148 k( 215) = ( 0.4615385 0.4615385 -0.4615385), wk = 0.0023148 k( 216) = ( 0.4743590 0.4743590 -0.4743590), wk = 0.0023148 k( 217) = ( 0.4871795 0.4871795 -0.4871795), wk = 0.0023148 k( 218) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0023148 k( 219) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0023148 k( 220) = ( 0.4947765 0.5052235 -0.4947765), wk = 0.0023148 k( 221) = ( 0.4895531 0.5104469 -0.4895531), wk = 0.0023148 k( 222) = ( 0.4843296 0.5156704 -0.4843296), wk = 0.0023148 k( 223) = ( 0.4791062 0.5208938 -0.4791062), wk = 0.0023148 k( 224) = ( 0.4738827 0.5261173 -0.4738827), wk = 0.0023148 k( 225) = ( 0.4686593 0.5313408 -0.4686593), wk = 0.0023148 k( 226) = ( 0.4634358 0.5365642 -0.4634358), wk = 0.0023148 k( 227) = ( 0.4582123 0.5417877 -0.4582123), wk = 0.0023148 k( 228) = ( 0.4529889 0.5470111 -0.4529889), wk = 0.0023148 k( 229) = ( 0.4477654 0.5522346 -0.4477654), wk = 0.0023148 k( 230) = ( 0.4425420 0.5574581 -0.4425420), wk = 0.0023148 k( 231) = ( 0.4373185 0.5626815 -0.4373185), wk = 0.0023148 k( 232) = ( 0.4320950 0.5679050 -0.4320950), wk = 0.0023148 k( 233) = ( 0.4268716 0.5731284 -0.4268716), wk = 0.0023148 k( 234) = ( 0.4216481 0.5783519 -0.4216481), wk = 0.0023148 k( 235) = ( 0.4164247 0.5835753 -0.4164247), wk = 0.0023148 k( 236) = ( 0.4112012 0.5887988 -0.4112012), wk = 0.0023148 k( 237) = ( 0.4059777 0.5940223 -0.4059777), wk = 0.0023148 k( 238) = ( 0.4007543 0.5992457 -0.4007543), wk = 0.0023148 k( 239) = ( 0.3955308 0.6044692 -0.3955308), wk = 0.0023148 k( 240) = ( 0.3903074 0.6096926 -0.3903074), wk = 0.0023148 k( 241) = ( 0.3850839 0.6149161 -0.3850839), wk = 0.0023148 k( 242) = ( 0.3798604 0.6201396 -0.3798604), wk = 0.0023148 k( 243) = ( 0.3746370 0.6253630 -0.3746370), wk = 0.0023148 k( 244) = ( 0.3694135 0.6305865 -0.3694135), wk = 0.0023148 k( 245) = ( 0.3641901 0.6358099 -0.3641901), wk = 0.0023148 k( 246) = ( 0.3589666 0.6410334 -0.3589666), wk = 0.0023148 k( 247) = ( 0.3537432 0.6462568 -0.3537432), wk = 0.0023148 k( 248) = ( 0.3485197 0.6514803 -0.3485197), wk = 0.0023148 k( 249) = ( 0.3432962 0.6567038 -0.3432962), wk = 0.0023148 k( 250) = ( 0.3380728 0.6619272 -0.3380728), wk = 0.0023148 k( 251) = ( 0.3328493 0.6671507 -0.3328493), wk = 0.0023148 k( 252) = ( 0.3276258 0.6723742 -0.3276258), wk = 0.0023148 k( 253) = ( 0.3224024 0.6775976 -0.3224024), wk = 0.0023148 k( 254) = ( 0.3171789 0.6828211 -0.3171789), wk = 0.0023148 k( 255) = ( 0.3119555 0.6880445 -0.3119555), wk = 0.0023148 k( 256) = ( 0.3067320 0.6932680 -0.3067320), wk = 0.0023148 k( 257) = ( 0.3015086 0.6984914 -0.3015086), wk = 0.0023148 k( 258) = ( 0.2962851 0.7037149 -0.2962851), wk = 0.0023148 k( 259) = ( 0.2910616 0.7089384 -0.2910616), wk = 0.0023148 k( 260) = ( 0.2910616 0.7089384 -0.2910616), wk = 0.0023148 k( 261) = ( 0.2772016 0.6989889 -0.2772016), wk = 0.0023148 k( 262) = ( 0.2633415 0.6890395 -0.2633415), wk = 0.0023148 k( 263) = ( 0.2494814 0.6790900 -0.2494814), wk = 0.0023148 k( 264) = ( 0.2356213 0.6691406 -0.2356213), wk = 0.0023148 k( 265) = ( 0.2217612 0.6591911 -0.2217613), wk = 0.0023148 k( 266) = ( 0.2079012 0.6492417 -0.2079012), wk = 0.0023148 k( 267) = ( 0.1940411 0.6392922 -0.1940411), wk = 0.0023148 k( 268) = ( 0.1801810 0.6293428 -0.1801810), wk = 0.0023148 k( 269) = ( 0.1663209 0.6193933 -0.1663209), wk = 0.0023148 k( 270) = ( 0.1524609 0.6094439 -0.1524609), wk = 0.0023148 k( 271) = ( 0.1386008 0.5994945 -0.1386008), wk = 0.0023148 k( 272) = ( 0.1247407 0.5895450 -0.1247407), wk = 0.0023148 k( 273) = ( 0.1108806 0.5795956 -0.1108806), wk = 0.0023148 k( 274) = ( 0.0970205 0.5696461 -0.0970206), wk = 0.0023148 k( 275) = ( 0.0831605 0.5596967 -0.0831605), wk = 0.0023148 k( 276) = ( 0.0693004 0.5497472 -0.0693004), wk = 0.0023148 k( 277) = ( 0.0554403 0.5397978 -0.0554403), wk = 0.0023148 k( 278) = ( 0.0415802 0.5298483 -0.0415802), wk = 0.0023148 k( 279) = ( 0.0277202 0.5198989 -0.0277202), wk = 0.0023148 k( 280) = ( 0.0138601 0.5099495 -0.0138601), wk = 0.0023148 k( 281) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023148 k( 282) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023148 k( 283) = ( 0.0052083 0.4947917 0.0052083), wk = 0.0023148 k( 284) = ( 0.0104167 0.4895833 0.0104167), wk = 0.0023148 k( 285) = ( 0.0156250 0.4843750 0.0156250), wk = 0.0023148 k( 286) = ( 0.0208333 0.4791667 0.0208333), wk = 0.0023148 k( 287) = ( 0.0260417 0.4739583 0.0260417), wk = 0.0023148 k( 288) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0023148 k( 289) = ( 0.0364583 0.4635417 0.0364583), wk = 0.0023148 k( 290) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0023148 k( 291) = ( 0.0468750 0.4531250 0.0468750), wk = 0.0023148 k( 292) = ( 0.0520833 0.4479167 0.0520833), wk = 0.0023148 k( 293) = ( 0.0572917 0.4427083 0.0572917), wk = 0.0023148 k( 294) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0023148 k( 295) = ( 0.0677083 0.4322917 0.0677083), wk = 0.0023148 k( 296) = ( 0.0729167 0.4270833 0.0729167), wk = 0.0023148 k( 297) = ( 0.0781250 0.4218750 0.0781250), wk = 0.0023148 k( 298) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0023148 k( 299) = ( 0.0885417 0.4114583 0.0885417), wk = 0.0023148 k( 300) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0023148 k( 301) = ( 0.0989583 0.4010417 0.0989583), wk = 0.0023148 k( 302) = ( 0.1041667 0.3958333 0.1041667), wk = 0.0023148 k( 303) = ( 0.1093750 0.3906250 0.1093750), wk = 0.0023148 k( 304) = ( 0.1145833 0.3854167 0.1145833), wk = 0.0023148 k( 305) = ( 0.1197917 0.3802083 0.1197917), wk = 0.0023148 k( 306) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0023148 k( 307) = ( 0.1302083 0.3697917 0.1302083), wk = 0.0023148 k( 308) = ( 0.1354167 0.3645833 0.1354167), wk = 0.0023148 k( 309) = ( 0.1406250 0.3593750 0.1406250), wk = 0.0023148 k( 310) = ( 0.1458333 0.3541667 0.1458333), wk = 0.0023148 k( 311) = ( 0.1510417 0.3489583 0.1510417), wk = 0.0023148 k( 312) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0023148 k( 313) = ( 0.1614583 0.3385417 0.1614583), wk = 0.0023148 k( 314) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0023148 k( 315) = ( 0.1718750 0.3281250 0.1718750), wk = 0.0023148 k( 316) = ( 0.1770833 0.3229167 0.1770833), wk = 0.0023148 k( 317) = ( 0.1822917 0.3177083 0.1822917), wk = 0.0023148 k( 318) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0023148 k( 319) = ( 0.1927083 0.3072917 0.1927083), wk = 0.0023148 k( 320) = ( 0.1979167 0.3020833 0.1979167), wk = 0.0023148 k( 321) = ( 0.2031250 0.2968750 0.2031250), wk = 0.0023148 k( 322) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0023148 k( 323) = ( 0.2135417 0.2864583 0.2135417), wk = 0.0023148 k( 324) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0023148 k( 325) = ( 0.2239583 0.2760417 0.2239583), wk = 0.0023148 k( 326) = ( 0.2291667 0.2708333 0.2291667), wk = 0.0023148 k( 327) = ( 0.2343750 0.2656250 0.2343750), wk = 0.0023148 k( 328) = ( 0.2395833 0.2604167 0.2395833), wk = 0.0023148 k( 329) = ( 0.2447917 0.2552083 0.2447917), wk = 0.0023148 k( 330) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0023148 k( 331) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0023148 k( 332) = ( 0.2608696 0.2608696 0.2355599), wk = 0.0023148 k( 333) = ( 0.2717391 0.2717391 0.2211197), wk = 0.0023148 k( 334) = ( 0.2826087 0.2826087 0.2066796), wk = 0.0023148 k( 335) = ( 0.2934783 0.2934783 0.1922394), wk = 0.0023148 k( 336) = ( 0.3043478 0.3043478 0.1777993), wk = 0.0023148 k( 337) = ( 0.3152174 0.3152174 0.1633591), wk = 0.0023148 k( 338) = ( 0.3260870 0.3260870 0.1489190), wk = 0.0023148 k( 339) = ( 0.3369565 0.3369565 0.1344789), wk = 0.0023148 k( 340) = ( 0.3478261 0.3478261 0.1200387), wk = 0.0023148 k( 341) = ( 0.3586956 0.3586956 0.1055986), wk = 0.0023148 k( 342) = ( 0.3695652 0.3695652 0.0911584), wk = 0.0023148 k( 343) = ( 0.3804348 0.3804348 0.0767183), wk = 0.0023148 k( 344) = ( 0.3913044 0.3913043 0.0622781), wk = 0.0023148 k( 345) = ( 0.4021739 0.4021739 0.0478380), wk = 0.0023148 k( 346) = ( 0.4130435 0.4130435 0.0333979), wk = 0.0023148 k( 347) = ( 0.4239130 0.4239130 0.0189577), wk = 0.0023148 k( 348) = ( 0.4347826 0.4347826 0.0045176), wk = 0.0023148 k( 349) = ( 0.4456522 0.4456522 -0.0099226), wk = 0.0023148 k( 350) = ( 0.4565217 0.4565217 -0.0243627), wk = 0.0023148 k( 351) = ( 0.4673913 0.4673913 -0.0388029), wk = 0.0023148 k( 352) = ( 0.4782609 0.4782609 -0.0532430), wk = 0.0023148 k( 353) = ( 0.4891304 0.4891304 -0.0676831), wk = 0.0023148 k( 354) = ( 0.5000000 0.5000000 -0.0821233), wk = 0.0023148 k( 355) = ( 0.5000000 0.5000000 -0.0821233), wk = 0.0023148 k( 356) = ( 0.5000000 0.5000000 -0.0895854), wk = 0.0023148 k( 357) = ( 0.5000000 0.5000000 -0.0970475), wk = 0.0023148 k( 358) = ( 0.5000000 0.5000000 -0.1045095), wk = 0.0023148 k( 359) = ( 0.5000000 0.5000000 -0.1119716), wk = 0.0023148 k( 360) = ( 0.5000000 0.5000000 -0.1194337), wk = 0.0023148 k( 361) = ( 0.5000000 0.5000000 -0.1268958), wk = 0.0023148 k( 362) = ( 0.5000000 0.5000000 -0.1343579), wk = 0.0023148 k( 363) = ( 0.5000000 0.5000000 -0.1418200), wk = 0.0023148 k( 364) = ( 0.5000000 0.5000000 -0.1492820), wk = 0.0023148 k( 365) = ( 0.5000000 0.5000000 -0.1567441), wk = 0.0023148 k( 366) = ( 0.5000000 0.5000000 -0.1642062), wk = 0.0023148 k( 367) = ( 0.5000000 0.5000000 -0.1716683), wk = 0.0023148 k( 368) = ( 0.5000000 0.5000000 -0.1791304), wk = 0.0023148 k( 369) = ( 0.5000000 0.5000000 -0.1865925), wk = 0.0023148 k( 370) = ( 0.5000000 0.5000000 -0.1940545), wk = 0.0023148 k( 371) = ( 0.5000000 0.5000000 -0.2015166), wk = 0.0023148 k( 372) = ( 0.5000000 0.5000000 -0.2089787), wk = 0.0023148 k( 373) = ( 0.5000000 0.5000000 -0.2164408), wk = 0.0023148 k( 374) = ( 0.5000000 0.5000000 -0.2239029), wk = 0.0023148 k( 375) = ( 0.5000000 0.5000000 -0.2313650), wk = 0.0023148 k( 376) = ( 0.5000000 0.5000000 -0.2388271), wk = 0.0023148 k( 377) = ( 0.5000000 0.5000000 -0.2462891), wk = 0.0023148 k( 378) = ( 0.5000000 0.5000000 -0.2537512), wk = 0.0023148 k( 379) = ( 0.5000000 0.5000000 -0.2612133), wk = 0.0023148 k( 380) = ( 0.5000000 0.5000000 -0.2686754), wk = 0.0023148 k( 381) = ( 0.5000000 0.5000000 -0.2761375), wk = 0.0023148 k( 382) = ( 0.5000000 0.5000000 -0.2835996), wk = 0.0023148 k( 383) = ( 0.5000000 0.5000000 -0.2910616), wk = 0.0023148 k( 384) = ( 0.5000000 0.5000000 -0.2985237), wk = 0.0023148 k( 385) = ( 0.5000000 0.5000000 -0.3059858), wk = 0.0023148 k( 386) = ( 0.5000000 0.5000000 -0.3134479), wk = 0.0023148 k( 387) = ( 0.5000000 0.5000000 -0.3209100), wk = 0.0023148 k( 388) = ( 0.5000000 0.5000000 -0.3283721), wk = 0.0023148 k( 389) = ( 0.5000000 0.5000000 -0.3358341), wk = 0.0023148 k( 390) = ( 0.5000000 0.5000000 -0.3432962), wk = 0.0023148 k( 391) = ( 0.5000000 0.5000000 -0.3507583), wk = 0.0023148 k( 392) = ( 0.5000000 0.5000000 -0.3582204), wk = 0.0023148 k( 393) = ( 0.5000000 0.5000000 -0.3656825), wk = 0.0023148 k( 394) = ( 0.5000000 0.5000000 -0.3731446), wk = 0.0023148 k( 395) = ( 0.5000000 0.5000000 -0.3806066), wk = 0.0023148 k( 396) = ( 0.5000000 0.5000000 -0.3880687), wk = 0.0023148 k( 397) = ( 0.5000000 0.5000000 -0.3955308), wk = 0.0023148 k( 398) = ( 0.5000000 0.5000000 -0.4029929), wk = 0.0023148 k( 399) = ( 0.5000000 0.5000000 -0.4104550), wk = 0.0023148 k( 400) = ( 0.5000000 0.5000000 -0.4179171), wk = 0.0023148 k( 401) = ( 0.5000000 0.5000000 -0.4253792), wk = 0.0023148 k( 402) = ( 0.5000000 0.5000000 -0.4328412), wk = 0.0023148 k( 403) = ( 0.5000000 0.5000000 -0.4403033), wk = 0.0023148 k( 404) = ( 0.5000000 0.5000000 -0.4477654), wk = 0.0023148 k( 405) = ( 0.5000000 0.5000000 -0.4552275), wk = 0.0023148 k( 406) = ( 0.5000000 0.5000000 -0.4626896), wk = 0.0023148 k( 407) = ( 0.5000000 0.5000000 -0.4701517), wk = 0.0023148 k( 408) = ( 0.5000000 0.5000000 -0.4776138), wk = 0.0023148 k( 409) = ( 0.5000000 0.5000000 -0.4850758), wk = 0.0023148 k( 410) = ( 0.5000000 0.5000000 -0.4925379), wk = 0.0023148 k( 411) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0023148 k( 412) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023148 k( 413) = ( 0.0125000 0.0125000 0.4875000), wk = 0.0023148 k( 414) = ( 0.0250000 0.0250000 0.4750000), wk = 0.0023148 k( 415) = ( 0.0375000 0.0375000 0.4625000), wk = 0.0023148 k( 416) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0023148 k( 417) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0023148 k( 418) = ( 0.0750000 0.0750000 0.4250000), wk = 0.0023148 k( 419) = ( 0.0875000 0.0875000 0.4125000), wk = 0.0023148 k( 420) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0023148 k( 421) = ( 0.1125000 0.1125000 0.3875000), wk = 0.0023148 k( 422) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0023148 k( 423) = ( 0.1375000 0.1375000 0.3625000), wk = 0.0023148 k( 424) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0023148 k( 425) = ( 0.1625000 0.1625000 0.3375000), wk = 0.0023148 k( 426) = ( 0.1750000 0.1750000 0.3250000), wk = 0.0023148 k( 427) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0023148 k( 428) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0023148 k( 429) = ( 0.2125000 0.2125000 0.2875000), wk = 0.0023148 k( 430) = ( 0.2250000 0.2250000 0.2750000), wk = 0.0023148 k( 431) = ( 0.2375000 0.2375000 0.2625000), wk = 0.0023148 k( 432) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0023148 Dense grid: 37327 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 17217 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 128, 30) NL pseudopotentials 0.06 Mb ( 64, 62) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1038) G-vector shells 0.00 Mb ( 485) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.23 Mb ( 128, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.06 Mb ( 62, 2, 30) The potential is recalculated from file : ./Ge2W.save/charge-density.dat Starting wfc are 42 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.0 secs Computing kpt #: 4 total cpu time spent up to now is 3.2 secs Computing kpt #: 5 total cpu time spent up to now is 3.4 secs Computing kpt #: 6 total cpu time spent up to now is 3.7 secs Computing kpt #: 7 total cpu time spent up to now is 3.9 secs Computing kpt #: 8 total cpu time spent up to now is 4.1 secs Computing kpt #: 9 total cpu time spent up to now is 4.3 secs Computing kpt #: 10 total cpu time spent up to now is 4.5 secs Computing kpt #: 11 total cpu time spent up to now is 4.7 secs Computing kpt #: 12 total cpu time spent up to now is 5.0 secs Computing kpt #: 13 total cpu time spent up to now is 5.2 secs Computing kpt #: 14 total cpu time spent up to now is 5.4 secs Computing kpt #: 15 total cpu time spent up to now is 5.6 secs Computing kpt #: 16 total cpu time spent up to now is 5.8 secs Computing kpt #: 17 total cpu time spent up to now is 6.0 secs Computing kpt #: 18 total cpu time spent up to now is 6.3 secs Computing kpt #: 19 total cpu time spent up to now is 6.5 secs Computing kpt #: 20 total cpu time spent up to now is 6.7 secs Computing kpt #: 21 total cpu time spent up to now is 6.9 secs Computing kpt #: 22 total cpu time spent up to now is 7.1 secs Computing kpt #: 23 total cpu time spent up to now is 7.3 secs Computing kpt #: 24 total cpu time spent up to now is 7.5 secs Computing kpt #: 25 total cpu time spent up to now is 7.7 secs Computing kpt #: 26 total cpu time spent up to now is 7.9 secs Computing kpt #: 27 total cpu time spent up to now is 8.1 secs Computing kpt #: 28 total cpu time spent up to now is 8.3 secs Computing kpt #: 29 total cpu time spent up to now is 8.6 secs Computing kpt #: 30 total cpu time spent up to now is 10.5 secs Computing kpt #: 31 total cpu time spent up to now is 10.7 secs Computing kpt #: 32 total cpu time spent up to now is 10.9 secs Computing kpt #: 33 total cpu time spent up to now is 11.2 secs Computing kpt #: 34 total cpu time spent up to now is 11.4 secs Computing kpt #: 35 total cpu time spent up to now is 11.6 secs Computing kpt #: 36 total cpu time spent up to now is 11.8 secs Computing kpt #: 37 total cpu time spent up to now is 12.0 secs Computing kpt #: 38 total cpu time spent up to now is 12.2 secs Computing kpt #: 39 total cpu time spent up to now is 12.4 secs Computing kpt #: 40 total cpu time spent up to now is 12.7 secs Computing kpt #: 41 total cpu time spent up to now is 12.9 secs Computing kpt #: 42 total cpu time spent up to now is 13.1 secs Computing kpt #: 43 total cpu time spent up to now is 13.3 secs Computing kpt #: 44 total cpu time spent up to now is 13.5 secs Computing kpt #: 45 total cpu time spent up to now is 13.8 secs Computing kpt #: 46 total cpu time spent up to now is 14.0 secs Computing kpt #: 47 total cpu time spent up to now is 14.2 secs Computing kpt #: 48 total cpu time spent up to now is 14.5 secs Computing kpt #: 49 total cpu time spent up to now is 14.7 secs Computing kpt #: 50 total cpu time spent up to now is 14.9 secs Computing kpt #: 51 total cpu time spent up to now is 15.1 secs Computing kpt #: 52 total cpu time spent up to now is 15.3 secs Computing kpt #: 53 total cpu time spent up to now is 15.6 secs Computing kpt #: 54 total cpu time spent up to now is 15.8 secs Computing kpt #: 55 total cpu time spent up to now is 16.0 secs Computing kpt #: 56 total cpu time spent up to now is 16.2 secs Computing kpt #: 57 total cpu time spent up to now is 16.5 secs Computing kpt #: 58 total cpu time spent up to now is 16.7 secs Computing kpt #: 59 total cpu time spent up to now is 16.9 secs Computing kpt #: 60 total cpu time spent up to now is 17.1 secs Computing kpt #: 61 total cpu time spent up to now is 17.4 secs Computing kpt #: 62 total cpu time spent up to now is 17.6 secs Computing kpt #: 63 total cpu time spent up to now is 17.8 secs Computing kpt #: 64 total cpu time spent up to now is 18.0 secs Computing kpt #: 65 total cpu time spent up to now is 18.2 secs Computing kpt #: 66 total cpu time spent up to now is 18.4 secs Computing kpt #: 67 total cpu time spent up to now is 18.6 secs Computing kpt #: 68 total cpu time spent up to now is 18.8 secs Computing kpt #: 69 total cpu time spent up to now is 19.0 secs Computing kpt #: 70 total cpu time spent up to now is 19.2 secs Computing kpt #: 71 total cpu time spent up to now is 19.4 secs Computing kpt #: 72 total cpu time spent up to now is 19.7 secs Computing kpt #: 73 total cpu time spent up to now is 19.9 secs Computing kpt #: 74 total cpu time spent up to now is 20.1 secs Computing kpt #: 75 total cpu time spent up to now is 20.3 secs Computing kpt #: 76 total cpu time spent up to now is 20.5 secs Computing kpt #: 77 total cpu time spent up to now is 20.7 secs Computing kpt #: 78 total cpu time spent up to now is 20.9 secs Computing kpt #: 79 total cpu time spent up to now is 21.1 secs Computing kpt #: 80 total cpu time spent up to now is 21.3 secs Computing kpt #: 81 total cpu time spent up to now is 21.5 secs Computing kpt #: 82 total cpu time spent up to now is 21.7 secs Computing kpt #: 83 total cpu time spent up to now is 21.9 secs Computing kpt #: 84 total cpu time spent up to now is 22.1 secs Computing kpt #: 85 total cpu time spent up to now is 22.3 secs Computing kpt #: 86 total cpu time spent up to now is 22.6 secs Computing kpt #: 87 total cpu time spent up to now is 22.8 secs Computing kpt #: 88 total cpu time spent up to now is 23.0 secs Computing kpt #: 89 total cpu time spent up to now is 23.2 secs Computing kpt #: 90 total cpu time spent up to now is 23.4 secs Computing kpt #: 91 total cpu time spent up to now is 23.6 secs Computing kpt #: 92 total cpu time spent up to now is 23.9 secs Computing kpt #: 93 total cpu time spent up to now is 24.1 secs Computing kpt #: 94 total cpu time spent up to now is 24.3 secs Computing kpt #: 95 total cpu time spent up to now is 24.5 secs Computing kpt #: 96 total cpu time spent up to now is 24.7 secs Computing kpt #: 97 total cpu time spent up to now is 24.9 secs Computing kpt #: 98 total cpu time spent up to now is 25.1 secs Computing kpt #: 99 total cpu time spent up to now is 25.3 secs Computing kpt #: 100 total cpu time spent up to now is 25.4 secs Computing kpt #: 101 total cpu time spent up to now is 25.6 secs Computing kpt #: 102 total cpu time spent up to now is 25.8 secs Computing kpt #: 103 total cpu time spent up to now is 26.0 secs Computing kpt #: 104 total cpu time spent up to now is 26.2 secs Computing kpt #: 105 total cpu time spent up to now is 26.4 secs Computing kpt #: 106 total cpu time spent up to now is 26.6 secs Computing kpt #: 107 total cpu time spent up to now is 26.7 secs Computing kpt #: 108 total cpu time spent up to now is 26.9 secs Computing kpt #: 109 total cpu time spent up to now is 27.1 secs Computing kpt #: 110 total cpu time spent up to now is 27.3 secs Computing kpt #: 111 total cpu time spent up to now is 27.5 secs Computing kpt #: 112 total cpu time spent up to now is 27.7 secs Computing kpt #: 113 total cpu time spent up to now is 27.9 secs Computing kpt #: 114 total cpu time spent up to now is 28.1 secs Computing kpt #: 115 total cpu time spent up to now is 28.2 secs Computing kpt #: 116 total cpu time spent up to now is 28.5 secs Computing kpt #: 117 total cpu time spent up to now is 28.7 secs Computing kpt #: 118 total cpu time spent up to now is 28.9 secs Computing kpt #: 119 total cpu time spent up to now is 29.1 secs Computing kpt #: 120 total cpu time spent up to now is 29.3 secs Computing kpt #: 121 total cpu time spent up to now is 29.6 secs Computing kpt #: 122 total cpu time spent up to now is 29.8 secs Computing kpt #: 123 total cpu time spent up to now is 30.0 secs Computing kpt #: 124 total cpu time spent up to now is 30.2 secs Computing kpt #: 125 total cpu time spent up to now is 30.4 secs Computing kpt #: 126 total cpu time spent up to now is 30.6 secs Computing kpt #: 127 total cpu time spent up to now is 30.8 secs Computing kpt #: 128 total cpu time spent up to now is 31.0 secs Computing kpt #: 129 total cpu time spent up to now is 31.1 secs Computing kpt #: 130 total cpu time spent up to now is 31.3 secs Computing kpt #: 131 total cpu time spent up to now is 31.5 secs Computing kpt #: 132 total cpu time spent up to now is 31.7 secs Computing kpt #: 133 total cpu time spent up to now is 31.9 secs Computing kpt #: 134 total cpu time spent up to now is 32.1 secs Computing kpt #: 135 total cpu time spent up to now is 32.2 secs Computing kpt #: 136 total cpu time spent up to now is 32.4 secs Computing kpt #: 137 total cpu time spent up to now is 32.6 secs Computing kpt #: 138 total cpu time spent up to now is 32.8 secs Computing kpt #: 139 total cpu time spent up to now is 32.9 secs Computing kpt #: 140 total cpu time spent up to now is 33.1 secs Computing kpt #: 141 total cpu time spent up to now is 33.3 secs Computing kpt #: 142 total cpu time spent up to now is 33.5 secs Computing kpt #: 143 total cpu time spent up to now is 33.7 secs Computing kpt #: 144 total cpu time spent up to now is 33.8 secs Computing kpt #: 145 total cpu time spent up to now is 34.0 secs Computing kpt #: 146 total cpu time spent up to now is 34.2 secs Computing kpt #: 147 total cpu time spent up to now is 34.4 secs Computing kpt #: 148 total cpu time spent up to now is 34.6 secs Computing kpt #: 149 total cpu time spent up to now is 34.7 secs Computing kpt #: 150 total cpu time spent up to now is 34.9 secs Computing kpt #: 151 total cpu time spent up to now is 35.1 secs Computing kpt #: 152 total cpu time spent up to now is 35.3 secs Computing kpt #: 153 total cpu time spent up to now is 35.5 secs Computing kpt #: 154 total cpu time spent up to now is 35.7 secs Computing kpt #: 155 total cpu time spent up to now is 35.9 secs Computing kpt #: 156 total cpu time spent up to now is 36.1 secs Computing kpt #: 157 total cpu time spent up to now is 36.3 secs Computing kpt #: 158 total cpu time spent up to now is 36.5 secs Computing kpt #: 159 total cpu time spent up to now is 36.7 secs Computing kpt #: 160 total cpu time spent up to now is 37.0 secs Computing kpt #: 161 total cpu time spent up to now is 37.2 secs Computing kpt #: 162 total cpu time spent up to now is 37.4 secs Computing kpt #: 163 total cpu time spent up to now is 37.6 secs Computing kpt #: 164 total cpu time spent up to now is 37.9 secs Computing kpt #: 165 total cpu time spent up to now is 38.1 secs Computing kpt #: 166 total cpu time spent up to now is 38.3 secs Computing kpt #: 167 total cpu time spent up to now is 38.5 secs Computing kpt #: 168 total cpu time spent up to now is 38.8 secs Computing kpt #: 169 total cpu time spent up to now is 39.0 secs Computing kpt #: 170 total cpu time spent up to now is 39.2 secs Computing kpt #: 171 total cpu time spent up to now is 39.4 secs Computing kpt #: 172 total cpu time spent up to now is 39.6 secs Computing kpt #: 173 total cpu time spent up to now is 39.8 secs Computing kpt #: 174 total cpu time spent up to now is 40.0 secs Computing kpt #: 175 total cpu time spent up to now is 40.2 secs Computing kpt #: 176 total cpu time spent up to now is 40.4 secs Computing kpt #: 177 total cpu time spent up to now is 40.6 secs Computing kpt #: 178 total cpu time spent up to now is 40.8 secs Computing kpt #: 179 total cpu time spent up to now is 41.0 secs Computing kpt #: 180 total cpu time spent up to now is 41.1 secs Computing kpt #: 181 total cpu time spent up to now is 41.3 secs Computing kpt #: 182 total cpu time spent up to now is 41.5 secs Computing kpt #: 183 total cpu time spent up to now is 41.7 secs Computing kpt #: 184 total cpu time spent up to now is 41.9 secs Computing kpt #: 185 total cpu time spent up to now is 42.1 secs Computing kpt #: 186 total cpu time spent up to now is 42.3 secs Computing kpt #: 187 total cpu time spent up to now is 42.5 secs Computing kpt #: 188 total cpu time spent up to now is 42.7 secs Computing kpt #: 189 total cpu time spent up to now is 43.0 secs Computing kpt #: 190 total cpu time spent up to now is 43.2 secs Computing kpt #: 191 total cpu time spent up to now is 43.4 secs Computing kpt #: 192 total cpu time spent up to now is 43.7 secs Computing kpt #: 193 total cpu time spent up to now is 43.9 secs Computing kpt #: 194 total cpu time spent up to now is 44.1 secs Computing kpt #: 195 total cpu time spent up to now is 44.4 secs Computing kpt #: 196 total cpu time spent up to now is 44.7 secs Computing kpt #: 197 total cpu time spent up to now is 44.9 secs Computing kpt #: 198 total cpu time spent up to now is 45.2 secs Computing kpt #: 199 total cpu time spent up to now is 45.4 secs Computing kpt #: 200 total cpu time spent up to now is 45.6 secs Computing kpt #: 201 total cpu time spent up to now is 45.7 secs Computing kpt #: 202 total cpu time spent up to now is 45.9 secs Computing kpt #: 203 total cpu time spent up to now is 46.1 secs Computing kpt #: 204 total cpu time spent up to now is 46.3 secs Computing kpt #: 205 total cpu time spent up to now is 46.5 secs Computing kpt #: 206 total cpu time spent up to now is 46.6 secs Computing kpt #: 207 total cpu time spent up to now is 46.8 secs Computing kpt #: 208 total cpu time spent up to now is 47.0 secs Computing kpt #: 209 total cpu time spent up to now is 47.1 secs Computing kpt #: 210 total cpu time spent up to now is 47.3 secs Computing kpt #: 211 total cpu time spent up to now is 47.4 secs Computing kpt #: 212 total cpu time spent up to now is 47.6 secs Computing kpt #: 213 total cpu time spent up to now is 47.8 secs Computing kpt #: 214 total cpu time spent up to now is 47.9 secs Computing kpt #: 215 total cpu time spent up to now is 48.1 secs Computing kpt #: 216 total cpu time spent up to now is 48.2 secs Computing kpt #: 217 total cpu time spent up to now is 48.4 secs Computing kpt #: 218 total cpu time spent up to now is 48.6 secs Computing kpt #: 219 total cpu time spent up to now is 48.7 secs Computing kpt #: 220 total cpu time spent up to now is 48.9 secs Computing kpt #: 221 total cpu time spent up to now is 49.0 secs Computing kpt #: 222 total cpu time spent up to now is 49.2 secs Computing kpt #: 223 total cpu time spent up to now is 49.3 secs Computing kpt #: 224 total cpu time spent up to now is 49.5 secs Computing kpt #: 225 total cpu time spent up to now is 49.7 secs Computing kpt #: 226 total cpu time spent up to now is 49.8 secs Computing kpt #: 227 total cpu time spent up to now is 50.0 secs Computing kpt #: 228 total cpu time spent up to now is 50.2 secs Computing kpt #: 229 total cpu time spent up to now is 50.3 secs Computing kpt #: 230 total cpu time spent up to now is 50.5 secs Computing kpt #: 231 total cpu time spent up to now is 50.7 secs Computing kpt #: 232 total cpu time spent up to now is 50.8 secs Computing kpt #: 233 total cpu time spent up to now is 51.0 secs Computing kpt #: 234 total cpu time spent up to now is 51.2 secs Computing kpt #: 235 total cpu time spent up to now is 51.4 secs Computing kpt #: 236 total cpu time spent up to now is 51.6 secs Computing kpt #: 237 total cpu time spent up to now is 51.7 secs Computing kpt #: 238 total cpu time spent up to now is 51.9 secs Computing kpt #: 239 total cpu time spent up to now is 52.1 secs Computing kpt #: 240 total cpu time spent up to now is 52.4 secs Computing kpt #: 241 total cpu time spent up to now is 52.6 secs Computing kpt #: 242 total cpu time spent up to now is 52.8 secs Computing kpt #: 243 total cpu time spent up to now is 53.0 secs Computing kpt #: 244 total cpu time spent up to now is 53.3 secs Computing kpt #: 245 total cpu time spent up to now is 53.5 secs Computing kpt #: 246 total cpu time spent up to now is 53.7 secs Computing kpt #: 247 total cpu time spent up to now is 54.0 secs Computing kpt #: 248 total cpu time spent up to now is 54.2 secs Computing kpt #: 249 total cpu time spent up to now is 54.4 secs Computing kpt #: 250 total cpu time spent up to now is 54.6 secs Computing kpt #: 251 total cpu time spent up to now is 54.8 secs Computing kpt #: 252 total cpu time spent up to now is 55.0 secs Computing kpt #: 253 total cpu time spent up to now is 55.2 secs Computing kpt #: 254 total cpu time spent up to now is 55.5 secs Computing kpt #: 255 total cpu time spent up to now is 55.7 secs Computing kpt #: 256 total cpu time spent up to now is 55.9 secs Computing kpt #: 257 total cpu time spent up to now is 56.1 secs Computing kpt #: 258 total cpu time spent up to now is 56.3 secs Computing kpt #: 259 total cpu time spent up to now is 56.5 secs Computing kpt #: 260 total cpu time spent up to now is 56.8 secs Computing kpt #: 261 total cpu time spent up to now is 57.0 secs Computing kpt #: 262 total cpu time spent up to now is 57.2 secs Computing kpt #: 263 total cpu time spent up to now is 57.4 secs Computing kpt #: 264 total cpu time spent up to now is 57.6 secs Computing kpt #: 265 total cpu time spent up to now is 57.8 secs Computing kpt #: 266 total cpu time spent up to now is 58.0 secs Computing kpt #: 267 total cpu time spent up to now is 58.2 secs Computing kpt #: 268 total cpu time spent up to now is 58.4 secs Computing kpt #: 269 total cpu time spent up to now is 58.6 secs Computing kpt #: 270 total cpu time spent up to now is 58.8 secs Computing kpt #: 271 total cpu time spent up to now is 59.0 secs Computing kpt #: 272 total cpu time spent up to now is 59.2 secs Computing kpt #: 273 total cpu time spent up to now is 59.4 secs Computing kpt #: 274 total cpu time spent up to now is 59.6 secs Computing kpt #: 275 total cpu time spent up to now is 59.8 secs Computing kpt #: 276 total cpu time spent up to now is 60.0 secs Computing kpt #: 277 total cpu time spent up to now is 60.2 secs Computing kpt #: 278 total cpu time spent up to now is 60.4 secs Computing kpt #: 279 total cpu time spent up to now is 60.5 secs Computing kpt #: 280 total cpu time spent up to now is 60.7 secs Computing kpt #: 281 total cpu time spent up to now is 60.9 secs Computing kpt #: 282 total cpu time spent up to now is 61.1 secs Computing kpt #: 283 total cpu time spent up to now is 61.2 secs Computing kpt #: 284 total cpu time spent up to now is 61.4 secs Computing kpt #: 285 total cpu time spent up to now is 61.6 secs Computing kpt #: 286 total cpu time spent up to now is 61.8 secs Computing kpt #: 287 total cpu time spent up to now is 62.0 secs Computing kpt #: 288 total cpu time spent up to now is 62.2 secs Computing kpt #: 289 total cpu time spent up to now is 62.3 secs Computing kpt #: 290 total cpu time spent up to now is 62.5 secs Computing kpt #: 291 total cpu time spent up to now is 62.7 secs Computing kpt #: 292 total cpu time spent up to now is 62.9 secs Computing kpt #: 293 total cpu time spent up to now is 63.1 secs Computing kpt #: 294 total cpu time spent up to now is 63.3 secs Computing kpt #: 295 total cpu time spent up to now is 63.4 secs Computing kpt #: 296 total cpu time spent up to now is 63.6 secs Computing kpt #: 297 total cpu time spent up to now is 63.8 secs Computing kpt #: 298 total cpu time spent up to now is 64.0 secs Computing kpt #: 299 total cpu time spent up to now is 64.2 secs Computing kpt #: 300 total cpu time spent up to now is 64.4 secs Computing kpt #: 301 total cpu time spent up to now is 64.6 secs Computing kpt #: 302 total cpu time spent up to now is 64.7 secs Computing kpt #: 303 total cpu time spent up to now is 64.9 secs Computing kpt #: 304 total cpu time spent up to now is 65.1 secs Computing kpt #: 305 total cpu time spent up to now is 65.3 secs Computing kpt #: 306 total cpu time spent up to now is 65.5 secs Computing kpt #: 307 total cpu time spent up to now is 65.7 secs Computing kpt #: 308 total cpu time spent up to now is 65.8 secs Computing kpt #: 309 total cpu time spent up to now is 66.0 secs Computing kpt #: 310 total cpu time spent up to now is 66.2 secs Computing kpt #: 311 total cpu time spent up to now is 66.4 secs Computing kpt #: 312 total cpu time spent up to now is 66.6 secs Computing kpt #: 313 total cpu time spent up to now is 66.8 secs Computing kpt #: 314 total cpu time spent up to now is 67.0 secs Computing kpt #: 315 total cpu time spent up to now is 67.2 secs Computing kpt #: 316 total cpu time spent up to now is 67.4 secs Computing kpt #: 317 total cpu time spent up to now is 67.6 secs Computing kpt #: 318 total cpu time spent up to now is 67.8 secs Computing kpt #: 319 total cpu time spent up to now is 68.0 secs Computing kpt #: 320 total cpu time spent up to now is 68.2 secs Computing kpt #: 321 total cpu time spent up to now is 68.4 secs Computing kpt #: 322 total cpu time spent up to now is 68.6 secs Computing kpt #: 323 total cpu time spent up to now is 68.8 secs Computing kpt #: 324 total cpu time spent up to now is 69.0 secs Computing kpt #: 325 total cpu time spent up to now is 69.3 secs Computing kpt #: 326 total cpu time spent up to now is 69.5 secs Computing kpt #: 327 total cpu time spent up to now is 69.7 secs Computing kpt #: 328 total cpu time spent up to now is 69.9 secs Computing kpt #: 329 total cpu time spent up to now is 70.1 secs Computing kpt #: 330 total cpu time spent up to now is 70.4 secs Computing kpt #: 331 total cpu time spent up to now is 70.6 secs Computing kpt #: 332 total cpu time spent up to now is 70.8 secs Computing kpt #: 333 total cpu time spent up to now is 71.0 secs Computing kpt #: 334 total cpu time spent up to now is 71.3 secs Computing kpt #: 335 total cpu time spent up to now is 71.5 secs Computing kpt #: 336 total cpu time spent up to now is 71.7 secs Computing kpt #: 337 total cpu time spent up to now is 71.9 secs Computing kpt #: 338 total cpu time spent up to now is 72.1 secs Computing kpt #: 339 total cpu time spent up to now is 72.3 secs Computing kpt #: 340 total cpu time spent up to now is 72.5 secs Computing kpt #: 341 total cpu time spent up to now is 72.7 secs Computing kpt #: 342 total cpu time spent up to now is 72.9 secs Computing kpt #: 343 total cpu time spent up to now is 73.1 secs Computing kpt #: 344 total cpu time spent up to now is 73.3 secs Computing kpt #: 345 total cpu time spent up to now is 73.5 secs Computing kpt #: 346 total cpu time spent up to now is 73.7 secs Computing kpt #: 347 total cpu time spent up to now is 74.0 secs Computing kpt #: 348 total cpu time spent up to now is 74.2 secs Computing kpt #: 349 total cpu time spent up to now is 74.4 secs Computing kpt #: 350 total cpu time spent up to now is 74.6 secs Computing kpt #: 351 total cpu time spent up to now is 74.9 secs Computing kpt #: 352 total cpu time spent up to now is 75.1 secs Computing kpt #: 353 total cpu time spent up to now is 75.3 secs Computing kpt #: 354 total cpu time spent up to now is 75.5 secs Computing kpt #: 355 total cpu time spent up to now is 75.8 secs Computing kpt #: 356 total cpu time spent up to now is 76.0 secs Computing kpt #: 357 total cpu time spent up to now is 76.2 secs Computing kpt #: 358 total cpu time spent up to now is 76.4 secs Computing kpt #: 359 total cpu time spent up to now is 76.6 secs Computing kpt #: 360 total cpu time spent up to now is 76.8 secs Computing kpt #: 361 total cpu time spent up to now is 77.0 secs Computing kpt #: 362 total cpu time spent up to now is 77.2 secs Computing kpt #: 363 total cpu time spent up to now is 77.4 secs Computing kpt #: 364 total cpu time spent up to now is 77.6 secs Computing kpt #: 365 total cpu time spent up to now is 77.8 secs Computing kpt #: 366 total cpu time spent up to now is 78.0 secs Computing kpt #: 367 total cpu time spent up to now is 78.3 secs Computing kpt #: 368 total cpu time spent up to now is 78.5 secs Computing kpt #: 369 total cpu time spent up to now is 78.8 secs Computing kpt #: 370 total cpu time spent up to now is 79.0 secs Computing kpt #: 371 total cpu time spent up to now is 79.2 secs Computing kpt #: 372 total cpu time spent up to now is 79.4 secs Computing kpt #: 373 total cpu time spent up to now is 79.6 secs Computing kpt #: 374 total cpu time spent up to now is 79.8 secs Computing kpt #: 375 total cpu time spent up to now is 80.0 secs Computing kpt #: 376 total cpu time spent up to now is 80.2 secs Computing kpt #: 377 total cpu time spent up to now is 80.4 secs Computing kpt #: 378 total cpu time spent up to now is 80.6 secs Computing kpt #: 379 total cpu time spent up to now is 80.8 secs Computing kpt #: 380 total cpu time spent up to now is 81.1 secs Computing kpt #: 381 total cpu time spent up to now is 81.3 secs Computing kpt #: 382 total cpu time spent up to now is 81.5 secs Computing kpt #: 383 total cpu time spent up to now is 81.7 secs Computing kpt #: 384 total cpu time spent up to now is 82.0 secs Computing kpt #: 385 total cpu time spent up to now is 82.2 secs Computing kpt #: 386 total cpu time spent up to now is 82.5 secs Computing kpt #: 387 total cpu time spent up to now is 82.7 secs Computing kpt #: 388 total cpu time spent up to now is 82.9 secs Computing kpt #: 389 total cpu time spent up to now is 83.1 secs Computing kpt #: 390 total cpu time spent up to now is 83.3 secs Computing kpt #: 391 total cpu time spent up to now is 83.5 secs Computing kpt #: 392 total cpu time spent up to now is 83.7 secs Computing kpt #: 393 total cpu time spent up to now is 83.9 secs Computing kpt #: 394 total cpu time spent up to now is 84.1 secs Computing kpt #: 395 total cpu time spent up to now is 84.3 secs Computing kpt #: 396 total cpu time spent up to now is 84.4 secs Computing kpt #: 397 total cpu time spent up to now is 84.6 secs Computing kpt #: 398 total cpu time spent up to now is 84.8 secs Computing kpt #: 399 total cpu time spent up to now is 84.9 secs Computing kpt #: 400 total cpu time spent up to now is 85.1 secs Computing kpt #: 401 total cpu time spent up to now is 85.3 secs Computing kpt #: 402 total cpu time spent up to now is 85.4 secs Computing kpt #: 403 total cpu time spent up to now is 85.6 secs Computing kpt #: 404 total cpu time spent up to now is 85.8 secs Computing kpt #: 405 total cpu time spent up to now is 85.9 secs Computing kpt #: 406 total cpu time spent up to now is 86.1 secs Computing kpt #: 407 total cpu time spent up to now is 86.2 secs Computing kpt #: 408 total cpu time spent up to now is 86.4 secs Computing kpt #: 409 total cpu time spent up to now is 86.6 secs Computing kpt #: 410 total cpu time spent up to now is 86.7 secs Computing kpt #: 411 total cpu time spent up to now is 86.9 secs Computing kpt #: 412 total cpu time spent up to now is 87.1 secs Computing kpt #: 413 total cpu time spent up to now is 87.3 secs Computing kpt #: 414 total cpu time spent up to now is 87.5 secs Computing kpt #: 415 total cpu time spent up to now is 87.7 secs Computing kpt #: 416 total cpu time spent up to now is 87.9 secs Computing kpt #: 417 total cpu time spent up to now is 88.1 secs Computing kpt #: 418 total cpu time spent up to now is 88.3 secs Computing kpt #: 419 total cpu time spent up to now is 88.5 secs Computing kpt #: 420 total cpu time spent up to now is 88.7 secs Computing kpt #: 421 total cpu time spent up to now is 88.9 secs Computing kpt #: 422 total cpu time spent up to now is 89.1 secs Computing kpt #: 423 total cpu time spent up to now is 89.3 secs Computing kpt #: 424 total cpu time spent up to now is 89.5 secs Computing kpt #: 425 total cpu time spent up to now is 89.7 secs Computing kpt #: 426 total cpu time spent up to now is 89.8 secs Computing kpt #: 427 total cpu time spent up to now is 90.0 secs Computing kpt #: 428 total cpu time spent up to now is 90.2 secs Computing kpt #: 429 total cpu time spent up to now is 90.5 secs Computing kpt #: 430 total cpu time spent up to now is 90.7 secs Computing kpt #: 431 total cpu time spent up to now is 90.9 secs Computing kpt #: 432 total cpu time spent up to now is 91.2 secs ethr = 4.55E-08, avg # of iterations = 14.5 total cpu time spent up to now is 91.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2147 PWs) bands (ev): -58.7816 -58.7816 -30.2021 -30.2021 -20.4590 -20.4590 -20.4176 -20.4176 0.9280 0.9280 8.7878 8.7878 10.1593 10.1593 12.2632 12.2632 12.3957 12.3957 12.6634 12.6634 15.8984 15.8984 17.0452 17.0452 18.4191 18.4191 18.8601 18.8601 19.0779 19.0779 k = 0.0000 0.0000 0.0150 ( 2157 PWs) bands (ev): -58.7816 -58.7816 -30.2022 -30.2022 -20.4590 -20.4590 -20.4178 -20.4178 0.9297 0.9297 8.7895 8.7895 10.1556 10.1556 12.2634 12.2634 12.3961 12.3961 12.6637 12.6637 15.8897 15.8897 17.0423 17.0423 18.4178 18.4178 18.8569 18.8569 19.0776 19.0776 k = 0.0000 0.0000 0.0300 ( 2155 PWs) bands (ev): -58.7816 -58.7816 -30.2022 -30.2022 -20.4591 -20.4591 -20.4181 -20.4181 0.9348 0.9348 8.7943 8.7943 10.1447 10.1447 12.2637 12.2637 12.3967 12.3967 12.6654 12.6654 15.8638 15.8638 17.0337 17.0337 18.4138 18.4138 18.8477 18.8477 19.0764 19.0764 k = 0.0000 0.0000 0.0450 ( 2155 PWs) bands (ev): -58.7816 -58.7816 -30.2023 -30.2023 -20.4592 -20.4592 -20.4186 -20.4186 0.9432 0.9432 8.8023 8.8023 10.1267 10.1267 12.2639 12.2639 12.3955 12.3955 12.6704 12.6704 15.8211 15.8211 17.0194 17.0194 18.4074 18.4074 18.8338 18.8338 19.0744 19.0744 k = 0.0000 0.0000 0.0600 ( 2155 PWs) bands (ev): -58.7816 -58.7816 -30.2025 -30.2025 -20.4593 -20.4593 -20.4193 -20.4193 0.9549 0.9549 8.8135 8.8135 10.1023 10.1023 12.2632 12.2632 12.3901 12.3901 12.6816 12.6816 15.7624 15.7624 16.9992 16.9992 18.3993 18.3993 18.8170 18.8170 19.0713 19.0713 k = 0.0000 0.0000 0.0750 ( 2159 PWs) bands (ev): -58.7815 -58.7815 -30.2027 -30.2027 -20.4595 -20.4595 -20.4202 -20.4202 0.9701 0.9701 8.8279 8.8279 10.0721 10.0721 12.2603 12.2603 12.3789 12.3789 12.7014 12.7014 15.6887 15.6887 16.9735 16.9735 18.3898 18.3898 18.7991 18.7991 19.0671 19.0671 k = 0.0000 0.0000 0.0900 ( 2159 PWs) bands (ev): -58.7815 -58.7815 -30.2030 -30.2030 -20.4597 -20.4597 -20.4213 -20.4213 0.9885 0.9885 8.8453 8.8453 10.0367 10.0367 12.2526 12.2526 12.3631 12.3631 12.7308 12.7308 15.6013 15.6013 16.9424 16.9424 18.3799 18.3799 18.7818 18.7818 19.0616 19.0616 k = 0.0000 0.0000 0.1051 ( 2159 PWs) bands (ev): -58.7814 -58.7814 -30.2032 -30.2032 -20.4599 -20.4599 -20.4225 -20.4225 1.0103 1.0103 8.8658 8.8658 9.9968 9.9968 12.2357 12.2357 12.3470 12.3470 12.7690 12.7690 15.5014 15.5014 16.9066 16.9066 18.3701 18.3701 18.7665 18.7665 19.0549 19.0549 k = 0.0000 0.0000 0.1201 ( 2159 PWs) bands (ev): -58.7813 -58.7813 -30.2036 -30.2036 -20.4602 -20.4602 -20.4240 -20.4240 1.0353 1.0353 8.8893 8.8893 9.9532 9.9532 12.2052 12.2052 12.3361 12.3361 12.8146 12.8146 15.3904 15.3904 16.8668 16.8668 18.3612 18.3612 18.7539 18.7539 19.0470 19.0470 k = 0.0000 0.0000 0.1351 ( 2159 PWs) bands (ev): -58.7812 -58.7812 -30.2039 -30.2039 -20.4605 -20.4605 -20.4256 -20.4256 1.0637 1.0637 8.9157 8.9157 9.9066 9.9066 12.1611 12.1611 12.3314 12.3314 12.8658 12.8658 15.2697 15.2697 16.8240 16.8240 18.3538 18.3538 18.7445 18.7445 19.0379 19.0379 k = 0.0000 0.0000 0.1501 ( 2163 PWs) bands (ev): -58.7812 -58.7812 -30.2044 -30.2044 -20.4609 -20.4609 -20.4275 -20.4275 1.0954 1.0954 8.9449 8.9449 9.8576 9.8576 12.1064 12.1064 12.3312 12.3312 12.9211 12.9211 15.1406 15.1406 16.7794 16.7794 18.3483 18.3483 18.7384 18.7384 19.0276 19.0276 k = 0.0000 0.0000 0.1651 ( 2167 PWs) bands (ev): -58.7811 -58.7811 -30.2048 -30.2048 -20.4613 -20.4613 -20.4294 -20.4294 1.1303 1.1303 8.9767 8.9767 9.8068 9.8068 12.0436 12.0436 12.3338 12.3338 12.9788 12.9788 15.0044 15.0044 16.7343 16.7343 18.3450 18.3450 18.7354 18.7354 19.0163 19.0163 k = 0.0000 0.0000 0.1801 ( 2167 PWs) bands (ev): -58.7809 -58.7809 -30.2053 -30.2053 -20.4617 -20.4617 -20.4316 -20.4316 1.1684 1.1684 9.0112 9.0112 9.7546 9.7546 11.9745 11.9745 12.3382 12.3382 13.0376 13.0376 14.8625 14.8625 16.6899 16.6899 18.3441 18.3441 18.7351 18.7351 19.0041 19.0041 k = 0.0000 0.0000 0.1951 ( 2167 PWs) bands (ev): -58.7808 -58.7808 -30.2059 -30.2059 -20.4621 -20.4621 -20.4339 -20.4339 1.2098 1.2098 9.0480 9.0480 9.7016 9.7016 11.9004 11.9004 12.3440 12.3440 13.0962 13.0962 14.7162 14.7162 16.6477 16.6477 18.3457 18.3457 18.7372 18.7372 18.9909 18.9909 k = 0.0000 0.0000 0.2101 ( 2167 PWs) bands (ev): -58.7807 -58.7807 -30.2064 -30.2064 -20.4626 -20.4626 -20.4364 -20.4364 1.2543 1.2543 9.0870 9.0870 9.6481 9.6481 11.8220 11.8220 12.3510 12.3510 13.1533 13.1533 14.5665 14.5665 16.6089 16.6089 18.3496 18.3496 18.7413 18.7413 18.9770 18.9770 k = 0.0000 0.0000 0.2251 ( 2181 PWs) bands (ev): -58.7806 -58.7806 -30.2071 -30.2071 -20.4632 -20.4632 -20.4391 -20.4391 1.3019 1.3019 9.1281 9.1281 9.5945 9.5945 11.7402 11.7402 12.3589 12.3589 13.2078 13.2078 14.4147 14.4147 16.5747 16.5747 18.3559 18.3559 18.7468 18.7468 18.9624 18.9624 k = 0.0000 0.0000 0.2401 ( 2185 PWs) bands (ev): -58.7804 -58.7804 -30.2077 -30.2077 -20.4637 -20.4637 -20.4418 -20.4418 1.3527 1.3527 9.1710 9.1710 9.5410 9.5410 11.6556 11.6556 12.3677 12.3677 13.2586 13.2586 14.2618 14.2618 16.5465 16.5465 18.3643 18.3643 18.7533 18.7533 18.9474 18.9474 k = 0.0000 0.0000 0.2551 ( 2185 PWs) bands (ev): -58.7803 -58.7803 -30.2084 -30.2084 -20.4642 -20.4642 -20.4447 -20.4447 1.4066 1.4066 9.2154 9.2154 9.4880 9.4880 11.5685 11.5685 12.3773 12.3773 13.3045 13.3045 14.1090 14.1090 16.5252 16.5252 18.3747 18.3747 18.7601 18.7601 18.9320 18.9320 k = 0.0000 0.0000 0.2701 ( 2185 PWs) bands (ev): -58.7801 -58.7801 -30.2091 -30.2091 -20.4648 -20.4648 -20.4477 -20.4477 1.4635 1.4635 9.2610 9.2610 9.4356 9.4356 11.4796 11.4796 12.3878 12.3878 13.3443 13.3443 13.9574 13.9574 16.5117 16.5117 18.3868 18.3868 18.7667 18.7667 18.9167 18.9167 k = 0.0000 0.0000 0.2851 ( 2189 PWs) bands (ev): -58.7800 -58.7800 -30.2098 -30.2098 -20.4654 -20.4654 -20.4509 -20.4509 1.5234 1.5234 9.3074 9.3074 9.3841 9.3841 11.3892 11.3892 12.3990 12.3990 13.3769 13.3769 13.8085 13.8085 16.5070 16.5070 18.4004 18.4004 18.7724 18.7724 18.9020 18.9020 k = 0.0000 0.0000 0.3002 ( 2187 PWs) bands (ev): -58.7798 -58.7798 -30.2106 -30.2106 -20.4661 -20.4661 -20.4541 -20.4541 1.5862 1.5862 9.3332 9.3332 9.3546 9.3546 11.2977 11.2977 12.4109 12.4109 13.3996 13.3996 13.6651 13.6651 16.5114 16.5114 18.4152 18.4152 18.7760 18.7760 18.8886 18.8886 k = 0.0000 0.0000 0.3152 ( 2179 PWs) bands (ev): -58.7796 -58.7796 -30.2113 -30.2113 -20.4667 -20.4667 -20.4574 -20.4574 1.6520 1.6520 9.2839 9.2839 9.4013 9.4013 11.2054 11.2054 12.4235 12.4235 13.4022 13.4022 13.5381 13.5381 16.5254 16.5254 18.4310 18.4310 18.7764 18.7764 18.8776 18.8776 k = 0.0000 0.0000 0.3302 ( 2181 PWs) bands (ev): -58.7794 -58.7794 -30.2121 -30.2121 -20.4674 -20.4674 -20.4608 -20.4608 1.7206 1.7206 9.2357 9.2357 9.4476 9.4476 11.1126 11.1126 12.4365 12.4365 13.3370 13.3370 13.4761 13.4761 16.5490 16.5490 18.4472 18.4472 18.7723 18.7723 18.8702 18.8702 k = 0.0000 0.0000 0.3452 ( 2181 PWs) bands (ev): -58.7792 -58.7792 -30.2129 -30.2129 -20.4683 -20.4683 -20.4642 -20.4642 1.7920 1.7920 9.1889 9.1889 9.4928 9.4928 11.0196 11.0196 12.4498 12.4498 13.2179 13.2179 13.4661 13.4661 16.5820 16.5820 18.4636 18.4636 18.7633 18.7633 18.8669 18.8669 k = 0.0000 0.0000 0.3602 ( 2181 PWs) bands (ev): -58.7790 -58.7790 -30.2138 -30.2138 -20.4696 -20.4696 -20.4671 -20.4671 1.8662 1.8662 9.1434 9.1434 9.5361 9.5361 10.9267 10.9267 12.4629 12.4629 13.0947 13.0947 13.4599 13.4599 16.6240 16.6240 18.4796 18.4796 18.7501 18.7501 18.8669 18.8669 k = 0.0000 0.0000 0.3752 ( 2177 PWs) bands (ev): -58.7788 -58.7788 -30.2146 -30.2146 -20.4723 -20.4723 -20.4688 -20.4688 1.9430 1.9430 9.0994 9.0994 9.5768 9.5768 10.8341 10.8341 12.4751 12.4751 12.9775 12.9775 13.4497 13.4497 16.6744 16.6744 18.4944 18.4944 18.7340 18.7340 18.8694 18.8694 k = 0.0000 0.0000 0.3902 ( 2171 PWs) bands (ev): -58.7786 -58.7786 -30.2155 -30.2155 -20.4758 -20.4758 -20.4697 -20.4697 2.0225 2.0225 9.0570 9.0570 9.6140 9.6140 10.7420 10.7420 12.4847 12.4847 12.8705 12.8705 13.4342 13.4342 16.7323 16.7323 18.5072 18.5072 18.7163 18.7163 18.8734 18.8734 k = 0.0000 0.0000 0.4052 ( 2167 PWs) bands (ev): -58.7784 -58.7784 -30.2164 -30.2164 -20.4795 -20.4795 -20.4704 -20.4704 2.1045 2.1045 9.0161 9.0161 9.6469 9.6469 10.6505 10.6505 12.4884 12.4884 12.7785 12.7785 13.4138 13.4138 16.7968 16.7968 18.5170 18.5170 18.6980 18.6980 18.8785 18.8785 k = 0.0000 0.0000 0.4202 ( 2171 PWs) bands (ev): -58.7782 -58.7782 -30.2173 -30.2173 -20.4833 -20.4833 -20.4712 -20.4712 2.1890 2.1890 8.9768 8.9768 9.6744 9.6744 10.5600 10.5600 12.4791 12.4791 12.7094 12.7094 13.3888 13.3888 16.8669 16.8669 18.5223 18.5223 18.6801 18.6801 18.8848 18.8848 k = 0.0000 0.0000 0.4352 ( 2167 PWs) bands (ev): -58.7780 -58.7780 -30.2182 -30.2182 -20.4871 -20.4871 -20.4719 -20.4719 2.2758 2.2758 8.9391 8.9391 9.6957 9.6957 10.4704 10.4704 12.4496 12.4496 12.6716 12.6716 13.3601 13.3601 16.9415 16.9415 18.5217 18.5217 18.6632 18.6632 18.8922 18.8922 k = 0.0000 0.0000 0.4502 ( 2167 PWs) bands (ev): -58.7778 -58.7778 -30.2191 -30.2191 -20.4910 -20.4910 -20.4727 -20.4727 2.3650 2.3650 8.9030 8.9030 9.7099 9.7099 10.3821 10.3821 12.4038 12.4038 12.6616 12.6616 13.3284 13.3284 17.0194 17.0194 18.5141 18.5141 18.6479 18.6479 18.9010 18.9010 k = 0.0000 0.0000 0.4652 ( 2167 PWs) bands (ev): -58.7776 -58.7776 -30.2200 -30.2200 -20.4949 -20.4949 -20.4734 -20.4734 2.4564 2.4564 8.8686 8.8686 9.7163 9.7163 10.2950 10.2950 12.3543 12.3543 12.6673 12.6673 13.2945 13.2945 17.0995 17.0995 18.4991 18.4991 18.6338 18.6338 18.9112 18.9112 k = 0.0000 0.0000 0.4802 ( 2167 PWs) bands (ev): -58.7774 -58.7774 -30.2209 -30.2209 -20.4988 -20.4988 -20.4741 -20.4741 2.5499 2.5499 8.8358 8.8358 9.7144 9.7144 10.2094 10.2094 12.3095 12.3095 12.6804 12.6804 13.2591 13.2591 17.1807 17.1807 18.4771 18.4771 18.6196 18.6196 18.9225 18.9225 k = 0.0000 0.0000 0.4953 ( 2173 PWs) bands (ev): -58.7772 -58.7772 -30.2219 -30.2219 -20.5027 -20.5027 -20.4749 -20.4749 2.6454 2.6454 8.8046 8.8046 9.7040 9.7040 10.1254 10.1254 12.2728 12.2728 12.6968 12.6968 13.2233 13.2233 17.2619 17.2619 18.4488 18.4488 18.6040 18.6040 18.9346 18.9346 k = 0.0000 0.0000 0.5103 ( 2175 PWs) bands (ev): -58.7769 -58.7769 -30.2228 -30.2228 -20.5066 -20.5066 -20.4756 -20.4756 2.7428 2.7428 8.7750 8.7750 9.6852 9.6852 10.0430 10.0430 12.2454 12.2454 12.7143 12.7143 13.1879 13.1879 17.3421 17.3421 18.4146 18.4146 18.5860 18.5860 18.9467 18.9467 k = 0.0000 0.0000 0.5253 ( 2167 PWs) bands (ev): -58.7767 -58.7767 -30.2237 -30.2237 -20.5104 -20.5104 -20.4763 -20.4763 2.8420 2.8420 8.7471 8.7471 9.6584 9.6584 9.9623 9.9623 12.2273 12.2273 12.7313 12.7313 13.1544 13.1544 17.4200 17.4200 18.3742 18.3742 18.5650 18.5650 18.9581 18.9581 k = 0.0000 0.0000 0.5403 ( 2163 PWs) bands (ev): -58.7765 -58.7765 -30.2246 -30.2246 -20.5142 -20.5142 -20.4770 -20.4770 2.9427 2.9427 8.7206 8.7206 9.6245 9.6245 9.8834 9.8834 12.2176 12.2176 12.7462 12.7462 13.1241 13.1241 17.4949 17.4949 18.3271 18.3271 18.5408 18.5408 18.9680 18.9680 k = 0.0000 0.0000 0.5553 ( 2159 PWs) bands (ev): -58.7763 -58.7763 -30.2255 -30.2255 -20.5180 -20.5180 -20.4777 -20.4777 3.0449 3.0449 8.6957 8.6957 9.5843 9.5843 9.8065 9.8065 12.2150 12.2150 12.7570 12.7570 13.0992 13.0992 17.5658 17.5658 18.2722 18.2722 18.5134 18.5134 18.9757 18.9757 k = 0.0000 0.0000 0.5703 ( 2159 PWs) bands (ev): -58.7761 -58.7761 -30.2264 -30.2264 -20.5217 -20.5217 -20.4783 -20.4783 3.1485 3.1485 8.6723 8.6723 9.5390 9.5390 9.7315 9.7315 12.2178 12.2178 12.7616 12.7616 13.0817 13.0817 17.6318 17.6318 18.2085 18.2085 18.4832 18.4832 18.9804 18.9804 k = 0.0000 0.0000 0.5853 ( 2150 PWs) bands (ev): -58.7759 -58.7759 -30.2273 -30.2273 -20.5254 -20.5254 -20.4790 -20.4790 3.2531 3.2531 8.6504 8.6504 9.4899 9.4899 9.6586 9.6586 12.2243 12.2243 12.7582 12.7582 13.0735 13.0735 17.6924 17.6924 18.1357 18.1357 18.4504 18.4504 18.9811 18.9811 k = 0.0000 0.0000 0.6003 ( 2152 PWs) bands (ev): -58.7756 -58.7756 -30.2281 -30.2281 -20.5290 -20.5290 -20.4796 -20.4796 3.3587 3.3587 8.6298 8.6298 9.4380 9.4380 9.5877 9.5877 12.2326 12.2326 12.7463 12.7463 13.0752 13.0752 17.7469 17.7469 18.0543 18.0543 18.4155 18.4155 18.9740 18.9740 k = 0.0000 0.0000 0.6153 ( 2160 PWs) bands (ev): -58.7755 -58.7755 -30.2290 -30.2290 -20.5326 -20.5326 -20.4803 -20.4803 3.4650 3.4650 8.6107 8.6107 9.3845 9.3845 9.5191 9.5191 12.2406 12.2406 12.7270 12.7270 13.0856 13.0856 17.7948 17.7948 17.9665 17.9665 18.3788 18.3788 18.9411 18.9411 k = 0.0000 0.0000 0.6303 ( 2160 PWs) bands (ev): -58.7753 -58.7753 -30.2299 -30.2299 -20.5361 -20.5361 -20.4809 -20.4809 3.5717 3.5717 8.5929 8.5929 9.3306 9.3306 9.4526 9.4526 12.2465 12.2465 12.7023 12.7023 13.1027 13.1027 17.8356 17.8356 17.8757 17.8757 18.3406 18.3406 18.8844 18.8844 k = 0.0000 0.0000 0.6453 ( 2160 PWs) bands (ev): -58.7751 -58.7751 -30.2307 -30.2307 -20.5395 -20.5395 -20.4816 -20.4816 3.6787 3.6787 8.5763 8.5763 9.2772 9.2772 9.3884 9.3884 12.2483 12.2483 12.6742 12.6742 13.1245 13.1245 17.7837 17.7837 17.8714 17.8714 18.3014 18.3014 18.8290 18.8290 k = 0.0000 0.0000 0.6603 ( 2156 PWs) bands (ev): -58.7749 -58.7749 -30.2315 -30.2315 -20.5428 -20.5428 -20.4822 -20.4822 3.7856 3.7856 8.5610 8.5610 9.2253 9.2253 9.3266 9.3266 12.2444 12.2444 12.6442 12.6442 13.1495 13.1495 17.6969 17.6969 17.8991 17.8991 18.2612 18.2612 18.7800 18.7800 k = 0.0000 0.0000 0.6753 ( 2156 PWs) bands (ev): -58.7747 -58.7747 -30.2323 -30.2323 -20.5461 -20.5461 -20.4827 -20.4827 3.8921 3.8921 8.5468 8.5468 9.1757 9.1757 9.2671 9.2671 12.2331 12.2331 12.6134 12.6134 13.1765 13.1765 17.6172 17.6172 17.9202 17.9202 18.2204 18.2204 18.7377 18.7377 k = 0.0000 0.0000 0.6904 ( 2160 PWs) bands (ev): -58.7745 -58.7745 -30.2331 -30.2331 -20.5492 -20.5492 -20.4833 -20.4833 3.9979 3.9979 8.5338 8.5338 9.1291 9.1291 9.2101 9.2101 12.2129 12.2129 12.5827 12.5827 13.2049 13.2049 17.5471 17.5471 17.9347 17.9347 18.1795 18.1795 18.7016 18.7016 k = 0.0000 0.0000 0.7054 ( 2162 PWs) bands (ev): -58.7743 -58.7743 -30.2338 -30.2338 -20.5522 -20.5522 -20.4838 -20.4838 4.1027 4.1027 8.5218 8.5218 9.0862 9.0862 9.1556 9.1556 12.1828 12.1828 12.5525 12.5525 13.2340 13.2340 17.4885 17.4885 17.9425 17.9425 18.1389 18.1389 18.6716 18.6716 k = 0.0000 0.0000 0.7204 ( 2162 PWs) bands (ev): -58.7742 -58.7742 -30.2346 -30.2346 -20.5551 -20.5551 -20.4844 -20.4844 4.2060 4.2060 8.5107 8.5107 9.0478 9.0478 9.1037 9.1037 12.1419 12.1419 12.5232 12.5232 13.2636 13.2636 17.4422 17.4422 17.9433 17.9433 18.0997 18.0997 18.6477 18.6477 k = 0.0000 0.0000 0.7354 ( 2150 PWs) bands (ev): -58.7740 -58.7740 -30.2352 -30.2352 -20.5579 -20.5579 -20.4848 -20.4848 4.3074 4.3074 8.5007 8.5007 9.0141 9.0141 9.0545 9.0545 12.0898 12.0898 12.4951 12.4951 13.2935 13.2935 17.4086 17.4086 17.9362 17.9362 18.0629 18.0629 18.6304 18.6304 k = 0.0000 0.0000 0.7504 ( 2150 PWs) bands (ev): -58.7738 -58.7738 -30.2359 -30.2359 -20.5605 -20.5605 -20.4853 -20.4853 4.4066 4.4066 8.4914 8.4914 8.9850 8.9850 9.0090 9.0090 12.0266 12.0266 12.4684 12.4684 13.3234 13.3234 17.3871 17.3871 17.9207 17.9207 18.0298 18.0298 18.6202 18.6202 k = 0.0000 0.0000 0.7654 ( 2148 PWs) bands (ev): -58.7737 -58.7737 -30.2365 -30.2365 -20.5631 -20.5631 -20.4858 -20.4858 4.5030 4.5030 8.4830 8.4830 8.9552 8.9552 8.9729 8.9729 11.9526 11.9526 12.4431 12.4431 13.3531 13.3531 17.3769 17.3769 17.8966 17.8966 18.0011 18.0011 18.6179 18.6179 k = 0.0000 0.0000 0.7804 ( 2148 PWs) bands (ev): -58.7735 -58.7735 -30.2371 -30.2371 -20.5655 -20.5655 -20.4862 -20.4862 4.5962 4.5962 8.4754 8.4754 8.9171 8.9171 8.9542 8.9542 11.8685 11.8685 12.4192 12.4192 13.3825 13.3825 17.3764 17.3764 17.8661 17.8661 17.9755 17.9755 18.6243 18.6243 k = 0.0000 0.0000 0.7954 ( 2152 PWs) bands (ev): -58.7734 -58.7734 -30.2377 -30.2377 -20.5678 -20.5678 -20.4866 -20.4866 4.6857 4.6857 8.4684 8.4684 8.8787 8.8787 8.9455 8.9455 11.7752 11.7752 12.3969 12.3969 13.4114 13.4114 17.3839 17.3839 17.8319 17.8319 17.9511 17.9511 18.6400 18.6400 k = 0.0000 0.0000 0.8104 ( 2152 PWs) bands (ev): -58.7733 -58.7733 -30.2382 -30.2382 -20.5699 -20.5699 -20.4870 -20.4870 4.7710 4.7710 8.4621 8.4621 8.8424 8.8424 8.9447 8.9447 11.6741 11.6741 12.3762 12.3762 13.4397 13.4397 17.3971 17.3971 17.7962 17.7962 17.9268 17.9268 18.6654 18.6654 k = 0.0000 0.0000 0.8254 ( 2144 PWs) bands (ev): -58.7731 -58.7731 -30.2387 -30.2387 -20.5718 -20.5718 -20.4873 -20.4873 4.8516 4.8516 8.4564 8.4564 8.8085 8.8085 8.9515 8.9515 11.5663 11.5663 12.3570 12.3570 13.4670 13.4670 17.4142 17.4142 17.7607 17.7607 17.9020 17.9020 18.7004 18.7004 k = 0.0000 0.0000 0.8404 ( 2144 PWs) bands (ev): -58.7730 -58.7730 -30.2391 -30.2391 -20.5737 -20.5737 -20.4876 -20.4876 4.9272 4.9272 8.4513 8.4513 8.7773 8.7773 8.9659 8.9659 11.4534 11.4534 12.3394 12.3394 13.4932 13.4932 17.4330 17.4330 17.7264 17.7264 17.8770 17.8770 18.7445 18.7445 k = 0.0000 0.0000 0.8554 ( 2152 PWs) bands (ev): -58.7729 -58.7729 -30.2396 -30.2396 -20.5754 -20.5754 -20.4879 -20.4879 4.9972 4.9972 8.4468 8.4468 8.7486 8.7486 8.9880 8.9880 11.3369 11.3369 12.3234 12.3234 13.5181 13.5181 17.4518 17.4518 17.6940 17.6940 17.8522 17.8522 18.7967 18.7967 k = 0.0000 0.0000 0.8704 ( 2148 PWs) bands (ev): -58.7728 -58.7728 -30.2399 -30.2399 -20.5769 -20.5769 -20.4882 -20.4882 5.0614 5.0614 8.4428 8.4428 8.7227 8.7227 9.0173 9.0173 11.2184 11.2184 12.3090 12.3090 13.5415 13.5415 17.4689 17.4689 17.6644 17.6644 17.8283 17.8283 18.8475 18.8475 k = 0.0000 0.0000 0.8854 ( 2148 PWs) bands (ev): -58.7728 -58.7728 -30.2403 -30.2403 -20.5783 -20.5783 -20.4884 -20.4884 5.1194 5.1194 8.4394 8.4394 8.6994 8.6994 9.0534 9.0534 11.0995 11.0995 12.2961 12.2961 13.5631 13.5631 17.4832 17.4832 17.6383 17.6383 17.8058 17.8058 18.8514 18.8514 k = 0.0000 0.0000 0.9005 ( 2156 PWs) bands (ev): -58.7727 -58.7727 -30.2406 -30.2406 -20.5796 -20.5796 -20.4886 -20.4886 5.1709 5.1709 8.4364 8.4364 8.6788 8.6788 9.0954 9.0954 10.9822 10.9822 12.2848 12.2848 13.5827 13.5827 17.4934 17.4934 17.6165 17.6165 17.7852 17.7852 18.8473 18.8473 k = 0.0000 0.0000 0.9155 ( 2150 PWs) bands (ev): -58.7726 -58.7726 -30.2409 -30.2409 -20.5806 -20.5806 -20.4888 -20.4888 5.2158 5.2158 8.4339 8.4339 8.6609 8.6609 9.1421 9.1421 10.8687 10.8687 12.2751 12.2751 13.6002 13.6002 17.4986 17.4986 17.5999 17.5999 17.7670 17.7670 18.8432 18.8432 k = 0.0000 0.0000 0.9305 ( 2150 PWs) bands (ev): -58.7726 -58.7726 -30.2411 -30.2411 -20.5815 -20.5815 -20.4890 -20.4890 5.2540 5.2540 8.4318 8.4318 8.6458 8.6458 9.1917 9.1917 10.7614 10.7614 12.2669 12.2669 13.6153 13.6153 17.4986 17.4986 17.5891 17.5891 17.7515 17.7515 18.8397 18.8397 k = 0.0000 0.0000 0.9455 ( 2150 PWs) bands (ev): -58.7725 -58.7725 -30.2413 -30.2413 -20.5823 -20.5823 -20.4891 -20.4891 5.2852 5.2852 8.4301 8.4301 8.6334 8.6334 9.2417 9.2417 10.6635 10.6635 12.2602 12.2602 13.6278 13.6278 17.4947 17.4947 17.5830 17.5830 17.7390 17.7390 18.8368 18.8368 k = 0.0000 0.0000 0.9605 ( 2146 PWs) bands (ev): -58.7725 -58.7725 -30.2414 -30.2414 -20.5828 -20.5828 -20.4892 -20.4892 5.3096 5.3096 8.4289 8.4289 8.6238 8.6238 9.2884 9.2884 10.5791 10.5791 12.2550 12.2550 13.6378 13.6378 17.4892 17.4892 17.5799 17.5799 17.7296 17.7296 18.8345 18.8345 k = 0.0000 0.0000 0.9755 ( 2142 PWs) bands (ev): -58.7725 -58.7725 -30.2415 -30.2415 -20.5832 -20.5832 -20.4892 -20.4892 5.3270 5.3270 8.4280 8.4280 8.6169 8.6169 9.3275 9.3275 10.5128 10.5128 12.2513 12.2513 13.6450 13.6450 17.4840 17.4840 17.5785 17.5785 17.7230 17.7230 18.8328 18.8328 k = 0.0000 0.0000 0.9905 ( 2146 PWs) bands (ev): -58.7724 -58.7724 -30.2416 -30.2416 -20.5835 -20.5835 -20.4893 -20.4893 5.3374 5.3374 8.4275 8.4275 8.6127 8.6127 9.3539 9.3539 10.4700 10.4700 12.2490 12.2490 13.6493 13.6493 17.4804 17.4804 17.5778 17.5778 17.7191 17.7191 18.8318 18.8318 k = 0.0000 0.0000 1.0055 ( 2146 PWs) bands (ev): -58.7724 -58.7724 -30.2416 -30.2416 -20.5836 -20.5836 -20.4893 -20.4893 5.3409 5.3409 8.4273 8.4273 8.6113 8.6113 9.3633 9.3633 10.4552 10.4552 12.2483 12.2483 13.6508 13.6508 17.4792 17.4792 17.5776 17.5776 17.7179 17.7179 18.8315 18.8315 k = 0.0000 0.0000 1.0055 ( 2146 PWs) bands (ev): -58.7724 -58.7724 -30.2416 -30.2416 -20.5836 -20.5836 -20.4893 -20.4893 5.3409 5.3409 8.4273 8.4273 8.6113 8.6113 9.3633 9.3633 10.4552 10.4552 12.2483 12.2483 13.6508 13.6508 17.4792 17.4792 17.5776 17.5776 17.7179 17.7179 18.8315 18.8315 k =-0.0075 0.0130 1.0055 ( 2138 PWs) bands (ev): -58.7724 -58.7724 -30.2415 -30.2415 -20.5835 -20.5835 -20.4893 -20.4893 5.3420 5.3420 8.3229 8.3229 8.7181 8.7181 9.3645 9.3645 10.4543 10.4543 12.2493 12.2493 13.6446 13.6446 17.4742 17.4742 17.5611 17.5611 17.7224 17.7224 18.8434 18.8434 k =-0.0149 0.0261 1.0055 ( 2138 PWs) bands (ev): -58.7725 -58.7725 -30.2415 -30.2415 -20.5832 -20.5832 -20.4893 -20.4893 5.3455 5.3455 8.1627 8.1627 8.8856 8.8856 9.3683 9.3683 10.4516 10.4516 12.2525 12.2525 13.6265 13.6265 17.4566 17.4566 17.5218 17.5218 17.7300 17.7300 18.8781 18.8781 k =-0.0224 0.0391 1.0055 ( 2142 PWs) bands (ev): -58.7725 -58.7725 -30.2414 -30.2414 -20.5828 -20.5828 -20.4892 -20.4892 5.3513 5.3513 7.9981 7.9981 9.0613 9.0613 9.3753 9.3753 10.4470 10.4470 12.2576 12.2576 13.5970 13.5970 17.4158 17.4158 17.4805 17.4805 17.7335 17.7335 18.9329 18.9329 k =-0.0299 0.0521 1.0055 ( 2146 PWs) bands (ev): -58.7725 -58.7725 -30.2413 -30.2413 -20.5823 -20.5823 -20.4892 -20.4892 5.3592 5.3592 7.8343 7.8343 9.2358 9.2358 9.3901 9.3901 10.4405 10.4405 12.2649 12.2649 13.5575 13.5575 17.3485 17.3485 17.4471 17.4471 17.7306 17.7306 19.0049 19.0049 k =-0.0373 0.0651 1.0055 ( 2142 PWs) bands (ev): -58.7726 -58.7726 -30.2411 -30.2411 -20.5815 -20.5815 -20.4891 -20.4891 5.3694 5.3694 7.6724 7.6724 9.3579 9.3579 9.4626 9.4626 10.4317 10.4317 12.2742 12.2742 13.5093 13.5093 17.2670 17.2670 17.4133 17.4133 17.7217 17.7217 19.0915 19.0915 k =-0.0448 0.0782 1.0055 ( 2152 PWs) bands (ev): -58.7726 -58.7726 -30.2409 -30.2409 -20.5807 -20.5807 -20.4891 -20.4891 5.3817 5.3817 7.5129 7.5129 9.3861 9.3861 9.6338 9.6338 10.4205 10.4205 12.2855 12.2855 13.4542 13.4542 17.1784 17.1784 17.3748 17.3748 17.7076 17.7076 19.1906 19.1906 k =-0.0523 0.0912 1.0055 ( 2148 PWs) bands (ev): -58.7727 -58.7727 -30.2406 -30.2406 -20.5796 -20.5796 -20.4890 -20.4890 5.3961 5.3961 7.3558 7.3558 9.4023 9.4023 9.8217 9.8217 10.4066 10.4066 12.2989 12.2989 13.3941 13.3941 17.0863 17.0863 17.3307 17.3307 17.6892 17.6892 19.3006 19.3006 k =-0.0597 0.1042 1.0055 ( 2148 PWs) bands (ev): -58.7728 -58.7728 -30.2403 -30.2403 -20.5784 -20.5784 -20.4888 -20.4888 5.4123 5.4123 7.2014 7.2014 9.4184 9.4184 10.0142 10.0142 10.3896 10.3896 12.3143 12.3143 13.3308 13.3308 16.9925 16.9925 17.2810 17.2810 17.6675 17.6675 19.4201 19.4201 k =-0.0672 0.1172 1.0055 ( 2154 PWs) bands (ev): -58.7728 -58.7728 -30.2400 -30.2400 -20.5770 -20.5770 -20.4887 -20.4887 5.4303 5.4303 7.0496 7.0496 9.4356 9.4356 10.2097 10.2097 10.3695 10.3695 12.3317 12.3317 13.2663 13.2663 16.8983 16.8983 17.2263 17.2263 17.6432 17.6432 19.5477 19.5477 k =-0.0747 0.1303 1.0055 ( 2158 PWs) bands (ev): -58.7729 -58.7729 -30.2397 -30.2397 -20.5755 -20.5755 -20.4886 -20.4886 5.4499 5.4499 6.9006 6.9006 9.4545 9.4545 10.3454 10.3454 10.4081 10.4081 12.3511 12.3511 13.2024 13.2024 16.8049 16.8049 17.1670 17.1670 17.6166 17.6166 19.6821 19.6821 k =-0.0821 0.1433 1.0055 ( 2158 PWs) bands (ev): -58.7730 -58.7730 -30.2393 -30.2393 -20.5738 -20.5738 -20.4885 -20.4885 5.4709 5.4709 6.7543 6.7543 9.4750 9.4750 10.3180 10.3180 10.6083 10.6083 12.3724 12.3724 13.1406 13.1406 16.7129 16.7129 17.1039 17.1039 17.5881 17.5881 19.8220 19.8220 k =-0.0821 0.1433 1.0055 ( 2158 PWs) bands (ev): -58.7730 -58.7730 -30.2393 -30.2393 -20.5738 -20.5738 -20.4885 -20.4885 5.4709 5.4709 6.7543 6.7543 9.4750 9.4750 10.3180 10.3180 10.6083 10.6083 12.3724 12.3724 13.1406 13.1406 16.7129 16.7129 17.1039 17.1039 17.5881 17.5881 19.8220 19.8220 k =-0.0873 0.1524 0.9950 ( 2160 PWs) bands (ev): -58.7731 -58.7731 -30.2390 -30.2390 -20.5726 -20.5726 -20.4883 -20.4883 5.4849 5.4849 6.6540 6.6540 9.4825 9.4825 10.3069 10.3069 10.7499 10.7499 12.3888 12.3888 13.0986 13.0986 16.6506 16.6506 17.0586 17.0586 17.5679 17.5679 19.9220 19.9220 k =-0.0926 0.1615 0.9845 ( 2158 PWs) bands (ev): -58.7732 -58.7732 -30.2386 -30.2386 -20.5712 -20.5712 -20.4881 -20.4881 5.4965 5.4965 6.5561 6.5561 9.4738 9.4738 10.3158 10.3158 10.8927 10.8927 12.4067 12.4067 13.0573 13.0573 16.5914 16.5914 17.0132 17.0132 17.5484 17.5484 20.0226 20.0226 k =-0.0978 0.1706 0.9740 ( 2158 PWs) bands (ev): -58.7733 -58.7733 -30.2382 -30.2382 -20.5697 -20.5697 -20.4879 -20.4879 5.5057 5.5057 6.4605 6.4605 9.4492 9.4492 10.3445 10.3445 11.0362 11.0362 12.4261 12.4261 13.0170 13.0170 16.5358 16.5358 16.9683 16.9683 17.5297 17.5297 20.1227 20.1227 k =-0.1030 0.1797 0.9635 ( 2158 PWs) bands (ev): -58.7734 -58.7734 -30.2378 -30.2378 -20.5682 -20.5682 -20.4876 -20.4876 5.5128 5.5128 6.3673 6.3673 9.4110 9.4110 10.3903 10.3903 11.1802 11.1802 12.4471 12.4471 12.9780 12.9780 16.4840 16.4840 16.9243 16.9243 17.5121 17.5121 20.2208 20.2208 k =-0.1082 0.1889 0.9530 ( 2150 PWs) bands (ev): -58.7735 -58.7735 -30.2373 -30.2373 -20.5665 -20.5665 -20.4871 -20.4871 5.5177 5.5177 6.2766 6.2766 9.3622 9.3622 10.4501 10.4501 11.3242 11.3242 12.4697 12.4697 12.9407 12.9407 16.4363 16.4363 16.8818 16.8818 17.4955 17.4955 20.3143 20.3143 k =-0.1135 0.1980 0.9425 ( 2146 PWs) bands (ev): -58.7736 -58.7736 -30.2369 -30.2369 -20.5649 -20.5649 -20.4866 -20.4866 5.5207 5.5207 6.1883 6.1883 9.3057 9.3057 10.5207 10.5207 11.4676 11.4676 12.4939 12.4939 12.9057 12.9057 16.3931 16.3931 16.8411 16.8411 17.4801 17.4801 20.3979 20.3979 k =-0.1187 0.2071 0.9320 ( 2148 PWs) bands (ev): -58.7737 -58.7737 -30.2364 -30.2364 -20.5633 -20.5633 -20.4860 -20.4860 5.5217 5.5217 6.1026 6.1026 9.2439 9.2439 10.5994 10.5994 11.6096 11.6096 12.5198 12.5198 12.8733 12.8733 16.3547 16.3547 16.8029 16.8029 17.4658 17.4658 20.4600 20.4600 k =-0.1239 0.2162 0.9215 ( 2146 PWs) bands (ev): -58.7739 -58.7739 -30.2359 -30.2359 -20.5616 -20.5616 -20.4853 -20.4853 5.5208 5.5208 6.0195 6.0195 9.1786 9.1786 10.6843 10.6843 11.7489 11.7489 12.5476 12.5476 12.8445 12.8445 16.3215 16.3215 16.7676 16.7676 17.4528 17.4528 20.4818 20.4818 k =-0.1291 0.2253 0.9110 ( 2146 PWs) bands (ev): -58.7740 -58.7740 -30.2353 -30.2353 -20.5600 -20.5600 -20.4844 -20.4844 5.5181 5.5181 5.9391 5.9391 9.1110 9.1110 10.7737 10.7737 11.8840 11.8840 12.5771 12.5771 12.8209 12.8209 16.2938 16.2938 16.7357 16.7357 17.4411 17.4411 20.4555 20.4555 k =-0.1344 0.2344 0.9005 ( 2144 PWs) bands (ev): -58.7741 -58.7741 -30.2348 -30.2348 -20.5585 -20.5585 -20.4834 -20.4834 5.5136 5.5136 5.8615 5.8615 9.0421 9.0421 10.8666 10.8666 12.0124 12.0124 12.6068 12.6068 12.8059 12.8059 16.2719 16.2719 16.7074 16.7074 17.4307 17.4307 20.3961 20.3961 k =-0.1396 0.2435 0.8900 ( 2144 PWs) bands (ev): -58.7743 -58.7743 -30.2342 -30.2342 -20.5571 -20.5571 -20.4822 -20.4822 5.5072 5.5072 5.7870 5.7870 8.9726 8.9726 10.9618 10.9618 12.1309 12.1309 12.6321 12.6321 12.8071 12.8071 16.2563 16.2563 16.6833 16.6833 17.4219 17.4219 20.3198 20.3198 k =-0.1448 0.2527 0.8795 ( 2145 PWs) bands (ev): -58.7744 -58.7744 -30.2336 -30.2336 -20.5557 -20.5557 -20.4809 -20.4809 5.4986 5.4986 5.7161 5.7161 8.9030 8.9030 11.0586 11.0586 12.2353 12.2353 12.6451 12.6451 12.8359 12.8359 16.2472 16.2472 16.6635 16.6635 17.4148 17.4148 20.2352 20.2352 k =-0.1500 0.2618 0.8690 ( 2149 PWs) bands (ev): -58.7746 -58.7746 -30.2331 -30.2331 -20.5545 -20.5545 -20.4794 -20.4794 5.4867 5.4867 5.6497 5.6497 8.8337 8.8337 11.1563 11.1563 12.3224 12.3224 12.6445 12.6445 12.8966 12.8966 16.2450 16.2450 16.6485 16.6485 17.4095 17.4095 20.1462 20.1462 k =-0.1553 0.2709 0.8584 ( 2145 PWs) bands (ev): -58.7747 -58.7747 -30.2324 -30.2324 -20.5533 -20.5533 -20.4777 -20.4777 5.4693 5.4693 5.5905 5.5905 8.7650 8.7650 11.2543 11.2543 12.3910 12.3910 12.6367 12.6367 12.9832 12.9832 16.2500 16.2500 16.6382 16.6382 17.4063 17.4063 20.0551 20.0551 k =-0.1605 0.2800 0.8479 ( 2145 PWs) bands (ev): -58.7748 -58.7748 -30.2318 -30.2318 -20.5523 -20.5523 -20.4759 -20.4759 5.4416 5.4416 5.5433 5.5433 8.6972 8.6972 11.3519 11.3519 12.4427 12.4427 12.6272 12.6272 13.0881 13.0881 16.2627 16.2627 16.6329 16.6329 17.4056 17.4056 19.9629 19.9629 k =-0.1657 0.2891 0.8374 ( 2147 PWs) bands (ev): -58.7750 -58.7750 -30.2312 -30.2312 -20.5514 -20.5514 -20.4740 -20.4740 5.4002 5.4002 5.5116 5.5116 8.6306 8.6306 11.4487 11.4487 12.4802 12.4802 12.6194 12.6194 13.2049 13.2049 16.2833 16.2833 16.6325 16.6325 17.4078 17.4078 19.8705 19.8705 k =-0.1709 0.2982 0.8269 ( 2149 PWs) bands (ev): -58.7752 -58.7752 -30.2306 -30.2306 -20.5507 -20.5507 -20.4719 -20.4719 5.3500 5.3500 5.4908 5.4908 8.5654 8.5654 11.5442 11.5442 12.5051 12.5051 12.6156 12.6156 13.3285 13.3285 16.3120 16.3120 16.6368 16.6368 17.4133 17.4133 19.7784 19.7784 k =-0.1761 0.3073 0.8164 ( 2151 PWs) bands (ev): -58.7753 -58.7753 -30.2301 -30.2301 -20.5500 -20.5500 -20.4697 -20.4697 5.2969 5.2969 5.4748 5.4748 8.5017 8.5017 11.6378 11.6378 12.5185 12.5185 12.6179 12.6179 13.4555 13.4555 16.3492 16.3492 16.6456 16.6456 17.4228 17.4228 19.6871 19.6871 k =-0.1814 0.3164 0.8059 ( 2151 PWs) bands (ev): -58.7754 -58.7754 -30.2295 -30.2295 -20.5495 -20.5495 -20.4674 -20.4674 5.2440 5.2440 5.4608 5.4608 8.4398 8.4398 11.7292 11.7292 12.5228 12.5228 12.6258 12.6258 13.5834 13.5834 16.3951 16.3951 16.6585 16.6585 17.4369 17.4369 19.5968 19.5968 k =-0.1866 0.3256 0.7954 ( 2151 PWs) bands (ev): -58.7756 -58.7756 -30.2289 -30.2289 -20.5491 -20.5491 -20.4650 -20.4650 5.1925 5.1925 5.4478 5.4478 8.3797 8.3797 11.8179 11.8179 12.5214 12.5214 12.6369 12.6369 13.7106 13.7106 16.4496 16.4496 16.6748 16.6748 17.4566 17.4566 19.5079 19.5079 k =-0.1918 0.3347 0.7849 ( 2149 PWs) bands (ev): -58.7757 -58.7757 -30.2283 -30.2283 -20.5488 -20.5488 -20.4625 -20.4625 5.1429 5.1429 5.4353 5.4353 8.3217 8.3217 11.9035 11.9035 12.5175 12.5175 12.6488 12.6488 13.8356 13.8356 16.5127 16.5127 16.6940 16.6940 17.4828 17.4828 19.4208 19.4208 k =-0.1970 0.3438 0.7744 ( 2147 PWs) bands (ev): -58.7759 -58.7759 -30.2277 -30.2277 -20.5486 -20.5486 -20.4600 -20.4600 5.0955 5.0955 5.4231 5.4231 8.2658 8.2658 11.9855 11.9855 12.5129 12.5129 12.6604 12.6604 13.9575 13.9575 16.5837 16.5837 16.7158 16.7158 17.5165 17.5165 19.3357 19.3357 k =-0.2023 0.3529 0.7639 ( 2147 PWs) bands (ev): -58.7760 -58.7760 -30.2272 -30.2272 -20.5485 -20.5485 -20.4576 -20.4576 5.0504 5.0504 5.4112 5.4112 8.2123 8.2123 12.0634 12.0634 12.5085 12.5085 12.6713 12.6713 14.0755 14.0755 16.6597 16.6597 16.7420 16.7420 17.5585 17.5585 19.2529 19.2529 k =-0.2075 0.3620 0.7534 ( 2151 PWs) bands (ev): -58.7761 -58.7761 -30.2266 -30.2266 -20.5484 -20.5484 -20.4551 -20.4551 5.0078 5.0078 5.3996 5.3996 8.1612 8.1612 12.1366 12.1366 12.5050 12.5050 12.6813 12.6813 14.1890 14.1890 16.7247 16.7247 16.7876 16.7876 17.6098 17.6098 19.1727 19.1727 k =-0.2127 0.3711 0.7429 ( 2149 PWs) bands (ev): -58.7763 -58.7763 -30.2261 -30.2261 -20.5484 -20.5484 -20.4526 -20.4526 4.9676 4.9676 5.3883 5.3883 8.1126 8.1126 12.2044 12.2044 12.5030 12.5030 12.6906 12.6906 14.2975 14.2975 16.7582 16.7582 16.8718 16.8718 17.6708 17.6708 19.0956 19.0956 k =-0.2179 0.3802 0.7324 ( 2147 PWs) bands (ev): -58.7764 -58.7764 -30.2256 -30.2256 -20.5484 -20.5484 -20.4502 -20.4502 4.9299 4.9299 5.3774 5.3774 8.0666 8.0666 12.2655 12.2655 12.5034 12.5034 12.6994 12.6994 14.4005 14.4005 16.7793 16.7793 16.9747 16.9747 17.7419 17.7419 19.0220 19.0220 k =-0.2232 0.3894 0.7219 ( 2147 PWs) bands (ev): -58.7765 -58.7765 -30.2252 -30.2252 -20.5485 -20.5485 -20.4479 -20.4479 4.8948 4.8948 5.3669 5.3669 8.0234 8.0234 12.3181 12.3181 12.5078 12.5078 12.7080 12.7080 14.4978 14.4978 16.7960 16.7960 17.0873 17.0873 17.8228 17.8228 18.9522 18.9522 k =-0.2284 0.3985 0.7114 ( 2149 PWs) bands (ev): -58.7766 -58.7766 -30.2247 -30.2247 -20.5486 -20.5486 -20.4457 -20.4457 4.8622 4.8622 5.3570 5.3570 7.9830 7.9830 12.3596 12.3596 12.5181 12.5181 12.7169 12.7169 14.5890 14.5890 16.8098 16.8098 17.2073 17.2073 17.9130 17.9130 18.8869 18.8869 k =-0.2336 0.4076 0.7009 ( 2153 PWs) bands (ev): -58.7767 -58.7767 -30.2243 -30.2243 -20.5487 -20.5487 -20.4436 -20.4436 4.8322 4.8322 5.3476 5.3476 7.9455 7.9455 12.3881 12.3881 12.5358 12.5358 12.7267 12.7267 14.6739 14.6739 16.8212 16.8212 17.3334 17.3334 18.0113 18.0113 18.8270 18.8270 k =-0.2388 0.4167 0.6904 ( 2151 PWs) bands (ev): -58.7768 -58.7768 -30.2239 -30.2239 -20.5488 -20.5488 -20.4416 -20.4416 4.8048 4.8048 5.3388 5.3388 7.9111 7.9111 12.4046 12.4046 12.5591 12.5591 12.7380 12.7380 14.7524 14.7524 16.8306 16.8306 17.4648 17.4648 18.1158 18.1158 18.7738 18.7738 k =-0.2441 0.4258 0.6799 ( 2140 PWs) bands (ev): -58.7769 -58.7769 -30.2235 -30.2235 -20.5490 -20.5490 -20.4397 -20.4397 4.7800 4.7800 5.3307 5.3307 7.8797 7.8797 12.4131 12.4131 12.5833 12.5833 12.7515 12.7515 14.8242 14.8242 16.8382 16.8382 17.6002 17.6002 18.2229 18.2229 18.7300 18.7300 k =-0.2493 0.4349 0.6694 ( 2138 PWs) bands (ev): -58.7770 -58.7770 -30.2232 -30.2232 -20.5491 -20.5491 -20.4380 -20.4380 4.7578 4.7578 5.3233 5.3233 7.8514 7.8514 12.4171 12.4171 12.6048 12.6048 12.7675 12.7675 14.8893 14.8893 16.8442 16.8442 17.7385 17.7385 18.3254 18.3254 18.7021 18.7021 k =-0.2545 0.4440 0.6589 ( 2142 PWs) bands (ev): -58.7770 -58.7770 -30.2229 -30.2229 -20.5492 -20.5492 -20.4365 -20.4365 4.7382 4.7382 5.3166 5.3166 7.8263 7.8263 12.4187 12.4187 12.6218 12.6218 12.7855 12.7855 14.9473 14.9473 16.8490 16.8490 17.8786 17.8786 18.4068 18.4068 18.7049 18.7049 k =-0.2597 0.4532 0.6484 ( 2141 PWs) bands (ev): -58.7771 -58.7771 -30.2227 -30.2227 -20.5494 -20.5494 -20.4352 -20.4352 4.7212 4.7212 5.3108 5.3108 7.8045 7.8045 12.4191 12.4191 12.6343 12.6343 12.8044 12.8044 14.9981 14.9981 16.8528 16.8528 18.0188 18.0188 18.4461 18.4461 18.7575 18.7575 k =-0.2649 0.4623 0.6379 ( 2147 PWs) bands (ev): -58.7772 -58.7772 -30.2225 -30.2225 -20.5495 -20.5495 -20.4340 -20.4340 4.7068 4.7068 5.3058 5.3058 7.7859 7.7859 12.4189 12.4189 12.6431 12.6431 12.8226 12.8226 15.0415 15.0415 16.8557 16.8557 18.1572 18.1572 18.4495 18.4495 18.8509 18.8509 k =-0.2702 0.4714 0.6273 ( 2149 PWs) bands (ev): -58.7772 -58.7772 -30.2223 -30.2223 -20.5496 -20.5496 -20.4331 -20.4331 4.6950 4.6950 5.3016 5.3016 7.7707 7.7707 12.4184 12.4184 12.6492 12.6492 12.8391 12.8391 15.0773 15.0773 16.8579 16.8579 18.2909 18.2909 18.4387 18.4387 18.9591 18.9591 k =-0.2754 0.4805 0.6168 ( 2148 PWs) bands (ev): -58.7772 -58.7772 -30.2222 -30.2222 -20.5497 -20.5497 -20.4324 -20.4324 4.6858 4.6858 5.2984 5.2984 7.7588 7.7588 12.4179 12.4179 12.6533 12.6533 12.8526 12.8526 15.1054 15.1054 16.8595 16.8595 18.4138 18.4138 18.4271 18.4271 19.0643 19.0643 k =-0.2806 0.4896 0.6063 ( 2148 PWs) bands (ev): -58.7773 -58.7773 -30.2221 -30.2221 -20.5497 -20.5497 -20.4318 -20.4318 4.6793 4.6793 5.2961 5.2961 7.7503 7.7503 12.4175 12.4175 12.6559 12.6559 12.8627 12.8627 15.1256 15.1256 16.8606 16.8606 18.4139 18.4139 18.5232 18.5232 19.1533 19.1533 k =-0.2858 0.4987 0.5958 ( 2150 PWs) bands (ev): -58.7773 -58.7773 -30.2220 -30.2220 -20.5498 -20.5498 -20.4315 -20.4315 4.6753 4.6753 5.2946 5.2946 7.7452 7.7452 12.4172 12.4172 12.6573 12.6573 12.8689 12.8689 15.1378 15.1378 16.8612 16.8612 18.4067 18.4067 18.6001 18.6001 19.2135 19.2135 k =-0.2911 0.5078 0.5853 ( 2152 PWs) bands (ev): -58.7773 -58.7773 -30.2220 -30.2220 -20.5498 -20.5498 -20.4314 -20.4314 4.6740 4.6740 5.2942 5.2942 7.7435 7.7435 12.4171 12.4171 12.6577 12.6577 12.8710 12.8710 15.1419 15.1419 16.8614 16.8614 18.4042 18.4042 18.6290 18.6290 19.2347 19.2347 k =-0.2911 0.5078 0.5853 ( 2152 PWs) bands (ev): -58.7773 -58.7773 -30.2220 -30.2220 -20.5498 -20.5498 -20.4314 -20.4314 4.6740 4.6740 5.2942 5.2942 7.7435 7.7435 12.4171 12.4171 12.6577 12.6577 12.8710 12.8710 15.1419 15.1419 16.8614 16.8614 18.4042 18.4042 18.6290 18.6290 19.2347 19.2347 k =-0.2859 0.4988 0.5749 ( 2150 PWs) bands (ev): -58.7772 -58.7772 -30.2223 -30.2223 -20.5514 -20.5514 -20.4310 -20.4310 4.7649 4.7649 5.1996 5.1996 7.8054 7.8054 12.3635 12.3635 12.6274 12.6274 12.8559 12.8559 15.1175 15.1175 16.9319 16.9319 18.3813 18.3813 18.5045 18.5045 19.3549 19.3549 k =-0.2807 0.4897 0.5644 ( 2146 PWs) bands (ev): -58.7772 -58.7772 -30.2225 -30.2225 -20.5529 -20.5529 -20.4306 -20.4306 4.8531 4.8531 5.1013 5.1013 7.8797 7.8797 12.3058 12.3058 12.5985 12.5985 12.8443 12.8443 15.0886 15.0886 16.9966 16.9966 18.3616 18.3616 18.3847 18.3847 19.3397 19.3397 k =-0.2755 0.4806 0.5540 ( 2148 PWs) bands (ev): -58.7771 -58.7771 -30.2228 -30.2228 -20.5541 -20.5541 -20.4303 -20.4303 4.9084 4.9084 5.0314 5.0314 7.9643 7.9643 12.2443 12.2443 12.5711 12.5711 12.8363 12.8363 15.0552 15.0552 17.0548 17.0548 18.2664 18.2664 18.3480 18.3480 19.2945 19.2945 k =-0.2703 0.4716 0.5435 ( 2148 PWs) bands (ev): -58.7771 -58.7771 -30.2229 -30.2229 -20.5551 -20.5551 -20.4300 -20.4300 4.8395 4.8395 5.0831 5.0831 8.0574 8.0574 12.1793 12.1793 12.5452 12.5452 12.8317 12.8317 15.0174 15.0174 17.1054 17.1054 18.1544 18.1544 18.3348 18.3348 19.2557 19.2557 k =-0.2651 0.4625 0.5331 ( 2148 PWs) bands (ev): -58.7770 -58.7770 -30.2230 -30.2230 -20.5559 -20.5559 -20.4297 -20.4297 4.7274 4.7274 5.1766 5.1766 8.1577 8.1577 12.1112 12.1112 12.5210 12.5210 12.8305 12.8305 14.9753 14.9753 17.1474 17.1474 18.0475 18.0475 18.3231 18.3231 19.2242 19.2242 k =-0.2599 0.4534 0.5226 ( 2147 PWs) bands (ev): -58.7770 -58.7770 -30.2231 -30.2231 -20.5564 -20.5564 -20.4295 -20.4295 4.6078 4.6078 5.2771 5.2771 8.2638 8.2638 12.0405 12.0405 12.4985 12.4985 12.8327 12.8327 14.9291 14.9291 17.1796 17.1796 17.9466 17.9466 18.3121 18.3121 19.1998 19.1998 k =-0.2547 0.4444 0.5122 ( 2147 PWs) bands (ev): -58.7770 -58.7770 -30.2232 -30.2232 -20.5566 -20.5566 -20.4293 -20.4293 4.4853 4.4853 5.3809 5.3809 8.3747 8.3747 11.9675 11.9675 12.4777 12.4777 12.8383 12.8383 14.8792 14.8792 17.2002 17.2002 17.8528 17.8528 18.3012 18.3012 19.1825 19.1825 k =-0.2495 0.4353 0.5017 ( 2147 PWs) bands (ev): -58.7770 -58.7770 -30.2232 -30.2232 -20.5566 -20.5566 -20.4291 -20.4291 4.3616 4.3616 5.4871 5.4871 8.4895 8.4895 11.8927 11.8927 12.4585 12.4585 12.8471 12.8471 14.8256 14.8256 17.2074 17.2074 17.7674 17.7674 18.2907 18.2907 19.1718 19.1718 k =-0.2443 0.4262 0.4913 ( 2147 PWs) bands (ev): -58.7770 -58.7770 -30.2231 -30.2231 -20.5564 -20.5564 -20.4290 -20.4290 4.2375 4.2375 5.5954 5.5954 8.6074 8.6074 11.8166 11.8166 12.4411 12.4411 12.8591 12.8591 14.7688 14.7688 17.1993 17.1993 17.6914 17.6914 18.2808 18.2808 19.1673 19.1673 k =-0.2391 0.4171 0.4808 ( 2145 PWs) bands (ev): -58.7770 -58.7770 -30.2230 -30.2230 -20.5559 -20.5559 -20.4289 -20.4289 4.1135 4.1135 5.7056 5.7056 8.7276 8.7276 11.7397 11.7397 12.4253 12.4253 12.8743 12.8743 14.7090 14.7090 17.1753 17.1753 17.6250 17.6250 18.2726 18.2726 19.1688 19.1688 k =-0.2339 0.4081 0.4704 ( 2149 PWs) bands (ev): -58.7770 -58.7770 -30.2229 -30.2229 -20.5551 -20.5551 -20.4289 -20.4289 3.9902 3.9902 5.8175 5.8175 8.8494 8.8494 11.6625 11.6625 12.4112 12.4112 12.8927 12.8927 14.6467 14.6467 17.1361 17.1361 17.5665 17.5665 18.2672 18.2672 19.1757 19.1757 k =-0.2287 0.3990 0.4599 ( 2147 PWs) bands (ev): -58.7771 -58.7771 -30.2227 -30.2227 -20.5541 -20.5541 -20.4289 -20.4289 3.8677 3.8677 5.9311 5.9311 8.9720 8.9720 11.5858 11.5858 12.3987 12.3987 12.9142 12.9142 14.5821 14.5821 17.0850 17.0850 17.5124 17.5124 18.2656 18.2656 19.1875 19.1875 k =-0.2235 0.3899 0.4495 ( 2149 PWs) bands (ev): -58.7771 -58.7771 -30.2225 -30.2225 -20.5529 -20.5529 -20.4289 -20.4289 3.7465 3.7465 6.0464 6.0464 9.0946 9.0946 11.5101 11.5101 12.3877 12.3877 12.9387 12.9387 14.5156 14.5156 17.0258 17.0258 17.4592 17.4592 18.2686 18.2686 19.2039 19.2039 k =-0.2183 0.3809 0.4390 ( 2149 PWs) bands (ev): -58.7772 -58.7772 -30.2222 -30.2222 -20.5515 -20.5515 -20.4290 -20.4290 3.6268 3.6268 6.1631 6.1631 9.2162 9.2162 11.4364 11.4364 12.3782 12.3782 12.9664 12.9664 14.4475 14.4475 16.9619 16.9619 17.4039 17.4039 18.2766 18.2766 19.2244 19.2244 k =-0.2131 0.3718 0.4285 ( 2161 PWs) bands (ev): -58.7773 -58.7773 -30.2220 -30.2220 -20.5498 -20.5498 -20.4291 -20.4291 3.5086 3.5086 6.2812 6.2812 9.3357 9.3357 11.3656 11.3656 12.3702 12.3702 12.9971 12.9971 14.3782 14.3782 16.8961 16.8961 17.3453 17.3453 18.2894 18.2894 19.2485 19.2485 k =-0.2079 0.3627 0.4181 ( 2161 PWs) bands (ev): -58.7773 -58.7773 -30.2216 -30.2216 -20.5479 -20.5479 -20.4293 -20.4293 3.3923 3.3923 6.4007 6.4007 9.4516 9.4516 11.2991 11.2991 12.3636 12.3636 13.0308 13.0308 14.3080 14.3080 16.8303 16.8303 17.2829 17.2829 18.3067 18.3067 19.2758 19.2758 k =-0.2027 0.3537 0.4076 ( 2161 PWs) bands (ev): -58.7774 -58.7774 -30.2212 -30.2212 -20.5457 -20.5457 -20.4295 -20.4295 3.2779 3.2779 6.5214 6.5214 9.5623 9.5623 11.2385 11.2385 12.3583 12.3583 13.0675 13.0675 14.2372 14.2372 16.7656 16.7656 17.2174 17.2174 18.3279 18.3279 19.3060 19.3060 k =-0.1975 0.3446 0.3972 ( 2163 PWs) bands (ev): -58.7775 -58.7775 -30.2208 -30.2208 -20.5434 -20.5434 -20.4297 -20.4297 3.1655 3.1655 6.6433 6.6433 9.6653 9.6653 11.1859 11.1859 12.3542 12.3542 13.1071 13.1071 14.1662 14.1662 16.7030 16.7030 17.1497 17.1497 18.3523 18.3523 19.3386 19.3386 k =-0.1923 0.3355 0.3867 ( 2161 PWs) bands (ev): -58.7776 -58.7776 -30.2204 -30.2204 -20.5409 -20.5409 -20.4299 -20.4299 3.0553 3.0553 6.7662 6.7662 9.7577 9.7577 11.1440 11.1440 12.3513 12.3513 13.1495 13.1495 14.0952 14.0952 16.6429 16.6429 17.0810 17.0810 18.3793 18.3793 19.3733 19.3733 k =-0.1871 0.3265 0.3763 ( 2159 PWs) bands (ev): -58.7777 -58.7777 -30.2199 -30.2199 -20.5381 -20.5381 -20.4301 -20.4301 2.9473 2.9473 6.8901 6.8901 9.8363 9.8363 11.1159 11.1159 12.3494 12.3494 13.1947 13.1947 14.0245 14.0245 16.5860 16.5860 17.0126 17.0126 18.4082 18.4082 19.4098 19.4098 k =-0.1819 0.3174 0.3658 ( 2165 PWs) bands (ev): -58.7778 -58.7778 -30.2194 -30.2194 -20.5353 -20.5353 -20.4304 -20.4304 2.8417 2.8417 7.0147 7.0147 9.8973 9.8973 11.1051 11.1051 12.3486 12.3486 13.2426 13.2426 13.9545 13.9545 16.5323 16.5323 16.9456 16.9456 18.4387 18.4387 19.4478 19.4478 k =-0.1767 0.3083 0.3554 ( 2169 PWs) bands (ev): -58.7779 -58.7779 -30.2189 -30.2189 -20.5322 -20.5322 -20.4307 -20.4307 2.7384 2.7384 7.1401 7.1401 9.9380 9.9380 11.1138 11.1138 12.3488 12.3488 13.2927 13.2927 13.8857 13.8857 16.4823 16.4823 16.8814 16.8814 18.4702 18.4702 19.4868 19.4868 k =-0.1715 0.2993 0.3449 ( 2161 PWs) bands (ev): -58.7781 -58.7781 -30.2183 -30.2183 -20.5290 -20.5290 -20.4310 -20.4310 2.6376 2.6376 7.2660 7.2660 9.9574 9.9574 11.1429 11.1429 12.3498 12.3498 13.3448 13.3448 13.8188 13.8188 16.4361 16.4361 16.8209 16.8209 18.5023 18.5023 19.5267 19.5267 k =-0.1663 0.2902 0.3345 ( 2157 PWs) bands (ev): -58.7782 -58.7782 -30.2177 -30.2177 -20.5257 -20.5257 -20.4314 -20.4314 2.5393 2.5393 7.3924 7.3924 9.9567 9.9567 11.1907 11.1907 12.3516 12.3516 13.3975 13.3975 13.7549 13.7549 16.3939 16.3939 16.7652 16.7652 18.5348 18.5348 19.5672 19.5672 k =-0.1611 0.2811 0.3240 ( 2155 PWs) bands (ev): -58.7783 -58.7783 -30.2171 -30.2171 -20.5222 -20.5222 -20.4317 -20.4317 2.4435 2.4435 7.5190 7.5190 9.9390 9.9390 11.2535 11.2535 12.3541 12.3541 13.4478 13.4478 13.6975 13.6975 16.3562 16.3562 16.7153 16.7153 18.5674 18.5674 19.6081 19.6081 k =-0.1559 0.2721 0.3136 ( 2155 PWs) bands (ev): -58.7785 -58.7785 -30.2164 -30.2164 -20.5187 -20.5187 -20.4320 -20.4320 2.3504 2.3504 7.6456 7.6456 9.9080 9.9080 11.3272 11.3272 12.3573 12.3573 13.4846 13.4846 13.6576 13.6576 16.3230 16.3230 16.6719 16.6719 18.5999 18.5999 19.6491 19.6491 k =-0.1507 0.2630 0.3031 ( 2161 PWs) bands (ev): -58.7786 -58.7786 -30.2158 -30.2158 -20.5151 -20.5151 -20.4324 -20.4324 2.2599 2.2599 7.7722 7.7722 9.8672 9.8672 11.4078 11.4078 12.3612 12.3612 13.4826 13.4826 13.6608 13.6608 16.2950 16.2950 16.6357 16.6357 18.6319 18.6319 19.6899 19.6899 k =-0.1455 0.2539 0.2927 ( 2163 PWs) bands (ev): -58.7787 -58.7787 -30.2152 -30.2152 -20.5114 -20.5114 -20.4327 -20.4327 2.1721 2.1721 7.8984 7.8984 9.8196 9.8196 11.4916 11.4916 12.3656 12.3656 13.4433 13.4433 13.7056 13.7056 16.2724 16.2724 16.6073 16.6073 18.6635 18.6635 19.7304 19.7304 k =-0.1403 0.2448 0.2822 ( 2161 PWs) bands (ev): -58.7789 -58.7789 -30.2145 -30.2145 -20.5077 -20.5077 -20.4330 -20.4330 2.0871 2.0871 8.0241 8.0241 9.7675 9.7675 11.5760 11.5760 12.3705 12.3705 13.3910 13.3910 13.7677 13.7677 16.2557 16.2557 16.5870 16.5870 18.6944 18.6944 19.7704 19.7704 k =-0.1351 0.2358 0.2718 ( 2167 PWs) bands (ev): -58.7790 -58.7790 -30.2138 -30.2138 -20.5040 -20.5040 -20.4333 -20.4333 2.0048 2.0048 8.1491 8.1491 9.7124 9.7124 11.6588 11.6588 12.3760 12.3760 13.3356 13.3356 13.8374 13.8374 16.2454 16.2454 16.5754 16.5754 18.7244 18.7244 19.8097 19.8097 k =-0.1299 0.2267 0.2613 ( 2163 PWs) bands (ev): -58.7792 -58.7792 -30.2131 -30.2131 -20.5002 -20.5002 -20.4335 -20.4335 1.9254 1.9254 8.2731 8.2731 9.6557 9.6557 11.7381 11.7381 12.3818 12.3818 13.2801 13.2801 13.9118 13.9118 16.2418 16.2418 16.5728 16.5728 18.7535 18.7535 19.8481 19.8481 k =-0.1247 0.2176 0.2509 ( 2167 PWs) bands (ev): -58.7794 -58.7794 -30.2125 -30.2125 -20.4966 -20.4966 -20.4337 -20.4337 1.8488 1.8488 8.3959 8.3959 9.5983 9.5983 11.8127 11.8127 12.3881 12.3881 13.2256 13.2256 13.9896 13.9896 16.2450 16.2450 16.5796 16.5796 18.7816 18.7816 19.8854 19.8854 k =-0.1195 0.2086 0.2404 ( 2159 PWs) bands (ev): -58.7795 -58.7795 -30.2118 -30.2118 -20.4929 -20.4929 -20.4339 -20.4339 1.7751 1.7751 8.5171 8.5171 9.5409 9.5409 11.8815 11.8815 12.3947 12.3947 13.1727 13.1727 14.0705 14.0705 16.2549 16.2549 16.5963 16.5963 18.8085 18.8085 19.9214 19.9214 k =-0.1143 0.1995 0.2300 ( 2159 PWs) bands (ev): -58.7796 -58.7796 -30.2111 -30.2111 -20.4893 -20.4893 -20.4339 -20.4339 1.7042 1.7042 8.6365 8.6365 9.4840 9.4840 11.9440 11.9440 12.4015 12.4015 13.1217 13.1217 14.1542 14.1542 16.2712 16.2712 16.6234 16.6234 18.8343 18.8343 19.9560 19.9560 k =-0.1091 0.1904 0.2195 ( 2171 PWs) bands (ev): -58.7798 -58.7798 -30.2105 -30.2105 -20.4859 -20.4859 -20.4340 -20.4340 1.6364 1.6364 8.7538 8.7538 9.4280 9.4280 11.9997 11.9997 12.4084 12.4084 13.0727 13.0727 14.2403 14.2403 16.2935 16.2935 16.6613 16.6613 18.8587 18.8587 19.9886 19.9886 k =-0.1040 0.1814 0.2090 ( 2167 PWs) bands (ev): -58.7799 -58.7799 -30.2098 -30.2098 -20.4826 -20.4826 -20.4339 -20.4339 1.5715 1.5715 8.8687 8.8687 9.3733 9.3733 12.0486 12.0486 12.4152 12.4152 13.0261 13.0261 14.3286 14.3286 16.3212 16.3212 16.7105 16.7105 18.8819 18.8819 20.0190 20.0190 k =-0.0988 0.1723 0.1986 ( 2163 PWs) bands (ev): -58.7801 -58.7801 -30.2091 -30.2091 -20.4795 -20.4795 -20.4337 -20.4337 1.5095 1.5095 8.9808 8.9808 9.3203 9.3203 12.0908 12.0908 12.4216 12.4216 12.9820 12.9820 14.4191 14.4191 16.3534 16.3534 16.7712 16.7712 18.9036 18.9036 20.0460 20.0460 k =-0.0936 0.1632 0.1881 ( 2169 PWs) bands (ev): -58.7802 -58.7802 -30.2085 -30.2085 -20.4765 -20.4765 -20.4333 -20.4333 1.4506 1.4506 9.0898 9.0898 9.2690 9.2690 12.1268 12.1268 12.4273 12.4273 12.9405 12.9405 14.5114 14.5114 16.3896 16.3896 16.8432 16.8432 18.9240 18.9240 20.0668 20.0668 k =-0.0884 0.1542 0.1777 ( 2169 PWs) bands (ev): -58.7804 -58.7804 -30.2079 -30.2079 -20.4738 -20.4738 -20.4329 -20.4329 1.3948 1.3948 9.1953 9.1953 9.2198 9.2198 12.1570 12.1570 12.4322 12.4322 12.9016 12.9016 14.6053 14.6053 16.4292 16.4292 16.9262 16.9262 18.9428 18.9428 20.0683 20.0683 k =-0.0832 0.1451 0.1672 ( 2165 PWs) bands (ev): -58.7805 -58.7805 -30.2073 -30.2073 -20.4713 -20.4713 -20.4322 -20.4322 1.3420 1.3420 9.1726 9.1726 9.2971 9.2971 12.1822 12.1822 12.4359 12.4359 12.8657 12.8657 14.7007 14.7007 16.4717 16.4717 17.0195 17.0195 18.9602 18.9602 20.0151 20.0151 k =-0.0780 0.1360 0.1568 ( 2163 PWs) bands (ev): -58.7806 -58.7806 -30.2067 -30.2067 -20.4691 -20.4691 -20.4315 -20.4315 1.2923 1.2923 9.1278 9.1278 9.3947 9.3947 12.2030 12.2030 12.4382 12.4382 12.8328 12.8328 14.7971 14.7971 16.5167 16.5167 17.1221 17.1221 18.9760 18.9760 19.9297 19.9297 k =-0.0728 0.1270 0.1463 ( 2167 PWs) bands (ev): -58.7808 -58.7808 -30.2062 -30.2062 -20.4672 -20.4672 -20.4306 -20.4306 1.2457 1.2457 9.0854 9.0854 9.4877 9.4877 12.2198 12.2198 12.4392 12.4392 12.8029 12.8029 14.8943 14.8943 16.5638 16.5638 17.2327 17.2327 18.9903 18.9903 19.8321 19.8321 k =-0.0676 0.1179 0.1359 ( 2167 PWs) bands (ev): -58.7809 -58.7809 -30.2057 -30.2057 -20.4656 -20.4656 -20.4295 -20.4295 1.2022 1.2022 9.0455 9.0455 9.5758 9.5758 12.2334 12.2334 12.4387 12.4387 12.7763 12.7763 14.9919 14.9919 16.6126 16.6126 17.3499 17.3499 19.0030 19.0030 19.7246 19.7246 k =-0.0624 0.1088 0.1254 ( 2167 PWs) bands (ev): -58.7810 -58.7810 -30.2052 -30.2052 -20.4642 -20.4642 -20.4283 -20.4283 1.1618 1.1618 9.0082 9.0082 9.6587 9.6587 12.2440 12.2440 12.4370 12.4370 12.7529 12.7529 15.0894 15.0894 16.6623 16.6623 17.4723 17.4723 19.0141 19.0141 19.6098 19.6098 k =-0.0572 0.0998 0.1150 ( 2167 PWs) bands (ev): -58.7811 -58.7811 -30.2047 -30.2047 -20.4630 -20.4630 -20.4271 -20.4271 1.1247 1.1247 8.9737 8.9737 9.7361 9.7361 12.2522 12.2522 12.4341 12.4341 12.7327 12.7327 15.1864 15.1864 16.7124 16.7124 17.5981 17.5981 19.0237 19.0237 19.4921 19.4921 k =-0.0520 0.0907 0.1045 ( 2165 PWs) bands (ev): -58.7812 -58.7812 -30.2043 -30.2043 -20.4621 -20.4621 -20.4258 -20.4258 1.0907 1.0907 8.9419 8.9419 9.8077 9.8077 12.2582 12.2582 12.4303 12.4303 12.7157 12.7157 15.2821 15.2821 16.7622 16.7622 17.7252 17.7252 19.0316 19.0316 19.3757 19.3757 k =-0.0468 0.0816 0.0941 ( 2173 PWs) bands (ev): -58.7813 -58.7813 -30.2039 -30.2039 -20.4613 -20.4613 -20.4245 -20.4245 1.0599 1.0599 8.9130 8.9130 9.8732 9.8732 12.2623 12.2623 12.4259 12.4259 12.7018 12.7018 15.3757 15.3757 16.8106 16.8106 17.8514 17.8514 19.0375 19.0375 19.2646 19.2646 k =-0.0416 0.0725 0.0836 ( 2159 PWs) bands (ev): -58.7813 -58.7813 -30.2035 -30.2035 -20.4607 -20.4607 -20.4233 -20.4233 1.0323 1.0323 8.8870 8.8870 9.9323 9.9323 12.2648 12.2648 12.4211 12.4211 12.6906 12.6906 15.4664 15.4664 16.8568 16.8568 17.9739 17.9739 19.0395 19.0395 19.1639 19.1639 k =-0.0364 0.0635 0.0732 ( 2159 PWs) bands (ev): -58.7814 -58.7814 -30.2032 -30.2032 -20.4602 -20.4602 -20.4221 -20.4221 1.0079 1.0079 8.8639 8.8639 9.9850 9.9850 12.2661 12.2661 12.4162 12.4162 12.6820 12.6820 15.5529 15.5529 16.8997 16.8997 18.0894 18.0894 19.0242 19.0242 19.0903 19.0903 k =-0.0312 0.0544 0.0627 ( 2159 PWs) bands (ev): -58.7815 -58.7815 -30.2029 -30.2029 -20.4598 -20.4598 -20.4210 -20.4210 0.9867 0.9867 8.8438 8.8438 10.0309 10.0309 12.2665 12.2665 12.4114 12.4114 12.6755 12.6755 15.6338 15.6338 16.9381 16.9381 18.1937 18.1937 18.9677 18.9677 19.0713 19.0713 k =-0.0260 0.0453 0.0523 ( 2159 PWs) bands (ev): -58.7815 -58.7815 -30.2027 -30.2027 -20.4596 -20.4596 -20.4200 -20.4200 0.9688 0.9688 8.8268 8.8268 10.0699 10.0699 12.2661 12.2661 12.4070 12.4070 12.6709 12.6709 15.7074 15.7074 16.9713 16.9713 18.2816 18.2816 18.9100 18.9100 19.0707 19.0707 k =-0.0208 0.0363 0.0418 ( 2155 PWs) bands (ev): -58.7816 -58.7816 -30.2025 -30.2025 -20.4593 -20.4593 -20.4192 -20.4192 0.9541 0.9541 8.8128 8.8128 10.1020 10.1020 12.2655 12.2655 12.4031 12.4031 12.6677 12.6677 15.7719 15.7719 16.9985 16.9985 18.3478 18.3478 18.8708 18.8708 19.0727 19.0727 k =-0.0156 0.0272 0.0314 ( 2151 PWs) bands (ev): -58.7816 -58.7816 -30.2023 -30.2023 -20.4592 -20.4592 -20.4185 -20.4185 0.9427 0.9427 8.8019 8.8019 10.1270 10.1270 12.2646 12.2646 12.4000 12.4000 12.6656 12.6656 15.8252 15.8252 17.0193 17.0193 18.3896 18.3896 18.8531 18.8531 19.0748 19.0748 k =-0.0104 0.0181 0.0209 ( 2155 PWs) bands (ev): -58.7816 -58.7816 -30.2022 -30.2022 -20.4591 -20.4591 -20.4181 -20.4181 0.9346 0.9346 8.7941 8.7941 10.1450 10.1450 12.2639 12.2639 12.3976 12.3976 12.6643 12.6643 15.8652 15.8652 17.0339 17.0339 18.4101 18.4101 18.8520 18.8520 19.0765 19.0765 k =-0.0052 0.0091 0.0105 ( 2155 PWs) bands (ev): -58.7816 -58.7816 -30.2022 -30.2022 -20.4590 -20.4590 -20.4178 -20.4178 0.9297 0.9297 8.7894 8.7894 10.1557 10.1557 12.2634 12.2634 12.3962 12.3962 12.6636 12.6636 15.8900 15.8900 17.0424 17.0424 18.4176 18.4176 18.8573 18.8573 19.0776 19.0776 k = 0.0000 0.0000 0.0000 ( 2147 PWs) bands (ev): -58.7816 -58.7816 -30.2021 -30.2021 -20.4590 -20.4590 -20.4176 -20.4176 0.9280 0.9280 8.7878 8.7878 10.1593 10.1593 12.2632 12.2632 12.3957 12.3957 12.6634 12.6634 15.8984 15.8984 17.0452 17.0452 18.4191 18.4191 18.8601 18.8601 19.0779 19.0779 k = 0.0000 0.0000 0.0000 ( 2147 PWs) bands (ev): -58.7816 -58.7816 -30.2021 -30.2021 -20.4590 -20.4590 -20.4176 -20.4176 0.9280 0.9280 8.7878 8.7878 10.1593 10.1593 12.2632 12.2632 12.3957 12.3957 12.6634 12.6634 15.8984 15.8984 17.0452 17.0452 18.4191 18.4191 18.8601 18.8601 19.0779 19.0779 k = 0.0128 0.0073 0.0000 ( 2147 PWs) bands (ev): -58.7816 -58.7816 -30.2021 -30.2021 -20.4590 -20.4590 -20.4176 -20.4176 0.9297 0.9297 8.7662 8.7662 10.1821 10.1821 12.2629 12.2629 12.3970 12.3970 12.6646 12.6646 15.8985 15.8985 17.0288 17.0288 18.4069 18.4069 18.8497 18.8497 19.0973 19.0973 k = 0.0256 0.0147-0.0000 ( 2155 PWs) bands (ev): -58.7817 -58.7817 -30.2021 -30.2021 -20.4591 -20.4591 -20.4177 -20.4177 0.9348 0.9348 8.7051 8.7051 10.2466 10.2466 12.2619 12.2619 12.4009 12.4009 12.6682 12.6682 15.8988 15.8988 16.9813 16.9813 18.3720 18.3720 18.8189 18.8189 19.1524 19.1524 k = 0.0385 0.0220-0.0000 ( 2155 PWs) bands (ev): -58.7817 -58.7817 -30.2022 -30.2022 -20.4592 -20.4592 -20.4177 -20.4177 0.9431 0.9431 8.6134 8.6134 10.3440 10.3440 12.2601 12.2601 12.4074 12.4074 12.6742 12.6742 15.8992 15.8992 16.9074 16.9074 18.3183 18.3183 18.7699 18.7699 19.2363 19.2363 k = 0.0513 0.0294-0.0000 ( 2155 PWs) bands (ev): -58.7816 -58.7816 -30.2022 -30.2022 -20.4594 -20.4594 -20.4177 -20.4177 0.9549 0.9549 8.5003 8.5003 10.4649 10.4649 12.2577 12.2577 12.4166 12.4166 12.6826 12.6826 15.8998 15.8998 16.8129 16.8129 18.2496 18.2496 18.7052 18.7052 19.3415 19.3415 k = 0.0641 0.0367-0.0000 ( 2155 PWs) bands (ev): -58.7816 -58.7816 -30.2022 -30.2022 -20.4595 -20.4595 -20.4178 -20.4178 0.9699 0.9699 8.3730 8.3730 10.6020 10.6020 12.2545 12.2545 12.4283 12.4283 12.6936 12.6936 15.9006 15.9006 16.7036 16.7036 18.1690 18.1690 18.6275 18.6275 19.4612 19.4612 k = 0.0769 0.0441-0.0000 ( 2155 PWs) bands (ev): -58.7816 -58.7816 -30.2022 -30.2022 -20.4598 -20.4598 -20.4178 -20.4178 0.9883 0.9883 8.2365 8.2365 10.7502 10.7502 12.2506 12.2506 12.4427 12.4427 12.7072 12.7072 15.9015 15.9015 16.5844 16.5844 18.0791 18.0791 18.5393 18.5393 19.5899 19.5899 k = 0.0897 0.0514-0.0000 ( 2155 PWs) bands (ev): -58.7816 -58.7816 -30.2022 -30.2022 -20.4600 -20.4600 -20.4178 -20.4178 1.0100 1.0100 8.0939 8.0939 10.9062 10.9062 12.2458 12.2458 12.4596 12.4596 12.7235 12.7235 15.9025 15.9025 16.4593 16.4593 17.9818 17.9818 18.4429 18.4429 19.7232 19.7232 k = 0.1026 0.0588-0.0000 ( 2163 PWs) bands (ev): -58.7817 -58.7817 -30.2023 -30.2023 -20.4603 -20.4603 -20.4179 -20.4179 1.0350 1.0350 7.9475 7.9475 11.0674 11.0674 12.2402 12.2402 12.4792 12.4792 12.7424 12.7424 15.9037 15.9037 16.3314 16.3314 17.8786 17.8786 18.3399 18.3399 19.8576 19.8576 k = 0.1154 0.0661-0.0000 ( 2171 PWs) bands (ev): -58.7817 -58.7817 -30.2024 -30.2024 -20.4607 -20.4607 -20.4179 -20.4179 1.0632 1.0632 7.7986 7.7986 11.2320 11.2320 12.2338 12.2338 12.5014 12.5014 12.7642 12.7642 15.9050 15.9050 16.2035 16.2035 17.7708 17.7708 18.2318 18.2318 19.9903 19.9903 k = 0.1282 0.0735 0.0000 ( 2175 PWs) bands (ev): -58.7817 -58.7817 -30.2024 -30.2024 -20.4611 -20.4611 -20.4180 -20.4180 1.0947 1.0947 7.6484 7.6484 11.3987 11.3987 12.2266 12.2266 12.5262 12.5262 12.7887 12.7887 15.9064 15.9064 16.0774 16.0774 17.6594 17.6594 18.1197 18.1197 20.0239 20.0239 k = 0.1410 0.0808-0.0000 ( 2175 PWs) bands (ev): -58.7817 -58.7817 -30.2025 -30.2025 -20.4615 -20.4615 -20.4181 -20.4181 1.1293 1.1293 7.4974 7.4974 11.5661 11.5661 12.2187 12.2187 12.5536 12.5536 12.8160 12.8160 15.9079 15.9079 15.9552 15.9552 17.5451 17.5451 18.0043 18.0043 20.0809 20.0809 k = 0.1538 0.0882 0.0000 ( 2183 PWs) bands (ev): -58.7817 -58.7817 -30.2026 -30.2026 -20.4619 -20.4619 -20.4181 -20.4181 1.1672 1.1672 7.3462 7.3462 11.7332 11.7332 12.2101 12.2101 12.5836 12.5836 12.8462 12.8462 15.8383 15.8383 15.9095 15.9095 17.4288 17.4288 17.8865 17.8865 20.1426 20.3554 k = 0.1667 0.0955 0.0000 ( 2183 PWs) bands (ev): -58.7817 -58.7817 -30.2026 -30.2026 -20.4624 -20.4624 -20.4182 -20.4182 1.2081 1.2081 7.1951 7.1951 11.8984 11.8984 12.2008 12.2008 12.6164 12.6164 12.8793 12.8793 15.7286 15.7286 15.9110 15.9110 17.3107 17.3107 17.7668 17.7668 20.2091 20.2091 k = 0.1795 0.1029-0.0000 ( 2183 PWs) bands (ev): -58.7817 -58.7817 -30.2027 -30.2027 -20.4628 -20.4628 -20.4183 -20.4183 1.2522 1.2522 7.0445 7.0445 12.0605 12.0605 12.1910 12.1910 12.6519 12.6519 12.9151 12.9151 15.6276 15.6276 15.9126 15.9126 17.1915 17.1915 17.6457 17.6457 20.2802 20.2802 k = 0.1923 0.1102 0.0000 ( 2175 PWs) bands (ev): -58.7816 -58.7816 -30.2027 -30.2027 -20.4633 -20.4633 -20.4183 -20.4183 1.2992 1.2992 6.8945 6.8945 12.1807 12.1807 12.2177 12.2177 12.6905 12.6905 12.9538 12.9538 15.5372 15.5372 15.9141 15.9141 17.0715 17.0715 17.5236 17.5236 20.3556 20.3556 k = 0.2051 0.1176 0.0000 ( 2175 PWs) bands (ev): -58.7816 -58.7816 -30.2027 -30.2027 -20.4638 -20.4638 -20.4184 -20.4184 1.3493 1.3493 6.7455 6.7455 12.1700 12.1700 12.3676 12.3676 12.7323 12.7323 12.9953 12.9953 15.4596 15.4596 15.9156 15.9156 16.9509 16.9509 17.4009 17.4009 20.4352 20.4352 k = 0.2179 0.1249-0.0000 ( 2179 PWs) bands (ev): -58.7816 -58.7816 -30.2028 -30.2028 -20.4643 -20.4643 -20.4184 -20.4184 1.4023 1.4023 6.5974 6.5974 12.1590 12.1590 12.5074 12.5074 12.7783 12.7783 13.0396 13.0396 15.3969 15.3969 15.9168 15.9168 16.8301 16.8301 17.2779 17.2779 20.5188 20.5188 k = 0.2308 0.1323 0.0000 ( 2178 PWs) bands (ev): -58.7816 -58.7816 -30.2029 -30.2029 -20.4648 -20.4648 -20.4185 -20.4185 1.4581 1.4581 6.4505 6.4505 12.1478 12.1478 12.6332 12.6332 12.8298 12.8298 13.0866 13.0866 15.3517 15.3517 15.9179 15.9179 16.7093 16.7093 17.1549 17.1549 20.6062 20.6062 k = 0.2436 0.1396-0.0000 ( 2186 PWs) bands (ev): -58.7817 -58.7817 -30.2030 -30.2030 -20.4654 -20.4654 -20.4186 -20.4186 1.5167 1.5167 6.3049 6.3049 12.1365 12.1365 12.7398 12.7398 12.8895 12.8895 13.1364 13.1364 15.3267 15.3267 15.9186 15.9186 16.5887 16.5887 17.0322 17.0322 20.6971 20.6971 k = 0.2564 0.1470 0.0000 ( 2178 PWs) bands (ev): -58.7816 -58.7816 -30.2030 -30.2030 -20.4659 -20.4659 -20.4187 -20.4187 1.5779 1.5779 6.1608 6.1608 12.1251 12.1251 12.8241 12.8241 12.9579 12.9579 13.1888 13.1888 15.3246 15.3246 15.9187 15.9187 16.4685 16.4685 16.9102 16.9102 20.8163 20.8163 k = 0.2692 0.1543 0.0000 ( 2186 PWs) bands (ev): -58.7816 -58.7816 -30.2031 -30.2031 -20.4664 -20.4664 -20.4187 -20.4187 1.6417 1.6417 6.0182 6.0182 12.1138 12.1138 12.8901 12.8901 13.0289 13.0289 13.2439 13.2439 15.3471 15.3471 15.9182 15.9182 16.3490 16.3490 16.7893 16.7893 20.8097 20.8097 k = 0.2821 0.1617-0.0000 ( 2190 PWs) bands (ev): -58.7816 -58.7816 -30.2031 -30.2031 -20.4669 -20.4669 -20.4188 -20.4188 1.7080 1.7080 5.8774 5.8774 12.1026 12.1026 12.9450 12.9450 13.0944 13.0944 13.3017 13.3017 15.3953 15.3953 15.9165 15.9165 16.2302 16.2302 16.6700 16.6700 20.7896 20.7896 k = 0.2949 0.1690-0.0000 ( 2190 PWs) bands (ev): -58.7816 -58.7816 -30.2032 -30.2032 -20.4674 -20.4674 -20.4189 -20.4189 1.7766 1.7766 5.7385 5.7385 12.0916 12.0916 12.9916 12.9916 13.1517 13.1517 13.3620 13.3620 15.4689 15.4689 15.9130 15.9130 16.1126 16.1126 16.5530 16.5530 20.7564 20.7564 k = 0.3077 0.1764-0.0000 ( 2182 PWs) bands (ev): -58.7816 -58.7816 -30.2032 -30.2032 -20.4679 -20.4679 -20.4190 -20.4190 1.8473 1.8473 5.6016 5.6016 12.0809 12.0809 13.0292 13.0292 13.2029 13.2029 13.4249 13.4249 15.5659 15.5659 15.9068 15.9068 15.9966 15.9966 16.4396 16.4396 20.7101 20.7101 k = 0.3205 0.1837 0.0000 ( 2182 PWs) bands (ev): -58.7816 -58.7816 -30.2033 -30.2033 -20.4684 -20.4684 -20.4190 -20.4190 1.9199 1.9199 5.4670 5.4670 12.0705 12.0705 13.0553 13.0553 13.2527 13.2527 13.4903 13.4903 15.6814 15.6814 15.8847 15.8847 15.8958 15.8958 16.3318 16.3318 20.6510 20.6510 k = 0.3333 0.1910 0.0000 ( 2182 PWs) bands (ev): -58.7816 -58.7816 -30.2033 -30.2033 -20.4688 -20.4688 -20.4191 -20.4191 1.9943 1.9943 5.3350 5.3350 12.0606 12.0606 13.0687 13.0687 13.3053 13.3053 13.5581 13.5581 15.7443 15.7443 15.8453 15.8453 15.8762 15.8762 16.2336 16.2336 20.5791 20.5791 k = 0.3462 0.1984 0.0000 ( 2182 PWs) bands (ev): -58.7816 -58.7816 -30.2034 -30.2034 -20.4693 -20.4693 -20.4192 -20.4192 2.0701 2.0701 5.2058 5.2058 12.0512 12.0512 13.0705 13.0705 13.3623 13.3623 13.6284 13.6284 15.6445 15.6445 15.8417 15.8417 15.9851 15.9851 16.1514 16.1514 20.4945 20.4945 k = 0.3590 0.2057-0.0000 ( 2162 PWs) bands (ev): -58.7816 -58.7816 -30.2034 -30.2034 -20.4696 -20.4696 -20.4192 -20.4192 2.1469 2.1469 5.0797 5.0797 12.0423 12.0423 13.0634 13.0634 13.4237 13.4237 13.7009 13.7009 15.5349 15.5349 15.7858 15.7858 16.0918 16.0918 16.1488 16.1488 20.3975 20.3975 k = 0.3718 0.2131-0.0000 ( 2166 PWs) bands (ev): -58.7816 -58.7816 -30.2034 -30.2034 -20.4700 -20.4700 -20.4192 -20.4192 2.2244 2.2244 4.9574 4.9574 12.0340 12.0340 13.0503 13.0503 13.4886 13.4886 13.7757 13.7757 15.4258 15.4258 15.7086 15.7086 16.0548 16.0548 16.3233 16.3233 20.2884 20.2884 k = 0.3846 0.2204 0.0000 ( 2166 PWs) bands (ev): -58.7816 -58.7816 -30.2035 -30.2035 -20.4704 -20.4704 -20.4193 -20.4193 2.3018 2.3018 4.8392 4.8392 12.0263 12.0263 13.0335 13.0335 13.5564 13.5564 13.8527 13.8527 15.3183 15.3183 15.6172 15.6172 16.0336 16.0336 16.5052 16.5052 20.1681 20.1681 k = 0.3974 0.2278 0.0000 ( 2158 PWs) bands (ev): -58.7816 -58.7816 -30.2035 -30.2035 -20.4707 -20.4707 -20.4193 -20.4193 2.3786 2.3786 4.7260 4.7260 12.0193 12.0193 13.0150 13.0150 13.6265 13.6265 13.9316 13.9316 15.2130 15.2130 15.5185 15.5185 16.0213 16.0213 16.6921 16.6921 20.0374 20.0374 k = 0.4103 0.2351-0.0000 ( 2158 PWs) bands (ev): -58.7816 -58.7816 -30.2035 -30.2035 -20.4710 -20.4710 -20.4194 -20.4194 2.4538 2.4538 4.6187 4.6187 12.0131 12.0131 12.9961 12.9961 13.6984 13.6984 14.0124 14.0124 15.1103 15.1103 15.4168 15.4168 16.0140 16.0140 16.8816 16.8816 19.8979 19.8979 k = 0.4231 0.2425-0.0000 ( 2162 PWs) bands (ev): -58.7816 -58.7816 -30.2035 -30.2035 -20.4713 -20.4713 -20.4194 -20.4194 2.5261 2.5261 4.5186 4.5186 12.0076 12.0076 12.9781 12.9781 13.7712 13.7712 14.0947 14.0947 15.0108 15.0108 15.3144 15.3144 16.0094 16.0094 17.0712 17.0712 19.7516 19.7516 k = 0.4359 0.2498-0.0000 ( 2170 PWs) bands (ev): -58.7816 -58.7816 -30.2036 -30.2036 -20.4715 -20.4715 -20.4194 -20.4194 2.5939 2.5939 4.4272 4.4272 12.0029 12.0029 12.9617 12.9617 13.8441 13.8441 14.1780 14.1780 14.9155 14.9155 15.2131 15.2131 16.0065 16.0065 17.2578 17.2578 19.6013 19.6013 k = 0.4487 0.2572 0.0000 ( 2178 PWs) bands (ev): -58.7816 -58.7816 -30.2037 -30.2037 -20.4717 -20.4717 -20.4195 -20.4195 2.6552 2.6552 4.3466 4.3466 11.9990 11.9990 12.9476 12.9476 13.9156 13.9156 14.2616 14.2616 14.8256 14.8256 15.1143 15.1143 16.0046 16.0046 17.4372 17.4372 19.4514 19.4514 k = 0.4615 0.2645 0.0000 ( 2178 PWs) bands (ev): -58.7816 -58.7816 -30.2037 -30.2037 -20.4719 -20.4719 -20.4195 -20.4195 2.7074 2.7074 4.2794 4.2794 11.9960 11.9960 12.9361 12.9361 13.9831 13.9831 14.3438 14.3438 14.7438 14.7438 15.0200 15.0200 16.0034 16.0034 17.6028 17.6028 19.3084 19.3084 k = 0.4744 0.2719-0.0000 ( 2182 PWs) bands (ev): -58.7816 -58.7816 -30.2037 -30.2037 -20.4720 -20.4720 -20.4195 -20.4195 2.7477 2.7477 4.2283 4.2283 11.9938 11.9938 12.9277 12.9277 14.0422 14.0422 14.4209 14.4209 14.6746 14.6746 14.9341 14.9341 16.0027 16.0027 17.7439 17.7439 19.1834 19.1834 k = 0.4872 0.2792-0.0000 ( 2182 PWs) bands (ev): -58.7816 -58.7816 -30.2037 -30.2037 -20.4721 -20.4721 -20.4195 -20.4195 2.7734 2.7734 4.1962 4.1962 11.9925 11.9925 12.9226 12.9226 14.0849 14.0849 14.4833 14.4833 14.6257 14.6257 14.8664 14.8664 16.0023 16.0023 17.8433 17.8433 19.0936 19.0936 k = 0.5000 0.2866 0.0000 ( 2178 PWs) bands (ev): -58.7816 -58.7816 -30.2037 -30.2037 -20.4721 -20.4721 -20.4195 -20.4195 2.7822 2.7822 4.1853 4.1853 11.9920 11.9920 12.9209 12.9209 14.1010 14.1010 14.5097 14.5097 14.6076 14.6076 14.8382 14.8382 16.0022 16.0022 17.8800 17.8800 19.0600 19.0600 k = 0.5000 0.2866 0.0000 ( 2178 PWs) bands (ev): -58.7816 -58.7816 -30.2037 -30.2037 -20.4721 -20.4721 -20.4195 -20.4195 2.7822 2.7822 4.1853 4.1853 11.9920 11.9920 12.9209 12.9209 14.1010 14.1010 14.5097 14.5097 14.6076 14.6076 14.8382 14.8382 16.0022 16.0022 17.8800 17.8800 19.0600 19.0600 k = 0.4948 0.2957 0.0105 ( 2180 PWs) bands (ev): -58.7816 -58.7816 -30.2037 -30.2037 -20.4721 -20.4721 -20.4196 -20.4196 2.7834 2.7834 4.1870 4.1870 11.9894 11.9894 12.9111 12.9111 14.1016 14.1016 14.5056 14.5056 14.6115 14.6115 14.8374 14.8374 16.0059 16.0059 17.8878 17.8878 19.0640 19.0640 k = 0.4896 0.3048 0.0210 ( 2176 PWs) bands (ev): -58.7816 -58.7816 -30.2038 -30.2038 -20.4721 -20.4721 -20.4199 -20.4199 2.7870 2.7870 4.1923 4.1923 11.9809 11.9809 12.8827 12.8827 14.1028 14.1028 14.4948 14.4948 14.6217 14.6217 14.8353 14.8353 16.0169 16.0169 17.9108 17.9108 19.0758 19.0758 k = 0.4843 0.3139 0.0315 ( 2176 PWs) bands (ev): -58.7816 -58.7816 -30.2039 -30.2039 -20.4722 -20.4722 -20.4204 -20.4204 2.7930 2.7930 4.2012 4.2012 11.9655 11.9655 12.8390 12.8390 14.1028 14.1028 14.4798 14.4798 14.6359 14.6359 14.8321 14.8321 16.0350 16.0350 17.9486 17.9486 19.0953 19.0953 k = 0.4791 0.3230 0.0420 ( 2180 PWs) bands (ev): -58.7815 -58.7815 -30.2040 -30.2040 -20.4723 -20.4723 -20.4210 -20.4210 2.8014 2.8014 4.2135 4.2135 11.9410 11.9410 12.7848 12.7848 14.0996 14.0996 14.4625 14.4625 14.6525 14.6525 14.8284 14.8284 16.0599 16.0599 18.0001 18.0001 19.1224 19.1224 k = 0.4739 0.3321 0.0525 ( 2176 PWs) bands (ev): -58.7815 -58.7815 -30.2042 -30.2042 -20.4724 -20.4724 -20.4219 -20.4219 2.8122 2.8122 4.2293 4.2293 11.9045 11.9045 12.7260 12.7260 14.0911 14.0911 14.4437 14.4437 14.6707 14.6707 14.8253 14.8253 16.0913 16.0913 18.0639 18.0639 19.1567 19.1567 k = 0.4687 0.3413 0.0630 ( 2172 PWs) bands (ev): -58.7814 -58.7814 -30.2044 -30.2044 -20.4726 -20.4726 -20.4228 -20.4228 2.8254 2.8254 4.2486 4.2486 11.8525 11.8525 12.6688 12.6688 14.0761 14.0761 14.4233 14.4233 14.6898 14.6898 14.8239 14.8239 16.1286 16.1286 18.1387 18.1387 19.1978 19.1978 k = 0.4634 0.3504 0.0735 ( 2170 PWs) bands (ev): -58.7814 -58.7814 -30.2047 -30.2047 -20.4728 -20.4728 -20.4239 -20.4239 2.8410 2.8410 4.2713 4.2713 11.7820 11.7820 12.6187 12.6187 14.0542 14.0542 14.4008 14.4008 14.7091 14.7091 14.8258 14.8258 16.1715 16.1715 18.2227 18.2227 19.2453 19.2453 k = 0.4582 0.3595 0.0840 ( 2170 PWs) bands (ev): -58.7813 -58.7813 -30.2050 -30.2050 -20.4731 -20.4731 -20.4251 -20.4251 2.8590 2.8590 4.2974 4.2974 11.6916 11.6916 12.5793 12.5793 14.0257 14.0257 14.3750 14.3750 14.7280 14.7280 14.8326 14.8326 16.2194 16.2194 18.3143 18.3143 19.2989 19.2989 k = 0.4530 0.3686 0.0945 ( 2166 PWs) bands (ev): -58.7812 -58.7812 -30.2053 -30.2053 -20.4735 -20.4735 -20.4265 -20.4265 2.8794 2.8794 4.3268 4.3268 11.5820 11.5820 12.5519 12.5519 13.9915 13.9915 14.3452 14.3452 14.7459 14.7459 14.8454 14.8454 16.2719 16.2719 18.4118 18.4118 19.3580 19.3580 k = 0.4478 0.3777 0.1050 ( 2166 PWs) bands (ev): -58.7811 -58.7811 -30.2057 -30.2057 -20.4741 -20.4741 -20.4278 -20.4278 2.9022 2.9022 4.3596 4.3596 11.4554 11.4554 12.5354 12.5354 13.9525 13.9525 14.3108 14.3108 14.7628 14.7628 14.8644 14.8644 16.3287 16.3287 18.5136 18.5136 19.4222 19.4222 k = 0.4425 0.3868 0.1155 ( 2166 PWs) bands (ev): -58.7810 -58.7810 -30.2061 -30.2061 -20.4748 -20.4748 -20.4292 -20.4292 2.9274 2.9274 4.3955 4.3955 11.3149 11.3149 12.5283 12.5283 13.9098 13.9098 14.2716 14.2716 14.7794 14.7794 14.8891 14.8891 16.3892 16.3892 18.6184 18.6184 19.4911 19.4911 k = 0.4373 0.3959 0.1261 ( 2162 PWs) bands (ev): -58.7809 -58.7809 -30.2065 -30.2065 -20.4756 -20.4756 -20.4306 -20.4306 2.9550 2.9550 4.4346 4.4346 11.1633 11.1633 12.5286 12.5286 13.8642 13.8642 14.2279 14.2279 14.7965 14.7965 14.9185 14.9185 16.4533 16.4533 18.7249 18.7249 19.5642 19.5642 k = 0.4321 0.4050 0.1366 ( 2158 PWs) bands (ev): -58.7808 -58.7808 -30.2070 -30.2070 -20.4766 -20.4766 -20.4320 -20.4320 2.9849 2.9849 4.4768 4.4768 11.0033 11.0033 12.5345 12.5345 13.8164 13.8164 14.1800 14.1800 14.8145 14.8145 14.9520 14.9520 16.5207 16.5207 18.8320 18.8320 19.6411 19.6411 k = 0.4269 0.4142 0.1471 ( 2160 PWs) bands (ev): -58.7807 -58.7807 -30.2075 -30.2075 -20.4778 -20.4778 -20.4333 -20.4333 3.0173 3.0173 4.5219 4.5219 10.8368 10.8368 12.5448 12.5448 13.7670 13.7670 14.1287 14.1287 14.8336 14.8336 14.9891 14.9891 16.5910 16.5910 18.9387 18.9387 19.7215 19.7215 k = 0.4216 0.4233 0.1576 ( 2156 PWs) bands (ev): -58.7806 -58.7806 -30.2080 -30.2080 -20.4793 -20.4793 -20.4344 -20.4344 3.0520 3.0520 4.5699 4.5699 10.6656 10.6656 12.5581 12.5581 13.7166 13.7166 14.0744 14.0744 14.8538 14.8538 15.0294 15.0294 16.6641 16.6641 19.0444 19.0444 19.8049 19.8049 k = 0.4164 0.4324 0.1681 ( 2164 PWs) bands (ev): -58.7804 -58.7804 -30.2086 -30.2086 -20.4810 -20.4810 -20.4355 -20.4355 3.0892 3.0892 4.6206 4.6206 10.4910 10.4910 12.5738 12.5738 13.6656 13.6656 14.0177 14.0177 14.8750 14.8750 15.0730 15.0730 16.7399 16.7399 19.1485 19.1485 19.8912 19.8912 k = 0.4112 0.4415 0.1786 ( 2168 PWs) bands (ev): -58.7803 -58.7803 -30.2092 -30.2092 -20.4830 -20.4830 -20.4364 -20.4364 3.1287 3.1287 4.6740 4.6740 10.3141 10.3141 12.5909 12.5909 13.6143 13.6143 13.9591 13.9591 14.8969 14.8969 15.1198 15.1198 16.8183 16.8183 19.2504 19.2504 19.9800 19.9800 k = 0.4060 0.4506 0.1891 ( 2164 PWs) bands (ev): -58.7802 -58.7802 -30.2098 -30.2098 -20.4852 -20.4852 -20.4371 -20.4371 3.1705 3.1705 4.7298 4.7298 10.1358 10.1358 12.6090 12.6090 13.5631 13.5631 13.8992 13.8992 14.9194 14.9194 15.1698 15.1698 16.8990 16.8990 19.3500 19.3500 20.0710 20.0710 k = 0.4008 0.4597 0.1996 ( 2152 PWs) bands (ev): -58.7800 -58.7800 -30.2103 -30.2103 -20.4876 -20.4876 -20.4377 -20.4377 3.2148 3.2148 4.7878 4.7878 9.9570 9.9570 12.6273 12.6273 13.5121 13.5121 13.8384 13.8384 14.9423 14.9423 15.2230 15.2230 16.9821 16.9821 19.4471 19.4471 20.1639 20.1639 k = 0.3955 0.4688 0.2101 ( 2146 PWs) bands (ev): -58.7799 -58.7799 -30.2109 -30.2109 -20.4902 -20.4902 -20.4381 -20.4381 3.2614 3.2614 4.8479 4.8479 9.7783 9.7783 12.6454 12.6454 13.4617 13.4617 13.7771 13.7771 14.9654 14.9654 15.2794 15.2794 17.0675 17.0675 19.5415 19.5415 20.2585 20.2585 k = 0.3903 0.4780 0.2206 ( 2146 PWs) bands (ev): -58.7797 -58.7797 -30.2116 -30.2116 -20.4931 -20.4931 -20.4383 -20.4383 3.3104 3.3104 4.9098 4.9098 9.6004 9.6004 12.6628 12.6628 13.4121 13.4121 13.7156 13.7156 14.9886 14.9886 15.3391 15.3391 17.1551 17.1551 19.6331 19.6331 20.1973 20.1973 k = 0.3851 0.4871 0.2311 ( 2154 PWs) bands (ev): -58.7796 -58.7796 -30.2122 -30.2122 -20.4962 -20.4962 -20.4385 -20.4385 3.3617 3.3617 4.9731 4.9731 9.4240 9.4240 12.6790 12.6790 13.3633 13.3633 13.6543 13.6543 15.0116 15.0116 15.4020 15.4020 17.2449 17.2449 19.7220 19.7220 20.0422 20.0422 k = 0.3799 0.4962 0.2416 ( 2158 PWs) bands (ev): -58.7794 -58.7794 -30.2129 -30.2129 -20.4993 -20.4993 -20.4385 -20.4385 3.4154 3.4154 5.0375 5.0375 9.2497 9.2497 12.6936 12.6936 13.3156 13.3156 13.5935 13.5935 15.0343 15.0343 15.4682 15.4682 17.3369 17.3369 19.8081 19.8081 19.8922 19.8922 k = 0.3746 0.5053 0.2521 ( 2158 PWs) bands (ev): -58.7793 -58.7793 -30.2136 -30.2136 -20.5026 -20.5026 -20.4384 -20.4384 3.4715 3.4715 5.1026 5.1026 9.0781 9.0781 12.7061 12.7061 13.2690 13.2690 13.5335 13.5335 15.0565 15.0565 15.5374 15.5374 17.4311 17.4311 19.7479 19.7479 19.8916 19.8916 k = 0.3694 0.5144 0.2626 ( 2158 PWs) bands (ev): -58.7791 -58.7791 -30.2142 -30.2142 -20.5060 -20.5060 -20.4382 -20.4382 3.5298 3.5298 5.1679 5.1679 8.9101 8.9101 12.7161 12.7161 13.2237 13.2237 13.4745 13.4745 15.0779 15.0779 15.6097 15.6097 17.5275 17.5275 19.6095 19.6095 19.9723 19.9723 k = 0.3642 0.5235 0.2731 ( 2164 PWs) bands (ev): -58.7790 -58.7790 -30.2149 -30.2149 -20.5094 -20.5094 -20.4379 -20.4379 3.5905 3.5905 5.2326 5.2326 8.7465 8.7465 12.7233 12.7233 13.1797 13.1797 13.4169 13.4169 15.0985 15.0985 15.6848 15.6848 17.6260 17.6260 19.4773 19.4773 20.0503 20.0503 k = 0.3590 0.5326 0.2836 ( 2164 PWs) bands (ev): -58.7788 -58.7788 -30.2155 -30.2155 -20.5128 -20.5128 -20.4375 -20.4375 3.6535 3.6535 5.2959 5.2959 8.5881 8.5881 12.7273 12.7273 13.1370 13.1370 13.3609 13.3609 15.1178 15.1178 15.7628 15.7628 17.7267 17.7267 19.3519 19.3519 20.1255 20.1255 k = 0.3537 0.5418 0.2941 ( 2164 PWs) bands (ev): -58.7787 -58.7787 -30.2161 -30.2161 -20.5163 -20.5163 -20.4372 -20.4372 3.7188 3.7188 5.3569 5.3569 8.4362 8.4362 12.7278 12.7278 13.0955 13.0955 13.3067 13.3067 15.1358 15.1358 15.8432 15.8432 17.8295 17.8295 19.2333 19.2333 20.1973 20.1973 k = 0.3485 0.5509 0.3046 ( 2158 PWs) bands (ev): -58.7785 -58.7785 -30.2167 -30.2167 -20.5197 -20.5197 -20.4367 -20.4367 3.7864 3.7864 5.4143 5.4143 8.2920 8.2920 12.7245 12.7245 13.0552 13.0552 13.2546 13.2546 15.1520 15.1520 15.9260 15.9260 17.9344 17.9344 19.1221 19.1221 20.1925 20.1925 k = 0.3433 0.5600 0.3151 ( 2150 PWs) bands (ev): -58.7784 -58.7784 -30.2173 -30.2173 -20.5230 -20.5230 -20.4362 -20.4362 3.8562 3.8562 5.4664 5.4664 8.1572 8.1572 12.7173 12.7173 13.0159 13.0159 13.2049 13.2049 15.1664 15.1664 16.0107 16.0107 18.0415 18.0415 19.0183 19.0183 20.0403 20.0403 k = 0.3381 0.5691 0.3256 ( 2150 PWs) bands (ev): -58.7782 -58.7782 -30.2179 -30.2179 -20.5263 -20.5263 -20.4358 -20.4358 3.9284 3.9284 5.5116 5.5116 8.0338 8.0338 12.7060 12.7060 12.9774 12.9774 13.1578 13.1578 15.1785 15.1785 16.0971 16.0971 18.1507 18.1507 18.9224 18.9224 19.8888 19.8888 k = 0.3328 0.5782 0.3361 ( 2150 PWs) bands (ev): -58.7781 -58.7781 -30.2185 -30.2185 -20.5295 -20.5295 -20.4353 -20.4353 4.0027 4.0027 5.5474 5.5474 7.9239 7.9239 12.6907 12.6907 12.9395 12.9395 13.1136 13.1136 15.1881 15.1881 16.1848 16.1848 18.2619 18.2619 18.8345 18.8345 19.7391 19.7391 k = 0.3276 0.5873 0.3466 ( 2150 PWs) bands (ev): -58.7780 -58.7780 -30.2190 -30.2190 -20.5325 -20.5325 -20.4347 -20.4347 4.0793 4.0793 5.5717 5.5717 7.8299 7.8299 12.6713 12.6713 12.9020 12.9020 13.0722 13.0722 15.1950 15.1950 16.2732 16.2732 18.3748 18.3748 18.7551 18.7551 19.5914 19.5914 k = 0.3224 0.5964 0.3572 ( 2152 PWs) bands (ev): -58.7779 -58.7779 -30.2196 -30.2196 -20.5355 -20.5355 -20.4342 -20.4342 4.1581 4.1581 5.5819 5.5819 7.7544 7.7544 12.6479 12.6479 12.8649 12.8649 13.0339 13.0339 15.1987 15.1987 16.3618 16.3618 18.4880 18.4880 18.6856 18.6856 19.4460 19.4460 k = 0.3172 0.6056 0.3677 ( 2156 PWs) bands (ev): -58.7778 -58.7778 -30.2201 -30.2201 -20.5383 -20.5383 -20.4337 -20.4337 4.2391 4.2391 5.5760 5.5760 7.6994 7.6994 12.6203 12.6203 12.8283 12.8283 12.9987 12.9987 15.1991 15.1991 16.4501 16.4501 18.5806 18.5806 18.6468 18.6468 19.3029 19.3029 k = 0.3120 0.6147 0.3782 ( 2156 PWs) bands (ev): -58.7777 -58.7777 -30.2205 -30.2205 -20.5410 -20.5410 -20.4332 -20.4332 4.3222 4.3222 5.5525 5.5525 7.6663 7.6663 12.5885 12.5885 12.7923 12.7923 12.9666 12.9666 15.1958 15.1958 16.5373 16.5373 18.5530 18.5530 18.7383 18.7383 19.1624 19.1624 k = 0.3067 0.6238 0.3887 ( 2156 PWs) bands (ev): -58.7775 -58.7775 -30.2210 -30.2210 -20.5435 -20.5435 -20.4327 -20.4327 4.4073 4.4073 5.5113 5.5113 7.6555 7.6555 12.5524 12.5524 12.7570 12.7570 12.9377 12.9377 15.1887 15.1887 16.6229 16.6229 18.5072 18.5072 18.8578 18.8578 19.0246 19.0246 k = 0.3015 0.6329 0.3992 ( 2152 PWs) bands (ev): -58.7775 -58.7775 -30.2213 -30.2213 -20.5458 -20.5458 -20.4323 -20.4323 4.4945 4.4945 5.4532 5.4532 7.6659 7.6659 12.5118 12.5118 12.7227 12.7227 12.9120 12.9120 15.1774 15.1774 16.7059 16.7059 18.4667 18.4667 18.8895 18.8895 18.9814 18.9814 k = 0.2963 0.6420 0.4097 ( 2148 PWs) bands (ev): -58.7774 -58.7774 -30.2217 -30.2217 -20.5479 -20.5479 -20.4318 -20.4318 4.5835 4.5835 5.3799 5.3799 7.6960 7.6960 12.4667 12.4667 12.6896 12.6896 12.8898 12.8898 15.1619 15.1619 16.7857 16.7857 18.4325 18.4325 18.7577 18.7577 19.1072 19.1072 k = 0.2911 0.6511 0.4202 ( 2152 PWs) bands (ev): -58.7773 -58.7773 -30.2220 -30.2220 -20.5498 -20.5498 -20.4314 -20.4314 4.6740 4.6740 5.2942 5.2942 7.7435 7.7435 12.4171 12.4171 12.6577 12.6577 12.8710 12.8710 15.1419 15.1419 16.8614 16.8614 18.4042 18.4042 18.6290 18.6290 19.2347 19.2347 k = 0.2911 0.6511 0.4202 ( 2152 PWs) bands (ev): -58.7773 -58.7773 -30.2220 -30.2220 -20.5498 -20.5498 -20.4314 -20.4314 4.6740 4.6740 5.2942 5.2942 7.7435 7.7435 12.4171 12.4171 12.6577 12.6577 12.8710 12.8710 15.1419 15.1419 16.8614 16.8614 18.4042 18.4042 18.6290 18.6290 19.2347 19.2347 k = 0.2772 0.6477 0.4241 ( 2148 PWs) bands (ev): -58.7773 -58.7773 -30.2221 -30.2221 -20.5504 -20.5504 -20.4312 -20.4312 4.7048 4.7048 5.2611 5.2611 7.7700 7.7700 12.3918 12.3918 12.6467 12.6467 12.8647 12.8647 15.1334 15.1334 16.8900 16.8900 18.3879 18.3879 18.5938 18.5938 19.2334 19.2334 k = 0.2633 0.6443 0.4280 ( 2150 PWs) bands (ev): -58.7772 -58.7772 -30.2222 -30.2222 -20.5510 -20.5510 -20.4311 -20.4311 4.7290 4.7290 5.2299 5.2299 7.8081 7.8081 12.3540 12.3540 12.6376 12.6376 12.8587 12.8587 15.1251 15.1251 16.9207 16.9207 18.3586 18.3586 18.5826 18.5826 19.1691 19.1691 k = 0.2495 0.6409 0.4320 ( 2151 PWs) bands (ev): -58.7772 -58.7772 -30.2223 -30.2223 -20.5516 -20.5516 -20.4309 -20.4309 4.7471 4.7471 5.2004 5.2004 7.8576 7.8576 12.3030 12.3030 12.6310 12.6310 12.8531 12.8531 15.1170 15.1170 16.9532 16.9532 18.3229 18.3229 18.5887 18.5887 19.0898 19.0898 k = 0.2356 0.6375 0.4359 ( 2143 PWs) bands (ev): -58.7772 -58.7772 -30.2224 -30.2224 -20.5522 -20.5522 -20.4308 -20.4308 4.7597 4.7597 5.1724 5.1724 7.9179 7.9179 12.2394 12.2394 12.6265 12.6265 12.8479 12.8479 15.1095 15.1095 16.9871 16.9871 18.2874 18.2874 18.6046 18.6046 19.0089 19.0089 k = 0.2218 0.6341 0.4398 ( 2143 PWs) bands (ev): -58.7772 -58.7772 -30.2225 -30.2225 -20.5527 -20.5527 -20.4306 -20.4306 4.7676 4.7676 5.1458 5.1458 7.9884 7.9884 12.1641 12.1641 12.6238 12.6238 12.8433 12.8433 15.1026 15.1026 17.0218 17.0218 18.2557 18.2557 18.6254 18.6254 18.9305 18.9305 k = 0.2079 0.6307 0.4438 ( 2145 PWs) bands (ev): -58.7771 -58.7771 -30.2226 -30.2226 -20.5532 -20.5532 -20.4305 -20.4305 4.7715 4.7715 5.1203 5.1203 8.0684 8.0684 12.0781 12.0781 12.6223 12.6223 12.8391 12.8391 15.0966 15.0966 17.0570 17.0570 18.2295 18.2295 18.6461 18.6461 18.8580 18.8580 k = 0.1940 0.6272 0.4477 ( 2147 PWs) bands (ev): -58.7771 -58.7771 -30.2227 -30.2227 -20.5536 -20.5536 -20.4303 -20.4303 4.7723 4.7723 5.0957 5.0957 8.1571 8.1571 11.9825 11.9825 12.6218 12.6218 12.8354 12.8354 15.0915 15.0915 17.0918 17.0918 18.2093 18.2093 18.6578 18.6578 18.7997 18.7997 k = 0.1802 0.6238 0.4516 ( 2150 PWs) bands (ev): -58.7771 -58.7771 -30.2227 -30.2227 -20.5541 -20.5541 -20.4302 -20.4302 4.7707 4.7707 5.0722 5.0722 8.2537 8.2537 11.8785 11.8785 12.6219 12.6219 12.8320 12.8320 15.0874 15.0874 17.1259 17.1259 18.1948 18.1948 18.6403 18.6403 18.7742 18.7742 k = 0.1663 0.6204 0.4556 ( 2148 PWs) bands (ev): -58.7771 -58.7771 -30.2228 -30.2228 -20.5544 -20.5544 -20.4300 -20.4300 4.7674 4.7674 5.0496 5.0496 8.3573 8.3573 11.7671 11.7671 12.6223 12.6223 12.8290 12.8290 15.0841 15.0841 17.1587 17.1587 18.1860 18.1860 18.5925 18.5925 18.7815 18.7815 k = 0.1525 0.6170 0.4595 ( 2144 PWs) bands (ev): -58.7771 -58.7771 -30.2228 -30.2228 -20.5548 -20.5548 -20.4299 -20.4299 4.7630 4.7630 5.0279 5.0279 8.4672 8.4672 11.6493 11.6493 12.6231 12.6231 12.8263 12.8263 15.0817 15.0817 17.1898 17.1898 18.1821 18.1821 18.5355 18.5355 18.7991 18.7991 k = 0.1386 0.6136 0.4634 ( 2144 PWs) bands (ev): -58.7771 -58.7771 -30.2229 -30.2229 -20.5551 -20.5551 -20.4297 -20.4297 4.7579 4.7579 5.0073 5.0073 8.5824 8.5824 11.5262 11.5262 12.6239 12.6239 12.8239 12.8239 15.0800 15.0800 17.2189 17.2189 18.1825 18.1825 18.4787 18.4787 18.8164 18.8164 k = 0.1247 0.6102 0.4674 ( 2143 PWs) bands (ev): -58.7770 -58.7770 -30.2229 -30.2229 -20.5554 -20.5554 -20.4296 -20.4296 4.7526 4.7526 4.9880 4.9880 8.7021 8.7021 11.3988 11.3988 12.6248 12.6248 12.8218 12.8218 15.0791 15.0791 17.2457 17.2457 18.1865 18.1865 18.4250 18.4250 18.8296 18.8296 k = 0.1109 0.6068 0.4713 ( 2147 PWs) bands (ev): -58.7770 -58.7770 -30.2230 -30.2230 -20.5557 -20.5557 -20.4295 -20.4295 4.7474 4.7474 4.9700 4.9700 8.8254 8.8254 11.2682 11.2682 12.6257 12.6257 12.8198 12.8198 15.0787 15.0787 17.2702 17.2702 18.1932 18.1932 18.3757 18.3757 18.8370 18.8370 k = 0.0970 0.6034 0.4752 ( 2145 PWs) bands (ev): -58.7770 -58.7770 -30.2230 -30.2230 -20.5559 -20.5559 -20.4294 -20.4294 4.7425 4.7425 4.9536 4.9536 8.9512 8.9512 11.1355 11.1355 12.6266 12.6266 12.8182 12.8182 15.0788 15.0788 17.2922 17.2922 18.2016 18.2016 18.3318 18.3318 18.8385 18.8385 k = 0.0832 0.5999 0.4792 ( 2149 PWs) bands (ev): -58.7770 -58.7770 -30.2231 -30.2231 -20.5561 -20.5561 -20.4293 -20.4293 4.7380 4.7380 4.9389 4.9389 9.0783 9.0783 11.0022 11.0022 12.6274 12.6274 12.8167 12.8167 15.0792 15.0792 17.3116 17.3116 18.2099 18.2099 18.2945 18.2945 18.8347 18.8347 k = 0.0693 0.5965 0.4831 ( 2145 PWs) bands (ev): -58.7770 -58.7770 -30.2231 -30.2231 -20.5563 -20.5563 -20.4293 -20.4293 4.7342 4.7342 4.9260 4.9260 9.2051 9.2051 10.8700 10.8700 12.6281 12.6281 12.8155 12.8155 15.0798 15.0798 17.3283 17.3283 18.2144 18.2144 18.2672 18.2672 18.8269 18.8269 k = 0.0554 0.5931 0.4870 ( 2143 PWs) bands (ev): -58.7770 -58.7770 -30.2231 -30.2231 -20.5564 -20.5564 -20.4292 -20.4292 4.7310 4.7310 4.9152 4.9152 9.3289 9.3289 10.7416 10.7416 12.6287 12.6287 12.8145 12.8145 15.0805 15.0805 17.3422 17.3422 18.2073 18.2073 18.2570 18.2570 18.8167 18.8167 k = 0.0416 0.5897 0.4910 ( 2147 PWs) bands (ev): -58.7770 -58.7770 -30.2231 -30.2231 -20.5565 -20.5565 -20.4292 -20.4292 4.7285 4.7285 4.9067 4.9067 9.4457 9.4457 10.6211 10.6211 12.6292 12.6292 12.8137 12.8137 15.0811 15.0811 17.3532 17.3532 18.1921 18.1921 18.2598 18.2598 18.8062 18.8062 k = 0.0277 0.5863 0.4949 ( 2145 PWs) bands (ev): -58.7770 -58.7770 -30.2231 -30.2231 -20.5566 -20.5566 -20.4291 -20.4291 4.7268 4.7268 4.9005 4.9005 9.5478 9.5478 10.5163 10.5163 12.6295 12.6295 12.8132 12.8132 15.0816 15.0816 17.3612 17.3612 18.1785 18.1785 18.2653 18.2653 18.7972 18.7972 k = 0.0139 0.5829 0.4988 ( 2145 PWs) bands (ev): -58.7770 -58.7770 -30.2231 -30.2231 -20.5567 -20.5567 -20.4291 -20.4291 4.7257 4.7257 4.8967 4.8967 9.6220 9.6220 10.4404 10.4404 12.6297 12.6297 12.8129 12.8129 15.0820 15.0820 17.3660 17.3660 18.1697 18.1697 18.2695 18.2695 18.7911 18.7911 k = 0.0000 0.5795 0.5028 ( 2150 PWs) bands (ev): -58.7770 -58.7770 -30.2232 -30.2232 -20.5567 -20.5567 -20.4291 -20.4291 4.7253 4.7253 4.8954 4.8954 9.6502 9.6502 10.4117 10.4117 12.6298 12.6298 12.8127 12.8127 15.0821 15.0821 17.3676 17.3676 18.1667 18.1667 18.2711 18.2711 18.7889 18.7889 k = 0.0000 0.5795 0.5028 ( 2150 PWs) bands (ev): -58.7770 -58.7770 -30.2232 -30.2232 -20.5567 -20.5567 -20.4291 -20.4291 4.7253 4.7253 4.8954 4.8954 9.6502 9.6502 10.4117 10.4117 12.6298 12.6298 12.8127 12.8127 15.0821 15.0821 17.3676 17.3676 18.1667 18.1667 18.2711 18.2711 18.7889 18.7889 k = 0.0052 0.5704 0.5132 ( 2148 PWs) bands (ev): -58.7770 -58.7770 -30.2232 -30.2232 -20.5567 -20.5567 -20.4292 -20.4292 4.7260 4.7260 4.8970 4.8970 9.6524 9.6524 10.4093 10.4093 12.6302 12.6302 12.8139 12.8139 15.0766 15.0766 17.3661 17.3661 18.0797 18.0797 18.3471 18.3471 18.7944 18.7944 k = 0.0104 0.5613 0.5237 ( 2144 PWs) bands (ev): -58.7770 -58.7770 -30.2232 -30.2232 -20.5566 -20.5566 -20.4295 -20.4295 4.7279 4.7279 4.9017 4.9017 9.6588 9.6588 10.4022 10.4022 12.6314 12.6314 12.8175 12.8175 15.0603 15.0603 17.3610 17.3610 17.9481 17.9481 18.4470 18.4470 18.8105 18.8105 k = 0.0156 0.5522 0.5342 ( 2144 PWs) bands (ev): -58.7769 -58.7769 -30.2233 -30.2233 -20.5566 -20.5566 -20.4300 -20.4300 4.7310 4.7310 4.9095 4.9095 9.6696 9.6696 10.3903 10.3903 12.6332 12.6332 12.8235 12.8235 15.0334 15.0334 17.3501 17.3501 17.8094 17.8094 18.5365 18.5365 18.8364 18.8364 k = 0.0208 0.5431 0.5447 ( 2148 PWs) bands (ev): -58.7769 -58.7769 -30.2235 -30.2235 -20.5565 -20.5565 -20.4308 -20.4308 4.7355 4.7355 4.9204 4.9204 9.6848 9.6848 10.3739 10.3739 12.6354 12.6354 12.8317 12.8317 14.9967 14.9967 17.3269 17.3269 17.6744 17.6744 18.6132 18.6132 18.8701 18.8701 k = 0.0260 0.5340 0.5551 ( 2148 PWs) bands (ev): -58.7769 -58.7769 -30.2236 -30.2236 -20.5564 -20.5564 -20.4317 -20.4317 4.7411 4.7411 4.9344 4.9344 9.7041 9.7041 10.3533 10.3533 12.6378 12.6378 12.8420 12.8420 14.9509 14.9509 17.2754 17.2754 17.5614 17.5614 18.6773 18.6773 18.9091 18.9091 k = 0.0312 0.5250 0.5656 ( 2144 PWs) bands (ev): -58.7768 -58.7768 -30.2238 -30.2238 -20.5563 -20.5563 -20.4328 -20.4328 4.7480 4.7480 4.9515 4.9515 9.7278 9.7278 10.3286 10.3286 12.6400 12.6400 12.8541 12.8541 14.8968 14.8968 17.1766 17.1766 17.4915 17.4915 18.7298 18.7298 18.9498 18.9498 k = 0.0365 0.5159 0.5761 ( 2146 PWs) bands (ev): -58.7768 -58.7768 -30.2241 -30.2241 -20.5562 -20.5562 -20.4341 -20.4341 4.7562 4.7562 4.9717 4.9717 9.7556 9.7556 10.3002 10.3002 12.6415 12.6415 12.8680 12.8680 14.8353 14.8353 17.0389 17.0389 17.4580 17.4580 18.7718 18.7718 18.9891 18.9891 k = 0.0417 0.5068 0.5865 ( 2146 PWs) bands (ev): -58.7767 -58.7767 -30.2244 -30.2244 -20.5561 -20.5561 -20.4356 -20.4356 4.7656 4.7656 4.9949 4.9949 9.7876 9.7876 10.2684 10.2684 12.6420 12.6420 12.8832 12.8832 14.7673 14.7673 16.8830 16.8830 17.4416 17.4416 18.8037 18.8037 19.0237 19.0237 k = 0.0469 0.4977 0.5970 ( 2142 PWs) bands (ev): -58.7766 -58.7766 -30.2247 -30.2247 -20.5560 -20.5560 -20.4373 -20.4373 4.7761 4.7761 5.0212 5.0212 9.8237 9.8237 10.2336 10.2336 12.6409 12.6409 12.8993 12.8993 14.6939 14.6939 16.7204 16.7204 17.4323 17.4323 18.8256 18.8256 19.0510 19.0510 k = 0.0521 0.4886 0.6075 ( 2146 PWs) bands (ev): -58.7765 -58.7765 -30.2250 -30.2250 -20.5559 -20.5559 -20.4391 -20.4391 4.7878 4.7878 5.0505 5.0505 9.8639 9.8639 10.1961 10.1961 12.6377 12.6377 12.9161 12.9161 14.6158 14.6158 16.5563 16.5563 17.4264 17.4264 18.8375 18.8375 19.0690 19.0690 k = 0.0573 0.4795 0.6180 ( 2146 PWs) bands (ev): -58.7764 -58.7764 -30.2254 -30.2254 -20.5558 -20.5558 -20.4410 -20.4410 4.8007 4.8007 5.0829 5.0829 9.9079 9.9079 10.1564 10.1564 12.6317 12.6317 12.9331 12.9331 14.5338 14.5338 16.3938 16.3938 17.4221 17.4221 18.8395 18.8395 19.0767 19.0767 k = 0.0625 0.4704 0.6284 ( 2148 PWs) bands (ev): -58.7763 -58.7763 -30.2258 -30.2258 -20.5557 -20.5557 -20.4431 -20.4431 4.8147 4.8147 5.1183 5.1183 9.9556 9.9556 10.1148 10.1148 12.6223 12.6223 12.9498 12.9498 14.4488 14.4488 16.2348 16.2348 17.4186 17.4186 18.8318 18.8318 19.0750 19.0750 k = 0.0677 0.4613 0.6389 ( 2148 PWs) bands (ev): -58.7762 -58.7762 -30.2263 -30.2263 -20.5556 -20.5556 -20.4453 -20.4453 4.8297 4.8297 5.1566 5.1566 10.0055 10.0055 10.0732 10.0732 12.6085 12.6085 12.9659 12.9659 14.3613 14.3613 16.0813 16.0813 17.4155 17.4155 18.8151 18.8151 19.0656 19.0656 k = 0.0729 0.4523 0.6494 ( 2152 PWs) bands (ev): -58.7761 -58.7761 -30.2268 -30.2268 -20.5556 -20.5556 -20.4476 -20.4476 4.8458 4.8458 5.1980 5.1980 10.0192 10.0192 10.0701 10.0701 12.5896 12.5896 12.9810 12.9810 14.2721 14.2721 15.9346 15.9346 17.4126 17.4126 18.7906 18.7906 19.0506 19.0506 k = 0.0781 0.4432 0.6599 ( 2150 PWs) bands (ev): -58.7760 -58.7760 -30.2272 -30.2272 -20.5556 -20.5556 -20.4500 -20.4500 4.8628 4.8628 5.2423 5.2423 9.9764 9.9764 10.1261 10.1261 12.5646 12.5646 12.9945 12.9945 14.1819 14.1819 15.7962 15.7962 17.4095 17.4095 18.7601 18.7601 19.0318 19.0318 k = 0.0833 0.4341 0.6703 ( 2150 PWs) bands (ev): -58.7759 -58.7759 -30.2278 -30.2278 -20.5556 -20.5556 -20.4524 -20.4524 4.8808 4.8808 5.2895 5.2895 9.9298 9.9298 10.1885 10.1885 12.5325 12.5325 13.0061 13.0061 14.0911 14.0911 15.6674 15.6674 17.4063 17.4063 18.7256 18.7256 19.0102 19.0102 k = 0.0885 0.4250 0.6808 ( 2152 PWs) bands (ev): -58.7757 -58.7757 -30.2283 -30.2283 -20.5557 -20.5557 -20.4548 -20.4548 4.8996 4.8996 5.3397 5.3397 9.8822 9.8822 10.2547 10.2547 12.4923 12.4923 13.0154 13.0154 14.0004 14.0004 15.5495 15.5495 17.4027 17.4027 18.6891 18.6891 18.9862 18.9862 k = 0.0938 0.4159 0.6913 ( 2148 PWs) bands (ev): -58.7756 -58.7756 -30.2288 -30.2288 -20.5558 -20.5558 -20.4573 -20.4573 4.9193 4.9193 5.3927 5.3927 9.8341 9.8341 10.3243 10.3243 12.4434 12.4434 13.0220 13.0220 13.9106 13.9106 15.4433 15.4433 17.3987 17.3987 18.6525 18.6525 18.9601 18.9601 k = 0.0990 0.4068 0.7018 ( 2152 PWs) bands (ev): -58.7755 -58.7755 -30.2294 -30.2294 -20.5561 -20.5561 -20.4598 -20.4598 4.9397 4.9397 5.4487 5.4487 9.7859 9.7859 10.3971 10.3971 12.3849 12.3849 13.0252 13.0252 13.8223 13.8223 15.3495 15.3495 17.3944 17.3944 18.6172 18.6172 18.9322 18.9322 k = 0.1042 0.3977 0.7122 ( 2152 PWs) bands (ev): -58.7753 -58.7753 -30.2300 -30.2300 -20.5564 -20.5564 -20.4622 -20.4622 4.9609 4.9609 5.5075 5.5075 9.7376 9.7376 10.4727 10.4727 12.3167 12.3167 13.0245 13.0245 13.7365 13.7365 15.2686 15.2686 17.3895 17.3895 18.5843 18.5843 18.9026 18.9026 k = 0.1094 0.3886 0.7227 ( 2150 PWs) bands (ev): -58.7752 -58.7752 -30.2306 -30.2306 -20.5567 -20.5567 -20.4646 -20.4646 4.9826 4.9826 5.5691 5.5691 9.6896 9.6896 10.5509 10.5509 12.2386 12.2386 13.0193 13.0193 13.6541 13.6541 15.2004 15.2004 17.3841 17.3841 18.5544 18.5544 18.8717 18.8717 k = 0.1146 0.3796 0.7332 ( 2146 PWs) bands (ev): -58.7750 -58.7750 -30.2311 -30.2311 -20.5572 -20.5572 -20.4670 -20.4670 5.0049 5.0049 5.6335 5.6335 9.6420 9.6420 10.6312 10.6312 12.1511 12.1511 13.0087 13.0087 13.5763 13.5763 15.1447 15.1447 17.3781 17.3781 18.5279 18.5279 18.8401 18.8401 k = 0.1198 0.3705 0.7437 ( 2144 PWs) bands (ev): -58.7749 -58.7749 -30.2317 -30.2317 -20.5578 -20.5578 -20.4692 -20.4692 5.0276 5.0276 5.7007 5.7007 9.5950 9.5950 10.7132 10.7132 12.0551 12.0551 12.9916 12.9916 13.5044 13.5044 15.1005 15.1005 17.3716 17.3716 18.5050 18.5050 18.8085 18.8085 k = 0.1250 0.3614 0.7541 ( 2144 PWs) bands (ev): -58.7747 -58.7747 -30.2323 -30.2323 -20.5585 -20.5585 -20.4714 -20.4714 5.0507 5.0507 5.7706 5.7706 9.5487 9.5487 10.7960 10.7960 11.9519 11.9519 12.9672 12.9672 13.4396 13.4396 15.0669 15.0669 17.3645 17.3645 18.4853 18.4853 18.7779 18.7779 k = 0.1302 0.3523 0.7646 ( 2144 PWs) bands (ev): -58.7746 -58.7746 -30.2329 -30.2329 -20.5593 -20.5593 -20.4734 -20.4734 5.0741 5.0741 5.8433 5.8433 9.5034 9.5034 10.8780 10.8780 11.8440 11.8440 12.9347 12.9347 13.3831 13.3831 15.0426 15.0426 17.3570 17.3570 18.4683 18.4683 18.7497 18.7497 k = 0.1354 0.3432 0.7751 ( 2146 PWs) bands (ev): -58.7744 -58.7744 -30.2335 -30.2335 -20.5602 -20.5602 -20.4754 -20.4754 5.0977 5.0977 5.9186 5.9186 9.4590 9.4590 10.9564 10.9564 11.7350 11.7350 12.8940 12.8940 13.3350 13.3350 15.0261 15.0261 17.3490 17.3490 18.4530 18.4530 18.7255 18.7255 k = 0.1406 0.3341 0.7856 ( 2144 PWs) bands (ev): -58.7743 -58.7743 -30.2341 -30.2341 -20.5612 -20.5612 -20.4771 -20.4771 5.1214 5.1214 5.9965 5.9965 9.4159 9.4159 11.0247 11.0247 11.6321 11.6321 12.8462 12.8462 13.2949 13.2949 15.0158 15.0158 17.3409 17.3409 18.4383 18.4383 18.7070 18.7070 k = 0.1458 0.3250 0.7960 ( 2144 PWs) bands (ev): -58.7741 -58.7741 -30.2347 -30.2347 -20.5624 -20.5624 -20.4788 -20.4788 5.1451 5.1451 6.0770 6.0770 9.3740 9.3740 11.0682 11.0682 11.5509 11.5509 12.7928 12.7928 13.2615 13.2615 15.0101 15.0101 17.3328 17.3328 18.4230 18.4230 18.6960 18.6960 k = 0.1510 0.3159 0.8065 ( 2140 PWs) bands (ev): -58.7740 -58.7740 -30.2353 -30.2353 -20.5636 -20.5636 -20.4802 -20.4802 5.1687 5.1687 6.1600 6.1600 9.3336 9.3336 11.0615 11.0615 11.5175 11.5175 12.7356 12.7356 13.2333 13.2333 15.0074 15.0074 17.3250 17.3250 18.4065 18.4065 18.6939 18.6939 k = 0.1562 0.3069 0.8170 ( 2140 PWs) bands (ev): -58.7738 -58.7738 -30.2359 -30.2359 -20.5649 -20.5649 -20.4816 -20.4816 5.1920 5.1920 6.2455 6.2455 9.2946 9.2946 10.9942 10.9942 11.5430 11.5430 12.6765 12.6765 13.2089 13.2089 15.0060 15.0060 17.3182 17.3182 18.3888 18.3888 18.7010 18.7010 k = 0.1615 0.2978 0.8275 ( 2140 PWs) bands (ev): -58.7737 -58.7737 -30.2364 -30.2364 -20.5662 -20.5662 -20.4828 -20.4828 5.2150 5.2150 6.3334 6.3334 9.2572 9.2572 10.8873 10.8873 11.6068 11.6068 12.6171 12.6171 13.1872 13.1872 15.0043 15.0043 17.3129 17.3129 18.3705 18.3705 18.7171 18.7171 k = 0.1667 0.2887 0.8379 ( 2142 PWs) bands (ev): -58.7736 -58.7736 -30.2369 -30.2369 -20.5677 -20.5677 -20.4839 -20.4839 5.2376 5.2376 6.4235 6.4235 9.2215 9.2215 10.7612 10.7612 11.6886 11.6886 12.5587 12.5587 13.1675 13.1675 15.0010 15.0010 17.3097 17.3097 18.3525 18.3525 18.7416 18.7416 k = 0.1719 0.2796 0.8484 ( 2144 PWs) bands (ev): -58.7735 -58.7735 -30.2375 -30.2375 -20.5691 -20.5691 -20.4848 -20.4848 5.2596 5.2596 6.5159 6.5159 9.1876 9.1876 10.6259 10.6259 11.7785 11.7785 12.5024 12.5024 13.1493 13.1493 14.9945 14.9945 17.3093 17.3093 18.3359 18.3359 18.7735 18.7735 k = 0.1771 0.2705 0.8589 ( 2138 PWs) bands (ev): -58.7733 -58.7733 -30.2379 -30.2379 -20.5706 -20.5706 -20.4856 -20.4856 5.2809 5.2809 6.6103 6.6103 9.1554 9.1554 10.4861 10.4861 11.8713 11.8713 12.4499 12.4499 13.1324 13.1324 14.9838 14.9838 17.3125 17.3125 18.3214 18.3214 18.8121 18.8121 k = 0.1823 0.2614 0.8693 ( 2138 PWs) bands (ev): -58.7732 -58.7732 -30.2384 -30.2384 -20.5720 -20.5720 -20.4863 -20.4863 5.3013 5.3013 6.7066 6.7066 9.1252 9.1252 10.3443 10.3443 11.9629 11.9629 12.4032 12.4032 13.1166 13.1166 14.9679 14.9679 17.3198 17.3198 18.3096 18.3096 18.8567 18.8567 k = 0.1875 0.2523 0.8798 ( 2140 PWs) bands (ev): -58.7731 -58.7731 -30.2389 -30.2389 -20.5735 -20.5735 -20.4869 -20.4869 5.3209 5.3209 6.8046 6.8046 9.0970 9.0970 10.2019 10.2019 12.0475 12.0475 12.3673 12.3673 13.1019 13.1019 14.9462 14.9462 17.3314 17.3314 18.3010 18.3010 18.9067 18.9067 k = 0.1927 0.2432 0.8903 ( 2136 PWs) bands (ev): -58.7730 -58.7730 -30.2393 -30.2393 -20.5749 -20.5749 -20.4874 -20.4874 5.3394 5.3394 6.9041 6.9041 9.0707 9.0707 10.0600 10.0600 12.1124 12.1124 12.3541 12.3541 13.0884 13.0884 14.9185 14.9185 17.3475 17.3475 18.2958 18.2958 18.9613 18.9613 k = 0.1979 0.2342 0.9008 ( 2138 PWs) bands (ev): -58.7729 -58.7729 -30.2397 -30.2397 -20.5763 -20.5763 -20.4878 -20.4878 5.3568 5.3568 7.0047 7.0047 9.0465 9.0465 9.9196 9.9196 12.1385 12.1385 12.3817 12.3817 13.0763 13.0763 14.8849 14.8849 17.3678 17.3678 18.2943 18.2943 19.0199 19.0199 k = 0.2031 0.2251 0.9112 ( 2138 PWs) bands (ev): -58.7728 -58.7728 -30.2400 -30.2400 -20.5776 -20.5776 -20.4881 -20.4881 5.3729 5.3729 7.1059 7.1059 9.0243 9.0243 9.7815 9.7815 12.1298 12.1298 12.4456 12.4456 13.0657 13.0657 14.8458 14.8458 17.3916 17.3916 18.2966 18.2966 19.0818 19.0818 k = 0.2083 0.2160 0.9217 ( 2140 PWs) bands (ev): -58.7727 -58.7727 -30.2403 -30.2403 -20.5787 -20.5787 -20.4884 -20.4884 5.3876 5.3876 7.2073 7.2073 9.0042 9.0042 9.6468 9.6468 12.1067 12.1067 12.5239 12.5239 13.0570 13.0570 14.8023 14.8023 17.4179 17.4179 18.3028 18.3028 19.1461 19.1461 k = 0.2135 0.2069 0.9322 ( 2144 PWs) bands (ev): -58.7727 -58.7727 -30.2406 -30.2406 -20.5798 -20.5798 -20.4887 -20.4887 5.4008 5.4008 7.3079 7.3079 8.9862 8.9862 9.5165 9.5165 12.0804 12.0804 12.6041 12.6041 13.0507 13.0507 14.7557 14.7557 17.4456 17.4456 18.3127 18.3127 19.2115 19.2115 k = 0.2188 0.1978 0.9427 ( 2140 PWs) bands (ev): -58.7726 -58.7726 -30.2409 -30.2409 -20.5808 -20.5808 -20.4888 -20.4888 5.4125 5.4125 7.4065 7.4065 8.9701 8.9701 9.3922 9.3922 12.0551 12.0551 12.6803 12.6803 13.0475 13.0475 14.7075 14.7075 17.4732 17.4732 18.3259 18.3259 19.2764 19.2764 k = 0.2240 0.1887 0.9531 ( 2140 PWs) bands (ev): -58.7726 -58.7726 -30.2411 -30.2411 -20.5816 -20.5816 -20.4890 -20.4890 5.4225 5.4225 7.5014 7.5014 8.9557 8.9557 9.2761 9.2761 12.0325 12.0325 12.7481 12.7481 13.0483 13.0483 14.6600 14.6600 17.4993 17.4993 18.3418 18.3418 19.3383 19.3383 k = 0.2292 0.1796 0.9636 ( 2140 PWs) bands (ev): -58.7725 -58.7725 -30.2413 -30.2413 -20.5823 -20.5823 -20.4891 -20.4891 5.4308 5.4308 7.5899 7.5899 8.9425 8.9425 9.1714 9.1714 12.0133 12.0133 12.8039 12.8039 13.0542 13.0542 14.6154 14.6154 17.5226 17.5226 18.3591 18.3591 19.3933 19.3933 k = 0.2344 0.1705 0.9741 ( 2142 PWs) bands (ev): -58.7725 -58.7725 -30.2414 -30.2414 -20.5829 -20.5829 -20.4892 -20.4892 5.4373 5.4373 7.6685 7.6685 8.9292 8.9292 9.0832 9.0832 11.9981 11.9981 12.8450 12.8450 13.0650 13.0650 14.5765 14.5765 17.5419 17.5419 18.3761 18.3761 19.4355 19.4355 k = 0.2396 0.1615 0.9846 ( 2144 PWs) bands (ev): -58.7725 -58.7725 -30.2415 -30.2415 -20.5833 -20.5833 -20.4892 -20.4892 5.4420 5.4420 7.7319 7.7319 8.9134 8.9134 9.0192 9.0192 11.9870 11.9870 12.8714 12.8714 13.0782 13.0782 14.5461 14.5461 17.5563 17.5563 18.3907 18.3907 19.4592 19.4592 k = 0.2448 0.1524 0.9950 ( 2144 PWs) bands (ev): -58.7725 -58.7725 -30.2416 -30.2416 -20.5835 -20.5835 -20.4893 -20.4893 5.4448 5.4448 7.7738 7.7738 8.8956 8.8956 8.9853 8.9853 11.9803 11.9803 12.8853 12.8853 13.0893 13.0893 14.5266 14.5266 17.5652 17.5652 18.4006 18.4006 19.4664 19.4664 k = 0.2500 0.1433 1.0055 ( 2144 PWs) bands (ev): -58.7724 -58.7724 -30.2416 -30.2416 -20.5836 -20.5836 -20.4893 -20.4893 5.4458 5.4458 7.7886 7.7886 8.8870 8.8870 8.9758 8.9758 11.9781 11.9781 12.8895 12.8895 13.0935 13.0935 14.5199 14.5199 17.5682 17.5682 18.4041 18.4041 19.4671 19.4671 k = 0.2500 0.1433 1.0055 ( 2144 PWs) bands (ev): -58.7724 -58.7724 -30.2416 -30.2416 -20.5836 -20.5836 -20.4893 -20.4893 5.4458 5.4458 7.7886 7.7886 8.8870 8.8870 8.9758 8.9758 11.9781 11.9781 12.8895 12.8895 13.0935 13.0935 14.5199 14.5199 17.5682 17.5682 18.4041 18.4041 19.4671 19.4671 k = 0.2609 0.1495 0.9983 ( 2144 PWs) bands (ev): -58.7724 -58.7724 -30.2416 -30.2416 -20.5836 -20.5836 -20.4893 -20.4893 5.4451 5.4451 7.7871 7.7871 8.8846 8.8846 8.9832 8.9832 11.9691 11.9691 12.8788 12.8788 13.1013 13.1013 14.5343 14.5343 17.5674 17.5674 18.4028 18.4028 19.4561 19.4561 k = 0.2717 0.1557 0.9911 ( 2144 PWs) bands (ev): -58.7724 -58.7724 -30.2416 -30.2416 -20.5835 -20.5835 -20.4893 -20.4893 5.4431 5.4431 7.7821 7.7821 8.8825 8.8825 9.0009 9.0009 11.9426 11.9426 12.8525 12.8525 13.1189 13.1189 14.5767 14.5767 17.5649 17.5649 18.3995 18.3995 19.4270 19.4270 k = 0.2826 0.1620 0.9840 ( 2146 PWs) bands (ev): -58.7725 -58.7725 -30.2416 -30.2416 -20.5835 -20.5835 -20.4893 -20.4893 5.4402 5.4402 7.7722 7.7722 8.8872 8.8872 9.0235 9.0235 11.8997 11.8997 12.8177 12.8177 13.1402 13.1402 14.6444 14.6444 17.5604 17.5604 18.3950 18.3950 19.3876 19.3876 k = 0.2935 0.1682 0.9768 ( 2142 PWs) bands (ev): -58.7725 -58.7725 -30.2415 -30.2415 -20.5833 -20.5833 -20.4892 -20.4892 5.4365 5.4365 7.7567 7.7567 8.9013 8.9013 9.0486 9.0486 11.8425 11.8425 12.7787 12.7787 13.1622 13.1622 14.7336 14.7336 17.5540 17.5540 18.3904 18.3904 19.3422 19.3422 k = 0.3043 0.1744 0.9696 ( 2146 PWs) bands (ev): -58.7725 -58.7725 -30.2415 -30.2415 -20.5832 -20.5832 -20.4892 -20.4892 5.4324 5.4324 7.7353 7.7353 8.9260 8.9260 9.0754 9.0754 11.7734 11.7734 12.7379 12.7379 13.1838 13.1838 14.8402 14.8402 17.5454 17.5454 18.3868 18.3868 19.2927 19.2927 k = 0.3152 0.1807 0.9624 ( 2142 PWs) bands (ev): -58.7725 -58.7725 -30.2414 -30.2414 -20.5829 -20.5829 -20.4892 -20.4892 5.4281 5.4281 7.7080 7.7080 8.9610 8.9610 9.1032 9.1032 11.6946 11.6946 12.6967 12.6967 13.2046 13.2046 14.9601 14.9601 17.5347 17.5347 18.3854 18.3854 19.2396 19.2396 k = 0.3261 0.1869 0.9552 ( 2146 PWs) bands (ev): -58.7725 -58.7725 -30.2414 -30.2414 -20.5827 -20.5827 -20.4892 -20.4892 5.4238 5.4238 7.6752 7.6752 9.0057 9.0057 9.1321 9.1321 11.6087 11.6087 12.6560 12.6560 13.2242 13.2242 15.0899 15.0899 17.5220 17.5220 18.3869 18.3869 19.1833 19.1833 k = 0.3370 0.1931 0.9481 ( 2144 PWs) bands (ev): -58.7725 -58.7725 -30.2413 -30.2413 -20.5824 -20.5824 -20.4892 -20.4892 5.4198 5.4198 7.6375 7.6375 9.0589 9.0589 9.1622 9.1622 11.5178 11.5178 12.6164 12.6164 13.2423 13.2423 15.2264 15.2264 17.5072 17.5072 18.3921 18.3921 19.1242 19.1242 k = 0.3478 0.1994 0.9409 ( 2144 PWs) bands (ev): -58.7725 -58.7725 -30.2412 -30.2412 -20.5821 -20.5821 -20.4891 -20.4891 5.4162 5.4162 7.5955 7.5955 9.1179 9.1179 9.1951 9.1951 11.4238 11.4238 12.5786 12.5786 13.2585 13.2585 15.3670 15.3670 17.4904 17.4904 18.4009 18.4009 19.0633 19.0633 k = 0.3587 0.2056 0.9337 ( 2148 PWs) bands (ev): -58.7726 -58.7726 -30.2411 -30.2411 -20.5817 -20.5817 -20.4891 -20.4891 5.4132 5.4132 7.5498 7.5498 9.1760 9.1760 9.2364 9.2364 11.3284 11.3284 12.5428 12.5428 13.2722 13.2722 15.5093 15.5093 17.4718 17.4718 18.4119 18.4119 19.0030 19.0030 k = 0.3696 0.2118 0.9265 ( 2148 PWs) bands (ev): -58.7726 -58.7726 -30.2411 -30.2411 -20.5813 -20.5813 -20.4891 -20.4891 5.4111 5.4111 7.5008 7.5008 9.2211 9.2211 9.2971 9.2971 11.2329 11.2329 12.5094 12.5094 13.2830 13.2830 15.6515 15.6515 17.4514 17.4514 18.4214 18.4214 18.9481 18.9481 k = 0.3804 0.2180 0.9193 ( 2146 PWs) bands (ev): -58.7726 -58.7726 -30.2409 -30.2409 -20.5809 -20.5809 -20.4890 -20.4890 5.4099 5.4099 7.4490 7.4490 9.2546 9.2546 9.3748 9.3748 11.1385 11.1385 12.4788 12.4788 13.2907 13.2907 15.7917 15.7917 17.4293 17.4293 18.4219 18.4219 18.9070 18.9070 k = 0.3913 0.2243 0.9122 ( 2146 PWs) bands (ev): -58.7726 -58.7726 -30.2408 -30.2408 -20.5804 -20.5804 -20.4890 -20.4890 5.4097 5.4097 7.3947 7.3947 9.2835 9.2835 9.4618 9.4618 11.0463 11.0463 12.4511 12.4511 13.2949 13.2949 15.9283 15.9283 17.4055 17.4055 18.4025 18.4025 18.8919 18.8919 k = 0.4022 0.2305 0.9050 ( 2148 PWs) bands (ev): -58.7727 -58.7727 -30.2407 -30.2407 -20.5799 -20.5799 -20.4890 -20.4890 5.4106 5.4106 7.3382 7.3382 9.3101 9.3101 9.5548 9.5548 10.9572 10.9572 12.4266 12.4266 13.2954 13.2954 16.0601 16.0601 17.3801 17.3801 18.3556 18.3556 18.9110 18.9110 k = 0.4130 0.2367 0.8978 ( 2142 PWs) bands (ev): -58.7727 -58.7727 -30.2406 -30.2406 -20.5794 -20.5794 -20.4889 -20.4889 5.4128 5.4128 7.2796 7.2796 9.3350 9.3350 9.6526 9.6526 10.8719 10.8719 12.4055 12.4055 13.2921 13.2921 16.1858 16.1858 17.3532 17.3532 18.2831 18.2831 18.9634 18.9634 k = 0.4239 0.2430 0.8906 ( 2150 PWs) bands (ev): -58.7727 -58.7727 -30.2404 -30.2404 -20.5788 -20.5788 -20.4889 -20.4889 5.4161 5.4161 7.2191 7.2191 9.3582 9.3582 9.7542 9.7542 10.7914 10.7914 12.3879 12.3879 13.2849 13.2849 16.3043 16.3043 17.3249 17.3249 18.1923 18.1923 19.0424 19.0424 k = 0.4348 0.2492 0.8834 ( 2154 PWs) bands (ev): -58.7728 -58.7728 -30.2403 -30.2403 -20.5782 -20.5782 -20.4888 -20.4888 5.4208 5.4208 7.1568 7.1568 9.3799 9.3799 9.8589 9.8589 10.7163 10.7163 12.3739 12.3739 13.2740 13.2740 16.4143 16.4143 17.2953 17.2953 18.0901 18.0901 19.1416 19.1416 k = 0.4457 0.2554 0.8763 ( 2156 PWs) bands (ev): -58.7728 -58.7728 -30.2402 -30.2402 -20.5776 -20.5776 -20.4888 -20.4888 5.4267 5.4267 7.0929 7.0929 9.4000 9.4000 9.9655 9.9655 10.6477 10.6477 12.3638 12.3638 13.2594 13.2594 16.5143 16.5143 17.2645 17.2645 17.9822 17.9822 19.2556 19.2556 k = 0.4565 0.2617 0.8691 ( 2154 PWs) bands (ev): -58.7729 -58.7729 -30.2400 -30.2400 -20.5769 -20.5769 -20.4887 -20.4887 5.4338 5.4338 7.0274 7.0274 9.4183 9.4183 10.0727 10.0727 10.5870 10.5870 12.3575 12.3575 13.2415 13.2415 16.6019 16.6019 17.2328 17.2328 17.8739 17.8739 19.3794 19.3794 k = 0.4674 0.2679 0.8619 ( 2156 PWs) bands (ev): -58.7729 -58.7729 -30.2398 -30.2398 -20.5762 -20.5762 -20.4886 -20.4886 5.4420 5.4420 6.9605 6.9605 9.4348 9.4348 10.1769 10.1769 10.5375 10.5375 12.3550 12.3550 13.2204 13.2204 16.6729 16.6729 17.2002 17.2002 17.7715 17.7715 19.5071 19.5071 k = 0.4783 0.2741 0.8547 ( 2160 PWs) bands (ev): -58.7730 -58.7730 -30.2397 -30.2397 -20.5755 -20.5755 -20.4886 -20.4886 5.4511 5.4511 6.8926 6.8926 9.4496 9.4496 10.2680 10.2680 10.5095 10.5095 12.3564 12.3564 13.1965 13.1965 16.7210 16.7210 17.1674 17.1674 17.6831 17.6831 19.6308 19.6308 k = 0.4891 0.2803 0.8475 ( 2156 PWs) bands (ev): -58.7730 -58.7730 -30.2395 -30.2395 -20.5747 -20.5747 -20.4885 -20.4885 5.4610 5.4610 6.8237 6.8237 9.4625 9.4625 10.3183 10.3183 10.5301 10.5301 12.3616 12.3616 13.1704 13.1704 16.7372 16.7372 17.1351 17.1351 17.6187 17.6187 19.7398 19.7398 k = 0.5000 0.2866 0.8404 ( 2158 PWs) bands (ev): -58.7730 -58.7730 -30.2393 -30.2393 -20.5738 -20.5738 -20.4885 -20.4885 5.4713 5.4713 6.7545 6.7545 9.4737 9.4737 10.3182 10.3182 10.6088 10.6088 12.3704 12.3704 13.1424 13.1424 16.7141 16.7141 17.1037 17.1037 17.5869 17.5869 19.8232 19.8232 k = 0.5000 0.2866 0.8404 ( 2158 PWs) bands (ev): -58.7730 -58.7730 -30.2393 -30.2393 -20.5738 -20.5738 -20.4885 -20.4885 5.4713 5.4713 6.7545 6.7545 9.4737 9.4737 10.3182 10.3182 10.6088 10.6088 12.3704 12.3704 13.1424 13.1424 16.7141 16.7141 17.1037 17.1037 17.5869 17.5869 19.8232 19.8232 k = 0.5000 0.2866 0.8254 ( 2162 PWs) bands (ev): -58.7732 -58.7732 -30.2388 -30.2388 -20.5720 -20.5720 -20.4883 -20.4883 5.4935 5.4935 6.6110 6.6110 9.4960 9.4960 10.2867 10.2867 10.8111 10.8111 12.3937 12.3937 13.0843 13.0843 16.6242 16.6242 17.0377 17.0377 17.5568 17.5568 19.9674 19.9674 k = 0.5000 0.2866 0.8103 ( 2162 PWs) bands (ev): -58.7733 -58.7733 -30.2384 -30.2384 -20.5701 -20.5701 -20.4881 -20.4881 5.5167 5.5167 6.4703 6.4703 9.5201 9.5201 10.2512 10.2512 11.0153 11.0153 12.4188 12.4188 13.0313 13.0313 16.5369 16.5369 16.9692 16.9692 17.5252 17.5252 20.1150 20.1150 k = 0.5000 0.2866 0.7953 ( 2162 PWs) bands (ev): -58.7734 -58.7734 -30.2379 -30.2379 -20.5680 -20.5680 -20.4879 -20.4879 5.5406 5.5406 6.3324 6.3324 9.5459 9.5459 10.2118 10.2118 11.2210 11.2210 12.4458 12.4458 12.9844 12.9844 16.4525 16.4525 16.8989 16.8989 17.4922 17.4922 20.2649 20.2649 k = 0.5000 0.2866 0.7803 ( 2156 PWs) bands (ev): -58.7735 -58.7735 -30.2373 -30.2373 -20.5657 -20.5657 -20.4877 -20.4877 5.5647 5.5647 6.1975 6.1975 9.5734 9.5734 10.1688 10.1688 11.4280 11.4280 12.4747 12.4747 12.9444 12.9444 16.3716 16.3716 16.8274 16.8274 17.4580 17.4580 20.4162 20.4162 k = 0.5000 0.2866 0.7653 ( 2156 PWs) bands (ev): -58.7737 -58.7737 -30.2367 -30.2367 -20.5633 -20.5633 -20.4875 -20.4875 5.5887 5.5887 6.0656 6.0656 9.6025 9.6025 10.1225 10.1225 11.6357 11.6357 12.5054 12.5054 12.9122 12.9122 16.2945 16.2945 16.7550 16.7550 17.4226 17.4226 20.5681 20.5681 k = 0.5000 0.2866 0.7503 ( 2156 PWs) bands (ev): -58.7738 -58.7738 -30.2361 -30.2361 -20.5608 -20.5608 -20.4872 -20.4872 5.6116 5.6116 5.9373 5.9373 9.6331 9.6331 10.0737 10.0737 11.8434 11.8434 12.5381 12.5381 12.8884 12.8884 16.2217 16.2217 16.6823 16.6823 17.3862 17.3862 20.7196 20.7196 k = 0.5000 0.2866 0.7353 ( 2152 PWs) bands (ev): -58.7740 -58.7740 -30.2355 -30.2355 -20.5581 -20.5581 -20.4870 -20.4870 5.6312 5.6312 5.8146 5.8146 9.6651 9.6651 10.0232 10.0232 12.0501 12.0501 12.5729 12.5729 12.8736 12.8736 16.1537 16.1537 16.6096 16.6096 17.3489 17.3489 20.8697 20.8697 k = 0.5000 0.2866 0.7203 ( 2148 PWs) bands (ev): -58.7741 -58.7741 -30.2348 -30.2348 -20.5553 -20.5553 -20.4867 -20.4867 5.6301 5.6301 5.7141 5.7141 9.6978 9.6978 9.9724 9.9724 12.2532 12.2532 12.6106 12.6106 12.8689 12.8689 16.0909 16.0909 16.5371 16.5371 17.3108 17.3108 21.0170 21.0170 k = 0.5000 0.2866 0.7053 ( 2148 PWs) bands (ev): -58.7743 -58.7743 -30.2341 -30.2341 -20.5525 -20.5525 -20.4864 -20.4864 5.5462 5.5462 5.6977 5.6977 9.7301 9.7301 9.9235 9.9235 12.4458 12.4458 12.6543 12.6543 12.8773 12.8773 16.0341 16.0341 16.4652 16.4652 17.2720 17.2720 21.1595 21.1595 k = 0.5000 0.2866 0.6903 ( 2148 PWs) bands (ev): -58.7745 -58.7745 -30.2334 -30.2334 -20.5495 -20.5495 -20.4861 -20.4861 5.4330 5.4330 5.7114 5.7114 9.7575 9.7575 9.8818 9.8818 12.6018 12.6018 12.7180 12.7180 12.9098 12.9098 15.9841 15.9841 16.3940 16.3940 17.2326 17.2326 21.2930 21.2930 k = 0.5000 0.2866 0.6753 ( 2148 PWs) bands (ev): -58.7747 -58.7747 -30.2326 -30.2326 -20.5464 -20.5464 -20.4858 -20.4858 5.3187 5.3187 5.7264 5.7264 9.7643 9.7643 9.8644 9.8644 12.6834 12.6834 12.8020 12.8020 13.0024 13.0024 15.9417 15.9417 16.3240 16.3240 17.1928 17.1928 21.4036 21.4036 k = 0.5000 0.2866 0.6603 ( 2148 PWs) bands (ev): -58.7748 -58.7748 -30.2319 -30.2319 -20.5432 -20.5432 -20.4855 -20.4855 5.2060 5.2060 5.7396 5.7396 9.7392 9.7392 9.8833 9.8833 12.7325 12.7325 12.8550 12.8550 13.1625 13.1625 15.9082 15.9082 16.2553 16.2553 17.1527 17.1527 21.4505 21.4505 k = 0.5000 0.2866 0.6453 ( 2140 PWs) bands (ev): -58.7750 -58.7750 -30.2311 -30.2311 -20.5399 -20.5399 -20.4852 -20.4852 5.0957 5.0957 5.7496 5.7496 9.7033 9.7033 9.9188 9.9188 12.7753 12.7753 12.8942 12.8942 13.3446 13.3446 15.8850 15.8850 16.1885 16.1885 17.1124 17.1124 21.4378 21.4378 k = 0.5000 0.2866 0.6303 ( 2136 PWs) bands (ev): -58.7752 -58.7752 -30.2303 -30.2303 -20.5365 -20.5365 -20.4849 -20.4849 4.9878 4.9878 5.7558 5.7558 9.6682 9.6682 9.9601 9.9601 12.8171 12.8171 12.9327 12.9327 13.5276 13.5276 15.8734 15.8734 16.1245 16.1245 17.0721 17.0721 21.4084 21.4084 k = 0.5000 0.2866 0.6153 ( 2136 PWs) bands (ev): -58.7754 -58.7754 -30.2294 -30.2294 -20.5330 -20.5330 -20.4845 -20.4845 4.8825 4.8825 5.7577 5.7577 9.6378 9.6378 10.0044 10.0044 12.8592 12.8592 12.9736 12.9736 13.7035 13.7035 15.8735 15.8735 16.0659 16.0659 17.0318 17.0318 21.3752 21.3752 k = 0.5000 0.2866 0.6003 ( 2140 PWs) bands (ev): -58.7756 -58.7756 -30.2286 -30.2286 -20.5295 -20.5295 -20.4842 -20.4842 4.7798 4.7798 5.7548 5.7548 9.6136 9.6136 10.0508 10.0508 12.9024 12.9024 13.0174 13.0174 13.8676 13.8676 15.8794 15.8794 16.0220 16.0220 16.9918 16.9918 21.3417 21.3417 k = 0.5000 0.2866 0.5852 ( 2144 PWs) bands (ev): -58.7758 -58.7758 -30.2278 -30.2278 -20.5259 -20.5259 -20.4838 -20.4838 4.6798 4.6798 5.7467 5.7467 9.5968 9.5968 10.0990 10.0990 12.9470 12.9470 13.0639 13.0639 14.0158 14.0158 15.8669 15.8669 16.0201 16.0201 16.9521 16.9521 21.3090 21.3090 k = 0.5000 0.2866 0.5702 ( 2148 PWs) bands (ev): -58.7760 -58.7760 -30.2269 -30.2269 -20.5222 -20.5222 -20.4834 -20.4834 4.5824 4.5824 5.7333 5.7333 9.5883 9.5883 10.1488 10.1488 12.9932 12.9932 13.1127 13.1127 14.1448 14.1448 15.8251 15.8251 16.0741 16.0741 16.9130 16.9130 21.2778 21.2778 k = 0.5000 0.2866 0.5552 ( 2148 PWs) bands (ev): -58.7762 -58.7762 -30.2261 -30.2261 -20.5185 -20.5185 -20.4831 -20.4831 4.4876 4.4876 5.7144 5.7144 9.5884 9.5884 10.2000 10.2000 13.0409 13.0409 13.1636 13.1636 14.2527 14.2527 15.7717 15.7717 16.1680 16.1680 16.8745 16.8745 21.2485 21.2485 k = 0.5000 0.2866 0.5402 ( 2144 PWs) bands (ev): -58.7765 -58.7765 -30.2252 -30.2252 -20.5148 -20.5148 -20.4827 -20.4827 4.3954 4.3954 5.6899 5.6899 9.5977 9.5977 10.2526 10.2526 13.0900 13.0900 13.2161 13.2161 14.3393 14.3393 15.7154 15.7154 16.2931 16.2931 16.8367 16.8367 21.2213 21.2213 k = 0.5000 0.2866 0.5252 ( 2152 PWs) bands (ev): -58.7767 -58.7767 -30.2243 -30.2243 -20.5110 -20.5110 -20.4823 -20.4823 4.3059 4.3059 5.6601 5.6601 9.6163 9.6163 10.3063 10.3063 13.1404 13.1404 13.2701 13.2701 14.4063 14.4063 15.6587 15.6587 16.4449 16.4449 16.8001 16.8001 21.1963 21.1963 k = 0.5000 0.2866 0.5102 ( 2148 PWs) bands (ev): -58.7769 -58.7769 -30.2234 -30.2234 -20.5072 -20.5072 -20.4819 -20.4819 4.2190 4.2190 5.6251 5.6251 9.6441 9.6441 10.3613 10.3613 13.1917 13.1917 13.3253 13.3253 14.4565 14.4565 15.6025 15.6025 16.6184 16.6184 16.7658 16.7658 21.1738 21.1738 k = 0.5000 0.2866 0.4952 ( 2146 PWs) bands (ev): -58.7771 -58.7771 -30.2225 -30.2225 -20.5033 -20.5033 -20.4814 -20.4814 4.1348 4.1348 5.5852 5.5852 9.6812 9.6812 10.4173 10.4173 13.2437 13.2437 13.3814 13.3814 14.4934 14.4934 15.5471 15.5471 16.7231 16.7231 16.8204 16.8204 21.1537 21.1537 k = 0.5000 0.2866 0.4802 ( 2150 PWs) bands (ev): -58.7773 -58.7773 -30.2216 -30.2216 -20.4995 -20.4995 -20.4810 -20.4810 4.0531 4.0531 5.5409 5.5409 9.7273 9.7273 10.4743 10.4743 13.2962 13.2962 13.4383 13.4383 14.5202 14.5202 15.4928 15.4928 16.6926 16.6926 17.0269 17.0269 21.1360 21.1360 k = 0.5000 0.2866 0.4652 ( 2154 PWs) bands (ev): -58.7775 -58.7775 -30.2208 -30.2208 -20.4956 -20.4956 -20.4806 -20.4806 3.9741 3.9741 5.4926 5.4926 9.7821 9.7821 10.5322 10.5322 13.3488 13.3488 13.4956 13.4956 14.5396 14.5396 15.4395 15.4395 16.6606 16.6606 17.2488 17.2488 21.1203 21.1203 k = 0.5000 0.2866 0.4502 ( 2158 PWs) bands (ev): -58.7777 -58.7777 -30.2199 -30.2199 -20.4918 -20.4918 -20.4802 -20.4802 3.8977 3.8977 5.4408 5.4408 9.8452 9.8452 10.5910 10.5910 13.4013 13.4013 13.5532 13.5532 14.5539 14.5539 15.3874 15.3874 16.6295 16.6295 17.4810 17.4810 21.1062 21.1062 k = 0.5000 0.2866 0.4352 ( 2162 PWs) bands (ev): -58.7780 -58.7780 -30.2190 -30.2190 -20.4880 -20.4880 -20.4798 -20.4798 3.8238 3.8238 5.3861 5.3861 9.9161 9.9161 10.6505 10.6505 13.4534 13.4534 13.6109 13.6109 14.5648 14.5648 15.3364 15.3364 16.5998 16.5998 17.7212 17.7212 21.0928 21.0928 k = 0.5000 0.2866 0.4202 ( 2160 PWs) bands (ev): -58.7782 -58.7782 -30.2181 -30.2181 -20.4842 -20.4842 -20.4793 -20.4793 3.7526 3.7526 5.3290 5.3290 9.9945 9.9945 10.7107 10.7107 13.5048 13.5048 13.6684 13.6684 14.5737 14.5737 15.2865 15.2865 16.5715 16.5715 17.9677 17.9677 21.0784 21.0784 k = 0.5000 0.2866 0.4052 ( 2160 PWs) bands (ev): -58.7784 -58.7784 -30.2173 -30.2173 -20.4806 -20.4806 -20.4787 -20.4787 3.6839 3.6839 5.2701 5.2701 10.0798 10.0798 10.7714 10.7714 13.5552 13.5552 13.7255 13.7255 14.5815 14.5815 15.2378 15.2378 16.5446 16.5446 18.2190 18.2190 21.0601 21.0601 k = 0.5000 0.2866 0.3902 ( 2160 PWs) bands (ev): -58.7786 -58.7786 -30.2164 -30.2164 -20.4788 -20.4788 -20.4764 -20.4764 3.6178 3.6178 5.2097 5.2097 10.1716 10.1716 10.8326 10.8326 13.6043 13.6043 13.7822 13.7822 14.5890 14.5890 15.1902 15.1902 16.5193 16.5193 18.4737 18.4737 21.0328 21.0328 k = 0.5000 0.2866 0.3752 ( 2156 PWs) bands (ev): -58.7788 -58.7788 -30.2156 -30.2156 -20.4783 -20.4783 -20.4728 -20.4728 3.5543 3.5543 5.1485 5.1485 10.2694 10.2694 10.8941 10.8941 13.6519 13.6519 13.8381 13.8381 14.5966 14.5966 15.1439 15.1439 16.4954 16.4954 18.7304 18.7304 20.9877 20.9877 k = 0.5000 0.2866 0.3602 ( 2156 PWs) bands (ev): -58.7790 -58.7790 -30.2147 -30.2147 -20.4778 -20.4778 -20.4692 -20.4692 3.4933 3.4933 5.0868 5.0868 10.3727 10.3727 10.9559 10.9559 13.6977 13.6977 13.8931 13.8931 14.6047 14.6047 15.0986 15.0986 16.4730 16.4730 18.9872 18.9872 20.9164 20.9164 k = 0.5000 0.2866 0.3451 ( 2152 PWs) bands (ev): -58.7792 -58.7792 -30.2139 -30.2139 -20.4774 -20.4774 -20.4656 -20.4656 3.4349 3.4349 5.0251 5.0251 10.4811 10.4811 11.0178 11.0178 13.7415 13.7415 13.9471 13.9471 14.6135 14.6135 15.0546 15.0546 16.4520 16.4520 19.2414 19.2414 20.8231 20.8231 k = 0.5000 0.2866 0.3301 ( 2160 PWs) bands (ev): -58.7794 -58.7794 -30.2132 -30.2132 -20.4770 -20.4770 -20.4621 -20.4621 3.3791 3.3791 4.9638 4.9638 10.5940 10.5940 11.0796 11.0796 13.7831 13.7831 14.0000 14.0000 14.6230 14.6230 15.0119 15.0119 16.4323 16.4323 19.4878 19.4878 20.7203 20.7203 k = 0.5000 0.2866 0.3151 ( 2160 PWs) bands (ev): -58.7795 -58.7795 -30.2124 -30.2124 -20.4766 -20.4766 -20.4587 -20.4587 3.3257 3.3257 4.9033 4.9033 10.7111 10.7111 11.1413 11.1413 13.8222 13.8222 14.0515 14.0515 14.6333 14.6333 14.9705 14.9705 16.4138 16.4138 19.7152 19.7152 20.6159 20.6159 k = 0.5000 0.2866 0.3001 ( 2166 PWs) bands (ev): -58.7797 -58.7797 -30.2117 -30.2117 -20.4763 -20.4763 -20.4554 -20.4554 3.2749 3.2749 4.8438 4.8438 10.8317 10.8317 11.2028 11.2028 13.8589 13.8589 14.1015 14.1015 14.6442 14.6442 14.9306 14.9306 16.3963 16.3963 19.8958 19.8958 20.5058 20.5058 k = 0.5000 0.2866 0.2851 ( 2166 PWs) bands (ev): -58.7799 -58.7799 -30.2109 -30.2109 -20.4759 -20.4759 -20.4522 -20.4522 3.2267 3.2267 4.7857 4.7857 10.9555 10.9555 11.2639 11.2639 13.8931 13.8931 14.1499 14.1499 14.6554 14.6554 14.8924 14.8924 16.3795 16.3795 19.9789 19.9789 20.3771 20.3771 k = 0.5000 0.2866 0.2701 ( 2162 PWs) bands (ev): -58.7800 -58.7800 -30.2102 -30.2102 -20.4755 -20.4755 -20.4491 -20.4491 3.1809 3.1809 4.7293 4.7293 11.0818 11.0818 11.3246 11.3246 13.9247 13.9247 14.1963 14.1963 14.6666 14.6666 14.8564 14.8564 16.3634 16.3634 19.9432 19.9432 20.2396 20.2396 k = 0.5000 0.2866 0.2551 ( 2162 PWs) bands (ev): -58.7802 -58.7802 -30.2096 -30.2096 -20.4752 -20.4752 -20.4461 -20.4461 3.1377 3.1377 4.6747 4.6747 11.2098 11.2098 11.3851 11.3851 13.9537 13.9537 14.2404 14.2404 14.6771 14.6771 14.8232 14.8232 16.3475 16.3475 19.8280 19.8280 20.1111 20.1111 k = 0.5000 0.2866 0.2401 ( 2166 PWs) bands (ev): -58.7804 -58.7804 -30.2089 -30.2089 -20.4748 -20.4748 -20.4433 -20.4433 3.0969 3.0969 4.6223 4.6223 11.3375 11.3375 11.4465 11.4465 13.9803 13.9803 14.2819 14.2819 14.6857 14.6857 14.7943 14.7943 16.3317 16.3317 19.6729 19.6729 19.9955 19.9955 k = 0.5000 0.2866 0.2251 ( 2168 PWs) bands (ev): -58.7805 -58.7805 -30.2083 -30.2083 -20.4745 -20.4745 -20.4406 -20.4406 3.0587 3.0587 4.5722 4.5722 11.4560 11.4560 11.5170 11.5170 14.0044 14.0044 14.3203 14.3203 14.6899 14.6899 14.7723 14.7723 16.3154 16.3154 19.5011 19.5011 19.8891 19.8891 k = 0.5000 0.2866 0.2101 ( 2172 PWs) bands (ev): -58.7806 -58.7806 -30.2078 -30.2078 -20.4742 -20.4742 -20.4380 -20.4380 3.0230 3.0230 4.5245 4.5245 11.5379 11.5379 11.6233 11.6233 14.0261 14.0261 14.3549 14.3549 14.6860 14.6860 14.7612 14.7612 16.2985 16.2985 19.3243 19.3243 19.7893 19.7893 k = 0.5000 0.2866 0.1951 ( 2168 PWs) bands (ev): -58.7808 -58.7808 -30.2072 -30.2072 -20.4739 -20.4739 -20.4355 -20.4355 2.9897 2.9897 4.4796 4.4796 11.5969 11.5969 11.7504 11.7504 14.0454 14.0454 14.3849 14.3849 14.6749 14.6749 14.7610 14.7610 16.2805 16.2805 19.1488 19.1488 19.6952 19.6952 k = 0.5000 0.2866 0.1801 ( 2164 PWs) bands (ev): -58.7809 -58.7809 -30.2067 -30.2067 -20.4736 -20.4736 -20.4332 -20.4332 2.9590 2.9590 4.4374 4.4374 11.6501 11.6501 11.8806 11.8806 14.0624 14.0624 14.4095 14.4095 14.6621 14.6621 14.7667 14.7667 16.2611 16.2611 18.9782 18.9782 19.6066 19.6066 k = 0.5000 0.2866 0.1651 ( 2162 PWs) bands (ev): -58.7810 -58.7810 -30.2062 -30.2062 -20.4734 -20.4734 -20.4311 -20.4311 2.9307 2.9307 4.3982 4.3982 11.6999 11.6999 12.0101 12.0101 14.0769 14.0769 14.4279 14.4279 14.6522 14.6522 14.7747 14.7747 16.2401 16.2401 18.8148 18.8148 19.5236 19.5236 k = 0.5000 0.2866 0.1501 ( 2166 PWs) bands (ev): -58.7811 -58.7811 -30.2058 -30.2058 -20.4732 -20.4732 -20.4291 -20.4291 2.9049 2.9049 4.3620 4.3620 11.7465 11.7465 12.1373 12.1373 14.0889 14.0889 14.4399 14.4399 14.6468 14.6468 14.7832 14.7832 16.2172 16.2172 18.6608 18.6608 19.4465 19.4465 k = 0.5000 0.2866 0.1351 ( 2164 PWs) bands (ev): -58.7812 -58.7812 -30.2054 -30.2054 -20.4730 -20.4730 -20.4273 -20.4273 2.8815 2.8815 4.3290 4.3290 11.7899 11.7899 12.2609 12.2609 14.0983 14.0983 14.4467 14.4467 14.6456 14.6456 14.7917 14.7917 16.1924 16.1924 18.5177 18.5177 19.3757 19.3757 k = 0.5000 0.2866 0.1201 ( 2168 PWs) bands (ev): -58.7813 -58.7813 -30.2050 -30.2050 -20.4728 -20.4728 -20.4257 -20.4257 2.8607 2.8607 4.2992 4.2992 11.8299 11.8299 12.3794 12.3794 14.1051 14.1051 14.4504 14.4504 14.6470 14.6470 14.7998 14.7998 16.1659 16.1659 18.3869 18.3869 19.3113 19.3113 k = 0.5000 0.2866 0.1050 ( 2172 PWs) bands (ev): -58.7814 -58.7814 -30.2047 -30.2047 -20.4726 -20.4726 -20.4243 -20.4243 2.8423 2.8423 4.2728 4.2728 11.8662 11.8662 12.4911 12.4911 14.1092 14.1092 14.4532 14.4532 14.6486 14.6486 14.8074 14.8074 16.1381 16.1381 18.2696 18.2696 19.2537 19.2537 k = 0.5000 0.2866 0.0900 ( 2174 PWs) bands (ev): -58.7814 -58.7814 -30.2045 -30.2045 -20.4725 -20.4725 -20.4230 -20.4230 2.8263 2.8263 4.2497 4.2497 11.8984 11.8984 12.5943 12.5943 14.1109 14.1109 14.4571 14.4571 14.6487 14.6487 14.8145 14.8145 16.1098 16.1098 18.1669 18.1669 19.2031 19.2031 k = 0.5000 0.2866 0.0750 ( 2174 PWs) bands (ev): -58.7815 -58.7815 -30.2042 -30.2042 -20.4724 -20.4724 -20.4220 -20.4220 2.8128 2.8128 4.2301 4.2301 11.9263 11.9263 12.6871 12.6871 14.1105 14.1105 14.4634 14.4634 14.6460 14.6460 14.8210 14.8210 16.0821 16.0821 18.0794 18.0794 19.1599 19.1599 k = 0.5000 0.2866 0.0600 ( 2174 PWs) bands (ev): -58.7815 -58.7815 -30.2040 -30.2040 -20.4723 -20.4723 -20.4211 -20.4211 2.8018 2.8018 4.2140 4.2140 11.9496 11.9496 12.7672 12.7672 14.1087 14.1087 14.4723 14.4723 14.6400 14.6400 14.8268 14.8268 16.0563 16.0563 18.0076 18.0076 19.1242 19.1242 k = 0.5000 0.2866 0.0450 ( 2174 PWs) bands (ev): -58.7816 -58.7816 -30.2039 -30.2039 -20.4722 -20.4722 -20.4204 -20.4204 2.7932 2.7932 4.2015 4.2015 11.9680 11.9680 12.8325 12.8325 14.1061 14.1061 14.4835 14.4835 14.6310 14.6310 14.8316 14.8316 16.0341 16.0341 17.9517 17.9517 19.0962 19.0962 k = 0.5000 0.2866 0.0300 ( 2182 PWs) bands (ev): -58.7816 -58.7816 -30.2038 -30.2038 -20.4721 -20.4721 -20.4199 -20.4199 2.7871 2.7871 4.1925 4.1925 11.9813 11.9813 12.8810 12.8810 14.1035 14.1035 14.4955 14.4955 14.6206 14.6206 14.8352 14.8352 16.0169 16.0169 17.9118 17.9118 19.0762 19.0762 k = 0.5000 0.2866 0.0150 ( 2182 PWs) bands (ev): -58.7816 -58.7816 -30.2037 -30.2037 -20.4721 -20.4721 -20.4196 -20.4196 2.7834 2.7834 4.1871 4.1871 11.9893 11.9893 12.9108 12.9108 14.1016 14.1016 14.5056 14.5056 14.6114 14.6114 14.8374 14.8374 16.0059 16.0059 17.8879 17.8879 19.0640 19.0640 k = 0.5000 0.2866 0.0000 ( 2178 PWs) bands (ev): -58.7816 -58.7816 -30.2037 -30.2037 -20.4721 -20.4721 -20.4195 -20.4195 2.7822 2.7822 4.1853 4.1853 11.9920 11.9920 12.9209 12.9209 14.1010 14.1010 14.5097 14.5097 14.6076 14.6076 14.8382 14.8382 16.0022 16.0022 17.8800 17.8800 19.0600 19.0600 k = 0.0000 0.0000 1.0055 ( 2146 PWs) bands (ev): -58.7724 -58.7724 -30.2416 -30.2416 -20.5836 -20.5836 -20.4893 -20.4893 5.3409 5.3409 8.4273 8.4273 8.6113 8.6113 9.3633 9.3633 10.4552 10.4552 12.2483 12.2483 13.6508 13.6508 17.4792 17.4792 17.5776 17.5776 17.7179 17.7179 18.8315 18.8315 k = 0.0125 0.0072 1.0055 ( 2138 PWs) bands (ev): -58.7724 -58.7724 -30.2416 -30.2416 -20.5836 -20.5836 -20.4893 -20.4893 5.3415 5.3415 8.4218 8.4218 8.6122 8.6122 9.3616 9.3616 10.4643 10.4643 12.2508 12.2508 13.6487 13.6487 17.4029 17.4029 17.5646 17.5646 17.7909 17.7909 18.8376 18.8376 k = 0.0250 0.0143 1.0055 ( 2138 PWs) bands (ev): -58.7724 -58.7724 -30.2416 -30.2416 -20.5836 -20.5836 -20.4893 -20.4893 5.3432 5.3432 8.4059 8.4059 8.6148 8.6148 9.3565 9.3565 10.4912 10.4912 12.2581 12.2581 13.6425 13.6425 17.2482 17.2482 17.5603 17.5603 17.9019 17.9019 18.8549 18.8549 k = 0.0375 0.0215 1.0055 ( 2138 PWs) bands (ev): -58.7724 -58.7724 -30.2416 -30.2416 -20.5836 -20.5836 -20.4893 -20.4893 5.3461 5.3461 8.3804 8.3804 8.6192 8.6192 9.3481 9.3481 10.5348 10.5348 12.2702 12.2702 13.6323 13.6323 17.0712 17.0712 17.5594 17.5594 18.0014 18.0014 18.8805 18.8805 k = 0.0500 0.0287 1.0055 ( 2142 PWs) bands (ev): -58.7724 -58.7724 -30.2416 -30.2416 -20.5836 -20.5836 -20.4893 -20.4893 5.3500 5.3500 8.3467 8.3467 8.6252 8.6252 9.3368 9.3368 10.5937 10.5937 12.2871 12.2871 13.6181 13.6181 16.8841 16.8841 17.5595 17.5595 18.0831 18.0831 18.9104 18.9104 k = 0.0625 0.0358 1.0055 ( 2142 PWs) bands (ev): -58.7724 -58.7724 -30.2416 -30.2416 -20.5836 -20.5836 -20.4893 -20.4893 5.3550 5.3550 8.3066 8.3066 8.6330 8.6330 9.3226 9.3226 10.6658 10.6658 12.3084 12.3084 13.6001 13.6001 16.6916 16.6916 17.5598 17.5598 18.1477 18.1477 18.9415 18.9415 k = 0.0750 0.0430 1.0055 ( 2150 PWs) bands (ev): -58.7724 -58.7724 -30.2416 -30.2416 -20.5836 -20.5836 -20.4893 -20.4893 5.3608 5.3608 8.2618 8.2618 8.6424 8.6424 9.3059 9.3059 10.7492 10.7492 12.3340 12.3340 13.5783 13.5783 16.4964 16.4964 17.5604 17.5604 18.1984 18.1984 18.9722 18.9722 k = 0.0875 0.0502 1.0055 ( 2154 PWs) bands (ev): -58.7725 -58.7725 -30.2416 -30.2416 -20.5836 -20.5836 -20.4893 -20.4893 5.3675 5.3675 8.2138 8.2138 8.6534 8.6534 9.2869 9.2869 10.8421 10.8421 12.3636 12.3636 13.5530 13.5530 16.3005 16.3005 17.5611 17.5611 18.2383 18.2383 19.0024 19.0024 k = 0.1000 0.0573 1.0055 ( 2156 PWs) bands (ev): -58.7725 -58.7725 -30.2416 -30.2416 -20.5836 -20.5836 -20.4894 -20.4894 5.3748 5.3748 8.1642 8.1642 8.6660 8.6660 9.2659 9.2659 10.9426 10.9426 12.3970 12.3970 13.5244 13.5244 16.1055 16.1055 17.5619 17.5619 18.2702 18.2702 19.0328 19.0328 k = 0.1125 0.0645 1.0055 ( 2156 PWs) bands (ev): -58.7725 -58.7725 -30.2416 -30.2416 -20.5836 -20.5836 -20.4894 -20.4894 5.3826 5.3826 8.1144 8.1144 8.6802 8.6802 9.2431 9.2431 11.0490 11.0490 12.4338 12.4338 13.4927 13.4927 15.9129 15.9129 17.5626 17.5626 18.2963 18.2963 19.0638 19.0638 k = 0.1250 0.0716 1.0055 ( 2146 PWs) bands (ev): -58.7724 -58.7724 -30.2416 -30.2416 -20.5836 -20.5836 -20.4893 -20.4893 5.3907 5.3907 8.0654 8.0654 8.6959 8.6959 9.2188 9.2188 11.1594 11.1594 12.4738 12.4738 13.4581 13.4581 15.7240 15.7240 17.5634 17.5634 18.3180 18.3180 19.0963 19.0963 k = 0.1375 0.0788 1.0055 ( 2146 PWs) bands (ev): -58.7724 -58.7724 -30.2416 -30.2416 -20.5836 -20.5836 -20.4893 -20.4893 5.3989 5.3989 8.0184 8.0184 8.7130 8.7130 9.1932 9.1932 11.2721 11.2721 12.5166 12.5166 13.4210 13.4210 15.5405 15.5405 17.5642 17.5642 18.3362 18.3362 19.1305 19.1305 k = 0.1500 0.0860 1.0055 ( 2146 PWs) bands (ev): -58.7724 -58.7724 -30.2416 -30.2416 -20.5836 -20.5836 -20.4893 -20.4893 5.4071 5.4071 7.9740 7.9740 8.7315 8.7315 9.1666 9.1666 11.3853 11.3853 12.5617 12.5617 13.3818 13.3818 15.3638 15.3638 17.5650 17.5650 18.3515 18.3515 19.1668 19.1668 k = 0.1625 0.0931 1.0055 ( 2152 PWs) bands (ev): -58.7725 -58.7725 -30.2416 -30.2416 -20.5836 -20.5836 -20.4893 -20.4893 5.4149 5.4149 7.9332 7.9332 8.7512 8.7512 9.1392 9.1392 11.4968 11.4968 12.6088 12.6088 13.3408 13.3408 15.1959 15.1959 17.5657 17.5657 18.3645 18.3645 19.2053 19.2053 k = 0.1750 0.1003 1.0055 ( 2154 PWs) bands (ev): -58.7725 -58.7725 -30.2416 -30.2416 -20.5836 -20.5836 -20.4893 -20.4893 5.4223 5.4223 7.8965 7.8965 8.7720 8.7720 9.1115 9.1115 11.6042 11.6042 12.6574 12.6574 13.2985 13.2985 15.0391 15.0391 17.5663 17.5663 18.3754 18.3754 19.2460 19.2460 k = 0.1875 0.1075 1.0055 ( 2148 PWs) bands (ev): -58.7724 -58.7724 -30.2416 -30.2416 -20.5836 -20.5836 -20.4893 -20.4893 5.4290 5.4290 7.8646 7.8646 8.7938 8.7938 9.0836 9.0836 11.7046 11.7046 12.7066 12.7066 13.2555 13.2555 14.8961 14.8961 17.5669 17.5669 18.3844 18.3844 19.2885 19.2885 k = 0.2000 0.1146 1.0055 ( 2148 PWs) bands (ev): -58.7724 -58.7724 -30.2416 -30.2416 -20.5836 -20.5836 -20.4893 -20.4893 5.4348 5.4348 7.8378 7.8378 8.8163 8.8163 9.0560 9.0560 11.7947 11.7947 12.7556 12.7556 13.2127 13.2127 14.7703 14.7703 17.5673 17.5673 18.3916 18.3916 19.3323 19.3323 k = 0.2125 0.1218 1.0055 ( 2144 PWs) bands (ev): -58.7724 -58.7724 -30.2416 -30.2416 -20.5836 -20.5836 -20.4893 -20.4893 5.4394 5.4394 7.8165 7.8165 8.8389 8.8389 9.0292 9.0292 11.8708 11.8708 12.8027 12.8027 13.1713 13.1713 14.6656 14.6656 17.5677 17.5677 18.3971 18.3971 19.3764 19.3764 k = 0.2250 0.1290 1.0055 ( 2144 PWs) bands (ev): -58.7724 -58.7724 -30.2416 -30.2416 -20.5836 -20.5836 -20.4893 -20.4893 5.4429 5.4429 7.8011 7.8011 8.8607 8.8607 9.0045 9.0045 11.9289 11.9289 12.8450 12.8450 13.1337 13.1337 14.5864 14.5864 17.5680 17.5680 18.4010 18.4010 19.4183 19.4183 k = 0.2375 0.1361 1.0055 ( 2144 PWs) bands (ev): -58.7724 -58.7724 -30.2416 -30.2416 -20.5836 -20.5836 -20.4893 -20.4893 5.4451 5.4451 7.7917 7.7917 8.8788 8.8788 8.9846 8.9846 11.9656 11.9656 12.8771 12.8771 13.1048 13.1048 14.5368 14.5368 17.5681 17.5681 18.4034 18.4034 19.4525 19.4525 k = 0.2500 0.1433 1.0055 ( 2144 PWs) bands (ev): -58.7724 -58.7724 -30.2416 -30.2416 -20.5836 -20.5836 -20.4893 -20.4893 5.4458 5.4458 7.7886 7.7886 8.8870 8.8870 8.9758 8.9758 11.9781 11.9781 12.8895 12.8895 13.0935 13.0935 14.5199 14.5199 17.5682 17.5682 18.4041 18.4041 19.4671 19.4671 Writing output data file Ge2W.save init_run : 0.16s CPU 0.34s WALL ( 1 calls) electrons : 87.29s CPU 88.77s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 87.28s CPU 88.76s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 432 calls) cegterg : 75.74s CPU 76.70s WALL ( 444 calls) Called by sum_band: Called by *egterg: h_psi : 56.91s CPU 57.90s WALL ( 7136 calls) s_psi : 0.99s CPU 0.92s WALL ( 7136 calls) g_psi : 0.06s CPU 0.08s WALL ( 6260 calls) cdiaghg : 22.03s CPU 22.39s WALL ( 6692 calls) cegterg:over : 1.72s CPU 1.71s WALL ( 6260 calls) cegterg:upda : 1.12s CPU 1.20s WALL ( 6260 calls) cegterg:last : 0.80s CPU 0.77s WALL ( 1308 calls) cdiaghg:chol : 1.12s CPU 1.14s WALL ( 6692 calls) cdiaghg:inve : 0.46s CPU 0.48s WALL ( 6692 calls) cdiaghg:para : 1.38s CPU 1.37s WALL ( 13384 calls) Called by h_psi: h_psi:vloc : 54.73s CPU 55.58s WALL ( 7136 calls) h_psi:vnl : 2.16s CPU 2.28s WALL ( 7136 calls) add_vuspsi : 1.12s CPU 1.18s WALL ( 7136 calls) General routines calbec : 1.02s CPU 1.09s WALL ( 7136 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 51.44s CPU 52.27s WALL ( 511876 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.11s WALL ( 864 calls) Parallel routines fft_scatter : 16.41s CPU 16.64s WALL ( 511899 calls) PWSCF : 1m37.72s CPU 1m57.89s WALL This run was terminated on: 19: 8:48 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=