Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:20:11 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: ./SrxCoSix2.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 73 73 20 1486 1486 225 Max 74 74 21 1488 1488 228 Sum 2657 2657 753 53539 53539 8161 bravais-lattice index = 14 lattice parameter (alat) = 11.1654 a.u. unit-cell volume = 553.9196 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.165442 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.773811 celldm(5)= -0.773811 celldm(6)= 0.547622 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.547622 0.836726 0.000000 ) a(3) = ( -0.773811 -0.418363 0.475593 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.654482 1.051318 ) b(2) = ( 0.000000 1.195134 1.051318 ) b(3) = ( 0.000000 0.000000 2.102637 ) PseudoPot. # 1 for Co read from file: /users/gautes/Pseudo/Co.rel-pbe-oncvpsp.UPF MD5 check sum: 638ceb3e57836b9ea4bada7149e48805 Pseudo is Norm-conserving, Zval = 17.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1388 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 PseudoPot. # 2 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Co 17.00 58.93320 Co( 1.00) Si 4.00 28.08550 Si( 1.00) Sr 10.00 87.62000 Sr( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 360 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 2) = ( 0.0000000 0.0000000 0.0187735), wk = 0.0027778 k( 3) = ( 0.0000000 0.0000000 0.0375471), wk = 0.0027778 k( 4) = ( 0.0000000 0.0000000 0.0563206), wk = 0.0027778 k( 5) = ( 0.0000000 0.0000000 0.0750942), wk = 0.0027778 k( 6) = ( 0.0000000 0.0000000 0.0938677), wk = 0.0027778 k( 7) = ( 0.0000000 0.0000000 0.1126412), wk = 0.0027778 k( 8) = ( 0.0000000 0.0000000 0.1314148), wk = 0.0027778 k( 9) = ( 0.0000000 0.0000000 0.1501883), wk = 0.0027778 k( 10) = ( 0.0000000 0.0000000 0.1689619), wk = 0.0027778 k( 11) = ( 0.0000000 0.0000000 0.1877354), wk = 0.0027778 k( 12) = ( 0.0000000 0.0000000 0.2065090), wk = 0.0027778 k( 13) = ( 0.0000000 0.0000000 0.2252825), wk = 0.0027778 k( 14) = ( 0.0000000 0.0000000 0.2440560), wk = 0.0027778 k( 15) = ( 0.0000000 0.0000000 0.2628296), wk = 0.0027778 k( 16) = ( 0.0000000 0.0000000 0.2816031), wk = 0.0027778 k( 17) = ( 0.0000000 0.0000000 0.3003766), wk = 0.0027778 k( 18) = ( 0.0000000 0.0000000 0.3191502), wk = 0.0027778 k( 19) = ( 0.0000000 0.0000000 0.3379237), wk = 0.0027778 k( 20) = ( 0.0000000 0.0000000 0.3566973), wk = 0.0027778 k( 21) = ( 0.0000000 0.0000000 0.3754708), wk = 0.0027778 k( 22) = ( 0.0000000 0.0000000 0.3942443), wk = 0.0027778 k( 23) = ( 0.0000000 0.0000000 0.4130179), wk = 0.0027778 k( 24) = ( 0.0000000 0.0000000 0.4317914), wk = 0.0027778 k( 25) = ( 0.0000000 0.0000000 0.4505650), wk = 0.0027778 k( 26) = ( 0.0000000 0.0000000 0.4693385), wk = 0.0027778 k( 27) = ( 0.0000000 0.0000000 0.4881121), wk = 0.0027778 k( 28) = ( 0.0000000 0.0000000 0.5068856), wk = 0.0027778 k( 29) = ( 0.0000000 0.0000000 0.5256591), wk = 0.0027778 k( 30) = ( 0.0000000 0.0000000 0.5444327), wk = 0.0027778 k( 31) = ( 0.0000000 0.0000000 0.5632062), wk = 0.0027778 k( 32) = ( 0.0000000 0.0000000 0.5819797), wk = 0.0027778 k( 33) = ( 0.0000000 0.0000000 0.6007533), wk = 0.0027778 k( 34) = ( 0.0000000 0.0000000 0.6195268), wk = 0.0027778 k( 35) = ( 0.0000000 0.0000000 0.6383004), wk = 0.0027778 k( 36) = ( 0.0000000 0.0000000 0.6570739), wk = 0.0027778 k( 37) = ( 0.0000000 0.0000000 0.6758474), wk = 0.0027778 k( 38) = ( 0.0000000 0.0000000 0.6946210), wk = 0.0027778 k( 39) = ( 0.0000000 0.0000000 0.7133945), wk = 0.0027778 k( 40) = ( 0.0000000 0.0000000 0.7321681), wk = 0.0027778 k( 41) = ( 0.0000000 0.0000000 0.7509416), wk = 0.0027778 k( 42) = ( 0.0000000 0.0000000 0.7697152), wk = 0.0027778 k( 43) = ( 0.0000000 0.0000000 0.7884887), wk = 0.0027778 k( 44) = ( 0.0000000 0.0000000 0.8072622), wk = 0.0027778 k( 45) = ( 0.0000000 0.0000000 0.8260358), wk = 0.0027778 k( 46) = ( 0.0000000 0.0000000 0.8448093), wk = 0.0027778 k( 47) = ( 0.0000000 0.0000000 0.8635829), wk = 0.0027778 k( 48) = ( 0.0000000 0.0000000 0.8823564), wk = 0.0027778 k( 49) = ( 0.0000000 0.0000000 0.9011299), wk = 0.0027778 k( 50) = ( 0.0000000 0.0000000 0.9199035), wk = 0.0027778 k( 51) = ( 0.0000000 0.0000000 0.9386770), wk = 0.0027778 k( 52) = ( 0.0000000 0.0000000 0.9574505), wk = 0.0027778 k( 53) = ( 0.0000000 0.0000000 0.9762241), wk = 0.0027778 k( 54) = ( 0.0000000 0.0000000 0.9949976), wk = 0.0027778 k( 55) = ( 0.0000000 0.0000000 1.0137712), wk = 0.0027778 k( 56) = ( 0.0000000 0.0000000 1.0325447), wk = 0.0027778 k( 57) = ( 0.0000000 0.0000000 1.0513183), wk = 0.0027778 k( 58) = ( 0.0000000 0.0000000 1.0513183), wk = 0.0027778 k( 59) = ( -0.0081196 0.0150181 1.0513183), wk = 0.0027778 k( 60) = ( -0.0162392 0.0300363 1.0513183), wk = 0.0027778 k( 61) = ( -0.0243588 0.0450544 1.0513183), wk = 0.0027778 k( 62) = ( -0.0324784 0.0600725 1.0513183), wk = 0.0027778 k( 63) = ( -0.0405980 0.0750906 1.0513183), wk = 0.0027778 k( 64) = ( -0.0487175 0.0901088 1.0513183), wk = 0.0027778 k( 65) = ( -0.0568372 0.1051269 1.0513183), wk = 0.0027778 k( 66) = ( -0.0649567 0.1201450 1.0513183), wk = 0.0027778 k( 67) = ( -0.0730763 0.1351632 1.0513183), wk = 0.0027778 k( 68) = ( -0.0730763 0.1351632 1.0513183), wk = 0.0027778 k( 69) = ( -0.0793546 0.1467756 1.0381173), wk = 0.0027778 k( 70) = ( -0.0856329 0.1583880 1.0249163), wk = 0.0027778 k( 71) = ( -0.0919112 0.1700004 1.0117154), wk = 0.0027778 k( 72) = ( -0.0981895 0.1816129 0.9985144), wk = 0.0027778 k( 73) = ( -0.1044678 0.1932253 0.9853134), wk = 0.0027778 k( 74) = ( -0.1107461 0.2048377 0.9721125), wk = 0.0027778 k( 75) = ( -0.1170244 0.2164502 0.9589115), wk = 0.0027778 k( 76) = ( -0.1233026 0.2280626 0.9457106), wk = 0.0027778 k( 77) = ( -0.1295809 0.2396750 0.9325096), wk = 0.0027778 k( 78) = ( -0.1358592 0.2512874 0.9193087), wk = 0.0027778 k( 79) = ( -0.1421375 0.2628998 0.9061077), wk = 0.0027778 k( 80) = ( -0.1484158 0.2745123 0.8929067), wk = 0.0027778 k( 81) = ( -0.1546941 0.2861247 0.8797058), wk = 0.0027778 k( 82) = ( -0.1609724 0.2977371 0.8665048), wk = 0.0027778 k( 83) = ( -0.1672507 0.3093496 0.8533038), wk = 0.0027778 k( 84) = ( -0.1735290 0.3209620 0.8401029), wk = 0.0027778 k( 85) = ( -0.1798073 0.3325744 0.8269019), wk = 0.0027778 k( 86) = ( -0.1860855 0.3441868 0.8137010), wk = 0.0027778 k( 87) = ( -0.1923638 0.3557993 0.8005000), wk = 0.0027778 k( 88) = ( -0.1986421 0.3674117 0.7872991), wk = 0.0027778 k( 89) = ( -0.2049204 0.3790241 0.7740981), wk = 0.0027778 k( 90) = ( -0.2111987 0.3906365 0.7608971), wk = 0.0027778 k( 91) = ( -0.2174770 0.4022490 0.7476962), wk = 0.0027778 k( 92) = ( -0.2237553 0.4138614 0.7344952), wk = 0.0027778 k( 93) = ( -0.2300336 0.4254738 0.7212943), wk = 0.0027778 k( 94) = ( -0.2363118 0.4370862 0.7080933), wk = 0.0027778 k( 95) = ( -0.2425901 0.4486987 0.6948923), wk = 0.0027778 k( 96) = ( -0.2488684 0.4603111 0.6816914), wk = 0.0027778 k( 97) = ( -0.2551467 0.4719235 0.6684904), wk = 0.0027778 k( 98) = ( -0.2614250 0.4835359 0.6552894), wk = 0.0027778 k( 99) = ( -0.2677033 0.4951484 0.6420885), wk = 0.0027778 k( 100) = ( -0.2739816 0.5067608 0.6288875), wk = 0.0027778 k( 101) = ( -0.2802599 0.5183732 0.6156866), wk = 0.0027778 k( 102) = ( -0.2865382 0.5299857 0.6024856), wk = 0.0027778 k( 103) = ( -0.2865382 0.5299857 0.6024856), wk = 0.0027778 k( 104) = ( -0.2803091 0.5184642 0.5893881), wk = 0.0027778 k( 105) = ( -0.2740800 0.5069428 0.5762906), wk = 0.0027778 k( 106) = ( -0.2678509 0.4954214 0.5631931), wk = 0.0027778 k( 107) = ( -0.2616218 0.4838999 0.5500955), wk = 0.0027778 k( 108) = ( -0.2553927 0.4723785 0.5369980), wk = 0.0027778 k( 109) = ( -0.2491636 0.4608571 0.5239005), wk = 0.0027778 k( 110) = ( -0.2429345 0.4493357 0.5108030), wk = 0.0027778 k( 111) = ( -0.2367054 0.4378142 0.4977055), wk = 0.0027778 k( 112) = ( -0.2304763 0.4262928 0.4846080), wk = 0.0027778 k( 113) = ( -0.2242473 0.4147714 0.4715105), wk = 0.0027778 k( 114) = ( -0.2180182 0.4032500 0.4584130), wk = 0.0027778 k( 115) = ( -0.2117891 0.3917285 0.4453155), wk = 0.0027778 k( 116) = ( -0.2055600 0.3802071 0.4322179), wk = 0.0027778 k( 117) = ( -0.1993309 0.3686857 0.4191204), wk = 0.0027778 k( 118) = ( -0.1931018 0.3571642 0.4060229), wk = 0.0027778 k( 119) = ( -0.1868727 0.3456428 0.3929254), wk = 0.0027778 k( 120) = ( -0.1806436 0.3341214 0.3798279), wk = 0.0027778 k( 121) = ( -0.1744145 0.3226000 0.3667304), wk = 0.0027778 k( 122) = ( -0.1681854 0.3110785 0.3536329), wk = 0.0027778 k( 123) = ( -0.1619563 0.2995571 0.3405353), wk = 0.0027778 k( 124) = ( -0.1557273 0.2880357 0.3274378), wk = 0.0027778 k( 125) = ( -0.1494982 0.2765142 0.3143403), wk = 0.0027778 k( 126) = ( -0.1432691 0.2649928 0.3012428), wk = 0.0027778 k( 127) = ( -0.1370400 0.2534714 0.2881453), wk = 0.0027778 k( 128) = ( -0.1308109 0.2419500 0.2750478), wk = 0.0027778 k( 129) = ( -0.1245818 0.2304285 0.2619503), wk = 0.0027778 k( 130) = ( -0.1183527 0.2189071 0.2488527), wk = 0.0027778 k( 131) = ( -0.1121236 0.2073857 0.2357552), wk = 0.0027778 k( 132) = ( -0.1058945 0.1958643 0.2226577), wk = 0.0027778 k( 133) = ( -0.0996655 0.1843428 0.2095602), wk = 0.0027778 k( 134) = ( -0.0934364 0.1728214 0.1964627), wk = 0.0027778 k( 135) = ( -0.0872073 0.1613000 0.1833652), wk = 0.0027778 k( 136) = ( -0.0809782 0.1497786 0.1702677), wk = 0.0027778 k( 137) = ( -0.0747491 0.1382571 0.1571702), wk = 0.0027778 k( 138) = ( -0.0685200 0.1267357 0.1440727), wk = 0.0027778 k( 139) = ( -0.0622909 0.1152143 0.1309751), wk = 0.0027778 k( 140) = ( -0.0560618 0.1036929 0.1178776), wk = 0.0027778 k( 141) = ( -0.0498327 0.0921714 0.1047801), wk = 0.0027778 k( 142) = ( -0.0436036 0.0806500 0.0916826), wk = 0.0027778 k( 143) = ( -0.0373745 0.0691286 0.0785851), wk = 0.0027778 k( 144) = ( -0.0311455 0.0576071 0.0654876), wk = 0.0027778 k( 145) = ( -0.0249164 0.0460857 0.0523900), wk = 0.0027778 k( 146) = ( -0.0186873 0.0345643 0.0392925), wk = 0.0027778 k( 147) = ( -0.0124582 0.0230429 0.0261950), wk = 0.0027778 k( 148) = ( -0.0062291 0.0115214 0.0130975), wk = 0.0027778 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 151) = ( 0.0161290 0.0087202 -0.0000000), wk = 0.0027778 k( 152) = ( 0.0322581 0.0174404 -0.0000000), wk = 0.0027778 k( 153) = ( 0.0483871 0.0261606 -0.0000000), wk = 0.0027778 k( 154) = ( 0.0645161 0.0348808 -0.0000000), wk = 0.0027778 k( 155) = ( 0.0806452 0.0436010 -0.0000000), wk = 0.0027778 k( 156) = ( 0.0967742 0.0523212 -0.0000000), wk = 0.0027778 k( 157) = ( 0.1129032 0.0610414 -0.0000000), wk = 0.0027778 k( 158) = ( 0.1290323 0.0697616 -0.0000000), wk = 0.0027778 k( 159) = ( 0.1451613 0.0784818 -0.0000000), wk = 0.0027778 k( 160) = ( 0.1612903 0.0872020 -0.0000000), wk = 0.0027778 k( 161) = ( 0.1774194 0.0959222 -0.0000000), wk = 0.0027778 k( 162) = ( 0.1935484 0.1046425 -0.0000000), wk = 0.0027778 k( 163) = ( 0.2096774 0.1133627 -0.0000000), wk = 0.0027778 k( 164) = ( 0.2258064 0.1220829 -0.0000000), wk = 0.0027778 k( 165) = ( 0.2419355 0.1308031 -0.0000000), wk = 0.0027778 k( 166) = ( 0.2580645 0.1395233 -0.0000000), wk = 0.0027778 k( 167) = ( 0.2741936 0.1482435 -0.0000000), wk = 0.0027778 k( 168) = ( 0.2903226 0.1569637 -0.0000000), wk = 0.0027778 k( 169) = ( 0.3064516 0.1656839 -0.0000000), wk = 0.0027778 k( 170) = ( 0.3225807 0.1744041 -0.0000000), wk = 0.0027778 k( 171) = ( 0.3387097 0.1831243 -0.0000000), wk = 0.0027778 k( 172) = ( 0.3548387 0.1918445 -0.0000000), wk = 0.0027778 k( 173) = ( 0.3709677 0.2005647 -0.0000000), wk = 0.0027778 k( 174) = ( 0.3870968 0.2092849 -0.0000000), wk = 0.0027778 k( 175) = ( 0.4032258 0.2180051 -0.0000000), wk = 0.0027778 k( 176) = ( 0.4193548 0.2267253 -0.0000000), wk = 0.0027778 k( 177) = ( 0.4354839 0.2354455 -0.0000000), wk = 0.0027778 k( 178) = ( 0.4516129 0.2441657 -0.0000000), wk = 0.0027778 k( 179) = ( 0.4677419 0.2528859 -0.0000000), wk = 0.0027778 k( 180) = ( 0.4838710 0.2616061 -0.0000000), wk = 0.0027778 k( 181) = ( 0.5000000 0.2703263 0.0000000), wk = 0.0027778 k( 182) = ( 0.5000000 0.2703263 0.0000000), wk = 0.0027778 k( 183) = ( 0.4937217 0.2819388 0.0132010), wk = 0.0027778 k( 184) = ( 0.4874434 0.2935512 0.0264019), wk = 0.0027778 k( 185) = ( 0.4811651 0.3051636 0.0396029), wk = 0.0027778 k( 186) = ( 0.4748868 0.3167761 0.0528038), wk = 0.0027778 k( 187) = ( 0.4686086 0.3283885 0.0660048), wk = 0.0027778 k( 188) = ( 0.4623303 0.3400009 0.0792058), wk = 0.0027778 k( 189) = ( 0.4560520 0.3516133 0.0924067), wk = 0.0027778 k( 190) = ( 0.4497737 0.3632257 0.1056077), wk = 0.0027778 k( 191) = ( 0.4434954 0.3748382 0.1188086), wk = 0.0027778 k( 192) = ( 0.4372171 0.3864506 0.1320096), wk = 0.0027778 k( 193) = ( 0.4309388 0.3980630 0.1452106), wk = 0.0027778 k( 194) = ( 0.4246605 0.4096755 0.1584115), wk = 0.0027778 k( 195) = ( 0.4183822 0.4212879 0.1716125), wk = 0.0027778 k( 196) = ( 0.4121039 0.4329003 0.1848134), wk = 0.0027778 k( 197) = ( 0.4058257 0.4445127 0.1980144), wk = 0.0027778 k( 198) = ( 0.3995474 0.4561252 0.2112154), wk = 0.0027778 k( 199) = ( 0.3932691 0.4677376 0.2244163), wk = 0.0027778 k( 200) = ( 0.3869908 0.4793500 0.2376173), wk = 0.0027778 k( 201) = ( 0.3807125 0.4909624 0.2508183), wk = 0.0027778 k( 202) = ( 0.3744342 0.5025749 0.2640192), wk = 0.0027778 k( 203) = ( 0.3681559 0.5141873 0.2772202), wk = 0.0027778 k( 204) = ( 0.3618776 0.5257997 0.2904211), wk = 0.0027778 k( 205) = ( 0.3555993 0.5374121 0.3036221), wk = 0.0027778 k( 206) = ( 0.3493211 0.5490246 0.3168230), wk = 0.0027778 k( 207) = ( 0.3430428 0.5606370 0.3300240), wk = 0.0027778 k( 208) = ( 0.3367645 0.5722494 0.3432250), wk = 0.0027778 k( 209) = ( 0.3304862 0.5838618 0.3564259), wk = 0.0027778 k( 210) = ( 0.3242079 0.5954743 0.3696269), wk = 0.0027778 k( 211) = ( 0.3179296 0.6070867 0.3828278), wk = 0.0027778 k( 212) = ( 0.3116513 0.6186991 0.3960288), wk = 0.0027778 k( 213) = ( 0.3053730 0.6303116 0.4092298), wk = 0.0027778 k( 214) = ( 0.2990947 0.6419240 0.4224307), wk = 0.0027778 k( 215) = ( 0.2928165 0.6535364 0.4356317), wk = 0.0027778 k( 216) = ( 0.2865382 0.6651488 0.4488326), wk = 0.0027778 k( 217) = ( 0.2865382 0.6651488 0.4488326), wk = 0.0027778 k( 218) = ( 0.2696830 0.6611734 0.4533519), wk = 0.0027778 k( 219) = ( 0.2528278 0.6571981 0.4578711), wk = 0.0027778 k( 220) = ( 0.2359726 0.6532227 0.4623903), wk = 0.0027778 k( 221) = ( 0.2191174 0.6492473 0.4669095), wk = 0.0027778 k( 222) = ( 0.2022622 0.6452719 0.4714287), wk = 0.0027778 k( 223) = ( 0.1854070 0.6412965 0.4759479), wk = 0.0027778 k( 224) = ( 0.1685519 0.6373211 0.4804671), wk = 0.0027778 k( 225) = ( 0.1516967 0.6333457 0.4849863), wk = 0.0027778 k( 226) = ( 0.1348415 0.6293703 0.4895055), wk = 0.0027778 k( 227) = ( 0.1179863 0.6253950 0.4940247), wk = 0.0027778 k( 228) = ( 0.1011311 0.6214196 0.4985439), wk = 0.0027778 k( 229) = ( 0.0842759 0.6174442 0.5030631), wk = 0.0027778 k( 230) = ( 0.0674207 0.6134688 0.5075823), wk = 0.0027778 k( 231) = ( 0.0505656 0.6094934 0.5121015), wk = 0.0027778 k( 232) = ( 0.0337104 0.6055180 0.5166207), wk = 0.0027778 k( 233) = ( 0.0168552 0.6015426 0.5211399), wk = 0.0027778 k( 234) = ( 0.0000000 0.5975672 0.5256591), wk = 0.0027778 k( 235) = ( 0.0000000 0.5975672 0.5256591), wk = 0.0027778 k( 236) = ( 0.0062500 0.5860071 0.5388006), wk = 0.0027778 k( 237) = ( 0.0125000 0.5744470 0.5519421), wk = 0.0027778 k( 238) = ( 0.0187500 0.5628869 0.5650836), wk = 0.0027778 k( 239) = ( 0.0250000 0.5513268 0.5782250), wk = 0.0027778 k( 240) = ( 0.0312500 0.5397667 0.5913665), wk = 0.0027778 k( 241) = ( 0.0375000 0.5282066 0.6045080), wk = 0.0027778 k( 242) = ( 0.0437500 0.5166465 0.6176495), wk = 0.0027778 k( 243) = ( 0.0500000 0.5050864 0.6307910), wk = 0.0027778 k( 244) = ( 0.0562500 0.4935263 0.6439324), wk = 0.0027778 k( 245) = ( 0.0625000 0.4819662 0.6570739), wk = 0.0027778 k( 246) = ( 0.0687500 0.4704061 0.6702154), wk = 0.0027778 k( 247) = ( 0.0750000 0.4588460 0.6833569), wk = 0.0027778 k( 248) = ( 0.0812500 0.4472859 0.6964983), wk = 0.0027778 k( 249) = ( 0.0875000 0.4357258 0.7096398), wk = 0.0027778 k( 250) = ( 0.0937500 0.4241657 0.7227813), wk = 0.0027778 k( 251) = ( 0.1000000 0.4126056 0.7359228), wk = 0.0027778 k( 252) = ( 0.1062500 0.4010455 0.7490643), wk = 0.0027778 k( 253) = ( 0.1125000 0.3894854 0.7622057), wk = 0.0027778 k( 254) = ( 0.1187500 0.3779253 0.7753472), wk = 0.0027778 k( 255) = ( 0.1250000 0.3663652 0.7884887), wk = 0.0027778 k( 256) = ( 0.1312500 0.3548051 0.8016302), wk = 0.0027778 k( 257) = ( 0.1375000 0.3432450 0.8147716), wk = 0.0027778 k( 258) = ( 0.1437500 0.3316849 0.8279131), wk = 0.0027778 k( 259) = ( 0.1500000 0.3201248 0.8410546), wk = 0.0027778 k( 260) = ( 0.1562500 0.3085647 0.8541961), wk = 0.0027778 k( 261) = ( 0.1625000 0.2970046 0.8673376), wk = 0.0027778 k( 262) = ( 0.1687500 0.2854445 0.8804790), wk = 0.0027778 k( 263) = ( 0.1750000 0.2738844 0.8936205), wk = 0.0027778 k( 264) = ( 0.1812500 0.2623243 0.9067620), wk = 0.0027778 k( 265) = ( 0.1875000 0.2507642 0.9199035), wk = 0.0027778 k( 266) = ( 0.1937500 0.2392041 0.9330450), wk = 0.0027778 k( 267) = ( 0.2000000 0.2276440 0.9461864), wk = 0.0027778 k( 268) = ( 0.2062500 0.2160839 0.9593279), wk = 0.0027778 k( 269) = ( 0.2125000 0.2045238 0.9724694), wk = 0.0027778 k( 270) = ( 0.2187500 0.1929637 0.9856109), wk = 0.0027778 k( 271) = ( 0.2250000 0.1814036 0.9987523), wk = 0.0027778 k( 272) = ( 0.2312500 0.1698435 1.0118938), wk = 0.0027778 k( 273) = ( 0.2375000 0.1582834 1.0250353), wk = 0.0027778 k( 274) = ( 0.2437500 0.1467233 1.0381768), wk = 0.0027778 k( 275) = ( 0.2500000 0.1351632 1.0513183), wk = 0.0027778 k( 276) = ( 0.2500000 0.1351632 1.0513183), wk = 0.0027778 k( 277) = ( 0.2638889 0.1426722 1.0427820), wk = 0.0027778 k( 278) = ( 0.2777778 0.1501813 1.0342457), wk = 0.0027778 k( 279) = ( 0.2916667 0.1576904 1.0257094), wk = 0.0027778 k( 280) = ( 0.3055556 0.1651994 1.0171732), wk = 0.0027778 k( 281) = ( 0.3194444 0.1727085 1.0086369), wk = 0.0027778 k( 282) = ( 0.3333333 0.1802176 1.0001006), wk = 0.0027778 k( 283) = ( 0.3472222 0.1877266 0.9915643), wk = 0.0027778 k( 284) = ( 0.3611111 0.1952357 0.9830280), wk = 0.0027778 k( 285) = ( 0.3750000 0.2027448 0.9744918), wk = 0.0027778 k( 286) = ( 0.3888889 0.2102538 0.9659555), wk = 0.0027778 k( 287) = ( 0.4027778 0.2177629 0.9574192), wk = 0.0027778 k( 288) = ( 0.4166667 0.2252720 0.9488830), wk = 0.0027778 k( 289) = ( 0.4305556 0.2327810 0.9403467), wk = 0.0027778 k( 290) = ( 0.4444444 0.2402901 0.9318104), wk = 0.0027778 k( 291) = ( 0.4583333 0.2477991 0.9232741), wk = 0.0027778 k( 292) = ( 0.4722222 0.2553082 0.9147378), wk = 0.0027778 k( 293) = ( 0.4861111 0.2628173 0.9062016), wk = 0.0027778 k( 294) = ( 0.5000000 0.2703263 0.8976653), wk = 0.0027778 k( 295) = ( 0.5000000 0.2703263 0.8976653), wk = 0.0027778 k( 296) = ( 0.5000000 0.2703263 0.8789639), wk = 0.0027778 k( 297) = ( 0.5000000 0.2703263 0.8602626), wk = 0.0027778 k( 298) = ( 0.5000000 0.2703263 0.8415612), wk = 0.0027778 k( 299) = ( 0.5000000 0.2703263 0.8228599), wk = 0.0027778 k( 300) = ( 0.5000000 0.2703263 0.8041585), wk = 0.0027778 k( 301) = ( 0.5000000 0.2703263 0.7854571), wk = 0.0027778 k( 302) = ( 0.5000000 0.2703263 0.7667558), wk = 0.0027778 k( 303) = ( 0.5000000 0.2703263 0.7480544), wk = 0.0027778 k( 304) = ( 0.5000000 0.2703263 0.7293530), wk = 0.0027778 k( 305) = ( 0.5000000 0.2703263 0.7106517), wk = 0.0027778 k( 306) = ( 0.5000000 0.2703263 0.6919503), wk = 0.0027778 k( 307) = ( 0.5000000 0.2703263 0.6732490), wk = 0.0027778 k( 308) = ( 0.5000000 0.2703263 0.6545476), wk = 0.0027778 k( 309) = ( 0.5000000 0.2703263 0.6358462), wk = 0.0027778 k( 310) = ( 0.5000000 0.2703263 0.6171449), wk = 0.0027778 k( 311) = ( 0.5000000 0.2703263 0.5984435), wk = 0.0027778 k( 312) = ( 0.5000000 0.2703263 0.5797422), wk = 0.0027778 k( 313) = ( 0.5000000 0.2703263 0.5610408), wk = 0.0027778 k( 314) = ( 0.5000000 0.2703263 0.5423394), wk = 0.0027778 k( 315) = ( 0.5000000 0.2703263 0.5236381), wk = 0.0027778 k( 316) = ( 0.5000000 0.2703263 0.5049367), wk = 0.0027778 k( 317) = ( 0.5000000 0.2703263 0.4862354), wk = 0.0027778 k( 318) = ( 0.5000000 0.2703263 0.4675340), wk = 0.0027778 k( 319) = ( 0.5000000 0.2703263 0.4488326), wk = 0.0027778 k( 320) = ( 0.5000000 0.2703263 0.4301313), wk = 0.0027778 k( 321) = ( 0.5000000 0.2703263 0.4114299), wk = 0.0027778 k( 322) = ( 0.5000000 0.2703263 0.3927286), wk = 0.0027778 k( 323) = ( 0.5000000 0.2703263 0.3740272), wk = 0.0027778 k( 324) = ( 0.5000000 0.2703263 0.3553258), wk = 0.0027778 k( 325) = ( 0.5000000 0.2703263 0.3366245), wk = 0.0027778 k( 326) = ( 0.5000000 0.2703263 0.3179231), wk = 0.0027778 k( 327) = ( 0.5000000 0.2703263 0.2992218), wk = 0.0027778 k( 328) = ( 0.5000000 0.2703263 0.2805204), wk = 0.0027778 k( 329) = ( 0.5000000 0.2703263 0.2618190), wk = 0.0027778 k( 330) = ( 0.5000000 0.2703263 0.2431177), wk = 0.0027778 k( 331) = ( 0.5000000 0.2703263 0.2244163), wk = 0.0027778 k( 332) = ( 0.5000000 0.2703263 0.2057150), wk = 0.0027778 k( 333) = ( 0.5000000 0.2703263 0.1870136), wk = 0.0027778 k( 334) = ( 0.5000000 0.2703263 0.1683122), wk = 0.0027778 k( 335) = ( 0.5000000 0.2703263 0.1496109), wk = 0.0027778 k( 336) = ( 0.5000000 0.2703263 0.1309095), wk = 0.0027778 k( 337) = ( 0.5000000 0.2703263 0.1122082), wk = 0.0027778 k( 338) = ( 0.5000000 0.2703263 0.0935068), wk = 0.0027778 k( 339) = ( 0.5000000 0.2703263 0.0748054), wk = 0.0027778 k( 340) = ( 0.5000000 0.2703263 0.0561041), wk = 0.0027778 k( 341) = ( 0.5000000 0.2703263 0.0374027), wk = 0.0027778 k( 342) = ( 0.5000000 0.2703263 0.0187014), wk = 0.0027778 k( 343) = ( 0.5000000 0.2703263 0.0000000), wk = 0.0027778 k( 344) = ( 0.0000000 0.0000000 1.0513183), wk = 0.0027778 k( 345) = ( 0.0156250 0.0084477 1.0513183), wk = 0.0027778 k( 346) = ( 0.0312500 0.0168954 1.0513183), wk = 0.0027778 k( 347) = ( 0.0468750 0.0253431 1.0513183), wk = 0.0027778 k( 348) = ( 0.0625000 0.0337908 1.0513183), wk = 0.0027778 k( 349) = ( 0.0781250 0.0422385 1.0513183), wk = 0.0027778 k( 350) = ( 0.0937500 0.0506862 1.0513183), wk = 0.0027778 k( 351) = ( 0.1093750 0.0591339 1.0513183), wk = 0.0027778 k( 352) = ( 0.1250000 0.0675816 1.0513183), wk = 0.0027778 k( 353) = ( 0.1406250 0.0760293 1.0513183), wk = 0.0027778 k( 354) = ( 0.1562500 0.0844770 1.0513183), wk = 0.0027778 k( 355) = ( 0.1718750 0.0929247 1.0513183), wk = 0.0027778 k( 356) = ( 0.1875000 0.1013724 1.0513183), wk = 0.0027778 k( 357) = ( 0.2031250 0.1098201 1.0513183), wk = 0.0027778 k( 358) = ( 0.2187500 0.1182678 1.0513183), wk = 0.0027778 k( 359) = ( 0.2343750 0.1267155 1.0513183), wk = 0.0027778 k( 360) = ( 0.2500000 0.1351632 1.0513183), wk = 0.0027778 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 2) = ( 0.0000000 0.0000000 0.0089286), wk = 0.0027778 k( 3) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0027778 k( 4) = ( 0.0000000 0.0000000 0.0267857), wk = 0.0027778 k( 5) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0027778 k( 6) = ( 0.0000000 0.0000000 0.0446429), wk = 0.0027778 k( 7) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0027778 k( 8) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0027778 k( 9) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0027778 k( 10) = ( 0.0000000 0.0000000 0.0803571), wk = 0.0027778 k( 11) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0027778 k( 12) = ( 0.0000000 0.0000000 0.0982143), wk = 0.0027778 k( 13) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0027778 k( 14) = ( 0.0000000 0.0000000 0.1160714), wk = 0.0027778 k( 15) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0027778 k( 16) = ( 0.0000000 0.0000000 0.1339286), wk = 0.0027778 k( 17) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0027778 k( 18) = ( 0.0000000 0.0000000 0.1517857), wk = 0.0027778 k( 19) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0027778 k( 20) = ( 0.0000000 0.0000000 0.1696429), wk = 0.0027778 k( 21) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0027778 k( 22) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0027778 k( 23) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0027778 k( 24) = ( 0.0000000 0.0000000 0.2053571), wk = 0.0027778 k( 25) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0027778 k( 26) = ( 0.0000000 0.0000000 0.2232143), wk = 0.0027778 k( 27) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0027778 k( 28) = ( 0.0000000 0.0000000 0.2410714), wk = 0.0027778 k( 29) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027778 k( 30) = ( 0.0000000 0.0000000 0.2589286), wk = 0.0027778 k( 31) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0027778 k( 32) = ( 0.0000000 0.0000000 0.2767857), wk = 0.0027778 k( 33) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0027778 k( 34) = ( 0.0000000 0.0000000 0.2946429), wk = 0.0027778 k( 35) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0027778 k( 36) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0027778 k( 37) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0027778 k( 38) = ( 0.0000000 0.0000000 0.3303571), wk = 0.0027778 k( 39) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0027778 k( 40) = ( 0.0000000 0.0000000 0.3482143), wk = 0.0027778 k( 41) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0027778 k( 42) = ( 0.0000000 0.0000000 0.3660714), wk = 0.0027778 k( 43) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0027778 k( 44) = ( 0.0000000 0.0000000 0.3839286), wk = 0.0027778 k( 45) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0027778 k( 46) = ( 0.0000000 0.0000000 0.4017857), wk = 0.0027778 k( 47) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0027778 k( 48) = ( 0.0000000 0.0000000 0.4196429), wk = 0.0027778 k( 49) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0027778 k( 50) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0027778 k( 51) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0027778 k( 52) = ( 0.0000000 0.0000000 0.4553571), wk = 0.0027778 k( 53) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0027778 k( 54) = ( 0.0000000 0.0000000 0.4732143), wk = 0.0027778 k( 55) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0027778 k( 56) = ( 0.0000000 0.0000000 0.4910714), wk = 0.0027778 k( 57) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027778 k( 58) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027778 k( 59) = ( -0.0081196 0.0081196 0.5000000), wk = 0.0027778 k( 60) = ( -0.0162392 0.0162392 0.5000000), wk = 0.0027778 k( 61) = ( -0.0243588 0.0243588 0.5000000), wk = 0.0027778 k( 62) = ( -0.0324784 0.0324784 0.5000000), wk = 0.0027778 k( 63) = ( -0.0405980 0.0405980 0.5000000), wk = 0.0027778 k( 64) = ( -0.0487175 0.0487175 0.5000000), wk = 0.0027778 k( 65) = ( -0.0568372 0.0568371 0.5000000), wk = 0.0027778 k( 66) = ( -0.0649567 0.0649567 0.5000000), wk = 0.0027778 k( 67) = ( -0.0730763 0.0730763 0.5000000), wk = 0.0027778 k( 68) = ( -0.0730763 0.0730763 0.5000000), wk = 0.0027778 k( 69) = ( -0.0793546 0.0793546 0.4937217), wk = 0.0027778 k( 70) = ( -0.0856329 0.0856329 0.4874434), wk = 0.0027778 k( 71) = ( -0.0919112 0.0919112 0.4811651), wk = 0.0027778 k( 72) = ( -0.0981895 0.0981895 0.4748868), wk = 0.0027778 k( 73) = ( -0.1044678 0.1044678 0.4686086), wk = 0.0027778 k( 74) = ( -0.1107461 0.1107461 0.4623303), wk = 0.0027778 k( 75) = ( -0.1170244 0.1170244 0.4560520), wk = 0.0027778 k( 76) = ( -0.1233026 0.1233026 0.4497737), wk = 0.0027778 k( 77) = ( -0.1295809 0.1295809 0.4434954), wk = 0.0027778 k( 78) = ( -0.1358592 0.1358592 0.4372171), wk = 0.0027778 k( 79) = ( -0.1421375 0.1421375 0.4309388), wk = 0.0027778 k( 80) = ( -0.1484158 0.1484158 0.4246605), wk = 0.0027778 k( 81) = ( -0.1546941 0.1546941 0.4183822), wk = 0.0027778 k( 82) = ( -0.1609724 0.1609724 0.4121040), wk = 0.0027778 k( 83) = ( -0.1672507 0.1672507 0.4058257), wk = 0.0027778 k( 84) = ( -0.1735290 0.1735290 0.3995474), wk = 0.0027778 k( 85) = ( -0.1798073 0.1798073 0.3932691), wk = 0.0027778 k( 86) = ( -0.1860855 0.1860855 0.3869908), wk = 0.0027778 k( 87) = ( -0.1923638 0.1923638 0.3807125), wk = 0.0027778 k( 88) = ( -0.1986421 0.1986421 0.3744342), wk = 0.0027778 k( 89) = ( -0.2049204 0.2049204 0.3681559), wk = 0.0027778 k( 90) = ( -0.2111987 0.2111987 0.3618776), wk = 0.0027778 k( 91) = ( -0.2174770 0.2174770 0.3555994), wk = 0.0027778 k( 92) = ( -0.2237553 0.2237553 0.3493211), wk = 0.0027778 k( 93) = ( -0.2300336 0.2300336 0.3430428), wk = 0.0027778 k( 94) = ( -0.2363118 0.2363118 0.3367645), wk = 0.0027778 k( 95) = ( -0.2425901 0.2425901 0.3304862), wk = 0.0027778 k( 96) = ( -0.2488684 0.2488684 0.3242079), wk = 0.0027778 k( 97) = ( -0.2551467 0.2551467 0.3179296), wk = 0.0027778 k( 98) = ( -0.2614250 0.2614250 0.3116513), wk = 0.0027778 k( 99) = ( -0.2677033 0.2677033 0.3053730), wk = 0.0027778 k( 100) = ( -0.2739816 0.2739816 0.2990947), wk = 0.0027778 k( 101) = ( -0.2802599 0.2802599 0.2928165), wk = 0.0027778 k( 102) = ( -0.2865382 0.2865382 0.2865382), wk = 0.0027778 k( 103) = ( -0.2865382 0.2865382 0.2865382), wk = 0.0027778 k( 104) = ( -0.2803091 0.2803091 0.2803091), wk = 0.0027778 k( 105) = ( -0.2740800 0.2740800 0.2740800), wk = 0.0027778 k( 106) = ( -0.2678509 0.2678509 0.2678509), wk = 0.0027778 k( 107) = ( -0.2616218 0.2616218 0.2616218), wk = 0.0027778 k( 108) = ( -0.2553927 0.2553927 0.2553927), wk = 0.0027778 k( 109) = ( -0.2491636 0.2491636 0.2491636), wk = 0.0027778 k( 110) = ( -0.2429345 0.2429345 0.2429345), wk = 0.0027778 k( 111) = ( -0.2367054 0.2367054 0.2367054), wk = 0.0027778 k( 112) = ( -0.2304763 0.2304763 0.2304764), wk = 0.0027778 k( 113) = ( -0.2242473 0.2242473 0.2242473), wk = 0.0027778 k( 114) = ( -0.2180182 0.2180182 0.2180182), wk = 0.0027778 k( 115) = ( -0.2117891 0.2117891 0.2117891), wk = 0.0027778 k( 116) = ( -0.2055600 0.2055600 0.2055600), wk = 0.0027778 k( 117) = ( -0.1993309 0.1993309 0.1993309), wk = 0.0027778 k( 118) = ( -0.1931018 0.1931018 0.1931018), wk = 0.0027778 k( 119) = ( -0.1868727 0.1868727 0.1868727), wk = 0.0027778 k( 120) = ( -0.1806436 0.1806436 0.1806436), wk = 0.0027778 k( 121) = ( -0.1744145 0.1744145 0.1744145), wk = 0.0027778 k( 122) = ( -0.1681854 0.1681854 0.1681855), wk = 0.0027778 k( 123) = ( -0.1619563 0.1619563 0.1619563), wk = 0.0027778 k( 124) = ( -0.1557273 0.1557273 0.1557273), wk = 0.0027778 k( 125) = ( -0.1494982 0.1494982 0.1494982), wk = 0.0027778 k( 126) = ( -0.1432691 0.1432691 0.1432691), wk = 0.0027778 k( 127) = ( -0.1370400 0.1370400 0.1370400), wk = 0.0027778 k( 128) = ( -0.1308109 0.1308109 0.1308109), wk = 0.0027778 k( 129) = ( -0.1245818 0.1245818 0.1245818), wk = 0.0027778 k( 130) = ( -0.1183527 0.1183527 0.1183527), wk = 0.0027778 k( 131) = ( -0.1121236 0.1121236 0.1121236), wk = 0.0027778 k( 132) = ( -0.1058945 0.1058945 0.1058945), wk = 0.0027778 k( 133) = ( -0.0996655 0.0996654 0.0996655), wk = 0.0027778 k( 134) = ( -0.0934364 0.0934364 0.0934364), wk = 0.0027778 k( 135) = ( -0.0872073 0.0872073 0.0872073), wk = 0.0027778 k( 136) = ( -0.0809782 0.0809782 0.0809782), wk = 0.0027778 k( 137) = ( -0.0747491 0.0747491 0.0747491), wk = 0.0027778 k( 138) = ( -0.0685200 0.0685200 0.0685200), wk = 0.0027778 k( 139) = ( -0.0622909 0.0622909 0.0622909), wk = 0.0027778 k( 140) = ( -0.0560618 0.0560618 0.0560618), wk = 0.0027778 k( 141) = ( -0.0498327 0.0498327 0.0498327), wk = 0.0027778 k( 142) = ( -0.0436036 0.0436036 0.0436036), wk = 0.0027778 k( 143) = ( -0.0373745 0.0373745 0.0373745), wk = 0.0027778 k( 144) = ( -0.0311455 0.0311454 0.0311455), wk = 0.0027778 k( 145) = ( -0.0249164 0.0249164 0.0249164), wk = 0.0027778 k( 146) = ( -0.0186873 0.0186873 0.0186873), wk = 0.0027778 k( 147) = ( -0.0124582 0.0124582 0.0124582), wk = 0.0027778 k( 148) = ( -0.0062291 0.0062291 0.0062291), wk = 0.0027778 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 151) = ( 0.0161290 0.0161290 -0.0161290), wk = 0.0027778 k( 152) = ( 0.0322581 0.0322581 -0.0322581), wk = 0.0027778 k( 153) = ( 0.0483871 0.0483871 -0.0483871), wk = 0.0027778 k( 154) = ( 0.0645161 0.0645161 -0.0645161), wk = 0.0027778 k( 155) = ( 0.0806452 0.0806452 -0.0806452), wk = 0.0027778 k( 156) = ( 0.0967742 0.0967742 -0.0967742), wk = 0.0027778 k( 157) = ( 0.1129032 0.1129032 -0.1129032), wk = 0.0027778 k( 158) = ( 0.1290323 0.1290323 -0.1290323), wk = 0.0027778 k( 159) = ( 0.1451613 0.1451613 -0.1451613), wk = 0.0027778 k( 160) = ( 0.1612903 0.1612903 -0.1612903), wk = 0.0027778 k( 161) = ( 0.1774194 0.1774194 -0.1774194), wk = 0.0027778 k( 162) = ( 0.1935484 0.1935484 -0.1935484), wk = 0.0027778 k( 163) = ( 0.2096774 0.2096774 -0.2096774), wk = 0.0027778 k( 164) = ( 0.2258064 0.2258064 -0.2258064), wk = 0.0027778 k( 165) = ( 0.2419355 0.2419355 -0.2419355), wk = 0.0027778 k( 166) = ( 0.2580645 0.2580645 -0.2580645), wk = 0.0027778 k( 167) = ( 0.2741936 0.2741936 -0.2741936), wk = 0.0027778 k( 168) = ( 0.2903226 0.2903226 -0.2903226), wk = 0.0027778 k( 169) = ( 0.3064516 0.3064516 -0.3064516), wk = 0.0027778 k( 170) = ( 0.3225807 0.3225807 -0.3225806), wk = 0.0027778 k( 171) = ( 0.3387097 0.3387097 -0.3387097), wk = 0.0027778 k( 172) = ( 0.3548387 0.3548387 -0.3548387), wk = 0.0027778 k( 173) = ( 0.3709677 0.3709677 -0.3709677), wk = 0.0027778 k( 174) = ( 0.3870968 0.3870968 -0.3870968), wk = 0.0027778 k( 175) = ( 0.4032258 0.4032258 -0.4032258), wk = 0.0027778 k( 176) = ( 0.4193548 0.4193548 -0.4193548), wk = 0.0027778 k( 177) = ( 0.4354839 0.4354839 -0.4354839), wk = 0.0027778 k( 178) = ( 0.4516129 0.4516129 -0.4516129), wk = 0.0027778 k( 179) = ( 0.4677419 0.4677419 -0.4677419), wk = 0.0027778 k( 180) = ( 0.4838710 0.4838710 -0.4838710), wk = 0.0027778 k( 181) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027778 k( 182) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027778 k( 183) = ( 0.4937217 0.5062783 -0.4937217), wk = 0.0027778 k( 184) = ( 0.4874434 0.5125566 -0.4874434), wk = 0.0027778 k( 185) = ( 0.4811651 0.5188349 -0.4811651), wk = 0.0027778 k( 186) = ( 0.4748868 0.5251132 -0.4748868), wk = 0.0027778 k( 187) = ( 0.4686086 0.5313914 -0.4686085), wk = 0.0027778 k( 188) = ( 0.4623303 0.5376697 -0.4623303), wk = 0.0027778 k( 189) = ( 0.4560520 0.5439480 -0.4560520), wk = 0.0027778 k( 190) = ( 0.4497737 0.5502263 -0.4497737), wk = 0.0027778 k( 191) = ( 0.4434954 0.5565046 -0.4434954), wk = 0.0027778 k( 192) = ( 0.4372171 0.5627829 -0.4372171), wk = 0.0027778 k( 193) = ( 0.4309388 0.5690612 -0.4309388), wk = 0.0027778 k( 194) = ( 0.4246605 0.5753395 -0.4246605), wk = 0.0027778 k( 195) = ( 0.4183822 0.5816178 -0.4183822), wk = 0.0027778 k( 196) = ( 0.4121039 0.5878960 -0.4121039), wk = 0.0027778 k( 197) = ( 0.4058257 0.5941743 -0.4058257), wk = 0.0027778 k( 198) = ( 0.3995474 0.6004526 -0.3995474), wk = 0.0027778 k( 199) = ( 0.3932691 0.6067309 -0.3932691), wk = 0.0027778 k( 200) = ( 0.3869908 0.6130092 -0.3869908), wk = 0.0027778 k( 201) = ( 0.3807125 0.6192875 -0.3807125), wk = 0.0027778 k( 202) = ( 0.3744342 0.6255658 -0.3744342), wk = 0.0027778 k( 203) = ( 0.3681559 0.6318441 -0.3681559), wk = 0.0027778 k( 204) = ( 0.3618776 0.6381224 -0.3618776), wk = 0.0027778 k( 205) = ( 0.3555993 0.6444007 -0.3555993), wk = 0.0027778 k( 206) = ( 0.3493211 0.6506789 -0.3493211), wk = 0.0027778 k( 207) = ( 0.3430428 0.6569572 -0.3430428), wk = 0.0027778 k( 208) = ( 0.3367645 0.6632355 -0.3367645), wk = 0.0027778 k( 209) = ( 0.3304862 0.6695138 -0.3304862), wk = 0.0027778 k( 210) = ( 0.3242079 0.6757921 -0.3242079), wk = 0.0027778 k( 211) = ( 0.3179296 0.6820704 -0.3179296), wk = 0.0027778 k( 212) = ( 0.3116513 0.6883487 -0.3116513), wk = 0.0027778 k( 213) = ( 0.3053730 0.6946270 -0.3053730), wk = 0.0027778 k( 214) = ( 0.2990947 0.7009053 -0.2990947), wk = 0.0027778 k( 215) = ( 0.2928165 0.7071835 -0.2928165), wk = 0.0027778 k( 216) = ( 0.2865382 0.7134618 -0.2865382), wk = 0.0027778 k( 217) = ( 0.2865382 0.7134618 -0.2865382), wk = 0.0027778 k( 218) = ( 0.2696830 0.7009053 -0.2696830), wk = 0.0027778 k( 219) = ( 0.2528278 0.6883487 -0.2528278), wk = 0.0027778 k( 220) = ( 0.2359726 0.6757921 -0.2359726), wk = 0.0027778 k( 221) = ( 0.2191174 0.6632355 -0.2191174), wk = 0.0027778 k( 222) = ( 0.2022622 0.6506789 -0.2022622), wk = 0.0027778 k( 223) = ( 0.1854070 0.6381224 -0.1854070), wk = 0.0027778 k( 224) = ( 0.1685519 0.6255658 -0.1685519), wk = 0.0027778 k( 225) = ( 0.1516967 0.6130092 -0.1516967), wk = 0.0027778 k( 226) = ( 0.1348415 0.6004526 -0.1348415), wk = 0.0027778 k( 227) = ( 0.1179863 0.5878960 -0.1179863), wk = 0.0027778 k( 228) = ( 0.1011311 0.5753395 -0.1011311), wk = 0.0027778 k( 229) = ( 0.0842759 0.5627829 -0.0842759), wk = 0.0027778 k( 230) = ( 0.0674207 0.5502263 -0.0674207), wk = 0.0027778 k( 231) = ( 0.0505656 0.5376697 -0.0505656), wk = 0.0027778 k( 232) = ( 0.0337104 0.5251132 -0.0337104), wk = 0.0027778 k( 233) = ( 0.0168552 0.5125566 -0.0168552), wk = 0.0027778 k( 234) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027778 k( 235) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027778 k( 236) = ( 0.0062500 0.4937500 0.0062500), wk = 0.0027778 k( 237) = ( 0.0125000 0.4875000 0.0125000), wk = 0.0027778 k( 238) = ( 0.0187500 0.4812500 0.0187500), wk = 0.0027778 k( 239) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0027778 k( 240) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0027778 k( 241) = ( 0.0375000 0.4625000 0.0375000), wk = 0.0027778 k( 242) = ( 0.0437500 0.4562500 0.0437500), wk = 0.0027778 k( 243) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0027778 k( 244) = ( 0.0562500 0.4437500 0.0562500), wk = 0.0027778 k( 245) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0027778 k( 246) = ( 0.0687500 0.4312500 0.0687500), wk = 0.0027778 k( 247) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0027778 k( 248) = ( 0.0812500 0.4187500 0.0812500), wk = 0.0027778 k( 249) = ( 0.0875000 0.4125000 0.0875000), wk = 0.0027778 k( 250) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0027778 k( 251) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0027778 k( 252) = ( 0.1062500 0.3937500 0.1062500), wk = 0.0027778 k( 253) = ( 0.1125000 0.3875000 0.1125000), wk = 0.0027778 k( 254) = ( 0.1187500 0.3812500 0.1187500), wk = 0.0027778 k( 255) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0027778 k( 256) = ( 0.1312500 0.3687500 0.1312500), wk = 0.0027778 k( 257) = ( 0.1375000 0.3625000 0.1375000), wk = 0.0027778 k( 258) = ( 0.1437500 0.3562500 0.1437500), wk = 0.0027778 k( 259) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0027778 k( 260) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0027778 k( 261) = ( 0.1625000 0.3375000 0.1625000), wk = 0.0027778 k( 262) = ( 0.1687500 0.3312500 0.1687500), wk = 0.0027778 k( 263) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0027778 k( 264) = ( 0.1812500 0.3187500 0.1812500), wk = 0.0027778 k( 265) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0027778 k( 266) = ( 0.1937500 0.3062500 0.1937500), wk = 0.0027778 k( 267) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0027778 k( 268) = ( 0.2062500 0.2937500 0.2062500), wk = 0.0027778 k( 269) = ( 0.2125000 0.2875000 0.2125000), wk = 0.0027778 k( 270) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0027778 k( 271) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0027778 k( 272) = ( 0.2312500 0.2687500 0.2312500), wk = 0.0027778 k( 273) = ( 0.2375000 0.2625000 0.2375000), wk = 0.0027778 k( 274) = ( 0.2437500 0.2562500 0.2437500), wk = 0.0027778 k( 275) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027778 k( 276) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027778 k( 277) = ( 0.2638889 0.2638889 0.2320513), wk = 0.0027778 k( 278) = ( 0.2777778 0.2777778 0.2141026), wk = 0.0027778 k( 279) = ( 0.2916667 0.2916667 0.1961539), wk = 0.0027778 k( 280) = ( 0.3055556 0.3055556 0.1782053), wk = 0.0027778 k( 281) = ( 0.3194444 0.3194444 0.1602566), wk = 0.0027778 k( 282) = ( 0.3333333 0.3333333 0.1423079), wk = 0.0027778 k( 283) = ( 0.3472222 0.3472222 0.1243592), wk = 0.0027778 k( 284) = ( 0.3611111 0.3611111 0.1064105), wk = 0.0027778 k( 285) = ( 0.3750000 0.3750000 0.0884618), wk = 0.0027778 k( 286) = ( 0.3888889 0.3888889 0.0705132), wk = 0.0027778 k( 287) = ( 0.4027778 0.4027778 0.0525645), wk = 0.0027778 k( 288) = ( 0.4166667 0.4166667 0.0346158), wk = 0.0027778 k( 289) = ( 0.4305556 0.4305556 0.0166671), wk = 0.0027778 k( 290) = ( 0.4444444 0.4444444 -0.0012816), wk = 0.0027778 k( 291) = ( 0.4583333 0.4583333 -0.0192303), wk = 0.0027778 k( 292) = ( 0.4722222 0.4722222 -0.0371790), wk = 0.0027778 k( 293) = ( 0.4861111 0.4861111 -0.0551277), wk = 0.0027778 k( 294) = ( 0.5000000 0.5000000 -0.0730763), wk = 0.0027778 k( 295) = ( 0.5000000 0.5000000 -0.0730763), wk = 0.0027778 k( 296) = ( 0.5000000 0.5000000 -0.0819706), wk = 0.0027778 k( 297) = ( 0.5000000 0.5000000 -0.0908648), wk = 0.0027778 k( 298) = ( 0.5000000 0.5000000 -0.0997591), wk = 0.0027778 k( 299) = ( 0.5000000 0.5000000 -0.1086533), wk = 0.0027778 k( 300) = ( 0.5000000 0.5000000 -0.1175475), wk = 0.0027778 k( 301) = ( 0.5000000 0.5000000 -0.1264418), wk = 0.0027778 k( 302) = ( 0.5000000 0.5000000 -0.1353360), wk = 0.0027778 k( 303) = ( 0.5000000 0.5000000 -0.1442303), wk = 0.0027778 k( 304) = ( 0.5000000 0.5000000 -0.1531245), wk = 0.0027778 k( 305) = ( 0.5000000 0.5000000 -0.1620188), wk = 0.0027778 k( 306) = ( 0.5000000 0.5000000 -0.1709130), wk = 0.0027778 k( 307) = ( 0.5000000 0.5000000 -0.1798072), wk = 0.0027778 k( 308) = ( 0.5000000 0.5000000 -0.1887015), wk = 0.0027778 k( 309) = ( 0.5000000 0.5000000 -0.1975957), wk = 0.0027778 k( 310) = ( 0.5000000 0.5000000 -0.2064900), wk = 0.0027778 k( 311) = ( 0.5000000 0.5000000 -0.2153842), wk = 0.0027778 k( 312) = ( 0.5000000 0.5000000 -0.2242785), wk = 0.0027778 k( 313) = ( 0.5000000 0.5000000 -0.2331727), wk = 0.0027778 k( 314) = ( 0.5000000 0.5000000 -0.2420669), wk = 0.0027778 k( 315) = ( 0.5000000 0.5000000 -0.2509612), wk = 0.0027778 k( 316) = ( 0.5000000 0.5000000 -0.2598554), wk = 0.0027778 k( 317) = ( 0.5000000 0.5000000 -0.2687497), wk = 0.0027778 k( 318) = ( 0.5000000 0.5000000 -0.2776439), wk = 0.0027778 k( 319) = ( 0.5000000 0.5000000 -0.2865382), wk = 0.0027778 k( 320) = ( 0.5000000 0.5000000 -0.2954324), wk = 0.0027778 k( 321) = ( 0.5000000 0.5000000 -0.3043266), wk = 0.0027778 k( 322) = ( 0.5000000 0.5000000 -0.3132209), wk = 0.0027778 k( 323) = ( 0.5000000 0.5000000 -0.3221151), wk = 0.0027778 k( 324) = ( 0.5000000 0.5000000 -0.3310094), wk = 0.0027778 k( 325) = ( 0.5000000 0.5000000 -0.3399036), wk = 0.0027778 k( 326) = ( 0.5000000 0.5000000 -0.3487979), wk = 0.0027778 k( 327) = ( 0.5000000 0.5000000 -0.3576921), wk = 0.0027778 k( 328) = ( 0.5000000 0.5000000 -0.3665863), wk = 0.0027778 k( 329) = ( 0.5000000 0.5000000 -0.3754806), wk = 0.0027778 k( 330) = ( 0.5000000 0.5000000 -0.3843748), wk = 0.0027778 k( 331) = ( 0.5000000 0.5000000 -0.3932691), wk = 0.0027778 k( 332) = ( 0.5000000 0.5000000 -0.4021633), wk = 0.0027778 k( 333) = ( 0.5000000 0.5000000 -0.4110576), wk = 0.0027778 k( 334) = ( 0.5000000 0.5000000 -0.4199518), wk = 0.0027778 k( 335) = ( 0.5000000 0.5000000 -0.4288461), wk = 0.0027778 k( 336) = ( 0.5000000 0.5000000 -0.4377403), wk = 0.0027778 k( 337) = ( 0.5000000 0.5000000 -0.4466345), wk = 0.0027778 k( 338) = ( 0.5000000 0.5000000 -0.4555288), wk = 0.0027778 k( 339) = ( 0.5000000 0.5000000 -0.4644230), wk = 0.0027778 k( 340) = ( 0.5000000 0.5000000 -0.4733173), wk = 0.0027778 k( 341) = ( 0.5000000 0.5000000 -0.4822115), wk = 0.0027778 k( 342) = ( 0.5000000 0.5000000 -0.4911058), wk = 0.0027778 k( 343) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027778 k( 344) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027778 k( 345) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0027778 k( 346) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0027778 k( 347) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0027778 k( 348) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0027778 k( 349) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0027778 k( 350) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0027778 k( 351) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0027778 k( 352) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0027778 k( 353) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0027778 k( 354) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0027778 k( 355) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0027778 k( 356) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0027778 k( 357) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0027778 k( 358) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0027778 k( 359) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0027778 k( 360) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027778 Dense grid: 53539 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.36 Mb ( 382, 62) NL pseudopotentials 0.50 Mb ( 191, 170) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1488) G-vector shells 0.01 Mb ( 697) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.45 Mb ( 382, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.32 Mb ( 170, 2, 62) The potential is recalculated from file : ./SrxCoSix2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 5.0 secs Computing kpt #: 3 total cpu time spent up to now is 5.9 secs Computing kpt #: 4 total cpu time spent up to now is 6.8 secs Computing kpt #: 5 total cpu time spent up to now is 7.7 secs Computing kpt #: 6 total cpu time spent up to now is 8.5 secs Computing kpt #: 7 total cpu time spent up to now is 9.5 secs Computing kpt #: 8 total cpu time spent up to now is 10.4 secs Computing kpt #: 9 total cpu time spent up to now is 11.3 secs Computing kpt #: 10 total cpu time spent up to now is 12.2 secs Computing kpt #: 11 total cpu time spent up to now is 13.2 secs Computing kpt #: 12 total cpu time spent up to now is 14.1 secs Computing kpt #: 13 total cpu time spent up to now is 15.0 secs Computing kpt #: 14 total cpu time spent up to now is 15.8 secs Computing kpt #: 15 total cpu time spent up to now is 16.6 secs Computing kpt #: 16 total cpu time spent up to now is 17.4 secs Computing kpt #: 17 total cpu time spent up to now is 18.2 secs Computing kpt #: 18 total cpu time spent up to now is 19.0 secs Computing kpt #: 19 total cpu time spent up to now is 19.8 secs Computing kpt #: 20 total cpu time spent up to now is 20.6 secs Computing kpt #: 21 total cpu time spent up to now is 21.4 secs Computing kpt #: 22 total cpu time spent up to now is 22.3 secs Computing kpt #: 23 total cpu time spent up to now is 23.1 secs Computing kpt #: 24 total cpu time spent up to now is 23.9 secs Computing kpt #: 25 total cpu time spent up to now is 24.8 secs Computing kpt #: 26 total cpu time spent up to now is 25.6 secs Computing kpt #: 27 total cpu time spent up to now is 26.5 secs Computing kpt #: 28 total cpu time spent up to now is 27.4 secs Computing kpt #: 29 total cpu time spent up to now is 28.3 secs Computing kpt #: 30 total cpu time spent up to now is 29.1 secs Computing kpt #: 31 total cpu time spent up to now is 30.0 secs Computing kpt #: 32 total cpu time spent up to now is 30.8 secs Computing kpt #: 33 total cpu time spent up to now is 31.6 secs Computing kpt #: 34 total cpu time spent up to now is 32.5 secs Computing kpt #: 35 total cpu time spent up to now is 33.3 secs Computing kpt #: 36 total cpu time spent up to now is 34.1 secs Computing kpt #: 37 total cpu time spent up to now is 34.9 secs Computing kpt #: 38 total cpu time spent up to now is 35.7 secs Computing kpt #: 39 total cpu time spent up to now is 36.5 secs Computing kpt #: 40 total cpu time spent up to now is 37.3 secs Computing kpt #: 41 total cpu time spent up to now is 38.1 secs Computing kpt #: 42 total cpu time spent up to now is 38.9 secs Computing kpt #: 43 total cpu time spent up to now is 39.8 secs Computing kpt #: 44 total cpu time spent up to now is 40.6 secs Computing kpt #: 45 total cpu time spent up to now is 41.4 secs Computing kpt #: 46 total cpu time spent up to now is 42.2 secs Computing kpt #: 47 total cpu time spent up to now is 43.0 secs Computing kpt #: 48 total cpu time spent up to now is 43.8 secs Computing kpt #: 49 total cpu time spent up to now is 44.6 secs Computing kpt #: 50 total cpu time spent up to now is 45.4 secs Computing kpt #: 51 total cpu time spent up to now is 46.2 secs Computing kpt #: 52 total cpu time spent up to now is 47.0 secs Computing kpt #: 53 total cpu time spent up to now is 47.9 secs Computing kpt #: 54 total cpu time spent up to now is 48.7 secs Computing kpt #: 55 total cpu time spent up to now is 49.7 secs Computing kpt #: 56 total cpu time spent up to now is 50.7 secs Computing kpt #: 57 total cpu time spent up to now is 51.7 secs Computing kpt #: 58 total cpu time spent up to now is 52.7 secs Computing kpt #: 59 total cpu time spent up to now is 53.7 secs Computing kpt #: 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68.3 secs Computing kpt #: 76 total cpu time spent up to now is 69.1 secs Computing kpt #: 77 total cpu time spent up to now is 69.9 secs Computing kpt #: 78 total cpu time spent up to now is 70.8 secs Computing kpt #: 79 total cpu time spent up to now is 71.6 secs Computing kpt #: 80 total cpu time spent up to now is 72.5 secs Computing kpt #: 81 total cpu time spent up to now is 73.3 secs Computing kpt #: 82 total cpu time spent up to now is 74.2 secs Computing kpt #: 83 total cpu time spent up to now is 75.1 secs Computing kpt #: 84 total cpu time spent up to now is 75.9 secs Computing kpt #: 85 total cpu time spent up to now is 76.8 secs Computing kpt #: 86 total cpu time spent up to now is 77.7 secs Computing kpt #: 87 total cpu time spent up to now is 78.6 secs Computing kpt #: 88 total cpu time spent up to now is 79.5 secs Computing kpt #: 89 total cpu time spent up to now is 80.3 secs Computing kpt #: 90 total cpu time spent up to now is 81.2 secs Computing kpt #: 91 total cpu time spent up to now is 82.2 secs Computing kpt #: 92 total cpu time spent up to now is 83.1 secs Computing kpt #: 93 total cpu time spent up to now is 83.9 secs Computing kpt #: 94 total cpu time spent up to now is 84.8 secs Computing kpt #: 95 total cpu time spent up to now is 85.7 secs Computing kpt #: 96 total cpu time spent up to now is 86.5 secs Computing kpt #: 97 total cpu time spent up to now is 87.4 secs Computing kpt #: 98 total cpu time spent up to now is 88.2 secs Computing kpt #: 99 total cpu time spent up to now is 89.1 secs Computing kpt #: 100 total cpu time spent up to now is 89.9 secs Computing kpt #: 101 total cpu time spent up to now is 90.8 secs Computing kpt #: 102 total cpu time spent up to now is 91.6 secs Computing kpt #: 103 total cpu time spent up to now is 92.5 secs Computing kpt #: 104 total cpu time spent up to now is 93.3 secs Computing kpt #: 105 total cpu time spent up to now is 94.1 secs Computing kpt #: 106 total cpu time spent up to now is 94.9 secs Computing kpt #: 107 total cpu time spent up to now is 95.8 secs Computing kpt #: 108 total cpu time spent up to now is 96.6 secs Computing kpt #: 109 total cpu time spent up to now is 97.4 secs Computing kpt #: 110 total cpu time spent up to now is 98.3 secs Computing kpt #: 111 total cpu time spent up to now is 99.1 secs Computing kpt #: 112 total cpu time spent up to now is 99.9 secs Computing kpt #: 113 total cpu time spent up to now is 100.7 secs Computing kpt #: 114 total cpu time spent up to now is 101.6 secs Computing kpt #: 115 total cpu time spent up to now is 102.4 secs Computing kpt #: 116 total cpu time spent up to now is 103.3 secs Computing kpt #: 117 total cpu time spent up to now is 104.1 secs Computing kpt #: 118 total cpu time spent up to now is 105.0 secs Computing kpt #: 119 total cpu time spent up to now is 105.8 secs Computing kpt #: 120 total cpu time spent up to now is 106.7 secs Computing kpt #: 121 total cpu time spent up to now is 107.5 secs Computing kpt #: 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cpu time spent up to now is 120.9 secs Computing kpt #: 138 total cpu time spent up to now is 121.8 secs Computing kpt #: 139 total cpu time spent up to now is 122.7 secs Computing kpt #: 140 total cpu time spent up to now is 123.6 secs Computing kpt #: 141 total cpu time spent up to now is 124.5 secs Computing kpt #: 142 total cpu time spent up to now is 125.4 secs Computing kpt #: 143 total cpu time spent up to now is 126.3 secs Computing kpt #: 144 total cpu time spent up to now is 127.2 secs Computing kpt #: 145 total cpu time spent up to now is 128.0 secs Computing kpt #: 146 total cpu time spent up to now is 128.9 secs Computing kpt #: 147 total cpu time spent up to now is 129.8 secs Computing kpt #: 148 total cpu time spent up to now is 130.6 secs Computing kpt #: 149 total cpu time spent up to now is 131.5 secs Computing kpt #: 150 total cpu time spent up to now is 132.3 secs Computing kpt #: 151 total cpu time spent up to now is 133.1 secs Computing kpt #: 152 total cpu time spent up to now is 134.0 secs Computing kpt #: 153 total cpu time spent up to now is 134.8 secs Computing kpt #: 154 total cpu time spent up to now is 135.6 secs Computing kpt #: 155 total cpu time spent up to now is 136.5 secs Computing kpt #: 156 total cpu time spent up to now is 137.3 secs Computing kpt #: 157 total cpu time spent up to now is 138.1 secs Computing kpt #: 158 total cpu time spent up to now is 139.0 secs Computing kpt #: 159 total cpu time spent up to now is 139.8 secs Computing kpt #: 160 total cpu time spent up to now is 140.7 secs Computing kpt #: 161 total cpu time spent up to now is 141.6 secs Computing kpt #: 162 total cpu time spent up to now is 142.5 secs Computing kpt #: 163 total cpu time spent up to now is 143.3 secs Computing kpt #: 164 total cpu time spent up to now is 144.2 secs Computing kpt #: 165 total cpu time spent up to now is 145.1 secs Computing kpt #: 166 total cpu time spent up to now is 146.0 secs Computing kpt #: 167 total cpu time spent up to now is 146.9 secs Computing kpt #: 168 total cpu time spent up to now is 147.8 secs Computing kpt #: 169 total cpu time spent up to now is 148.8 secs Computing kpt #: 170 total cpu time spent up to now is 149.7 secs Computing kpt #: 171 total cpu time spent up to now is 150.6 secs Computing kpt #: 172 total cpu time spent up to now is 151.5 secs Computing kpt #: 173 total cpu time spent up to now is 152.3 secs Computing kpt #: 174 total cpu time spent up to now is 153.2 secs Computing kpt #: 175 total cpu time spent up to now is 154.0 secs Computing kpt #: 176 total cpu time spent up to now is 154.8 secs Computing kpt #: 177 total cpu time spent up to now is 155.6 secs Computing kpt #: 178 total cpu time spent up to now is 156.4 secs Computing kpt #: 179 total cpu time spent up to now is 157.2 secs Computing kpt #: 180 total cpu time spent up to now is 158.0 secs Computing kpt #: 181 total cpu time spent up to now is 158.8 secs Computing kpt #: 182 total cpu time spent up to now is 159.5 secs Computing kpt #: 183 total cpu time spent up to now is 160.3 secs Computing kpt #: 184 total cpu time spent up to now is 161.1 secs Computing kpt #: 185 total cpu time spent up to now is 161.9 secs Computing kpt #: 186 total cpu time spent up to now is 162.7 secs Computing kpt #: 187 total cpu time spent up to now is 163.5 secs Computing kpt #: 188 total cpu time spent up to now is 164.3 secs Computing kpt #: 189 total cpu time spent up to now is 165.1 secs Computing kpt #: 190 total cpu time spent up to now is 165.9 secs Computing kpt #: 191 total cpu time spent up to now is 166.7 secs Computing kpt #: 192 total cpu time spent up to now is 167.6 secs Computing kpt #: 193 total cpu time spent up to now is 168.4 secs Computing kpt #: 194 total cpu time spent up to now is 169.2 secs Computing kpt #: 195 total cpu time spent up to now is 170.0 secs Computing kpt #: 196 total cpu time spent up to now is 170.9 secs Computing kpt #: 197 total cpu time spent up to now is 171.7 secs Computing kpt #: 198 total cpu time spent up to now is 172.6 secs Computing kpt #: 199 total cpu time spent up to now is 173.5 secs Computing kpt #: 200 total cpu time spent up to now is 174.3 secs Computing kpt #: 201 total cpu time spent up to now is 175.2 secs Computing kpt #: 202 total cpu time spent up to now is 176.1 secs Computing kpt #: 203 total cpu time spent up to now is 177.0 secs Computing kpt #: 204 total cpu time spent up to now is 177.9 secs Computing kpt #: 205 total cpu time spent up to now is 178.8 secs Computing kpt #: 206 total cpu time spent up to now is 179.6 secs Computing kpt #: 207 total cpu time spent up to now is 180.4 secs Computing kpt #: 208 total cpu time spent up to now is 181.3 secs Computing kpt #: 209 total cpu time spent up to now is 182.1 secs Computing kpt #: 210 total cpu time spent up to now is 183.0 secs Computing kpt #: 211 total cpu time spent up to now is 183.8 secs Computing kpt #: 212 total cpu time spent up to now is 184.6 secs Computing kpt #: 213 total cpu time spent up to now is 185.5 secs Computing kpt #: 214 total cpu time spent up to now is 186.3 secs Computing kpt #: 215 total cpu time spent up to now is 187.2 secs Computing kpt #: 216 total cpu time spent up to now is 188.0 secs Computing kpt #: 217 total cpu time spent up to now is 188.8 secs Computing kpt #: 218 total cpu time spent up to now is 189.7 secs Computing kpt #: 219 total cpu time spent up to now is 190.5 secs Computing kpt #: 220 total cpu time spent up to now is 191.3 secs Computing kpt #: 221 total cpu time spent up to now is 192.2 secs Computing kpt #: 222 total cpu time spent up to now is 193.0 secs Computing kpt #: 223 total cpu time spent up to now is 193.9 secs Computing kpt #: 224 total cpu time spent up to now is 194.7 secs Computing kpt #: 225 total cpu time spent up to now is 195.6 secs Computing kpt #: 226 total cpu time spent up to now is 196.5 secs Computing kpt #: 227 total cpu time spent up to now is 197.4 secs Computing kpt #: 228 total cpu time spent up to now is 198.3 secs Computing kpt #: 229 total cpu time spent up to now is 199.1 secs Computing kpt #: 230 total cpu time spent up to now is 200.0 secs Computing kpt #: 231 total cpu time spent up to now is 200.9 secs Computing kpt #: 232 total cpu time spent up to now is 201.8 secs Computing kpt #: 233 total cpu time spent up to now is 202.6 secs Computing kpt #: 234 total cpu time spent up to now is 203.5 secs Computing kpt #: 235 total cpu time spent up to now is 204.3 secs Computing kpt #: 236 total cpu time spent up to now is 205.2 secs Computing kpt #: 237 total cpu time spent up to now is 206.0 secs Computing kpt #: 238 total cpu time spent up to now is 206.9 secs Computing kpt #: 239 total cpu time spent up to now is 207.8 secs Computing kpt #: 240 total cpu time spent up to now is 208.7 secs Computing kpt #: 241 total cpu time spent up to now is 209.5 secs Computing kpt #: 242 total cpu time spent up to now is 210.4 secs Computing kpt #: 243 total cpu time spent up to now is 211.2 secs Computing kpt #: 244 total cpu time spent up to now is 212.1 secs Computing kpt #: 245 total cpu time spent up to now is 212.9 secs Computing kpt #: 246 total cpu time spent up to now is 213.8 secs Computing kpt #: 247 total cpu time spent up to now is 214.7 secs Computing kpt #: 248 total cpu time spent up to now is 215.5 secs Computing kpt #: 249 total cpu time spent up to now is 216.4 secs Computing kpt #: 250 total cpu time spent up to now is 217.3 secs Computing kpt #: 251 total cpu time spent up to now is 218.2 secs Computing kpt #: 252 total cpu time spent up to now is 219.0 secs Computing kpt #: 253 total cpu time spent up to now is 219.9 secs Computing kpt #: 254 total cpu time spent up to now is 220.8 secs Computing kpt #: 255 total cpu time spent up to now is 221.7 secs Computing kpt #: 256 total cpu time spent up to now is 222.5 secs Computing kpt #: 257 total cpu time spent up to now is 223.4 secs Computing kpt #: 258 total cpu time spent up to now is 224.2 secs Computing kpt #: 259 total cpu time spent up to now is 225.0 secs Computing kpt #: 260 total cpu time spent up to now is 225.9 secs Computing kpt #: 261 total cpu time spent up to now is 226.7 secs Computing kpt #: 262 total cpu time spent up to now is 227.6 secs Computing kpt #: 263 total cpu time spent up to now is 228.4 secs Computing kpt #: 264 total cpu time spent up to now is 229.2 secs Computing kpt #: 265 total cpu time spent up to now is 230.1 secs Computing kpt #: 266 total cpu time spent up to now is 230.9 secs Computing kpt #: 267 total cpu time spent up to now is 231.8 secs Computing kpt #: 268 total cpu time spent up to now is 232.6 secs Computing kpt #: 269 total cpu time spent up to now is 233.5 secs Computing kpt #: 270 total cpu time spent up to now is 234.5 secs Computing kpt #: 271 total cpu time spent up to now is 235.5 secs Computing kpt #: 272 total cpu time spent up to now is 236.6 secs Computing kpt #: 273 total cpu time spent up to now is 238.0 secs Computing kpt #: 274 total cpu time spent up to now is 239.4 secs Computing kpt #: 275 total cpu time spent up to now is 240.8 secs Computing kpt #: 276 total cpu time spent up to now is 242.2 secs Computing kpt #: 277 total cpu time spent up to now is 243.5 secs Computing kpt #: 278 total cpu time spent up to now is 244.7 secs Computing kpt #: 279 total cpu time spent up to now is 245.8 secs Computing kpt #: 280 total cpu time spent up to now is 246.8 secs Computing kpt #: 281 total cpu time spent up to now is 247.9 secs Computing kpt #: 282 total cpu time spent up to now is 248.9 secs Computing kpt #: 283 total cpu time spent up to now is 249.9 secs Computing kpt #: 284 total cpu time spent up to now is 250.9 secs Computing kpt #: 285 total cpu time spent up to now is 251.9 secs Computing kpt #: 286 total cpu time spent up to now is 252.8 secs Computing kpt #: 287 total cpu time spent up to now is 253.8 secs Computing kpt #: 288 total cpu time spent up to now is 254.6 secs Computing kpt #: 289 total cpu time spent up to now is 255.6 secs Computing kpt #: 290 total cpu time spent up to now is 256.5 secs Computing kpt #: 291 total cpu time spent up to now is 257.3 secs Computing kpt #: 292 total cpu time spent up to now is 258.2 secs Computing kpt #: 293 total cpu time spent up to now is 259.2 secs Computing kpt #: 294 total cpu time spent up to now is 260.1 secs Computing kpt #: 295 total cpu time spent up to now is 260.9 secs Computing kpt #: 296 total cpu time spent up to now is 261.8 secs Computing kpt #: 297 total cpu time spent up to now is 262.6 secs Computing kpt #: 298 total cpu time spent up to now is 263.5 secs Computing kpt #: 299 total cpu time spent up to now is 264.3 secs Computing kpt #: 300 total cpu time spent up to now is 265.2 secs Computing kpt #: 301 total cpu time spent up to now is 266.1 secs Computing kpt #: 302 total cpu time spent up to now is 266.9 secs Computing kpt #: 303 total cpu time spent up to now is 267.8 secs Computing kpt #: 304 total cpu time spent up to now is 268.7 secs Computing kpt #: 305 total cpu time spent up to now is 269.6 secs Computing kpt #: 306 total cpu time spent up to now is 270.4 secs Computing kpt #: 307 total cpu time spent up to now is 271.3 secs Computing kpt #: 308 total cpu time spent up to now is 272.1 secs Computing kpt #: 309 total cpu time spent up to now is 273.0 secs Computing kpt #: 310 total cpu time spent up to now is 273.9 secs Computing kpt #: 311 total cpu time spent up to now is 274.8 secs Computing kpt #: 312 total cpu time spent up to now is 275.7 secs Computing kpt #: 313 total cpu time spent up to now is 276.6 secs Computing kpt #: 314 total cpu time spent up to now is 277.5 secs Computing kpt #: 315 total cpu time spent up to now is 278.4 secs Computing kpt #: 316 total cpu time spent up to now is 279.3 secs Computing kpt #: 317 total cpu time spent up to now is 280.1 secs Computing kpt #: 318 total cpu time spent up to now is 281.0 secs Computing kpt #: 319 total cpu time spent up to now is 282.0 secs Computing kpt #: 320 total cpu time spent up to now is 282.9 secs Computing kpt #: 321 total cpu time spent up to now is 283.8 secs Computing kpt #: 322 total cpu time spent up to now is 284.7 secs Computing kpt #: 323 total cpu time spent up to now is 285.6 secs Computing kpt #: 324 total cpu time spent up to now is 286.5 secs Computing kpt #: 325 total cpu time spent up to now is 287.4 secs Computing kpt #: 326 total cpu time spent up to now is 288.3 secs Computing kpt #: 327 total cpu time spent up to now is 289.5 secs Computing kpt #: 328 total cpu time spent up to now is 290.6 secs Computing kpt #: 329 total cpu time spent up to now is 291.5 secs Computing kpt #: 330 total cpu time spent up to now is 292.4 secs Computing kpt #: 331 total cpu time spent up to now is 293.3 secs Computing kpt #: 332 total cpu time spent up to now is 294.2 secs Computing kpt #: 333 total cpu time spent up to now is 295.1 secs Computing kpt #: 334 total cpu time spent up to now is 296.0 secs Computing kpt #: 335 total cpu time spent up to now is 296.9 secs Computing kpt #: 336 total cpu time spent up to now is 297.7 secs Computing kpt #: 337 total cpu time spent up to now is 298.5 secs Computing kpt #: 338 total cpu time spent up to now is 299.3 secs Computing kpt #: 339 total cpu time spent up to now is 300.1 secs Computing kpt #: 340 total cpu time spent up to now is 300.9 secs Computing kpt #: 341 total cpu time spent up to now is 301.7 secs Computing kpt #: 342 total cpu time spent up to now is 302.5 secs Computing kpt #: 343 total cpu time spent up to now is 303.3 secs Computing kpt #: 344 total cpu time spent up to now is 304.3 secs Computing kpt #: 345 total cpu time spent up to now is 305.3 secs Computing kpt #: 346 total cpu time spent up to now is 306.3 secs Computing kpt #: 347 total cpu time spent up to now is 307.3 secs Computing kpt #: 348 total cpu time spent up to now is 308.4 secs Computing kpt #: 349 total cpu time spent up to now is 309.4 secs Computing kpt #: 350 total cpu time spent up to now is 310.4 secs Computing kpt #: 351 total cpu time spent up to now is 311.4 secs Computing kpt #: 352 total cpu time spent up to now is 312.4 secs Computing kpt #: 353 total cpu time spent up to now is 313.4 secs Computing kpt #: 354 total cpu time spent up to now is 314.5 secs Computing kpt #: 355 total cpu time spent up to now is 315.5 secs Computing kpt #: 356 total cpu time spent up to now is 316.9 secs Computing kpt #: 357 total cpu time spent up to now is 318.0 secs Computing kpt #: 358 total cpu time spent up to now is 319.2 secs Computing kpt #: 359 total cpu time spent up to now is 320.3 secs Computing kpt #: 360 total cpu time spent up to now is 321.7 secs ethr = 1.92E-08, avg # of iterations = 18.1 total cpu time spent up to now is 321.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6643 PWs) bands (ev): -79.8952 -79.8952 -79.8855 -79.8855 -45.5960 -45.5960 -45.5653 -45.5653 -43.9383 -43.9383 -43.8856 -43.8856 -43.7668 -43.7668 -43.7597 -43.7597 -22.4438 -22.4438 -5.3181 -5.3181 -4.2142 -4.2142 -4.1765 -4.1765 1.7613 1.7613 5.2012 5.2012 7.0823 7.0823 9.0221 9.0221 9.0447 9.0447 9.1436 9.1436 9.3854 9.3854 10.0287 10.0287 10.0461 10.0461 10.7576 10.7576 11.0640 11.0640 11.0832 11.0832 11.5315 11.5315 11.5486 11.5486 11.6900 11.6900 12.8462 12.8462 14.8424 14.8424 14.8670 14.8670 16.2687 16.2687 k = 0.0000 0.0000 0.0188 ( 6655 PWs) bands (ev): -79.8952 -79.8952 -79.8859 -79.8859 -45.5961 -45.5961 -45.5653 -45.5653 -43.9383 -43.9383 -43.8856 -43.8856 -43.7669 -43.7669 -43.7597 -43.7597 -22.4438 -22.4438 -5.3182 -5.3182 -4.2142 -4.2142 -4.1768 -4.1768 1.7629 1.7629 5.2008 5.2008 7.0837 7.0837 9.0199 9.0199 9.0425 9.0425 9.1465 9.1465 9.3850 9.3850 10.0277 10.0277 10.0455 10.0455 10.7562 10.7562 11.0633 11.0633 11.0832 11.0832 11.5226 11.5226 11.5429 11.5429 11.7017 11.7017 12.8442 12.8442 14.8368 14.8368 14.8655 14.8655 16.2744 16.2744 k = 0.0000 0.0000 0.0375 ( 6671 PWs) bands (ev): -79.8955 -79.8955 -79.8862 -79.8862 -45.5961 -45.5961 -45.5654 -45.5654 -43.9383 -43.9383 -43.8857 -43.8857 -43.7669 -43.7669 -43.7598 -43.7598 -22.4437 -22.4437 -5.3186 -5.3186 -4.2144 -4.2144 -4.1777 -4.1777 1.7678 1.7678 5.1999 5.1999 7.0881 7.0881 9.0131 9.0131 9.0395 9.0395 9.1536 9.1536 9.3840 9.3840 10.0215 10.0215 10.0461 10.0461 10.7541 10.7541 11.0600 11.0600 11.0829 11.0829 11.4929 11.4929 11.5372 11.5372 11.7300 11.7300 12.8382 12.8382 14.8093 14.8093 14.8748 14.8748 16.2931 16.2931 k = 0.0000 0.0000 0.0563 ( 6659 PWs) bands (ev): -79.8955 -79.8955 -79.8858 -79.8858 -45.5959 -45.5959 -45.5655 -45.5655 -43.9381 -43.9381 -43.8858 -43.8858 -43.7668 -43.7668 -43.7598 -43.7598 -22.4436 -22.4436 -5.3192 -5.3192 -4.2146 -4.2146 -4.1791 -4.1791 1.7760 1.7760 5.1984 5.1984 7.0955 7.0955 9.0004 9.0004 9.0402 9.0402 9.1643 9.1643 9.3829 9.3829 10.0075 10.0075 10.0514 10.0514 10.7517 10.7517 11.0560 11.0560 11.0828 11.0828 11.4542 11.4542 11.5325 11.5325 11.7668 11.7668 12.8284 12.8284 14.7597 14.7597 14.8979 14.8979 16.3244 16.3244 k = 0.0000 0.0000 0.0751 ( 6659 PWs) bands (ev): -79.8955 -79.8955 -79.8858 -79.8858 -45.5959 -45.5959 -45.5655 -45.5655 -43.9380 -43.9380 -43.8860 -43.8860 -43.7668 -43.7668 -43.7598 -43.7598 -22.4434 -22.4434 -5.3200 -5.3200 -4.2149 -4.2149 -4.1811 -4.1811 1.7875 1.7875 5.1962 5.1962 7.1057 7.1057 8.9824 8.9824 9.0420 9.0420 9.1766 9.1766 9.3813 9.3813 9.9861 9.9861 10.0603 10.0603 10.7482 10.7482 11.0506 11.0506 11.0826 11.0826 11.4125 11.4125 11.5267 11.5267 11.8038 11.8038 12.8150 12.8150 14.6929 14.6929 14.9297 14.9297 16.3677 16.3677 k = 0.0000 0.0000 0.0939 ( 6663 PWs) bands (ev): -79.8954 -79.8954 -79.8860 -79.8860 -45.5958 -45.5958 -45.5656 -45.5656 -43.9378 -43.9378 -43.8862 -43.8862 -43.7668 -43.7668 -43.7598 -43.7598 -22.4432 -22.4432 -5.3211 -5.3211 -4.2153 -4.2153 -4.1836 -4.1836 1.8022 1.8022 5.1935 5.1935 7.1187 7.1187 8.9606 8.9606 9.0448 9.0448 9.1892 9.1892 9.3791 9.3791 9.9578 9.9578 10.0720 10.0720 10.7443 10.7443 11.0441 11.0441 11.0823 11.0823 11.3708 11.3708 11.5195 11.5195 11.8404 11.8404 12.7984 12.7984 14.6127 14.6127 14.9698 14.9698 16.4228 16.4228 k = 0.0000 0.0000 0.1126 ( 6663 PWs) bands (ev): -79.8954 -79.8954 -79.8861 -79.8861 -45.5957 -45.5957 -45.5658 -45.5658 -43.9376 -43.9376 -43.8864 -43.8864 -43.7668 -43.7668 -43.7599 -43.7599 -22.4429 -22.4429 -5.3224 -5.3224 -4.2159 -4.2159 -4.1866 -4.1866 1.8200 1.8200 5.1903 5.1903 7.1344 7.1344 8.9367 8.9367 9.0493 9.0493 9.2027 9.2027 9.3771 9.3771 9.9229 9.9229 10.0860 10.0860 10.7396 10.7396 11.0357 11.0357 11.0816 11.0816 11.3298 11.3298 11.5108 11.5108 11.8751 11.8751 12.7790 12.7790 14.5231 14.5231 15.0185 15.0185 16.4893 16.4893 k = 0.0000 0.0000 0.1314 ( 6655 PWs) bands (ev): -79.8953 -79.8953 -79.8858 -79.8858 -45.5954 -45.5954 -45.5659 -45.5659 -43.9373 -43.9373 -43.8867 -43.8867 -43.7667 -43.7667 -43.7599 -43.7599 -22.4426 -22.4426 -5.3240 -5.3240 -4.2165 -4.2165 -4.1901 -4.1901 1.8410 1.8410 5.1866 5.1866 7.1527 7.1527 8.9110 8.9110 9.0551 9.0551 9.2166 9.2166 9.3756 9.3756 9.8816 9.8816 10.1018 10.1018 10.7348 10.7348 11.0259 11.0259 11.0805 11.0805 11.2906 11.2906 11.5004 11.5004 11.9081 11.9081 12.7573 12.7573 14.4267 14.4267 15.0751 15.0751 16.5670 16.5670 k = 0.0000 0.0000 0.1502 ( 6655 PWs) bands (ev): -79.8954 -79.8954 -79.8858 -79.8858 -45.5952 -45.5952 -45.5661 -45.5661 -43.9370 -43.9370 -43.8870 -43.8870 -43.7666 -43.7666 -43.7600 -43.7600 -22.4422 -22.4422 -5.3258 -5.3258 -4.2172 -4.2172 -4.1940 -4.1940 1.8651 1.8651 5.1825 5.1825 7.1734 7.1734 8.8831 8.8831 9.0616 9.0616 9.2304 9.2304 9.3742 9.3742 9.8341 9.8341 10.1193 10.1193 10.7294 10.7294 11.0146 11.0146 11.0781 11.0781 11.2535 11.2535 11.4886 11.4886 11.9386 11.9386 12.7335 12.7335 14.3258 14.3258 15.1385 15.1385 16.6550 16.6550 k = 0.0000 0.0000 0.1690 ( 6659 PWs) bands (ev): -79.8953 -79.8953 -79.8859 -79.8859 -45.5951 -45.5951 -45.5663 -45.5663 -43.9367 -43.9367 -43.8873 -43.8873 -43.7666 -43.7666 -43.7601 -43.7601 -22.4418 -22.4418 -5.3278 -5.3278 -4.2181 -4.2181 -4.1983 -4.1983 1.8921 1.8921 5.1779 5.1779 7.1967 7.1967 8.8536 8.8536 9.0688 9.0688 9.2443 9.2443 9.3730 9.3730 9.7809 9.7809 10.1383 10.1383 10.7232 10.7232 11.0020 11.0020 11.0751 11.0751 11.2184 11.2184 11.4755 11.4755 11.9661 11.9661 12.7081 12.7081 14.2225 14.2225 15.2084 15.2084 16.7530 16.7530 k = 0.0000 0.0000 0.1877 ( 6667 PWs) bands (ev): -79.8955 -79.8955 -79.8860 -79.8860 -45.5949 -45.5949 -45.5667 -45.5667 -43.9363 -43.9363 -43.8878 -43.8878 -43.7666 -43.7666 -43.7601 -43.7601 -22.4414 -22.4414 -5.3300 -5.3300 -4.2193 -4.2193 -4.2028 -4.2028 1.9221 1.9221 5.1729 5.1729 7.2220 7.2220 8.8223 8.8223 9.0770 9.0770 9.2575 9.2575 9.3723 9.3723 9.7221 9.7221 10.1582 10.1582 10.7171 10.7171 10.9875 10.9875 11.0702 11.0702 11.1870 11.1870 11.4610 11.4610 11.9920 11.9920 12.6814 12.6814 14.1183 14.1183 15.2844 15.2844 16.8604 16.8604 k = 0.0000 0.0000 0.2065 ( 6675 PWs) bands (ev): -79.8956 -79.8956 -79.8862 -79.8862 -45.5947 -45.5947 -45.5669 -45.5669 -43.9360 -43.9360 -43.8883 -43.8883 -43.7665 -43.7665 -43.7602 -43.7602 -22.4409 -22.4409 -5.3324 -5.3324 -4.2209 -4.2209 -4.2073 -4.2073 1.9549 1.9549 5.1676 5.1676 7.2493 7.2493 8.7898 8.7898 9.0859 9.0859 9.2714 9.2714 9.3722 9.3722 9.6584 9.6584 10.1787 10.1787 10.7105 10.7105 10.9721 10.9721 11.0635 11.0635 11.1588 11.1588 11.4450 11.4450 12.0154 12.0154 12.6537 12.6537 14.0149 14.0149 15.3659 15.3659 16.9316 16.9316 k = 0.0000 0.0000 0.2253 ( 6671 PWs) bands (ev): -79.8954 -79.8954 -79.8863 -79.8863 -45.5944 -45.5944 -45.5672 -45.5672 -43.9355 -43.9355 -43.8887 -43.8887 -43.7665 -43.7665 -43.7602 -43.7602 -22.4403 -22.4403 -5.3350 -5.3350 -4.2232 -4.2232 -4.2115 -4.2115 1.9906 1.9906 5.1622 5.1622 7.2783 7.2783 8.7565 8.7565 9.0957 9.0957 9.2858 9.2858 9.3729 9.3729 9.5904 9.5904 10.1999 10.1999 10.7041 10.7041 10.9564 10.9564 11.0542 11.0542 11.1358 11.1358 11.4279 11.4279 12.0369 12.0369 12.6253 12.6253 13.9135 13.9135 15.4527 15.4527 16.9022 16.9022 k = 0.0000 0.0000 0.2441 ( 6671 PWs) bands (ev): -79.8954 -79.8954 -79.8862 -79.8862 -45.5941 -45.5941 -45.5675 -45.5675 -43.9350 -43.9350 -43.8892 -43.8892 -43.7664 -43.7664 -43.7603 -43.7603 -22.4397 -22.4397 -5.3377 -5.3377 -4.2268 -4.2268 -4.2148 -4.2148 2.0288 2.0288 5.1565 5.1565 7.3087 7.3087 8.7223 8.7223 9.1064 9.1064 9.2995 9.2995 9.3747 9.3747 9.5190 9.5190 10.2209 10.2209 10.6976 10.6976 10.9393 10.9393 11.0412 11.0412 11.1172 11.1172 11.4089 11.4089 12.0567 12.0567 12.5964 12.5964 13.8149 13.8149 15.5443 15.5443 16.8763 16.8763 k = 0.0000 0.0000 0.2628 ( 6669 PWs) bands (ev): -79.8952 -79.8952 -79.8863 -79.8863 -45.5938 -45.5938 -45.5678 -45.5678 -43.9345 -43.9345 -43.8897 -43.8897 -43.7663 -43.7663 -43.7604 -43.7604 -22.4391 -22.4391 -5.3407 -5.3407 -4.2318 -4.2318 -4.2171 -4.2171 2.0697 2.0697 5.1508 5.1508 7.3400 7.3400 8.6877 8.6877 9.1178 9.1178 9.3128 9.3128 9.3770 9.3770 9.4452 9.4452 10.2424 10.2424 10.6906 10.6906 10.9218 10.9218 11.0255 11.0255 11.1023 11.1023 11.3894 11.3894 12.0742 12.0742 12.5672 12.5672 13.7199 13.7199 15.6403 15.6403 16.8533 16.8533 k = 0.0000 0.0000 0.2816 ( 6669 PWs) bands (ev): -79.8951 -79.8951 -79.8864 -79.8864 -45.5935 -45.5935 -45.5681 -45.5681 -43.9340 -43.9340 -43.8903 -43.8903 -43.7662 -43.7662 -43.7604 -43.7604 -22.4385 -22.4385 -5.3438 -5.3438 -4.2377 -4.2377 -4.2187 -4.2187 2.1129 2.1129 5.1449 5.1449 7.3719 7.3719 8.6532 8.6532 9.1300 9.1300 9.3207 9.3207 9.3683 9.3683 9.3857 9.3857 10.2634 10.2634 10.6830 10.6830 10.9039 10.9039 11.0081 11.0081 11.0899 11.0899 11.3683 11.3683 12.0900 12.0900 12.5378 12.5378 13.6292 13.6292 15.7404 15.7404 16.8343 16.8343 k = 0.0000 0.0000 0.3004 ( 6685 PWs) bands (ev): -79.8952 -79.8952 -79.8869 -79.8869 -45.5933 -45.5933 -45.5685 -45.5685 -43.9336 -43.9336 -43.8909 -43.8909 -43.7662 -43.7662 -43.7605 -43.7605 -22.4378 -22.4378 -5.3471 -5.3471 -4.2442 -4.2442 -4.2199 -4.2199 2.1585 2.1585 5.1391 5.1391 7.4037 7.4037 8.6191 8.6191 9.1424 9.1424 9.2757 9.2757 9.3497 9.3497 9.3869 9.3869 10.2839 10.2839 10.6740 10.6740 10.8851 10.8851 10.9896 10.9896 11.0779 11.0779 11.3461 11.3461 12.1027 12.1027 12.5081 12.5081 13.5433 13.5433 15.8438 15.8438 16.8191 16.8191 k = 0.0000 0.0000 0.3192 ( 6691 PWs) bands (ev): -79.8952 -79.8952 -79.8870 -79.8870 -45.5929 -45.5929 -45.5689 -45.5689 -43.9330 -43.9330 -43.8916 -43.8916 -43.7662 -43.7662 -43.7606 -43.7606 -22.4371 -22.4371 -5.3505 -5.3505 -4.2510 -4.2510 -4.2210 -4.2210 2.2063 2.2063 5.1334 5.1334 7.4348 7.4348 8.5864 8.5864 9.1557 9.1557 9.1969 9.1969 9.3601 9.3601 9.3931 9.3931 10.3039 10.3039 10.6648 10.6648 10.8659 10.8659 10.9719 10.9719 11.0660 11.0660 11.3229 11.3229 12.1150 12.1150 12.4784 12.4784 13.4627 13.4627 15.9506 15.9506 16.8093 16.8093 k = 0.0000 0.0000 0.3379 ( 6695 PWs) bands (ev): -79.8951 -79.8951 -79.8872 -79.8872 -45.5926 -45.5926 -45.5692 -45.5692 -43.9324 -43.9324 -43.8923 -43.8923 -43.7661 -43.7661 -43.7606 -43.7606 -22.4364 -22.4364 -5.3540 -5.3540 -4.2582 -4.2582 -4.2220 -4.2220 2.2562 2.2562 5.1278 5.1278 7.4645 7.4645 8.5558 8.5558 9.1142 9.1142 9.1696 9.1696 9.3728 9.3728 9.4008 9.4008 10.3231 10.3231 10.6544 10.6544 10.8473 10.8473 10.9549 10.9549 11.0535 11.0535 11.2987 11.2987 12.1258 12.1258 12.4487 12.4487 13.3877 13.3877 16.0605 16.0605 16.8039 16.8039 k = 0.0000 0.0000 0.3567 ( 6699 PWs) bands (ev): -79.8950 -79.8950 -79.8875 -79.8875 -45.5923 -45.5923 -45.5696 -45.5696 -43.9318 -43.9318 -43.8930 -43.8930 -43.7660 -43.7660 -43.7607 -43.7607 -22.4356 -22.4356 -5.3576 -5.3576 -4.2655 -4.2655 -4.2229 -4.2229 2.3080 2.3080 5.1223 5.1223 7.4918 7.4918 8.5283 8.5283 9.0302 9.0302 9.1843 9.1843 9.3851 9.3851 9.4100 9.4100 10.3414 10.3414 10.6428 10.6428 10.8291 10.8291 10.9389 10.9389 11.0401 11.0401 11.2735 11.2735 12.1355 12.1355 12.4191 12.4191 13.3185 13.3185 16.1731 16.1731 16.8031 16.8031 k = 0.0000 0.0000 0.3755 ( 6693 PWs) bands (ev): -79.8948 -79.8948 -79.8874 -79.8874 -45.5919 -45.5919 -45.5700 -45.5700 -43.9312 -43.9312 -43.8936 -43.8936 -43.7659 -43.7659 -43.7607 -43.7607 -22.4348 -22.4348 -5.3613 -5.3613 -4.2730 -4.2730 -4.2238 -4.2238 2.3616 2.3616 5.1172 5.1172 7.5156 7.5156 8.5051 8.5051 8.9455 8.9455 9.2001 9.2001 9.3971 9.3971 9.4213 9.4213 10.3587 10.3587 10.6299 10.6299 10.8113 10.8113 10.9240 10.9240 11.0256 11.0256 11.2475 11.2475 12.1447 12.1447 12.3899 12.3899 13.2554 13.2554 16.2885 16.2885 16.8072 16.8072 k = 0.0000 0.0000 0.3942 ( 6697 PWs) bands (ev): -79.8947 -79.8947 -79.8877 -79.8877 -45.5915 -45.5915 -45.5704 -45.5704 -43.9306 -43.9306 -43.8944 -43.8944 -43.7658 -43.7658 -43.7608 -43.7608 -22.4340 -22.4340 -5.3651 -5.3651 -4.2806 -4.2806 -4.2246 -4.2246 2.4168 2.4168 5.1123 5.1123 7.5349 7.5349 8.4871 8.4871 8.8607 8.8607 9.2158 9.2158 9.4082 9.4082 9.4338 9.4338 10.3750 10.3750 10.6155 10.6155 10.7936 10.7936 10.9100 10.9100 11.0099 11.0099 11.2208 11.2208 12.1521 12.1521 12.3605 12.3605 13.1981 13.1981 16.4054 16.4054 16.8156 16.8156 k = 0.0000 0.0000 0.4130 ( 6689 PWs) bands (ev): -79.8944 -79.8944 -79.8877 -79.8877 -45.5911 -45.5911 -45.5708 -45.5708 -43.9299 -43.9299 -43.8951 -43.8951 -43.7657 -43.7657 -43.7608 -43.7608 -22.4332 -22.4332 -5.3689 -5.3689 -4.2883 -4.2883 -4.2253 -4.2253 2.4735 2.4735 5.1078 5.1078 7.5488 7.5488 8.4755 8.4755 8.7760 8.7760 9.2324 9.2324 9.4196 9.4196 9.4476 9.4476 10.3902 10.3902 10.6001 10.6001 10.7766 10.7766 10.8966 10.8966 10.9934 10.9934 11.1941 11.1941 12.1589 12.1589 12.3313 12.3313 13.1468 13.1468 16.5243 16.5243 16.8278 16.8278 k = 0.0000 0.0000 0.4318 ( 6699 PWs) bands (ev): -79.8944 -79.8944 -79.8880 -79.8880 -45.5908 -45.5908 -45.5712 -45.5712 -43.9293 -43.9293 -43.8959 -43.8959 -43.7657 -43.7657 -43.7609 -43.7609 -22.4323 -22.4323 -5.3728 -5.3728 -4.2959 -4.2959 -4.2260 -4.2260 2.5314 2.5314 5.1037 5.1037 7.5561 7.5561 8.4712 8.4712 8.6917 8.6917 9.2491 9.2491 9.4305 9.4305 9.4612 9.4612 10.4040 10.4040 10.5823 10.5823 10.7596 10.7596 10.8827 10.8827 10.9762 10.9762 11.1665 11.1665 12.1642 12.1642 12.3019 12.3019 13.1011 13.1011 16.6442 16.6442 16.8407 16.8407 k = 0.0000 0.0000 0.4506 ( 6687 PWs) bands (ev): -79.8939 -79.8939 -79.8880 -79.8880 -45.5903 -45.5903 -45.5716 -45.5716 -43.9285 -43.9285 -43.8966 -43.8966 -43.7655 -43.7655 -43.7609 -43.7609 -22.4315 -22.4315 -5.3768 -5.3768 -4.3036 -4.3036 -4.2267 -4.2267 2.5905 2.5905 5.1000 5.1000 7.5566 7.5566 8.4751 8.4751 8.6084 8.6084 9.2666 9.2666 9.4422 9.4422 9.4758 9.4758 10.4164 10.4164 10.5643 10.5643 10.7445 10.7445 10.8686 10.8686 10.9601 10.9601 11.1387 11.1387 12.1695 12.1695 12.2729 12.2729 13.0612 13.0612 16.7653 16.7653 16.8511 16.8511 k = 0.0000 0.0000 0.4693 ( 6687 PWs) bands (ev): -79.8937 -79.8937 -79.8883 -79.8883 -45.5899 -45.5899 -45.5720 -45.5720 -43.9279 -43.9279 -43.8973 -43.8973 -43.7654 -43.7654 -43.7609 -43.7609 -22.4306 -22.4306 -5.3807 -5.3807 -4.3112 -4.3112 -4.2273 -4.2273 2.6504 2.6504 5.0968 5.0968 7.5503 7.5503 8.4861 8.4861 8.5268 8.5268 9.2842 9.2842 9.4538 9.4538 9.4899 9.4899 10.4275 10.4275 10.5439 10.5439 10.7296 10.7296 10.8526 10.8526 10.9455 10.9455 11.1110 11.1110 12.1733 12.1733 12.2436 12.2436 13.0260 13.0260 16.8471 16.8471 16.8873 16.8873 k = 0.0000 0.0000 0.4881 ( 6695 PWs) bands (ev): -79.8935 -79.8935 -79.8887 -79.8887 -45.5896 -45.5896 -45.5724 -45.5724 -43.9272 -43.9272 -43.8981 -43.8981 -43.7654 -43.7654 -43.7609 -43.7609 -22.4297 -22.4297 -5.3847 -5.3847 -4.3188 -4.3188 -4.2279 -4.2279 2.7111 2.7111 5.0940 5.0940 7.5375 7.5375 8.4434 8.4434 8.5075 8.5075 9.3017 9.3017 9.4657 9.4657 9.5038 9.5038 10.4369 10.4369 10.5227 10.5227 10.7147 10.7147 10.8336 10.8336 10.9330 10.9330 11.0836 11.0836 12.1763 12.1763 12.2140 12.2140 12.9949 12.9949 16.8116 16.8116 17.0083 17.0083 k = 0.0000 0.0000 0.5069 ( 6691 PWs) bands (ev): -79.8933 -79.8933 -79.8888 -79.8888 -45.5892 -45.5892 -45.5728 -45.5728 -43.9265 -43.9265 -43.8989 -43.8989 -43.7653 -43.7653 -43.7610 -43.7610 -22.4289 -22.4289 -5.3886 -5.3886 -4.3263 -4.3263 -4.2284 -4.2284 2.7722 2.7722 5.0918 5.0918 7.5192 7.5192 8.3639 8.3639 8.5334 8.5334 9.3198 9.3198 9.4778 9.4778 9.5174 9.5174 10.4446 10.4446 10.5019 10.5019 10.7014 10.7014 10.8117 10.8117 10.9233 10.9233 11.0570 11.0570 12.1794 12.1794 12.1847 12.1847 12.9679 12.9679 16.7302 16.7302 17.0818 17.0818 k = 0.0000 0.0000 0.5257 ( 6693 PWs) bands (ev): -79.8932 -79.8932 -79.8889 -79.8889 -45.5888 -45.5888 -45.5733 -45.5733 -43.9258 -43.9258 -43.8997 -43.8997 -43.7651 -43.7651 -43.7610 -43.7610 -22.4280 -22.4280 -5.3926 -5.3926 -4.3336 -4.3336 -4.2288 -4.2288 2.8336 2.8336 5.0901 5.0901 7.4963 7.4963 8.2856 8.2856 8.5656 8.5656 9.3379 9.3379 9.4899 9.4899 9.5304 9.5304 10.4504 10.4504 10.4806 10.4806 10.6883 10.6883 10.7867 10.7867 10.9161 10.9161 11.0312 11.0312 12.1551 12.1551 12.1820 12.1820 12.9439 12.9439 16.6148 16.6148 16.9345 16.9345 k = 0.0000 0.0000 0.5444 ( 6709 PWs) bands (ev): -79.8932 -79.8932 -79.8895 -79.8895 -45.5885 -45.5885 -45.5738 -45.5738 -43.9253 -43.9253 -43.9006 -43.9006 -43.7651 -43.7651 -43.7611 -43.7611 -22.4271 -22.4271 -5.3965 -5.3965 -4.3409 -4.3409 -4.2292 -4.2292 2.8951 2.8951 5.0888 5.0888 7.4700 7.4700 8.2090 8.2090 8.6024 8.6024 9.3557 9.3557 9.5013 9.5013 9.5427 9.5427 10.4541 10.4541 10.4586 10.4586 10.6761 10.6761 10.7589 10.7589 10.9110 10.9110 11.0066 11.0066 12.1249 12.1249 12.1841 12.1841 12.9217 12.9217 16.4829 16.4829 16.7939 16.7939 k = 0.0000 0.0000 0.5632 ( 6713 PWs) bands (ev): -79.8932 -79.8932 -79.8896 -79.8896 -45.5881 -45.5881 -45.5743 -45.5743 -43.9246 -43.9246 -43.9014 -43.9014 -43.7649 -43.7649 -43.7612 -43.7612 -22.4262 -22.4262 -5.4003 -5.4003 -4.3479 -4.3479 -4.2296 -4.2296 2.9564 2.9564 5.0882 5.0882 7.4416 7.4416 8.1342 8.1342 8.6434 8.6434 9.3738 9.3738 9.5132 9.5132 9.5545 9.5545 10.4369 10.4369 10.4555 10.4555 10.6650 10.6650 10.7295 10.7295 10.9066 10.9066 10.9848 10.9848 12.0950 12.0950 12.1862 12.1862 12.9016 12.9016 16.3451 16.3451 16.6621 16.6621 k = 0.0000 0.0000 0.5820 ( 6701 PWs) bands (ev): -79.8930 -79.8930 -79.8894 -79.8894 -45.5876 -45.5876 -45.5747 -45.5747 -43.9238 -43.9238 -43.9022 -43.9022 -43.7647 -43.7647 -43.7612 -43.7612 -22.4254 -22.4254 -5.4041 -5.4041 -4.3548 -4.3548 -4.2299 -4.2299 3.0172 3.0172 5.0882 5.0882 7.4121 7.4121 8.0615 8.0615 8.6874 8.6874 9.3916 9.3916 9.5258 9.5258 9.5662 9.5662 10.4156 10.4156 10.4543 10.4543 10.6557 10.6557 10.6993 10.6993 10.9033 10.9033 10.9670 10.9670 12.0647 12.0647 12.1881 12.1881 12.8827 12.8827 16.2057 16.2057 16.5405 16.5405 k = 0.0000 0.0000 0.6008 ( 6703 PWs) bands (ev): -79.8929 -79.8929 -79.8895 -79.8895 -45.5871 -45.5871 -45.5752 -45.5752 -43.9232 -43.9232 -43.9030 -43.9030 -43.7646 -43.7646 -43.7612 -43.7612 -22.4245 -22.4245 -5.4078 -5.4078 -4.3615 -4.3615 -4.2302 -4.2302 3.0774 3.0774 5.0886 5.0886 7.3824 7.3824 7.9908 7.9908 8.7333 8.7333 9.4088 9.4088 9.5374 9.5374 9.5767 9.5767 10.3940 10.3940 10.4501 10.4501 10.6467 10.6467 10.6686 10.6686 10.9000 10.9000 10.9528 10.9528 12.0338 12.0338 12.1893 12.1893 12.8634 12.8634 16.0666 16.0666 16.4298 16.4298 k = 0.0000 0.0000 0.6195 ( 6705 PWs) bands (ev): -79.8929 -79.8929 -79.8896 -79.8896 -45.5867 -45.5867 -45.5756 -45.5756 -43.9225 -43.9225 -43.9038 -43.9038 -43.7644 -43.7644 -43.7613 -43.7613 -22.4237 -22.4237 -5.4114 -5.4114 -4.3681 -4.3681 -4.2304 -4.2304 3.1366 3.1366 5.0896 5.0896 7.3532 7.3532 7.9223 7.9223 8.7805 8.7805 9.4257 9.4257 9.5485 9.5485 9.5864 9.5864 10.3728 10.3728 10.4427 10.4427 10.6316 10.6316 10.6456 10.6456 10.8962 10.8962 10.9426 10.9426 12.0026 12.0026 12.1904 12.1904 12.8432 12.8432 15.9289 15.9289 16.3311 16.3311 k = 0.0000 0.0000 0.6383 ( 6709 PWs) bands (ev): -79.8927 -79.8927 -79.8899 -79.8899 -45.5864 -45.5864 -45.5760 -45.5760 -43.9219 -43.9219 -43.9046 -43.9046 -43.7643 -43.7643 -43.7613 -43.7613 -22.4228 -22.4228 -5.4149 -5.4149 -4.3743 -4.3743 -4.2305 -4.2305 3.1947 3.1947 5.0910 5.0910 7.3253 7.3253 7.8562 7.8562 8.8283 8.8283 9.4418 9.4418 9.5588 9.5588 9.5950 9.5950 10.3517 10.3517 10.4320 10.4320 10.6016 10.6016 10.6395 10.6395 10.8933 10.8933 10.9365 10.9365 11.9708 11.9708 12.1907 12.1907 12.8213 12.8213 15.7934 15.7934 16.2454 16.2454 k = 0.0000 0.0000 0.6571 ( 6705 PWs) bands (ev): -79.8926 -79.8926 -79.8899 -79.8899 -45.5860 -45.5860 -45.5765 -45.5765 -43.9212 -43.9212 -43.9053 -43.9053 -43.7641 -43.7641 -43.7613 -43.7613 -22.4220 -22.4220 -5.4184 -5.4184 -4.3804 -4.3804 -4.2307 -4.2307 3.2513 3.2513 5.0929 5.0929 7.2993 7.2993 7.7925 7.7925 8.8759 8.8759 9.4577 9.4577 9.5687 9.5687 9.6030 9.6030 10.3311 10.3311 10.4180 10.4180 10.5696 10.5696 10.6372 10.6372 10.8919 10.8919 10.9341 10.9341 11.9391 11.9391 12.1915 12.1915 12.7972 12.7972 15.6608 15.6608 16.1731 16.1731 k = 0.0000 0.0000 0.6758 ( 6701 PWs) bands (ev): -79.8924 -79.8924 -79.8900 -79.8900 -45.5856 -45.5856 -45.5768 -45.5768 -43.9206 -43.9206 -43.9060 -43.9060 -43.7639 -43.7639 -43.7614 -43.7614 -22.4212 -22.4212 -5.4217 -5.4217 -4.3862 -4.3862 -4.2308 -4.2308 3.3062 3.3062 5.0953 5.0953 7.2758 7.2758 7.7313 7.7313 8.9231 8.9231 9.4726 9.4726 9.5777 9.5777 9.6104 9.6104 10.3107 10.3107 10.4010 10.4010 10.5375 10.5375 10.6371 10.6371 10.8924 10.8924 10.9341 10.9341 11.9067 11.9067 12.1918 12.1918 12.7710 12.7710 15.5314 15.5314 16.1149 16.1149 k = 0.0000 0.0000 0.6946 ( 6689 PWs) bands (ev): -79.8920 -79.8920 -79.8899 -79.8899 -45.5852 -45.5852 -45.5772 -45.5772 -43.9200 -43.9200 -43.9067 -43.9067 -43.7638 -43.7638 -43.7613 -43.7613 -22.4205 -22.4205 -5.4249 -5.4249 -4.3918 -4.3918 -4.2308 -4.2308 3.3592 3.3592 5.0981 5.0981 7.2551 7.2551 7.6727 7.6727 8.9691 8.9691 9.4869 9.4869 9.5862 9.5862 9.6173 9.6173 10.2913 10.2913 10.3814 10.3814 10.5058 10.5058 10.6396 10.6396 10.8957 10.8957 10.9364 10.9364 11.8740 11.8740 12.1920 12.1920 12.7416 12.7416 15.4056 15.4056 16.0710 16.0710 k = 0.0000 0.0000 0.7134 ( 6701 PWs) bands (ev): -79.8921 -79.8921 -79.8902 -79.8902 -45.5849 -45.5849 -45.5777 -45.5777 -43.9195 -43.9195 -43.9075 -43.9075 -43.7636 -43.7636 -43.7614 -43.7614 -22.4197 -22.4197 -5.4279 -5.4279 -4.3971 -4.3971 -4.2308 -4.2308 3.4099 3.4099 5.1012 5.1012 7.2374 7.2374 7.6166 7.6166 9.0130 9.0130 9.4997 9.4997 9.5930 9.5930 9.6231 9.6231 10.2717 10.2717 10.3595 10.3595 10.4740 10.4740 10.6432 10.6432 10.9002 10.9002 10.9395 10.9395 11.8403 11.8403 12.1917 12.1917 12.7085 12.7085 15.2832 15.2832 16.0415 16.0415 k = 0.0000 0.0000 0.7322 ( 6701 PWs) bands (ev): -79.8919 -79.8919 -79.8904 -79.8904 -45.5846 -45.5846 -45.5780 -45.5780 -43.9189 -43.9189 -43.9082 -43.9082 -43.7635 -43.7635 -43.7614 -43.7614 -22.4190 -22.4190 -5.4308 -5.4308 -4.4021 -4.4021 -4.2308 -4.2308 3.4583 3.4583 5.1046 5.1046 7.2231 7.2231 7.5632 7.5632 9.0547 9.0547 9.5120 9.5120 9.5991 9.5991 9.6289 9.6289 10.2532 10.2532 10.3361 10.3361 10.4428 10.4428 10.6496 10.6496 10.9067 10.9067 10.9452 10.9452 11.8065 11.8065 12.1916 12.1916 12.6726 12.6726 15.1651 15.1651 16.0268 16.0268 k = 0.0000 0.0000 0.7509 ( 6701 PWs) bands (ev): -79.8919 -79.8919 -79.8904 -79.8904 -45.5842 -45.5842 -45.5784 -45.5784 -43.9184 -43.9184 -43.9089 -43.9089 -43.7634 -43.7634 -43.7614 -43.7614 -22.4183 -22.4183 -5.4336 -5.4336 -4.4069 -4.4069 -4.2308 -4.2308 3.5041 3.5041 5.1083 5.1083 7.2124 7.2124 7.5128 7.5128 9.0934 9.0934 9.5229 9.5229 9.6043 9.6043 9.6346 9.6346 10.2357 10.2357 10.3117 10.3117 10.4121 10.4121 10.6575 10.6575 10.9136 10.9136 10.9536 10.9536 11.7720 11.7720 12.1919 12.1919 12.6339 12.6339 15.0513 15.0513 16.0258 16.0258 k = 0.0000 0.0000 0.7697 ( 6709 PWs) bands (ev): -79.8920 -79.8920 -79.8906 -79.8906 -45.5839 -45.5839 -45.5788 -45.5788 -43.9179 -43.9179 -43.9095 -43.9095 -43.7633 -43.7633 -43.7614 -43.7614 -22.4176 -22.4176 -5.4363 -5.4363 -4.4114 -4.4114 -4.2308 -4.2308 3.5472 3.5472 5.1121 5.1121 7.2054 7.2054 7.4650 7.4650 9.1285 9.1285 9.5330 9.5330 9.6086 9.6086 9.6398 9.6398 10.2183 10.2183 10.2866 10.2866 10.3818 10.3818 10.6679 10.6679 10.9197 10.9197 10.9648 10.9648 11.7371 11.7371 12.1912 12.1912 12.5932 12.5932 14.9419 14.9419 16.0380 16.0380 k = 0.0000 0.0000 0.7885 ( 6709 PWs) bands (ev): -79.8919 -79.8919 -79.8907 -79.8907 -45.5836 -45.5836 -45.5791 -45.5791 -43.9174 -43.9174 -43.9101 -43.9101 -43.7631 -43.7631 -43.7614 -43.7614 -22.4170 -22.4170 -5.4387 -5.4387 -4.4156 -4.4156 -4.2307 -4.2307 3.5874 3.5874 5.1161 5.1161 7.2020 7.2020 7.4201 7.4201 9.1594 9.1594 9.5427 9.5427 9.6129 9.6129 9.6450 9.6450 10.2017 10.2017 10.2614 10.2614 10.3526 10.3526 10.6812 10.6812 10.9249 10.9249 10.9788 10.9788 11.7024 11.7024 12.1909 12.1909 12.5510 12.5510 14.8374 14.8374 16.0633 16.0633 k = 0.0000 0.0000 0.8073 ( 6703 PWs) bands (ev): -79.8917 -79.8917 -79.8906 -79.8906 -45.5833 -45.5833 -45.5794 -45.5794 -43.9170 -43.9170 -43.9107 -43.9107 -43.7629 -43.7629 -43.7614 -43.7614 -22.4164 -22.4164 -5.4411 -5.4411 -4.4195 -4.4195 -4.2306 -4.2306 3.6246 3.6246 5.1202 5.1202 7.2021 7.2021 7.3782 7.3782 9.1854 9.1854 9.5516 9.5516 9.6179 9.6179 9.6501 9.6501 10.1867 10.1867 10.2366 10.2366 10.3242 10.3242 10.6967 10.6967 10.9293 10.9293 10.9953 10.9953 11.6675 11.6675 12.1908 12.1908 12.5085 12.5085 14.7379 14.7379 16.1003 16.1003 k = 0.0000 0.0000 0.8260 ( 6699 PWs) bands (ev): -79.8915 -79.8915 -79.8907 -79.8907 -45.5830 -45.5830 -45.5797 -45.5797 -43.9165 -43.9165 -43.9112 -43.9112 -43.7628 -43.7628 -43.7614 -43.7614 -22.4159 -22.4159 -5.4432 -5.4432 -4.4232 -4.4232 -4.2305 -4.2305 3.6588 3.6588 5.1243 5.1243 7.2056 7.2056 7.3392 7.3392 9.2060 9.2060 9.5600 9.5600 9.6236 9.6236 9.6552 9.6552 10.1721 10.1721 10.2126 10.2126 10.2966 10.2966 10.7140 10.7140 10.9325 10.9325 11.0135 11.0135 11.6324 11.6324 12.1904 12.1904 12.4661 12.4661 14.6438 14.6438 16.1479 16.1479 k = 0.0000 0.0000 0.8448 ( 6699 PWs) bands (ev): -79.8914 -79.8914 -79.8908 -79.8908 -45.5828 -45.5828 -45.5799 -45.5799 -43.9162 -43.9162 -43.9117 -43.9117 -43.7627 -43.7627 -43.7614 -43.7614 -22.4154 -22.4154 -5.4452 -5.4452 -4.4265 -4.4265 -4.2304 -4.2304 3.6899 3.6899 5.1284 5.1284 7.2120 7.2120 7.3032 7.3032 9.2205 9.2205 9.5673 9.5673 9.6305 9.6305 9.6608 9.6608 10.1582 10.1582 10.1898 10.1898 10.2698 10.2698 10.7326 10.7326 10.9357 10.9357 11.0327 11.0327 11.5972 11.5972 12.1900 12.1900 12.4239 12.4239 14.5554 14.5554 16.2051 16.2051 k = 0.0000 0.0000 0.8636 ( 6697 PWs) bands (ev): -79.8915 -79.8915 -79.8906 -79.8906 -45.5825 -45.5825 -45.5803 -45.5803 -43.9157 -43.9157 -43.9122 -43.9122 -43.7625 -43.7625 -43.7614 -43.7614 -22.4149 -22.4149 -5.4471 -5.4471 -4.4296 -4.4296 -4.2303 -4.2303 3.7179 3.7179 5.1323 5.1323 7.2208 7.2208 7.2705 7.2705 9.2291 9.2291 9.5733 9.5733 9.6380 9.6380 9.6675 9.6675 10.1450 10.1450 10.1688 10.1688 10.2436 10.2436 10.7529 10.7529 10.9392 10.9392 11.0525 11.0525 11.5619 11.5619 12.1915 12.1915 12.3826 12.3826 14.4728 14.4728 16.2703 16.2703 k = 0.0000 0.0000 0.8824 ( 6695 PWs) bands (ev): -79.8912 -79.8912 -79.8908 -79.8908 -45.5823 -45.5823 -45.5804 -45.5804 -43.9155 -43.9155 -43.9125 -43.9125 -43.7624 -43.7624 -43.7614 -43.7614 -22.4144 -22.4144 -5.4487 -5.4487 -4.4323 -4.4323 -4.2302 -4.2302 3.7429 3.7429 5.1361 5.1361 7.2312 7.2312 7.2415 7.2415 9.2326 9.2326 9.5789 9.5789 9.6452 9.6452 9.6766 9.6766 10.1305 10.1305 10.1506 10.1506 10.2189 10.2189 10.7746 10.7746 10.9417 10.9417 11.0721 11.0721 11.5272 11.5272 12.1910 12.1910 12.3452 12.3452 14.3967 14.3967 16.3424 16.3424 k = 0.0000 0.0000 0.9011 ( 6687 PWs) bands (ev): -79.8910 -79.8910 -79.8907 -79.8907 -45.5821 -45.5821 -45.5806 -45.5806 -43.9151 -43.9151 -43.9129 -43.9129 -43.7623 -43.7623 -43.7614 -43.7614 -22.4140 -22.4140 -5.4502 -5.4502 -4.4348 -4.4348 -4.2301 -4.2301 3.7650 3.7650 5.1398 5.1398 7.2132 7.2132 7.2454 7.2454 9.2313 9.2313 9.5835 9.5835 9.6514 9.6514 9.6892 9.6892 10.1158 10.1158 10.1363 10.1363 10.1953 10.1953 10.7973 10.7973 10.9439 10.9439 11.0919 11.0919 11.4931 11.4931 12.1906 12.1906 12.3093 12.3093 14.3275 14.3275 16.4196 16.4196 k = 0.0000 0.0000 0.9199 ( 6691 PWs) bands (ev): -79.8911 -79.8911 -79.8907 -79.8907 -45.5819 -45.5819 -45.5808 -45.5808 -43.9149 -43.9149 -43.9133 -43.9133 -43.7622 -43.7622 -43.7614 -43.7614 -22.4137 -22.4137 -5.4515 -5.4515 -4.4370 -4.4370 -4.2300 -4.2300 3.7841 3.7841 5.1431 5.1431 7.1896 7.1896 7.2588 7.2588 9.2264 9.2264 9.5867 9.5867 9.6550 9.6550 9.7040 9.7040 10.1004 10.1004 10.1249 10.1249 10.1729 10.1729 10.8208 10.8208 10.9459 10.9459 11.1099 11.1099 11.4597 11.4597 12.1907 12.1907 12.2766 12.2766 14.2651 14.2651 16.4999 16.4999 k = 0.0000 0.0000 0.9387 ( 6700 PWs) bands (ev): -79.8914 -79.8914 -79.8907 -79.8907 -45.5817 -45.5817 -45.5811 -45.5811 -43.9146 -43.9146 -43.9136 -43.9136 -43.7621 -43.7621 -43.7615 -43.7615 -22.4134 -22.4134 -5.4527 -5.4527 -4.4389 -4.4389 -4.2299 -4.2299 3.8004 3.8004 5.1460 5.1460 7.1691 7.1691 7.2723 7.2723 9.2190 9.2190 9.5895 9.5895 9.6578 9.6578 9.7204 9.7204 10.0853 10.0853 10.1155 10.1155 10.1522 10.1522 10.8441 10.8441 10.9466 10.9466 11.1268 11.1268 11.4278 11.4278 12.1904 12.1904 12.2469 12.2469 14.2098 14.2098 16.5814 16.5814 k = 0.0000 0.0000 0.9575 ( 6688 PWs) bands (ev): -79.8912 -79.8912 -79.8905 -79.8905 -45.5815 -45.5815 -45.5812 -45.5812 -43.9144 -43.9144 -43.9139 -43.9139 -43.7620 -43.7620 -43.7615 -43.7615 -22.4131 -22.4131 -5.4537 -5.4537 -4.4405 -4.4405 -4.2298 -4.2298 3.8140 3.8140 5.1486 5.1486 7.1516 7.1516 7.2856 7.2856 9.2105 9.2105 9.5920 9.5920 9.6602 9.6602 9.7375 9.7375 10.0722 10.0722 10.1076 10.1076 10.1341 10.1341 10.8681 10.8681 10.9486 10.9486 11.1424 11.1424 11.3981 11.3981 12.1904 12.1904 12.2221 12.2221 14.1626 14.1626 16.6618 16.6618 k = 0.0000 0.0000 0.9762 ( 6692 PWs) bands (ev): -79.8912 -79.8912 -79.8906 -79.8906 -45.5815 -45.5815 -45.5813 -45.5813 -43.9142 -43.9142 -43.9141 -43.9141 -43.7620 -43.7620 -43.7614 -43.7614 -22.4129 -22.4129 -5.4545 -5.4545 -4.4418 -4.4418 -4.2298 -4.2298 3.8250 3.8250 5.1508 5.1508 7.1373 7.1373 7.2974 7.2974 9.2018 9.2018 9.5938 9.5938 9.6616 9.6616 9.7534 9.7534 10.0607 10.0607 10.1001 10.1001 10.1189 10.1189 10.8892 10.8892 10.9501 10.9501 11.1555 11.1555 11.3708 11.3708 12.1893 12.1893 12.2011 12.2011 14.1234 14.1234 16.7379 16.7379 k = 0.0000 0.0000 0.9950 ( 6688 PWs) bands (ev): -79.8911 -79.8911 -79.8905 -79.8905 -45.5814 -45.5814 -45.5813 -45.5813 -43.9143 -43.9143 -43.9141 -43.9141 -43.7619 -43.7619 -43.7614 -43.7614 -22.4127 -22.4127 -5.4551 -5.4551 -4.4428 -4.4428 -4.2297 -4.2297 3.8334 3.8334 5.1525 5.1525 7.1262 7.1262 7.3075 7.3075 9.1940 9.1940 9.5952 9.5952 9.6628 9.6628 9.7676 9.7676 10.0512 10.0512 10.0929 10.0929 10.1080 10.1080 10.9090 10.9090 10.9506 10.9506 11.1663 11.1663 11.3474 11.3474 12.1829 12.1829 12.1910 12.1910 14.0925 14.0925 16.8065 16.8065 k = 0.0000 0.0000 1.0138 ( 6682 PWs) bands (ev): -79.8909 -79.8909 -79.8905 -79.8905 -45.5814 -45.5814 -45.5813 -45.5813 -43.9143 -43.9143 -43.9140 -43.9140 -43.7619 -43.7619 -43.7614 -43.7614 -22.4126 -22.4126 -5.4555 -5.4555 -4.4435 -4.4435 -4.2297 -4.2297 3.8394 3.8394 5.1538 5.1538 7.1182 7.1182 7.3156 7.3156 9.1878 9.1878 9.5962 9.5962 9.6630 9.6630 9.7786 9.7786 10.0441 10.0441 10.0858 10.0858 10.1013 10.1013 10.9254 10.9254 10.9508 10.9508 11.1738 11.1738 11.3292 11.3292 12.1736 12.1736 12.1907 12.1907 14.0702 14.0702 16.8625 16.8625 k = 0.0000 0.0000 1.0325 ( 6682 PWs) bands (ev): -79.8909 -79.8909 -79.8905 -79.8905 -45.5814 -45.5814 -45.5812 -45.5812 -43.9144 -43.9144 -43.9139 -43.9139 -43.7619 -43.7619 -43.7614 -43.7614 -22.4126 -22.4126 -5.4558 -5.4558 -4.4440 -4.4440 -4.2296 -4.2296 3.8429 3.8429 5.1546 5.1546 7.1134 7.1134 7.3204 7.3204 9.1838 9.1838 9.5967 9.5967 9.6634 9.6634 9.7858 9.7858 10.0396 10.0396 10.0806 10.0806 10.0981 10.0981 10.9361 10.9361 10.9504 10.9504 11.1787 11.1787 11.3173 11.3173 12.1666 12.1666 12.1905 12.1905 14.0568 14.0568 16.9004 16.9004 k = 0.0000 0.0000 1.0513 ( 6684 PWs) bands (ev): -79.8908 -79.8908 -79.8907 -79.8907 -45.5814 -45.5814 -45.5813 -45.5813 -43.9144 -43.9144 -43.9139 -43.9139 -43.7619 -43.7619 -43.7614 -43.7614 -22.4125 -22.4125 -5.4559 -5.4559 -4.4441 -4.4441 -4.2296 -4.2296 3.8441 3.8441 5.1548 5.1548 7.1119 7.1119 7.3221 7.3221 9.1824 9.1824 9.5969 9.5969 9.6628 9.6628 9.7883 9.7883 10.0380 10.0380 10.0787 10.0787 10.0967 10.0967 10.9401 10.9401 10.9498 10.9498 11.1798 11.1798 11.3132 11.3132 12.1648 12.1648 12.1910 12.1910 14.0523 14.0523 16.9140 16.9140 k = 0.0000 0.0000 1.0513 ( 6684 PWs) bands (ev): -79.8908 -79.8908 -79.8907 -79.8907 -45.5814 -45.5814 -45.5813 -45.5813 -43.9144 -43.9144 -43.9139 -43.9139 -43.7619 -43.7619 -43.7614 -43.7614 -22.4125 -22.4125 -5.4559 -5.4559 -4.4441 -4.4441 -4.2296 -4.2296 3.8441 3.8441 5.1548 5.1548 7.1119 7.1119 7.3221 7.3221 9.1824 9.1824 9.5969 9.5969 9.6628 9.6628 9.7883 9.7883 10.0380 10.0380 10.0787 10.0787 10.0967 10.0967 10.9401 10.9401 10.9498 10.9498 11.1798 11.1798 11.3132 11.3132 12.1648 12.1648 12.1910 12.1910 14.0523 14.0523 16.9140 16.9140 k =-0.0081 0.0150 1.0513 ( 6680 PWs) bands (ev): -79.8908 -79.8908 -79.8905 -79.8905 -45.5814 -45.5814 -45.5812 -45.5812 -43.9144 -43.9144 -43.9139 -43.9139 -43.7619 -43.7619 -43.7614 -43.7614 -22.4125 -22.4125 -5.4558 -5.4558 -4.4440 -4.4440 -4.2297 -4.2297 3.8446 3.8446 5.1506 5.1506 7.1161 7.1161 7.3233 7.3233 9.1807 9.1807 9.5962 9.5962 9.6632 9.6632 9.7891 9.7891 10.0374 10.0374 10.0788 10.0788 10.0969 10.0969 10.9372 10.9372 10.9462 10.9462 11.1886 11.1886 11.3141 11.3141 12.1647 12.1647 12.1924 12.1924 14.0526 14.0526 16.9124 16.9124 k =-0.0162 0.0300 1.0513 ( 6678 PWs) bands (ev): -79.8907 -79.8907 -79.8906 -79.8906 -45.5814 -45.5814 -45.5812 -45.5812 -43.9144 -43.9144 -43.9138 -43.9138 -43.7619 -43.7619 -43.7614 -43.7614 -22.4126 -22.4126 -5.4556 -5.4556 -4.4436 -4.4436 -4.2298 -4.2298 3.8461 3.8461 5.1382 5.1382 7.1284 7.1284 7.3268 7.3268 9.1757 9.1757 9.5943 9.5943 9.6627 9.6627 9.7918 9.7918 10.0354 10.0354 10.0790 10.0790 10.0964 10.0964 10.9218 10.9218 10.9437 10.9437 11.2116 11.2116 11.3170 11.3170 12.1648 12.1648 12.1967 12.1967 14.0534 14.0534 16.9078 16.9078 k =-0.0244 0.0451 1.0513 ( 6682 PWs) bands (ev): -79.8908 -79.8908 -79.8906 -79.8906 -45.5815 -45.5815 -45.5812 -45.5812 -43.9145 -43.9145 -43.9138 -43.9138 -43.7619 -43.7619 -43.7614 -43.7614 -22.4127 -22.4127 -5.4552 -5.4552 -4.4430 -4.4430 -4.2299 -4.2299 3.8486 3.8486 5.1179 5.1179 7.1487 7.1487 7.3327 7.3327 9.1673 9.1673 9.5906 9.5906 9.6617 9.6617 9.7961 9.7961 10.0319 10.0319 10.0790 10.0790 10.0954 10.0954 10.8972 10.8972 10.9428 10.9428 11.2440 11.2440 11.3216 11.3216 12.1646 12.1646 12.2050 12.2050 14.0548 14.0548 16.8997 16.8997 k =-0.0325 0.0601 1.0513 ( 6682 PWs) bands (ev): -79.8908 -79.8908 -79.8907 -79.8907 -45.5816 -45.5816 -45.5811 -45.5811 -43.9146 -43.9146 -43.9136 -43.9136 -43.7619 -43.7619 -43.7615 -43.7615 -22.4128 -22.4128 -5.4548 -5.4548 -4.4421 -4.4421 -4.2302 -4.2302 3.8520 3.8520 5.0903 5.0903 7.1763 7.1763 7.3408 7.3408 9.1558 9.1558 9.5860 9.5860 9.6605 9.6605 9.8016 9.8016 10.0269 10.0269 10.0797 10.0797 10.0943 10.0943 10.8692 10.8692 10.9417 10.9417 11.2822 11.2822 11.3294 11.3294 12.1645 12.1645 12.2164 12.2164 14.0567 14.0567 16.8888 16.8888 k =-0.0406 0.0751 1.0513 ( 6686 PWs) bands (ev): -79.8909 -79.8909 -79.8907 -79.8907 -45.5817 -45.5817 -45.5810 -45.5810 -43.9148 -43.9148 -43.9134 -43.9134 -43.7619 -43.7619 -43.7616 -43.7616 -22.4130 -22.4130 -5.4541 -5.4541 -4.4410 -4.4410 -4.2305 -4.2305 3.8563 3.8563 5.0561 5.0561 7.2105 7.2105 7.3513 7.3513 9.1414 9.1414 9.5800 9.5800 9.6585 9.6585 9.8089 9.8089 10.0202 10.0202 10.0803 10.0803 10.0927 10.0927 10.8397 10.8397 10.9409 10.9409 11.3197 11.3197 11.3441 11.3441 12.1642 12.1642 12.2312 12.2312 14.0590 14.0590 16.8749 16.8749 k =-0.0487 0.0901 1.0513 ( 6680 PWs) bands (ev): -79.8908 -79.8908 -79.8906 -79.8906 -45.5817 -45.5817 -45.5809 -45.5809 -43.9148 -43.9148 -43.9132 -43.9132 -43.7619 -43.7619 -43.7616 -43.7616 -22.4132 -22.4132 -5.4533 -5.4533 -4.4396 -4.4396 -4.2308 -4.2308 3.8615 3.8615 5.0160 5.0160 7.2503 7.2503 7.3642 7.3642 9.1242 9.1242 9.5730 9.5730 9.6560 9.6560 9.8171 9.8171 10.0122 10.0122 10.0810 10.0810 10.0918 10.0918 10.8111 10.8111 10.9401 10.9401 11.3424 11.3424 11.3800 11.3800 12.1649 12.1649 12.2492 12.2492 14.0620 14.0620 16.8588 16.8588 k =-0.0568 0.1051 1.0513 ( 6684 PWs) bands (ev): -79.8910 -79.8910 -79.8905 -79.8905 -45.5818 -45.5818 -45.5808 -45.5808 -43.9150 -43.9150 -43.9131 -43.9131 -43.7619 -43.7619 -43.7616 -43.7616 -22.4135 -22.4135 -5.4524 -5.4524 -4.4380 -4.4380 -4.2312 -4.2312 3.8675 3.8675 4.9709 4.9709 7.2949 7.2949 7.3793 7.3793 9.1045 9.1045 9.5647 9.5647 9.6524 9.6524 9.8265 9.8265 10.0026 10.0026 10.0797 10.0797 10.0928 10.0928 10.7826 10.7826 10.9387 10.9387 11.3587 11.3587 11.4270 11.4270 12.1645 12.1645 12.2701 12.2701 14.0655 14.0655 16.8398 16.8398 k =-0.0650 0.1201 1.0513 ( 6690 PWs) bands (ev): -79.8911 -79.8911 -79.8906 -79.8906 -45.5820 -45.5820 -45.5807 -45.5807 -43.9152 -43.9152 -43.9128 -43.9128 -43.7619 -43.7619 -43.7618 -43.7618 -22.4138 -22.4138 -5.4514 -5.4514 -4.4361 -4.4361 -4.2317 -4.2317 3.8742 3.8742 4.9214 4.9214 7.3435 7.3435 7.3967 7.3967 9.0824 9.0824 9.5544 9.5544 9.6485 9.6485 9.8371 9.8371 9.9916 9.9916 10.0764 10.0764 10.0954 10.0954 10.7551 10.7551 10.9377 10.9377 11.3762 11.3762 11.4774 11.4774 12.1645 12.1645 12.2944 12.2944 14.0695 14.0695 16.8181 16.8181 k =-0.0731 0.1352 1.0513 ( 6678 PWs) bands (ev): -79.8911 -79.8911 -79.8903 -79.8903 -45.5821 -45.5821 -45.5805 -45.5805 -43.9154 -43.9154 -43.9125 -43.9125 -43.7619 -43.7619 -43.7618 -43.7618 -22.4141 -22.4141 -5.4502 -5.4502 -4.4340 -4.4340 -4.2322 -4.2322 3.8815 3.8815 4.8685 4.8685 7.3953 7.3953 7.4166 7.4166 9.0582 9.0582 9.5433 9.5433 9.6439 9.6439 9.8486 9.8486 9.9798 9.9798 10.0722 10.0722 10.0995 10.0995 10.7303 10.7303 10.9371 10.9371 11.3970 11.3970 11.5307 11.5307 12.1654 12.1654 12.3234 12.3234 14.0741 14.0741 16.7943 16.7943 k =-0.0731 0.1352 1.0513 ( 6678 PWs) bands (ev): -79.8911 -79.8911 -79.8903 -79.8903 -45.5821 -45.5821 -45.5805 -45.5805 -43.9154 -43.9154 -43.9125 -43.9125 -43.7619 -43.7619 -43.7618 -43.7618 -22.4141 -22.4141 -5.4502 -5.4502 -4.4340 -4.4340 -4.2322 -4.2322 3.8815 3.8815 4.8685 4.8685 7.3953 7.3953 7.4166 7.4166 9.0582 9.0582 9.5433 9.5433 9.6439 9.6439 9.8486 9.8486 9.9798 9.9798 10.0722 10.0722 10.0995 10.0995 10.7303 10.7303 10.9371 10.9371 11.3970 11.3970 11.5307 11.5307 12.1654 12.1654 12.3234 12.3234 14.0741 14.0741 16.7943 16.7943 k =-0.0794 0.1468 1.0381 ( 6669 PWs) bands (ev): -79.8910 -79.8910 -79.8901 -79.8901 -45.5821 -45.5821 -45.5803 -45.5803 -43.9156 -43.9156 -43.9122 -43.9122 -43.7618 -43.7618 -43.7618 -43.7618 -22.4144 -22.4144 -5.4492 -5.4492 -4.4321 -4.4321 -4.2327 -4.2327 3.8871 3.8871 4.8256 4.8256 7.4312 7.4312 7.4391 7.4391 9.0389 9.0389 9.5333 9.5333 9.6399 9.6399 9.8574 9.8574 9.9705 9.9705 10.0683 10.0683 10.1048 10.1048 10.7119 10.7119 10.9354 10.9354 11.4159 11.4159 11.5722 11.5722 12.1677 12.1677 12.3483 12.3483 14.0803 14.0803 16.7698 16.7698 k =-0.0856 0.1584 1.0249 ( 6671 PWs) bands (ev): -79.8911 -79.8911 -79.8900 -79.8900 -45.5822 -45.5822 -45.5802 -45.5802 -43.9157 -43.9157 -43.9120 -43.9120 -43.7619 -43.7619 -43.7619 -43.7619 -22.4147 -22.4147 -5.4480 -5.4480 -4.4300 -4.4300 -4.2331 -4.2331 3.8919 3.8919 4.7813 4.7813 7.4467 7.4467 7.4831 7.4831 9.0206 9.0206 9.5216 9.5216 9.6355 9.6355 9.8637 9.8637 9.9608 9.9608 10.0644 10.0644 10.1132 10.1132 10.6944 10.6944 10.9307 10.9307 11.4382 11.4382 11.6131 11.6131 12.1729 12.1729 12.3757 12.3757 14.0910 14.0910 16.7357 16.7357 k =-0.0919 0.1700 1.0117 ( 6673 PWs) bands (ev): -79.8912 -79.8912 -79.8900 -79.8900 -45.5824 -45.5824 -45.5800 -45.5800 -43.9159 -43.9159 -43.9117 -43.9117 -43.7620 -43.7620 -43.7619 -43.7619 -22.4150 -22.4150 -5.4467 -5.4467 -4.4277 -4.4277 -4.2335 -4.2335 3.8960 3.8960 4.7362 4.7362 7.4602 7.4602 7.5298 7.5298 9.0034 9.0034 9.5082 9.5082 9.6308 9.6308 9.8683 9.8683 9.9511 9.9511 10.0605 10.0605 10.1243 10.1243 10.6779 10.6779 10.9257 10.9257 11.4627 11.4627 11.6531 11.6531 12.1810 12.1810 12.4070 12.4070 14.1062 14.1062 16.6931 16.6931 k =-0.0982 0.1816 0.9985 ( 6684 PWs) bands (ev): -79.8913 -79.8913 -79.8903 -79.8903 -45.5826 -45.5826 -45.5799 -45.5799 -43.9162 -43.9162 -43.9114 -43.9114 -43.7621 -43.7621 -43.7619 -43.7619 -22.4154 -22.4154 -5.4453 -5.4453 -4.4252 -4.4252 -4.2338 -4.2338 3.8995 3.8995 4.6904 4.6904 7.4722 7.4722 7.5779 7.5779 8.9876 8.9876 9.4934 9.4934 9.6262 9.6262 9.8711 9.8711 9.9410 9.9410 10.0564 10.0564 10.1376 10.1376 10.6625 10.6625 10.9188 10.9188 11.4889 11.4889 11.6922 11.6922 12.1922 12.1922 12.4414 12.4414 14.1258 14.1258 16.6429 16.6429 k =-0.1045 0.1932 0.9853 ( 6685 PWs) bands (ev): -79.8915 -79.8915 -79.8901 -79.8901 -45.5827 -45.5827 -45.5798 -45.5798 -43.9163 -43.9163 -43.9112 -43.9112 -43.7622 -43.7622 -43.7620 -43.7620 -22.4159 -22.4159 -5.4439 -5.4439 -4.4225 -4.4225 -4.2340 -4.2340 3.9024 3.9024 4.6443 4.6443 7.4829 7.4829 7.6272 7.6272 8.9734 8.9734 9.4772 9.4772 9.6214 9.6214 9.8719 9.8719 9.9315 9.9315 10.0526 10.0526 10.1536 10.1536 10.6486 10.6486 10.9116 10.9116 11.5164 11.5164 11.7303 11.7303 12.2090 12.2090 12.4798 12.4798 14.1500 14.1500 16.5872 16.5872 k =-0.1107 0.2048 0.9721 ( 6685 PWs) bands (ev): -79.8916 -79.8916 -79.8900 -79.8900 -45.5828 -45.5828 -45.5797 -45.5797 -43.9165 -43.9165 -43.9110 -43.9110 -43.7622 -43.7622 -43.7620 -43.7620 -22.4163 -22.4163 -5.4423 -5.4423 -4.4197 -4.4197 -4.2341 -4.2341 3.9046 3.9046 4.5982 4.5982 7.4918 7.4918 7.6774 7.6774 8.9610 8.9610 9.4599 9.4599 9.6164 9.6164 9.8703 9.8703 9.9233 9.9233 10.0487 10.0487 10.1714 10.1714 10.6357 10.6357 10.9043 10.9043 11.5443 11.5443 11.7671 11.7671 12.2304 12.2304 12.5227 12.5227 14.1785 14.1785 16.5267 16.5267 k =-0.1170 0.2165 0.9589 ( 6691 PWs) bands (ev): -79.8918 -79.8918 -79.8900 -79.8900 -45.5829 -45.5829 -45.5796 -45.5796 -43.9166 -43.9166 -43.9107 -43.9107 -43.7623 -43.7623 -43.7621 -43.7621 -22.4168 -22.4168 -5.4407 -5.4407 -4.4168 -4.4168 -4.2340 -4.2340 3.9062 3.9062 4.5523 4.5523 7.4990 7.4990 7.7283 7.7283 8.9502 8.9502 9.4408 9.4408 9.6110 9.6110 9.8649 9.8649 9.9176 9.9176 10.0449 10.0449 10.1907 10.1907 10.6235 10.6235 10.8961 10.8961 11.5713 11.5713 11.8023 11.8023 12.2572 12.2572 12.5702 12.5702 14.2111 14.2111 16.4630 16.4630 k =-0.1233 0.2281 0.9457 ( 6688 PWs) bands (ev): -79.8919 -79.8919 -79.8899 -79.8899 -45.5830 -45.5830 -45.5795 -45.5795 -43.9168 -43.9168 -43.9105 -43.9105 -43.7624 -43.7624 -43.7621 -43.7621 -22.4173 -22.4173 -5.4391 -5.4391 -4.4139 -4.4139 -4.2337 -4.2337 3.9073 3.9073 4.5068 4.5068 7.5042 7.5042 7.7795 7.7795 8.9415 8.9415 9.4209 9.4209 9.6060 9.6060 9.8557 9.8557 9.9150 9.9150 10.0421 10.0421 10.2118 10.2118 10.6132 10.6132 10.8876 10.8876 11.5980 11.5980 11.8364 11.8364 12.2886 12.2886 12.6222 12.6222 14.2479 14.2479 16.3976 16.3976 k =-0.1296 0.2397 0.9325 ( 6689 PWs) bands (ev): -79.8918 -79.8918 -79.8900 -79.8900 -45.5831 -45.5831 -45.5793 -45.5793 -43.9169 -43.9169 -43.9102 -43.9102 -43.7625 -43.7625 -43.7621 -43.7621 -22.4179 -22.4179 -5.4375 -5.4375 -4.4110 -4.4110 -4.2332 -4.2332 3.9079 3.9079 4.4619 4.4619 7.5072 7.5072 7.8308 7.8308 8.9345 8.9345 9.4001 9.4001 9.6006 9.6006 9.8430 9.8430 9.9157 9.9157 10.0387 10.0387 10.2337 10.2337 10.6038 10.6038 10.8792 10.8792 11.6240 11.6240 11.8689 11.8689 12.3243 12.3243 12.6791 12.6791 14.2883 14.2883 16.3316 16.3316 k =-0.1359 0.2513 0.9193 ( 6692 PWs) bands (ev): -79.8920 -79.8920 -79.8899 -79.8899 -45.5832 -45.5832 -45.5792 -45.5792 -43.9171 -43.9171 -43.9100 -43.9100 -43.7626 -43.7626 -43.7622 -43.7622 -22.4184 -22.4184 -5.4359 -5.4359 -4.4081 -4.4081 -4.2325 -4.2325 3.9080 3.9080 4.4178 4.4178 7.5084 7.5084 7.8820 7.8820 8.9294 8.9294 9.3786 9.3786 9.5946 9.5946 9.8282 9.8282 9.9184 9.9184 10.0351 10.0351 10.2566 10.2566 10.5951 10.5951 10.8699 10.8699 11.6493 11.6493 11.8999 11.8999 12.3652 12.3652 12.7410 12.7410 14.3327 14.3327 16.2663 16.2663 k =-0.1421 0.2629 0.9061 ( 6692 PWs) bands (ev): -79.8920 -79.8920 -79.8900 -79.8900 -45.5833 -45.5833 -45.5791 -45.5791 -43.9172 -43.9172 -43.9097 -43.9097 -43.7627 -43.7627 -43.7622 -43.7622 -22.4190 -22.4190 -5.4343 -5.4343 -4.4053 -4.4053 -4.2314 -4.2314 3.9076 3.9076 4.3746 4.3746 7.5075 7.5075 7.9332 7.9332 8.9259 8.9259 9.3568 9.3568 9.5882 9.5882 9.8124 9.8124 9.9233 9.9233 10.0316 10.0316 10.2799 10.2799 10.5875 10.5875 10.8602 10.8602 11.6743 11.6743 11.9295 11.9295 12.4091 12.4091 12.8081 12.8081 14.3808 14.3808 16.2025 16.2025 k =-0.1484 0.2745 0.8929 ( 6690 PWs) bands (ev): -79.8919 -79.8919 -79.8900 -79.8900 -45.5834 -45.5834 -45.5790 -45.5790 -43.9173 -43.9173 -43.9094 -43.9094 -43.7629 -43.7629 -43.7622 -43.7622 -22.4196 -22.4196 -5.4327 -5.4327 -4.4026 -4.4026 -4.2300 -4.2300 3.9068 3.9068 4.3326 4.3326 7.5048 7.5048 7.9841 7.9841 8.9240 8.9240 9.3350 9.3350 9.5807 9.5807 9.7966 9.7966 9.9293 9.9293 10.0285 10.0285 10.3032 10.3032 10.5804 10.5804 10.8495 10.8495 11.6995 11.6995 11.9576 11.9576 12.4568 12.4568 12.8808 12.8808 14.4328 14.4328 16.1410 16.1410 k =-0.1547 0.2861 0.8797 ( 6692 PWs) bands (ev): -79.8921 -79.8921 -79.8899 -79.8899 -45.5835 -45.5835 -45.5789 -45.5789 -43.9174 -43.9174 -43.9092 -43.9092 -43.7630 -43.7630 -43.7623 -43.7623 -22.4202 -22.4202 -5.4312 -5.4312 -4.4001 -4.4001 -4.2283 -4.2283 3.9056 3.9056 4.2917 4.2917 7.5002 7.5002 8.0344 8.0344 8.9236 8.9236 9.3133 9.3133 9.5719 9.5719 9.7809 9.7809 9.9366 9.9366 10.0250 10.0250 10.3265 10.3265 10.5741 10.5741 10.8382 10.8382 11.7250 11.7250 11.9843 11.9843 12.5072 12.5072 12.9582 12.9582 14.4881 14.4881 16.0826 16.0826 k =-0.1610 0.2977 0.8665 ( 6696 PWs) bands (ev): -79.8920 -79.8920 -79.8901 -79.8901 -45.5836 -45.5836 -45.5787 -45.5787 -43.9176 -43.9176 -43.9090 -43.9090 -43.7631 -43.7631 -43.7623 -43.7623 -22.4208 -22.4208 -5.4297 -5.4297 -4.3979 -4.3979 -4.2262 -4.2262 3.9040 3.9040 4.2521 4.2521 7.4938 7.4938 8.0840 8.0840 8.9242 8.9242 9.2919 9.2919 9.5615 9.5615 9.7662 9.7662 9.9449 9.9449 10.0217 10.0217 10.3491 10.3491 10.5683 10.5683 10.8263 10.8263 11.7516 11.7516 12.0095 12.0095 12.5588 12.5588 13.0408 13.0408 14.5467 14.5467 16.0278 16.0278 k =-0.1673 0.3093 0.8533 ( 6693 PWs) bands (ev): -79.8920 -79.8920 -79.8901 -79.8901 -45.5837 -45.5837 -45.5786 -45.5786 -43.9176 -43.9176 -43.9087 -43.9087 -43.7632 -43.7632 -43.7623 -43.7623 -22.4214 -22.4214 -5.4283 -5.4283 -4.3958 -4.3958 -4.2238 -4.2238 3.9022 3.9022 4.2140 4.2140 7.4860 7.4860 8.1331 8.1331 8.9259 8.9259 9.2714 9.2714 9.5490 9.5490 9.7535 9.7535 9.9544 9.9544 10.0189 10.0189 10.3711 10.3711 10.5632 10.5632 10.8134 10.8134 11.7799 11.7799 12.0335 12.0335 12.6116 12.6116 13.1284 13.1284 14.6089 14.6089 15.9768 15.9768 k =-0.1735 0.3210 0.8401 ( 6699 PWs) bands (ev): -79.8922 -79.8922 -79.8900 -79.8900 -45.5838 -45.5838 -45.5785 -45.5785 -43.9177 -43.9177 -43.9086 -43.9086 -43.7633 -43.7633 -43.7624 -43.7624 -22.4220 -22.4220 -5.4270 -5.4270 -4.3940 -4.3940 -4.2210 -4.2210 3.9001 3.9001 4.1773 4.1773 7.4767 7.4767 8.1813 8.1813 8.9283 8.9283 9.2516 9.2516 9.5343 9.5343 9.7421 9.7421 9.9641 9.9641 10.0162 10.0162 10.3916 10.3916 10.5586 10.5586 10.7992 10.7992 11.8099 11.8099 12.0565 12.0565 12.6644 12.6644 13.2204 13.2204 14.6739 14.6739 15.9293 15.9293 k =-0.1798 0.3326 0.8269 ( 6697 PWs) bands (ev): -79.8922 -79.8922 -79.8900 -79.8900 -45.5838 -45.5838 -45.5784 -45.5784 -43.9178 -43.9178 -43.9083 -43.9083 -43.7634 -43.7634 -43.7624 -43.7624 -22.4225 -22.4225 -5.4257 -5.4257 -4.3925 -4.3925 -4.2179 -4.2179 3.8977 3.8977 4.1423 4.1423 7.4664 7.4664 8.2287 8.2287 8.9313 8.9313 9.2331 9.2331 9.5174 9.5174 9.7335 9.7335 9.9735 9.9735 10.0154 10.0154 10.4106 10.4106 10.5552 10.5552 10.7844 10.7844 11.8426 11.8426 12.0782 12.0782 12.7162 12.7162 13.3171 13.3171 14.7422 14.7422 15.8849 15.8849 k =-0.1861 0.3442 0.8137 ( 6707 PWs) bands (ev): -79.8925 -79.8925 -79.8901 -79.8901 -45.5839 -45.5839 -45.5784 -45.5784 -43.9179 -43.9179 -43.9082 -43.9082 -43.7635 -43.7635 -43.7625 -43.7625 -22.4231 -22.4231 -5.4245 -5.4245 -4.3912 -4.3912 -4.2146 -4.2146 3.8952 3.8952 4.1090 4.1090 7.4550 7.4550 8.2748 8.2748 8.9345 8.9345 9.2159 9.2159 9.4981 9.4981 9.7264 9.7264 9.9801 9.9801 10.0177 10.0177 10.4271 10.4271 10.5525 10.5525 10.7682 10.7682 11.8778 11.8778 12.0986 12.0986 12.7661 12.7661 13.4173 13.4173 14.8132 14.8132 15.8421 15.8421 k =-0.1924 0.3558 0.8005 ( 6701 PWs) bands (ev): -79.8923 -79.8923 -79.8901 -79.8901 -45.5840 -45.5840 -45.5782 -45.5782 -43.9180 -43.9180 -43.9080 -43.9080 -43.7636 -43.7636 -43.7625 -43.7625 -22.4237 -22.4237 -5.4234 -5.4234 -4.3902 -4.3902 -4.2110 -4.2110 3.8926 3.8926 4.0775 4.0775 7.4429 7.4429 8.3204 8.3204 8.9378 8.9378 9.2002 9.2002 9.4772 9.4772 9.7222 9.7222 9.9827 9.9827 10.0260 10.0260 10.4414 10.4414 10.5518 10.5518 10.7510 10.7510 11.9161 11.9161 12.1182 12.1182 12.8131 12.8131 13.5224 13.5224 14.8874 14.8874 15.7992 15.7992 k =-0.1986 0.3674 0.7873 ( 6695 PWs) bands (ev): -79.8920 -79.8920 -79.8901 -79.8901 -45.5841 -45.5841 -45.5781 -45.5781 -43.9181 -43.9181 -43.9077 -43.9077 -43.7637 -43.7637 -43.7625 -43.7625 -22.4242 -22.4242 -5.4224 -5.4224 -4.3894 -4.3894 -4.2072 -4.2072 3.8898 3.8898 4.0477 4.0477 7.4303 7.4303 8.3649 8.3649 8.9408 8.9408 9.1862 9.1862 9.4547 9.4547 9.7200 9.7200 9.9818 9.9818 10.0390 10.0390 10.4522 10.4522 10.5525 10.5525 10.7331 10.7331 11.9577 11.9577 12.1365 12.1365 12.8563 12.8563 13.6311 13.6311 14.9643 14.9643 15.7534 15.7534 k =-0.2049 0.3790 0.7741 ( 6685 PWs) bands (ev): -79.8919 -79.8919 -79.8899 -79.8899 -45.5841 -45.5841 -45.5779 -45.5779 -43.9181 -43.9181 -43.9075 -43.9075 -43.7637 -43.7637 -43.7625 -43.7625 -22.4247 -22.4247 -5.4214 -5.4214 -4.3888 -4.3888 -4.2033 -4.2033 3.8869 3.8869 4.0198 4.0198 7.4175 7.4175 8.4083 8.4083 8.9436 8.9436 9.1742 9.1742 9.4309 9.4309 9.7196 9.7196 9.9784 9.9784 10.0552 10.0552 10.4600 10.4600 10.5552 10.5552 10.7145 10.7145 12.0027 12.0027 12.1541 12.1541 12.8954 12.8954 13.7431 13.7431 15.0437 15.0437 15.7026 15.7026 k =-0.2112 0.3906 0.7609 ( 6687 PWs) bands (ev): -79.8919 -79.8919 -79.8900 -79.8900 -45.5841 -45.5841 -45.5778 -45.5778 -43.9181 -43.9181 -43.9073 -43.9073 -43.7638 -43.7638 -43.7626 -43.7626 -22.4252 -22.4252 -5.4206 -5.4206 -4.3884 -4.3884 -4.1994 -4.1994 3.8840 3.8840 3.9939 3.9939 7.4046 7.4046 8.4504 8.4504 8.9455 8.9455 9.1638 9.1638 9.4058 9.4058 9.7202 9.7202 9.9736 9.9736 10.0730 10.0730 10.4643 10.4643 10.5593 10.5593 10.6943 10.6943 12.0503 12.0503 12.1703 12.1703 12.9291 12.9291 13.8578 13.8578 15.1251 15.1251 15.6461 15.6461 k =-0.2175 0.4022 0.7477 ( 6687 PWs) bands (ev): -79.8919 -79.8919 -79.8900 -79.8900 -45.5842 -45.5842 -45.5778 -45.5778 -43.9182 -43.9182 -43.9071 -43.9071 -43.7639 -43.7639 -43.7626 -43.7626 -22.4257 -22.4257 -5.4198 -5.4198 -4.3882 -4.3882 -4.1954 -4.1954 3.8811 3.8811 3.9700 3.9700 7.3918 7.3918 8.4911 8.4911 8.9467 8.9467 9.1554 9.1554 9.3802 9.3802 9.7218 9.7218 9.9684 9.9684 10.0924 10.0924 10.4660 10.4660 10.5642 10.5642 10.6738 10.6738 12.1007 12.1007 12.1856 12.1856 12.9569 12.9569 13.9749 13.9749 15.2084 15.2084 15.5852 15.5852 k =-0.2238 0.4139 0.7345 ( 6688 PWs) bands (ev): -79.8920 -79.8920 -79.8899 -79.8899 -45.5842 -45.5842 -45.5777 -45.5777 -43.9182 -43.9182 -43.9070 -43.9070 -43.7640 -43.7640 -43.7626 -43.7626 -22.4261 -22.4261 -5.4192 -5.4192 -4.3881 -4.3881 -4.1916 -4.1916 3.8781 3.8781 3.9482 3.9482 7.3794 7.3794 8.5305 8.5305 8.9475 8.9475 9.1485 9.1485 9.3542 9.3542 9.7244 9.7244 9.9627 9.9627 10.1127 10.1127 10.4658 10.4658 10.5692 10.5692 10.6526 10.6526 12.1526 12.1526 12.2007 12.2007 12.9787 12.9787 14.0942 14.0942 15.2931 15.2931 15.5217 15.5217 k =-0.2300 0.4255 0.7213 ( 6691 PWs) bands (ev): -79.8920 -79.8920 -79.8900 -79.8900 -45.5843 -45.5843 -45.5776 -45.5776 -43.9183 -43.9183 -43.9069 -43.9069 -43.7640 -43.7640 -43.7627 -43.7627 -22.4265 -22.4265 -5.4186 -5.4186 -4.3881 -4.3881 -4.1879 -4.1879 3.8750 3.8750 3.9287 3.9287 7.3675 7.3675 8.5685 8.5685 8.9471 8.9471 9.1433 9.1433 9.3281 9.3281 9.7279 9.7279 9.9570 9.9570 10.1340 10.1340 10.4642 10.4642 10.5730 10.5730 10.6317 10.6317 12.1987 12.1987 12.2227 12.2227 12.9929 12.9929 14.2149 14.2149 15.3783 15.3783 15.4580 15.4580 k =-0.2363 0.4371 0.7081 ( 6691 PWs) bands (ev): -79.8922 -79.8922 -79.8898 -79.8898 -45.5843 -45.5843 -45.5776 -45.5776 -43.9183 -43.9183 -43.9068 -43.9068 -43.7640 -43.7640 -43.7627 -43.7627 -22.4269 -22.4269 -5.4180 -5.4180 -4.3882 -4.3882 -4.1844 -4.1844 3.8716 3.8716 3.9116 3.9116 7.3564 7.3564 8.6048 8.6048 8.9463 8.9463 9.1396 9.1396 9.3023 9.3023 9.7316 9.7316 9.9511 9.9511 10.1564 10.1564 10.4620 10.4620 10.5736 10.5736 10.6131 10.6131 12.2183 12.2183 12.2719 12.2719 13.0003 13.0003 14.3360 14.3360 15.3960 15.3960 15.4629 15.4629 k =-0.2426 0.4487 0.6949 ( 6699 PWs) bands (ev): -79.8922 -79.8922 -79.8901 -79.8901 -45.5844 -45.5844 -45.5776 -45.5776 -43.9184 -43.9184 -43.9067 -43.9067 -43.7641 -43.7641 -43.7628 -43.7628 -22.4272 -22.4272 -5.4176 -5.4176 -4.3883 -4.3883 -4.1811 -4.1811 3.8677 3.8677 3.8974 3.8974 7.3461 7.3461 8.6389 8.6389 8.9447 8.9447 9.1368 9.1368 9.2771 9.2771 9.7358 9.7358 9.9452 9.9452 10.1789 10.1789 10.4596 10.4596 10.5648 10.5648 10.6023 10.6023 12.2294 12.2294 12.3288 12.3288 13.0004 13.0004 14.4564 14.4564 15.3376 15.3376 15.5448 15.5448 k =-0.2489 0.4603 0.6817 ( 6697 PWs) bands (ev): -79.8922 -79.8922 -79.8900 -79.8900 -45.5844 -45.5844 -45.5775 -45.5775 -43.9184 -43.9184 -43.9066 -43.9066 -43.7642 -43.7642 -43.7628 -43.7628 -22.4275 -22.4275 -5.4172 -5.4172 -4.3885 -4.3885 -4.1782 -4.1782 3.8626 3.8626 3.8866 3.8866 7.3369 7.3369 8.6709 8.6709 8.9435 8.9435 9.1354 9.1354 9.2530 9.2530 9.7400 9.7400 9.9396 9.9396 10.2021 10.2021 10.4568 10.4568 10.5470 10.5470 10.6006 10.6006 12.2385 12.2385 12.3875 12.3875 12.9941 12.9941 14.5749 14.5749 15.2841 15.2841 15.6213 15.6213 k =-0.2551 0.4719 0.6685 ( 6699 PWs) bands (ev): -79.8923 -79.8923 -79.8900 -79.8900 -45.5844 -45.5844 -45.5775 -45.5775 -43.9184 -43.9184 -43.9065 -43.9065 -43.7642 -43.7642 -43.7628 -43.7628 -22.4278 -22.4278 -5.4169 -5.4169 -4.3886 -4.3886 -4.1756 -4.1756 3.8562 3.8562 3.8795 3.8795 7.3289 7.3289 8.7003 8.7003 8.9420 8.9420 9.1343 9.1343 9.2302 9.2302 9.7439 9.7439 9.9340 9.9340 10.2254 10.2254 10.4545 10.4545 10.5251 10.5251 10.6019 10.6019 12.2461 12.2461 12.4453 12.4453 12.9815 12.9815 14.6895 14.6895 15.2368 15.2368 15.6878 15.6878 k =-0.2614 0.4835 0.6553 ( 6709 PWs) bands (ev): -79.8926 -79.8926 -79.8901 -79.8901 -45.5844 -45.5844 -45.5776 -45.5776 -43.9184 -43.9184 -43.9065 -43.9065 -43.7643 -43.7643 -43.7629 -43.7629 -22.4280 -22.4280 -5.4166 -5.4166 -4.3888 -4.3888 -4.1735 -4.1735 3.8493 3.8493 3.8753 3.8753 7.3221 7.3221 8.7261 8.7261 8.9406 8.9406 9.1337 9.1337 9.2093 9.2093 9.7471 9.7471 9.9291 9.9291 10.2479 10.2479 10.4516 10.4516 10.5026 10.5026 10.6034 10.6034 12.2520 12.2520 12.5011 12.5011 12.9633 12.9633 14.7970 14.7970 15.1967 15.1967 15.7386 15.7386 k =-0.2677 0.4951 0.6421 ( 6711 PWs) bands (ev): -79.8926 -79.8926 -79.8901 -79.8901 -45.5844 -45.5844 -45.5776 -45.5776 -43.9184 -43.9184 -43.9065 -43.9065 -43.7643 -43.7643 -43.7629 -43.7629 -22.4281 -22.4281 -5.4164 -5.4164 -4.3889 -4.3889 -4.1718 -4.1718 3.8432 3.8432 3.8727 3.8727 7.3168 7.3168 8.7478 8.7478 8.9393 8.9393 9.1335 9.1335 9.1917 9.1917 9.7502 9.7502 9.9251 9.9251 10.2695 10.2695 10.4498 10.4498 10.4812 10.4812 10.6048 10.6048 12.2568 12.2568 12.5530 12.5530 12.9412 12.9412 14.8934 14.8934 15.1649 15.1649 15.7694 15.7694 k =-0.2740 0.5068 0.6289 ( 6713 PWs) bands (ev): -79.8928 -79.8928 -79.8899 -79.8899 -45.5844 -45.5844 -45.5776 -45.5776 -43.9184 -43.9184 -43.9065 -43.9065 -43.7643 -43.7643 -43.7630 -43.7630 -22.4283 -22.4283 -5.4163 -5.4163 -4.3890 -4.3890 -4.1705 -4.1705 3.8385 3.8385 3.8712 3.8712 7.3129 7.3129 8.7645 8.7645 8.9386 8.9386 9.1333 9.1333 9.1780 9.1780 9.7526 9.7526 9.9222 9.9222 10.2882 10.2882 10.4480 10.4480 10.4624 10.4624 10.6059 10.6059 12.2603 12.2603 12.5977 12.5977 12.9180 12.9180 14.9721 14.9721 15.1422 15.1422 15.7798 15.7798 k =-0.2803 0.5184 0.6157 ( 6711 PWs) bands (ev): -79.8929 -79.8929 -79.8898 -79.8898 -45.5844 -45.5844 -45.5776 -45.5776 -43.9184 -43.9184 -43.9065 -43.9065 -43.7643 -43.7643 -43.7630 -43.7630 -22.4283 -22.4283 -5.4162 -5.4162 -4.3891 -4.3891 -4.1698 -4.1698 3.8356 3.8356 3.8703 3.8703 7.3106 7.3106 8.7752 8.7752 8.9380 8.9380 9.1332 9.1332 9.1694 9.1694 9.7541 9.7541 9.9206 9.9206 10.3017 10.3017 10.4461 10.4461 10.4499 10.4499 10.6066 10.6066 12.2626 12.2626 12.6296 12.6296 12.8992 12.8992 15.0244 15.0244 15.1293 15.1293 15.7780 15.7780 k =-0.2865 0.5300 0.6025 ( 6719 PWs) bands (ev): -79.8931 -79.8931 -79.8899 -79.8899 -45.5844 -45.5844 -45.5777 -45.5777 -43.9184 -43.9184 -43.9066 -43.9066 -43.7643 -43.7643 -43.7630 -43.7630 -22.4284 -22.4284 -5.4162 -5.4162 -4.3891 -4.3891 -4.1695 -4.1695 3.8347 3.8347 3.8700 3.8700 7.3098 7.3098 8.7789 8.7789 8.9377 8.9377 9.1331 9.1331 9.1659 9.1659 9.7542 9.7542 9.9197 9.9197 10.3064 10.3064 10.4429 10.4429 10.4476 10.4476 10.6067 10.6067 12.2632 12.2632 12.6415 12.6415 12.8915 12.8915 15.0422 15.0422 15.1256 15.1256 15.7753 15.7753 k =-0.2865 0.5300 0.6025 ( 6719 PWs) bands (ev): -79.8931 -79.8931 -79.8899 -79.8899 -45.5844 -45.5844 -45.5777 -45.5777 -43.9184 -43.9184 -43.9066 -43.9066 -43.7643 -43.7643 -43.7630 -43.7630 -22.4284 -22.4284 -5.4162 -5.4162 -4.3891 -4.3891 -4.1695 -4.1695 3.8347 3.8347 3.8700 3.8700 7.3098 7.3098 8.7789 8.7789 8.9377 8.9377 9.1331 9.1331 9.1659 9.1659 9.7542 9.7542 9.9197 9.9197 10.3064 10.3064 10.4429 10.4429 10.4476 10.4476 10.6067 10.6067 12.2632 12.2632 12.6415 12.6415 12.8915 12.8915 15.0422 15.0422 15.1256 15.1256 15.7753 15.7753 k =-0.2803 0.5185 0.5894 ( 6715 PWs) bands (ev): -79.8928 -79.8928 -79.8900 -79.8900 -45.5838 -45.5838 -45.5782 -45.5782 -43.9174 -43.9174 -43.9075 -43.9075 -43.7642 -43.7642 -43.7631 -43.7631 -22.4281 -22.4281 -5.4179 -5.4179 -4.3914 -4.3914 -4.1682 -4.1682 3.8334 3.8334 3.8951 3.8951 7.3062 7.3062 8.7873 8.7873 8.9367 8.9367 9.1109 9.1109 9.1826 9.1826 9.7447 9.7447 9.9552 9.9552 10.2925 10.2925 10.4097 10.4097 10.4388 10.4388 10.6048 10.6048 12.1937 12.1937 12.5845 12.5845 12.9055 12.9055 14.9472 14.9472 15.2157 15.2157 15.7853 15.7853 k =-0.2741 0.5069 0.5763 ( 6707 PWs) bands (ev): -79.8924 -79.8924 -79.8902 -79.8902 -45.5832 -45.5832 -45.5787 -45.5787 -43.9163 -43.9163 -43.9085 -43.9085 -43.7641 -43.7641 -43.7632 -43.7632 -22.4279 -22.4279 -5.4193 -5.4193 -4.3932 -4.3932 -4.1670 -4.1670 3.8001 3.8001 3.9478 3.9478 7.3082 7.3082 8.7969 8.7969 8.9323 8.9323 9.0895 9.0895 9.2001 9.2001 9.7341 9.7341 9.9910 9.9910 10.2787 10.2787 10.3786 10.3786 10.4328 10.4328 10.6051 10.6051 12.1257 12.1257 12.5307 12.5307 12.9205 12.9205 14.8493 14.8493 15.3108 15.3108 15.7943 15.7943 k =-0.2679 0.4954 0.5632 ( 6711 PWs) bands (ev): -79.8922 -79.8922 -79.8905 -79.8905 -45.5826 -45.5826 -45.5794 -45.5794 -43.9154 -43.9154 -43.9096 -43.9096 -43.7640 -43.7640 -43.7633 -43.7633 -22.4278 -22.4278 -5.4204 -5.4204 -4.3945 -4.3945 -4.1660 -4.1660 3.7610 3.7610 4.0018 4.0018 7.3158 7.3158 8.8074 8.8074 8.9239 8.9239 9.0691 9.0691 9.2178 9.2178 9.7214 9.7214 10.0265 10.0265 10.2629 10.2629 10.3516 10.3516 10.4286 10.4286 10.6076 10.6076 12.0588 12.0588 12.4803 12.4803 12.9364 12.9364 14.7506 14.7506 15.4083 15.4083 15.8018 15.8018 k =-0.2616 0.4839 0.5501 ( 6705 PWs) bands (ev): -79.8920 -79.8920 -79.8905 -79.8905 -45.5820 -45.5820 -45.5800 -45.5800 -43.9143 -43.9143 -43.9106 -43.9106 -43.7638 -43.7638 -43.7635 -43.7635 -22.4277 -22.4277 -5.4211 -5.4211 -4.3953 -4.3953 -4.1651 -4.1651 3.7174 3.7174 4.0562 4.0562 7.3287 7.3287 8.8196 8.8196 8.9108 8.9108 9.0498 9.0498 9.2362 9.2362 9.7072 9.7072 10.0624 10.0624 10.2437 10.2437 10.3320 10.3320 10.4276 10.4276 10.6125 10.6125 11.9951 11.9951 12.4327 12.4327 12.9534 12.9534 14.6523 14.6523 15.5077 15.5077 15.8083 15.8083 k =-0.2554 0.4724 0.5370 ( 6705 PWs) bands (ev): -79.8918 -79.8918 -79.8907 -79.8907 -45.5814 -45.5814 -45.5806 -45.5806 -43.9133 -43.9133 -43.9116 -43.9116 -43.7636 -43.7636 -43.7636 -43.7636 -22.4276 -22.4276 -5.4215 -5.4215 -4.3957 -4.3957 -4.1643 -4.1643 3.6696 3.6696 4.1107 4.1107 7.3465 7.3465 8.8324 8.8324 8.8934 8.8934 9.0313 9.0313 9.2550 9.2550 9.6919 9.6919 10.0982 10.0982 10.2191 10.2191 10.3209 10.3209 10.4290 10.4290 10.6198 10.6198 11.9325 11.9325 12.3884 12.3884 12.9715 12.9715 14.5544 14.5544 15.6087 15.6087 15.8145 15.8145 k =-0.2492 0.4609 0.5239 ( 6707 PWs) bands (ev): -79.8916 -79.8916 -79.8909 -79.8909 -45.5812 -45.5812 -45.5808 -45.5808 -43.9126 -43.9126 -43.9123 -43.9123 -43.7638 -43.7638 -43.7635 -43.7635 -22.4276 -22.4276 -5.4215 -5.4215 -4.3957 -4.3957 -4.1638 -4.1638 3.6181 3.6181 4.1650 4.1650 7.3688 7.3688 8.8457 8.8457 8.8721 8.8721 9.0139 9.0139 9.2745 9.2745 9.6757 9.6757 10.1334 10.1334 10.1907 10.1907 10.3179 10.3179 10.4332 10.4332 10.6285 10.6285 11.8719 11.8719 12.3471 12.3471 12.9909 12.9909 14.4571 14.4571 15.7105 15.7105 15.8209 15.8209 k =-0.2429 0.4493 0.5108 ( 6711 PWs) bands (ev): -79.8915 -79.8915 -79.8912 -79.8912 -45.5818 -45.5818 -45.5802 -45.5802 -43.9137 -43.9137 -43.9113 -43.9113 -43.7639 -43.7639 -43.7634 -43.7634 -22.4276 -22.4276 -5.4211 -5.4211 -4.3951 -4.3951 -4.1633 -4.1633 3.5633 3.5633 4.2191 4.2191 7.3952 7.3952 8.8416 8.8416 8.8649 8.8649 8.9975 8.9975 9.2944 9.2944 9.6591 9.6591 10.1517 10.1517 10.1764 10.1764 10.3216 10.3216 10.4390 10.4390 10.6396 10.6396 11.8129 11.8129 12.3087 12.3087 13.0119 13.0119 14.3606 14.3606 15.8096 15.8096 15.8314 15.8314 k =-0.2367 0.4378 0.4977 ( 6713 PWs) bands (ev): -79.8916 -79.8916 -79.8912 -79.8912 -45.5824 -45.5824 -45.5797 -45.5797 -43.9147 -43.9147 -43.9103 -43.9103 -43.7640 -43.7640 -43.7632 -43.7632 -22.4277 -22.4277 -5.4204 -5.4204 -4.3941 -4.3941 -4.1631 -4.1631 3.5056 3.5056 4.2728 4.2728 7.4250 7.4250 8.8127 8.8127 8.8801 8.8801 8.9821 8.9821 9.3148 9.3148 9.6425 9.6425 10.1221 10.1221 10.2083 10.2083 10.3297 10.3297 10.4472 10.4472 10.6526 10.6526 11.7565 11.7565 12.2738 12.2738 13.0343 13.0343 14.2651 14.2651 15.8330 15.8330 15.9186 15.9186 k =-0.2305 0.4263 0.4846 ( 6715 PWs) bands (ev): -79.8916 -79.8916 -79.8913 -79.8913 -45.5830 -45.5830 -45.5790 -45.5790 -43.9158 -43.9158 -43.9092 -43.9092 -43.7642 -43.7642 -43.7631 -43.7631 -22.4279 -22.4279 -5.4192 -5.4192 -4.3927 -4.3927 -4.1630 -4.1630 3.4454 3.4454 4.3259 4.3259 7.4576 7.4576 8.7793 8.7793 8.8972 8.8972 8.9685 8.9685 9.3357 9.3357 9.6259 9.6259 10.0891 10.0891 10.2435 10.2435 10.3437 10.3437 10.4559 10.4559 10.6673 10.6673 11.7012 11.7012 12.2420 12.2420 13.0589 13.0589 14.1703 14.1703 15.8416 15.8416 16.0209 16.0209 k =-0.2242 0.4148 0.4715 ( 6717 PWs) bands (ev): -79.8918 -79.8918 -79.8911 -79.8911 -45.5836 -45.5836 -45.5784 -45.5784 -43.9168 -43.9168 -43.9082 -43.9082 -43.7643 -43.7643 -43.7629 -43.7629 -22.4281 -22.4281 -5.4178 -5.4178 -4.3907 -4.3907 -4.1631 -4.1631 3.3832 3.3832 4.3784 4.3784 7.4924 7.4924 8.7432 8.7432 8.9148 8.9148 8.9563 8.9563 9.3571 9.3571 9.6102 9.6102 10.0549 10.0549 10.2787 10.2787 10.3604 10.3604 10.4670 10.4670 10.6841 10.6841 11.6479 11.6479 12.2135 12.2135 13.0850 13.0850 14.0769 14.0769 15.8513 15.8513 16.1220 16.1220 k =-0.2180 0.4032 0.4584 ( 6715 PWs) bands (ev): -79.8919 -79.8919 -79.8909 -79.8909 -45.5842 -45.5842 -45.5778 -45.5778 -43.9178 -43.9178 -43.9072 -43.9072 -43.7645 -43.7645 -43.7627 -43.7627 -22.4283 -22.4283 -5.4159 -5.4159 -4.3883 -4.3883 -4.1633 -4.1633 3.3192 3.3192 4.4300 4.4300 7.5286 7.5286 8.7051 8.7051 8.9293 8.9293 8.9498 8.9498 9.3790 9.3790 9.5954 9.5954 10.0210 10.0210 10.3139 10.3139 10.3799 10.3799 10.4797 10.4797 10.7024 10.7024 11.5969 11.5969 12.1879 12.1879 13.1131 13.1131 13.9847 13.9847 15.8625 15.8625 16.2194 16.2194 k =-0.2118 0.3917 0.4453 ( 6711 PWs) bands (ev): -79.8920 -79.8920 -79.8908 -79.8908 -45.5848 -45.5848 -45.5772 -45.5772 -43.9188 -43.9188 -43.9061 -43.9061 -43.7646 -43.7646 -43.7626 -43.7626 -22.4286 -22.4286 -5.4138 -5.4138 -4.3854 -4.3854 -4.1637 -4.1637 3.2540 3.2540 4.4805 4.4805 7.5652 7.5652 8.6662 8.6662 8.9276 8.9276 8.9618 8.9618 9.4016 9.4016 9.5817 9.5817 9.9874 9.9874 10.3486 10.3486 10.4028 10.4028 10.4938 10.4938 10.7219 10.7219 11.5479 11.5479 12.1655 12.1655 13.1433 13.1433 13.8940 13.8940 15.8751 15.8751 16.3088 16.3088 k =-0.2056 0.3802 0.4322 ( 6703 PWs) bands (ev): -79.8921 -79.8921 -79.8903 -79.8903 -45.5853 -45.5853 -45.5766 -45.5766 -43.9198 -43.9198 -43.9051 -43.9051 -43.7647 -43.7647 -43.7624 -43.7624 -22.4289 -22.4289 -5.4113 -5.4113 -4.3821 -4.3821 -4.1642 -4.1642 3.1877 3.1877 4.5299 4.5299 7.6014 7.6014 8.6274 8.6274 8.9193 8.9193 8.9822 8.9822 9.4245 9.4245 9.5698 9.5698 9.9536 9.9536 10.3825 10.3825 10.4282 10.4282 10.5094 10.5094 10.7435 10.7435 11.5010 11.5010 12.1463 12.1463 13.1755 13.1755 13.8045 13.8045 15.8900 15.8900 16.3812 16.3812 k =-0.1993 0.3687 0.4191 ( 6703 PWs) bands (ev): -79.8923 -79.8923 -79.8902 -79.8902 -45.5859 -45.5859 -45.5760 -45.5760 -43.9208 -43.9208 -43.9041 -43.9041 -43.7648 -43.7648 -43.7623 -43.7623 -22.4293 -22.4293 -5.4086 -5.4086 -4.3784 -4.3784 -4.1649 -4.1649 3.1208 3.1208 4.5781 4.5781 7.6361 7.6361 8.5901 8.5901 8.9109 8.9109 9.0046 9.0046 9.4474 9.4474 9.5595 9.5595 9.9202 9.9202 10.4147 10.4147 10.4560 10.4560 10.5258 10.5258 10.7660 10.7660 11.4556 11.4556 12.1304 12.1304 13.2097 13.2097 13.7161 13.7161 15.9065 15.9065 16.4187 16.4187 k =-0.1931 0.3572 0.4060 ( 6719 PWs) bands (ev): -79.8929 -79.8929 -79.8902 -79.8902 -45.5865 -45.5865 -45.5756 -45.5756 -43.9218 -43.9218 -43.9032 -43.9032 -43.7650 -43.7650 -43.7622 -43.7622 -22.4297 -22.4297 -5.4055 -5.4055 -4.3741 -4.3741 -4.1657 -4.1657 3.0535 3.0535 4.6247 4.6247 7.6677 7.6677 8.5553 8.5553 8.9029 8.9029 9.0280 9.0280 9.4702 9.4702 9.5513 9.5513 9.8863 9.8863 10.4456 10.4456 10.4850 10.4850 10.5431 10.5431 10.7886 10.7886 11.4117 11.4117 12.1173 12.1173 13.2459 13.2459 13.6290 13.6290 15.9248 15.9248 16.4061 16.4061 k =-0.1869 0.3456 0.3929 ( 6711 PWs) bands (ev): -79.8929 -79.8929 -79.8899 -79.8899 -45.5870 -45.5870 -45.5750 -45.5750 -43.9227 -43.9227 -43.9022 -43.9022 -43.7651 -43.7651 -43.7621 -43.7621 -22.4301 -22.4301 -5.4023 -5.4023 -4.3695 -4.3695 -4.1666 -4.1666 2.9862 2.9862 4.6697 4.6697 7.6950 7.6950 8.5249 8.5249 8.8963 8.8963 9.0522 9.0522 9.4929 9.4929 9.5462 9.5462 9.8536 9.8536 10.4761 10.4761 10.5163 10.5163 10.5622 10.5622 10.8128 10.8128 11.3714 11.3714 12.1081 12.1081 13.2844 13.2844 13.5437 13.5437 15.9453 15.9453 16.3516 16.3516 k =-0.1806 0.3341 0.3798 ( 6709 PWs) bands (ev): -79.8931 -79.8931 -79.8896 -79.8896 -45.5876 -45.5876 -45.5744 -45.5744 -43.9236 -43.9236 -43.9013 -43.9013 -43.7652 -43.7652 -43.7620 -43.7620 -22.4306 -22.4306 -5.3988 -5.3988 -4.3644 -4.3644 -4.1677 -4.1677 2.9191 2.9191 4.7131 4.7131 7.7164 7.7164 8.5004 8.5004 8.8905 8.8905 9.0769 9.0769 9.5135 9.5135 9.5456 9.5456 9.8213 9.8213 10.5055 10.5055 10.5465 10.5465 10.5834 10.5834 10.8372 10.8372 11.3336 11.3336 12.1024 12.1024 13.3250 13.3250 13.4591 13.4591 15.9683 15.9683 16.2735 16.2735 k =-0.1744 0.3226 0.3667 ( 6691 PWs) bands (ev): -79.8927 -79.8927 -79.8893 -79.8893 -45.5881 -45.5881 -45.5737 -45.5737 -43.9245 -43.9245 -43.9002 -43.9002 -43.7653 -43.7653 -43.7618 -43.7618 -22.4311 -22.4311 -5.3951 -5.3951 -4.3589 -4.3589 -4.1688 -4.1688 2.8525 2.8525 4.7547 4.7547 7.7304 7.7304 8.4832 8.4832 8.8862 8.8862 9.1018 9.1018 9.5279 9.5279 9.5545 9.5545 9.7904 9.7904 10.5350 10.5350 10.5757 10.5757 10.6075 10.6075 10.8622 10.8622 11.2990 11.2990 12.1005 12.1005 13.3638 13.3638 13.3809 13.3809 15.9930 15.9930 16.1836 16.1836 k =-0.1682 0.3111 0.3536 ( 6689 PWs) bands (ev): -79.8930 -79.8930 -79.8891 -79.8891 -45.5886 -45.5886 -45.5732 -45.5732 -43.9253 -43.9253 -43.8993 -43.8993 -43.7654 -43.7654 -43.7617 -43.7617 -22.4316 -22.4316 -5.3913 -5.3913 -4.3530 -4.3530 -4.1701 -4.1701 2.7864 2.7864 4.7943 4.7943 7.7358 7.7358 8.4745 8.4745 8.8823 8.8823 9.1267 9.1267 9.5350 9.5350 9.5735 9.5735 9.7591 9.7591 10.5632 10.5632 10.6008 10.6008 10.6352 10.6352 10.8865 10.8865 11.2664 11.2664 12.1025 12.1025 13.2942 13.2942 13.4143 13.4143 16.0196 16.0196 16.0882 16.0882 k =-0.1620 0.2996 0.3405 ( 6685 PWs) bands (ev): -79.8933 -79.8933 -79.8886 -79.8886 -45.5890 -45.5890 -45.5727 -45.5727 -43.9261 -43.9261 -43.8984 -43.8984 -43.7655 -43.7655 -43.7615 -43.7615 -22.4322 -22.4322 -5.3874 -5.3874 -4.3468 -4.3468 -4.1714 -4.1714 2.7212 2.7212 4.8320 4.8320 7.7323 7.7323 8.4748 8.4748 8.8792 8.8792 9.1513 9.1513 9.5423 9.5423 9.5955 9.5955 9.7286 9.7286 10.5902 10.5902 10.6234 10.6234 10.6658 10.6658 10.9102 10.9102 11.2373 11.2373 12.1084 12.1084 13.2145 13.2145 13.4615 13.4615 15.9873 15.9873 16.0516 16.0516 k =-0.1557 0.2880 0.3274 ( 6687 PWs) bands (ev): -79.8934 -79.8934 -79.8886 -79.8886 -45.5895 -45.5895 -45.5722 -45.5722 -43.9270 -43.9270 -43.8975 -43.8975 -43.7656 -43.7656 -43.7614 -43.7614 -22.4327 -22.4327 -5.3833 -5.3833 -4.3402 -4.3402 -4.1728 -4.1728 2.6571 2.6571 4.8677 4.8677 7.7199 7.7199 8.4835 8.4835 8.8772 8.8772 9.1747 9.1747 9.5518 9.5518 9.6168 9.6168 9.7002 9.7002 10.6152 10.6152 10.6457 10.6457 10.6976 10.6976 10.9331 10.9331 11.2116 11.2116 12.1185 12.1185 13.1353 13.1353 13.5109 13.5109 15.8887 15.8887 16.0823 16.0823 k =-0.1495 0.2765 0.3143 ( 6695 PWs) bands (ev): -79.8939 -79.8939 -79.8884 -79.8884 -45.5900 -45.5900 -45.5718 -45.5718 -43.9278 -43.9278 -43.8967 -43.8967 -43.7657 -43.7657 -43.7614 -43.7614 -22.4333 -22.4333 -5.3792 -5.3792 -4.3332 -4.3332 -4.1743 -4.1743 2.5942 2.5942 4.9011 4.9011 7.6999 7.6999 8.5000 8.5000 8.8759 8.8759 9.1968 9.1968 9.5645 9.5645 9.6322 9.6322 9.6785 9.6785 10.6367 10.6367 10.6688 10.6688 10.7301 10.7301 10.9548 10.9548 11.1888 11.1888 12.1327 12.1327 13.0581 13.0581 13.5628 13.5628 15.7903 15.7903 16.1153 16.1153 k =-0.1433 0.2650 0.3012 ( 6695 PWs) bands (ev): -79.8939 -79.8939 -79.8884 -79.8884 -45.5905 -45.5905 -45.5713 -45.5713 -43.9287 -43.9287 -43.8959 -43.8959 -43.7658 -43.7658 -43.7612 -43.7612 -22.4339 -22.4339 -5.3751 -5.3751 -4.3260 -4.3260 -4.1758 -4.1758 2.5327 2.5327 4.9325 4.9325 7.6736 7.6736 8.5225 8.5225 8.8755 8.8755 9.2173 9.2173 9.5810 9.5810 9.6239 9.6239 9.6814 9.6814 10.6547 10.6547 10.6946 10.6946 10.7631 10.7631 10.9752 10.9752 11.1710 11.1710 12.1514 12.1514 12.9820 12.9820 13.6166 13.6166 15.6937 15.6937 16.1505 16.1505 k =-0.1370 0.2535 0.2881 ( 6699 PWs) bands (ev): -79.8942 -79.8942 -79.8883 -79.8883 -45.5910 -45.5910 -45.5708 -45.5708 -43.9295 -43.9295 -43.8951 -43.8951 -43.7659 -43.7659 -43.7612 -43.7612 -22.4346 -22.4346 -5.3710 -5.3710 -4.3186 -4.3186 -4.1773 -4.1773 2.4728 2.4728 4.9618 4.9618 7.6424 7.6424 8.5497 8.5497 8.8760 8.8760 9.2359 9.2359 9.5970 9.5970 9.6038 9.6038 9.7006 9.7006 10.6694 10.6694 10.7205 10.7205 10.7955 10.7955 10.9941 10.9941 11.1576 11.1576 12.1742 12.1742 12.9074 12.9074 13.6725 13.6725 15.6000 15.6000 16.1877 16.1877 k =-0.1308 0.2419 0.2750 ( 6691 PWs) bands (ev): -79.8943 -79.8943 -79.8879 -79.8879 -45.5914 -45.5914 -45.5704 -45.5704 -43.9302 -43.9302 -43.8943 -43.8943 -43.7659 -43.7659 -43.7611 -43.7611 -22.4352 -22.4352 -5.3669 -5.3669 -4.3109 -4.3109 -4.1789 -4.1789 2.4145 2.4145 4.9890 4.9890 7.6079 7.6079 8.5805 8.5805 8.8777 8.8777 9.2527 9.2527 9.5721 9.5721 9.6257 9.6257 9.7233 9.7233 10.6818 10.6818 10.7470 10.7470 10.8282 10.8282 11.0117 11.0117 11.1494 11.1494 12.2013 12.2013 12.8346 12.8346 13.7306 13.7306 15.5098 15.5098 16.2270 16.2270 k =-0.1246 0.2304 0.2620 ( 6699 PWs) bands (ev): -79.8944 -79.8944 -79.8880 -79.8880 -45.5919 -45.5919 -45.5700 -45.5700 -43.9310 -43.9310 -43.8935 -43.8935 -43.7661 -43.7661 -43.7610 -43.7610 -22.4358 -22.4358 -5.3628 -5.3628 -4.3030 -4.3030 -4.1804 -4.1804 2.3581 2.3581 5.0140 5.0140 7.5711 7.5711 8.6131 8.6131 8.8800 8.8800 9.2670 9.2670 9.5448 9.5448 9.6522 9.6522 9.7464 9.7464 10.6908 10.6908 10.7733 10.7733 10.8602 10.8602 11.0274 11.0274 11.1459 11.1459 12.2322 12.2322 12.7626 12.7626 13.7904 13.7904 15.4237 15.4237 16.2668 16.2668 k =-0.1184 0.2189 0.2489 ( 6693 PWs) bands (ev): -79.8945 -79.8945 -79.8878 -79.8878 -45.5923 -45.5923 -45.5695 -45.5695 -43.9317 -43.9317 -43.8928 -43.8928 -43.7661 -43.7661 -43.7608 -43.7608 -22.4364 -22.4364 -5.3589 -5.3589 -4.2951 -4.2951 -4.1819 -4.1819 2.3036 2.3036 5.0370 5.0370 7.5331 7.5331 8.6468 8.6468 8.8832 8.8832 9.2805 9.2805 9.5177 9.5177 9.6816 9.6816 9.7699 9.7699 10.6982 10.6982 10.7983 10.7983 10.8924 10.8924 11.0419 11.0419 11.1482 11.1482 12.2666 12.2666 12.6929 12.6929 13.8519 13.8519 15.3423 15.3423 16.3091 16.3091 k =-0.1121 0.2074 0.2358 ( 6685 PWs) bands (ev): -79.8946 -79.8946 -79.8874 -79.8874 -45.5926 -45.5926 -45.5691 -45.5691 -43.9323 -43.9323 -43.8921 -43.8921 -43.7662 -43.7662 -43.7607 -43.7607 -22.4371 -22.4371 -5.3550 -5.3550 -4.2871 -4.2871 -4.1834 -4.1834 2.2512 2.2512 5.0582 5.0582 7.4945 7.4945 8.6812 8.6812 8.8871 8.8871 9.2923 9.2923 9.4910 9.4910 9.7127 9.7127 9.7930 9.7930 10.7035 10.7035 10.8235 10.8235 10.9239 10.9239 11.0554 11.0554 11.1549 11.1549 12.3044 12.3044 12.6247 12.6247 13.9150 13.9150 15.2661 15.2661 16.3525 16.3525 k =-0.1059 0.1959 0.2227 ( 6673 PWs) bands (ev): -79.8947 -79.8947 -79.8870 -79.8870 -45.5929 -45.5929 -45.5687 -45.5687 -43.9329 -43.9329 -43.8914 -43.8914 -43.7662 -43.7662 -43.7606 -43.7606 -22.4377 -22.4377 -5.3513 -5.3513 -4.2791 -4.2791 -4.1848 -4.1848 2.2010 2.2010 5.0774 5.0774 7.4560 7.4560 8.7156 8.7156 8.8918 8.8918 9.3030 9.3030 9.4650 9.4650 9.7450 9.7450 9.8154 9.8154 10.7074 10.7074 10.8482 10.8482 10.9542 10.9542 11.0684 11.0684 11.1664 11.1664 12.3448 12.3448 12.5575 12.5575 13.9796 13.9796 15.1958 15.1958 16.3973 16.3973 k =-0.0997 0.1843 0.2096 ( 6671 PWs) bands (ev): -79.8949 -79.8949 -79.8867 -79.8867 -45.5932 -45.5932 -45.5684 -45.5684 -43.9334 -43.9334 -43.8908 -43.8908 -43.7662 -43.7662 -43.7606 -43.7606 -22.4383 -22.4383 -5.3477 -5.3477 -4.2712 -4.2712 -4.1862 -4.1862 2.1531 2.1531 5.0948 5.0948 7.4181 7.4181 8.7491 8.7491 8.8973 8.8973 9.3123 9.3123 9.4395 9.4395 9.7775 9.7775 9.8373 9.8373 10.7095 10.7095 10.8716 10.8716 10.9830 10.9830 11.0814 11.0814 11.1807 11.1807 12.3866 12.3866 12.4923 12.4923 14.0453 14.0453 15.1313 15.1313 16.4418 16.4418 k =-0.0934 0.1728 0.1965 ( 6671 PWs) bands (ev): -79.8949 -79.8949 -79.8867 -79.8867 -45.5936 -45.5936 -45.5680 -45.5680 -43.9341 -43.9341 -43.8902 -43.8902 -43.7663 -43.7663 -43.7605 -43.7605 -22.4389 -22.4389 -5.3442 -5.3442 -4.2634 -4.2634 -4.1874 -4.1874 2.1075 2.1075 5.1104 5.1104 7.3811 7.3811 8.7811 8.7811 8.9036 8.9036 9.3203 9.3203 9.4148 9.4148 9.8094 9.8094 9.8586 9.8586 10.7110 10.7110 10.8940 10.8940 11.0092 11.0092 11.0955 11.0955 11.1998 11.1998 12.4167 12.4167 12.4412 12.4412 14.1120 14.1120 15.0729 15.0729 16.4851 16.4851 k =-0.0872 0.1613 0.1834 ( 6677 PWs) bands (ev): -79.8952 -79.8952 -79.8866 -79.8866 -45.5939 -45.5939 -45.5677 -45.5677 -43.9346 -43.9346 -43.8897 -43.8897 -43.7664 -43.7664 -43.7604 -43.7604 -22.4395 -22.4395 -5.3410 -5.3410 -4.2559 -4.2559 -4.1885 -4.1885 2.0644 2.0644 5.1244 5.1244 7.3455 7.3455 8.8116 8.8116 8.9105 8.9105 9.3271 9.3271 9.3911 9.3911 9.8404 9.8404 9.8792 9.8792 10.7121 10.7121 10.9146 10.9146 11.0313 11.0313 11.1126 11.1126 11.2211 11.2211 12.3619 12.3619 12.4774 12.4774 14.1793 14.1793 15.0210 15.0210 16.5269 16.5269 k =-0.0810 0.1498 0.1703 ( 6673 PWs) bands (ev): -79.8955 -79.8955 -79.8863 -79.8863 -45.5941 -45.5941 -45.5675 -45.5675 -43.9351 -43.9351 -43.8892 -43.8892 -43.7664 -43.7664 -43.7604 -43.7604 -22.4400 -22.4400 -5.3379 -5.3379 -4.2487 -4.2487 -4.1893 -4.1893 2.0239 2.0239 5.1369 5.1369 7.3115 7.3115 8.8406 8.8406 8.9183 8.9183 9.3314 9.3314 9.3699 9.3699 9.8698 9.8698 9.8992 9.8992 10.7139 10.7139 10.9342 10.9342 11.0482 11.0482 11.1343 11.1343 11.2459 11.2459 12.3015 12.3015 12.5212 12.5212 14.2473 14.2473 14.9760 14.9760 16.5653 16.5653 k =-0.0747 0.1383 0.1572 ( 6661 PWs) bands (ev): -79.8954 -79.8954 -79.8859 -79.8859 -45.5943 -45.5943 -45.5672 -45.5672 -43.9354 -43.9354 -43.8887 -43.8887 -43.7664 -43.7664 -43.7603 -43.7603 -22.4405 -22.4405 -5.3350 -5.3350 -4.2419 -4.2419 -4.1899 -4.1899 1.9861 1.9861 5.1479 5.1479 7.2794 7.2794 8.8677 8.8677 8.9269 8.9269 9.3277 9.3277 9.3569 9.3569 9.8972 9.8972 9.9184 9.9184 10.7167 10.7167 10.9530 10.9530 11.0600 11.0600 11.1610 11.1610 11.2737 11.2737 12.2427 12.2427 12.5646 12.5646 14.3149 14.3149 14.9379 14.9379 16.5974 16.5974 k =-0.0685 0.1267 0.1441 ( 6661 PWs) bands (ev): -79.8955 -79.8955 -79.8858 -79.8858 -45.5946 -45.5946 -45.5669 -45.5669 -43.9359 -43.9359 -43.8882 -43.8882 -43.7665 -43.7665 -43.7602 -43.7602 -22.4410 -22.4410 -5.3324 -5.3324 -4.2358 -4.2358 -4.1902 -4.1902 1.9509 1.9509 5.1576 5.1576 7.2492 7.2492 8.8925 8.8925 8.9364 8.9364 9.3117 9.3117 9.3562 9.3562 9.9218 9.9218 9.9364 9.9364 10.7195 10.7195 10.9703 10.9703 11.0677 11.0677 11.1902 11.1902 11.3026 11.3026 12.1841 12.1841 12.6066 12.6066 14.3818 14.3818 14.9067 14.9067 16.6188 16.6188 k =-0.0623 0.1152 0.1310 ( 6661 PWs) bands (ev): -79.8956 -79.8956 -79.8858 -79.8858 -45.5948 -45.5948 -45.5667 -45.5667 -43.9363 -43.9363 -43.8878 -43.8878 -43.7665 -43.7665 -43.7601 -43.7601 -22.4415 -22.4415 -5.3299 -5.3299 -4.2303 -4.2303 -4.1901 -4.1901 1.9186 1.9186 5.1661 5.1661 7.2212 7.2212 8.9148 8.9148 8.9469 8.9469 9.2916 9.2916 9.3598 9.3598 9.9433 9.9433 9.9539 9.9539 10.7229 10.7229 10.9861 10.9861 11.0728 11.0728 11.2217 11.2217 11.3327 11.3327 12.1269 12.1269 12.6464 12.6464 14.4477 14.4477 14.8822 14.8822 16.6237 16.6237 k =-0.0561 0.1037 0.1179 ( 6661 PWs) bands (ev): -79.8957 -79.8957 -79.8857 -79.8857 -45.5950 -45.5950 -45.5664 -45.5664 -43.9366 -43.9366 -43.8874 -43.8874 -43.7666 -43.7666 -43.7601 -43.7601 -22.4419 -22.4419 -5.3277 -5.3277 -4.2257 -4.2257 -4.1894 -4.1894 1.8891 1.8891 5.1735 5.1735 7.1955 7.1955 8.9343 8.9343 8.9587 8.9587 9.2708 9.2708 9.3640 9.3640 9.9613 9.9613 9.9707 9.9707 10.7269 10.7269 11.0012 11.0012 11.0764 11.0764 11.2545 11.2545 11.3631 11.3631 12.0712 12.0712 12.6835 12.6835 14.5117 14.5117 14.8641 14.8641 16.6072 16.6072 k =-0.0498 0.0922 0.1048 ( 6657 PWs) bands (ev): -79.8956 -79.8956 -79.8856 -79.8856 -45.5952 -45.5952 -45.5662 -45.5662 -43.9370 -43.9370 -43.8870 -43.8870 -43.7666 -43.7666 -43.7600 -43.7600 -22.4423 -22.4423 -5.3257 -5.3257 -4.2220 -4.2220 -4.1883 -4.1883 1.8626 1.8626 5.1798 5.1798 7.1722 7.1722 8.9507 8.9507 8.9720 8.9720 9.2509 9.2509 9.3682 9.3682 9.9763 9.9763 9.9867 9.9867 10.7314 10.7314 11.0144 11.0144 11.0789 11.0789 11.2887 11.2887 11.3935 11.3935 12.0170 12.0170 12.7174 12.7174 14.5732 14.5732 14.8520 14.8520 16.5700 16.5700 k =-0.0436 0.0806 0.0917 ( 6653 PWs) bands (ev): -79.8957 -79.8957 -79.8854 -79.8854 -45.5953 -45.5953 -45.5660 -45.5660 -43.9372 -43.9372 -43.8867 -43.8867 -43.7666 -43.7666 -43.7600 -43.7600 -22.4426 -22.4426 -5.3239 -5.3239 -4.2193 -4.2193 -4.1867 -4.1867 1.8390 1.8390 5.1852 5.1852 7.1514 7.1514 8.9647 8.9647 8.9860 8.9860 9.2313 9.2313 9.3724 9.3724 9.9890 9.9890 10.0010 10.0010 10.7364 10.7364 11.0258 11.0258 11.0804 11.0804 11.3237 11.3237 11.4229 11.4229 11.9647 11.9647 12.7476 12.7476 14.6312 14.6312 14.8452 14.8452 16.5194 16.5194 k =-0.0374 0.0691 0.0786 ( 6659 PWs) bands (ev): -79.8956 -79.8956 -79.8857 -79.8857 -45.5956 -45.5956 -45.5659 -45.5659 -43.9376 -43.9376 -43.8864 -43.8864 -43.7667 -43.7667 -43.7600 -43.7600 -22.4429 -22.4429 -5.3224 -5.3224 -4.2173 -4.2173 -4.1847 -4.1847 1.8185 1.8185 5.1896 5.1896 7.1332 7.1332 8.9771 8.9771 8.9995 8.9995 9.2127 9.2127 9.3755 9.3755 9.9997 9.9997 10.0131 10.0131 10.7405 10.7405 11.0361 11.0361 11.0815 11.0815 11.3588 11.3588 11.4505 11.4505 11.9127 11.9127 12.7739 12.7739 14.6847 14.6847 14.8426 14.8426 16.4639 16.4639 k =-0.0311 0.0576 0.0655 ( 6661 PWs) bands (ev): -79.8955 -79.8955 -79.8859 -79.8859 -45.5958 -45.5958 -45.5657 -45.5657 -43.9378 -43.9378 -43.8862 -43.8862 -43.7667 -43.7667 -43.7599 -43.7599 -22.4432 -22.4432 -5.3211 -5.3211 -4.2160 -4.2160 -4.1826 -4.1826 1.8011 1.8011 5.1932 5.1932 7.1179 7.1179 8.9886 8.9886 9.0116 9.0116 9.1952 9.1952 9.3782 9.3782 10.0088 10.0088 10.0234 10.0234 10.7445 10.7445 11.0449 11.0449 11.0823 11.0823 11.3945 11.3945 11.4764 11.4764 11.8627 11.8627 12.7962 12.7962 14.7326 14.7326 14.8433 14.8433 16.4099 16.4099 k =-0.0249 0.0461 0.0524 ( 6659 PWs) bands (ev): -79.8954 -79.8954 -79.8859 -79.8859 -45.5959 -45.5959 -45.5655 -45.5655 -43.9380 -43.9380 -43.8859 -43.8859 -43.7668 -43.7668 -43.7598 -43.7598 -22.4434 -22.4434 -5.3200 -5.3200 -4.2152 -4.2152 -4.1807 -4.1807 1.7868 1.7868 5.1962 5.1962 7.1051 7.1051 8.9990 8.9990 9.0221 9.0221 9.1793 9.1793 9.3808 9.3808 10.0160 10.0160 10.0317 10.0317 10.7485 10.7485 11.0520 11.0520 11.0828 11.0828 11.4307 11.4307 11.4985 11.4985 11.8154 11.8154 12.8143 12.8143 14.7732 14.7732 14.8464 14.8464 16.3616 16.3616 k =-0.0187 0.0346 0.0393 ( 6667 PWs) bands (ev): -79.8956 -79.8956 -79.8860 -79.8860 -45.5960 -45.5960 -45.5655 -45.5655 -43.9382 -43.9382 -43.8858 -43.8858 -43.7668 -43.7668 -43.7598 -43.7598 -22.4436 -22.4436 -5.3192 -5.3192 -4.2147 -4.2147 -4.1790 -4.1790 1.7756 1.7756 5.1984 5.1984 7.0951 7.0951 9.0080 9.0080 9.0307 9.0307 9.1649 9.1649 9.3828 9.3828 10.0215 10.0215 10.0379 10.0379 10.7517 10.7517 11.0566 11.0566 11.0827 11.0827 11.4661 11.4661 11.5164 11.5164 11.7710 11.7710 12.8283 12.8283 14.8055 14.8055 14.8510 14.8510 16.3218 16.3218 k =-0.0125 0.0230 0.0262 ( 6667 PWs) bands (ev): -79.8954 -79.8954 -79.8861 -79.8861 -45.5961 -45.5961 -45.5654 -45.5654 -43.9383 -43.9383 -43.8857 -43.8857 -43.7669 -43.7669 -43.7598 -43.7598 -22.4437 -22.4437 -5.3186 -5.3186 -4.2144 -4.2144 -4.1776 -4.1776 1.7677 1.7677 5.1999 5.1999 7.0880 7.0880 9.0152 9.0152 9.0376 9.0376 9.1537 9.1537 9.3841 9.3841 10.0255 10.0255 10.0425 10.0425 10.7541 10.7541 11.0605 11.0605 11.0829 11.0829 11.4990 11.4990 11.5306 11.5306 11.7309 11.7309 12.8383 12.8383 14.8275 14.8275 14.8571 14.8571 16.2923 16.2923 k =-0.0062 0.0115 0.0131 ( 6655 PWs) bands (ev): -79.8952 -79.8952 -79.8859 -79.8859 -45.5961 -45.5961 -45.5653 -45.5653 -43.9383 -43.9383 -43.8856 -43.8856 -43.7668 -43.7668 -43.7597 -43.7597 -22.4438 -22.4438 -5.3182 -5.3182 -4.2142 -4.2142 -4.1768 -4.1768 1.7629 1.7629 5.2009 5.2009 7.0837 7.0837 9.0202 9.0202 9.0427 9.0427 9.1465 9.1465 9.3850 9.3850 10.0280 10.0280 10.0453 10.0453 10.7561 10.7561 11.0633 11.0633 11.0832 11.0832 11.5235 11.5235 11.5420 11.5420 11.7004 11.7004 12.8443 12.8443 14.8391 14.8391 14.8638 14.8638 16.2745 16.2745 k = 0.0000 0.0000 0.0000 ( 6643 PWs) bands (ev): -79.8952 -79.8952 -79.8855 -79.8855 -45.5960 -45.5960 -45.5653 -45.5653 -43.9383 -43.9383 -43.8856 -43.8856 -43.7668 -43.7668 -43.7597 -43.7597 -22.4438 -22.4438 -5.3181 -5.3181 -4.2142 -4.2142 -4.1765 -4.1765 1.7613 1.7613 5.2012 5.2012 7.0823 7.0823 9.0221 9.0221 9.0447 9.0447 9.1436 9.1436 9.3854 9.3854 10.0287 10.0287 10.0461 10.0461 10.7576 10.7576 11.0640 11.0640 11.0832 11.0832 11.5315 11.5315 11.5486 11.5486 11.6900 11.6900 12.8462 12.8462 14.8424 14.8424 14.8670 14.8670 16.2687 16.2687 k = 0.0000 0.0000 0.0000 ( 6643 PWs) bands (ev): -79.8952 -79.8952 -79.8855 -79.8855 -45.5960 -45.5960 -45.5653 -45.5653 -43.9383 -43.9383 -43.8856 -43.8856 -43.7668 -43.7668 -43.7597 -43.7597 -22.4438 -22.4438 -5.3181 -5.3181 -4.2142 -4.2142 -4.1765 -4.1765 1.7613 1.7613 5.2012 5.2012 7.0823 7.0823 9.0221 9.0221 9.0447 9.0447 9.1436 9.1436 9.3854 9.3854 10.0287 10.0287 10.0461 10.0461 10.7576 10.7576 11.0640 11.0640 11.0832 11.0832 11.5315 11.5315 11.5486 11.5486 11.6900 11.6900 12.8462 12.8462 14.8424 14.8424 14.8670 14.8670 16.2687 16.2687 k = 0.0161 0.0087-0.0000 ( 6651 PWs) bands (ev): -79.8952 -79.8952 -79.8858 -79.8858 -45.5960 -45.5960 -45.5653 -45.5653 -43.9383 -43.9383 -43.8856 -43.8856 -43.7669 -43.7669 -43.7597 -43.7597 -22.4438 -22.4438 -5.3181 -5.3181 -4.2143 -4.2143 -4.1765 -4.1765 1.7628 1.7628 5.1962 5.1962 7.0863 7.0863 9.0214 9.0214 9.0440 9.0440 9.1437 9.1437 9.3847 9.3847 10.0285 10.0285 10.0459 10.0459 10.7553 10.7553 11.0642 11.0642 11.0853 11.0853 11.5322 11.5322 11.5493 11.5493 11.6900 11.6900 12.8486 12.8486 14.8436 14.8436 14.8682 14.8682 16.2697 16.2697 k = 0.0323 0.0174-0.0000 ( 6660 PWs) bands (ev): -79.8953 -79.8953 -79.8861 -79.8861 -45.5961 -45.5961 -45.5653 -45.5653 -43.9384 -43.9384 -43.8855 -43.8855 -43.7669 -43.7669 -43.7598 -43.7598 -22.4438 -22.4438 -5.3182 -5.3182 -4.2146 -4.2146 -4.1765 -4.1765 1.7675 1.7675 5.1813 5.1813 7.0981 7.0981 9.0206 9.0206 9.0434 9.0434 9.1438 9.1438 9.3830 9.3830 10.0278 10.0278 10.0453 10.0453 10.7494 10.7494 11.0645 11.0645 11.0914 11.0914 11.5343 11.5343 11.5515 11.5515 11.6875 11.6875 12.8558 12.8558 14.8486 14.8486 14.8730 14.8730 16.2746 16.2746 k = 0.0484 0.0262-0.0000 ( 6652 PWs) bands (ev): -79.8954 -79.8954 -79.8856 -79.8856 -45.5960 -45.5960 -45.5653 -45.5653 -43.9383 -43.9383 -43.8856 -43.8856 -43.7668 -43.7668 -43.7598 -43.7598 -22.4438 -22.4438 -5.3184 -5.3184 -4.2152 -4.2152 -4.1765 -4.1765 1.7753 1.7753 5.1572 5.1572 7.1172 7.1172 9.0203 9.0203 9.0432 9.0432 9.1440 9.1440 9.3804 9.3804 10.0265 10.0265 10.0442 10.0442 10.7411 10.7411 11.0650 11.0650 11.1013 11.1013 11.5376 11.5376 11.5550 11.5550 11.6882 11.6882 12.8676 12.8676 14.8576 14.8576 14.8818 14.8818 16.2830 16.2830 k = 0.0645 0.0349-0.0000 ( 6672 PWs) bands (ev): -79.8958 -79.8958 -79.8859 -79.8859 -45.5961 -45.5961 -45.5654 -45.5654 -43.9384 -43.9384 -43.8857 -43.8857 -43.7668 -43.7668 -43.7599 -43.7599 -22.4438 -22.4438 -5.3187 -5.3187 -4.2160 -4.2160 -4.1765 -4.1765 1.7862 1.7862 5.1243 5.1243 7.1429 7.1429 9.0183 9.0183 9.0415 9.0415 9.1432 9.1432 9.3765 9.3765 10.0246 10.0246 10.0425 10.0425 10.7294 10.7294 11.0646 11.0646 11.1157 11.1157 11.5420 11.5420 11.5595 11.5595 11.6872 11.6872 12.8838 12.8838 14.8689 14.8689 14.8927 14.8927 16.2944 16.2944 k = 0.0806 0.0436-0.0000 ( 6664 PWs) bands (ev): -79.8958 -79.8958 -79.8857 -79.8857 -45.5960 -45.5960 -45.5654 -45.5654 -43.9383 -43.9383 -43.8857 -43.8857 -43.7668 -43.7668 -43.7599 -43.7599 -22.4438 -22.4438 -5.3191 -5.3191 -4.2170 -4.2170 -4.1765 -4.1765 1.8001 1.8001 5.0838 5.0838 7.1741 7.1741 9.0168 9.0168 9.0404 9.0404 9.1436 9.1436 9.3723 9.3723 10.0225 10.0225 10.0408 10.0408 10.7145 10.7145 11.0654 11.0654 11.1348 11.1348 11.5481 11.5481 11.5659 11.5659 11.6884 11.6884 12.9041 12.9041 14.8842 14.8842 14.9076 14.9076 16.3087 16.3087 k = 0.0968 0.0523-0.0000 ( 6672 PWs) bands (ev): -79.8958 -79.8958 -79.8859 -79.8859 -45.5961 -45.5961 -45.5654 -45.5654 -43.9383 -43.9383 -43.8857 -43.8857 -43.7669 -43.7669 -43.7599 -43.7599 -22.4437 -22.4437 -5.3195 -5.3195 -4.2182 -4.2182 -4.1765 -4.1765 1.8171 1.8171 5.0363 5.0363 7.2096 7.2096 9.0138 9.0138 9.0377 9.0377 9.1440 9.1440 9.3674 9.3674 10.0201 10.0201 10.0387 10.0387 10.6977 10.6977 11.0662 11.0662 11.1581 11.1581 11.5555 11.5555 11.5736 11.5736 11.6879 11.6879 12.9281 12.9281 14.9016 14.9016 14.9244 14.9244 16.3268 16.3268 k = 0.1129 0.0610-0.0000 ( 6680 PWs) bands (ev): -79.8960 -79.8960 -79.8859 -79.8859 -45.5961 -45.5961 -45.5655 -45.5655 -43.9383 -43.9383 -43.8857 -43.8857 -43.7669 -43.7669 -43.7599 -43.7599 -22.4437 -22.4437 -5.3200 -5.3200 -4.2196 -4.2196 -4.1765 -4.1765 1.8371 1.8371 4.9830 4.9830 7.2482 7.2482 9.0109 9.0109 9.0353 9.0353 9.1444 9.1444 9.3624 9.3624 10.0168 10.0168 10.0358 10.0358 10.6789 10.6789 11.0664 11.0664 11.1859 11.1859 11.5635 11.5635 11.5819 11.5819 11.6879 11.6879 12.9554 12.9554 14.9225 14.9225 14.9447 14.9447 16.3483 16.3483 k = 0.1290 0.0698-0.0000 ( 6680 PWs) bands (ev): -79.8960 -79.8960 -79.8859 -79.8859 -45.5961 -45.5961 -45.5655 -45.5655 -43.9384 -43.9384 -43.8857 -43.8857 -43.7668 -43.7668 -43.7599 -43.7599 -22.4437 -22.4437 -5.3205 -5.3205 -4.2211 -4.2211 -4.1765 -4.1765 1.8600 1.8600 4.9246 4.9246 7.2890 7.2890 9.0078 9.0078 9.0326 9.0326 9.1450 9.1450 9.3575 9.3575 10.0136 10.0136 10.0330 10.0330 10.6583 10.6583 11.0673 11.0673 11.2181 11.2181 11.5733 11.5733 11.5919 11.5919 11.6878 11.6878 12.9856 12.9856 14.9464 14.9464 14.9678 14.9678 16.3734 16.3734 k = 0.1452 0.0785-0.0000 ( 6700 PWs) bands (ev): -79.8963 -79.8963 -79.8863 -79.8863 -45.5962 -45.5962 -45.5656 -45.5656 -43.9384 -43.9384 -43.8857 -43.8857 -43.7670 -43.7670 -43.7600 -43.7600 -22.4437 -22.4437 -5.3211 -5.3211 -4.2228 -4.2228 -4.1765 -4.1765 1.8857 1.8857 4.8621 4.8621 7.3304 7.3304 9.0037 9.0037 9.0291 9.0291 9.1455 9.1455 9.3528 9.3528 10.0099 10.0099 10.0298 10.0298 10.6349 10.6349 11.0681 11.0681 11.2537 11.2537 11.5837 11.5837 11.6027 11.6027 11.6877 11.6877 13.0179 13.0179 14.9725 14.9725 14.9931 14.9931 16.4008 16.4008 k = 0.1613 0.0872-0.0000 ( 6700 PWs) bands (ev): -79.8963 -79.8963 -79.8864 -79.8864 -45.5962 -45.5962 -45.5655 -45.5655 -43.9384 -43.9384 -43.8857 -43.8857 -43.7670 -43.7670 -43.7600 -43.7600 -22.4437 -22.4437 -5.3217 -5.3217 -4.2246 -4.2246 -4.1765 -4.1765 1.9143 1.9143 4.7961 4.7961 7.3720 7.3720 8.9999 8.9999 9.0260 9.0260 9.1462 9.1462 9.3490 9.3490 10.0061 10.0061 10.0265 10.0265 10.6118 10.6118 11.0689 11.0689 11.2949 11.2949 11.5955 11.5955 11.6147 11.6147 11.6877 11.6877 13.0524 13.0524 15.0018 15.0018 15.0216 15.0216 16.4331 16.4331 k = 0.1774 0.0959-0.0000 ( 6696 PWs) bands (ev): -79.8964 -79.8964 -79.8861 -79.8861 -45.5961 -45.5961 -45.5656 -45.5656 -43.9384 -43.9384 -43.8857 -43.8857 -43.7669 -43.7669 -43.7601 -43.7601 -22.4436 -22.4436 -5.3224 -5.3224 -4.2265 -4.2265 -4.1765 -4.1765 1.9456 1.9456 4.7274 4.7274 7.4127 7.4127 8.9960 8.9960 9.0227 9.0227 9.1469 9.1469 9.3460 9.3460 10.0020 10.0020 10.0229 10.0229 10.5896 10.5896 11.0697 11.0697 11.3402 11.3402 11.6081 11.6081 11.6274 11.6274 11.6877 11.6877 13.0889 13.0889 15.0338 15.0338 15.0525 15.0525 16.4699 16.4699 k = 0.1935 0.1046-0.0000 ( 6704 PWs) bands (ev): -79.8966 -79.8966 -79.8861 -79.8861 -45.5961 -45.5961 -45.5656 -45.5656 -43.9384 -43.9384 -43.8858 -43.8858 -43.7669 -43.7669 -43.7601 -43.7601 -22.4436 -22.4436 -5.3232 -5.3232 -4.2286 -4.2286 -4.1764 -4.1764 1.9795 1.9795 4.6564 4.6564 7.4518 7.4518 8.9919 8.9919 9.0193 9.0193 9.1475 9.1475 9.3442 9.3442 9.9973 9.9973 10.0188 10.0188 10.5653 10.5653 11.0701 11.0701 11.3904 11.3904 11.6211 11.6211 11.6403 11.6403 11.6877 11.6877 13.1259 13.1259 15.0680 15.0680 15.0856 15.0856 16.5094 16.5094 k = 0.2097 0.1134-0.0000 ( 6696 PWs) bands (ev): -79.8964 -79.8964 -79.8861 -79.8861 -45.5961 -45.5961 -45.5656 -45.5656 -43.9384 -43.9384 -43.8857 -43.8857 -43.7669 -43.7669 -43.7601 -43.7601 -22.4436 -22.4436 -5.3239 -5.3239 -4.2307 -4.2307 -4.1764 -4.1764 2.0161 2.0161 4.5836 4.5836 7.4887 7.4887 8.9877 8.9877 9.0157 9.0157 9.1485 9.1485 9.3440 9.3440 9.9931 9.9931 10.0152 10.0152 10.5408 10.5408 11.0724 11.0724 11.4453 11.4453 11.6360 11.6360 11.6546 11.6546 11.6879 11.6879 13.1634 13.1634 15.1043 15.1043 15.1207 15.1207 16.5481 16.5481 k = 0.2258 0.1221-0.0000 ( 6696 PWs) bands (ev): -79.8963 -79.8963 -79.8861 -79.8861 -45.5961 -45.5961 -45.5656 -45.5656 -43.9384 -43.9384 -43.8857 -43.8857 -43.7669 -43.7669 -43.7601 -43.7601 -22.4435 -22.4435 -5.3247 -5.3247 -4.2328 -4.2328 -4.1764 -4.1764 2.0550 2.0550 4.5095 4.5095 7.5228 7.5228 8.9833 8.9833 9.0121 9.0121 9.1493 9.1493 9.3453 9.3453 9.9887 9.9887 10.0113 10.0113 10.5164 10.5164 11.0730 11.0730 11.5036 11.5036 11.6522 11.6522 11.6691 11.6691 11.6881 11.6881 13.2010 13.2010 15.1425 15.1425 15.1576 15.1576 16.5038 16.5038 k = 0.2419 0.1308-0.0000 ( 6704 PWs) bands (ev): -79.8966 -79.8966 -79.8861 -79.8861 -45.5961 -45.5961 -45.5656 -45.5656 -43.9384 -43.9384 -43.8858 -43.8858 -43.7669 -43.7669 -43.7601 -43.7601 -22.4435 -22.4435 -5.3255 -5.3255 -4.2350 -4.2350 -4.1764 -4.1764 2.0962 2.0962 4.4344 4.4344 7.5538 7.5538 8.9790 8.9790 9.0084 9.0084 9.1491 9.1491 9.3480 9.3480 9.9841 9.9841 10.0072 10.0072 10.4923 10.4923 11.0730 11.0730 11.5636 11.5636 11.6708 11.6708 11.6838 11.6838 11.6891 11.6891 13.2383 13.2383 15.1823 15.1823 15.1961 15.1961 16.4605 16.4605 k = 0.2581 0.1395-0.0000 ( 6704 PWs) bands (ev): -79.8966 -79.8966 -79.8861 -79.8861 -45.5961 -45.5961 -45.5656 -45.5656 -43.9384 -43.9384 -43.8858 -43.8858 -43.7669 -43.7669 -43.7601 -43.7601 -22.4435 -22.4435 -5.3263 -5.3263 -4.2371 -4.2371 -4.1764 -4.1764 2.1397 2.1397 4.3587 4.3587 7.5814 7.5814 8.9747 8.9747 9.0048 9.0048 9.1500 9.1500 9.3523 9.3523 9.9796 9.9796 10.0033 10.0033 10.4688 10.4688 11.0735 11.0735 11.6199 11.6199 11.6858 11.6858 11.6988 11.6988 11.7029 11.7029 13.2749 13.2749 15.2234 15.2234 15.2358 15.2358 16.4161 16.4161 k = 0.2742 0.1482-0.0000 ( 6700 PWs) bands (ev): -79.8964 -79.8964 -79.8861 -79.8861 -45.5961 -45.5961 -45.5656 -45.5656 -43.9383 -43.9383 -43.8857 -43.8857 -43.7669 -43.7669 -43.7600 -43.7600 -22.4434 -22.4434 -5.3271 -5.3271 -4.2393 -4.2393 -4.1763 -4.1763 2.1852 2.1852 4.2828 4.2828 7.6059 7.6059 8.9700 8.9700 9.0009 9.0009 9.1509 9.1509 9.3578 9.3578 9.9756 9.9756 9.9998 9.9998 10.4462 10.4462 11.0741 11.0741 11.6597 11.6597 11.6879 11.6879 11.7144 11.7144 11.7514 11.7514 13.3105 13.3105 15.2653 15.2653 15.2761 15.2761 16.3671 16.3671 k = 0.2903 0.1570-0.0000 ( 6692 PWs) bands (ev): -79.8961 -79.8961 -79.8861 -79.8861 -45.5961 -45.5961 -45.5655 -45.5655 -43.9383 -43.9383 -43.8857 -43.8857 -43.7669 -43.7669 -43.7600 -43.7600 -22.4434 -22.4434 -5.3279 -5.3279 -4.2414 -4.2414 -4.1763 -4.1763 2.2325 2.2325 4.2068 4.2068 7.6268 7.6268 8.9659 8.9659 8.9974 8.9974 9.1522 9.1522 9.3648 9.3648 9.9716 9.9716 9.9962 9.9962 10.4244 10.4244 11.0749 11.0749 11.6805 11.6805 11.6922 11.6922 11.7296 11.7296 11.8215 11.8215 13.3448 13.3448 15.3080 15.3080 15.3173 15.3173 16.3001 16.3001 k = 0.3065 0.1657-0.0000 ( 6700 PWs) bands (ev): -79.8961 -79.8961 -79.8863 -79.8863 -45.5962 -45.5962 -45.5655 -45.5655 -43.9384 -43.9384 -43.8856 -43.8856 -43.7670 -43.7670 -43.7600 -43.7600 -22.4434 -22.4434 -5.3286 -5.3286 -4.2434 -4.2434 -4.1763 -4.1763 2.2816 2.2816 4.1310 4.1310 7.6442 7.6442 8.9613 8.9613 8.9935 8.9935 9.1536 9.1536 9.3719 9.3719 9.9675 9.9675 9.9926 9.9926 10.4034 10.4034 11.0754 11.0754 11.6848 11.6848 11.7058 11.7058 11.7443 11.7443 11.9017 11.9017 13.3772 13.3772 15.3505 15.3505 15.3581 15.3581 16.1949 16.1949 k = 0.3226 0.1744-0.0000 ( 6708 PWs) bands (ev): -79.8958 -79.8958 -79.8869 -79.8869 -45.5963 -45.5963 -45.5654 -45.5654 -43.9385 -43.9385 -43.8856 -43.8856 -43.7671 -43.7671 -43.7599 -43.7599 -22.4434 -22.4434 -5.3294 -5.3294 -4.2454 -4.2454 -4.1763 -4.1763 2.3321 2.3321 4.0559 4.0559 7.6585 7.6585 8.9562 8.9562 8.9891 8.9891 9.1546 9.1546 9.3805 9.3805 9.9639 9.9639 9.9894 9.9894 10.3838 10.3838 11.0758 11.0758 11.6849 11.6849 11.7211 11.7211 11.7589 11.7589 11.9887 11.9887 13.4080 13.4080 15.3920 15.3920 15.3980 15.3980 16.0485 16.0485 k = 0.3387 0.1831-0.0000 ( 6716 PWs) bands (ev): -79.8958 -79.8958 -79.8871 -79.8871 -45.5964 -45.5964 -45.5654 -45.5654 -43.9385 -43.9385 -43.8856 -43.8856 -43.7673 -43.7673 -43.7599 -43.7599 -22.4433 -22.4433 -5.3301 -5.3301 -4.2473 -4.2473 -4.1763 -4.1763 2.3837 2.3837 3.9816 3.9816 7.6703 7.6703 8.9523 8.9523 8.9858 8.9858 9.1553 9.1553 9.3895 9.3895 9.9601 9.9601 9.9859 9.9859 10.3645 10.3645 11.0761 11.0761 11.6852 11.6852 11.7346 11.7346 11.7722 11.7722 12.0801 12.0801 13.4358 13.4358 15.4337 15.4337 15.4380 15.4380 15.8826 15.8826 k = 0.3548 0.1918-0.0000 ( 6724 PWs) bands (ev): -79.8961 -79.8961 -79.8871 -79.8871 -45.5964 -45.5964 -45.5655 -45.5655 -43.9385 -43.9385 -43.8856 -43.8856 -43.7673 -43.7673 -43.7600 -43.7600 -22.4433 -22.4433 -5.3308 -5.3308 -4.2490 -4.2490 -4.1763 -4.1763 2.4362 2.4362 3.9086 3.9086 7.6795 7.6795 8.9489 8.9489 8.9830 8.9830 9.1555 9.1555 9.3987 9.3987 9.9561 9.9561 9.9823 9.9823 10.3477 10.3477 11.0759 11.0759 11.6853 11.6853 11.7466 11.7466 11.7843 11.7843 12.1747 12.1747 13.4622 13.4622 15.4743 15.4743 15.4771 15.4771 15.7122 15.7122 k = 0.3710 0.2006-0.0000 ( 6716 PWs) bands (ev): -79.8958 -79.8958 -79.8871 -79.8871 -45.5964 -45.5964 -45.5654 -45.5654 -43.9385 -43.9385 -43.8856 -43.8856 -43.7672 -43.7672 -43.7599 -43.7599 -22.4433 -22.4433 -5.3314 -5.3314 -4.2506 -4.2506 -4.1763 -4.1763 2.4892 2.4892 3.8373 3.8373 7.6868 7.6868 8.9457 8.9457 8.9803 8.9803 9.1561 9.1561 9.4088 9.4088 9.9530 9.9530 9.9795 9.9795 10.3325 10.3325 11.0761 11.0761 11.6854 11.6854 11.7582 11.7582 11.7962 11.7962 12.2718 12.2718 13.4863 13.4863 15.5127 15.5127 15.5143 15.5143 15.5449 15.5449 k = 0.3871 0.2093-0.0000 ( 6708 PWs) bands (ev): -79.8958 -79.8958 -79.8868 -79.8868 -45.5963 -45.5963 -45.5654 -45.5654 -43.9384 -43.9384 -43.8856 -43.8856 -43.7672 -43.7672 -43.7599 -43.7599 -22.4433 -22.4433 -5.3319 -5.3319 -4.2520 -4.2520 -4.1762 -4.1762 2.5419 2.5419 3.7684 3.7684 7.6922 7.6922 8.9435 8.9435 8.9785 8.9785 9.1566 9.1566 9.4174 9.4174 9.9500 9.9500 9.9768 9.9768 10.3191 10.3191 11.0763 11.0763 11.6858 11.6858 11.7686 11.7686 11.8068 11.8068 12.3690 12.3690 13.5082 13.5082 15.3823 15.3823 15.5494 15.5494 15.5505 15.5505 k = 0.4032 0.2180-0.0000 ( 6700 PWs) bands (ev): -79.8958 -79.8958 -79.8866 -79.8866 -45.5963 -45.5963 -45.5654 -45.5654 -43.9384 -43.9384 -43.8856 -43.8856 -43.7670 -43.7670 -43.7599 -43.7599 -22.4432 -22.4432 -5.3324 -5.3324 -4.2533 -4.2533 -4.1762 -4.1762 2.5937 2.5937 3.7025 3.7025 7.6961 7.6961 8.9413 8.9413 8.9767 8.9767 9.1571 9.1571 9.4254 9.4254 9.9474 9.9474 9.9744 9.9744 10.3081 10.3081 11.0765 11.0765 11.6858 11.6858 11.7777 11.7777 11.8163 11.8163 12.4648 12.4648 13.5281 13.5281 15.2295 15.2295 15.5816 15.5816 15.5840 15.5840 k = 0.4194 0.2267-0.0000 ( 6700 PWs) bands (ev): -79.8958 -79.8958 -79.8866 -79.8866 -45.5963 -45.5963 -45.5654 -45.5654 -43.9384 -43.9384 -43.8856 -43.8856 -43.7670 -43.7670 -43.7599 -43.7599 -22.4432 -22.4432 -5.3329 -5.3329 -4.2544 -4.2544 -4.1762 -4.1762 2.6435 2.6435 3.6409 3.6409 7.6988 7.6988 8.9391 8.9391 8.9749 8.9749 9.1576 9.1576 9.4325 9.4325 9.9452 9.9452 9.9723 9.9723 10.2979 10.2979 11.0767 11.0767 11.6859 11.6859 11.7856 11.7856 11.8245 11.8245 12.5568 12.5568 13.5442 13.5442 15.0887 15.0887 15.6098 15.6098 15.6135 15.6135 k = 0.4355 0.2354-0.0000 ( 6716 PWs) bands (ev): -79.8957 -79.8957 -79.8873 -79.8873 -45.5965 -45.5965 -45.5654 -45.5654 -43.9386 -43.9386 -43.8856 -43.8856 -43.7672 -43.7672 -43.7599 -43.7599 -22.4432 -22.4432 -5.3332 -5.3332 -4.2554 -4.2554 -4.1762 -4.1762 2.6898 2.6898 3.5848 3.5848 7.7004 7.7004 8.9359 8.9359 8.9721 8.9721 9.1580 9.1580 9.4383 9.4383 9.9435 9.9435 9.9708 9.9708 10.2895 10.2895 11.0779 11.0779 11.6841 11.6841 11.7924 11.7924 11.8317 11.8317 12.6418 12.6418 13.5576 13.5576 14.9635 14.9635 15.6323 15.6323 15.6372 15.6372 k = 0.4516 0.2442-0.0000 ( 6708 PWs) bands (ev): -79.8954 -79.8954 -79.8873 -79.8873 -45.5965 -45.5965 -45.5653 -45.5653 -43.9386 -43.9386 -43.8855 -43.8855 -43.7672 -43.7672 -43.7598 -43.7598 -22.4432 -22.4432 -5.3335 -5.3335 -4.2561 -4.2561 -4.1762 -4.1762 2.7306 2.7306 3.5364 3.5364 7.7016 7.7016 8.9345 8.9345 8.9709 8.9709 9.1586 9.1586 9.4432 9.4432 9.9423 9.9423 9.9697 9.9697 10.2829 10.2829 11.0789 11.0789 11.6841 11.6841 11.7981 11.7981 11.8376 11.8376 12.7157 12.7157 13.5679 13.5679 14.8582 14.8582 15.6515 15.6515 15.6574 15.6574 k = 0.4677 0.2529-0.0000 ( 6708 PWs) bands (ev): -79.8954 -79.8954 -79.8873 -79.8873 -45.5965 -45.5965 -45.5653 -45.5653 -43.9386 -43.9386 -43.8855 -43.8855 -43.7672 -43.7672 -43.7598 -43.7598 -22.4432 -22.4432 -5.3337 -5.3337 -4.2566 -4.2566 -4.1762 -4.1762 2.7633 2.7633 3.4984 3.4984 7.7023 7.7023 8.9334 8.9334 8.9700 8.9700 9.1588 9.1588 9.4468 9.4468 9.9413 9.9413 9.9688 9.9688 10.2782 10.2782 11.0789 11.0789 11.6841 11.6841 11.8018 11.8018 11.8415 11.8415 12.7738 12.7738 13.5752 13.5752 14.7777 14.7777 15.6656 15.6656 15.6722 15.6722 k = 0.4839 0.2616-0.0000 ( 6704 PWs) bands (ev): -79.8953 -79.8953 -79.8873 -79.8873 -45.5965 -45.5965 -45.5652 -45.5652 -43.9386 -43.9386 -43.8855 -43.8855 -43.7672 -43.7672 -43.7597 -43.7597 -22.4432 -22.4432 -5.3338 -5.3338 -4.2569 -4.2569 -4.1762 -4.1762 2.7847 2.7847 3.4738 3.4738 7.7027 7.7027 8.9328 8.9328 8.9695 8.9695 9.1590 9.1590 9.4496 9.4496 9.9407 9.9407 9.9683 9.9683 10.2753 10.2753 11.0790 11.0790 11.6841 11.6841 11.8042 11.8042 11.8440 11.8440 12.8113 12.8113 13.5797 13.5797 14.7271 14.7271 15.6742 15.6742 15.6813 15.6813 k = 0.5000 0.2703 0.0000 ( 6704 PWs) bands (ev): -79.8950 -79.8950 -79.8876 -79.8876 -45.5966 -45.5966 -45.5652 -45.5652 -43.9387 -43.9387 -43.8855 -43.8855 -43.7672 -43.7672 -43.7597 -43.7597 -22.4432 -22.4432 -5.3339 -5.3339 -4.2570 -4.2570 -4.1762 -4.1762 2.7922 2.7922 3.4652 3.4652 7.7024 7.7024 8.9325 8.9325 8.9692 8.9692 9.1589 9.1589 9.4507 9.4507 9.9410 9.9410 9.9685 9.9685 10.2739 10.2739 11.0794 11.0794 11.6833 11.6833 11.8056 11.8056 11.8455 11.8455 12.8242 12.8242 13.5810 13.5810 14.7097 14.7097 15.6770 15.6770 15.6842 15.6842 k = 0.5000 0.2703 0.0000 ( 6704 PWs) bands (ev): -79.8950 -79.8950 -79.8876 -79.8876 -45.5966 -45.5966 -45.5652 -45.5652 -43.9387 -43.9387 -43.8855 -43.8855 -43.7672 -43.7672 -43.7597 -43.7597 -22.4432 -22.4432 -5.3339 -5.3339 -4.2570 -4.2570 -4.1762 -4.1762 2.7922 2.7922 3.4652 3.4652 7.7024 7.7024 8.9325 8.9325 8.9692 8.9692 9.1589 9.1589 9.4507 9.4507 9.9410 9.9410 9.9685 9.9685 10.2739 10.2739 11.0794 11.0794 11.6833 11.6833 11.8056 11.8056 11.8455 11.8455 12.8242 12.8242 13.5810 13.5810 14.7097 14.7097 15.6770 15.6770 15.6842 15.6842 k = 0.4937 0.2819 0.0132 ( 6696 PWs) bands (ev): -79.8950 -79.8950 -79.8873 -79.8873 -45.5965 -45.5965 -45.5652 -45.5652 -43.9386 -43.9386 -43.8855 -43.8855 -43.7672 -43.7672 -43.7597 -43.7597 -22.4432 -22.4432 -5.3340 -5.3340 -4.2570 -4.2570 -4.1765 -4.1765 2.7932 2.7932 3.4664 3.4664 7.7034 7.7034 8.9322 8.9322 8.9688 8.9688 9.1602 9.1602 9.4516 9.4516 9.9373 9.9373 9.9649 9.9649 10.2778 10.2778 11.0784 11.0784 11.6703 11.6703 11.8065 11.8065 11.8512 11.8512 12.8284 12.8284 13.5863 13.5863 14.7070 14.7070 15.6718 15.6718 15.6827 15.6827 k = 0.4874 0.2936 0.0264 ( 6704 PWs) bands (ev): -79.8953 -79.8953 -79.8873 -79.8873 -45.5964 -45.5964 -45.5653 -45.5653 -43.9385 -43.9385 -43.8856 -43.8856 -43.7672 -43.7672 -43.7597 -43.7597 -22.4431 -22.4431 -5.3343 -5.3343 -4.2571 -4.2571 -4.1773 -4.1773 2.7962 2.7962 3.4698 3.4698 7.7051 7.7051 8.9308 8.9308 8.9674 8.9674 9.1627 9.1627 9.4546 9.4546 9.9241 9.9241 9.9561 9.9561 10.2873 10.2873 11.0756 11.0756 11.6388 11.6388 11.7903 11.7903 11.8773 11.8773 12.8402 12.8402 13.6015 13.6015 14.6987 14.6987 15.6512 15.6512 15.6835 15.6835 k = 0.4812 0.3052 0.0396 ( 6704 PWs) bands (ev): -79.8954 -79.8954 -79.8872 -79.8872 -45.5963 -45.5963 -45.5654 -45.5654 -43.9384 -43.9384 -43.8857 -43.8857 -43.7671 -43.7671 -43.7598 -43.7598 -22.4430 -22.4430 -5.3347 -5.3347 -4.2572 -4.2572 -4.1786 -4.1786 2.8012 2.8012 3.4755 3.4755 7.7080 7.7080 8.9286 8.9286 8.9654 8.9654 9.1675 9.1675 9.4597 9.4597 9.9003 9.9003 9.9462 9.9462 10.3014 10.3014 11.0712 11.0712 11.6011 11.6011 11.7561 11.7561 11.9165 11.9165 12.8585 12.8585 13.6262 13.6262 14.6844 14.6844 15.6189 15.6189 15.6862 15.6862 k = 0.4749 0.3168 0.0528 ( 6692 PWs) bands (ev): -79.8954 -79.8954 -79.8868 -79.8868 -45.5961 -45.5961 -45.5655 -45.5655 -43.9381 -43.9381 -43.8859 -43.8859 -43.7671 -43.7671 -43.7598 -43.7598 -22.4428 -22.4428 -5.3354 -5.3354 -4.2573 -4.2573 -4.1804 -4.1804 2.8082 2.8082 3.4834 3.4834 7.7118 7.7118 8.9252 8.9252 8.9631 8.9631 9.1740 9.1740 9.4666 9.4666 9.8676 9.8676 9.9353 9.9353 10.3186 10.3186 11.0657 11.0657 11.5632 11.5632 11.7106 11.7106 11.9616 11.9616 12.8818 12.8818 13.6599 13.6599 14.6634 14.6634 15.5788 15.5788 15.6905 15.6905 k = 0.4686 0.3284 0.0660 ( 6684 PWs) bands (ev): -79.8952 -79.8952 -79.8867 -79.8867 -45.5960 -45.5960 -45.5655 -45.5655 -43.9379 -43.9379 -43.8860 -43.8860 -43.7670 -43.7670 -43.7598 -43.7598 -22.4426 -22.4426 -5.3363 -5.3363 -4.2576 -4.2576 -4.1826 -4.1826 2.8172 2.8172 3.4935 3.4935 7.7165 7.7165 8.9205 8.9205 8.9609 8.9609 9.1829 9.1829 9.4754 9.4754 9.8278 9.8278 9.9227 9.9227 10.3367 10.3367 11.0590 11.0590 11.5229 11.5229 11.6568 11.6568 12.0081 12.0081 12.9087 12.9087 13.7009 13.7009 14.6349 14.6349 15.5351 15.5351 15.6960 15.6960 k = 0.4623 0.3400 0.0792 ( 6700 PWs) bands (ev): -79.8954 -79.8954 -79.8870 -79.8870 -45.5959 -45.5959 -45.5657 -45.5657 -43.9378 -43.9378 -43.8863 -43.8863 -43.7670 -43.7670 -43.7599 -43.7599 -22.4423 -22.4423 -5.3374 -5.3374 -4.2580 -4.2580 -4.1851 -4.1851 2.8281 2.8281 3.5056 3.5056 7.7218 7.7218 8.9139 8.9139 8.9587 8.9587 9.1926 9.1926 9.4847 9.4847 9.7823 9.7823 9.9077 9.9077 10.3546 10.3546 11.0500 11.0500 11.4813 11.4813 11.5970 11.5970 12.0545 12.0545 12.9381 12.9381 13.7480 13.7480 14.5972 14.5972 15.4915 15.4915 15.7023 15.7023 k = 0.4561 0.3516 0.0924 ( 6700 PWs) bands (ev): -79.8953 -79.8953 -79.8871 -79.8871 -45.5958 -45.5958 -45.5659 -45.5659 -43.9375 -43.9375 -43.8866 -43.8866 -43.7670 -43.7670 -43.7599 -43.7599 -22.4420 -22.4420 -5.3386 -5.3386 -4.2587 -4.2587 -4.1878 -4.1878 2.8410 2.8410 3.5198 3.5198 7.7280 7.7280 8.9062 8.9062 8.9572 8.9572 9.2043 9.2043 9.4960 9.4960 9.7325 9.7325 9.8910 9.8910 10.3726 10.3726 11.0394 11.0394 11.4406 11.4406 11.5345 11.5345 12.1018 12.1018 12.9693 12.9693 13.8001 13.8001 14.5505 14.5505 15.4519 15.4519 15.7097 15.7097 k = 0.4498 0.3632 0.1056 ( 6706 PWs) bands (ev): -79.8955 -79.8955 -79.8871 -79.8871 -45.5956 -45.5956 -45.5661 -45.5661 -43.9372 -43.9372 -43.8869 -43.8869 -43.7670 -43.7670 -43.7600 -43.7600 -22.4417 -22.4417 -5.3401 -5.3401 -4.2598 -4.2598 -4.1906 -4.1906 2.8559 2.8559 3.5358 3.5358 7.7346 7.7346 8.8975 8.8975 8.9562 8.9562 9.2169 9.2169 9.5079 9.5079 9.6788 9.6788 9.8718 9.8718 10.3898 10.3898 11.0269 11.0269 11.4006 11.4006 11.4701 11.4701 12.1494 12.1494 13.0017 13.0017 13.8559 13.8559 14.4943 14.4943 15.4182 15.4182 15.7182 15.7182 k = 0.4435 0.3748 0.1188 ( 6702 PWs) bands (ev): -79.8955 -79.8955 -79.8870 -79.8870 -45.5954 -45.5954 -45.5663 -45.5663 -43.9369 -43.9369 -43.8873 -43.8873 -43.7669 -43.7669 -43.7601 -43.7601 -22.4413 -22.4413 -5.3417 -5.3417 -4.2613 -4.2613 -4.1934 -4.1934 2.8728 2.8728 3.5537 3.5537 7.7415 7.7415 8.8882 8.8882 8.9561 8.9561 9.2311 9.2311 9.5206 9.5206 9.6221 9.6221 9.8511 9.8511 10.4060 10.4060 11.0139 11.0139 11.3606 11.3606 11.4060 11.4060 12.1967 12.1967 13.0352 13.0352 13.9140 13.9140 14.4295 14.4295 15.3917 15.3917 15.7277 15.7277 k = 0.4372 0.3865 0.1320 ( 6700 PWs) bands (ev): -79.8953 -79.8953 -79.8871 -79.8871 -45.5951 -45.5951 -45.5666 -45.5666 -43.9365 -43.9365 -43.8877 -43.8877 -43.7668 -43.7668 -43.7602 -43.7602 -22.4409 -22.4409 -5.3436 -5.3436 -4.2634 -4.2634 -4.1959 -4.1959 2.8915 2.8915 3.5732 3.5732 7.7484 7.7484 8.8781 8.8781 8.9564 8.9564 9.2467 9.2467 9.5309 9.5309 9.5660 9.5660 9.8288 9.8288 10.4206 10.4206 10.9997 10.9997 11.3191 11.3191 11.3451 11.3451 12.2435 12.2435 13.0696 13.0696 13.9725 13.9725 14.3564 14.3564 15.3724 15.3724 15.7379 15.7379 k = 0.4309 0.3981 0.1452 ( 6696 PWs) bands (ev): -79.8953 -79.8953 -79.8870 -79.8870 -45.5949 -45.5949 -45.5668 -45.5668 -43.9361 -43.9361 -43.8881 -43.8881 -43.7667 -43.7667 -43.7602 -43.7602 -22.4404 -22.4404 -5.3456 -5.3456 -4.2661 -4.2661 -4.1980 -4.1980 2.9123 2.9123 3.5942 3.5942 7.7548 7.7548 8.8679 8.8679 8.9575 8.9575 9.2633 9.2633 9.4959 9.4959 9.5537 9.5537 9.8049 9.8049 10.4337 10.4337 10.9834 10.9834 11.2704 11.2704 11.2940 11.2940 12.2897 12.2897 13.1045 13.1045 14.0307 14.0307 14.2768 14.2768 15.3602 15.3602 15.7493 15.7493 k = 0.4247 0.4097 0.1584 ( 6692 PWs) bands (ev): -79.8953 -79.8953 -79.8868 -79.8868 -45.5945 -45.5945 -45.5671 -45.5671 -43.9355 -43.9355 -43.8886 -43.8886 -43.7667 -43.7667 -43.7603 -43.7603 -22.4399 -22.4399 -5.3479 -5.3479 -4.2695 -4.2695 -4.1997 -4.1997 2.9348 2.9348 3.6166 3.6166 7.7608 7.7608 8.8573 8.8573 8.9591 8.9591 9.2804 9.2804 9.4349 9.4349 9.5667 9.5667 9.7796 9.7796 10.4454 10.4454 10.9655 10.9655 11.2143 11.2143 11.2532 11.2532 12.3351 12.3351 13.1398 13.1398 14.0866 14.0866 14.1919 14.1919 15.3544 15.3544 15.7612 15.7612 k = 0.4184 0.4213 0.1716 ( 6688 PWs) bands (ev): -79.8952 -79.8952 -79.8868 -79.8868 -45.5942 -45.5942 -45.5674 -45.5674 -43.9350 -43.9350 -43.8891 -43.8891 -43.7666 -43.7666 -43.7604 -43.7604 -22.4394 -22.4394 -5.3503 -5.3503 -4.2736 -4.2736 -4.2009 -4.2009 2.9593 2.9593 3.6401 3.6401 7.7652 7.7652 8.8465 8.8465 8.9617 8.9617 9.2971 9.2971 9.3746 9.3746 9.5809 9.5809 9.7534 9.7534 10.4550 10.4550 10.9463 10.9463 11.1589 11.1589 11.2148 11.2148 12.3788 12.3788 13.1750 13.1750 14.0994 14.0994 14.1428 14.1428 15.3540 15.3540 15.7741 15.7741 k = 0.4121 0.4329 0.1848 ( 6686 PWs) bands (ev): -79.8950 -79.8950 -79.8869 -79.8869 -45.5939 -45.5939 -45.5677 -45.5677 -43.9345 -43.9345 -43.8896 -43.8896 -43.7665 -43.7665 -43.7604 -43.7604 -22.4389 -22.4389 -5.3529 -5.3529 -4.2784 -4.2784 -4.2015 -4.2015 2.9857 2.9857 3.6645 3.6645 7.7678 7.7678 8.8359 8.8359 8.9647 8.9647 9.2923 9.2923 9.3368 9.3368 9.5950 9.5950 9.7269 9.7269 10.4629 10.4629 10.9251 10.9251 11.1064 11.1064 11.1779 11.1779 12.4214 12.4214 13.2097 13.2097 14.0085 14.0085 14.1894 14.1894 15.3586 15.3586 15.7869 15.7869 k = 0.4058 0.4445 0.1980 ( 6694 PWs) bands (ev): -79.8950 -79.8950 -79.8871 -79.8871 -45.5936 -45.5936 -45.5681 -45.5681 -43.9340 -43.9340 -43.8902 -43.8902 -43.7664 -43.7664 -43.7606 -43.7606 -22.4383 -22.4383 -5.3557 -5.3557 -4.2839 -4.2839 -4.2015 -4.2015 3.0138 3.0138 3.6896 3.6896 7.7679 7.7679 8.8254 8.8254 8.9681 8.9681 9.2396 9.2396 9.3490 9.3490 9.6077 9.6077 9.7002 9.7002 10.4685 10.4685 10.9026 10.9026 11.0568 11.0568 11.1405 11.1405 12.4616 12.4616 13.2429 13.2429 13.9142 13.9142 14.2312 14.2312 15.3673 15.3673 15.7996 15.7996 k = 0.3995 0.4561 0.2112 ( 6694 PWs) bands (ev): -79.8951 -79.8951 -79.8871 -79.8871 -45.5932 -45.5932 -45.5684 -45.5684 -43.9334 -43.9334 -43.8909 -43.8909 -43.7664 -43.7664 -43.7607 -43.7607 -22.4377 -22.4377 -5.3586 -5.3586 -4.2898 -4.2898 -4.2012 -4.2012 3.0437 3.0437 3.7152 3.7152 7.7655 7.7655 8.8158 8.8158 8.9722 8.9722 9.1821 9.1821 9.3698 9.3698 9.6166 9.6166 9.6770 9.6770 10.4724 10.4724 10.8783 10.8783 11.0110 11.0110 11.1039 11.1039 12.5004 12.5004 13.2740 13.2740 13.8188 13.8188 14.2652 14.2652 15.3797 15.3797 15.7967 15.7967 k = 0.3933 0.4677 0.2244 ( 6706 PWs) bands (ev): -79.8950 -79.8950 -79.8876 -79.8876 -45.5930 -45.5930 -45.5688 -45.5688 -43.9329 -43.9329 -43.8915 -43.8915 -43.7664 -43.7664 -43.7608 -43.7608 -22.4371 -22.4371 -5.3617 -5.3617 -4.2961 -4.2961 -4.2004 -4.2004 3.0755 3.0755 3.7410 3.7410 7.7590 7.7590 8.8057 8.8057 8.9766 8.9766 9.1272 9.1272 9.3924 9.3924 9.6125 9.6125 9.6658 9.6658 10.4744 10.4744 10.8528 10.8528 10.9690 10.9690 11.0670 11.0670 12.5368 12.5368 13.3015 13.3015 13.7221 13.7221 14.2914 14.2914 15.3951 15.3951 15.7545 15.7545 k = 0.3870 0.4794 0.2376 ( 6710 PWs) bands (ev): -79.8950 -79.8950 -79.8877 -79.8877 -45.5926 -45.5926 -45.5693 -45.5693 -43.9322 -43.9322 -43.8922 -43.8922 -43.7663 -43.7663 -43.7609 -43.7609 -22.4365 -22.4365 -5.3649 -5.3649 -4.3028 -4.3028 -4.1992 -4.1992 3.1089 3.1089 3.7666 3.7666 7.7485 7.7485 8.7967 8.7967 8.9813 8.9813 9.0772 9.0772 9.4159 9.4159 9.5920 9.5920 9.6706 9.6706 10.4746 10.4746 10.8261 10.8261 10.9304 10.9304 11.0308 11.0308 12.5716 12.5716 13.3239 13.3239 13.6259 13.6259 14.3099 14.3099 15.4132 15.4132 15.7302 15.7302 k = 0.3807 0.4910 0.2508 ( 6702 PWs) bands (ev): -79.8949 -79.8949 -79.8875 -79.8875 -45.5921 -45.5921 -45.5697 -45.5697 -43.9315 -43.9315 -43.8929 -43.8929 -43.7661 -43.7661 -43.7610 -43.7610 -22.4359 -22.4359 -5.3682 -5.3682 -4.3096 -4.3096 -4.1978 -4.1978 3.1441 3.1441 3.7919 3.7919 7.7338 7.7338 8.7886 8.7886 8.9857 8.9857 9.0342 9.0342 9.4405 9.4405 9.5653 9.5653 9.6815 9.6815 10.4734 10.4734 10.7985 10.7985 10.8953 10.8953 10.9949 10.9949 12.6046 12.6046 13.3394 13.3394 13.5304 13.5304 14.3225 14.3225 15.4336 15.4336 15.7256 15.7256 k = 0.3744 0.5026 0.2640 ( 6694 PWs) bands (ev): -79.8946 -79.8946 -79.8875 -79.8875 -45.5916 -45.5916 -45.5701 -45.5701 -43.9307 -43.9307 -43.8937 -43.8937 -43.7660 -43.7660 -43.7610 -43.7610 -22.4353 -22.4353 -5.3717 -5.3717 -4.3164 -4.3164 -4.1962 -4.1962 3.1810 3.1810 3.8165 3.8165 7.7140 7.7140 8.7812 8.7812 8.9803 8.9803 9.0079 9.0079 9.4641 9.4641 9.5384 9.5384 9.6936 9.6936 10.4710 10.4710 10.7706 10.7706 10.8634 10.8634 10.9590 10.9590 12.6352 12.6352 13.3461 13.3461 13.4356 13.4356 14.3325 14.3325 15.4557 15.4557 15.7400 15.7400 k = 0.3682 0.5142 0.2772 ( 6690 PWs) bands (ev): -79.8945 -79.8945 -79.8875 -79.8875 -45.5912 -45.5912 -45.5705 -45.5705 -43.9300 -43.9300 -43.8944 -43.8944 -43.7659 -43.7659 -43.7612 -43.7612 -22.4347 -22.4347 -5.3752 -5.3752 -4.3233 -4.3233 -4.1944 -4.1944 3.2194 3.2194 3.8399 3.8399 7.6897 7.6897 8.7746 8.7746 8.9557 8.9557 9.0083 9.0083 9.4788 9.4788 9.5205 9.5205 9.7059 9.7059 10.4661 10.4661 10.7425 10.7425 10.8329 10.8329 10.9227 10.9227 12.6633 12.6633 13.3418 13.3418 13.3421 13.3421 14.3435 14.3435 15.4797 15.4797 15.7710 15.7710 k = 0.3619 0.5258 0.2904 ( 6694 PWs) bands (ev): -79.8945 -79.8945 -79.8877 -79.8877 -45.5907 -45.5907 -45.5710 -45.5710 -43.9292 -43.9292 -43.8953 -43.8953 -43.7658 -43.7658 -43.7613 -43.7613 -22.4341 -22.4341 -5.3788 -5.3788 -4.3301 -4.3301 -4.1925 -4.1925 3.2594 3.2594 3.8618 3.8618 7.6607 7.6607 8.7686 8.7686 8.9322 8.9322 9.0149 9.0149 9.4634 9.4634 9.5329 9.5329 9.7178 9.7178 10.4596 10.4596 10.7138 10.7138 10.8042 10.8042 10.8865 10.8865 12.6894 12.6894 13.2491 13.2491 13.3258 13.3258 14.3593 14.3593 15.5049 15.5049 15.8145 15.8145 k = 0.3556 0.5374 0.3036 ( 6702 PWs) bands (ev): -79.8944 -79.8944 -79.8881 -79.8881 -45.5903 -45.5903 -45.5715 -45.5715 -43.9285 -43.9285 -43.8961 -43.8961 -43.7657 -43.7657 -43.7614 -43.7614 -22.4334 -22.4334 -5.3824 -5.3824 -4.3368 -4.3368 -4.1905 -4.1905 3.3009 3.3009 3.8819 3.8819 7.6279 7.6279 8.7634 8.7634 8.9144 8.9144 9.0233 9.0233 9.4354 9.4354 9.5585 9.5585 9.7293 9.7293 10.4517 10.4517 10.6856 10.6856 10.7772 10.7772 10.8491 10.8491 12.7125 12.7125 13.1577 13.1577 13.2976 13.2976 14.3825 14.3825 15.5314 15.5314 15.8307 15.8307 k = 0.3493 0.5490 0.3168 ( 6710 PWs) bands (ev): -79.8944 -79.8944 -79.8884 -79.8884 -45.5899 -45.5899 -45.5720 -45.5720 -43.9277 -43.9277 -43.8970 -43.8970 -43.7656 -43.7656 -43.7616 -43.7616 -22.4329 -22.4329 -5.3861 -5.3861 -4.3432 -4.3432 -4.1884 -4.1884 3.3439 3.3439 3.8996 3.8996 7.5922 7.5922 8.7592 8.7592 8.9027 8.9027 9.0324 9.0324 9.4056 9.4056 9.5866 9.5866 9.7397 9.7397 10.4424 10.4424 10.6580 10.6580 10.7515 10.7515 10.8123 10.8123 12.7340 12.7340 13.0678 13.0678 13.2583 13.2583 14.4147 14.4147 15.5582 15.5582 15.8087 15.8087 k = 0.3430 0.5606 0.3300 ( 6703 PWs) bands (ev): -79.8941 -79.8941 -79.8884 -79.8884 -45.5894 -45.5894 -45.5725 -45.5725 -43.9269 -43.9269 -43.8978 -43.8978 -43.7655 -43.7655 -43.7617 -43.7617 -22.4323 -22.4323 -5.3897 -5.3897 -4.3495 -4.3495 -4.1863 -4.1863 3.3883 3.3883 3.9147 3.9147 7.5547 7.5547 8.7563 8.7563 8.8965 8.8965 9.0430 9.0430 9.3759 9.3759 9.6170 9.6170 9.7493 9.7493 10.4321 10.4321 10.6311 10.6311 10.7274 10.7274 10.7765 10.7765 12.7543 12.7543 12.9797 12.9797 13.2097 13.2097 14.4563 14.4563 15.5855 15.5855 15.7738 15.7738 k = 0.3368 0.5722 0.3432 ( 6699 PWs) bands (ev): -79.8939 -79.8939 -79.8884 -79.8884 -45.5888 -45.5888 -45.5730 -45.5730 -43.9260 -43.9260 -43.8987 -43.8987 -43.7653 -43.7653 -43.7618 -43.7618 -22.4317 -22.4317 -5.3932 -5.3932 -4.3554 -4.3554 -4.1842 -4.1842 3.4340 3.4340 3.9265 3.9265 7.5166 7.5166 8.7543 8.7543 8.8952 8.8952 9.0540 9.0540 9.3464 9.3464 9.6478 9.6478 9.7572 9.7572 10.4206 10.4206 10.6054 10.6054 10.7042 10.7042 10.7412 10.7412 12.7730 12.7730 12.8932 12.8932 13.1540 13.1540 14.5065 14.5065 15.6123 15.6123 15.7258 15.7258 k = 0.3305 0.5839 0.3564 ( 6701 PWs) bands (ev): -79.8938 -79.8938 -79.8886 -79.8886 -45.5883 -45.5883 -45.5735 -45.5735 -43.9251 -43.9251 -43.8996 -43.8996 -43.7652 -43.7652 -43.7620 -43.7620 -22.4312 -22.4312 -5.3967 -5.3967 -4.3610 -4.3610 -4.1821 -4.1821 3.4810 3.4810 3.9349 3.9349 7.4790 7.4790 8.7533 8.7533 8.8972 8.8972 9.0656 9.0656 9.3173 9.3173 9.6789 9.6789 9.7643 9.7643 10.4080 10.4080 10.5800 10.5800 10.6807 10.6807 10.7075 10.7075 12.7898 12.7898 12.8085 12.8085 13.0929 13.0929 14.5645 14.5645 15.6386 15.6386 15.6656 15.6656 k = 0.3242 0.5955 0.3696 ( 6703 PWs) bands (ev): -79.8935 -79.8935 -79.8889 -79.8889 -45.5878 -45.5878 -45.5741 -45.5741 -43.9242 -43.9242 -43.9005 -43.9005 -43.7651 -43.7651 -43.7621 -43.7621 -22.4307 -22.4307 -5.4001 -5.4001 -4.3662 -4.3662 -4.1801 -4.1801 3.5292 3.5292 3.9393 3.9393 7.4430 7.4430 8.7535 8.7535 8.9020 8.9020 9.0777 9.0777 9.2887 9.2887 9.7101 9.7101 9.7704 9.7704 10.3949 10.3949 10.5560 10.5560 10.6538 10.6538 10.6790 10.6790 12.7250 12.7250 12.8057 12.8057 13.0286 13.0286 14.6294 14.6294 15.5938 15.5938 15.6646 15.6646 k = 0.3179 0.6071 0.3828 ( 6699 PWs) bands (ev): -79.8932 -79.8932 -79.8891 -79.8891 -45.5873 -45.5873 -45.5746 -45.5746 -43.9233 -43.9233 -43.9014 -43.9014 -43.7650 -43.7650 -43.7622 -43.7622 -22.4302 -22.4302 -5.4033 -5.4033 -4.3711 -4.3711 -4.1781 -4.1781 3.5785 3.5785 3.9394 3.9394 7.4097 7.4097 8.7549 8.7549 8.9087 8.9087 9.0908 9.0908 9.2609 9.2609 9.7404 9.7404 9.7769 9.7769 10.3813 10.3813 10.5327 10.5327 10.6215 10.6215 10.6583 10.6583 12.6436 12.6436 12.8202 12.8202 12.9630 12.9630 14.7004 14.7004 15.5143 15.5143 15.6888 15.6888 k = 0.3117 0.6187 0.3960 ( 6707 PWs) bands (ev): -79.8934 -79.8934 -79.8892 -79.8892 -45.5867 -45.5867 -45.5752 -45.5752 -43.9223 -43.9223 -43.9025 -43.9025 -43.7649 -43.7649 -43.7623 -43.7623 -22.4298 -22.4298 -5.4063 -5.4063 -4.3756 -4.3756 -4.1762 -4.1762 3.6288 3.6288 3.9348 3.9348 7.3800 7.3800 8.7573 8.7573 8.9163 8.9163 9.1042 9.1042 9.2335 9.2335 9.7619 9.7619 9.7897 9.7897 10.3666 10.3666 10.5111 10.5111 10.5860 10.5860 10.6421 10.6421 12.5641 12.5641 12.8325 12.8325 12.8981 12.8981 14.7763 14.7763 15.4279 15.4279 15.7107 15.7107 k = 0.3054 0.6303 0.4092 ( 6707 PWs) bands (ev): -79.8932 -79.8932 -79.8894 -79.8894 -45.5861 -45.5861 -45.5758 -45.5758 -43.9214 -43.9214 -43.9035 -43.9035 -43.7647 -43.7647 -43.7625 -43.7625 -22.4293 -22.4293 -5.4092 -5.4092 -4.3796 -4.3796 -4.1743 -4.1743 3.6800 3.6800 3.9254 3.9254 7.3547 7.3547 8.7609 8.7609 8.9238 8.9238 9.1186 9.1186 9.2072 9.2072 9.7676 9.7676 9.8178 9.8178 10.3516 10.3516 10.4916 10.4916 10.5501 10.5501 10.6293 10.6293 12.4860 12.4860 12.8224 12.8224 12.8561 12.8561 14.8567 14.8567 15.3372 15.3372 15.7307 15.7307 k = 0.2991 0.6419 0.4224 ( 6713 PWs) bands (ev): -79.8932 -79.8932 -79.8896 -79.8896 -45.5856 -45.5856 -45.5764 -45.5764 -43.9204 -43.9204 -43.9045 -43.9045 -43.7646 -43.7646 -43.7626 -43.7626 -22.4290 -22.4290 -5.4118 -5.4118 -4.3832 -4.3832 -4.1726 -4.1726 3.7319 3.7319 3.9111 3.9111 7.3343 7.3343 8.7656 8.7656 8.9304 8.9304 9.1333 9.1333 9.1820 9.1820 9.7659 9.7659 9.8504 9.8504 10.3366 10.3366 10.4743 10.4743 10.5142 10.5142 10.6193 10.6193 12.4095 12.4095 12.7628 12.7628 12.8648 12.8648 14.9408 14.9408 15.2429 15.2429 15.7478 15.7478 k = 0.2928 0.6535 0.4356 ( 6709 PWs) bands (ev): -79.8930 -79.8930 -79.8896 -79.8896 -45.5850 -45.5850 -45.5770 -45.5770 -43.9194 -43.9194 -43.9055 -43.9055 -43.7645 -43.7645 -43.7628 -43.7628 -22.4286 -22.4286 -5.4141 -5.4141 -4.3864 -4.3864 -4.1710 -4.1710 3.7843 3.7843 3.8919 3.8919 7.3192 7.3192 8.7716 8.7716 8.9354 8.9354 9.1475 9.1475 9.1589 9.1589 9.7612 9.7612 9.8848 9.8848 10.3216 10.3216 10.4598 10.4598 10.4788 10.4788 10.6122 10.6122 12.3356 12.3356 12.7013 12.7013 12.8779 12.8779 15.0272 15.0272 15.1479 15.1479 15.7626 15.7626 k = 0.2865 0.6651 0.4488 ( 6719 PWs) bands (ev): -79.8931 -79.8931 -79.8899 -79.8899 -45.5844 -45.5844 -45.5777 -45.5777 -43.9184 -43.9184 -43.9066 -43.9066 -43.7643 -43.7643 -43.7630 -43.7630 -22.4284 -22.4284 -5.4162 -5.4162 -4.3891 -4.3891 -4.1695 -4.1695 3.8347 3.8347 3.8700 3.8700 7.3098 7.3098 8.7789 8.7789 8.9377 8.9377 9.1331 9.1331 9.1659 9.1659 9.7542 9.7542 9.9197 9.9197 10.3064 10.3064 10.4429 10.4429 10.4476 10.4476 10.6067 10.6067 12.2632 12.2632 12.6415 12.6415 12.8915 12.8915 15.0422 15.0422 15.1256 15.1256 15.7753 15.7753 k = 0.2865 0.6651 0.4488 ( 6719 PWs) bands (ev): -79.8931 -79.8931 -79.8899 -79.8899 -45.5844 -45.5844 -45.5777 -45.5777 -43.9184 -43.9184 -43.9066 -43.9066 -43.7643 -43.7643 -43.7630 -43.7630 -22.4284 -22.4284 -5.4162 -5.4162 -4.3891 -4.3891 -4.1695 -4.1695 3.8347 3.8347 3.8700 3.8700 7.3098 7.3098 8.7789 8.7789 8.9377 8.9377 9.1331 9.1331 9.1659 9.1659 9.7542 9.7542 9.9197 9.9197 10.3064 10.3064 10.4429 10.4429 10.4476 10.4476 10.6067 10.6067 12.2632 12.2632 12.6415 12.6415 12.8915 12.8915 15.0422 15.0422 15.1256 15.1256 15.7753 15.7753 k = 0.2697 0.6612 0.4534 ( 6711 PWs) bands (ev): -79.8928 -79.8928 -79.8899 -79.8899 -45.5842 -45.5842 -45.5778 -45.5778 -43.9180 -43.9180 -43.9069 -43.9069 -43.7643 -43.7643 -43.7630 -43.7630 -22.4283 -22.4283 -5.4168 -5.4168 -4.3899 -4.3899 -4.1690 -4.1690 3.8317 3.8317 3.8815 3.8815 7.3100 7.3100 8.7742 8.7742 8.9437 8.9437 9.1235 9.1235 9.1739 9.1739 9.7505 9.7505 9.9321 9.9321 10.3020 10.3020 10.4317 10.4317 10.4442 10.4442 10.6069 10.6069 12.2195 12.2195 12.6438 12.6438 12.8965 12.8965 15.0104 15.0104 15.1363 15.1363 15.7954 15.7954 k = 0.2528 0.6572 0.4579 ( 6713 PWs) bands (ev): -79.8927 -79.8927 -79.8901 -79.8901 -45.5840 -45.5840 -45.5780 -45.5780 -43.9177 -43.9177 -43.9072 -43.9072 -43.7643 -43.7643 -43.7630 -43.7630 -22.4282 -22.4282 -5.4174 -5.4174 -4.3907 -4.3907 -4.1685 -4.1685 3.8147 3.8147 3.9062 3.9062 7.3153 7.3153 8.7560 8.7560 8.9595 8.9595 9.1119 9.1119 9.1837 9.1837 9.7448 9.7448 9.9445 9.9445 10.2978 10.2978 10.4195 10.4195 10.4408 10.4408 10.6094 10.6094 12.1479 12.1479 12.6795 12.6795 12.9011 12.9011 14.9783 14.9783 15.1128 15.1128 15.8448 15.8448 k = 0.2360 0.6532 0.4624 ( 6703 PWs) bands (ev): -79.8925 -79.8925 -79.8900 -79.8900 -45.5837 -45.5837 -45.5782 -45.5782 -43.9173 -43.9173 -43.9075 -43.9075 -43.7642 -43.7642 -43.7630 -43.7630 -22.4281 -22.4281 -5.4180 -5.4180 -4.3914 -4.3914 -4.1680 -4.1680 3.7968 3.7968 3.9308 3.9308 7.3255 7.3255 8.7287 8.7287 8.9815 8.9815 9.1007 9.1007 9.1940 9.1940 9.7366 9.7366 9.9574 9.9574 10.2943 10.2943 10.4081 10.4081 10.4380 10.4380 10.6144 10.6144 12.0651 12.0651 12.7337 12.7337 12.9057 12.9057 14.9474 14.9474 15.0636 15.0636 15.9141 15.9141 k = 0.2191 0.6492 0.4669 ( 6705 PWs) bands (ev): -79.8923 -79.8923 -79.8902 -79.8902 -45.5836 -45.5836 -45.5783 -45.5783 -43.9170 -43.9170 -43.9078 -43.9078 -43.7642 -43.7642 -43.7631 -43.7631 -22.4280 -22.4280 -5.4185 -5.4185 -4.3920 -4.3920 -4.1675 -4.1675 3.7798 3.7798 3.9536 3.9536 7.3405 7.3405 8.6944 8.6944 9.0065 9.0065 9.0897 9.0897 9.2041 9.2041 9.7262 9.7262 9.9702 9.9702 10.2906 10.2906 10.3964 10.3964 10.4349 10.4349 10.6218 10.6218 11.9782 11.9782 12.7973 12.7973 12.9100 12.9100 14.9181 14.9181 14.9982 14.9982 15.9937 15.9937 k = 0.2023 0.6453 0.4714 ( 6698 PWs) bands (ev): -79.8920 -79.8920 -79.8902 -79.8902 -45.5834 -45.5834 -45.5785 -45.5785 -43.9166 -43.9166 -43.9082 -43.9082 -43.7641 -43.7641 -43.7631 -43.7631 -22.4280 -22.4280 -5.4189 -5.4189 -4.3926 -4.3926 -4.1671 -4.1671 3.7638 3.7638 3.9744 3.9744 7.3604 7.3604 8.6554 8.6554 9.0325 9.0325 9.0801 9.0801 9.2140 9.2140 9.7142 9.7142 9.9833 9.9833 10.2876 10.2876 10.3857 10.3857 10.4312 10.4312 10.6322 10.6322 11.8921 11.8921 12.8658 12.8658 12.9149 12.9149 14.8888 14.8888 14.9257 14.9257 16.0775 16.0775 k = 0.1854 0.6413 0.4759 ( 6692 PWs) bands (ev): -79.8918 -79.8918 -79.8902 -79.8902 -45.5831 -45.5831 -45.5787 -45.5787 -43.9163 -43.9163 -43.9085 -43.9085 -43.7641 -43.7641 -43.7630 -43.7630 -22.4279 -22.4279 -5.4194 -5.4194 -4.3932 -4.3932 -4.1666 -4.1666 3.7491 3.7491 3.9930 3.9930 7.3847 7.3847 8.6126 8.6126 9.0558 9.0558 9.0739 9.0739 9.2236 9.2236 9.7008 9.7008 9.9966 9.9966 10.2843 10.2843 10.3755 10.3755 10.4272 10.4272 10.6450 10.6450 11.8084 11.8084 12.9135 12.9135 12.9440 12.9440 14.8344 14.8344 14.8751 14.8751 16.1617 16.1617 k = 0.1686 0.6373 0.4805 ( 6690 PWs) bands (ev): -79.8919 -79.8919 -79.8901 -79.8901 -45.5829 -45.5829 -45.5789 -45.5789 -43.9159 -43.9159 -43.9089 -43.9089 -43.7640 -43.7640 -43.7631 -43.7631 -22.4278 -22.4278 -5.4198 -5.4198 -4.3936 -4.3936 -4.1661 -4.1661 3.7357 3.7357 4.0096 4.0096 7.4133 7.4133 8.5668 8.5668 9.0576 9.0576 9.0902 9.0902 9.2329 9.2329 9.6854 9.6854 10.0100 10.0100 10.2806 10.2806 10.3662 10.3662 10.4226 10.4226 10.6598 10.6598 11.7284 11.7284 12.9185 12.9185 13.0181 13.0181 14.7519 14.7519 14.8512 14.8512 16.2432 16.2432 k = 0.1517 0.6333 0.4850 ( 6695 PWs) bands (ev): -79.8918 -79.8918 -79.8903 -79.8903 -45.5827 -45.5827 -45.5791 -45.5791 -43.9156 -43.9156 -43.9093 -43.9093 -43.7640 -43.7640 -43.7632 -43.7632 -22.4278 -22.4278 -5.4201 -5.4201 -4.3941 -4.3941 -4.1657 -4.1657 3.7235 3.7235 4.0241 4.0241 7.4459 7.4459 8.5182 8.5182 9.0503 9.0503 9.1152 9.1152 9.2416 9.2416 9.6689 9.6689 10.0230 10.0230 10.2762 10.2762 10.3580 10.3580 10.4178 10.4178 10.6771 10.6771 11.6517 11.6517 12.9211 12.9211 13.0960 13.0960 14.6651 14.6651 14.8322 14.8322 16.2488 16.2488 k = 0.1348 0.6294 0.4895 ( 6687 PWs) bands (ev): -79.8916 -79.8916 -79.8903 -79.8903 -45.5825 -45.5825 -45.5793 -45.5793 -43.9152 -43.9152 -43.9096 -43.9096 -43.7639 -43.7639 -43.7632 -43.7632 -22.4278 -22.4278 -5.4204 -5.4204 -4.3944 -4.3944 -4.1653 -4.1653 3.7126 3.7126 4.0368 4.0368 7.4820 7.4820 8.4678 8.4678 9.0432 9.0432 9.1404 9.1404 9.2504 9.2504 9.6515 9.6515 10.0363 10.0363 10.2712 10.2712 10.3517 10.3517 10.4131 10.4131 10.6966 10.6966 11.5801 11.5801 12.9232 12.9232 13.1763 13.1763 14.5765 14.5765 14.8164 14.8164 16.2034 16.2034 k = 0.1180 0.6254 0.4940 ( 6691 PWs) bands (ev): -79.8917 -79.8917 -79.8903 -79.8903 -45.5823 -45.5823 -45.5795 -45.5795 -43.9149 -43.9149 -43.9100 -43.9100 -43.7638 -43.7638 -43.7633 -43.7633 -22.4277 -22.4277 -5.4207 -5.4207 -4.3948 -4.3948 -4.1649 -4.1649 3.7030 3.7030 4.0476 4.0476 7.5210 7.5210 8.4160 8.4160 9.0367 9.0367 9.1641 9.1641 9.2588 9.2588 9.6333 9.6333 10.0490 10.0490 10.2649 10.2649 10.3468 10.3468 10.4080 10.4080 10.7170 10.7170 11.5134 11.5134 12.9249 12.9249 13.2578 13.2578 14.4868 14.4868 14.8030 14.8030 16.1621 16.1621 k = 0.1011 0.6214 0.4985 ( 6703 PWs) bands (ev): -79.8919 -79.8919 -79.8906 -79.8906 -45.5821 -45.5821 -45.5798 -45.5798 -43.9145 -43.9145 -43.9104 -43.9104 -43.7638 -43.7638 -43.7634 -43.7634 -22.4277 -22.4277 -5.4209 -5.4209 -4.3950 -4.3950 -4.1646 -4.1646 3.6947 3.6947 4.0567 4.0567 7.5622 7.5622 8.3634 8.3634 9.0308 9.0308 9.1857 9.1857 9.2674 9.2674 9.6148 9.6148 10.0612 10.0612 10.2573 10.2573 10.3434 10.3434 10.4025 10.4025 10.7383 10.7383 11.4514 11.4514 12.9259 12.9259 13.3405 13.3405 14.3967 14.3967 14.7920 14.7920 16.1257 16.1257 k = 0.0843 0.6174 0.5031 ( 6707 PWs) bands (ev): -79.8920 -79.8920 -79.8906 -79.8906 -45.5819 -45.5819 -45.5801 -45.5801 -43.9142 -43.9142 -43.9108 -43.9108 -43.7638 -43.7638 -43.7635 -43.7635 -22.4277 -22.4277 -5.4211 -5.4211 -4.3953 -4.3953 -4.1643 -4.1643 3.6876 3.6876 4.0642 4.0642 7.6048 7.6048 8.3113 8.3113 9.0259 9.0259 9.2046 9.2046 9.2766 9.2766 9.5969 9.5969 10.0729 10.0729 10.2495 10.2495 10.3416 10.3416 10.3975 10.3975 10.7602 10.7602 11.3956 11.3956 12.9268 12.9268 13.4245 13.4245 14.3067 14.3067 14.7831 14.7831 16.0944 16.0944 k = 0.0674 0.6135 0.5076 ( 6707 PWs) bands (ev): -79.8918 -79.8918 -79.8908 -79.8908 -45.5818 -45.5818 -45.5802 -45.5802 -43.9138 -43.9138 -43.9111 -43.9111 -43.7638 -43.7638 -43.7635 -43.7635 -22.4276 -22.4276 -5.4213 -5.4213 -4.3955 -4.3955 -4.1640 -4.1640 3.6819 3.6819 4.0702 4.0702 7.6473 7.6473 8.2610 8.2610 9.0220 9.0220 9.2198 9.2198 9.2864 9.2864 9.5802 9.5802 10.0834 10.0834 10.2418 10.2418 10.3409 10.3409 10.3934 10.3934 10.7819 10.7819 11.3467 11.3467 12.9276 12.9276 13.5093 13.5093 14.2171 14.2171 14.7761 14.7761 16.0682 16.0682 k = 0.0506 0.6095 0.5121 ( 6702 PWs) bands (ev): -79.8916 -79.8916 -79.8909 -79.8909 -45.5815 -45.5815 -45.5804 -45.5804 -43.9135 -43.9135 -43.9114 -43.9114 -43.7637 -43.7637 -43.7635 -43.7635 -22.4276 -22.4276 -5.4214 -5.4214 -4.3956 -4.3956 -4.1638 -4.1638 3.6774 3.6774 4.0748 4.0748 7.6876 7.6876 8.2146 8.2146 9.0189 9.0189 9.2311 9.2311 9.2968 9.2968 9.5652 9.5652 10.0931 10.0931 10.2346 10.2346 10.3411 10.3411 10.3899 10.3899 10.8023 10.8023 11.3057 11.3057 12.9282 12.9282 13.5949 13.5949 14.1276 14.1276 14.7711 14.7711 16.0477 16.0477 k = 0.0337 0.6055 0.5166 ( 6702 PWs) bands (ev): -79.8913 -79.8913 -79.8911 -79.8911 -45.5814 -45.5814 -45.5805 -45.5805 -43.9132 -43.9132 -43.9117 -43.9117 -43.7637 -43.7637 -43.7635 -43.7635 -22.4276 -22.4276 -5.4215 -5.4215 -4.3957 -4.3957 -4.1637 -4.1637 3.6742 3.6742 4.0780 4.0780 7.7226 7.7226 8.1753 8.1753 9.0167 9.0167 9.2385 9.2385 9.3061 9.3061 9.5531 9.5531 10.1004 10.1004 10.2283 10.2283 10.3416 10.3416 10.3874 10.3874 10.8190 10.8190 11.2739 11.2739 12.9285 12.9285 13.6810 13.6810 14.0390 14.0390 14.7674 14.7674 16.0329 16.0329 k = 0.0169 0.6015 0.5211 ( 6706 PWs) bands (ev): -79.8914 -79.8914 -79.8912 -79.8912 -45.5812 -45.5812 -45.5808 -45.5808 -43.9128 -43.9128 -43.9121 -43.9121 -43.7637 -43.7637 -43.7636 -43.7636 -22.4276 -22.4276 -5.4216 -5.4216 -4.3958 -4.3958 -4.1636 -4.1636 3.6723 3.6723 4.0799 4.0799 7.7473 7.7473 8.1479 8.1479 9.0153 9.0153 9.2426 9.2426 9.3128 9.3128 9.5450 9.5450 10.1054 10.1054 10.2240 10.2240 10.3420 10.3420 10.3852 10.3852 10.8300 10.8300 11.2534 11.2534 12.9286 12.9286 13.7663 13.7663 13.9520 13.9520 14.7653 14.7653 16.0239 16.0239 k = 0.0000 0.5976 0.5257 ( 6706 PWs) bands (ev): -79.8913 -79.8913 -79.8913 -79.8913 -45.5810 -45.5810 -45.5810 -45.5810 -43.9124 -43.9124 -43.9124 -43.9124 -43.7637 -43.7637 -43.7637 -43.7637 -22.4276 -22.4276 -5.4216 -5.4216 -4.3958 -4.3958 -4.1636 -4.1636 3.6716 3.6716 4.0805 4.0805 7.7564 7.7564 8.1379 8.1379 9.0149 9.0149 9.2439 9.2439 9.3152 9.3152 9.5421 9.5421 10.1071 10.1071 10.2226 10.2226 10.3422 10.3422 10.3844 10.3844 10.8341 10.8341 11.2465 11.2465 12.9287 12.9287 13.8304 13.8304 13.8873 13.8873 14.7646 14.7646 16.0209 16.0209 k = 0.0000 0.5976 0.5257 ( 6706 PWs) bands (ev): -79.8913 -79.8913 -79.8913 -79.8913 -45.5810 -45.5810 -45.5810 -45.5810 -43.9124 -43.9124 -43.9124 -43.9124 -43.7637 -43.7637 -43.7637 -43.7637 -22.4276 -22.4276 -5.4216 -5.4216 -4.3958 -4.3958 -4.1636 -4.1636 3.6716 3.6716 4.0805 4.0805 7.7564 7.7564 8.1379 8.1379 9.0149 9.0149 9.2439 9.2439 9.3152 9.3152 9.5421 9.5421 10.1071 10.1071 10.2226 10.2226 10.3422 10.3422 10.3844 10.3844 10.8341 10.8341 11.2465 11.2465 12.9287 12.9287 13.8304 13.8304 13.8873 13.8873 14.7646 14.7646 16.0209 16.0209 k = 0.0063 0.5860 0.5388 ( 6712 PWs) bands (ev): -79.8914 -79.8914 -79.8914 -79.8914 -45.5810 -45.5810 -45.5810 -45.5810 -43.9125 -43.9125 -43.9125 -43.9125 -43.7637 -43.7637 -43.7637 -43.7637 -22.4276 -22.4276 -5.4216 -5.4216 -4.3958 -4.3958 -4.1638 -4.1638 3.6719 3.6719 4.0816 4.0816 7.7568 7.7568 8.1357 8.1357 9.0151 9.0151 9.2443 9.2443 9.3157 9.3157 9.5425 9.5425 10.1062 10.1062 10.2187 10.2187 10.3453 10.3453 10.3861 10.3861 10.8328 10.8328 11.2467 11.2467 12.9246 12.9246 13.8271 13.8271 13.8870 13.8870 14.7509 14.7509 16.0241 16.0241 k = 0.0125 0.5744 0.5519 ( 6706 PWs) bands (ev): -79.8913 -79.8913 -79.8913 -79.8913 -45.5810 -45.5810 -45.5810 -45.5810 -43.9125 -43.9125 -43.9125 -43.9125 -43.7637 -43.7637 -43.7636 -43.7636 -22.4275 -22.4275 -5.4217 -5.4217 -4.3957 -4.3957 -4.1646 -4.1646 3.6728 3.6728 4.0851 4.0851 7.7579 7.7579 8.1292 8.1292 9.0166 9.0166 9.2458 9.2458 9.3176 9.3176 9.5439 9.5439 10.1040 10.1040 10.2097 10.2097 10.3542 10.3542 10.3917 10.3917 10.8293 10.8293 11.2477 11.2477 12.9135 12.9135 13.8175 13.8175 13.8862 13.8862 14.7122 14.7122 16.0338 16.0338 k = 0.0187 0.5629 0.5651 ( 6704 PWs) bands (ev): -79.8913 -79.8913 -79.8913 -79.8913 -45.5810 -45.5810 -45.5810 -45.5810 -43.9125 -43.9125 -43.9125 -43.9125 -43.7636 -43.7636 -43.7636 -43.7636 -22.4274 -22.4274 -5.4218 -5.4218 -4.3957 -4.3957 -4.1658 -4.1658 3.6742 3.6742 4.0908 4.0908 7.7596 7.7596 8.1185 8.1185 9.0188 9.0188 9.2477 9.2477 9.3207 9.3207 9.5459 9.5459 10.1000 10.1000 10.1969 10.1969 10.3667 10.3667 10.4009 10.4009 10.8238 10.8238 11.2492 11.2492 12.8949 12.8949 13.8013 13.8013 13.8841 13.8841 14.6524 14.6524 16.0501 16.0501 k = 0.0250 0.5513 0.5782 ( 6706 PWs) bands (ev): -79.8913 -79.8913 -79.8913 -79.8913 -45.5810 -45.5810 -45.5810 -45.5810 -43.9125 -43.9125 -43.9125 -43.9125 -43.7636 -43.7636 -43.7636 -43.7636 -22.4272 -22.4272 -5.4220 -5.4220 -4.3956 -4.3956 -4.1674 -4.1674 3.6762 3.6762 4.0989 4.0989 7.7619 7.7619 8.1039 8.1039 9.0216 9.0216 9.2500 9.2500 9.3254 9.3254 9.5487 9.5487 10.0947 10.0947 10.1820 10.1820 10.3805 10.3805 10.4128 10.4128 10.8162 10.8162 11.2512 11.2512 12.8696 12.8696 13.7786 13.7786 13.8798 13.8798 14.5783 14.5783 16.0735 16.0735 k = 0.0312 0.5398 0.5914 ( 6700 PWs) bands (ev): -79.8912 -79.8912 -79.8912 -79.8912 -45.5810 -45.5810 -45.5810 -45.5810 -43.9125 -43.9125 -43.9125 -43.9125 -43.7636 -43.7636 -43.7635 -43.7635 -22.4270 -22.4270 -5.4222 -5.4222 -4.3955 -4.3955 -4.1695 -4.1695 3.6788 3.6788 4.1091 4.1091 7.7645 7.7645 8.0857 8.0857 9.0252 9.0252 9.2527 9.2527 9.3320 9.3320 9.5523 9.5523 10.0887 10.0887 10.1667 10.1667 10.3953 10.3953 10.4277 10.4277 10.8068 10.8068 11.2540 11.2540 12.8387 12.8387 13.7494 13.7494 13.8717 13.8717 14.4964 14.4964 16.1042 16.1042 k = 0.0375 0.5282 0.6045 ( 6698 PWs) bands (ev): -79.8912 -79.8912 -79.8912 -79.8912 -45.5810 -45.5810 -45.5810 -45.5810 -43.9126 -43.9126 -43.9125 -43.9125 -43.7636 -43.7636 -43.7635 -43.7635 -22.4268 -22.4268 -5.4224 -5.4224 -4.3954 -4.3954 -4.1720 -4.1720 3.6819 3.6819 4.1217 4.1217 7.7675 7.7675 8.0641 8.0641 9.0292 9.0292 9.2553 9.2553 9.3406 9.3406 9.5566 9.5566 10.0822 10.0822 10.1510 10.1510 10.4102 10.4102 10.4441 10.4441 10.7954 10.7954 11.2570 11.2570 12.8025 12.8025 13.7139 13.7139 13.8568 13.8568 14.4138 14.4138 16.1421 16.1421 k = 0.0437 0.5166 0.6176 ( 6700 PWs) bands (ev): -79.8912 -79.8912 -79.8912 -79.8912 -45.5810 -45.5810 -45.5810 -45.5810 -43.9126 -43.9126 -43.9125 -43.9125 -43.7635 -43.7635 -43.7634 -43.7634 -22.4265 -22.4265 -5.4228 -5.4228 -4.3954 -4.3954 -4.1748 -4.1748 3.6854 3.6854 4.1364 4.1364 7.7705 7.7705 8.0397 8.0397 9.0336 9.0336 9.2578 9.2578 9.3509 9.3509 9.5612 9.5612 10.0753 10.0753 10.1356 10.1356 10.4251 10.4251 10.4615 10.4615 10.7823 10.7823 11.2603 11.2603 12.7617 12.7617 13.6721 13.6721 13.8311 13.8311 14.3377 14.3377 16.1873 16.1873 k = 0.0500 0.5051 0.6308 ( 6690 PWs) bands (ev): -79.8910 -79.8910 -79.8910 -79.8910 -45.5810 -45.5810 -45.5809 -45.5809 -43.9126 -43.9126 -43.9125 -43.9125 -43.7635 -43.7635 -43.7633 -43.7633 -22.4262 -22.4262 -5.4232 -5.4232 -4.3953 -4.3953 -4.1780 -4.1780 3.6895 3.6895 4.1533 4.1533 7.7735 7.7735 8.0126 8.0126 9.0385 9.0385 9.2605 9.2605 9.3633 9.3633 9.5664 9.5664 10.0686 10.0686 10.1215 10.1215 10.4404 10.4404 10.4798 10.4798 10.7681 10.7681 11.2644 11.2644 12.7175 12.7175 13.6249 13.6249 13.7903 13.7903 14.2753 14.2753 16.2393 16.2393 k = 0.0563 0.4935 0.6439 ( 6700 PWs) bands (ev): -79.8912 -79.8912 -79.8912 -79.8912 -45.5810 -45.5810 -45.5810 -45.5810 -43.9127 -43.9127 -43.9126 -43.9126 -43.7635 -43.7635 -43.7633 -43.7633 -22.4258 -22.4258 -5.4236 -5.4236 -4.3954 -4.3954 -4.1814 -4.1814 3.6941 3.6941 4.1724 4.1724 7.7760 7.7760 7.9833 7.9833 9.0433 9.0433 9.2630 9.2630 9.3769 9.3769 9.5712 9.5712 10.0615 10.0615 10.1076 10.1076 10.4549 10.4549 10.4979 10.4979 10.7524 10.7524 11.2684 11.2684 12.6700 12.6700 13.5718 13.5718 13.7314 13.7314 14.2303 14.2303 16.2974 16.2974 k = 0.0625 0.4820 0.6571 ( 6694 PWs) bands (ev): -79.8911 -79.8911 -79.8911 -79.8911 -45.5810 -45.5810 -45.5810 -45.5810 -43.9128 -43.9128 -43.9126 -43.9126 -43.7634 -43.7634 -43.7632 -43.7632 -22.4254 -22.4254 -5.4241 -5.4241 -4.3955 -4.3955 -4.1851 -4.1851 3.6990 3.6990 4.1936 4.1936 7.7779 7.7779 7.9522 7.9522 9.0488 9.0488 9.2664 9.2664 9.3918 9.3918 9.5762 9.5762 10.0553 10.0553 10.0958 10.0958 10.4695 10.4695 10.5158 10.5158 10.7366 10.7366 11.2730 11.2730 12.6203 12.6203 13.5143 13.5143 13.6566 13.6566 14.2033 14.2033 16.3611 16.3611 k = 0.0688 0.4704 0.6702 ( 6696 PWs) bands (ev): -79.8911 -79.8911 -79.8911 -79.8911 -45.5811 -45.5811 -45.5810 -45.5810 -43.9128 -43.9128 -43.9127 -43.9127 -43.7634 -43.7634 -43.7632 -43.7632 -22.4250 -22.4250 -5.4247 -5.4247 -4.3957 -4.3957 -4.1888 -4.1888 3.7044 3.7044 4.2168 4.2168 7.7787 7.7787 7.9195 7.9195 9.0544 9.0544 9.2702 9.2702 9.4079 9.4079 9.5811 9.5811 10.0489 10.0489 10.0849 10.0849 10.4825 10.4825 10.5337 10.5337 10.7203 10.7203 11.2775 11.2775 12.5690 12.5690 13.4527 13.4527 13.5699 13.5699 14.1899 14.1899 16.4290 16.4290 k = 0.0750 0.4588 0.6834 ( 6692 PWs) bands (ev): -79.8910 -79.8910 -79.8910 -79.8910 -45.5810 -45.5810 -45.5810 -45.5810 -43.9129 -43.9129 -43.9127 -43.9127 -43.7633 -43.7633 -43.7631 -43.7631 -22.4245 -22.4245 -5.4254 -5.4254 -4.3960 -4.3960 -4.1927 -4.1927 3.7101 3.7101 4.2420 4.2420 7.7785 7.7785 7.8857 7.8857 9.0605 9.0605 9.2751 9.2751 9.4243 9.4243 9.5859 9.5859 10.0434 10.0434 10.0760 10.0760 10.4941 10.4941 10.5505 10.5505 10.7051 10.7051 11.2824 11.2824 12.5161 12.5161 13.3877 13.3877 13.4770 13.4770 14.1866 14.1866 16.5006 16.5006 k = 0.0813 0.4473 0.6965 ( 6694 PWs) bands (ev): -79.8911 -79.8911 -79.8911 -79.8911 -45.5811 -45.5811 -45.5810 -45.5810 -43.9129 -43.9129 -43.9128 -43.9128 -43.7632 -43.7632 -43.7630 -43.7630 -22.4240 -22.4240 -5.4262 -5.4262 -4.3965 -4.3965 -4.1966 -4.1966 3.7162 3.7162 4.2691 4.2691 7.7766 7.7766 7.8509 7.8509 9.0670 9.0670 9.2808 9.2808 9.4410 9.4410 9.5903 9.5903 10.0384 10.0384 10.0686 10.0686 10.5025 10.5025 10.5665 10.5665 10.6915 10.6915 11.2871 11.2871 12.4622 12.4622 13.3191 13.3191 13.3816 13.3816 14.1894 14.1894 16.5744 16.5744 k = 0.0875 0.4357 0.7096 ( 6694 PWs) bands (ev): -79.8911 -79.8911 -79.8911 -79.8911 -45.5811 -45.5811 -45.5810 -45.5810 -43.9130 -43.9130 -43.9128 -43.9128 -43.7632 -43.7632 -43.7630 -43.7630 -22.4235 -22.4235 -5.4270 -5.4270 -4.3971 -4.3971 -4.2005 -4.2005 3.7225 3.7225 4.2981 4.2981 7.7730 7.7730 7.8154 7.8154 9.0740 9.0740 9.2879 9.2879 9.4580 9.4580 9.5943 9.5943 10.0343 10.0343 10.0627 10.0627 10.5064 10.5064 10.5819 10.5819 10.6814 10.6814 11.2918 11.2918 12.4077 12.4077 13.2463 13.2463 13.2882 13.2882 14.1961 14.1961 16.6494 16.6494 k = 0.0938 0.4242 0.7228 ( 6704 PWs) bands (ev): -79.8912 -79.8912 -79.8912 -79.8912 -45.5812 -45.5812 -45.5811 -45.5811 -43.9131 -43.9131 -43.9129 -43.9129 -43.7632 -43.7632 -43.7629 -43.7629 -22.4230 -22.4230 -5.4279 -5.4279 -4.3980 -4.3980 -4.2042 -4.2042 3.7291 3.7291 4.3289 4.3289 7.7666 7.7666 7.7802 7.7802 9.0815 9.0815 9.2962 9.2962 9.4742 9.4742 9.5976 9.5976 10.0305 10.0305 10.0583 10.0583 10.5052 10.5052 10.5957 10.5957 10.6756 10.6756 11.2962 11.2962 12.3524 12.3524 13.1665 13.1665 13.2017 13.2017 14.2047 14.2047 16.7245 16.7245 k = 0.1000 0.4126 0.7359 ( 6704 PWs) bands (ev): -79.8912 -79.8912 -79.8912 -79.8912 -45.5812 -45.5812 -45.5811 -45.5811 -43.9132 -43.9132 -43.9130 -43.9130 -43.7631 -43.7631 -43.7628 -43.7628 -22.4224 -22.4224 -5.4289 -5.4289 -4.3990 -4.3990 -4.2078 -4.2078 3.7358 3.7358 4.3614 4.3614 7.7422 7.7422 7.7608 7.7608 9.0898 9.0898 9.3059 9.3059 9.4904 9.4904 9.6006 9.6006 10.0282 10.0282 10.0555 10.0555 10.4979 10.4979 10.6092 10.6092 10.6751 10.6751 11.3007 11.3007 12.2973 12.2973 13.0804 13.0804 13.1240 13.1240 14.2142 14.2142 16.7987 16.7987 k = 0.1062 0.4010 0.7491 ( 6702 PWs) bands (ev): -79.8912 -79.8912 -79.8912 -79.8912 -45.5812 -45.5812 -45.5811 -45.5811 -43.9133 -43.9133 -43.9130 -43.9130 -43.7630 -43.7630 -43.7627 -43.7627 -22.4218 -22.4218 -5.4300 -5.4300 -4.4003 -4.4003 -4.2113 -4.2113 3.7428 3.7428 4.3954 4.3954 7.7067 7.7067 7.7503 7.7503 9.0986 9.0986 9.3172 9.3172 9.5059 9.5059 9.6028 9.6028 10.0272 10.0272 10.0543 10.0543 10.4856 10.4856 10.6223 10.6223 10.6790 10.6790 11.3048 11.3048 12.2422 12.2422 12.9937 12.9937 13.0504 13.0504 14.2234 14.2234 16.8708 16.8708 k = 0.1125 0.3895 0.7622 ( 6698 PWs) bands (ev): -79.8911 -79.8911 -79.8911 -79.8911 -45.5812 -45.5812 -45.5811 -45.5811 -43.9133 -43.9133 -43.9131 -43.9131 -43.7629 -43.7629 -43.7627 -43.7627 -22.4213 -22.4213 -5.4311 -5.4311 -4.4018 -4.4018 -4.2145 -4.2145 3.7498 3.7498 4.4310 4.4310 7.6710 7.6710 7.7375 7.7375 9.1083 9.1083 9.3299 9.3299 9.5207 9.5207 9.6049 9.6049 10.0272 10.0272 10.0539 10.0539 10.4688 10.4688 10.6349 10.6349 10.6863 10.6863 11.3088 11.3088 12.1874 12.1874 12.9099 12.9099 12.9795 12.9795 14.2314 14.2314 16.9400 16.9400 k = 0.1187 0.3779 0.7753 ( 6696 PWs) bands (ev): -79.8911 -79.8911 -79.8911 -79.8911 -45.5812 -45.5812 -45.5811 -45.5811 -43.9134 -43.9134 -43.9131 -43.9131 -43.7629 -43.7629 -43.7626 -43.7626 -22.4207 -22.4207 -5.4323 -5.4323 -4.4035 -4.4035 -4.2174 -4.2174 3.7569 3.7569 4.4679 4.4679 7.6357 7.6357 7.7222 7.7222 9.1188 9.1188 9.3436 9.3436 9.5342 9.5342 9.6065 9.6065 10.0285 10.0285 10.0549 10.0549 10.4495 10.4495 10.6467 10.6467 10.6953 10.6953 11.3124 11.3124 12.1326 12.1326 12.8300 12.8300 12.9099 12.9099 14.2374 14.2374 17.0053 17.0053 k = 0.1250 0.3664 0.7885 ( 6692 PWs) bands (ev): -79.8910 -79.8910 -79.8910 -79.8910 -45.5812 -45.5812 -45.5811 -45.5811 -43.9134 -43.9134 -43.9132 -43.9132 -43.7628 -43.7628 -43.7625 -43.7625 -22.4201 -22.4201 -5.4336 -5.4336 -4.4054 -4.4054 -4.2200 -4.2200 3.7640 3.7640 4.5061 4.5061 7.6011 7.6011 7.7042 7.7042 9.1301 9.1301 9.3583 9.3583 9.5466 9.5466 9.6083 9.6083 10.0307 10.0307 10.0565 10.0565 10.4283 10.4283 10.6586 10.6586 10.7055 10.7055 11.3153 11.3153 12.0785 12.0785 12.7547 12.7547 12.8421 12.8421 14.2407 14.2407 17.0411 17.0411 k = 0.1313 0.3548 0.8016 ( 6684 PWs) bands (ev): -79.8908 -79.8908 -79.8908 -79.8908 -45.5812 -45.5812 -45.5811 -45.5811 -43.9135 -43.9135 -43.9132 -43.9132 -43.7627 -43.7627 -43.7624 -43.7624 -22.4195 -22.4195 -5.4350 -5.4350 -4.4075 -4.4075 -4.2223 -4.2223 3.7711 3.7711 4.5453 4.5453 7.5671 7.5671 7.6838 7.6838 9.1424 9.1424 9.3740 9.3740 9.5576 9.5576 9.6104 9.6104 10.0334 10.0334 10.0588 10.0588 10.4060 10.4060 10.6706 10.6706 10.7167 10.7167 11.3179 11.3179 12.0248 12.0248 12.6848 12.6848 12.7768 12.7768 14.2406 14.2406 16.9955 16.9955 k = 0.1375 0.3432 0.8148 ( 6678 PWs) bands (ev): -79.8907 -79.8907 -79.8907 -79.8907 -45.5812 -45.5812 -45.5811 -45.5811 -43.9135 -43.9135 -43.9133 -43.9133 -43.7626 -43.7626 -43.7623 -43.7623 -22.4189 -22.4189 -5.4364 -5.4364 -4.4099 -4.4099 -4.2243 -4.2243 3.7781 3.7781 4.5855 4.5855 7.5341 7.5341 7.6609 7.6609 9.1555 9.1555 9.3902 9.3902 9.5665 9.5665 9.6130 9.6130 10.0369 10.0369 10.0617 10.0617 10.3831 10.3831 10.6823 10.6823 10.7282 10.7282 11.3200 11.3200 11.9713 11.9713 12.6202 12.6202 12.7139 12.7139 14.2367 14.2367 16.9585 16.9585 k = 0.1437 0.3317 0.8279 ( 6678 PWs) bands (ev): -79.8907 -79.8907 -79.8907 -79.8907 -45.5812 -45.5812 -45.5811 -45.5811 -43.9136 -43.9136 -43.9133 -43.9133 -43.7625 -43.7625 -43.7622 -43.7622 -22.4183 -22.4183 -5.4379 -5.4379 -4.4123 -4.4123 -4.2260 -4.2260 3.7849 3.7849 4.6264 4.6264 7.5022 7.5022 7.6356 7.6356 9.1695 9.1695 9.4064 9.4064 9.5737 9.5737 9.6166 9.6166 10.0403 10.0403 10.0647 10.0647 10.3599 10.3599 10.6939 10.6939 10.7395 10.7395 11.3210 11.3210 11.9183 11.9183 12.5604 12.5604 12.6537 12.6537 14.2287 14.2287 16.9318 16.9318 k = 0.1500 0.3201 0.8411 ( 6676 PWs) bands (ev): -79.8907 -79.8907 -79.8907 -79.8907 -45.5812 -45.5812 -45.5811 -45.5811 -43.9137 -43.9137 -43.9134 -43.9134 -43.7624 -43.7624 -43.7621 -43.7621 -22.4177 -22.4177 -5.4394 -5.4394 -4.4149 -4.4149 -4.2274 -4.2274 3.7917 3.7917 4.6678 4.6678 7.4714 7.4714 7.6082 7.6082 9.1844 9.1844 9.4225 9.4225 9.5790 9.5790 9.6211 9.6211 10.0441 10.0441 10.0681 10.0681 10.3368 10.3368 10.7058 10.7058 10.7509 10.7509 11.3213 11.3213 11.8659 11.8659 12.5059 12.5059 12.5966 12.5966 14.2164 14.2164 16.9159 16.9159 k = 0.1562 0.3086 0.8542 ( 6676 PWs) bands (ev): -79.8907 -79.8907 -79.8907 -79.8907 -45.5812 -45.5812 -45.5811 -45.5811 -43.9137 -43.9137 -43.9134 -43.9134 -43.7624 -43.7624 -43.7620 -43.7620 -22.4172 -22.4172 -5.4409 -5.4409 -4.4176 -4.4176 -4.2285 -4.2285 3.7982 3.7982 4.7095 4.7095 7.4420 7.4420 7.5791 7.5791 9.2003 9.2003 9.4380 9.4380 9.5830 9.5830 9.6263 9.6263 10.0476 10.0476 10.0715 10.0715 10.3139 10.3139 10.7181 10.7181 10.7625 10.7625 11.3207 11.3207 11.8139 11.8139 12.4570 12.4570 12.5433 12.5433 14.1998 14.1998 16.9110 16.9110 k = 0.1625 0.2970 0.8673 ( 6682 PWs) bands (ev): -79.8908 -79.8908 -79.8908 -79.8908 -45.5813 -45.5813 -45.5812 -45.5812 -43.9138 -43.9138 -43.9135 -43.9135 -43.7623 -43.7623 -43.7620 -43.7620 -22.4167 -22.4167 -5.4424 -5.4424 -4.4203 -4.4203 -4.2293 -4.2293 3.8045 3.8045 4.7513 4.7513 7.4140 7.4140 7.5482 7.5482 9.2168 9.2168 9.4524 9.4524 9.5862 9.5862 9.6313 9.6313 10.0510 10.0510 10.0748 10.0748 10.2915 10.2915 10.7304 10.7304 10.7741 10.7741 11.3191 11.3191 11.7622 11.7622 12.4126 12.4126 12.4933 12.4933 14.1794 14.1794 16.9170 16.9170 k = 0.1688 0.2854 0.8805 ( 6686 PWs) bands (ev): -79.8908 -79.8908 -79.8908 -79.8908 -45.5813 -45.5813 -45.5812 -45.5812 -43.9139 -43.9139 -43.9136 -43.9136 -43.7623 -43.7623 -43.7619 -43.7619 -22.4161 -22.4161 -5.4439 -5.4439 -4.4230 -4.4230 -4.2299 -4.2299 3.8105 3.8105 4.7929 4.7929 7.3875 7.3875 7.5162 7.5162 9.2341 9.2341 9.4657 9.4657 9.5891 9.5891 9.6363 9.6363 10.0541 10.0541 10.0777 10.0777 10.2699 10.2699 10.7437 10.7437 10.7864 10.7864 11.3166 11.3166 11.7114 11.7114 12.3730 12.3730 12.4469 12.4469 14.1555 14.1555 16.9336 16.9336 k = 0.1750 0.2739 0.8936 ( 6682 PWs) bands (ev): -79.8908 -79.8908 -79.8908 -79.8908 -45.5813 -45.5813 -45.5812 -45.5812 -43.9140 -43.9140 -43.9137 -43.9137 -43.7622 -43.7622 -43.7618 -43.7618 -22.4156 -22.4156 -5.4454 -5.4454 -4.4257 -4.4257 -4.2303 -4.2303 3.8162 3.8162 4.8339 4.8339 7.3627 7.3627 7.4835 7.4835 9.2523 9.2523 9.4773 9.4773 9.5927 9.5927 9.6409 9.6409 10.0570 10.0570 10.0804 10.0804 10.2491 10.2491 10.7580 10.7580 10.7995 10.7995 11.3134 11.3134 11.6617 11.6617 12.3384 12.3384 12.4050 12.4050 14.1288 14.1288 16.9604 16.9604 k = 0.1812 0.2623 0.9068 ( 6688 PWs) bands (ev): -79.8909 -79.8909 -79.8909 -79.8909 -45.5813 -45.5813 -45.5813 -45.5813 -43.9140 -43.9140 -43.9137 -43.9137 -43.7622 -43.7622 -43.7618 -43.7618 -22.4152 -22.4152 -5.4468 -5.4468 -4.4283 -4.4283 -4.2306 -4.2306 3.8215 3.8215 4.8740 4.8740 7.3395 7.3395 7.4503 7.4503 9.2710 9.2710 9.4870 9.4870 9.5963 9.5963 9.6445 9.6445 10.0595 10.0595 10.0824 10.0824 10.2291 10.2291 10.7728 10.7728 10.8131 10.8131 11.3091 11.3091 11.6126 11.6126 12.3074 12.3074 12.3664 12.3664 14.0998 14.0998 16.9965 16.9965 k = 0.1875 0.2508 0.9199 ( 6686 PWs) bands (ev): -79.8908 -79.8908 -79.8908 -79.8908 -45.5814 -45.5814 -45.5813 -45.5813 -43.9141 -43.9141 -43.9138 -43.9138 -43.7621 -43.7621 -43.7617 -43.7617 -22.4147 -22.4147 -5.4482 -5.4482 -4.4308 -4.4308 -4.2307 -4.2307 3.8265 3.8265 4.9128 4.9128 7.3180 7.3180 7.4173 7.4173 9.2901 9.2901 9.4948 9.4948 9.6004 9.6004 9.6475 9.6475 10.0616 10.0616 10.0841 10.0841 10.2100 10.2100 10.7891 10.7891 10.8282 10.8282 11.3041 11.3041 11.5653 11.5653 12.2809 12.2809 12.3322 12.3322 14.0695 14.0695 17.0412 17.0412 k = 0.1938 0.2392 0.9330 ( 6684 PWs) bands (ev): -79.8908 -79.8908 -79.8908 -79.8908 -45.5814 -45.5814 -45.5813 -45.5813 -43.9141 -43.9141 -43.9138 -43.9138 -43.7621 -43.7621 -43.7617 -43.7617 -22.4143 -22.4143 -5.4496 -5.4496 -4.4331 -4.4331 -4.2307 -4.2307 3.8311 3.8311 4.9500 4.9500 7.2984 7.2984 7.3852 7.3852 9.3097 9.3097 9.5009 9.5009 9.6049 9.6049 9.6497 9.6497 10.0632 10.0632 10.0855 10.0855 10.1921 10.1921 10.8054 10.8054 10.8433 10.8433 11.2980 11.2980 11.5193 11.5193 12.2580 12.2580 12.3019 12.3019 14.0389 14.0389 17.0931 17.0931 k = 0.2000 0.2276 0.9462 ( 6690 PWs) bands (ev): -79.8909 -79.8909 -79.8909 -79.8909 -45.5814 -45.5814 -45.5813 -45.5813 -43.9142 -43.9142 -43.9139 -43.9139 -43.7621 -43.7621 -43.7616 -43.7616 -22.4140 -22.4140 -5.4508 -5.4508 -4.4353 -4.4353 -4.2306 -4.2306 3.8352 3.8352 4.9850 4.9850 7.2806 7.2806 7.3542 7.3542 9.3292 9.3292 9.5054 9.5054 9.6094 9.6094 9.6507 9.6507 10.0639 10.0639 10.0862 10.0862 10.1750 10.1750 10.8226 10.8226 10.8591 10.8591 11.2912 11.2912 11.4748 11.4748 12.2382 12.2382 12.2749 12.2749 14.0087 14.0087 17.1512 17.1512 k = 0.2062 0.2161 0.9593 ( 6698 PWs) bands (ev): -79.8910 -79.8910 -79.8910 -79.8910 -45.5814 -45.5814 -45.5814 -45.5814 -43.9143 -43.9143 -43.9139 -43.9139 -43.7620 -43.7620 -43.7616 -43.7616 -22.4136 -22.4136 -5.4519 -5.4519 -4.4373 -4.4373 -4.2305 -4.2305 3.8389 3.8389 5.0175 5.0175 7.2647 7.2647 7.3250 7.3250 9.3483 9.3483 9.5086 9.5086 9.6133 9.6133 9.6506 9.6506 10.0641 10.0641 10.0868 10.0868 10.1594 10.1594 10.8402 10.8402 10.8752 10.8752 11.2835 11.2835 11.4324 11.4324 12.2215 12.2215 12.2515 12.2515 13.9797 13.9797 17.2142 17.2142 k = 0.2125 0.2045 0.9725 ( 6696 PWs) bands (ev): -79.8910 -79.8910 -79.8910 -79.8910 -45.5814 -45.5814 -45.5814 -45.5814 -43.9143 -43.9143 -43.9140 -43.9140 -43.7620 -43.7620 -43.7616 -43.7616 -22.4134 -22.4134 -5.4529 -5.4529 -4.4390 -4.4390 -4.2303 -4.2303 3.8422 3.8422 5.0470 5.0470 7.2507 7.2507 7.2985 7.2985 9.3670 9.3670 9.5109 9.5109 9.6170 9.6170 9.6496 9.6496 10.0641 10.0641 10.0877 10.0877 10.1454 10.1454 10.8588 10.8588 10.8915 10.8915 11.2755 11.2755 11.3928 11.3928 12.2081 12.2081 12.2320 12.2320 13.9530 13.9530 17.2808 17.2808 k = 0.2188 0.1930 0.9856 ( 6698 PWs) bands (ev): -79.8910 -79.8910 -79.8910 -79.8910 -45.5815 -45.5815 -45.5814 -45.5814 -43.9143 -43.9143 -43.9140 -43.9140 -43.7620 -43.7620 -43.7616 -43.7616 -22.4131 -22.4131 -5.4538 -5.4538 -4.4405 -4.4405 -4.2302 -4.2302 3.8450 3.8450 5.0730 5.0730 7.2386 7.2386 7.2751 7.2751 9.3846 9.3846 9.5124 9.5124 9.6199 9.6199 9.6479 9.6479 10.0635 10.0635 10.0885 10.0885 10.1331 10.1331 10.8770 10.8770 10.9067 10.9067 11.2669 11.2669 11.3565 11.3565 12.1973 12.1973 12.2159 12.2159 13.9289 13.9289 17.3487 17.3487 k = 0.2250 0.1814 0.9988 ( 6692 PWs) bands (ev): -79.8909 -79.8909 -79.8909 -79.8909 -45.5814 -45.5814 -45.5814 -45.5814 -43.9143 -43.9143 -43.9140 -43.9140 -43.7619 -43.7619 -43.7615 -43.7615 -22.4129 -22.4129 -5.4545 -5.4545 -4.4418 -4.4418 -4.2300 -4.2300 3.8473 3.8473 5.0950 5.0950 7.2281 7.2281 7.2555 7.2555 9.4006 9.4006 9.5134 9.5134 9.6224 9.6224 9.6461 9.6461 10.0630 10.0630 10.0896 10.0896 10.1226 10.1226 10.8952 10.8952 10.9209 10.9209 11.2584 11.2584 11.3249 11.3249 12.1884 12.1884 12.2025 12.2025 13.9085 13.9085 17.4156 17.4156 k = 0.2313 0.1698 1.0119 ( 6700 PWs) bands (ev): -79.8911 -79.8911 -79.8911 -79.8911 -45.5815 -45.5815 -45.5814 -45.5814 -43.9144 -43.9144 -43.9140 -43.9140 -43.7619 -43.7619 -43.7615 -43.7615 -22.4127 -22.4127 -5.4551 -5.4551 -4.4428 -4.4428 -4.2299 -4.2299 3.8490 3.8490 5.1126 5.1126 7.2192 7.2192 7.2405 7.2405 9.4143 9.4143 9.5139 9.5139 9.6234 9.6234 9.6435 9.6435 10.0621 10.0621 10.0902 10.0902 10.1138 10.1138 10.9117 10.9117 10.9322 10.9322 11.2493 11.2493 11.2984 11.2984 12.1821 12.1821 12.1925 12.1925 13.8919 13.8919 17.4771 17.4771 k = 0.2375 0.1583 1.0250 ( 6692 PWs) bands (ev): -79.8909 -79.8909 -79.8909 -79.8909 -45.5815 -45.5815 -45.5814 -45.5814 -43.9144 -43.9144 -43.9140 -43.9140 -43.7619 -43.7619 -43.7615 -43.7615 -22.4126 -22.4126 -5.4555 -5.4555 -4.4435 -4.4435 -4.2298 -4.2298 3.8503 3.8503 5.1255 5.1255 7.2120 7.2120 7.2303 7.2303 9.4250 9.4250 9.5141 9.5141 9.6242 9.6242 9.6419 9.6419 10.0619 10.0619 10.0912 10.0912 10.1073 10.1073 10.9263 10.9263 10.9407 10.9407 11.2411 11.2411 11.2796 11.2796 12.1782 12.1782 12.1856 12.1856 13.8798 13.8798 17.5272 17.5272 k = 0.2437 0.1467 1.0382 ( 6686 PWs) bands (ev): -79.8908 -79.8908 -79.8908 -79.8908 -45.5814 -45.5814 -45.5813 -45.5813 -43.9143 -43.9143 -43.9140 -43.9140 -43.7619 -43.7619 -43.7615 -43.7615 -22.4126 -22.4126 -5.4558 -5.4558 -4.4439 -4.4439 -4.2297 -4.2297 3.8511 3.8511 5.1333 5.1333 7.2072 7.2072 7.2248 7.2248 9.4318 9.4318 9.5142 9.5142 9.6243 9.6243 9.6407 9.6407 10.0618 10.0618 10.0920 10.0920 10.1032 10.1032 10.9372 10.9372 10.9448 10.9448 11.2342 11.2342 11.2688 11.2688 12.1765 12.1765 12.1818 12.1818 13.8724 13.8724 17.5564 17.5564 k = 0.2500 0.1352 1.0513 ( 6680 PWs) bands (ev): -79.8907 -79.8907 -79.8907 -79.8907 -45.5814 -45.5814 -45.5813 -45.5813 -43.9143 -43.9143 -43.9140 -43.9140 -43.7619 -43.7619 -43.7615 -43.7615 -22.4125 -22.4125 -5.4559 -5.4559 -4.4441 -4.4441 -4.2297 -4.2297 3.8514 3.8514 5.1359 5.1359 7.2055 7.2055 7.2231 7.2231 9.4342 9.4342 9.5141 9.5141 9.6247 9.6247 9.6407 9.6407 10.0617 10.0617 10.0923 10.0923 10.1016 10.1016 10.9428 10.9428 10.9451 10.9451 11.2318 11.2318 11.2657 11.2657 12.1760 12.1760 12.1806 12.1806 13.8699 13.8699 17.5645 17.5645 k = 0.2500 0.1352 1.0513 ( 6680 PWs) bands (ev): -79.8907 -79.8907 -79.8907 -79.8907 -45.5814 -45.5814 -45.5813 -45.5813 -43.9143 -43.9143 -43.9140 -43.9140 -43.7619 -43.7619 -43.7615 -43.7615 -22.4125 -22.4125 -5.4559 -5.4559 -4.4441 -4.4441 -4.2297 -4.2297 3.8514 3.8514 5.1359 5.1359 7.2055 7.2055 7.2231 7.2231 9.4342 9.4342 9.5141 9.5141 9.6247 9.6247 9.6407 9.6407 10.0617 10.0617 10.0923 10.0923 10.1016 10.1016 10.9428 10.9428 10.9451 10.9451 11.2318 11.2318 11.2657 11.2657 12.1760 12.1760 12.1806 12.1806 13.8699 13.8699 17.5645 17.5645 k = 0.2639 0.1427 1.0428 ( 6685 PWs) bands (ev): -79.8909 -79.8909 -79.8907 -79.8907 -45.5814 -45.5814 -45.5814 -45.5814 -43.9143 -43.9143 -43.9140 -43.9140 -43.7619 -43.7619 -43.7614 -43.7614 -22.4125 -22.4125 -5.4559 -5.4559 -4.4441 -4.4441 -4.2297 -4.2297 3.8513 3.8513 5.1355 5.1355 7.2024 7.2024 7.2270 7.2270 9.4267 9.4267 9.5211 9.5211 9.6238 9.6238 9.6412 9.6412 10.0617 10.0617 10.0922 10.0922 10.1020 10.1020 10.9407 10.9407 10.9453 10.9453 11.2315 11.2315 11.2668 11.2668 12.1764 12.1764 12.1804 12.1804 13.8717 13.8717 17.5162 17.5162 k = 0.2778 0.1502 1.0342 ( 6685 PWs) bands (ev): -79.8909 -79.8909 -79.8907 -79.8907 -45.5814 -45.5814 -45.5814 -45.5814 -43.9143 -43.9143 -43.9140 -43.9140 -43.7619 -43.7619 -43.7614 -43.7614 -22.4125 -22.4125 -5.4558 -5.4558 -4.4440 -4.4440 -4.2297 -4.2297 3.8511 3.8511 5.1339 5.1339 7.1968 7.1968 7.2354 7.2354 9.4086 9.4086 9.5372 9.5372 9.6225 9.6225 9.6433 9.6433 10.0614 10.0614 10.0918 10.0918 10.1024 10.1024 10.9369 10.9369 10.9457 10.9457 11.2323 11.2323 11.2704 11.2704 12.1761 12.1761 12.1819 12.1819 13.8768 13.8768 17.4523 17.4523 k = 0.2917 0.1577 1.0257 ( 6685 PWs) bands (ev): -79.8908 -79.8908 -79.8908 -79.8908 -45.5814 -45.5814 -45.5814 -45.5814 -43.9143 -43.9143 -43.9140 -43.9140 -43.7619 -43.7619 -43.7614 -43.7614 -22.4126 -22.4126 -5.4557 -5.4557 -4.4438 -4.4438 -4.2297 -4.2297 3.8508 3.8508 5.1311 5.1311 7.1917 7.1917 7.2452 7.2452 9.3857 9.3857 9.5561 9.5561 9.6213 9.6213 9.6465 9.6465 10.0611 10.0611 10.0916 10.0916 10.1026 10.1026 10.9312 10.9312 10.9457 10.9457 11.2351 11.2351 11.2751 11.2751 12.1755 12.1755 12.1844 12.1844 13.8850 13.8850 17.3893 17.3893 k = 0.3056 0.1652 1.0172 ( 6689 PWs) bands (ev): -79.8909 -79.8909 -79.8908 -79.8908 -45.5814 -45.5814 -45.5814 -45.5814 -43.9143 -43.9143 -43.9140 -43.9140 -43.7620 -43.7620 -43.7615 -43.7615 -22.4126 -22.4126 -5.4556 -5.4556 -4.4436 -4.4436 -4.2298 -4.2298 3.8507 3.8507 5.1266 5.1266 7.1886 7.1886 7.2559 7.2559 9.3609 9.3609 9.5739 9.5739 9.6212 9.6212 9.6507 9.6507 10.0602 10.0602 10.0909 10.0909 10.1023 10.1023 10.9232 10.9232 10.9454 10.9454 11.2403 11.2403 11.2808 11.2808 12.1744 12.1744 12.1883 12.1883 13.8958 13.8958 17.3281 17.3281 k = 0.3194 0.1727 1.0086 ( 6691 PWs) bands (ev): -79.8910 -79.8910 -79.8908 -79.8908 -45.5814 -45.5814 -45.5814 -45.5814 -43.9143 -43.9143 -43.9141 -43.9141 -43.7619 -43.7619 -43.7615 -43.7615 -22.4127 -22.4127 -5.4554 -5.4554 -4.4433 -4.4433 -4.2298 -4.2298 3.8506 3.8506 5.1204 5.1204 7.1874 7.1874 7.2670 7.2670 9.3351 9.3351 9.5870 9.5870 9.6239 9.6239 9.6564 9.6564 10.0596 10.0596 10.0906 10.0906 10.1017 10.1017 10.9134 10.9134 10.9449 10.9449 11.2478 11.2478 11.2873 11.2873 12.1737 12.1737 12.1926 12.1926 13.9088 13.9088 17.2692 17.2692 k = 0.3333 0.1802 1.0001 ( 6687 PWs) bands (ev): -79.8910 -79.8910 -79.8907 -79.8907 -45.5814 -45.5814 -45.5814 -45.5814 -43.9142 -43.9142 -43.9141 -43.9141 -43.7619 -43.7619 -43.7615 -43.7615 -22.4127 -22.4127 -5.4552 -5.4552 -4.4430 -4.4430 -4.2299 -4.2299 3.8508 3.8508 5.1123 5.1123 7.1889 7.1889 7.2785 7.2785 9.3091 9.3091 9.5930 9.5930 9.6303 9.6303 9.6656 9.6656 10.0588 10.0588 10.0906 10.0906 10.1005 10.1005 10.9018 10.9018 10.9444 10.9444 11.2577 11.2577 11.2948 11.2948 12.1730 12.1730 12.1982 12.1982 13.9238 13.9238 17.2130 17.2130 k = 0.3472 0.1877 0.9916 ( 6682 PWs) bands (ev): -79.8908 -79.8908 -79.8907 -79.8907 -45.5814 -45.5814 -45.5813 -45.5813 -43.9142 -43.9142 -43.9141 -43.9141 -43.7619 -43.7619 -43.7615 -43.7615 -22.4128 -22.4128 -5.4550 -5.4550 -4.4426 -4.4426 -4.2300 -4.2300 3.8514 3.8514 5.1021 5.1021 7.1932 7.1932 7.2901 7.2901 9.2831 9.2831 9.5934 9.5934 9.6373 9.6373 9.6790 9.6790 10.0576 10.0576 10.0906 10.0906 10.0992 10.0992 10.8884 10.8884 10.9439 10.9439 11.2692 11.2692 11.3035 11.3035 12.1723 12.1723 12.2053 12.2053 13.9400 13.9400 17.1596 17.1596 k = 0.3611 0.1952 0.9830 ( 6690 PWs) bands (ev): -79.8910 -79.8910 -79.8907 -79.8907 -45.5815 -45.5815 -45.5813 -45.5813 -43.9142 -43.9142 -43.9141 -43.9141 -43.7619 -43.7619 -43.7615 -43.7615 -22.4128 -22.4128 -5.4547 -5.4547 -4.4421 -4.4421 -4.2301 -4.2301 3.8522 3.8522 5.0899 5.0899 7.2000 7.2000 7.3019 7.3019 9.2574 9.2574 9.5913 9.5913 9.6419 9.6419 9.6951 9.6951 10.0553 10.0553 10.0899 10.0899 10.0972 10.0972 10.8741 10.8741 10.9430 10.9430 11.2815 11.2815 11.3138 11.3138 12.1712 12.1712 12.2121 12.2121 13.9569 13.9569 17.1090 17.1090 k = 0.3750 0.2027 0.9745 ( 6692 PWs) bands (ev): -79.8910 -79.8910 -79.8908 -79.8908 -45.5815 -45.5815 -45.5813 -45.5813 -43.9143 -43.9143 -43.9140 -43.9140 -43.7619 -43.7619 -43.7615 -43.7615 -22.4129 -22.4129 -5.4544 -5.4544 -4.4416 -4.4416 -4.2302 -4.2302 3.8535 3.8535 5.0754 5.0754 7.2096 7.2096 7.3137 7.3137 9.2324 9.2324 9.5881 9.5881 9.6452 9.6452 9.7131 9.7131 10.0522 10.0522 10.0889 10.0889 10.0956 10.0956 10.8593 10.8593 10.9424 10.9424 11.2939 11.2939 11.3265 11.3265 12.1703 12.1703 12.2199 12.2199 13.9740 13.9740 17.0614 17.0614 k = 0.3889 0.2103 0.9660 ( 6682 PWs) bands (ev): -79.8909 -79.8909 -79.8906 -79.8906 -45.5815 -45.5815 -45.5811 -45.5811 -43.9144 -43.9144 -43.9138 -43.9138 -43.7619 -43.7619 -43.7615 -43.7615 -22.4130 -22.4130 -5.4541 -5.4541 -4.4410 -4.4410 -4.2304 -4.2304 3.8552 3.8552 5.0589 5.0589 7.2221 7.2221 7.3257 7.3257 9.2081 9.2081 9.5844 9.5844 9.6478 9.6478 9.7316 9.7316 10.0483 10.0483 10.0877 10.0877 10.0945 10.0945 10.8445 10.8445 10.9425 10.9425 11.3062 11.3062 11.3423 11.3423 12.1699 12.1699 12.2286 12.2286 13.9913 13.9913 17.0170 17.0170 k = 0.4028 0.2178 0.9574 ( 6680 PWs) bands (ev): -79.8909 -79.8909 -79.8905 -79.8905 -45.5816 -45.5816 -45.5811 -45.5811 -43.9144 -43.9144 -43.9137 -43.9137 -43.7619 -43.7619 -43.7615 -43.7615 -22.4131 -22.4131 -5.4537 -5.4537 -4.4403 -4.4403 -4.2306 -4.2306 3.8573 3.8573 5.0403 5.0403 7.2371 7.2371 7.3376 7.3376 9.1848 9.1848 9.5803 9.5803 9.6492 9.6492 9.7497 9.7497 10.0429 10.0429 10.0866 10.0866 10.0938 10.0938 10.8289 10.8289 10.9417 10.9417 11.3177 11.3177 11.3605 11.3605 12.1693 12.1693 12.2378 12.2378 14.0076 14.0076 16.9763 16.9763 k = 0.4167 0.2253 0.9489 ( 6680 PWs) bands (ev): -79.8909 -79.8909 -79.8904 -79.8904 -45.5816 -45.5816 -45.5810 -45.5810 -43.9145 -43.9145 -43.9136 -43.9136 -43.7620 -43.7620 -43.7615 -43.7615 -22.4132 -22.4132 -5.4533 -5.4533 -4.4396 -4.4396 -4.2308 -4.2308 3.8599 3.8599 5.0198 5.0198 7.2545 7.2545 7.3493 7.3493 9.1625 9.1625 9.5760 9.5760 9.6501 9.6501 9.7674 9.7674 10.0357 10.0357 10.0851 10.0851 10.0931 10.0931 10.8138 10.8138 10.9413 10.9413 11.3291 11.3291 11.3811 11.3811 12.1690 12.1690 12.2468 12.2468 14.0227 14.0227 16.9391 16.9391 k = 0.4306 0.2328 0.9403 ( 6676 PWs) bands (ev): -79.8909 -79.8909 -79.8904 -79.8904 -45.5816 -45.5816 -45.5810 -45.5810 -43.9146 -43.9146 -43.9135 -43.9135 -43.7620 -43.7620 -43.7615 -43.7615 -22.4133 -22.4133 -5.4529 -5.4529 -4.4388 -4.4388 -4.2310 -4.2310 3.8628 3.8628 4.9975 4.9975 7.2743 7.2743 7.3609 7.3609 9.1416 9.1416 9.5711 9.5711 9.6504 9.6504 9.7844 9.7844 10.0276 10.0276 10.0836 10.0836 10.0929 10.0929 10.7986 10.7986 10.9410 10.9410 11.3403 11.3403 11.4034 11.4034 12.1687 12.1687 12.2574 12.2574 14.0364 14.0364 16.9053 16.9053 k = 0.4444 0.2403 0.9318 ( 6674 PWs) bands (ev): -79.8909 -79.8909 -79.8903 -79.8903 -45.5817 -45.5817 -45.5809 -45.5809 -43.9146 -43.9146 -43.9134 -43.9134 -43.7620 -43.7620 -43.7615 -43.7615 -22.4135 -22.4135 -5.4524 -5.4524 -4.4380 -4.4380 -4.2312 -4.2312 3.8662 3.8662 4.9737 4.9737 7.2960 7.2960 7.3722 7.3722 9.1219 9.1219 9.5662 9.5662 9.6500 9.6500 9.8002 9.8002 10.0181 10.0181 10.0823 10.0823 10.0933 10.0933 10.7838 10.7838 10.9409 10.9409 11.3517 11.3517 11.4269 11.4269 12.1681 12.1681 12.2689 12.2689 14.0481 14.0481 16.8756 16.8756 k = 0.4583 0.2478 0.9233 ( 6678 PWs) bands (ev): -79.8910 -79.8910 -79.8903 -79.8903 -45.5818 -45.5818 -45.5808 -45.5808 -43.9148 -43.9148 -43.9132 -43.9132 -43.7620 -43.7620 -43.7615 -43.7615 -22.4136 -22.4136 -5.4519 -5.4519 -4.4371 -4.4371 -4.2314 -4.2314 3.8699 3.8699 4.9486 4.9486 7.3193 7.3193 7.3834 7.3834 9.1037 9.1037 9.5607 9.5607 9.6491 9.6491 9.8152 9.8152 10.0079 10.0079 10.0802 10.0802 10.0937 10.0937 10.7691 10.7691 10.9404 10.9404 11.3629 11.3629 11.4515 11.4515 12.1679 12.1679 12.2803 12.2803 14.0579 14.0579 16.8491 16.8491 k = 0.4722 0.2553 0.9147 ( 6675 PWs) bands (ev): -79.8909 -79.8909 -79.8903 -79.8903 -45.5818 -45.5818 -45.5807 -45.5807 -43.9149 -43.9149 -43.9131 -43.9131 -43.7621 -43.7621 -43.7614 -43.7614 -22.4138 -22.4138 -5.4514 -5.4514 -4.4361 -4.4361 -4.2317 -4.2317 3.8737 3.8737 4.9225 4.9225 7.3441 7.3441 7.3943 7.3943 9.0871 9.0871 9.5551 9.5551 9.6477 9.6477 9.8284 9.8284 9.9977 9.9977 10.0784 10.0784 10.0948 10.0948 10.7552 10.7552 10.9407 10.9407 11.3743 11.3743 11.4771 11.4771 12.1676 12.1676 12.2935 12.2935 14.0655 14.0655 16.8267 16.8267 k = 0.4861 0.2628 0.9062 ( 6680 PWs) bands (ev): -79.8910 -79.8910 -79.8904 -79.8904 -45.5819 -45.5819 -45.5806 -45.5806 -43.9150 -43.9150 -43.9130 -43.9130 -43.7622 -43.7622 -43.7614 -43.7614 -22.4139 -22.4139 -5.4508 -5.4508 -4.4351 -4.4351 -4.2320 -4.2320 3.8777 3.8777 4.8957 4.8957 7.3698 7.3698 7.4051 7.4051 9.0720 9.0720 9.5492 9.5492 9.6459 9.6459 9.8395 9.8395 9.9880 9.9880 10.0761 10.0761 10.0960 10.0960 10.7416 10.7416 10.9401 10.9401 11.3855 11.3855 11.5031 11.5031 12.1674 12.1674 12.3068 12.3068 14.0709 14.0709 16.8081 16.8081 k = 0.5000 0.2703 0.8977 ( 6678 PWs) bands (ev): -79.8911 -79.8911 -79.8903 -79.8903 -45.5820 -45.5820 -45.5806 -45.5806 -43.9151 -43.9151 -43.9128 -43.9128 -43.7622 -43.7622 -43.7614 -43.7614 -22.4141 -22.4141 -5.4502 -5.4502 -4.4340 -4.4340 -4.2322 -4.2322 3.8816 3.8816 4.8684 4.8684 7.3961 7.3961 7.4158 7.4158 9.0585 9.0585 9.5436 9.5436 9.6436 9.6436 9.8472 9.8472 9.9804 9.9804 10.0738 10.0738 10.0980 10.0980 10.7290 10.7290 10.9392 10.9392 11.3971 11.3971 11.5299 11.5299 12.1678 12.1678 12.3215 12.3215 14.0743 14.0743 16.7937 16.7937 k = 0.5000 0.2703 0.8977 ( 6678 PWs) bands (ev): -79.8911 -79.8911 -79.8903 -79.8903 -45.5820 -45.5820 -45.5806 -45.5806 -43.9151 -43.9151 -43.9128 -43.9128 -43.7622 -43.7622 -43.7614 -43.7614 -22.4141 -22.4141 -5.4502 -5.4502 -4.4340 -4.4340 -4.2322 -4.2322 3.8816 3.8816 4.8684 4.8684 7.3961 7.3961 7.4158 7.4158 9.0585 9.0585 9.5436 9.5436 9.6436 9.6436 9.8472 9.8472 9.9804 9.9804 10.0738 10.0738 10.0980 10.0980 10.7290 10.7290 10.9392 10.9392 11.3971 11.3971 11.5299 11.5299 12.1678 12.1678 12.3215 12.3215 14.0743 14.0743 16.7937 16.7937 k = 0.5000 0.2703 0.8790 ( 6672 PWs) bands (ev): -79.8908 -79.8908 -79.8903 -79.8903 -45.5822 -45.5822 -45.5803 -45.5803 -43.9154 -43.9154 -43.9124 -43.9124 -43.7623 -43.7623 -43.7613 -43.7613 -22.4145 -22.4145 -5.4487 -5.4487 -4.4314 -4.4314 -4.2329 -4.2329 3.8902 3.8902 4.8071 4.8071 7.4391 7.4391 7.4566 7.4566 9.0294 9.0294 9.5293 9.5293 9.6375 9.6375 9.8610 9.8610 9.9663 9.9663 10.0683 10.0683 10.1033 10.1033 10.7033 10.7033 10.9388 10.9388 11.4228 11.4228 11.5899 11.5899 12.1682 12.1682 12.3574 12.3574 14.0799 14.0799 16.7651 16.7651 k = 0.5000 0.2703 0.8603 ( 6656 PWs) bands (ev): -79.8908 -79.8908 -79.8898 -79.8898 -45.5823 -45.5823 -45.5800 -45.5800 -43.9157 -43.9157 -43.9119 -43.9119 -43.7623 -43.7623 -43.7613 -43.7613 -22.4149 -22.4149 -5.4471 -5.4471 -4.4285 -4.4285 -4.2336 -4.2336 3.8994 3.8994 4.7431 4.7431 7.4664 7.4664 7.5182 7.5182 8.9981 8.9981 9.5141 9.5141 9.6308 9.6308 9.8744 9.8744 9.9523 9.9523 10.0621 10.0621 10.1102 10.1102 10.6807 10.6807 10.9373 10.9373 11.4531 11.4531 11.6524 11.6524 12.1696 12.1696 12.3978 12.3978 14.0865 14.0865 16.7345 16.7345 k = 0.5000 0.2703 0.8416 ( 6664 PWs) bands (ev): -79.8911 -79.8911 -79.8898 -79.8898 -45.5825 -45.5825 -45.5798 -45.5798 -43.9160 -43.9160 -43.9115 -43.9115 -43.7624 -43.7624 -43.7614 -43.7614 -22.4154 -22.4154 -5.4454 -5.4454 -4.4253 -4.4253 -4.2343 -4.2343 3.9088 3.9088 4.6769 4.6769 7.4958 7.4958 7.5812 7.5812 8.9645 8.9645 9.4976 9.4976 9.6220 9.6220 9.8856 9.8856 9.9395 9.9395 10.0547 10.0547 10.1173 10.1173 10.6595 10.6595 10.9348 10.9348 11.4874 11.4874 11.7161 11.7161 12.1702 12.1702 12.4422 12.4422 14.0934 14.0934 16.7015 16.7015 k = 0.5000 0.2703 0.8229 ( 6672 PWs) bands (ev): -79.8913 -79.8913 -79.8898 -79.8898 -45.5828 -45.5828 -45.5796 -45.5796 -43.9165 -43.9165 -43.9110 -43.9110 -43.7626 -43.7626 -43.7614 -43.7614 -22.4159 -22.4159 -5.4434 -5.4434 -4.4218 -4.4218 -4.2352 -4.2352 3.9185 3.9185 4.6092 4.6092 7.5278 7.5278 7.6448 7.6448 8.9287 8.9287 9.4804 9.4804 9.6120 9.6120 9.8886 9.8886 9.9350 9.9350 10.0468 10.0468 10.1247 10.1247 10.6407 10.6407 10.9330 10.9330 11.5261 11.5261 11.7814 11.7814 12.1705 12.1705 12.4921 12.4921 14.1011 14.1011 16.6662 16.6662 k = 0.5000 0.2703 0.8042 ( 6662 PWs) bands (ev): -79.8913 -79.8913 -79.8895 -79.8895 -45.5830 -45.5830 -45.5792 -45.5792 -43.9168 -43.9168 -43.9104 -43.9104 -43.7627 -43.7627 -43.7614 -43.7614 -22.4164 -22.4164 -5.4414 -5.4414 -4.4180 -4.4180 -4.2360 -4.2360 3.9282 3.9282 4.5406 4.5406 7.5625 7.5625 7.7085 7.7085 8.8911 8.8911 9.4631 9.4631 9.6015 9.6015 9.8785 9.8785 9.9433 9.9433 10.0391 10.0391 10.1341 10.1341 10.6259 10.6259 10.9312 10.9312 11.5696 11.5696 11.8491 11.8491 12.1715 12.1715 12.5472 12.5472 14.1096 14.1096 16.6296 16.6296 k = 0.5000 0.2703 0.7855 ( 6664 PWs) bands (ev): -79.8915 -79.8915 -79.8894 -79.8894 -45.5833 -45.5833 -45.5789 -45.5789 -43.9173 -43.9173 -43.9099 -43.9099 -43.7628 -43.7628 -43.7614 -43.7614 -22.4170 -22.4170 -5.4392 -5.4392 -4.4139 -4.4139 -4.2369 -4.2369 3.9376 3.9376 4.4713 4.4713 7.5995 7.5995 7.7715 7.7715 8.8514 8.8514 9.4457 9.4457 9.5893 9.5893 9.8612 9.8612 9.9573 9.9573 10.0324 10.0324 10.1435 10.1435 10.6131 10.6131 10.9293 10.9293 11.6170 11.6170 11.9181 11.9181 12.1723 12.1723 12.6069 12.6069 14.1189 14.1189 16.5909 16.5909 k = 0.5000 0.2703 0.7668 ( 6658 PWs) bands (ev): -79.8917 -79.8917 -79.8890 -79.8890 -45.5835 -45.5835 -45.5787 -45.5787 -43.9176 -43.9176 -43.9093 -43.9093 -43.7629 -43.7629 -43.7614 -43.7614 -22.4176 -22.4176 -5.4368 -5.4368 -4.4095 -4.4095 -4.2378 -4.2378 3.9467 3.9467 4.4018 4.4018 7.6391 7.6391 7.8334 7.8334 8.8102 8.8102 9.4293 9.4293 9.5759 9.5759 9.8410 9.8410 9.9711 9.9711 10.0292 10.0292 10.1542 10.1542 10.6032 10.6032 10.9273 10.9273 11.6695 11.6695 11.9890 11.9890 12.1733 12.1733 12.6712 12.6712 14.1290 14.1290 16.5507 16.5507 k = 0.5000 0.2703 0.7481 ( 6672 PWs) bands (ev): -79.8920 -79.8920 -79.8892 -79.8892 -45.5839 -45.5839 -45.5783 -45.5783 -43.9182 -43.9182 -43.9087 -43.9087 -43.7631 -43.7631 -43.7614 -43.7614 -22.4183 -22.4183 -5.4343 -5.4343 -4.4048 -4.4048 -4.2388 -4.2388 3.9553 3.9553 4.3324 4.3324 7.6809 7.6809 7.8939 7.8939 8.7671 8.7671 9.4129 9.4129 9.5608 9.5608 9.8191 9.8191 9.9778 9.9778 10.0346 10.0346 10.1649 10.1649 10.5951 10.5951 10.9253 10.9253 11.7248 11.7248 12.0609 12.0609 12.1740 12.1740 12.7408 12.7408 14.1398 14.1398 16.5074 16.5074 k = 0.5000 0.2703 0.7294 ( 6680 PWs) bands (ev): -79.8921 -79.8921 -79.8894 -79.8894 -45.5843 -45.5843 -45.5780 -45.5780 -43.9188 -43.9188 -43.9081 -43.9081 -43.7633 -43.7633 -43.7614 -43.7614 -22.4190 -22.4190 -5.4317 -5.4317 -4.3999 -4.3999 -4.2398 -4.2398 3.9630 3.9630 4.2633 4.2633 7.7252 7.7252 7.9528 7.9528 8.7226 8.7226 9.3979 9.3979 9.5446 9.5446 9.7968 9.7968 9.9751 9.9751 10.0508 10.0508 10.1760 10.1760 10.5901 10.5901 10.9233 10.9233 11.7841 11.7841 12.1340 12.1340 12.1750 12.1750 12.8157 12.8157 14.1520 14.1520 16.4528 16.4528 k = 0.5000 0.2703 0.7107 ( 6672 PWs) bands (ev): -79.8921 -79.8921 -79.8892 -79.8892 -45.5846 -45.5846 -45.5776 -45.5776 -43.9193 -43.9193 -43.9074 -43.9074 -43.7634 -43.7634 -43.7614 -43.7614 -22.4197 -22.4197 -5.4290 -5.4290 -4.3947 -4.3947 -4.2408 -4.2408 3.9699 3.9699 4.1949 4.1949 7.7718 7.7718 8.0100 8.0100 8.6773 8.6773 9.3851 9.3851 9.5274 9.5274 9.7741 9.7741 9.9672 9.9672 10.0745 10.0745 10.1884 10.1884 10.5876 10.5876 10.9215 10.9215 11.8481 11.8481 12.1747 12.1747 12.2112 12.2112 12.8959 12.8959 14.1656 14.1656 16.3505 16.3505 k = 0.5000 0.2703 0.6920 ( 6664 PWs) bands (ev): -79.8919 -79.8919 -79.8891 -79.8891 -45.5850 -45.5850 -45.5771 -45.5771 -43.9199 -43.9199 -43.9066 -43.9066 -43.7636 -43.7636 -43.7613 -43.7613 -22.4204 -22.4204 -5.4261 -5.4261 -4.3893 -4.3893 -4.2418 -4.2418 3.9755 3.9755 4.1273 4.1273 7.8206 7.8206 8.0648 8.0648 8.6311 8.6311 9.3738 9.3738 9.5096 9.5096 9.7509 9.7509 9.9569 9.9569 10.1015 10.1015 10.2014 10.2014 10.5887 10.5887 10.9199 10.9199 11.9148 11.9148 12.1769 12.1769 12.2880 12.2880 12.9803 12.9803 14.1807 14.1807 16.2382 16.2382 k = 0.5000 0.2703 0.6732 ( 6660 PWs) bands (ev): -79.8919 -79.8919 -79.8890 -79.8890 -45.5853 -45.5853 -45.5766 -45.5766 -43.9205 -43.9205 -43.9058 -43.9058 -43.7637 -43.7637 -43.7613 -43.7613 -22.4212 -22.4212 -5.4232 -5.4232 -4.3835 -4.3835 -4.2428 -4.2428 3.9796 3.9796 4.0607 4.0607 7.8714 7.8714 8.1173 8.1173 8.5842 8.5842 9.3644 9.3644 9.4910 9.4910 9.7277 9.7277 9.9453 9.9453 10.1307 10.1307 10.2150 10.2150 10.5919 10.5919 10.9182 10.9182 11.9839 11.9839 12.1794 12.1794 12.3672 12.3672 13.0693 13.0693 14.1977 14.1977 16.1253 16.1253 k = 0.5000 0.2703 0.6545 ( 6660 PWs) bands (ev): -79.8921 -79.8921 -79.8888 -79.8888 -45.5857 -45.5857 -45.5762 -45.5762 -43.9211 -43.9211 -43.9051 -43.9051 -43.7639 -43.7639 -43.7613 -43.7613 -22.4219 -22.4219 -5.4201 -5.4201 -4.3776 -4.3776 -4.2438 -4.2438 3.9797 3.9797 3.9979 3.9979 7.9245 7.9245 8.1671 8.1671 8.5372 8.5372 9.3576 9.3576 9.4713 9.4713 9.7039 9.7039 9.9328 9.9328 10.1616 10.1616 10.2294 10.2294 10.5969 10.5969 10.9161 10.9161 12.0543 12.0543 12.1843 12.1843 12.4476 12.4476 13.1617 13.1617 14.2167 14.2167 16.0131 16.0131 k = 0.5000 0.2703 0.6358 ( 6654 PWs) bands (ev): -79.8920 -79.8920 -79.8887 -79.8887 -45.5861 -45.5861 -45.5758 -45.5758 -43.9217 -43.9217 -43.9043 -43.9043 -43.7640 -43.7640 -43.7612 -43.7612 -22.4227 -22.4227 -5.4170 -5.4170 -4.3714 -4.3714 -4.2448 -4.2448 3.9288 3.9288 3.9855 3.9855 7.9796 7.9796 8.2147 8.2147 8.4904 8.4904 9.3532 9.3532 9.4507 9.4507 9.6806 9.6806 9.9205 9.9205 10.1947 10.1947 10.2443 10.2443 10.6036 10.6036 10.9148 10.9148 12.1184 12.1184 12.1986 12.1986 12.5294 12.5294 13.2580 13.2580 14.2388 14.2388 15.9027 15.9027 k = 0.5000 0.2703 0.6171 ( 6664 PWs) bands (ev): -79.8923 -79.8923 -79.8887 -79.8887 -45.5865 -45.5865 -45.5754 -45.5754 -43.9224 -43.9224 -43.9035 -43.9035 -43.7642 -43.7642 -43.7612 -43.7612 -22.4235 -22.4235 -5.4137 -5.4137 -4.3650 -4.3650 -4.2458 -4.2458 3.8660 3.8660 3.9846 3.9846 8.0365 8.0365 8.2592 8.2592 8.4439 8.4439 9.3507 9.3507 9.4298 9.4298 9.6568 9.6568 9.9068 9.9068 10.2276 10.2276 10.2601 10.2601 10.6122 10.6122 10.9136 10.9136 12.1530 12.1530 12.2444 12.2444 12.6130 12.6130 13.3562 13.3562 14.2639 14.2639 15.7939 15.7939 k = 0.5000 0.2703 0.5984 ( 6672 PWs) bands (ev): -79.8926 -79.8926 -79.8887 -79.8887 -45.5870 -45.5870 -45.5750 -45.5750 -43.9231 -43.9231 -43.9028 -43.9028 -43.7644 -43.7644 -43.7612 -43.7612 -22.4244 -22.4244 -5.4104 -5.4104 -4.3584 -4.3584 -4.2467 -4.2467 3.8042 3.8042 3.9821 3.9821 8.0951 8.0951 8.3008 8.3008 8.3983 8.3983 9.3506 9.3506 9.4088 9.4088 9.6328 9.6328 9.8929 9.8929 10.2601 10.2601 10.2797 10.2797 10.6223 10.6223 10.9128 10.9128 12.1630 12.1630 12.3175 12.3175 12.6982 12.6982 13.4554 13.4554 14.2931 14.2931 15.6881 15.6881 k = 0.5000 0.2703 0.5797 ( 6664 PWs) bands (ev): -79.8927 -79.8927 -79.8884 -79.8884 -45.5873 -45.5873 -45.5745 -45.5745 -43.9237 -43.9237 -43.9020 -43.9020 -43.7644 -43.7644 -43.7611 -43.7611 -22.4252 -22.4252 -5.4071 -5.4071 -4.3516 -4.3516 -4.2476 -4.2476 3.7439 3.7439 3.9778 3.9778 8.1556 8.1556 8.3353 8.3353 8.3588 8.3588 9.3522 9.3522 9.3888 9.3888 9.6098 9.6098 9.8789 9.8789 10.2847 10.2847 10.3100 10.3100 10.6344 10.6344 10.9124 10.9124 12.1669 12.1669 12.3994 12.3994 12.7857 12.7857 13.5551 13.5551 14.3285 14.3285 15.5855 15.5855 k = 0.5000 0.2703 0.5610 ( 6668 PWs) bands (ev): -79.8930 -79.8930 -79.8882 -79.8882 -45.5877 -45.5877 -45.5741 -45.5741 -43.9244 -43.9244 -43.9013 -43.9013 -43.7646 -43.7646 -43.7611 -43.7611 -22.4261 -22.4261 -5.4037 -5.4037 -4.3446 -4.3446 -4.2485 -4.2485 3.6851 3.6851 3.9715 3.9715 8.2174 8.2174 8.3063 8.3063 8.3811 8.3811 9.3512 9.3512 9.3733 9.3733 9.5865 9.5865 9.8647 9.8647 10.3042 10.3042 10.3480 10.3480 10.6468 10.6468 10.9127 10.9127 12.1678 12.1678 12.4847 12.4847 12.8743 12.8743 13.6520 13.6520 14.3713 14.3713 15.4866 15.4866 k = 0.5000 0.2703 0.5423 ( 6664 PWs) bands (ev): -79.8930 -79.8930 -79.8881 -79.8881 -45.5881 -45.5881 -45.5737 -45.5737 -43.9251 -43.9251 -43.9004 -43.9004 -43.7647 -43.7647 -43.7610 -43.7610 -22.4269 -22.4269 -5.4002 -5.4002 -4.3375 -4.3375 -4.2494 -4.2494 3.6279 3.6279 3.9632 3.9632 8.2638 8.2638 8.2814 8.2814 8.4161 8.4161 9.3368 9.3368 9.3732 9.3732 9.5645 9.5645 9.8506 9.8506 10.3215 10.3215 10.3890 10.3890 10.6616 10.6616 10.9135 10.9135 12.1680 12.1680 12.5721 12.5721 12.9641 12.9641 13.7452 13.7452 14.4239 14.4239 15.3920 15.3920 k = 0.5000 0.2703 0.5236 ( 6680 PWs) bands (ev): -79.8933 -79.8933 -79.8884 -79.8884 -45.5887 -45.5887 -45.5732 -45.5732 -43.9259 -43.9259 -43.8997 -43.8997 -43.7649 -43.7649 -43.7610 -43.7610 -22.4278 -22.4278 -5.3967 -5.3967 -4.3302 -4.3302 -4.2501 -4.2501 3.5724 3.5724 3.9529 3.9529 8.2227 8.2227 8.3458 8.3458 8.4486 8.4486 9.3163 9.3163 9.3813 9.3813 9.5419 9.5419 9.8355 9.8355 10.3382 10.3382 10.4318 10.4318 10.6771 10.6771 10.9151 10.9151 12.1671 12.1671 12.6602 12.6602 13.0557 13.0557 13.8301 13.8301 14.4880 14.4880 15.3023 15.3023 k = 0.5000 0.2703 0.5049 ( 6680 PWs) bands (ev): -79.8935 -79.8935 -79.8882 -79.8882 -45.5891 -45.5891 -45.5728 -45.5728 -43.9265 -43.9265 -43.8989 -43.8989 -43.7650 -43.7650 -43.7610 -43.7610 -22.4286 -22.4286 -5.3932 -5.3932 -4.3229 -4.3229 -4.2509 -4.2509 3.5186 3.5186 3.9406 3.9406 8.1829 8.1829 8.4120 8.4120 8.4797 8.4797 9.2954 9.2954 9.3929 9.3929 9.5205 9.5205 9.8203 9.8203 10.3546 10.3546 10.4766 10.4766 10.6936 10.6936 10.9177 10.9177 12.1672 12.1672 12.7487 12.7487 13.1496 13.1496 13.9065 13.9065 14.5655 14.5655 15.2185 15.2185 k = 0.5000 0.2703 0.4862 ( 6684 PWs) bands (ev): -79.8938 -79.8938 -79.8880 -79.8880 -45.5895 -45.5895 -45.5724 -45.5724 -43.9272 -43.9272 -43.8981 -43.8981 -43.7652 -43.7652 -43.7610 -43.7610 -22.4295 -22.4295 -5.3897 -5.3897 -4.3154 -4.3154 -4.2515 -4.2515 3.4665 3.4665 3.9263 3.9263 8.1448 8.1448 8.4793 8.4793 8.5092 8.5092 9.2740 9.2740 9.4061 9.4061 9.5010 9.5010 9.8045 9.8045 10.3702 10.3702 10.5227 10.5227 10.7111 10.7111 10.9214 10.9214 12.1660 12.1660 12.8365 12.8365 13.2447 13.2447 13.9732 13.9732 14.6573 14.6573 15.1413 15.1413 k = 0.5000 0.2703 0.4675 ( 6684 PWs) bands (ev): -79.8939 -79.8939 -79.8879 -79.8879 -45.5899 -45.5899 -45.5720 -45.5720 -43.9279 -43.9279 -43.8973 -43.8973 -43.7653 -43.7653 -43.7609 -43.7609 -22.4303 -22.4303 -5.3863 -5.3863 -4.3080 -4.3080 -4.2521 -4.2521 3.4162 3.4162 3.9103 3.9103 8.1084 8.1084 8.5370 8.5370 8.5476 8.5476 9.2527 9.2527 9.4192 9.4192 9.4845 9.4845 9.7889 9.7889 10.3857 10.3857 10.5706 10.5706 10.7294 10.7294 10.9266 10.9266 12.1650 12.1650 12.9220 12.9220 13.3412 13.3412 14.0300 14.0300 14.7622 14.7622 15.0724 15.0724 k = 0.5000 0.2703 0.4488 ( 6684 PWs) bands (ev): -79.8940 -79.8940 -79.8878 -79.8878 -45.5903 -45.5903 -45.5715 -45.5715 -43.9286 -43.9286 -43.8965 -43.8965 -43.7655 -43.7655 -43.7609 -43.7609 -22.4312 -22.4312 -5.3828 -5.3828 -4.3005 -4.3005 -4.2526 -4.2526 3.3678 3.3678 3.8925 3.8925 8.0736 8.0736 8.5633 8.5633 8.6168 8.6168 9.2318 9.2318 9.4265 9.4265 9.4763 9.4763 9.7732 9.7732 10.4004 10.4004 10.6198 10.6198 10.7486 10.7486 10.9334 10.9334 12.1636 12.1636 13.0038 13.0038 13.4393 13.4393 14.0789 14.0789 14.8782 14.8782 15.0131 15.0131 k = 0.5000 0.2703 0.4301 ( 6688 PWs) bands (ev): -79.8942 -79.8942 -79.8878 -79.8878 -45.5907 -45.5907 -45.5711 -45.5711 -43.9293 -43.9293 -43.8957 -43.8957 -43.7656 -43.7656 -43.7608 -43.7608 -22.4320 -22.4320 -5.3794 -5.3794 -4.2931 -4.2931 -4.2529 -4.2529 3.3212 3.3212 3.8731 3.8731 8.0404 8.0404 8.5883 8.5883 8.6866 8.6866 9.2112 9.2112 9.4205 9.4205 9.4838 9.4838 9.7572 9.7572 10.4139 10.4139 10.6699 10.6699 10.7688 10.7688 10.9421 10.9421 12.1617 12.1617 13.0800 13.0800 13.5388 13.5388 14.1213 14.1213 14.9650 14.9650 15.0026 15.0026 k = 0.5000 0.2703 0.4114 ( 6698 PWs) bands (ev): -79.8944 -79.8944 -79.8879 -79.8879 -45.5912 -45.5912 -45.5707 -45.5707 -43.9300 -43.9300 -43.8950 -43.8950 -43.7657 -43.7657 -43.7608 -43.7608 -22.4328 -22.4328 -5.3760 -5.3760 -4.2857 -4.2857 -4.2531 -4.2531 3.2765 3.2765 3.8523 3.8523 8.0089 8.0089 8.6120 8.6120 8.7568 8.7568 9.1911 9.1911 9.4063 9.4063 9.5016 9.5016 9.7410 9.7410 10.4260 10.4260 10.7196 10.7196 10.7905 10.7905 10.9526 10.9526 12.1590 12.1590 13.1486 13.1486 13.6399 13.6399 14.1592 14.1592 14.9303 14.9303 15.1325 15.1325 k = 0.5000 0.2703 0.3927 ( 6694 PWs) bands (ev): -79.8944 -79.8944 -79.8878 -79.8878 -45.5916 -45.5916 -45.5703 -45.5703 -43.9307 -43.9307 -43.8942 -43.8942 -43.7658 -43.7658 -43.7607 -43.7607 -22.4336 -22.4336 -5.3727 -5.3727 -4.2787 -4.2787 -4.2530 -4.2530 3.2338 3.2338 3.8304 3.8304 7.9795 7.9795 8.6348 8.6348 8.8275 8.8275 9.1716 9.1716 9.3901 9.3901 9.5241 9.5241 9.7249 9.7249 10.4368 10.4368 10.7670 10.7670 10.8171 10.8171 10.9658 10.9658 12.1563 12.1563 13.2078 13.2078 13.7425 13.7425 14.1938 14.1938 14.9114 14.9114 15.1585 15.1585 k = 0.5000 0.2703 0.3740 ( 6702 PWs) bands (ev): -79.8946 -79.8946 -79.8878 -79.8878 -45.5920 -45.5920 -45.5699 -45.5699 -43.9313 -43.9313 -43.8935 -43.8935 -43.7660 -43.7660 -43.7607 -43.7607 -22.4344 -22.4344 -5.3694 -5.3694 -4.2720 -4.2720 -4.2524 -4.2524 3.1929 3.1929 3.8074 3.8074 7.9516 7.9516 8.6566 8.6566 8.8983 8.8983 9.1527 9.1527 9.3732 9.3732 9.5484 9.5484 9.7083 9.7083 10.4453 10.4453 10.8041 10.8041 10.8546 10.8546 10.9815 10.9815 12.1529 12.1529 13.2549 13.2549 13.8464 13.8464 14.2261 14.2261 14.9097 14.9097 15.0539 15.0539 k = 0.5000 0.2703 0.3553 ( 6710 PWs) bands (ev): -79.8947 -79.8947 -79.8880 -79.8880 -45.5925 -45.5925 -45.5695 -45.5695 -43.9320 -43.9320 -43.8928 -43.8928 -43.7661 -43.7661 -43.7607 -43.7607 -22.4352 -22.4352 -5.3663 -5.3663 -4.2664 -4.2664 -4.2509 -4.2509 3.1540 3.1540 3.7836 3.7836 7.9253 7.9253 8.6773 8.6773 8.9691 8.9691 9.1340 9.1340 9.3564 9.3564 9.5740 9.5740 9.6920 9.6920 10.4524 10.4524 10.8316 10.8316 10.9032 10.9032 11.0006 11.0006 12.1491 12.1491 13.2885 13.2885 13.9513 13.9513 14.2567 14.2567 14.9233 14.9233 14.9520 14.9520 k = 0.5000 0.2703 0.3366 ( 6722 PWs) bands (ev): -79.8951 -79.8951 -79.8880 -79.8880 -45.5929 -45.5929 -45.5692 -45.5692 -43.9326 -43.9326 -43.8922 -43.8922 -43.7663 -43.7663 -43.7606 -43.7606 -22.4359 -22.4359 -5.3632 -5.3632 -4.2625 -4.2625 -4.2477 -4.2477 3.1170 3.1170 3.7593 3.7593 7.9010 7.9010 8.6975 8.6975 9.0394 9.0394 9.1162 9.1162 9.3393 9.3393 9.6002 9.6002 9.6761 9.6761 10.4570 10.4570 10.8539 10.8539 10.9561 10.9561 11.0227 11.0227 12.1441 12.1441 13.3083 13.3083 14.0575 14.0575 14.2866 14.2866 14.8394 14.8394 14.9670 14.9670 k = 0.5000 0.2703 0.3179 ( 6712 PWs) bands (ev): -79.8950 -79.8950 -79.8878 -79.8878 -45.5932 -45.5932 -45.5688 -45.5688 -43.9332 -43.9332 -43.8915 -43.8915 -43.7663 -43.7663 -43.7605 -43.7605 -22.4367 -22.4367 -5.3603 -5.3603 -4.2604 -4.2604 -4.2429 -4.2429 3.0820 3.0820 3.7347 3.7347 7.8784 7.8784 8.7174 8.7174 9.0984 9.0984 9.1104 9.1104 9.3235 9.3235 9.6249 9.6249 9.6631 9.6631 10.4603 10.4603 10.8759 10.8759 11.0081 11.0081 11.0527 11.0527 12.1390 12.1390 13.3146 13.3146 14.1651 14.1651 14.3162 14.3162 14.7339 14.7339 15.0237 15.0237 k = 0.5000 0.2703 0.2992 ( 6712 PWs) bands (ev): -79.8953 -79.8953 -79.8875 -79.8875 -45.5935 -45.5935 -45.5684 -45.5684 -43.9337 -43.9337 -43.8909 -43.8909 -43.7664 -43.7664 -43.7605 -43.7605 -22.4373 -22.4373 -5.3574 -5.3574 -4.2594 -4.2594 -4.2370 -4.2370 3.0490 3.0490 3.7100 3.7100 7.8574 7.8574 8.7367 8.7367 9.0834 9.0834 9.1785 9.1785 9.3083 9.3083 9.6326 9.6326 9.6668 9.6668 10.4606 10.4606 10.8963 10.8963 11.0507 11.0507 11.0950 11.0950 12.1328 12.1328 13.3083 13.3083 14.2737 14.2737 14.3455 14.3455 14.6287 14.6287 15.0986 15.0986 k = 0.5000 0.2703 0.2805 ( 6720 PWs) bands (ev): -79.8955 -79.8955 -79.8876 -79.8876 -45.5938 -45.5938 -45.5681 -45.5681 -43.9343 -43.9343 -43.8903 -43.8903 -43.7665 -43.7665 -43.7605 -43.7605 -22.4380 -22.4380 -5.3547 -5.3547 -4.2588 -4.2588 -4.2309 -4.2309 3.0179 3.0179 3.6854 3.6854 7.8377 7.8377 8.7552 8.7552 9.0675 9.0675 9.2449 9.2449 9.2953 9.2953 9.6200 9.6200 9.6908 9.6908 10.4590 10.4590 10.9157 10.9157 11.0859 11.0859 11.1493 11.1493 12.1254 12.1254 13.2913 13.2913 14.3695 14.3695 14.3868 14.3868 14.5254 14.5254 15.1894 15.1894 k = 0.5000 0.2703 0.2618 ( 6716 PWs) bands (ev): -79.8956 -79.8956 -79.8874 -79.8874 -45.5941 -45.5941 -45.5678 -45.5678 -43.9347 -43.9347 -43.8898 -43.8898 -43.7666 -43.7666 -43.7604 -43.7604 -22.4386 -22.4386 -5.3522 -5.3522 -4.2585 -4.2585 -4.2247 -4.2247 2.9888 2.9888 3.6612 3.6612 7.8196 7.8196 8.7736 8.7736 9.0536 9.0536 9.2744 9.2744 9.3192 9.3192 9.6045 9.6045 9.7179 9.7179 10.4548 10.4548 10.9341 10.9341 11.1199 11.1199 11.2081 11.2081 12.1172 12.1172 13.2658 13.2658 14.3974 14.3974 14.4259 14.4259 14.4960 14.4960 15.2937 15.2937 k = 0.5000 0.2703 0.2431 ( 6716 PWs) bands (ev): -79.8957 -79.8957 -79.8873 -79.8873 -45.5944 -45.5944 -45.5675 -45.5675 -43.9352 -43.9352 -43.8892 -43.8892 -43.7666 -43.7666 -43.7603 -43.7603 -22.4392 -22.4392 -5.3497 -5.3497 -4.2583 -4.2583 -4.2187 -4.2187 2.9618 2.9618 3.6376 3.6376 7.8030 7.8030 8.7917 8.7917 9.0402 9.0402 9.2638 9.2638 9.3825 9.3825 9.5887 9.5887 9.7452 9.7452 10.4483 10.4483 10.9514 10.9514 11.1551 11.1551 11.2684 11.2684 12.1073 12.1073 13.2339 13.2339 14.3215 14.3215 14.4326 14.4326 14.6056 14.6056 15.4090 15.4090 k = 0.5000 0.2703 0.2244 ( 6708 PWs) bands (ev): -79.8955 -79.8955 -79.8872 -79.8872 -45.5947 -45.5947 -45.5671 -45.5671 -43.9357 -43.9357 -43.8887 -43.8887 -43.7667 -43.7667 -43.7602 -43.7602 -22.4398 -22.4398 -5.3475 -5.3475 -4.2581 -4.2581 -4.2130 -4.2130 2.9367 2.9367 3.6148 3.6148 7.7876 7.7876 8.8094 8.8094 9.0277 9.0277 9.2518 9.2518 9.4455 9.4455 9.5738 9.5738 9.7721 9.7721 10.4401 10.4401 10.9692 10.9692 11.1930 11.1930 11.3295 11.3295 12.0962 12.0962 13.1973 13.1973 14.2262 14.2262 14.4612 14.4612 14.7162 14.7162 15.5328 15.5328 k = 0.5000 0.2703 0.2057 ( 6712 PWs) bands (ev): -79.8954 -79.8954 -79.8874 -79.8874 -45.5950 -45.5950 -45.5668 -45.5668 -43.9362 -43.9362 -43.8882 -43.8882 -43.7668 -43.7668 -43.7602 -43.7602 -22.4403 -22.4403 -5.3453 -5.3453 -4.2580 -4.2580 -4.2075 -4.2075 2.9136 2.9136 3.5930 3.5930 7.7735 7.7735 8.8264 8.8264 9.0157 9.0157 9.2398 9.2398 9.5042 9.5042 9.5619 9.5619 9.7979 9.7979 10.4295 10.4295 10.9861 10.9861 11.2325 11.2325 11.3897 11.3897 12.0828 12.0828 13.1574 13.1574 14.1345 14.1345 14.4901 14.4901 14.8261 14.8261 15.6623 15.6623 k = 0.5000 0.2703 0.1870 ( 6710 PWs) bands (ev): -79.8955 -79.8955 -79.8873 -79.8873 -45.5952 -45.5952 -45.5666 -45.5666 -43.9366 -43.9366 -43.8877 -43.8877 -43.7669 -43.7669 -43.7601 -43.7601 -22.4408 -22.4408 -5.3434 -5.3434 -4.2579 -4.2579 -4.2024 -4.2024 2.8926 2.8926 3.5724 3.5724 7.7610 7.7610 8.8431 8.8431 9.0052 9.0052 9.2282 9.2282 9.5317 9.5317 9.5794 9.5794 9.8225 9.8225 10.4175 10.4175 11.0011 11.0011 11.2744 11.2744 11.4490 11.4490 12.0680 12.0680 13.1158 13.1158 14.0475 14.0475 14.5188 14.5188 14.9356 14.9356 15.7949 15.7949 k = 0.5000 0.2703 0.1683 ( 6710 PWs) bands (ev): -79.8955 -79.8955 -79.8872 -79.8872 -45.5954 -45.5954 -45.5664 -45.5664 -43.9369 -43.9369 -43.8874 -43.8874 -43.7669 -43.7669 -43.7600 -43.7600 -22.4412 -22.4412 -5.3416 -5.3416 -4.2577 -4.2577 -4.1976 -4.1976 2.8735 2.8735 3.5532 3.5532 7.7497 7.7497 8.8591 8.8591 8.9957 8.9957 9.2169 9.2169 9.5222 9.5222 9.6322 9.6322 9.8459 9.8459 10.4038 10.4038 11.0149 11.0149 11.3178 11.3178 11.5071 11.5071 12.0507 12.0507 13.0736 13.0736 13.9660 13.9660 14.5470 14.5470 15.0436 15.0436 15.9259 15.9259 k = 0.5000 0.2703 0.1496 ( 6714 PWs) bands (ev): -79.8957 -79.8957 -79.8872 -79.8872 -45.5956 -45.5956 -45.5662 -45.5662 -43.9372 -43.9372 -43.8870 -43.8870 -43.7670 -43.7670 -43.7601 -43.7601 -22.4416 -22.4416 -5.3400 -5.3400 -4.2576 -4.2576 -4.1933 -4.1933 2.8564 2.8564 3.5356 3.5356 7.7399 7.7399 8.8744 8.8744 8.9871 8.9871 9.2066 9.2066 9.5092 9.5092 9.6862 9.6862 9.8672 9.8672 10.3882 10.3882 11.0273 11.0273 11.3627 11.3627 11.5625 11.5625 12.0310 12.0310 13.0316 13.0316 13.8902 13.8902 14.5746 14.5746 15.1490 15.1490 15.8952 15.8952 k = 0.5000 0.2703 0.1309 ( 6706 PWs) bands (ev): -79.8955 -79.8955 -79.8871 -79.8871 -45.5958 -45.5958 -45.5659 -45.5659 -43.9375 -43.9375 -43.8866 -43.8866 -43.7670 -43.7670 -43.7600 -43.7600 -22.4420 -22.4420 -5.3386 -5.3386 -4.2575 -4.2575 -4.1894 -4.1894 2.8413 2.8413 3.5197 3.5197 7.7311 7.7311 8.8887 8.8887 8.9800 8.9800 9.1974 9.1974 9.4970 9.4970 9.7378 9.7378 9.8869 9.8869 10.3716 10.3716 11.0399 11.0399 11.4091 11.4091 11.6154 11.6154 12.0090 12.0090 12.9909 12.9909 13.8214 13.8214 14.6014 14.6014 15.2509 15.2509 15.8542 15.8542 k = 0.5000 0.2703 0.1122 ( 6706 PWs) bands (ev): -79.8957 -79.8957 -79.8869 -79.8869 -45.5959 -45.5959 -45.5658 -45.5658 -43.9378 -43.9378 -43.8864 -43.8864 -43.7670 -43.7670 -43.7600 -43.7600 -22.4423 -22.4423 -5.3373 -5.3373 -4.2574 -4.2574 -4.1860 -4.1860 2.8283 2.8283 3.5056 3.5056 7.7238 7.7238 8.9016 8.9016 8.9745 8.9745 9.1882 9.1882 9.4855 9.4855 9.7861 9.7861 9.9041 9.9041 10.3541 10.3541 11.0495 11.0495 11.4562 11.4562 11.6640 11.6640 11.9845 11.9845 12.9524 12.9524 13.7601 13.7601 14.6264 14.6264 15.3479 15.3479 15.8145 15.8145 k = 0.5000 0.2703 0.0935 ( 6708 PWs) bands (ev): -79.8957 -79.8957 -79.8870 -79.8870 -45.5961 -45.5961 -45.5657 -45.5657 -43.9380 -43.9380 -43.8861 -43.8861 -43.7671 -43.7671 -43.7599 -43.7599 -22.4426 -22.4426 -5.3363 -5.3363 -4.2573 -4.2573 -4.1830 -4.1830 2.8172 2.8172 3.4935 3.4935 7.7173 7.7173 8.9125 8.9125 8.9702 8.9702 9.1804 9.1804 9.4752 9.4752 9.8301 9.8301 9.9196 9.9196 10.3361 10.3361 11.0579 11.0579 11.5036 11.5036 11.7084 11.7084 11.9574 11.9574 12.9170 12.9170 13.7069 13.7069 14.6494 14.6494 15.4375 15.4375 15.7773 15.7773 k = 0.5000 0.2703 0.0748 ( 6710 PWs) bands (ev): -79.8957 -79.8957 -79.8871 -79.8871 -45.5962 -45.5962 -45.5656 -45.5656 -43.9382 -43.9382 -43.8859 -43.8859 -43.7671 -43.7671 -43.7599 -43.7599 -22.4428 -22.4428 -5.3354 -5.3354 -4.2572 -4.2572 -4.1806 -4.1806 2.8082 2.8082 3.4834 3.4834 7.7121 7.7121 8.9213 8.9213 8.9678 8.9678 9.1728 9.1728 9.4664 9.4664 9.8691 9.8691 9.9330 9.9330 10.3181 10.3181 11.0651 11.0651 11.5502 11.5502 11.7468 11.7468 11.9281 11.9281 12.8859 12.8859 13.6624 13.6624 14.6694 14.6694 15.5177 15.5177 15.7448 15.7448 k = 0.5000 0.2703 0.0561 ( 6700 PWs) bands (ev): -79.8954 -79.8954 -79.8871 -79.8871 -45.5963 -45.5963 -45.5654 -45.5654 -43.9383 -43.9383 -43.8857 -43.8857 -43.7671 -43.7671 -43.7598 -43.7598 -22.4430 -22.4430 -5.3347 -5.3347 -4.2571 -4.2571 -4.1787 -4.1787 2.8012 2.8012 3.4755 3.4755 7.7080 7.7080 8.9273 8.9273 8.9670 8.9670 9.1670 9.1670 9.4597 9.4597 9.9015 9.9015 9.9449 9.9449 10.3017 10.3017 11.0715 11.0715 11.5966 11.5966 11.7782 11.7782 11.8983 11.8983 12.8600 12.8600 13.6273 13.6273 14.6864 14.6864 15.5851 15.5851 15.7178 15.7178 k = 0.5000 0.2703 0.0374 ( 6708 PWs) bands (ev): -79.8954 -79.8954 -79.8873 -79.8873 -45.5964 -45.5964 -45.5653 -45.5653 -43.9385 -43.9385 -43.8856 -43.8856 -43.7672 -43.7672 -43.7598 -43.7598 -22.4431 -22.4431 -5.3343 -5.3343 -4.2571 -4.2571 -4.1773 -4.1773 2.7962 2.7962 3.4698 3.4698 7.7051 7.7051 8.9306 8.9306 8.9676 8.9676 9.1625 9.1625 9.4546 9.4546 9.9244 9.9244 9.9553 9.9553 10.2874 10.2874 11.0754 11.0754 11.6368 11.6368 11.7995 11.7995 11.8689 11.8689 12.8406 12.8406 13.6017 13.6017 14.6990 14.6990 15.6363 15.6363 15.6979 15.6979 k = 0.5000 0.2703 0.0187 ( 6696 PWs) bands (ev): -79.8950 -79.8950 -79.8873 -79.8873 -45.5965 -45.5965 -45.5652 -45.5652 -43.9386 -43.9386 -43.8855 -43.8855 -43.7672 -43.7672 -43.7597 -43.7597 -22.4432 -22.4432 -5.3340 -5.3340 -4.2570 -4.2570 -4.1765 -4.1765 2.7932 2.7932 3.4664 3.4664 7.7034 7.7034 8.9322 8.9322 8.9688 8.9688 9.1599 9.1599 9.4517 9.4517 9.9374 9.9374 9.9648 9.9648 10.2778 10.2778 11.0786 11.0786 11.6700 11.6700 11.8079 11.8079 11.8501 11.8501 12.8284 12.8284 13.5863 13.5863 14.7070 14.7070 15.6684 15.6684 15.6861 15.6861 k = 0.5000 0.2703 0.0000 ( 6704 PWs) bands (ev): -79.8950 -79.8950 -79.8876 -79.8876 -45.5966 -45.5966 -45.5652 -45.5652 -43.9387 -43.9387 -43.8855 -43.8855 -43.7672 -43.7672 -43.7597 -43.7597 -22.4432 -22.4432 -5.3339 -5.3339 -4.2570 -4.2570 -4.1762 -4.1762 2.7922 2.7922 3.4652 3.4652 7.7024 7.7024 8.9325 8.9325 8.9692 8.9692 9.1589 9.1589 9.4507 9.4507 9.9410 9.9410 9.9685 9.9685 10.2739 10.2739 11.0794 11.0794 11.6833 11.6833 11.8056 11.8056 11.8455 11.8455 12.8242 12.8242 13.5810 13.5810 14.7097 14.7097 15.6770 15.6770 15.6842 15.6842 k = 0.0000 0.0000 1.0513 ( 6684 PWs) bands (ev): -79.8908 -79.8908 -79.8907 -79.8907 -45.5814 -45.5814 -45.5813 -45.5813 -43.9144 -43.9144 -43.9139 -43.9139 -43.7619 -43.7619 -43.7614 -43.7614 -22.4125 -22.4125 -5.4559 -5.4559 -4.4441 -4.4441 -4.2296 -4.2296 3.8441 3.8441 5.1548 5.1548 7.1119 7.1119 7.3221 7.3221 9.1824 9.1824 9.5969 9.5969 9.6628 9.6628 9.7883 9.7883 10.0380 10.0380 10.0787 10.0787 10.0967 10.0967 10.9401 10.9401 10.9498 10.9498 11.1798 11.1798 11.3132 11.3132 12.1648 12.1648 12.1910 12.1910 14.0523 14.0523 16.9140 16.9140 k = 0.0156 0.0084 1.0513 ( 6688 PWs) bands (ev): -79.8908 -79.8908 -79.8908 -79.8908 -45.5814 -45.5814 -45.5813 -45.5813 -43.9144 -43.9144 -43.9140 -43.9140 -43.7619 -43.7619 -43.7614 -43.7614 -22.4125 -22.4125 -5.4559 -5.4559 -4.4441 -4.4441 -4.2296 -4.2296 3.8442 3.8442 5.1546 5.1546 7.1123 7.1123 7.3216 7.3216 9.1838 9.1838 9.5970 9.5970 9.6626 9.6626 9.7865 9.7865 10.0384 10.0384 10.0789 10.0789 10.0964 10.0964 10.9401 10.9401 10.9498 10.9498 11.1801 11.1801 11.3129 11.3129 12.1649 12.1649 12.1901 12.1901 14.0504 14.0504 16.9168 16.9168 k = 0.0312 0.0169 1.0513 ( 6688 PWs) bands (ev): -79.8910 -79.8910 -79.8907 -79.8907 -45.5815 -45.5815 -45.5813 -45.5813 -43.9144 -43.9144 -43.9140 -43.9140 -43.7618 -43.7618 -43.7615 -43.7615 -22.4125 -22.4125 -5.4559 -5.4559 -4.4441 -4.4441 -4.2296 -4.2296 3.8444 3.8444 5.1541 5.1541 7.1137 7.1137 7.3200 7.3200 9.1880 9.1880 9.5975 9.5975 9.6619 9.6619 9.7817 9.7817 10.0394 10.0394 10.0791 10.0791 10.0968 10.0968 10.9407 10.9407 10.9492 10.9492 11.1811 11.1811 11.3121 11.3121 12.1648 12.1648 12.1904 12.1904 14.0446 14.0446 16.9254 16.9254 k = 0.0469 0.0253 1.0513 ( 6680 PWs) bands (ev): -79.8908 -79.8908 -79.8905 -79.8905 -45.5814 -45.5814 -45.5812 -45.5812 -43.9144 -43.9144 -43.9139 -43.9139 -43.7618 -43.7618 -43.7614 -43.7614 -22.4125 -22.4125 -5.4559 -5.4559 -4.4441 -4.4441 -4.2296 -4.2296 3.8447 3.8447 5.1532 5.1532 7.1161 7.1161 7.3174 7.3174 9.1950 9.1950 9.5983 9.5983 9.6613 9.6613 9.7736 9.7736 10.0413 10.0413 10.0798 10.0798 10.0975 10.0975 10.9404 10.9404 10.9500 10.9500 11.1830 11.1830 11.3107 11.3107 12.1655 12.1655 12.1904 12.1904 14.0355 14.0355 16.9396 16.9396 k = 0.0625 0.0338 1.0513 ( 6694 PWs) bands (ev): -79.8910 -79.8910 -79.8908 -79.8908 -45.5815 -45.5815 -45.5813 -45.5813 -43.9144 -43.9144 -43.9140 -43.9140 -43.7619 -43.7619 -43.7615 -43.7615 -22.4125 -22.4125 -5.4559 -5.4559 -4.4441 -4.4441 -4.2296 -4.2296 3.8452 3.8452 5.1520 5.1520 7.1193 7.1193 7.3138 7.3138 9.2046 9.2046 9.5992 9.5992 9.6597 9.6597 9.7628 9.7628 10.0433 10.0433 10.0804 10.0804 10.0968 10.0968 10.9392 10.9392 10.9493 10.9493 11.1852 11.1852 11.3087 11.3087 12.1655 12.1655 12.1890 12.1890 14.0231 14.0231 16.9594 16.9594 k = 0.0781 0.0422 1.0513 ( 6694 PWs) bands (ev): -79.8910 -79.8910 -79.8908 -79.8908 -45.5815 -45.5815 -45.5813 -45.5813 -43.9144 -43.9144 -43.9140 -43.9140 -43.7619 -43.7619 -43.7615 -43.7615 -22.4125 -22.4125 -5.4559 -5.4559 -4.4441 -4.4441 -4.2296 -4.2296 3.8457 3.8457 5.1506 5.1506 7.1235 7.1235 7.3092 7.3092 9.2167 9.2167 9.6004 9.6004 9.6577 9.6577 9.7495 9.7495 10.0460 10.0460 10.0820 10.0820 10.0967 10.0967 10.9393 10.9393 10.9483 10.9483 11.1879 11.1879 11.3062 11.3062 12.1661 12.1661 12.1885 12.1885 14.0085 14.0085 16.9847 16.9847 k = 0.0938 0.0507 1.0513 ( 6688 PWs) bands (ev): -79.8909 -79.8909 -79.8908 -79.8908 -45.5814 -45.5814 -45.5813 -45.5813 -43.9144 -43.9144 -43.9140 -43.9140 -43.7619 -43.7619 -43.7614 -43.7614 -22.4125 -22.4125 -5.4559 -5.4559 -4.4441 -4.4441 -4.2296 -4.2296 3.8463 3.8463 5.1490 5.1490 7.1285 7.1285 7.3038 7.3038 9.2313 9.2313 9.6021 9.6021 9.6549 9.6549 9.7340 9.7340 10.0492 10.0492 10.0839 10.0839 10.0973 10.0973 10.9387 10.9387 10.9486 10.9486 11.1911 11.1911 11.3033 11.3033 12.1668 12.1668 12.1881 12.1881 13.9925 13.9925 17.0155 17.0155 k = 0.1094 0.0591 1.0513 ( 6682 PWs) bands (ev): -79.8908 -79.8908 -79.8906 -79.8906 -45.5814 -45.5814 -45.5813 -45.5813 -43.9143 -43.9143 -43.9140 -43.9140 -43.7619 -43.7619 -43.7614 -43.7614 -22.4125 -22.4125 -5.4559 -5.4559 -4.4441 -4.4441 -4.2296 -4.2296 3.8470 3.8470 5.1473 5.1473 7.1343 7.1343 7.2975 7.2975 9.2481 9.2481 9.6043 9.6043 9.6515 9.6515 9.7173 9.7173 10.0518 10.0518 10.0855 10.0855 10.0973 10.0973 10.9391 10.9391 10.9485 10.9485 11.1949 11.1949 11.3002 11.3002 12.1677 12.1677 12.1874 12.1874 13.9751 13.9751 17.0516 17.0516 k = 0.1250 0.0676 1.0513 ( 6682 PWs) bands (ev): -79.8910 -79.8910 -79.8905 -79.8905 -45.5814 -45.5814 -45.5813 -45.5813 -43.9143 -43.9143 -43.9140 -43.9140 -43.7619 -43.7619 -43.7613 -43.7613 -22.4125 -22.4125 -5.4559 -5.4559 -4.4441 -4.4441 -4.2296 -4.2296 3.8477 3.8477 5.1454 5.1454 7.1409 7.1409 7.2904 7.2904 9.2670 9.2670 9.6064 9.6064 9.6465 9.6465 9.6993 9.6993 10.0540 10.0540 10.0871 10.0871 10.0973 10.0973 10.9390 10.9390 10.9492 10.9492 11.1988 11.1988 11.2964 11.2964 12.1689 12.1689 12.1866 12.1866 13.9572 13.9572 17.0930 17.0930 k = 0.1406 0.0760 1.0513 ( 6676 PWs) bands (ev): -79.8910 -79.8910 -79.8903 -79.8903 -45.5814 -45.5814 -45.5813 -45.5813 -43.9142 -43.9142 -43.9140 -43.9140 -43.7620 -43.7620 -43.7613 -43.7613 -22.4125 -22.4125 -5.4559 -5.4559 -4.4441 -4.4441 -4.2297 -4.2297 3.8484 3.8484 5.1436 5.1436 7.1481 7.1481 7.2827 7.2827 9.2877 9.2877 9.6088 9.6088 9.6394 9.6394 9.6821 9.6821 10.0562 10.0562 10.0887 10.0887 10.0976 10.0976 10.9393 10.9393 10.9495 10.9495 11.2034 11.2034 11.2924 11.2924 12.1702 12.1702 12.1859 12.1859 13.9397 13.9397 17.1394 17.1394 k = 0.1562 0.0845 1.0513 ( 6680 PWs) bands (ev): -79.8910 -79.8910 -79.8904 -79.8904 -45.5814 -45.5814 -45.5813 -45.5813 -43.9143 -43.9143 -43.9140 -43.9140 -43.7620 -43.7620 -43.7613 -43.7613 -22.4125 -22.4125 -5.4559 -5.4559 -4.4441 -4.4441 -4.2297 -4.2297 3.8491 3.8491 5.1418 5.1418 7.1560 7.1560 7.2742 7.2742 9.3098 9.3098 9.6110 9.6110 9.6278 9.6278 9.6679 9.6679 10.0576 10.0576 10.0898 10.0898 10.0980 10.0980 10.9397 10.9397 10.9490 10.9490 11.2082 11.2082 11.2878 11.2878 12.1710 12.1710 12.1850 12.1850 13.9229 13.9229 17.1906 17.1906 k = 0.1719 0.0929 1.0513 ( 6676 PWs) bands (ev): -79.8909 -79.8909 -79.8904 -79.8904 -45.5813 -45.5813 -45.5813 -45.5813 -43.9143 -43.9143 -43.9140 -43.9140 -43.7619 -43.7619 -43.7613 -43.7613 -22.4125 -22.4125 -5.4559 -5.4559 -4.4441 -4.4441 -4.2297 -4.2297 3.8497 3.8497 5.1402 5.1402 7.1645 7.1645 7.2653 7.2653 9.3333 9.3333 9.6087 9.6087 9.6154 9.6154 9.6584 9.6584 10.0591 10.0591 10.0909 10.0909 10.0989 10.0989 10.9404 10.9404 10.9485 10.9485 11.2132 11.2132 11.2832 11.2832 12.1720 12.1720 12.1844 12.1844 13.9079 13.9079 17.2465 17.2465 k = 0.1875 0.1014 1.0513 ( 6692 PWs) bands (ev): -79.8910 -79.8910 -79.8909 -79.8909 -45.5815 -45.5815 -45.5814 -45.5814 -43.9143 -43.9143 -43.9140 -43.9140 -43.7619 -43.7619 -43.7615 -43.7615 -22.4125 -22.4125 -5.4559 -5.4559 -4.4441 -4.4441 -4.2297 -4.2297 3.8503 3.8503 5.1387 5.1387 7.1733 7.1733 7.2559 7.2559 9.3574 9.3574 9.5884 9.5884 9.6168 9.6168 9.6520 9.6520 10.0594 10.0594 10.0908 10.0908 10.0993 10.0993 10.9408 10.9408 10.9466 10.9466 11.2182 11.2182 11.2783 11.2783 12.1718 12.1718 12.1834 12.1834 13.8945 13.8945 17.3066 17.3066 k = 0.2031 0.1098 1.0513 ( 6686 PWs) bands (ev): -79.8909 -79.8909 -79.8908 -79.8908 -45.5814 -45.5814 -45.5814 -45.5814 -43.9143 -43.9143 -43.9140 -43.9140 -43.7619 -43.7619 -43.7615 -43.7615 -22.4125 -22.4125 -5.4559 -5.4559 -4.4441 -4.4441 -4.2297 -4.2297 3.8507 3.8507 5.1375 5.1375 7.1825 7.1825 7.2464 7.2464 9.3819 9.3819 9.5654 9.5654 9.6193 9.6193 9.6473 9.6473 10.0607 10.0607 10.0917 10.0917 10.1003 10.1003 10.9413 10.9413 10.9463 10.9463 11.2230 11.2230 11.2737 11.2737 12.1733 12.1733 12.1825 12.1825 13.8841 13.8841 17.3713 17.3713 k = 0.2188 0.1183 1.0513 ( 6684 PWs) bands (ev): -79.8908 -79.8908 -79.8908 -79.8908 -45.5814 -45.5814 -45.5813 -45.5813 -43.9143 -43.9143 -43.9140 -43.9140 -43.7619 -43.7619 -43.7615 -43.7615 -22.4125 -22.4125 -5.4559 -5.4559 -4.4441 -4.4441 -4.2297 -4.2297 3.8511 3.8511 5.1367 5.1367 7.1918 7.1918 7.2369 7.2369 9.4055 9.4055 9.5426 9.5426 9.6218 9.6218 9.6438 9.6438 10.0614 10.0614 10.0921 10.0921 10.1010 10.1010 10.9418 10.9418 10.9458 10.9458 11.2272 11.2272 11.2696 11.2696 12.1742 12.1742 12.1817 12.1817 13.8763 13.8763 17.4391 17.4391 k = 0.2344 0.1267 1.0513 ( 6686 PWs) bands (ev): -79.8908 -79.8908 -79.8908 -79.8908 -45.5814 -45.5814 -45.5813 -45.5813 -43.9143 -43.9143 -43.9140 -43.9140 -43.7619 -43.7619 -43.7615 -43.7615 -22.4125 -22.4125 -5.4559 -5.4559 -4.4441 -4.4441 -4.2297 -4.2297 3.8513 3.8513 5.1361 5.1361 7.2004 7.2004 7.2281 7.2281 9.4252 9.4252 9.5231 9.5231 9.6236 9.6236 9.6413 9.6413 10.0617 10.0617 10.0923 10.0923 10.1015 10.1015 10.9423 10.9423 10.9449 10.9449 11.2303 11.2303 11.2666 11.2666 12.1751 12.1751 12.1809 12.1809 13.8715 13.8715 17.5094 17.5094 k = 0.2500 0.1352 1.0513 ( 6680 PWs) bands (ev): -79.8907 -79.8907 -79.8907 -79.8907 -45.5814 -45.5814 -45.5813 -45.5813 -43.9143 -43.9143 -43.9140 -43.9140 -43.7619 -43.7619 -43.7615 -43.7615 -22.4125 -22.4125 -5.4559 -5.4559 -4.4441 -4.4441 -4.2297 -4.2297 3.8514 3.8514 5.1359 5.1359 7.2055 7.2055 7.2231 7.2231 9.4342 9.4342 9.5141 9.5141 9.6247 9.6247 9.6407 9.6407 10.0617 10.0617 10.0923 10.0923 10.1016 10.1016 10.9428 10.9428 10.9451 10.9451 11.2318 11.2318 11.2657 11.2657 12.1760 12.1760 12.1806 12.1806 13.8699 13.8699 17.5645 17.5645 Writing output data file SrxCoSix2.save init_run : 0.42s CPU 0.70s WALL ( 1 calls) electrons : 314.28s CPU 318.39s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.02s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 314.27s CPU 318.37s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.07s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.15s WALL ( 360 calls) cegterg : 282.95s CPU 285.31s WALL ( 415 calls) Called by sum_band: Called by *egterg: h_psi : 209.70s CPU 211.54s WALL ( 7281 calls) s_psi : 6.80s CPU 6.98s WALL ( 7281 calls) g_psi : 0.46s CPU 0.42s WALL ( 6506 calls) cdiaghg : 63.82s CPU 64.52s WALL ( 6866 calls) cegterg:over : 10.42s CPU 10.55s WALL ( 6506 calls) cegterg:upda : 9.55s CPU 9.35s WALL ( 6506 calls) cegterg:last : 4.99s CPU 5.13s WALL ( 1135 calls) cdiaghg:chol : 3.79s CPU 3.70s WALL ( 6866 calls) cdiaghg:inve : 2.62s CPU 2.62s WALL ( 6866 calls) cdiaghg:para : 4.34s CPU 4.23s WALL ( 13732 calls) Called by h_psi: h_psi:vloc : 190.73s CPU 192.53s WALL ( 7281 calls) h_psi:vnl : 18.57s CPU 18.61s WALL ( 7281 calls) add_vuspsi : 10.08s CPU 10.06s WALL ( 7281 calls) General routines calbec : 8.48s CPU 8.53s WALL ( 7281 calls) fft : 0.02s CPU 0.01s WALL ( 15 calls) fftw : 181.01s CPU 182.93s WALL ( 898412 calls) davcio : 0.32s CPU 0.47s WALL ( 720 calls) Parallel routines fft_scatter : 55.53s CPU 55.58s WALL ( 898427 calls) PWSCF : 5m42.04s CPU 6m21.64s WALL This run was terminated on: 17:26:33 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=