Program PWSCF v.5.1.1 starts on 23Oct2015 at 3:29:42 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./Al2HgSe4.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 105 43 12 3479 911 139 Max 106 44 13 3482 937 141 Sum 5077 2109 595 167045 44523 6699 bravais-lattice index = 14 lattice parameter (alat) = 12.6407 a.u. unit-cell volume = 1166.6788 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.640749 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.638600 celldm(5)= -0.638600 celldm(6)= 0.277199 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.277199 0.960812 0.000000 ) a(3) = ( -0.638600 -0.480406 0.601166 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.288505 0.831717 ) b(2) = ( 0.000000 1.040786 0.831717 ) b(3) = ( 0.000000 0.000000 1.663435 ) PseudoPot. # 1 for Hg read from file: /home/autes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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. # 2 for Se read from file: /home/autes/Pseudo/Se_MT_PBE.UPF MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1211 points, 3 beta functions with: l(1) = 0 l(2) = 1 l(3) = 1 PseudoPot. # 3 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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 Hg 12.00 200.59000 Hg( 1.00) Se 6.00 78.96000 Se( 1.00) Al 3.00 26.98150 Al( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 277 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 2) = ( 0.0000000 0.0000000 0.0207929), wk = 0.0036101 k( 3) = ( 0.0000000 0.0000000 0.0415859), wk = 0.0036101 k( 4) = ( 0.0000000 0.0000000 0.0623788), wk = 0.0036101 k( 5) = ( 0.0000000 0.0000000 0.0831717), wk = 0.0036101 k( 6) = ( 0.0000000 0.0000000 0.1039647), wk = 0.0036101 k( 7) = ( 0.0000000 0.0000000 0.1247576), wk = 0.0036101 k( 8) = ( 0.0000000 0.0000000 0.1455505), wk = 0.0036101 k( 9) = ( 0.0000000 0.0000000 0.1663435), wk = 0.0036101 k( 10) = ( 0.0000000 0.0000000 0.1871364), wk = 0.0036101 k( 11) = ( 0.0000000 0.0000000 0.2079293), wk = 0.0036101 k( 12) = ( 0.0000000 0.0000000 0.2287223), wk = 0.0036101 k( 13) = ( 0.0000000 0.0000000 0.2495152), wk = 0.0036101 k( 14) = ( 0.0000000 0.0000000 0.2703081), wk = 0.0036101 k( 15) = ( 0.0000000 0.0000000 0.2911011), wk = 0.0036101 k( 16) = ( 0.0000000 0.0000000 0.3118940), wk = 0.0036101 k( 17) = ( 0.0000000 0.0000000 0.3326869), wk = 0.0036101 k( 18) = ( 0.0000000 0.0000000 0.3534799), wk = 0.0036101 k( 19) = ( 0.0000000 0.0000000 0.3742728), wk = 0.0036101 k( 20) = ( 0.0000000 0.0000000 0.3950657), wk = 0.0036101 k( 21) = ( 0.0000000 0.0000000 0.4158587), wk = 0.0036101 k( 22) = ( 0.0000000 0.0000000 0.4366516), wk = 0.0036101 k( 23) = ( 0.0000000 0.0000000 0.4574445), wk = 0.0036101 k( 24) = ( 0.0000000 0.0000000 0.4782375), wk = 0.0036101 k( 25) = ( 0.0000000 0.0000000 0.4990304), wk = 0.0036101 k( 26) = ( 0.0000000 0.0000000 0.5198233), wk = 0.0036101 k( 27) = ( 0.0000000 0.0000000 0.5406163), wk = 0.0036101 k( 28) = ( 0.0000000 0.0000000 0.5614092), wk = 0.0036101 k( 29) = ( 0.0000000 0.0000000 0.5822021), wk = 0.0036101 k( 30) = ( 0.0000000 0.0000000 0.6029951), wk = 0.0036101 k( 31) = ( 0.0000000 0.0000000 0.6237880), wk = 0.0036101 k( 32) = ( 0.0000000 0.0000000 0.6445809), wk = 0.0036101 k( 33) = ( 0.0000000 0.0000000 0.6653739), wk = 0.0036101 k( 34) = ( 0.0000000 0.0000000 0.6861668), wk = 0.0036101 k( 35) = ( 0.0000000 0.0000000 0.7069597), wk = 0.0036101 k( 36) = ( 0.0000000 0.0000000 0.7277527), wk = 0.0036101 k( 37) = ( 0.0000000 0.0000000 0.7485456), wk = 0.0036101 k( 38) = ( 0.0000000 0.0000000 0.7693385), wk = 0.0036101 k( 39) = ( 0.0000000 0.0000000 0.7901315), wk = 0.0036101 k( 40) = ( 0.0000000 0.0000000 0.8109244), wk = 0.0036101 k( 41) = ( 0.0000000 0.0000000 0.8317173), wk = 0.0036101 k( 42) = ( 0.0000000 0.0000000 0.8317173), wk = 0.0036101 k( 43) = ( -0.0117901 0.0156725 0.8317173), wk = 0.0036101 k( 44) = ( -0.0235803 0.0313450 0.8317173), wk = 0.0036101 k( 45) = ( -0.0353704 0.0470175 0.8317173), wk = 0.0036101 k( 46) = ( -0.0471605 0.0626901 0.8317173), wk = 0.0036101 k( 47) = ( -0.0589506 0.0783626 0.8317173), wk = 0.0036101 k( 48) = ( -0.0707408 0.0940351 0.8317173), wk = 0.0036101 k( 49) = ( -0.0825309 0.1097076 0.8317173), wk = 0.0036101 k( 50) = ( -0.0943210 0.1253801 0.8317173), wk = 0.0036101 k( 51) = ( -0.1061112 0.1410526 0.8317173), wk = 0.0036101 k( 52) = ( -0.1179013 0.1567251 0.8317173), wk = 0.0036101 k( 53) = ( -0.1296914 0.1723977 0.8317173), wk = 0.0036101 k( 54) = ( -0.1414816 0.1880702 0.8317173), wk = 0.0036101 k( 55) = ( -0.1414816 0.1880702 0.8317173), wk = 0.0036101 k( 56) = ( -0.1504445 0.1999846 0.8168080), wk = 0.0036101 k( 57) = ( -0.1594075 0.2118989 0.8018987), wk = 0.0036101 k( 58) = ( -0.1683704 0.2238133 0.7869894), wk = 0.0036101 k( 59) = ( -0.1773334 0.2357277 0.7720801), wk = 0.0036101 k( 60) = ( -0.1862963 0.2476421 0.7571708), wk = 0.0036101 k( 61) = ( -0.1952593 0.2595565 0.7422615), wk = 0.0036101 k( 62) = ( -0.2042223 0.2714709 0.7273522), wk = 0.0036101 k( 63) = ( -0.2131852 0.2833852 0.7124429), wk = 0.0036101 k( 64) = ( -0.2221482 0.2952996 0.6975336), wk = 0.0036101 k( 65) = ( -0.2311112 0.3072140 0.6826243), wk = 0.0036101 k( 66) = ( -0.2400741 0.3191284 0.6677150), wk = 0.0036101 k( 67) = ( -0.2490371 0.3310428 0.6528057), wk = 0.0036101 k( 68) = ( -0.2580000 0.3429572 0.6378964), wk = 0.0036101 k( 69) = ( -0.2669630 0.3548716 0.6229871), wk = 0.0036101 k( 70) = ( -0.2759260 0.3667859 0.6080778), wk = 0.0036101 k( 71) = ( -0.2848889 0.3787003 0.5931685), wk = 0.0036101 k( 72) = ( -0.2938519 0.3906147 0.5782592), wk = 0.0036101 k( 73) = ( -0.3028149 0.4025291 0.5633499), wk = 0.0036101 k( 74) = ( -0.3117778 0.4144435 0.5484406), wk = 0.0036101 k( 75) = ( -0.3207408 0.4263579 0.5335313), wk = 0.0036101 k( 76) = ( -0.3207408 0.4263579 0.5335313), wk = 0.0036101 k( 77) = ( -0.3118313 0.4145146 0.5187110), wk = 0.0036101 k( 78) = ( -0.3029218 0.4026713 0.5038907), wk = 0.0036101 k( 79) = ( -0.2940124 0.3908280 0.4890704), wk = 0.0036101 k( 80) = ( -0.2851029 0.3789848 0.4742501), wk = 0.0036101 k( 81) = ( -0.2761934 0.3671415 0.4594297), wk = 0.0036101 k( 82) = ( -0.2672840 0.3552982 0.4446094), wk = 0.0036101 k( 83) = ( -0.2583745 0.3434549 0.4297891), wk = 0.0036101 k( 84) = ( -0.2494650 0.3316117 0.4149688), wk = 0.0036101 k( 85) = ( -0.2405556 0.3197684 0.4001485), wk = 0.0036101 k( 86) = ( -0.2316461 0.3079251 0.3853282), wk = 0.0036101 k( 87) = ( -0.2227367 0.2960819 0.3705079), wk = 0.0036101 k( 88) = ( -0.2138272 0.2842386 0.3556875), wk = 0.0036101 k( 89) = ( -0.2049177 0.2723953 0.3408672), wk = 0.0036101 k( 90) = ( -0.1960082 0.2605520 0.3260469), wk = 0.0036101 k( 91) = ( -0.1870988 0.2487087 0.3112266), wk = 0.0036101 k( 92) = ( -0.1781893 0.2368655 0.2964063), wk = 0.0036101 k( 93) = ( -0.1692799 0.2250222 0.2815860), wk = 0.0036101 k( 94) = ( -0.1603704 0.2131789 0.2667657), wk = 0.0036101 k( 95) = ( -0.1514609 0.2013357 0.2519453), wk = 0.0036101 k( 96) = ( -0.1425515 0.1894924 0.2371250), wk = 0.0036101 k( 97) = ( -0.1336420 0.1776491 0.2223047), wk = 0.0036101 k( 98) = ( -0.1247325 0.1658058 0.2074844), wk = 0.0036101 k( 99) = ( -0.1158231 0.1539626 0.1926641), wk = 0.0036101 k( 100) = ( -0.1069136 0.1421193 0.1778438), wk = 0.0036101 k( 101) = ( -0.0980041 0.1302760 0.1630235), wk = 0.0036101 k( 102) = ( -0.0890947 0.1184327 0.1482031), wk = 0.0036101 k( 103) = ( -0.0801852 0.1065895 0.1333828), wk = 0.0036101 k( 104) = ( -0.0712757 0.0947462 0.1185625), wk = 0.0036101 k( 105) = ( -0.0623663 0.0829029 0.1037422), wk = 0.0036101 k( 106) = ( -0.0534568 0.0710596 0.0889219), wk = 0.0036101 k( 107) = ( -0.0445473 0.0592164 0.0741016), wk = 0.0036101 k( 108) = ( -0.0356379 0.0473731 0.0592813), wk = 0.0036101 k( 109) = ( -0.0267284 0.0355298 0.0444609), wk = 0.0036101 k( 110) = ( -0.0178189 0.0236865 0.0296406), wk = 0.0036101 k( 111) = ( -0.0089095 0.0118433 0.0148203), wk = 0.0036101 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 114) = ( 0.0166667 0.0125380 0.0000000), wk = 0.0036101 k( 115) = ( 0.0333333 0.0250760 0.0000000), wk = 0.0036101 k( 116) = ( 0.0500000 0.0376140 0.0000000), wk = 0.0036101 k( 117) = ( 0.0666667 0.0501520 0.0000000), wk = 0.0036101 k( 118) = ( 0.0833333 0.0626901 0.0000000), wk = 0.0036101 k( 119) = ( 0.1000000 0.0752281 0.0000000), wk = 0.0036101 k( 120) = ( 0.1166667 0.0877661 0.0000000), wk = 0.0036101 k( 121) = ( 0.1333333 0.1003041 0.0000000), wk = 0.0036101 k( 122) = ( 0.1500000 0.1128421 0.0000000), wk = 0.0036101 k( 123) = ( 0.1666667 0.1253801 0.0000000), wk = 0.0036101 k( 124) = ( 0.1833333 0.1379181 0.0000000), wk = 0.0036101 k( 125) = ( 0.2000000 0.1504561 0.0000000), wk = 0.0036101 k( 126) = ( 0.2166667 0.1629941 0.0000000), wk = 0.0036101 k( 127) = ( 0.2333333 0.1755322 0.0000000), wk = 0.0036101 k( 128) = ( 0.2500000 0.1880702 0.0000000), wk = 0.0036101 k( 129) = ( 0.2666667 0.2006082 0.0000000), wk = 0.0036101 k( 130) = ( 0.2833333 0.2131462 0.0000000), wk = 0.0036101 k( 131) = ( 0.3000000 0.2256842 0.0000000), wk = 0.0036101 k( 132) = ( 0.3166667 0.2382222 0.0000000), wk = 0.0036101 k( 133) = ( 0.3333333 0.2507602 0.0000000), wk = 0.0036101 k( 134) = ( 0.3500000 0.2632982 0.0000000), wk = 0.0036101 k( 135) = ( 0.3666667 0.2758362 0.0000000), wk = 0.0036101 k( 136) = ( 0.3833333 0.2883743 0.0000000), wk = 0.0036101 k( 137) = ( 0.4000000 0.3009123 0.0000000), wk = 0.0036101 k( 138) = ( 0.4166667 0.3134503 0.0000000), wk = 0.0036101 k( 139) = ( 0.4333333 0.3259883 0.0000000), wk = 0.0036101 k( 140) = ( 0.4500000 0.3385263 0.0000000), wk = 0.0036101 k( 141) = ( 0.4666667 0.3510643 0.0000000), wk = 0.0036101 k( 142) = ( 0.4833333 0.3636023 0.0000000), wk = 0.0036101 k( 143) = ( 0.5000000 0.3761403 0.0000000), wk = 0.0036101 k( 144) = ( 0.5000000 0.3761403 0.0000000), wk = 0.0036101 k( 145) = ( 0.4910370 0.3880547 0.0149093), wk = 0.0036101 k( 146) = ( 0.4820741 0.3999691 0.0298186), wk = 0.0036101 k( 147) = ( 0.4731111 0.4118835 0.0447279), wk = 0.0036101 k( 148) = ( 0.4641481 0.4237979 0.0596372), wk = 0.0036101 k( 149) = ( 0.4551852 0.4357123 0.0745465), wk = 0.0036101 k( 150) = ( 0.4462222 0.4476266 0.0894558), wk = 0.0036101 k( 151) = ( 0.4372593 0.4595410 0.1043651), wk = 0.0036101 k( 152) = ( 0.4282963 0.4714554 0.1192744), wk = 0.0036101 k( 153) = ( 0.4193333 0.4833698 0.1341837), wk = 0.0036101 k( 154) = ( 0.4103704 0.4952842 0.1490930), wk = 0.0036101 k( 155) = ( 0.4014074 0.5071986 0.1640023), wk = 0.0036101 k( 156) = ( 0.3924445 0.5191130 0.1789116), wk = 0.0036101 k( 157) = ( 0.3834815 0.5310273 0.1938209), wk = 0.0036101 k( 158) = ( 0.3745185 0.5429417 0.2087302), wk = 0.0036101 k( 159) = ( 0.3655556 0.5548561 0.2236395), wk = 0.0036101 k( 160) = ( 0.3565926 0.5667705 0.2385488), wk = 0.0036101 k( 161) = ( 0.3476297 0.5786849 0.2534581), wk = 0.0036101 k( 162) = ( 0.3386667 0.5905993 0.2683674), wk = 0.0036101 k( 163) = ( 0.3297037 0.6025136 0.2832767), wk = 0.0036101 k( 164) = ( 0.3207408 0.6144280 0.2981860), wk = 0.0036101 k( 165) = ( 0.3207408 0.6144280 0.2981860), wk = 0.0036101 k( 166) = ( 0.3018737 0.6088966 0.3051079), wk = 0.0036101 k( 167) = ( 0.2830066 0.6033651 0.3120299), wk = 0.0036101 k( 168) = ( 0.2641395 0.5978336 0.3189518), wk = 0.0036101 k( 169) = ( 0.2452724 0.5923021 0.3258737), wk = 0.0036101 k( 170) = ( 0.2264053 0.5867706 0.3327956), wk = 0.0036101 k( 171) = ( 0.2075382 0.5812392 0.3397175), wk = 0.0036101 k( 172) = ( 0.1886710 0.5757077 0.3466395), wk = 0.0036101 k( 173) = ( 0.1698039 0.5701762 0.3535614), wk = 0.0036101 k( 174) = ( 0.1509368 0.5646447 0.3604833), wk = 0.0036101 k( 175) = ( 0.1320697 0.5591133 0.3674052), wk = 0.0036101 k( 176) = ( 0.1132026 0.5535818 0.3743271), wk = 0.0036101 k( 177) = ( 0.0943355 0.5480503 0.3812491), wk = 0.0036101 k( 178) = ( 0.0754684 0.5425188 0.3881710), wk = 0.0036101 k( 179) = ( 0.0566013 0.5369874 0.3950929), wk = 0.0036101 k( 180) = ( 0.0377342 0.5314559 0.4020148), wk = 0.0036101 k( 181) = ( 0.0188671 0.5259244 0.4089367), wk = 0.0036101 k( 182) = ( 0.0000000 0.5203929 0.4158587), wk = 0.0036101 k( 183) = ( 0.0000000 0.5203929 0.4158587), wk = 0.0036101 k( 184) = ( 0.0089286 0.5085243 0.4307108), wk = 0.0036101 k( 185) = ( 0.0178571 0.4966556 0.4455629), wk = 0.0036101 k( 186) = ( 0.0267857 0.4847869 0.4604149), wk = 0.0036101 k( 187) = ( 0.0357143 0.4729183 0.4752671), wk = 0.0036101 k( 188) = ( 0.0446429 0.4610496 0.4901191), wk = 0.0036101 k( 189) = ( 0.0535714 0.4491809 0.5049712), wk = 0.0036101 k( 190) = ( 0.0625000 0.4373122 0.5198233), wk = 0.0036101 k( 191) = ( 0.0714286 0.4254436 0.5346754), wk = 0.0036101 k( 192) = ( 0.0803571 0.4135749 0.5495275), wk = 0.0036101 k( 193) = ( 0.0892857 0.4017062 0.5643796), wk = 0.0036101 k( 194) = ( 0.0982143 0.3898376 0.5792317), wk = 0.0036101 k( 195) = ( 0.1071429 0.3779689 0.5940838), wk = 0.0036101 k( 196) = ( 0.1160714 0.3661002 0.6089359), wk = 0.0036101 k( 197) = ( 0.1250000 0.3542316 0.6237880), wk = 0.0036101 k( 198) = ( 0.1339286 0.3423629 0.6386401), wk = 0.0036101 k( 199) = ( 0.1428571 0.3304942 0.6534922), wk = 0.0036101 k( 200) = ( 0.1517857 0.3186255 0.6683443), wk = 0.0036101 k( 201) = ( 0.1607143 0.3067569 0.6831964), wk = 0.0036101 k( 202) = ( 0.1696429 0.2948882 0.6980485), wk = 0.0036101 k( 203) = ( 0.1785714 0.2830195 0.7129006), wk = 0.0036101 k( 204) = ( 0.1875000 0.2711509 0.7277527), wk = 0.0036101 k( 205) = ( 0.1964286 0.2592822 0.7426048), wk = 0.0036101 k( 206) = ( 0.2053571 0.2474135 0.7574569), wk = 0.0036101 k( 207) = ( 0.2142857 0.2355449 0.7723089), wk = 0.0036101 k( 208) = ( 0.2232143 0.2236762 0.7871611), wk = 0.0036101 k( 209) = ( 0.2321429 0.2118075 0.8020131), wk = 0.0036101 k( 210) = ( 0.2410714 0.1999388 0.8168652), wk = 0.0036101 k( 211) = ( 0.2500000 0.1880702 0.8317173), wk = 0.0036101 k( 212) = ( 0.2500000 0.1880702 0.8317173), wk = 0.0036101 k( 213) = ( 0.2631579 0.1979686 0.8193307), wk = 0.0036101 k( 214) = ( 0.2763158 0.2078670 0.8069441), wk = 0.0036101 k( 215) = ( 0.2894737 0.2177655 0.7945575), wk = 0.0036101 k( 216) = ( 0.3026316 0.2276639 0.7821709), wk = 0.0036101 k( 217) = ( 0.3157895 0.2375623 0.7697843), wk = 0.0036101 k( 218) = ( 0.3289474 0.2474607 0.7573978), wk = 0.0036101 k( 219) = ( 0.3421053 0.2573592 0.7450112), wk = 0.0036101 k( 220) = ( 0.3552632 0.2672576 0.7326246), wk = 0.0036101 k( 221) = ( 0.3684211 0.2771560 0.7202380), wk = 0.0036101 k( 222) = ( 0.3815789 0.2870545 0.7078514), wk = 0.0036101 k( 223) = ( 0.3947368 0.2969529 0.6954648), wk = 0.0036101 k( 224) = ( 0.4078947 0.3068513 0.6830782), wk = 0.0036101 k( 225) = ( 0.4210526 0.3167498 0.6706916), wk = 0.0036101 k( 226) = ( 0.4342105 0.3266482 0.6583050), wk = 0.0036101 k( 227) = ( 0.4473684 0.3365466 0.6459184), wk = 0.0036101 k( 228) = ( 0.4605263 0.3464450 0.6335318), wk = 0.0036101 k( 229) = ( 0.4736842 0.3563435 0.6211452), wk = 0.0036101 k( 230) = ( 0.4868421 0.3662419 0.6087586), wk = 0.0036101 k( 231) = ( 0.5000000 0.3761403 0.5963720), wk = 0.0036101 k( 232) = ( 0.5000000 0.3761403 0.5963720), wk = 0.0036101 k( 233) = ( 0.5000000 0.3761403 0.5758075), wk = 0.0036101 k( 234) = ( 0.5000000 0.3761403 0.5552429), wk = 0.0036101 k( 235) = ( 0.5000000 0.3761403 0.5346784), wk = 0.0036101 k( 236) = ( 0.5000000 0.3761403 0.5141138), wk = 0.0036101 k( 237) = ( 0.5000000 0.3761403 0.4935493), wk = 0.0036101 k( 238) = ( 0.5000000 0.3761403 0.4729847), wk = 0.0036101 k( 239) = ( 0.5000000 0.3761403 0.4524202), wk = 0.0036101 k( 240) = ( 0.5000000 0.3761403 0.4318556), wk = 0.0036101 k( 241) = ( 0.5000000 0.3761403 0.4112911), wk = 0.0036101 k( 242) = ( 0.5000000 0.3761403 0.3907265), wk = 0.0036101 k( 243) = ( 0.5000000 0.3761403 0.3701619), wk = 0.0036101 k( 244) = ( 0.5000000 0.3761403 0.3495974), wk = 0.0036101 k( 245) = ( 0.5000000 0.3761403 0.3290328), wk = 0.0036101 k( 246) = ( 0.5000000 0.3761403 0.3084683), wk = 0.0036101 k( 247) = ( 0.5000000 0.3761403 0.2879037), wk = 0.0036101 k( 248) = ( 0.5000000 0.3761403 0.2673392), wk = 0.0036101 k( 249) = ( 0.5000000 0.3761403 0.2467746), wk = 0.0036101 k( 250) = ( 0.5000000 0.3761403 0.2262101), wk = 0.0036101 k( 251) = ( 0.5000000 0.3761403 0.2056455), wk = 0.0036101 k( 252) = ( 0.5000000 0.3761403 0.1850810), wk = 0.0036101 k( 253) = ( 0.5000000 0.3761403 0.1645164), wk = 0.0036101 k( 254) = ( 0.5000000 0.3761403 0.1439519), wk = 0.0036101 k( 255) = ( 0.5000000 0.3761403 0.1233873), wk = 0.0036101 k( 256) = ( 0.5000000 0.3761403 0.1028228), wk = 0.0036101 k( 257) = ( 0.5000000 0.3761403 0.0822582), wk = 0.0036101 k( 258) = ( 0.5000000 0.3761403 0.0616937), wk = 0.0036101 k( 259) = ( 0.5000000 0.3761403 0.0411291), wk = 0.0036101 k( 260) = ( 0.5000000 0.3761403 0.0205646), wk = 0.0036101 k( 261) = ( 0.5000000 0.3761403 0.0000000), wk = 0.0036101 k( 262) = ( 0.0000000 0.0000000 0.8317173), wk = 0.0036101 k( 263) = ( 0.0166667 0.0125380 0.8317173), wk = 0.0036101 k( 264) = ( 0.0333333 0.0250760 0.8317173), wk = 0.0036101 k( 265) = ( 0.0500000 0.0376140 0.8317173), wk = 0.0036101 k( 266) = ( 0.0666667 0.0501520 0.8317173), wk = 0.0036101 k( 267) = ( 0.0833333 0.0626901 0.8317173), wk = 0.0036101 k( 268) = ( 0.1000000 0.0752281 0.8317173), wk = 0.0036101 k( 269) = ( 0.1166667 0.0877661 0.8317173), wk = 0.0036101 k( 270) = ( 0.1333333 0.1003041 0.8317173), wk = 0.0036101 k( 271) = ( 0.1500000 0.1128421 0.8317173), wk = 0.0036101 k( 272) = ( 0.1666667 0.1253801 0.8317173), wk = 0.0036101 k( 273) = ( 0.1833333 0.1379181 0.8317173), wk = 0.0036101 k( 274) = ( 0.2000000 0.1504561 0.8317173), wk = 0.0036101 k( 275) = ( 0.2166667 0.1629941 0.8317173), wk = 0.0036101 k( 276) = ( 0.2333333 0.1755322 0.8317173), wk = 0.0036101 k( 277) = ( 0.2500000 0.1880702 0.8317173), wk = 0.0036101 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 2) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0036101 k( 3) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0036101 k( 4) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0036101 k( 5) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0036101 k( 6) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0036101 k( 7) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0036101 k( 8) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0036101 k( 9) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0036101 k( 10) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0036101 k( 11) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0036101 k( 12) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0036101 k( 13) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0036101 k( 14) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0036101 k( 15) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0036101 k( 16) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0036101 k( 17) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0036101 k( 18) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0036101 k( 19) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0036101 k( 20) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0036101 k( 21) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0036101 k( 22) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0036101 k( 23) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0036101 k( 24) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0036101 k( 25) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0036101 k( 26) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0036101 k( 27) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0036101 k( 28) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0036101 k( 29) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0036101 k( 30) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0036101 k( 31) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0036101 k( 32) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0036101 k( 33) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0036101 k( 34) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0036101 k( 35) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0036101 k( 36) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0036101 k( 37) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0036101 k( 38) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0036101 k( 39) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0036101 k( 40) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0036101 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036101 k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036101 k( 43) = ( -0.0117901 0.0117901 0.5000000), wk = 0.0036101 k( 44) = ( -0.0235803 0.0235803 0.5000000), wk = 0.0036101 k( 45) = ( -0.0353704 0.0353704 0.5000000), wk = 0.0036101 k( 46) = ( -0.0471605 0.0471605 0.5000000), wk = 0.0036101 k( 47) = ( -0.0589506 0.0589506 0.5000000), wk = 0.0036101 k( 48) = ( -0.0707408 0.0707408 0.5000000), wk = 0.0036101 k( 49) = ( -0.0825309 0.0825309 0.5000000), wk = 0.0036101 k( 50) = ( -0.0943210 0.0943210 0.5000000), wk = 0.0036101 k( 51) = ( -0.1061112 0.1061112 0.5000000), wk = 0.0036101 k( 52) = ( -0.1179013 0.1179013 0.5000000), wk = 0.0036101 k( 53) = ( -0.1296914 0.1296914 0.5000000), wk = 0.0036101 k( 54) = ( -0.1414816 0.1414816 0.5000000), wk = 0.0036101 k( 55) = ( -0.1414816 0.1414816 0.5000000), wk = 0.0036101 k( 56) = ( -0.1504445 0.1504445 0.4910370), wk = 0.0036101 k( 57) = ( -0.1594075 0.1594075 0.4820741), wk = 0.0036101 k( 58) = ( -0.1683704 0.1683704 0.4731111), wk = 0.0036101 k( 59) = ( -0.1773334 0.1773334 0.4641481), wk = 0.0036101 k( 60) = ( -0.1862963 0.1862963 0.4551852), wk = 0.0036101 k( 61) = ( -0.1952593 0.1952593 0.4462222), wk = 0.0036101 k( 62) = ( -0.2042223 0.2042223 0.4372593), wk = 0.0036101 k( 63) = ( -0.2131852 0.2131852 0.4282963), wk = 0.0036101 k( 64) = ( -0.2221482 0.2221482 0.4193333), wk = 0.0036101 k( 65) = ( -0.2311112 0.2311112 0.4103704), wk = 0.0036101 k( 66) = ( -0.2400741 0.2400741 0.4014074), wk = 0.0036101 k( 67) = ( -0.2490371 0.2490371 0.3924445), wk = 0.0036101 k( 68) = ( -0.2580000 0.2580000 0.3834815), wk = 0.0036101 k( 69) = ( -0.2669630 0.2669630 0.3745185), wk = 0.0036101 k( 70) = ( -0.2759260 0.2759260 0.3655556), wk = 0.0036101 k( 71) = ( -0.2848889 0.2848889 0.3565926), wk = 0.0036101 k( 72) = ( -0.2938519 0.2938519 0.3476297), wk = 0.0036101 k( 73) = ( -0.3028149 0.3028149 0.3386667), wk = 0.0036101 k( 74) = ( -0.3117778 0.3117778 0.3297037), wk = 0.0036101 k( 75) = ( -0.3207408 0.3207408 0.3207408), wk = 0.0036101 k( 76) = ( -0.3207408 0.3207408 0.3207408), wk = 0.0036101 k( 77) = ( -0.3118313 0.3118313 0.3118313), wk = 0.0036101 k( 78) = ( -0.3029218 0.3029218 0.3029218), wk = 0.0036101 k( 79) = ( -0.2940124 0.2940124 0.2940124), wk = 0.0036101 k( 80) = ( -0.2851029 0.2851029 0.2851029), wk = 0.0036101 k( 81) = ( -0.2761934 0.2761934 0.2761934), wk = 0.0036101 k( 82) = ( -0.2672840 0.2672840 0.2672840), wk = 0.0036101 k( 83) = ( -0.2583745 0.2583745 0.2583745), wk = 0.0036101 k( 84) = ( -0.2494650 0.2494651 0.2494650), wk = 0.0036101 k( 85) = ( -0.2405556 0.2405556 0.2405556), wk = 0.0036101 k( 86) = ( -0.2316461 0.2316461 0.2316461), wk = 0.0036101 k( 87) = ( -0.2227367 0.2227367 0.2227367), wk = 0.0036101 k( 88) = ( -0.2138272 0.2138272 0.2138272), wk = 0.0036101 k( 89) = ( -0.2049177 0.2049177 0.2049177), wk = 0.0036101 k( 90) = ( -0.1960082 0.1960083 0.1960082), wk = 0.0036101 k( 91) = ( -0.1870988 0.1870988 0.1870988), wk = 0.0036101 k( 92) = ( -0.1781893 0.1781893 0.1781893), wk = 0.0036101 k( 93) = ( -0.1692799 0.1692799 0.1692799), wk = 0.0036101 k( 94) = ( -0.1603704 0.1603704 0.1603704), wk = 0.0036101 k( 95) = ( -0.1514609 0.1514609 0.1514609), wk = 0.0036101 k( 96) = ( -0.1425515 0.1425515 0.1425515), wk = 0.0036101 k( 97) = ( -0.1336420 0.1336420 0.1336420), wk = 0.0036101 k( 98) = ( -0.1247325 0.1247325 0.1247325), wk = 0.0036101 k( 99) = ( -0.1158231 0.1158231 0.1158231), wk = 0.0036101 k( 100) = ( -0.1069136 0.1069136 0.1069136), wk = 0.0036101 k( 101) = ( -0.0980041 0.0980041 0.0980041), wk = 0.0036101 k( 102) = ( -0.0890947 0.0890947 0.0890947), wk = 0.0036101 k( 103) = ( -0.0801852 0.0801852 0.0801852), wk = 0.0036101 k( 104) = ( -0.0712757 0.0712757 0.0712757), wk = 0.0036101 k( 105) = ( -0.0623663 0.0623663 0.0623663), wk = 0.0036101 k( 106) = ( -0.0534568 0.0534568 0.0534568), wk = 0.0036101 k( 107) = ( -0.0445473 0.0445473 0.0445473), wk = 0.0036101 k( 108) = ( -0.0356379 0.0356379 0.0356379), wk = 0.0036101 k( 109) = ( -0.0267284 0.0267284 0.0267284), wk = 0.0036101 k( 110) = ( -0.0178189 0.0178189 0.0178189), wk = 0.0036101 k( 111) = ( -0.0089095 0.0089095 0.0089095), wk = 0.0036101 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 114) = ( 0.0166667 0.0166667 -0.0166667), wk = 0.0036101 k( 115) = ( 0.0333333 0.0333333 -0.0333333), wk = 0.0036101 k( 116) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0036101 k( 117) = ( 0.0666667 0.0666667 -0.0666667), wk = 0.0036101 k( 118) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0036101 k( 119) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0036101 k( 120) = ( 0.1166667 0.1166667 -0.1166667), wk = 0.0036101 k( 121) = ( 0.1333333 0.1333333 -0.1333333), wk = 0.0036101 k( 122) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0036101 k( 123) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0036101 k( 124) = ( 0.1833333 0.1833333 -0.1833333), wk = 0.0036101 k( 125) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0036101 k( 126) = ( 0.2166667 0.2166667 -0.2166667), wk = 0.0036101 k( 127) = ( 0.2333333 0.2333333 -0.2333333), wk = 0.0036101 k( 128) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0036101 k( 129) = ( 0.2666667 0.2666667 -0.2666667), wk = 0.0036101 k( 130) = ( 0.2833333 0.2833333 -0.2833333), wk = 0.0036101 k( 131) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0036101 k( 132) = ( 0.3166667 0.3166667 -0.3166667), wk = 0.0036101 k( 133) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0036101 k( 134) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0036101 k( 135) = ( 0.3666667 0.3666667 -0.3666667), wk = 0.0036101 k( 136) = ( 0.3833333 0.3833333 -0.3833333), wk = 0.0036101 k( 137) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0036101 k( 138) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0036101 k( 139) = ( 0.4333333 0.4333333 -0.4333333), wk = 0.0036101 k( 140) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0036101 k( 141) = ( 0.4666667 0.4666667 -0.4666667), wk = 0.0036101 k( 142) = ( 0.4833333 0.4833333 -0.4833333), wk = 0.0036101 k( 143) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036101 k( 144) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036101 k( 145) = ( 0.4910370 0.5089630 -0.4910370), wk = 0.0036101 k( 146) = ( 0.4820741 0.5179259 -0.4820741), wk = 0.0036101 k( 147) = ( 0.4731111 0.5268889 -0.4731111), wk = 0.0036101 k( 148) = ( 0.4641481 0.5358519 -0.4641481), wk = 0.0036101 k( 149) = ( 0.4551852 0.5448148 -0.4551852), wk = 0.0036101 k( 150) = ( 0.4462222 0.5537778 -0.4462222), wk = 0.0036101 k( 151) = ( 0.4372593 0.5627407 -0.4372593), wk = 0.0036101 k( 152) = ( 0.4282963 0.5717037 -0.4282963), wk = 0.0036101 k( 153) = ( 0.4193333 0.5806667 -0.4193334), wk = 0.0036101 k( 154) = ( 0.4103704 0.5896296 -0.4103704), wk = 0.0036101 k( 155) = ( 0.4014074 0.5985926 -0.4014074), wk = 0.0036101 k( 156) = ( 0.3924445 0.6075555 -0.3924445), wk = 0.0036101 k( 157) = ( 0.3834815 0.6165185 -0.3834815), wk = 0.0036101 k( 158) = ( 0.3745185 0.6254815 -0.3745185), wk = 0.0036101 k( 159) = ( 0.3655556 0.6344444 -0.3655556), wk = 0.0036101 k( 160) = ( 0.3565926 0.6434074 -0.3565926), wk = 0.0036101 k( 161) = ( 0.3476297 0.6523703 -0.3476297), wk = 0.0036101 k( 162) = ( 0.3386667 0.6613333 -0.3386667), wk = 0.0036101 k( 163) = ( 0.3297037 0.6702963 -0.3297037), wk = 0.0036101 k( 164) = ( 0.3207408 0.6792592 -0.3207408), wk = 0.0036101 k( 165) = ( 0.3207408 0.6792592 -0.3207408), wk = 0.0036101 k( 166) = ( 0.3018737 0.6687146 -0.3018737), wk = 0.0036101 k( 167) = ( 0.2830066 0.6581699 -0.2830066), wk = 0.0036101 k( 168) = ( 0.2641395 0.6476253 -0.2641395), wk = 0.0036101 k( 169) = ( 0.2452724 0.6370806 -0.2452724), wk = 0.0036101 k( 170) = ( 0.2264053 0.6265359 -0.2264053), wk = 0.0036101 k( 171) = ( 0.2075382 0.6159913 -0.2075382), wk = 0.0036101 k( 172) = ( 0.1886710 0.6054466 -0.1886710), wk = 0.0036101 k( 173) = ( 0.1698039 0.5949019 -0.1698039), wk = 0.0036101 k( 174) = ( 0.1509368 0.5843573 -0.1509368), wk = 0.0036101 k( 175) = ( 0.1320697 0.5738126 -0.1320697), wk = 0.0036101 k( 176) = ( 0.1132026 0.5632680 -0.1132026), wk = 0.0036101 k( 177) = ( 0.0943355 0.5527233 -0.0943355), wk = 0.0036101 k( 178) = ( 0.0754684 0.5421786 -0.0754684), wk = 0.0036101 k( 179) = ( 0.0566013 0.5316340 -0.0566013), wk = 0.0036101 k( 180) = ( 0.0377342 0.5210893 -0.0377342), wk = 0.0036101 k( 181) = ( 0.0188671 0.5105447 -0.0188671), wk = 0.0036101 k( 182) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036101 k( 183) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036101 k( 184) = ( 0.0089286 0.4910714 0.0089286), wk = 0.0036101 k( 185) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0036101 k( 186) = ( 0.0267857 0.4732143 0.0267857), wk = 0.0036101 k( 187) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0036101 k( 188) = ( 0.0446429 0.4553571 0.0446429), wk = 0.0036101 k( 189) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0036101 k( 190) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0036101 k( 191) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0036101 k( 192) = ( 0.0803571 0.4196429 0.0803571), wk = 0.0036101 k( 193) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0036101 k( 194) = ( 0.0982143 0.4017857 0.0982143), wk = 0.0036101 k( 195) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0036101 k( 196) = ( 0.1160714 0.3839286 0.1160714), wk = 0.0036101 k( 197) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0036101 k( 198) = ( 0.1339286 0.3660714 0.1339286), wk = 0.0036101 k( 199) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0036101 k( 200) = ( 0.1517857 0.3482143 0.1517857), wk = 0.0036101 k( 201) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0036101 k( 202) = ( 0.1696429 0.3303571 0.1696429), wk = 0.0036101 k( 203) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0036101 k( 204) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0036101 k( 205) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0036101 k( 206) = ( 0.2053571 0.2946429 0.2053571), wk = 0.0036101 k( 207) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0036101 k( 208) = ( 0.2232143 0.2767857 0.2232143), wk = 0.0036101 k( 209) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0036101 k( 210) = ( 0.2410714 0.2589286 0.2410714), wk = 0.0036101 k( 211) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036101 k( 212) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036101 k( 213) = ( 0.2631579 0.2631579 0.2293957), wk = 0.0036101 k( 214) = ( 0.2763158 0.2763158 0.2087914), wk = 0.0036101 k( 215) = ( 0.2894737 0.2894737 0.1881871), wk = 0.0036101 k( 216) = ( 0.3026316 0.3026316 0.1675828), wk = 0.0036101 k( 217) = ( 0.3157895 0.3157895 0.1469785), wk = 0.0036101 k( 218) = ( 0.3289474 0.3289474 0.1263743), wk = 0.0036101 k( 219) = ( 0.3421053 0.3421053 0.1057700), wk = 0.0036101 k( 220) = ( 0.3552632 0.3552632 0.0851657), wk = 0.0036101 k( 221) = ( 0.3684211 0.3684211 0.0645614), wk = 0.0036101 k( 222) = ( 0.3815789 0.3815789 0.0439571), wk = 0.0036101 k( 223) = ( 0.3947368 0.3947368 0.0233528), wk = 0.0036101 k( 224) = ( 0.4078947 0.4078947 0.0027485), wk = 0.0036101 k( 225) = ( 0.4210526 0.4210526 -0.0178558), wk = 0.0036101 k( 226) = ( 0.4342105 0.4342105 -0.0384601), wk = 0.0036101 k( 227) = ( 0.4473684 0.4473684 -0.0590644), wk = 0.0036101 k( 228) = ( 0.4605263 0.4605263 -0.0796687), wk = 0.0036101 k( 229) = ( 0.4736842 0.4736842 -0.1002730), wk = 0.0036101 k( 230) = ( 0.4868421 0.4868421 -0.1208773), wk = 0.0036101 k( 231) = ( 0.5000000 0.5000000 -0.1414816), wk = 0.0036101 k( 232) = ( 0.5000000 0.5000000 -0.1414816), wk = 0.0036101 k( 233) = ( 0.5000000 0.5000000 -0.1538443), wk = 0.0036101 k( 234) = ( 0.5000000 0.5000000 -0.1662070), wk = 0.0036101 k( 235) = ( 0.5000000 0.5000000 -0.1785697), wk = 0.0036101 k( 236) = ( 0.5000000 0.5000000 -0.1909324), wk = 0.0036101 k( 237) = ( 0.5000000 0.5000000 -0.2032951), wk = 0.0036101 k( 238) = ( 0.5000000 0.5000000 -0.2156578), wk = 0.0036101 k( 239) = ( 0.5000000 0.5000000 -0.2280205), wk = 0.0036101 k( 240) = ( 0.5000000 0.5000000 -0.2403832), wk = 0.0036101 k( 241) = ( 0.5000000 0.5000000 -0.2527459), wk = 0.0036101 k( 242) = ( 0.5000000 0.5000000 -0.2651086), wk = 0.0036101 k( 243) = ( 0.5000000 0.5000000 -0.2774713), wk = 0.0036101 k( 244) = ( 0.5000000 0.5000000 -0.2898340), wk = 0.0036101 k( 245) = ( 0.5000000 0.5000000 -0.3021967), wk = 0.0036101 k( 246) = ( 0.5000000 0.5000000 -0.3145594), wk = 0.0036101 k( 247) = ( 0.5000000 0.5000000 -0.3269221), wk = 0.0036101 k( 248) = ( 0.5000000 0.5000000 -0.3392848), wk = 0.0036101 k( 249) = ( 0.5000000 0.5000000 -0.3516475), wk = 0.0036101 k( 250) = ( 0.5000000 0.5000000 -0.3640102), wk = 0.0036101 k( 251) = ( 0.5000000 0.5000000 -0.3763730), wk = 0.0036101 k( 252) = ( 0.5000000 0.5000000 -0.3887357), wk = 0.0036101 k( 253) = ( 0.5000000 0.5000000 -0.4010984), wk = 0.0036101 k( 254) = ( 0.5000000 0.5000000 -0.4134611), wk = 0.0036101 k( 255) = ( 0.5000000 0.5000000 -0.4258238), wk = 0.0036101 k( 256) = ( 0.5000000 0.5000000 -0.4381865), wk = 0.0036101 k( 257) = ( 0.5000000 0.5000000 -0.4505492), wk = 0.0036101 k( 258) = ( 0.5000000 0.5000000 -0.4629119), wk = 0.0036101 k( 259) = ( 0.5000000 0.5000000 -0.4752746), wk = 0.0036101 k( 260) = ( 0.5000000 0.5000000 -0.4876373), wk = 0.0036101 k( 261) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036101 k( 262) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036101 k( 263) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0036101 k( 264) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0036101 k( 265) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0036101 k( 266) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0036101 k( 267) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0036101 k( 268) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0036101 k( 269) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0036101 k( 270) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0036101 k( 271) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0036101 k( 272) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0036101 k( 273) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0036101 k( 274) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0036101 k( 275) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0036101 k( 276) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0036101 k( 277) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036101 Dense grid: 167045 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 44523 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 246, 50) NL pseudopotentials 0.24 Mb ( 123, 130) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.03 Mb ( 3480) G-vector shells 0.01 Mb ( 1593) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.75 Mb ( 246, 200) Each subspace H/S matrix 0.61 Mb ( 200, 200) Each matrix 0.20 Mb ( 130, 2, 50) The potential is recalculated from file : ./Al2HgSe4.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 47.3 secs Computing kpt #: 2 total cpu time spent up to now is 52.3 secs Computing kpt #: 3 total cpu time spent up to now is 56.9 secs Computing kpt #: 4 total cpu time spent up to now is 61.5 secs Computing kpt #: 5 total cpu time spent up to now is 68.5 secs Computing kpt #: 6 total cpu time spent up to now is 74.0 secs Computing kpt #: 7 total cpu time spent up to now is 77.9 secs Computing kpt #: 8 total cpu time spent up to now is 82.1 secs Computing kpt #: 9 total cpu time spent up to now is 85.9 secs Computing kpt #: 10 total cpu time spent up to now is 89.8 secs Computing kpt #: 11 total cpu time spent up to now is 93.6 secs Computing kpt #: 12 total cpu time spent up to now is 97.4 secs Computing kpt #: 13 total cpu time spent up to now is 101.0 secs Computing kpt #: 14 total cpu time spent up to now is 104.6 secs Computing kpt #: 15 total cpu time spent up to now is 108.2 secs Computing kpt #: 16 total cpu time spent up to now is 112.1 secs Computing kpt #: 17 total cpu time spent up to now is 115.8 secs Computing kpt #: 18 total cpu time spent up to now is 119.5 secs Computing kpt #: 19 total cpu time spent up to now is 123.2 secs Computing kpt #: 20 total cpu time spent up to now is 127.1 secs Computing kpt #: 21 total cpu time spent up to now is 131.1 secs Computing kpt #: 22 total cpu time spent up to now is 135.3 secs Computing kpt #: 23 total cpu time spent up to now is 139.5 secs Computing kpt #: 24 total cpu time spent up to now is 143.8 secs Computing kpt #: 25 total cpu time spent up to now is 147.8 secs Computing kpt #: 26 total cpu time spent up to now is 151.5 secs Computing kpt #: 27 total cpu time spent up to now is 155.2 secs Computing kpt #: 28 total cpu time spent up to now is 160.3 secs Computing kpt #: 29 total cpu time spent up to now is 164.0 secs Computing kpt #: 30 total cpu time spent up to now is 167.5 secs Computing kpt #: 31 total cpu time spent up to now is 171.1 secs Computing kpt #: 32 total cpu time spent up to now is 174.7 secs Computing kpt #: 33 total cpu time spent up to now is 178.3 secs Computing kpt #: 34 total cpu time spent up to now is 181.9 secs Computing kpt #: 35 total cpu time spent up to now is 185.4 secs Computing kpt #: 36 total cpu time spent up to now is 189.0 secs Computing kpt #: 37 total cpu time spent up to now is 192.5 secs Computing kpt #: 38 total cpu time spent up to now is 196.0 secs Computing kpt #: 39 total cpu time spent up to now is 199.6 secs Computing kpt #: 40 total cpu time spent up to now is 203.1 secs Computing kpt #: 41 total cpu time spent up to now is 206.7 secs Computing kpt #: 42 total cpu time spent up to now is 210.2 secs Computing kpt #: 43 total cpu time spent up to now is 214.0 secs Computing kpt #: 44 total cpu time spent up to now is 217.6 secs Computing kpt #: 45 total cpu time spent up to now is 221.5 secs Computing kpt #: 46 total cpu time spent up to now is 225.6 secs Computing kpt #: 47 total cpu time spent up to now is 229.5 secs Computing kpt #: 48 total cpu time spent up to now is 233.1 secs Computing kpt #: 49 total cpu time spent up to now is 236.7 secs Computing kpt #: 50 total cpu time spent up to now is 240.4 secs Computing kpt #: 51 total cpu time spent up to now is 244.1 secs Computing kpt #: 52 total cpu time spent up to now is 248.1 secs Computing kpt #: 53 total cpu time spent up to now is 252.0 secs Computing kpt #: 54 total cpu time spent up to now is 256.1 secs Computing kpt #: 55 total cpu time spent up to now is 260.0 secs Computing kpt #: 56 total cpu time spent up to now is 264.0 secs Computing kpt #: 57 total cpu time spent up to now is 267.8 secs Computing kpt #: 58 total cpu time spent up to now is 271.5 secs Computing kpt #: 59 total cpu time spent up to now is 275.3 secs Computing kpt #: 60 total cpu time spent up to now is 278.9 secs Computing kpt #: 61 total cpu time spent up to now is 282.6 secs Computing kpt #: 62 total cpu time spent up to now is 286.3 secs Computing kpt #: 63 total cpu time spent up to now is 290.0 secs Computing kpt #: 64 total cpu time spent up to now is 293.7 secs Computing kpt #: 65 total cpu time spent up to now is 297.4 secs Computing kpt #: 66 total cpu time spent up to now is 301.2 secs Computing kpt #: 67 total cpu time spent up to now is 305.0 secs Computing kpt #: 68 total cpu time spent up to now is 308.8 secs Computing kpt #: 69 total cpu time spent up to now is 312.5 secs Computing kpt #: 70 total cpu time spent up to now is 316.2 secs Computing kpt #: 71 total cpu time spent up to now is 319.9 secs Computing kpt #: 72 total cpu time spent up to now is 325.3 secs Computing kpt #: 73 total cpu time spent up to now is 329.0 secs Computing kpt #: 74 total cpu time spent up to now is 332.7 secs Computing kpt #: 75 total cpu time spent up to now is 336.4 secs Computing kpt #: 76 total cpu time spent up to now is 340.0 secs Computing kpt #: 77 total cpu time spent up to now is 343.7 secs Computing kpt #: 78 total cpu time spent up to now is 347.3 secs Computing kpt #: 79 total cpu time spent up to now is 351.0 secs Computing kpt #: 80 total cpu time spent up to now is 354.6 secs Computing kpt #: 81 total cpu time spent up to now is 358.2 secs Computing kpt #: 82 total cpu time spent up to now is 362.3 secs Computing kpt #: 83 total cpu time spent up to now is 369.5 secs Computing kpt #: 84 total cpu time spent up to now is 373.2 secs Computing kpt #: 85 total cpu time spent up to now is 377.0 secs Computing kpt #: 86 total cpu time spent up to now is 380.7 secs Computing kpt #: 87 total cpu time spent up to now is 384.5 secs Computing kpt #: 88 total cpu time spent up to now is 388.4 secs Computing kpt #: 89 total cpu time spent up to now is 392.2 secs Computing kpt #: 90 total cpu time spent up to now is 396.0 secs Computing kpt #: 91 total cpu time spent up to now is 400.1 secs Computing kpt #: 92 total cpu time spent up to now is 404.2 secs Computing kpt #: 93 total cpu time spent up to now is 408.2 secs Computing kpt #: 94 total cpu time spent up to now is 412.3 secs Computing kpt #: 95 total cpu time spent up to now is 416.3 secs Computing kpt #: 96 total cpu time spent up to now is 420.3 secs Computing kpt #: 97 total cpu time spent up to now is 424.2 secs Computing kpt #: 98 total cpu time spent up to now is 428.1 secs Computing kpt #: 99 total cpu time spent up to now is 432.9 secs Computing kpt #: 100 total cpu time spent up to now is 436.7 secs Computing kpt #: 101 total cpu time spent up to now is 440.6 secs Computing kpt #: 102 total cpu time spent up to now is 444.5 secs Computing kpt #: 103 total cpu time spent up to now is 448.4 secs Computing kpt #: 104 total cpu time spent up to now is 452.4 secs Computing kpt #: 105 total cpu time spent up to now is 456.4 secs Computing kpt #: 106 total cpu time spent up to now is 460.5 secs Computing kpt #: 107 total cpu time spent up to now is 464.6 secs Computing kpt #: 108 total cpu time spent up to now is 469.1 secs Computing kpt #: 109 total cpu time spent up to now is 473.6 secs Computing kpt #: 110 total cpu time spent up to now is 478.1 secs Computing kpt #: 111 total cpu time spent up to now is 483.2 secs Computing kpt #: 112 total cpu time spent up to now is 487.5 secs Computing kpt #: 113 total cpu time spent up to now is 492.5 secs Computing kpt #: 114 total cpu time spent up to now is 497.0 secs Computing kpt #: 115 total cpu time spent up to now is 501.7 secs Computing kpt #: 116 total cpu time spent up to now is 505.8 secs Computing kpt #: 117 total cpu time spent up to now is 511.9 secs Computing kpt #: 118 total cpu time spent up to now is 516.3 secs Computing kpt #: 119 total cpu time spent up to now is 520.2 secs Computing kpt #: 120 total cpu time spent up to now is 524.1 secs Computing kpt #: 121 total cpu time spent up to now is 527.9 secs Computing kpt #: 122 total cpu time spent up to now is 531.7 secs Computing kpt #: 123 total cpu time spent up to now is 535.6 secs Computing kpt #: 124 total cpu time spent up to now is 539.3 secs Computing kpt #: 125 total cpu time spent up to now is 543.0 secs Computing kpt #: 126 total cpu time spent up to now is 546.7 secs Computing kpt #: 127 total cpu time spent up to now is 550.4 secs Computing kpt #: 128 total cpu time spent up to now is 554.2 secs Computing kpt #: 129 total cpu time spent up to now is 557.9 secs Computing kpt #: 130 total cpu time spent up to now is 561.7 secs Computing kpt #: 131 total cpu time spent up to now is 565.3 secs Computing kpt #: 132 total cpu time spent up to now is 568.9 secs Computing kpt #: 133 total cpu time spent up to now is 573.0 secs Computing kpt #: 134 total cpu time spent up to now is 576.8 secs Computing kpt #: 135 total cpu time spent up to now is 580.7 secs Computing kpt #: 136 total cpu time spent up to now is 584.3 secs Computing kpt #: 137 total cpu time spent up to now is 588.0 secs Computing kpt #: 138 total cpu time spent up to now is 591.7 secs Computing kpt #: 139 total cpu time spent up to now is 595.5 secs Computing kpt #: 140 total cpu time spent up to now is 599.1 secs Computing kpt #: 141 total cpu time spent up to now is 602.8 secs Computing kpt #: 142 total cpu time spent up to now is 606.4 secs Computing kpt #: 143 total cpu time spent up to now is 609.9 secs Computing kpt #: 144 total cpu time spent up to now is 613.3 secs Computing kpt #: 145 total cpu time spent up to now is 616.9 secs Computing kpt #: 146 total cpu time spent up to now is 620.5 secs Computing kpt #: 147 total cpu time spent up to now is 624.0 secs Computing kpt #: 148 total cpu time spent up to now is 627.6 secs Computing kpt #: 149 total cpu time spent up to now is 631.2 secs Computing kpt #: 150 total cpu time spent up to now is 634.9 secs Computing kpt #: 151 total cpu time spent up to now is 638.6 secs Computing kpt #: 152 total cpu time spent up to now is 642.4 secs Computing kpt #: 153 total cpu time spent up to now is 647.6 secs Computing kpt #: 154 total cpu time spent up to now is 651.6 secs Computing kpt #: 155 total cpu time spent up to now is 655.4 secs Computing kpt #: 156 total cpu time spent up to now is 659.2 secs Computing kpt #: 157 total cpu time spent up to now is 663.7 secs Computing kpt #: 158 total cpu time spent up to now is 667.8 secs Computing kpt #: 159 total cpu time spent up to now is 671.5 secs Computing kpt #: 160 total cpu time spent up to now is 675.3 secs Computing kpt #: 161 total cpu time spent up to now is 679.1 secs Computing kpt #: 162 total cpu time spent up to now is 682.9 secs Computing kpt #: 163 total cpu time spent up to now is 686.6 secs Computing kpt #: 164 total cpu time spent up to now is 690.3 secs Computing kpt #: 165 total cpu time spent up to now is 693.9 secs Computing kpt #: 166 total cpu time spent up to now is 697.7 secs Computing kpt #: 167 total cpu time spent up to now is 701.4 secs Computing kpt #: 168 total cpu time spent up to now is 705.1 secs Computing kpt #: 169 total cpu time spent up to now is 709.1 secs Computing kpt #: 170 total cpu time spent up to now is 713.1 secs Computing kpt #: 171 total cpu time spent up to now is 716.6 secs Computing kpt #: 172 total cpu time spent up to now is 720.2 secs Computing kpt #: 173 total cpu time spent up to now is 723.7 secs Computing kpt #: 174 total cpu time spent up to now is 727.3 secs Computing kpt #: 175 total cpu time spent up to now is 730.8 secs Computing kpt #: 176 total cpu time spent up to now is 734.3 secs Computing kpt #: 177 total cpu time spent up to now is 739.6 secs Computing kpt #: 178 total cpu time spent up to now is 743.2 secs Computing kpt #: 179 total cpu time spent up to now is 746.8 secs Computing kpt #: 180 total cpu time spent up to now is 750.4 secs Computing kpt #: 181 total cpu time spent up to now is 754.1 secs Computing kpt #: 182 total cpu time spent up to now is 757.6 secs Computing kpt #: 183 total cpu time spent up to now is 761.2 secs Computing kpt #: 184 total cpu time spent up to now is 764.9 secs Computing kpt #: 185 total cpu time spent up to now is 768.4 secs Computing kpt #: 186 total cpu time spent up to now is 772.2 secs Computing kpt #: 187 total cpu time spent up to now is 775.8 secs Computing kpt #: 188 total cpu time spent up to now is 779.5 secs Computing kpt #: 189 total cpu time spent up to now is 783.2 secs Computing kpt #: 190 total cpu time spent up to now is 787.0 secs Computing kpt #: 191 total cpu time spent up to now is 790.7 secs Computing kpt #: 192 total cpu time spent up to now is 794.6 secs Computing kpt #: 193 total cpu time spent up to now is 800.1 secs Computing kpt #: 194 total cpu time spent up to now is 804.1 secs Computing kpt #: 195 total cpu time spent up to now is 808.7 secs Computing kpt #: 196 total cpu time spent up to now is 812.9 secs Computing kpt #: 197 total cpu time spent up to now is 817.1 secs Computing kpt #: 198 total cpu time spent up to now is 821.2 secs Computing kpt #: 199 total cpu time spent up to now is 825.3 secs Computing kpt #: 200 total cpu time spent up to now is 829.3 secs Computing kpt #: 201 total cpu time spent up to now is 833.3 secs Computing kpt #: 202 total cpu time spent up to now is 837.1 secs Computing kpt #: 203 total cpu time spent up to now is 840.8 secs Computing kpt #: 204 total cpu time spent up to now is 844.6 secs Computing kpt #: 205 total cpu time spent up to now is 848.2 secs Computing kpt #: 206 total cpu time spent up to now is 851.9 secs Computing kpt #: 207 total cpu time spent up to now is 855.5 secs Computing kpt #: 208 total cpu time spent up to now is 859.4 secs Computing kpt #: 209 total cpu time spent up to now is 863.7 secs Computing kpt #: 210 total cpu time spent up to now is 867.3 secs Computing kpt #: 211 total cpu time spent up to now is 870.9 secs Computing kpt #: 212 total cpu time spent up to now is 876.0 secs Computing kpt #: 213 total cpu time spent up to now is 879.8 secs Computing kpt #: 214 total cpu time spent up to now is 883.6 secs Computing kpt #: 215 total cpu time spent up to now is 887.2 secs Computing kpt #: 216 total cpu time spent up to now is 890.8 secs Computing kpt #: 217 total cpu time spent up to now is 894.6 secs Computing kpt #: 218 total cpu time spent up to now is 898.2 secs Computing kpt #: 219 total cpu time spent up to now is 901.9 secs Computing kpt #: 220 total cpu time spent up to now is 905.5 secs Computing kpt #: 221 total cpu time spent up to now is 909.3 secs Computing kpt #: 222 total cpu time spent up to now is 913.0 secs Computing kpt #: 223 total cpu time spent up to now is 916.7 secs Computing kpt #: 224 total cpu time spent up to now is 920.5 secs Computing kpt #: 225 total cpu time spent up to now is 924.2 secs Computing kpt #: 226 total cpu time spent up to now is 928.1 secs Computing kpt #: 227 total cpu time spent up to now is 931.8 secs Computing kpt #: 228 total cpu time spent up to now is 936.0 secs Computing kpt #: 229 total cpu time spent up to now is 940.6 secs Computing kpt #: 230 total cpu time spent up to now is 944.7 secs Computing kpt #: 231 total cpu time spent up to now is 948.7 secs Computing kpt #: 232 total cpu time spent up to now is 952.7 secs Computing kpt #: 233 total cpu time spent up to now is 956.8 secs Computing kpt #: 234 total cpu time spent up to now is 960.8 secs Computing kpt #: 235 total cpu time spent up to now is 967.9 secs Computing kpt #: 236 total cpu time spent up to now is 972.0 secs Computing kpt #: 237 total cpu time spent up to now is 976.1 secs Computing kpt #: 238 total cpu time spent up to now is 980.0 secs Computing kpt #: 239 total cpu time spent up to now is 983.8 secs Computing kpt #: 240 total cpu time spent up to now is 987.5 secs Computing kpt #: 241 total cpu time spent up to now is 991.3 secs Computing kpt #: 242 total cpu time spent up to now is 994.9 secs Computing kpt #: 243 total cpu time spent up to now is 998.7 secs Computing kpt #: 244 total cpu time spent up to now is 1002.5 secs Computing kpt #: 245 total cpu time spent up to now is 1006.2 secs Computing kpt #: 246 total cpu time spent up to now is 1009.8 secs Computing kpt #: 247 total cpu time spent up to now is 1013.6 secs Computing kpt #: 248 total cpu time spent up to now is 1017.3 secs Computing kpt #: 249 total cpu time spent up to now is 1020.9 secs Computing kpt #: 250 total cpu time spent up to now is 1024.6 secs Computing kpt #: 251 total cpu time spent up to now is 1028.5 secs Computing kpt #: 252 total cpu time spent up to now is 1032.5 secs Computing kpt #: 253 total cpu time spent up to now is 1036.5 secs Computing kpt #: 254 total cpu time spent up to now is 1040.4 secs Computing kpt #: 255 total cpu time spent up to now is 1044.1 secs Computing kpt #: 256 total cpu time spent up to now is 1047.8 secs Computing kpt #: 257 total cpu time spent up to now is 1051.5 secs Computing kpt #: 258 total cpu time spent up to now is 1055.1 secs Computing kpt #: 259 total cpu time spent up to now is 1058.7 secs Computing kpt #: 260 total cpu time spent up to now is 1062.3 secs Computing kpt #: 261 total cpu time spent up to now is 1065.8 secs Computing kpt #: 262 total cpu time spent up to now is 1070.8 secs Computing kpt #: 263 total cpu time spent up to now is 1074.7 secs Computing kpt #: 264 total cpu time spent up to now is 1078.2 secs Computing kpt #: 265 total cpu time spent up to now is 1081.8 secs Computing kpt #: 266 total cpu time spent up to now is 1085.3 secs Computing kpt #: 267 total cpu time spent up to now is 1088.9 secs Computing kpt #: 268 total cpu time spent up to now is 1092.4 secs Computing kpt #: 269 total cpu time spent up to now is 1096.1 secs Computing kpt #: 270 total cpu time spent up to now is 1099.7 secs Computing kpt #: 271 total cpu time spent up to now is 1103.3 secs Computing kpt #: 272 total cpu time spent up to now is 1106.9 secs Computing kpt #: 273 total cpu time spent up to now is 1110.5 secs Computing kpt #: 274 total cpu time spent up to now is 1115.6 secs Computing kpt #: 275 total cpu time spent up to now is 1119.4 secs Computing kpt #: 276 total cpu time spent up to now is 1123.0 secs Computing kpt #: 277 total cpu time spent up to now is 1126.7 secs ethr = 2.38E-11, avg # of iterations = 40.2 total cpu time spent up to now is 1126.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5557 PWs) bands (ev): -8.1957 -8.1957 -6.9044 -6.9044 -6.8997 -6.8997 -6.8223 -6.8223 -2.0463 -2.0463 -2.0411 -2.0411 -0.8455 -0.8455 -0.4608 -0.4608 -0.3570 -0.3570 0.0106 0.0106 0.2200 0.2200 1.6432 1.6432 1.7798 1.7798 1.8549 1.8549 1.9277 1.9277 2.8597 2.8597 3.4141 3.4141 3.4220 3.4220 4.6394 4.6394 4.9943 4.9943 5.0963 5.0963 6.6961 6.6961 8.0928 8.0928 8.5300 8.5300 10.4016 10.4016 k = 0.0000 0.0000 0.0208 ( 5549 PWs) bands (ev): -8.1950 -8.1949 -6.9050 -6.9049 -6.9003 -6.9002 -6.8223 -6.8222 -2.0476 -2.0462 -2.0412 -2.0400 -0.8510 -0.8390 -0.4662 -0.4554 -0.3611 -0.3538 0.0016 0.0180 0.2187 0.2229 1.6302 1.6461 1.7557 1.8037 1.8427 1.8682 1.9151 1.9555 2.8563 2.8603 3.4125 3.4149 3.4200 3.4273 4.6359 4.6393 4.9902 4.9912 5.0889 5.0927 6.7052 6.7065 8.0953 8.0962 8.5323 8.5359 10.3960 10.4020 k = 0.0000 0.0000 0.0416 ( 5547 PWs) bands (ev): -8.1928 -8.1928 -6.9067 -6.9065 -6.9019 -6.9018 -6.8221 -6.8221 -2.0492 -2.0474 -2.0400 -2.0388 -0.8555 -0.8315 -0.4716 -0.4500 -0.3660 -0.3516 -0.0085 0.0235 0.2189 0.2271 1.6110 1.6387 1.7320 1.8187 1.8317 1.8858 1.9277 1.9896 2.8502 2.8582 3.4079 3.4118 3.4275 3.4354 4.6283 4.6357 4.9768 4.9795 5.0736 5.0801 6.7331 6.7359 8.1036 8.1052 8.5430 8.5500 10.3844 10.3956 k = 0.0000 0.0000 0.0624 ( 5555 PWs) bands (ev): -8.1891 -8.1891 -6.9096 -6.9093 -6.9044 -6.9042 -6.8220 -6.8219 -2.0508 -2.0493 -2.0383 -2.0376 -0.8588 -0.8233 -0.4769 -0.4447 -0.3716 -0.3502 -0.0194 0.0269 0.2205 0.2322 1.5900 1.6248 1.7091 1.7938 1.8549 1.9058 1.9595 2.0275 2.8413 2.8530 3.4000 3.4087 3.4402 3.4484 4.6154 4.6278 4.9496 4.9568 5.0572 5.0645 6.7776 6.7819 8.1172 8.1197 8.5623 8.5726 10.3651 10.3798 k = 0.0000 0.0000 0.0832 ( 5555 PWs) bands (ev): -8.1840 -8.1840 -6.9137 -6.9134 -6.9077 -6.9075 -6.8218 -6.8216 -2.0525 -2.0514 -2.0369 -2.0361 -0.8609 -0.8144 -0.4820 -0.4395 -0.3778 -0.3498 -0.0309 0.0282 0.2228 0.2375 1.5703 1.6087 1.6876 1.7653 1.8794 1.9278 2.0009 2.0685 2.8290 2.8444 3.3920 3.4046 3.4575 3.4663 4.5954 4.6143 4.9079 4.9225 5.0443 5.0510 6.8355 6.8417 8.1356 8.1390 8.5902 8.6036 10.3373 10.3547 k = 0.0000 0.0000 0.1040 ( 5547 PWs) bands (ev): -8.1775 -8.1775 -6.9191 -6.9187 -6.9117 -6.9114 -6.8218 -6.8215 -2.0545 -2.0534 -2.0362 -2.0341 -0.8618 -0.8048 -0.4869 -0.4346 -0.3842 -0.3501 -0.0427 0.0273 0.2251 0.2423 1.5535 1.5926 1.6686 1.7374 1.9024 1.9502 2.0475 2.1124 2.8131 2.8321 3.3858 3.4011 3.4789 3.4887 4.5657 4.5928 4.8572 4.8807 5.0344 5.0406 6.9037 6.9120 8.1581 8.1628 8.6268 8.6431 10.3027 10.3226 k = 0.0000 0.0000 0.1248 ( 5550 PWs) bands (ev): -8.1696 -8.1695 -6.9256 -6.9251 -6.9163 -6.9160 -6.8220 -6.8215 -2.0567 -2.0549 -2.0357 -2.0321 -0.8613 -0.7947 -0.4915 -0.4299 -0.3907 -0.3510 -0.0547 0.0244 0.2266 0.2456 1.5404 1.5772 1.6540 1.7116 1.9229 1.9715 2.0973 2.1591 2.7934 2.8161 3.3826 3.3997 3.5040 3.5148 4.5235 4.5601 4.8051 4.8379 5.0258 5.0321 6.9792 6.9897 8.1842 8.1905 8.6720 8.6911 10.2638 10.2855 k = 0.0000 0.0000 0.1456 ( 5546 PWs) bands (ev): -8.1602 -8.1601 -6.9331 -6.9325 -6.9215 -6.9213 -6.8223 -6.8218 -2.0592 -2.0563 -2.0355 -2.0300 -0.8595 -0.7841 -0.4957 -0.4259 -0.3968 -0.3525 -0.0669 0.0197 0.2268 0.2467 1.5301 1.5623 1.6460 1.6900 1.9406 1.9905 2.1493 2.2081 2.7702 2.7969 3.3839 3.4020 3.5320 3.5440 4.4675 4.5131 4.7583 4.7987 5.0174 5.0242 7.0592 7.0721 8.2133 8.2216 8.7255 8.7474 10.2223 10.2451 k = 0.0000 0.0000 0.1663 ( 5554 PWs) bands (ev): -8.1495 -8.1494 -6.9415 -6.9407 -6.9275 -6.9273 -6.8230 -6.8223 -2.0616 -2.0576 -2.0354 -2.0280 -0.8564 -0.7732 -0.4995 -0.4233 -0.4015 -0.3545 -0.0792 0.0133 0.2248 0.2449 1.5194 1.5483 1.6462 1.6761 1.9546 2.0057 2.2028 2.2592 2.7444 2.7751 3.3903 3.4089 3.5619 3.5758 4.3989 4.4519 4.7195 4.7644 5.0087 5.0163 7.1414 7.1568 8.2454 8.2557 8.7865 8.8111 10.1795 10.2031 k = 0.0000 0.0000 0.1871 ( 5544 PWs) bands (ev): -8.1374 -8.1372 -6.9507 -6.9498 -6.9340 -6.9338 -6.8241 -6.8231 -2.0640 -2.0588 -2.0355 -2.0260 -0.8518 -0.7620 -0.5027 -0.4238 -0.4032 -0.3568 -0.0917 0.0052 0.2205 0.2396 1.5049 1.5352 1.6543 1.6748 1.9642 2.0162 2.2574 2.3117 2.7176 2.7523 3.4021 3.4210 3.5924 3.6096 4.3206 4.3804 4.6871 4.7341 4.9994 5.0080 7.2240 7.2418 8.2801 8.2924 8.8540 8.8815 10.1365 10.1606 k = 0.0000 0.0000 0.2079 ( 5540 PWs) bands (ev): -8.1240 -8.1238 -6.9607 -6.9596 -6.9411 -6.9409 -6.8255 -6.8243 -2.0663 -2.0599 -2.0358 -2.0240 -0.8459 -0.7507 -0.5053 -0.4275 -0.4016 -0.3593 -0.1043 -0.0045 0.2134 0.2307 1.4866 1.5206 1.6706 1.6892 1.9687 2.0209 2.3128 2.3652 2.6917 2.7303 3.4191 3.4384 3.6220 3.6445 4.2362 4.3039 4.6583 4.7061 4.9895 4.9990 7.3054 7.3255 8.3173 8.3316 8.9265 8.9570 10.0941 10.1189 k = 0.0000 0.0000 0.2287 ( 5544 PWs) bands (ev): -8.1093 -8.1090 -6.9713 -6.9701 -6.9488 -6.9486 -6.8273 -6.8260 -2.0685 -2.0611 -2.0361 -2.0221 -0.8386 -0.7393 -0.5072 -0.4329 -0.3982 -0.3621 -0.1171 -0.0158 0.2036 0.2182 1.4664 1.5029 1.6973 1.7165 1.9671 2.0188 2.3688 2.4190 2.6688 2.7116 3.4407 3.4605 3.6484 3.6794 4.1492 4.2277 4.6309 4.6789 4.9789 4.9895 7.3843 7.4065 8.3571 8.3729 9.0023 9.0360 10.0531 10.0790 k = 0.0000 0.0000 0.2495 ( 5548 PWs) bands (ev): -8.0933 -8.0930 -6.9825 -6.9811 -6.9569 -6.9567 -6.8296 -6.8280 -2.0706 -2.0622 -2.0365 -2.0203 -0.8300 -0.7280 -0.5085 -0.4389 -0.3943 -0.3649 -0.1300 -0.0286 0.1910 0.2023 1.4455 1.4830 1.7346 1.7539 1.9591 2.0094 2.4248 2.4718 2.6511 2.6986 3.4659 3.4869 3.6686 3.7123 4.0636 4.1571 4.6037 4.6516 4.9678 4.9793 7.4599 7.4839 8.3991 8.4159 9.0789 9.1161 10.0145 10.0421 k = 0.0000 0.0000 0.2703 ( 5552 PWs) bands (ev): -8.0762 -8.0757 -6.9942 -6.9926 -6.9655 -6.9653 -6.8324 -6.8306 -2.0725 -2.0634 -2.0368 -2.0186 -0.8200 -0.7168 -0.5089 -0.4449 -0.3903 -0.3678 -0.1429 -0.0428 0.1758 0.1835 1.4243 1.4619 1.7808 1.7994 1.9455 1.9925 2.4799 2.5215 2.6404 2.6945 3.4933 3.5164 3.6785 3.7385 3.9854 4.0982 4.5763 4.6237 4.9562 4.9685 7.5315 7.5570 8.4430 8.4603 9.1533 9.1942 9.9795 10.0097 k = 0.0000 0.0000 0.2911 ( 5562 PWs) bands (ev): -8.0578 -8.0573 -7.0064 -7.0046 -6.9745 -6.9742 -6.8357 -6.8337 -2.0742 -2.0646 -2.0372 -2.0170 -0.8088 -0.7058 -0.5087 -0.4508 -0.3868 -0.3703 -0.1558 -0.0585 0.1583 0.1623 1.4029 1.4402 1.8326 1.8503 1.9305 1.9691 2.5315 2.5643 2.6395 2.7035 3.5197 3.5473 3.6752 3.7458 3.9288 4.0569 4.5487 4.5952 4.9442 4.9572 7.5989 7.6253 8.4882 8.5056 9.2219 9.2664 9.9498 9.9839 k = 0.0000 0.0000 0.3119 ( 5556 PWs) bands (ev): -8.0383 -8.0377 -7.0189 -7.0170 -6.9838 -6.9834 -6.8396 -6.8373 -2.0756 -2.0659 -2.0374 -2.0155 -0.7964 -0.6952 -0.5077 -0.4566 -0.3846 -0.3718 -0.1686 -0.0756 0.1377 0.1404 1.3811 1.4179 1.8668 1.8995 1.9377 1.9468 2.5713 2.5961 2.6554 2.7297 3.5371 3.5754 3.6641 3.7203 3.9119 4.0355 4.5216 4.5665 4.9320 4.9455 7.6619 7.6885 8.5340 8.5510 9.2804 9.3276 9.9274 9.9671 k = 0.0000 0.0000 0.3327 ( 5552 PWs) bands (ev): -8.0177 -8.0170 -7.0317 -7.0296 -6.9933 -6.9929 -6.8440 -6.8416 -2.0769 -2.0672 -2.0375 -2.0142 -0.7829 -0.6850 -0.5061 -0.4621 -0.3851 -0.3709 -0.1812 -0.0937 0.1134 0.1193 1.3584 1.3949 1.8526 1.8996 1.9727 2.0002 2.5921 2.6166 2.6946 2.7709 3.5291 3.5843 3.6653 3.6882 3.9247 4.0297 4.4963 4.5383 4.9196 4.9335 7.7206 7.7466 8.5796 8.5958 9.3240 9.3726 9.9149 9.9621 k = 0.0000 0.0000 0.3535 ( 5540 PWs) bands (ev): -7.9960 -7.9953 -7.0448 -7.0426 -7.0031 -7.0026 -6.8490 -6.8464 -2.0780 -2.0686 -2.0375 -2.0130 -0.7683 -0.6753 -0.5039 -0.4675 -0.3880 -0.3681 -0.1935 -0.1128 0.0878 0.0977 1.3338 1.3708 1.8271 1.8659 2.0420 2.0727 2.6014 2.6303 2.7476 2.8207 3.4934 3.5496 3.6878 3.6947 3.9470 4.0319 4.4744 4.5118 4.9071 4.9212 7.7748 7.7994 8.6240 8.6392 9.3490 9.3972 9.9139 9.9698 k = 0.0000 0.0000 0.3743 ( 5534 PWs) bands (ev): -7.9734 -7.9725 -7.0580 -7.0556 -7.0130 -7.0124 -6.8546 -6.8518 -2.0788 -2.0700 -2.0374 -2.0120 -0.7527 -0.6662 -0.5014 -0.4726 -0.3921 -0.3646 -0.2053 -0.1327 0.0616 0.0756 1.3063 1.3450 1.8016 1.8313 2.1169 2.1513 2.6053 2.6404 2.8052 2.8737 3.4464 3.4977 3.7201 3.7246 3.9692 4.0348 4.4579 4.4886 4.8947 4.9087 7.8246 7.8467 8.6661 8.6804 9.3546 9.4011 9.9230 9.9878 k = 0.0000 0.0000 0.3951 ( 5534 PWs) bands (ev): -7.9499 -7.9489 -7.0713 -7.0689 -7.0230 -7.0223 -6.8609 -6.8579 -2.0794 -2.0715 -2.0372 -2.0112 -0.7364 -0.6577 -0.4986 -0.4775 -0.3969 -0.3610 -0.2166 -0.1529 0.0354 0.0536 1.2750 1.3172 1.7792 1.7995 2.1949 2.2332 2.6046 2.6470 2.8640 2.9268 3.4006 3.4512 3.7545 3.7606 3.9873 4.0337 4.4488 4.4707 4.8824 4.8962 7.8699 7.8883 8.7049 8.7185 9.3429 9.3875 9.9382 10.0106 k = 0.0000 0.0000 0.4159 ( 5542 PWs) bands (ev): -7.9255 -7.9244 -7.0846 -7.0821 -7.0330 -7.0323 -6.8678 -6.8647 -2.0797 -2.0729 -2.0369 -2.0106 -0.7193 -0.6499 -0.4960 -0.4819 -0.4021 -0.3575 -0.2274 -0.1732 0.0096 0.0320 1.2393 1.2864 1.7606 1.7736 2.2743 2.3159 2.5989 2.6488 2.9223 2.9778 3.3638 3.4175 3.7878 3.7980 3.9987 4.0263 4.4472 4.4609 4.8704 4.8838 7.9101 7.9236 8.7393 8.7524 9.3182 9.3616 9.9535 10.0313 k = 0.0000 0.0000 0.4367 ( 5542 PWs) bands (ev): -7.9003 -7.8991 -7.0980 -7.0954 -7.0430 -7.0422 -6.8753 -6.8721 -2.0799 -2.0743 -2.0366 -2.0102 -0.7018 -0.6428 -0.4946 -0.4853 -0.4076 -0.3543 -0.2376 -0.1932 -0.0154 0.0114 1.1991 1.2522 1.7437 1.7583 2.3524 2.3948 2.5903 2.6445 2.9787 3.0251 3.3423 3.4002 3.8175 3.8350 3.9995 4.0163 4.4495 4.4640 4.8588 4.8715 7.9445 7.9519 8.7681 8.7812 9.2854 9.3286 9.9636 10.0449 k = 0.0000 0.0000 0.4574 ( 5536 PWs) bands (ev): -7.8745 -7.8730 -7.1113 -7.1086 -7.0529 -7.0520 -6.8835 -6.8802 -2.0798 -2.0756 -2.0363 -2.0100 -0.6839 -0.6364 -0.4962 -0.4863 -0.4134 -0.3515 -0.2472 -0.2125 -0.0392 -0.0076 1.1551 1.2143 1.7301 1.7533 2.4229 2.4570 2.5905 2.6360 3.0321 3.0688 3.3398 3.4007 3.8410 3.8699 3.9847 4.0130 4.4556 4.4786 4.8478 4.8595 7.9698 7.9739 8.7903 8.8037 9.2488 9.2930 9.9650 10.0486 k = 0.0000 0.0000 0.4782 ( 5544 PWs) bands (ev): -7.8480 -7.8464 -7.1245 -7.1217 -7.0626 -7.0616 -6.8923 -6.8890 -2.0796 -2.0768 -2.0361 -2.0101 -0.6662 -0.6305 -0.5001 -0.4858 -0.4193 -0.3493 -0.2563 -0.2306 -0.0613 -0.0246 1.1080 1.1726 1.7225 1.7557 2.4572 2.4900 2.6205 2.6399 3.0819 3.1110 3.3565 3.4176 3.8549 3.8997 3.9667 4.0137 4.4675 4.4997 4.8376 4.8480 7.9805 7.9922 8.8046 8.8196 9.2126 9.2584 9.9571 10.0417 k = 0.0000 0.0000 0.4990 ( 5536 PWs) bands (ev): -7.8209 -7.8192 -7.1375 -7.1347 -7.0722 -7.0711 -6.9018 -6.8984 -2.0791 -2.0777 -2.0359 -2.0105 -0.6490 -0.6249 -0.5049 -0.4857 -0.4250 -0.3479 -0.2650 -0.2470 -0.0813 -0.0392 1.0586 1.1276 1.7216 1.7643 2.4361 2.4976 2.6538 2.6958 3.1298 3.1554 3.3893 3.4473 3.8568 3.9138 3.9631 4.0190 4.4844 4.5244 4.8282 4.8371 7.9789 8.0005 8.8105 8.8291 9.1800 9.2276 9.9416 10.0254 k = 0.0000 0.0000 0.5198 ( 5532 PWs) bands (ev): -7.7934 -7.7915 -7.1504 -7.1476 -7.0815 -7.0804 -6.9118 -6.9084 -2.0789 -2.0781 -2.0358 -2.0111 -0.6338 -0.6185 -0.5102 -0.4869 -0.4307 -0.3476 -0.2733 -0.2608 -0.0988 -0.0509 1.0078 1.0801 1.7269 1.7783 2.3967 2.4716 2.7032 2.7610 3.1784 3.2044 3.4337 3.4845 3.8486 3.9087 3.9816 4.0294 4.5046 4.5511 4.8200 4.8271 7.9642 7.9960 8.8089 8.8331 9.1529 9.2019 9.9214 10.0027 k = 0.0000 0.0000 0.5406 ( 5536 PWs) bands (ev): -7.7656 -7.7635 -7.1632 -7.1602 -7.0906 -7.0893 -6.9223 -6.9189 -2.0794 -2.0775 -2.0358 -2.0121 -0.6239 -0.6084 -0.5158 -0.4896 -0.4361 -0.3488 -0.2819 -0.2708 -0.1132 -0.0596 0.9565 1.0308 1.7377 1.7972 2.3507 2.4313 2.7530 2.8190 3.2295 3.2595 3.4854 3.5246 3.8365 3.9040 4.0051 4.0428 4.5265 4.5784 4.8130 4.8180 7.9357 7.9764 8.8022 8.8323 9.1319 9.1815 9.8995 9.9768 k = 0.0000 0.0000 0.5614 ( 5538 PWs) bands (ev): -7.7375 -7.7352 -7.1757 -7.1727 -7.0994 -7.0980 -6.9333 -6.9300 -2.0797 -2.0765 -2.0360 -2.0133 -0.6189 -0.5954 -0.5217 -0.4940 -0.4413 -0.3518 -0.2908 -0.2763 -0.1241 -0.0651 0.9051 0.9804 1.7531 1.8204 2.3021 2.3864 2.7945 2.8648 3.2828 3.3199 3.5403 3.5661 3.8281 3.9081 4.0275 4.0573 4.5489 4.6055 4.8072 4.8103 7.8932 7.9407 8.7933 8.8273 9.1165 9.1659 9.8787 9.9508 k = 0.0000 0.0000 0.5822 ( 5542 PWs) bands (ev): -7.7092 -7.7067 -7.1881 -7.1849 -7.1078 -7.1063 -6.9447 -6.9414 -2.0798 -2.0754 -2.0364 -2.0148 -0.6157 -0.5832 -0.5275 -0.4998 -0.4463 -0.3567 -0.2988 -0.2785 -0.1313 -0.0675 0.8543 0.9295 1.7722 1.8474 2.2530 2.3410 2.8243 2.8960 3.3360 3.3811 3.5922 3.6147 3.8287 3.9232 4.0479 4.0719 4.5706 4.6316 4.8014 4.8052 7.8380 7.8893 8.7835 8.8179 9.1064 9.1552 9.8611 9.9270 k = 0.0000 0.0000 0.6030 ( 5546 PWs) bands (ev): -7.6809 -7.6783 -7.2004 -7.1970 -7.1158 -7.1142 -6.9563 -6.9531 -2.0797 -2.0741 -2.0369 -2.0165 -0.6132 -0.5737 -0.5328 -0.5068 -0.4508 -0.3631 -0.3048 -0.2785 -0.1344 -0.0669 0.8046 0.8788 1.7940 1.8775 2.2052 2.2978 2.8416 2.9118 3.3862 3.4358 3.6424 3.6735 3.8410 3.9477 4.0669 4.0873 4.5908 4.6562 4.7955 4.8029 7.7718 7.8241 8.7722 8.8032 9.1016 9.1500 9.8477 9.9066 k = 0.0000 0.0000 0.6238 ( 5542 PWs) bands (ev): -7.6527 -7.6499 -7.2126 -7.2091 -7.1234 -7.1217 -6.9680 -6.9650 -2.0793 -2.0727 -2.0377 -2.0186 -0.6112 -0.5682 -0.5368 -0.5149 -0.4546 -0.3707 -0.3084 -0.2771 -0.1334 -0.0635 0.7563 0.8286 1.8170 1.9102 2.1599 2.2592 2.8463 2.9130 3.4310 3.4783 3.7024 3.7357 3.8648 3.9774 4.0863 4.1053 4.6088 4.6788 4.7902 4.8026 7.6972 7.7482 8.7571 8.7827 9.1031 9.1517 9.8386 9.8903 k = 0.0000 0.0000 0.6446 ( 5542 PWs) bands (ev): -7.6248 -7.6218 -7.2247 -7.2210 -7.1305 -7.1288 -6.9796 -6.9768 -2.0786 -2.0712 -2.0386 -2.0208 -0.6096 -0.5675 -0.5388 -0.5235 -0.4574 -0.3792 -0.3096 -0.2753 -0.1284 -0.0576 0.7100 0.7795 1.8397 1.9442 2.1184 2.2272 2.8390 2.9010 3.4702 3.5098 3.7705 3.7976 3.8965 4.0084 4.1077 4.1300 4.6244 4.6989 4.7855 4.8040 7.6170 7.6649 8.7365 8.7564 9.1115 9.1603 9.8335 9.8778 k = 0.0000 0.0000 0.6654 ( 5548 PWs) bands (ev): -7.5973 -7.5941 -7.2369 -7.2331 -7.1370 -7.1353 -6.9909 -6.9883 -2.0776 -2.0696 -2.0396 -2.0233 -0.6081 -0.5707 -0.5396 -0.5324 -0.4590 -0.3880 -0.3088 -0.2735 -0.1195 -0.0497 0.6659 0.7319 1.8600 1.9767 2.0840 2.2044 2.8212 2.8781 3.5053 3.5359 3.8254 3.8686 3.9271 4.0446 4.1317 4.1641 4.6372 4.7164 4.7812 4.8067 7.5339 7.5777 8.7101 8.7256 9.1268 9.1752 9.8313 9.8686 k = 0.0000 0.0000 0.6862 ( 5540 PWs) bands (ev): -7.5704 -7.5671 -7.2492 -7.2452 -7.1430 -7.1413 -7.0017 -6.9994 -2.0763 -2.0680 -2.0409 -2.0260 -0.6068 -0.5755 -0.5414 -0.5405 -0.4594 -0.3967 -0.3063 -0.2721 -0.1072 -0.0403 0.6247 0.6862 1.8755 1.9954 2.0687 2.1929 2.7944 2.8466 3.5376 3.5609 3.8570 3.9438 3.9506 4.0941 4.1598 4.2049 4.6477 4.7306 4.7772 4.8101 7.4510 7.4898 8.6795 8.6918 9.1481 9.1945 9.8309 9.8618 k = 0.0000 0.0000 0.7070 ( 5544 PWs) bands (ev): -7.5443 -7.5409 -7.2616 -7.2576 -7.1484 -7.1468 -7.0118 -7.0097 -2.0748 -2.0664 -2.0422 -2.0287 -0.6057 -0.5808 -0.5492 -0.5428 -0.4587 -0.4050 -0.3028 -0.2713 -0.0922 -0.0301 0.5869 0.6431 1.8847 1.9840 2.0888 2.1942 2.7609 2.8089 3.5679 3.5869 3.8729 3.9463 4.0323 4.1535 4.1930 4.2479 4.6564 4.7411 4.7736 4.8135 7.3711 7.4046 8.6471 8.6573 9.1734 9.2162 9.8314 9.8564 k = 0.0000 0.0000 0.7278 ( 5552 PWs) bands (ev): -7.5194 -7.5160 -7.2742 -7.2702 -7.1531 -7.1516 -7.0208 -7.0191 -2.0731 -2.0648 -2.0435 -2.0316 -0.6049 -0.5858 -0.5560 -0.5459 -0.4573 -0.4128 -0.2988 -0.2711 -0.0754 -0.0197 0.5533 0.6031 1.8877 1.9611 2.1251 2.2074 2.7231 2.7673 3.5967 3.6141 3.8777 3.9385 4.1101 4.2097 4.2333 4.2894 4.6644 4.7470 4.7714 4.8159 7.2970 7.3251 8.6154 8.6239 9.2006 9.2385 9.8319 9.8517 k = 0.0000 0.0000 0.7485 ( 5560 PWs) bands (ev): -7.4961 -7.4927 -7.2868 -7.2829 -7.1571 -7.1557 -7.0285 -7.0271 -2.0712 -2.0634 -2.0447 -2.0344 -0.6043 -0.5902 -0.5614 -0.5496 -0.4551 -0.4199 -0.2945 -0.2716 -0.0577 -0.0102 0.5247 0.5670 1.8867 1.9388 2.1652 2.2293 2.6836 2.7239 3.6241 3.6413 3.8750 3.9250 4.1805 4.2516 4.2820 4.3265 4.6728 4.7471 4.7718 4.8163 7.2317 7.2542 8.5867 8.5937 9.2277 9.2594 9.8320 9.8472 k = 0.0000 0.0000 0.7693 ( 5556 PWs) bands (ev): -7.4751 -7.4720 -7.2989 -7.2953 -7.1602 -7.1591 -7.0348 -7.0337 -2.0692 -2.0624 -2.0455 -2.0371 -0.6040 -0.5941 -0.5647 -0.5535 -0.4525 -0.4264 -0.2903 -0.2727 -0.0403 -0.0027 0.5023 0.5358 1.8840 1.9196 2.2053 2.2551 2.6457 2.6811 3.6497 3.6665 3.8683 3.9083 4.2403 4.2850 4.3259 4.3567 4.6829 4.7428 4.7744 4.8141 7.1778 7.1948 8.5628 8.5681 9.2524 9.2771 9.8317 9.8427 k = 0.0000 0.0000 0.7901 ( 5564 PWs) bands (ev): -7.4575 -7.4549 -7.3096 -7.3067 -7.1624 -7.1616 -7.0393 -7.0386 -2.0672 -2.0621 -2.0458 -2.0397 -0.6036 -0.5973 -0.5661 -0.5574 -0.4494 -0.4321 -0.2863 -0.2744 -0.0245 0.0017 0.4871 0.5104 1.8821 1.9043 2.2427 2.2788 2.6139 2.6418 3.6726 3.6871 3.8612 3.8904 4.2867 4.3117 4.3584 4.3779 4.6947 4.7361 4.7784 4.8089 7.1380 7.1494 8.5450 8.5487 9.2731 9.2900 9.8313 9.8384 k = 0.0000 0.0000 0.8109 ( 5566 PWs) bands (ev): -7.4449 -7.4434 -7.3171 -7.3154 -7.1636 -7.1633 -7.0420 -7.0417 -2.0653 -2.0625 -2.0452 -2.0420 -0.6030 -0.5998 -0.5657 -0.5610 -0.4458 -0.4373 -0.2826 -0.2766 -0.0116 0.0019 0.4800 0.4921 1.8824 1.8930 2.2734 2.2932 2.5943 2.6105 3.6907 3.6995 3.8580 3.8740 4.3174 4.3285 4.3788 4.3887 4.7071 4.7280 4.7843 4.8011 7.1144 7.1201 8.5344 8.5362 9.2880 9.2966 9.8314 9.8349 k = 0.0000 0.0000 0.8317 ( 5568 PWs) bands (ev): -7.4398 -7.4398 -7.3193 -7.3193 -7.1639 -7.1639 -7.0428 -7.0428 -2.0637 -2.0637 -2.0439 -2.0439 -0.6017 -0.6017 -0.5638 -0.5638 -0.4418 -0.4418 -0.2794 -0.2794 -0.0025 -0.0025 0.4817 0.4817 1.8858 1.8858 2.2918 2.2918 2.5929 2.5929 3.7007 3.7007 3.8622 3.8622 4.3312 4.3312 4.3888 4.3888 4.7184 4.7184 4.7923 4.7923 7.1082 7.1082 8.5314 8.5314 9.2960 9.2960 9.8325 9.8325 k = 0.0000 0.0000 0.8317 ( 5568 PWs) bands (ev): -7.4398 -7.4398 -7.3193 -7.3193 -7.1639 -7.1639 -7.0428 -7.0428 -2.0637 -2.0637 -2.0439 -2.0439 -0.6017 -0.6017 -0.5638 -0.5638 -0.4418 -0.4418 -0.2794 -0.2794 -0.0025 -0.0025 0.4817 0.4817 1.8858 1.8858 2.2918 2.2918 2.5929 2.5929 3.7007 3.7007 3.8622 3.8622 4.3312 4.3312 4.3888 4.3888 4.7184 4.7184 4.7923 4.7923 7.1082 7.1082 8.5314 8.5314 9.2960 9.2960 9.8325 9.8325 k =-0.0118 0.0157 0.8317 ( 5568 PWs) bands (ev): -7.4398 -7.4394 -7.3200 -7.3196 -7.1638 -7.1637 -7.0430 -7.0427 -2.0654 -2.0622 -2.0485 -2.0401 -0.6146 -0.6010 -0.5638 -0.5532 -0.4539 -0.4260 -0.2818 -0.2744 -0.0037 0.0009 0.4778 0.4859 1.8853 1.8868 2.2902 2.2936 2.5919 2.5946 3.6951 3.7028 3.8558 3.8627 4.3257 4.3353 4.3845 4.3918 4.7045 4.7202 4.7901 4.8003 7.1105 7.1128 8.5327 8.5341 9.2971 9.3031 9.8337 9.8361 k =-0.0236 0.0313 0.8317 ( 5562 PWs) bands (ev): -7.4395 -7.4387 -7.3215 -7.3207 -7.1634 -7.1632 -7.0433 -7.0428 -2.0673 -2.0611 -2.0535 -2.0370 -0.6328 -0.6093 -0.5557 -0.5393 -0.4611 -0.4080 -0.2818 -0.2664 -0.0027 0.0065 0.4741 0.4902 1.8852 1.8884 2.2888 2.2956 2.5916 2.5969 3.6862 3.7014 3.8438 3.8575 4.3188 4.3379 4.3790 4.3935 4.6830 4.7098 4.7940 4.8100 7.1195 7.1239 8.5381 8.5409 9.3061 9.3182 9.8394 9.8444 k =-0.0354 0.0470 0.8317 ( 5570 PWs) bands (ev): -7.4389 -7.4377 -7.3239 -7.3227 -7.1626 -7.1623 -7.0437 -7.0429 -2.0695 -2.0617 -2.0575 -2.0347 -0.6530 -0.6190 -0.5486 -0.5252 -0.4622 -0.3897 -0.2787 -0.2543 0.0006 0.0144 0.4704 0.4948 1.8857 1.8903 2.2876 2.2977 2.5920 2.5999 3.6741 3.6966 3.8264 3.8465 4.3106 4.3390 4.3725 4.3937 4.6571 4.6919 4.7995 4.8183 7.1351 7.1414 8.5474 8.5517 9.3222 9.3406 9.8493 9.8569 k =-0.0472 0.0627 0.8317 ( 5586 PWs) bands (ev): -7.4379 -7.4364 -7.3272 -7.3256 -7.1613 -7.1611 -7.0443 -7.0432 -2.0720 -2.0667 -2.0578 -2.0332 -0.6736 -0.6280 -0.5456 -0.5119 -0.4571 -0.3734 -0.2717 -0.2369 0.0061 0.0247 0.4668 0.4996 1.8867 1.8928 2.2866 2.3000 2.5930 2.6035 3.6588 3.6885 3.8038 3.8299 4.3011 4.3385 4.3650 4.3924 4.6287 4.6702 4.8035 4.8239 7.1569 7.1648 8.5604 8.5665 9.3441 9.3692 9.8626 9.8729 k =-0.0590 0.0784 0.8317 ( 5590 PWs) bands (ev): -7.4368 -7.4349 -7.3313 -7.3295 -7.1597 -7.1594 -7.0448 -7.0435 -2.0759 -2.0718 -2.0573 -2.0324 -0.6938 -0.6359 -0.5461 -0.4999 -0.4476 -0.3610 -0.2596 -0.2135 0.0138 0.0375 0.4633 0.5046 1.8883 1.8958 2.2858 2.3024 2.5946 2.6077 3.6406 3.6770 3.7765 3.8081 4.2904 4.3361 4.3570 4.3898 4.5991 4.6465 4.8048 4.8261 7.1845 7.1936 8.5769 8.5850 9.3699 9.4021 9.8780 9.8914 k =-0.0707 0.0940 0.8317 ( 5588 PWs) bands (ev): -7.4354 -7.4333 -7.3363 -7.3342 -7.1575 -7.1572 -7.0455 -7.0440 -2.0821 -2.0752 -2.0570 -2.0322 -0.7133 -0.6430 -0.5483 -0.4894 -0.4366 -0.3528 -0.2416 -0.1843 0.0239 0.0531 0.4596 0.5098 1.8904 1.8992 2.2853 2.3051 2.5968 2.6125 3.6196 3.6619 3.7455 3.7813 4.2787 4.3313 4.3490 4.3857 4.5691 4.6219 4.8032 4.8248 7.2172 7.2273 8.5965 8.6069 9.3973 9.4370 9.8939 9.9108 k =-0.0825 0.1097 0.8317 ( 5582 PWs) bands (ev): -7.4340 -7.4315 -7.3421 -7.3397 -7.1548 -7.1545 -7.0462 -7.0444 -2.0892 -2.0779 -2.0569 -2.0325 -0.7317 -0.6494 -0.5509 -0.4805 -0.4260 -0.3482 -0.2176 -0.1506 0.0362 0.0716 0.4557 0.5152 1.8932 1.9032 2.2850 2.3079 2.5995 2.6176 3.5959 3.6428 3.7121 3.7504 4.2660 4.3235 4.3418 4.3803 4.5396 4.5971 4.7986 4.8200 7.2545 7.2651 8.6188 8.6319 9.4234 9.4707 9.9076 9.9289 k =-0.0943 0.1254 0.8317 ( 5576 PWs) bands (ev): -7.4326 -7.4299 -7.3486 -7.3461 -7.1515 -7.1513 -7.0468 -7.0448 -2.0966 -2.0806 -2.0573 -2.0333 -0.7489 -0.6554 -0.5532 -0.4733 -0.4170 -0.3459 -0.1879 -0.1139 0.0509 0.0933 0.4517 0.5206 1.8966 1.9078 2.2851 2.3110 2.6026 2.6232 3.5695 3.6182 3.6788 3.7161 4.2523 4.3128 4.3351 4.3736 4.5111 4.5724 4.7912 4.8119 7.2956 7.3064 8.6433 8.6593 9.4453 9.4996 9.9152 9.9425 k =-0.1061 0.1411 0.8317 ( 5576 PWs) bands (ev): -7.4313 -7.4285 -7.3556 -7.3531 -7.1476 -7.1475 -7.0473 -7.0451 -2.1039 -2.0834 -2.0580 -2.0342 -0.7648 -0.6612 -0.5548 -0.4676 -0.4096 -0.3451 -0.1535 -0.0758 0.0681 0.1186 0.4474 0.5261 1.9007 1.9130 2.2854 2.3144 2.6060 2.6291 3.5402 3.5866 3.6483 3.6798 4.2378 4.3000 4.3284 4.3657 4.4841 4.5483 4.7812 4.8008 7.3397 7.3505 8.6693 8.6887 9.4604 9.5198 9.9124 9.9479 k =-0.1179 0.1567 0.8317 ( 5570 PWs) bands (ev): -7.4304 -7.4275 -7.3630 -7.3605 -7.1432 -7.1431 -7.0477 -7.0453 -2.1111 -2.0862 -2.0593 -2.0353 -0.7794 -0.6669 -0.5554 -0.4638 -0.4034 -0.3452 -0.1154 -0.0376 0.0878 0.1477 0.4430 0.5317 1.9055 1.9189 2.2861 2.3180 2.6098 2.6352 3.5074 3.5485 3.6217 3.6427 4.2225 4.2854 4.3212 4.3568 4.4589 4.5251 4.7690 4.7871 7.3862 7.3968 8.6962 8.7192 9.4671 9.5289 9.8955 9.9416 k =-0.1297 0.1724 0.8317 ( 5570 PWs) bands (ev): -7.4302 -7.4273 -7.3705 -7.3682 -7.1382 -7.1380 -7.0479 -7.0453 -2.1180 -2.0891 -2.0610 -2.0363 -0.7927 -0.6728 -0.5553 -0.4618 -0.3982 -0.3459 -0.0750 -0.0002 0.1104 0.1805 0.4386 0.5372 1.9112 1.9257 2.2871 2.3220 2.6137 2.6415 3.4706 3.5063 3.5978 3.6065 4.2066 4.2695 4.3132 4.3470 4.4356 4.5028 4.7546 4.7713 7.4342 7.4444 8.7229 8.7500 9.4644 9.5259 9.8636 9.9218 k =-0.1415 0.1881 0.8317 ( 5562 PWs) bands (ev): -7.4309 -7.4284 -7.3777 -7.3758 -7.1327 -7.1324 -7.0477 -7.0449 -2.1245 -2.0921 -2.0633 -2.0372 -0.8047 -0.6788 -0.5544 -0.4616 -0.3934 -0.3469 -0.0338 0.0358 0.1363 0.2164 0.4346 0.5427 1.9179 1.9335 2.2885 2.3264 2.6177 2.6478 3.4295 3.4625 3.5718 3.5764 4.1900 4.2523 4.3044 4.3363 4.4143 4.4817 4.7384 4.7539 7.4830 7.4928 8.7485 8.7799 9.4529 9.5123 9.8183 9.8886 k =-0.1415 0.1881 0.8317 ( 5562 PWs) bands (ev): -7.4309 -7.4284 -7.3777 -7.3758 -7.1327 -7.1324 -7.0477 -7.0449 -2.1245 -2.0921 -2.0633 -2.0372 -0.8047 -0.6788 -0.5544 -0.4616 -0.3934 -0.3469 -0.0338 0.0358 0.1363 0.2164 0.4346 0.5427 1.9179 1.9335 2.2885 2.3264 2.6177 2.6478 3.4295 3.4625 3.5718 3.5764 4.1900 4.2523 4.3044 4.3363 4.4143 4.4817 4.7384 4.7539 7.4830 7.4928 8.7485 8.7799 9.4529 9.5123 9.8183 9.8886 k =-0.1504 0.2000 0.8168 ( 5566 PWs) bands (ev): -7.4267 -7.4240 -7.3927 -7.3904 -7.1184 -7.1177 -7.0535 -7.0508 -2.1289 -2.0936 -2.0650 -2.0391 -0.8127 -0.6852 -0.5519 -0.4619 -0.3920 -0.3521 -0.0025 0.0630 0.1799 0.2672 0.4134 0.5243 1.9254 1.9390 2.2838 2.3331 2.6249 2.6472 3.3857 3.4214 3.5709 3.5742 4.1741 4.2208 4.3034 4.3258 4.4138 4.4696 4.7172 4.7277 7.5192 7.5300 8.7730 8.8070 9.4315 9.4854 9.7679 9.8474 k =-0.1594 0.2119 0.8019 ( 5564 PWs) bands (ev): -7.4241 -7.4210 -7.4073 -7.4044 -7.1036 -7.1026 -7.0586 -7.0559 -2.1331 -2.0952 -2.0667 -2.0410 -0.8196 -0.6915 -0.5483 -0.4629 -0.3916 -0.3565 0.0294 0.0903 0.2259 0.3195 0.3937 0.5066 1.9338 1.9472 2.2727 2.3322 2.6377 2.6529 3.3440 3.3823 3.5693 3.5718 4.1399 4.1771 4.2920 4.3117 4.4267 4.4673 4.6967 4.7001 7.5616 7.5733 8.7987 8.8353 9.4041 9.4524 9.7118 9.7978 k =-0.1684 0.2238 0.7870 ( 5558 PWs) bands (ev): -7.4245 -7.4216 -7.4189 -7.4161 -7.0902 -7.0892 -7.0613 -7.0590 -2.1370 -2.0970 -2.0684 -2.0426 -0.8255 -0.6978 -0.5439 -0.4644 -0.3934 -0.3594 0.0620 0.1176 0.2725 0.3728 0.3768 0.4901 1.9430 1.9579 2.2571 2.3248 2.6534 2.6633 3.3057 3.3464 3.5666 3.5688 4.0919 4.1250 4.2755 4.2911 4.4437 4.4731 4.6725 4.6788 7.6094 7.6218 8.8242 8.8632 9.3723 9.4154 9.6521 9.7418 k =-0.1773 0.2357 0.7721 ( 5558 PWs) bands (ev): -7.4354 -7.4339 -7.4191 -7.4178 -7.0833 -7.0830 -7.0559 -7.0553 -2.1406 -2.0989 -2.0700 -2.0440 -0.8304 -0.7040 -0.5387 -0.4662 -0.3978 -0.3603 0.0951 0.1444 0.3136 0.3683 0.4257 0.4766 1.9529 1.9708 2.2385 2.3125 2.6692 2.6761 3.2722 3.3149 3.5623 3.5652 4.0356 4.0679 4.2534 4.2626 4.4603 4.4847 4.6466 4.6651 7.6615 7.6744 8.8478 8.8889 9.3377 9.3761 9.5913 9.6821 k =-0.1863 0.2476 0.7572 ( 5558 PWs) bands (ev): -7.4486 -7.4463 -7.4193 -7.4172 -7.0856 -7.0842 -7.0430 -7.0421 -2.1439 -2.1010 -2.0716 -2.0452 -0.8344 -0.7100 -0.5329 -0.4683 -0.4046 -0.3595 0.1281 0.1697 0.3285 0.3872 0.4568 0.4898 1.9636 1.9853 2.2184 2.2970 2.6832 2.6890 3.2446 3.2885 3.5560 3.5608 3.9750 4.0082 4.2241 4.2268 4.4753 4.4991 4.6238 4.6568 7.7168 7.7301 8.8671 8.9097 9.3022 9.3367 9.5318 9.6220 k =-0.1953 0.2596 0.7423 ( 5556 PWs) bands (ev): -7.4612 -7.4585 -7.4195 -7.4170 -7.0904 -7.0887 -7.0274 -7.0259 -2.1468 -2.1033 -2.0732 -2.0461 -0.8376 -0.7157 -0.5267 -0.4703 -0.4131 -0.3577 0.1592 0.1927 0.3275 0.4105 0.4691 0.5413 1.9748 2.0013 2.1977 2.2795 2.6942 2.6989 3.2243 3.2678 3.5471 3.5549 3.9131 3.9478 4.1831 4.1889 4.4883 4.5141 4.6052 4.6545 7.7742 7.7878 8.8792 8.9223 9.2683 9.2998 9.4764 9.5648 k =-0.2042 0.2715 0.7274 ( 5549 PWs) bands (ev): -7.4731 -7.4702 -7.4200 -7.4171 -7.0959 -7.0940 -7.0111 -7.0092 -2.1495 -2.1056 -2.0749 -2.0467 -0.8399 -0.7210 -0.5205 -0.4719 -0.4226 -0.3556 0.1820 0.2159 0.3316 0.4085 0.5093 0.5954 1.9864 2.0183 2.1773 2.2612 2.7011 2.7045 3.2121 3.2533 3.5347 3.5468 3.8521 3.8882 4.1352 4.1465 4.4986 4.5287 4.5916 4.6577 7.8325 7.8464 8.8808 8.9228 9.2381 9.2683 9.4280 9.5135 k =-0.2132 0.2834 0.7124 ( 5543 PWs) bands (ev): -7.4845 -7.4812 -7.4205 -7.4174 -7.1015 -7.0996 -6.9950 -6.9927 -2.1518 -2.1080 -2.0766 -2.0469 -0.8415 -0.7258 -0.5148 -0.4728 -0.4328 -0.3533 0.1896 0.2442 0.3452 0.3990 0.5593 0.6489 1.9981 2.0362 2.1579 2.2432 2.7006 2.7079 3.2077 3.2451 3.5171 3.5354 3.7946 3.8314 4.0839 4.0991 4.5058 4.5421 4.5834 4.6655 7.8906 7.9047 8.8693 8.9084 9.2128 9.2438 9.3894 9.4713 k =-0.2221 0.2953 0.6975 ( 5549 PWs) bands (ev): -7.4951 -7.4916 -7.4211 -7.4178 -7.1071 -7.1052 -6.9793 -6.9768 -2.1537 -2.1105 -2.0785 -2.0469 -0.8425 -0.7300 -0.5103 -0.4725 -0.4432 -0.3512 0.1860 0.2737 0.3664 0.3912 0.6108 0.7011 2.0095 2.0546 2.1403 2.2264 2.6931 2.7086 3.2099 3.2432 3.4923 3.5191 3.7427 3.7797 4.0312 4.0485 4.5100 4.5525 4.5822 4.6766 7.9475 7.9616 8.8445 8.8796 9.1906 9.2253 9.3636 9.4408 k =-0.2311 0.3072 0.6826 ( 5546 PWs) bands (ev): -7.5050 -7.5013 -7.4216 -7.4181 -7.1125 -7.1107 -6.9644 -6.9617 -2.1554 -2.1129 -2.0804 -2.0465 -0.8429 -0.7335 -0.5079 -0.4712 -0.4526 -0.3492 0.1768 0.2977 0.3840 0.3979 0.6619 0.7512 2.0199 2.0726 2.1256 2.2122 2.6803 2.7064 3.2160 3.2476 3.4590 3.4956 3.6985 3.7356 3.9790 3.9967 4.5119 4.5574 4.5894 4.6898 8.0022 8.0163 8.8091 8.8396 9.1692 9.2084 9.3526 9.4236 k =-0.2401 0.3191 0.6677 ( 5556 PWs) bands (ev): -7.5141 -7.5103 -7.4219 -7.4183 -7.1179 -7.1161 -6.9503 -6.9475 -2.1567 -2.1153 -2.0824 -2.0458 -0.8430 -0.7360 -0.5078 -0.4729 -0.4568 -0.3474 0.1652 0.3089 0.3966 0.4250 0.7114 0.7985 2.0286 2.0873 2.1170 2.2024 2.6638 2.7015 3.2228 3.2576 3.4179 3.4632 3.6629 3.7004 3.9294 3.9454 4.5121 4.5593 4.6020 4.7040 8.0538 8.0679 8.7670 8.7930 9.1474 9.1897 9.3555 9.4189 k =-0.2490 0.3310 0.6528 ( 5563 PWs) bands (ev): -7.5225 -7.5185 -7.4220 -7.4183 -7.1230 -7.1213 -6.9373 -6.9343 -2.1578 -2.1175 -2.0845 -2.0449 -0.8428 -0.7376 -0.5102 -0.4803 -0.4527 -0.3459 0.1525 0.3068 0.4202 0.4546 0.7583 0.8424 2.0348 2.0904 2.1228 2.1991 2.6450 2.6945 3.2282 3.2694 3.3735 3.4222 3.6353 3.6731 3.8840 3.8966 4.5113 4.5606 4.6164 4.7186 8.1014 8.1155 8.7223 8.7437 9.1261 9.1691 9.3690 9.4237 k =-0.2580 0.3430 0.6379 ( 5565 PWs) bands (ev): -7.5300 -7.5259 -7.4219 -7.4181 -7.1279 -7.1263 -6.9255 -6.9224 -2.1587 -2.1197 -2.0866 -2.0439 -0.8425 -0.7379 -0.5151 -0.4884 -0.4453 -0.3447 0.1395 0.2981 0.4492 0.4841 0.8016 0.8822 2.0380 2.0861 2.1381 2.2042 2.6251 2.6860 3.2283 3.2697 3.3392 3.3778 3.6140 3.6510 3.8444 3.8522 4.5099 4.5620 4.6315 4.7328 8.1445 8.1588 8.6779 8.6950 9.1061 9.1482 9.3892 9.4343 k =-0.2670 0.3549 0.6230 ( 5559 PWs) bands (ev): -7.5368 -7.5325 -7.4216 -7.4176 -7.1326 -7.1310 -6.9149 -6.9117 -2.1594 -2.1216 -2.0886 -2.0426 -0.8424 -0.7370 -0.5229 -0.4946 -0.4367 -0.3437 0.1266 0.2867 0.4793 0.5127 0.8407 0.9173 2.0394 2.0816 2.1556 2.2180 2.6052 2.6764 3.2081 3.2491 3.3150 3.3575 3.5969 3.6317 3.8106 3.8147 4.5081 4.5633 4.6467 4.7464 8.1825 8.1973 8.6361 8.6493 9.0885 9.1284 9.4130 9.4482 k =-0.2759 0.3668 0.6081 ( 5556 PWs) bands (ev): -7.5426 -7.5382 -7.4209 -7.4169 -7.1370 -7.1355 -6.9057 -6.9023 -2.1599 -2.1232 -2.0907 -2.0412 -0.8424 -0.7346 -0.5329 -0.4989 -0.4275 -0.3429 0.1139 0.2741 0.5084 0.5397 0.8744 0.9475 2.0405 2.0781 2.1747 2.2387 2.5864 2.6663 3.1592 3.2173 3.2907 3.3726 3.5825 3.6137 3.7797 3.7885 4.5061 4.5645 4.6618 4.7589 8.2152 8.2309 8.5983 8.6087 9.0734 9.1107 9.4375 9.4635 k =-0.2849 0.3787 0.5932 ( 5554 PWs) bands (ev): -7.5477 -7.5432 -7.4198 -7.4158 -7.1411 -7.1397 -6.8978 -6.8943 -2.1604 -2.1246 -2.0926 -2.0398 -0.8427 -0.7308 -0.5441 -0.5019 -0.4180 -0.3424 0.1016 0.2609 0.5351 0.5645 0.9022 0.9725 2.0424 2.0761 2.1962 2.2641 2.5697 2.6563 3.1002 3.1652 3.2863 3.3954 3.5703 3.5967 3.7546 3.7706 4.5039 4.5655 4.6764 4.7702 8.2424 8.2594 8.5652 8.5753 9.0609 9.0954 9.4593 9.4800 k =-0.2939 0.3906 0.5783 ( 5548 PWs) bands (ev): -7.5518 -7.5472 -7.4184 -7.4145 -7.1449 -7.1436 -6.8914 -6.8878 -2.1608 -2.1257 -2.0945 -2.0383 -0.8433 -0.7255 -0.5559 -0.5042 -0.4085 -0.3420 0.0898 0.2475 0.5584 0.5868 0.9231 0.9924 2.0457 2.0757 2.2201 2.2928 2.5561 2.6470 3.0385 3.1054 3.2898 3.4197 3.5600 3.5813 3.7361 3.7591 4.5016 4.5660 4.6905 4.7798 8.2642 8.2829 8.5376 8.5504 9.0509 9.0828 9.4750 9.4979 k =-0.3028 0.4025 0.5633 ( 5550 PWs) bands (ev): -7.5551 -7.5505 -7.4166 -7.4127 -7.1484 -7.1472 -6.8864 -6.8828 -2.1611 -2.1264 -2.0961 -2.0368 -0.8442 -0.7188 -0.5677 -0.5059 -0.3989 -0.3418 0.0785 0.2338 0.5773 0.6061 0.9371 1.0076 2.0502 2.0769 2.2462 2.3236 2.5468 2.6392 2.9765 3.0441 3.2965 3.4431 3.5520 3.5691 3.7235 3.7532 4.4992 4.5662 4.7036 4.7877 8.2809 8.3012 8.5172 8.5340 9.0432 9.0729 9.4844 9.5145 k =-0.3118 0.4144 0.5484 ( 5555 PWs) bands (ev): -7.5575 -7.5528 -7.4145 -7.4107 -7.1516 -7.1505 -6.8830 -6.8793 -2.1615 -2.1267 -2.0976 -2.0353 -0.8454 -0.7109 -0.5793 -0.5073 -0.3896 -0.3418 0.0677 0.2200 0.5911 0.6222 0.9441 1.0183 2.0551 2.0793 2.2739 2.3555 2.5428 2.6337 2.9157 2.9839 3.3054 3.4627 3.5465 3.5626 3.7158 3.7518 4.4968 4.5660 4.7157 4.7938 8.2929 8.3144 8.5051 8.5261 9.0373 9.0656 9.4886 9.5264 k =-0.3207 0.4264 0.5335 ( 5551 PWs) bands (ev): -7.5590 -7.5543 -7.4119 -7.4082 -7.1545 -7.1534 -6.8811 -6.8773 -2.1619 -2.1267 -2.0988 -2.0339 -0.8467 -0.7018 -0.5905 -0.5083 -0.3805 -0.3418 0.0576 0.2063 0.5993 0.6343 0.9448 1.0247 2.0592 2.0830 2.3020 2.3873 2.5451 2.6314 2.8579 2.9268 3.3161 3.4745 3.5440 3.5661 3.7122 3.7544 4.4944 4.5653 4.7265 4.7979 8.3004 8.3226 8.5016 8.5265 9.0331 9.0607 9.4881 9.5317 k =-0.3207 0.4264 0.5335 ( 5551 PWs) bands (ev): -7.5590 -7.5543 -7.4119 -7.4082 -7.1545 -7.1534 -6.8811 -6.8773 -2.1619 -2.1267 -2.0988 -2.0339 -0.8467 -0.7018 -0.5905 -0.5083 -0.3805 -0.3418 0.0576 0.2063 0.5993 0.6343 0.9448 1.0247 2.0592 2.0830 2.3020 2.3873 2.5451 2.6314 2.8579 2.9268 3.3161 3.4745 3.5440 3.5661 3.7122 3.7544 4.4944 4.5653 4.7265 4.7979 8.3004 8.3226 8.5016 8.5265 9.0331 9.0607 9.4881 9.5317 k =-0.3118 0.4145 0.5187 ( 5551 PWs) bands (ev): -7.5656 -7.5612 -7.4029 -7.3989 -7.1579 -7.1571 -6.8783 -6.8745 -2.1627 -2.1242 -2.0952 -2.0336 -0.8416 -0.6969 -0.5865 -0.5004 -0.3819 -0.3465 0.0612 0.1977 0.5840 0.6218 0.9648 1.0497 2.0408 2.0589 2.2763 2.3599 2.5389 2.6295 2.8323 2.9004 3.2859 3.4500 3.5255 3.5854 3.7016 3.7747 4.5096 4.5796 4.7387 4.8090 8.3509 8.3744 8.5570 8.5798 9.0799 9.1121 9.5056 9.5456 k =-0.3029 0.4027 0.5039 ( 5555 PWs) bands (ev): -7.5768 -7.5728 -7.3916 -7.3873 -7.1584 -7.1579 -6.8755 -6.8716 -2.1629 -2.1217 -2.0913 -2.0333 -0.8358 -0.6923 -0.5825 -0.4928 -0.3852 -0.3504 0.0610 0.1849 0.5685 0.6077 0.9912 1.0787 2.0222 2.0343 2.2507 2.3330 2.5344 2.6293 2.8061 2.8731 3.2563 3.4207 3.5148 3.6028 3.7017 3.8010 4.5196 4.5872 4.7495 4.8180 8.3969 8.4213 8.6154 8.6358 9.1182 9.1535 9.5218 9.5602 k =-0.2940 0.3908 0.4891 ( 5559 PWs) bands (ev): -7.5920 -7.5885 -7.3782 -7.3739 -7.1564 -7.1562 -6.8726 -6.8687 -2.1625 -2.1192 -2.0871 -2.0330 -0.8292 -0.6883 -0.5784 -0.4857 -0.3904 -0.3532 0.0574 0.1687 0.5535 0.5926 1.0223 1.1105 2.0029 2.0098 2.2259 2.3071 2.5318 2.6309 2.7795 2.8451 3.2275 3.3884 3.5118 3.6161 3.7141 3.8316 4.5240 4.5881 4.7590 4.8249 8.4377 8.4626 8.6765 8.6945 9.1486 9.1853 9.5363 9.5747 k =-0.2851 0.3790 0.4743 ( 5555 PWs) bands (ev): -7.6106 -7.6076 -7.3632 -7.3588 -7.1523 -7.1522 -6.8697 -6.8658 -2.1615 -2.1166 -2.0828 -2.0328 -0.8220 -0.6850 -0.5741 -0.4798 -0.3967 -0.3551 0.0508 0.1501 0.5391 0.5771 1.0562 1.1441 1.9807 1.9880 2.2028 2.2825 2.5304 2.6337 2.7530 2.8170 3.2001 3.3555 3.5149 3.6261 3.7373 3.8655 4.5226 4.5822 4.7669 4.8294 8.4729 8.4979 8.7402 8.7556 9.1724 9.2089 9.5489 9.5874 k =-0.2762 0.3671 0.4594 ( 5561 PWs) bands (ev): -7.6319 -7.6293 -7.3469 -7.3424 -7.1464 -7.1461 -6.8668 -6.8629 -2.1600 -2.1141 -2.0783 -2.0326 -0.8142 -0.6825 -0.5696 -0.4759 -0.4028 -0.3565 0.0414 0.1301 0.5253 0.5615 1.0913 1.1783 1.9559 1.9692 2.1818 2.2596 2.5296 2.6364 2.7280 2.7896 3.1755 3.3243 3.5225 3.6348 3.7677 3.9023 4.5152 4.5701 4.7726 4.8317 8.5023 8.5268 8.8061 8.8191 9.1911 9.2263 9.5594 9.5974 k =-0.2673 0.3553 0.4446 ( 5557 PWs) bands (ev): -7.6553 -7.6531 -7.3296 -7.3250 -7.1391 -7.1386 -6.8639 -6.8600 -2.1580 -2.1116 -2.0736 -2.0325 -0.8058 -0.6809 -0.5649 -0.4751 -0.4071 -0.3576 0.0294 0.1101 0.5120 0.5461 1.1265 1.2124 1.9310 1.9519 2.1630 2.2385 2.5283 2.6357 2.7070 2.7635 3.1552 3.2966 3.5333 3.6436 3.8029 3.9416 4.5017 4.5524 4.7759 4.8317 8.5256 8.5491 8.8737 8.8843 9.2063 9.2395 9.5682 9.6045 k =-0.2584 0.3435 0.4298 ( 5567 PWs) bands (ev): -7.6802 -7.6784 -7.3114 -7.3068 -7.1305 -7.1298 -6.8611 -6.8572 -2.1555 -2.1091 -2.0689 -2.0325 -0.7969 -0.6802 -0.5601 -0.4782 -0.4085 -0.3587 0.0147 0.0911 0.4990 0.5308 1.1603 1.2454 1.9072 1.9361 2.1468 2.2193 2.5252 2.6265 2.6943 2.7395 3.1414 3.2741 3.5462 3.6525 3.8411 3.9828 4.4824 4.5297 4.7765 4.8295 8.5426 8.5645 8.9426 8.9509 9.2192 9.2500 9.5755 9.6090 k =-0.2495 0.3316 0.4150 ( 5563 PWs) bands (ev): -7.7063 -7.7047 -7.2926 -7.2880 -7.1209 -7.1201 -6.8582 -6.8544 -2.1525 -2.1065 -2.0641 -2.0326 -0.7877 -0.6802 -0.5557 -0.4847 -0.4069 -0.3597 -0.0025 0.0742 0.4862 0.5157 1.1917 1.2763 1.8851 1.9223 2.1332 2.2024 2.5193 2.6076 2.6892 2.7187 3.1360 3.2584 3.5602 3.6612 3.8816 4.0258 4.4575 4.5025 4.7744 4.8255 8.5531 8.5727 9.0119 9.0183 9.2311 9.2591 9.5818 9.6116 k =-0.2406 0.3198 0.4001 ( 5551 PWs) bands (ev): -7.7330 -7.7316 -7.2734 -7.2688 -7.1106 -7.1097 -6.8554 -6.8517 -2.1490 -2.1039 -2.0594 -2.0328 -0.7785 -0.6809 -0.5520 -0.4932 -0.4032 -0.3605 -0.0217 0.0596 0.4734 0.5009 1.2199 1.3044 1.8654 1.9107 2.1223 2.1879 2.5098 2.5832 2.6831 2.7042 3.1405 3.2511 3.5745 3.6690 3.9235 4.0701 4.4275 4.4716 4.7697 4.8200 8.5564 8.5736 9.0802 9.0853 9.2437 9.2677 9.5874 9.6125 k =-0.2316 0.3079 0.3853 ( 5557 PWs) bands (ev): -7.7601 -7.7590 -7.2539 -7.2494 -7.0998 -7.0987 -6.8527 -6.8490 -2.1451 -2.1013 -2.0547 -2.0330 -0.7697 -0.6817 -0.5500 -0.5020 -0.3986 -0.3608 -0.0419 0.0474 0.4607 0.4864 1.2441 1.3287 1.8485 1.9014 2.1143 2.1763 2.4964 2.5566 2.6696 2.6983 3.1559 3.2533 3.5882 3.6751 3.9663 4.1151 4.3933 4.4373 4.7626 4.8137 8.5518 8.5670 9.1440 9.1506 9.2603 9.2767 9.5924 9.6112 k =-0.2227 0.2961 0.3705 ( 5567 PWs) bands (ev): -7.7875 -7.7865 -7.2341 -7.2297 -7.0886 -7.0875 -6.8500 -6.8464 -2.1408 -2.0987 -2.0502 -2.0333 -0.7620 -0.6819 -0.5508 -0.5096 -0.3939 -0.3604 -0.0623 0.0370 0.4480 0.4721 1.2639 1.3487 1.8346 1.8943 2.1097 2.1679 2.4789 2.5294 2.6535 2.6945 3.1821 3.2657 3.6006 3.6788 4.0092 4.1600 4.3567 4.4003 4.7535 4.8070 8.5382 8.5528 9.1948 9.2111 9.2871 9.2888 9.5964 9.6060 k =-0.2138 0.2842 0.3557 ( 5559 PWs) bands (ev): -7.8148 -7.8139 -7.2142 -7.2099 -7.0771 -7.0759 -6.8473 -6.8438 -2.1362 -2.0961 -2.0460 -2.0336 -0.7565 -0.6806 -0.5551 -0.5146 -0.3897 -0.3588 -0.0820 0.0282 0.4353 0.4580 1.2794 1.3641 1.8235 1.8886 2.1087 2.1633 2.4573 2.5025 2.6382 2.6896 3.2181 3.2880 3.6113 3.6795 4.0510 4.2014 4.3217 4.3614 4.7432 4.8008 8.5149 8.5306 9.2246 9.2597 9.3016 9.3350 9.5896 9.6022 k =-0.2049 0.2724 0.3409 ( 5557 PWs) bands (ev): -7.8418 -7.8411 -7.1944 -7.1902 -7.0655 -7.0643 -6.8448 -6.8414 -2.1313 -2.0935 -2.0421 -2.0338 -0.7542 -0.6765 -0.5625 -0.5176 -0.3863 -0.3558 -0.1002 0.0209 0.4226 0.4442 1.2909 1.3748 1.8148 1.8834 2.1119 2.1629 2.4317 2.4765 2.6247 2.6836 3.2628 3.3194 3.6197 3.6767 4.0890 4.2254 4.3028 4.3237 4.7323 4.7956 8.4814 8.4998 9.2395 9.2857 9.3215 9.3844 9.5625 9.6081 k =-0.1960 0.2606 0.3260 ( 5561 PWs) bands (ev): -7.8685 -7.8679 -7.1746 -7.1705 -7.0539 -7.0527 -6.8423 -6.8390 -2.1261 -2.0909 -2.0392 -2.0335 -0.7557 -0.6692 -0.5717 -0.5197 -0.3838 -0.3517 -0.1165 0.0147 0.4100 0.4306 1.2989 1.3814 1.8075 1.8778 2.1192 2.1669 2.4025 2.4514 2.6137 2.6773 3.3146 3.3580 3.6257 3.6705 4.1146 4.2141 4.2823 4.3321 4.7217 4.7920 8.4381 8.4596 9.2448 9.2962 9.3266 9.3994 9.5492 9.6234 k =-0.1871 0.2487 0.3112 ( 5553 PWs) bands (ev): -7.8947 -7.8942 -7.1550 -7.1510 -7.0424 -7.0411 -6.8399 -6.8368 -2.1208 -2.0883 -2.0378 -2.0319 -0.7605 -0.6592 -0.5816 -0.5218 -0.3819 -0.3469 -0.1304 0.0097 0.3975 0.4174 1.3044 1.3846 1.8009 1.8711 2.1302 2.1751 2.3708 2.4267 2.6057 2.6715 3.3721 3.4010 3.6293 3.6618 4.1094 4.1945 4.2654 4.3738 4.7121 4.7906 8.3851 8.4097 9.2335 9.2925 9.3072 9.3581 9.5853 9.6537 k =-0.1782 0.2369 0.2964 ( 5559 PWs) bands (ev): -7.9202 -7.9198 -7.1356 -7.1318 -7.0310 -7.0297 -6.8377 -6.8347 -2.1154 -2.0857 -2.0378 -2.0294 -0.7677 -0.6477 -0.5913 -0.5240 -0.3805 -0.3421 -0.1415 0.0058 0.3851 0.4044 1.3081 1.3854 1.7944 1.8631 2.1438 2.1869 2.3377 2.4025 2.6009 2.6670 3.4328 3.4449 3.6277 3.6566 4.0763 4.1625 4.2836 4.4197 4.7044 4.7915 8.3230 8.3501 9.1890 9.2355 9.2938 9.3291 9.6397 9.6931 k =-0.1693 0.2250 0.2816 ( 5563 PWs) bands (ev): -7.9450 -7.9447 -7.1165 -7.1129 -7.0198 -7.0185 -6.8355 -6.8327 -2.1099 -2.0832 -2.0381 -2.0269 -0.7764 -0.6373 -0.5988 -0.5261 -0.3795 -0.3378 -0.1495 0.0030 0.3728 0.3919 1.3110 1.3850 1.7874 1.8539 2.1581 2.2010 2.3040 2.3793 2.5995 2.6645 3.4766 3.5006 3.6152 3.6670 4.0338 4.1229 4.3190 4.4660 4.6994 4.7951 8.2524 8.2813 9.1163 9.1477 9.2826 9.3191 9.6904 9.7308 k =-0.1604 0.2132 0.2668 ( 5567 PWs) bands (ev): -7.9690 -7.9687 -7.0979 -7.0945 -7.0088 -7.0076 -6.8335 -6.8309 -2.1044 -2.0808 -2.0386 -2.0246 -0.7860 -0.6343 -0.5983 -0.5279 -0.3790 -0.3344 -0.1543 0.0012 0.3605 0.3797 1.3139 1.3840 1.7799 1.8438 2.1705 2.2155 2.2709 2.3582 2.6014 2.6642 3.4959 3.5649 3.5956 3.6960 3.9903 4.0839 4.3591 4.5114 4.6978 4.8013 8.1740 8.2041 9.0310 9.0541 9.2667 9.3060 9.7312 9.7638 k =-0.1515 0.2013 0.2519 ( 5561 PWs) bands (ev): -7.9920 -7.9918 -7.0797 -7.0765 -6.9983 -6.9971 -6.8316 -6.8292 -2.0989 -2.0784 -2.0392 -2.0227 -0.7960 -0.6416 -0.5875 -0.5289 -0.3791 -0.3323 -0.1558 0.0005 0.3484 0.3679 1.3174 1.3835 1.7720 1.8331 2.1775 2.2214 2.2465 2.3414 2.6065 2.6664 3.4975 3.5730 3.6264 3.7383 3.9518 4.0506 4.4004 4.5547 4.7004 4.8101 8.0888 8.1194 8.9411 8.9604 9.2423 9.2843 9.7668 9.7965 k =-0.1426 0.1895 0.2371 ( 5549 PWs) bands (ev): -8.0141 -8.0139 -7.0620 -7.0590 -6.9881 -6.9869 -6.8298 -6.8276 -2.0935 -2.0762 -2.0397 -2.0212 -0.8059 -0.6535 -0.5722 -0.5288 -0.3799 -0.3314 -0.1543 0.0007 0.3364 0.3565 1.3222 1.3840 1.7640 1.8223 2.1760 2.1966 2.2514 2.3304 2.6148 2.6714 3.4873 3.5493 3.6775 3.7765 3.9303 4.0304 4.4414 4.5941 4.7087 4.8211 7.9978 8.0281 8.8510 8.8685 9.2084 9.2523 9.8029 9.8322 k =-0.1336 0.1776 0.2223 ( 5545 PWs) bands (ev): -8.0352 -8.0350 -7.0449 -7.0422 -6.9783 -6.9772 -6.8282 -6.8262 -2.0883 -2.0740 -2.0401 -2.0201 -0.8156 -0.6671 -0.5560 -0.5270 -0.3815 -0.3316 -0.1501 0.0018 0.3246 0.3455 1.3288 1.3860 1.7561 1.8116 2.1629 2.1669 2.2607 2.3250 2.6261 2.6793 3.4708 3.5256 3.7075 3.7831 3.9494 4.0334 4.4817 4.6275 4.7243 4.8342 7.9020 7.9315 8.7630 8.7796 9.1655 9.2101 9.8419 9.8718 k =-0.1247 0.1658 0.2075 ( 5553 PWs) bands (ev): -8.0551 -8.0549 -7.0285 -7.0260 -6.9690 -6.9679 -6.8268 -6.8250 -2.0833 -2.0720 -2.0405 -2.0196 -0.8246 -0.6815 -0.5413 -0.5221 -0.3839 -0.3327 -0.1438 0.0038 0.3130 0.3348 1.3376 1.3901 1.7487 1.8014 2.1322 2.1471 2.2661 2.3220 2.6403 2.6900 3.4519 3.5030 3.7095 3.7600 4.0047 4.0659 4.5209 4.6535 4.7483 4.8490 7.8024 7.8306 8.6786 8.6944 9.1150 9.1591 9.8844 9.9152 k =-0.1158 0.1540 0.1927 ( 5547 PWs) bands (ev): -8.0739 -8.0737 -7.0129 -7.0106 -6.9601 -6.9591 -6.8255 -6.8239 -2.0785 -2.0700 -2.0408 -2.0194 -0.8329 -0.6963 -0.5319 -0.5107 -0.3872 -0.3343 -0.1358 0.0065 0.3017 0.3244 1.3490 1.3965 1.7420 1.7920 2.1009 2.1236 2.2657 2.3179 2.6573 2.7035 3.4331 3.4822 3.6893 3.7275 4.0745 4.1219 4.5588 4.6736 4.7787 4.8651 7.7000 7.7266 8.5988 8.6135 9.0590 9.1016 9.9300 9.9618 k =-0.1069 0.1421 0.1778 ( 5547 PWs) bands (ev): -8.0914 -8.0913 -6.9980 -6.9960 -6.9518 -6.9509 -6.8244 -6.8230 -2.0740 -2.0681 -2.0409 -2.0197 -0.8404 -0.7112 -0.5264 -0.4948 -0.3912 -0.3361 -0.1265 0.0098 0.2907 0.3141 1.3631 1.4054 1.7363 1.7836 2.0706 2.0975 2.2589 2.3097 2.6765 2.7193 3.4162 3.4638 3.6582 3.6922 4.1498 4.1904 4.5955 4.6911 4.8119 4.8823 7.5959 7.6206 8.5240 8.5376 8.9994 9.0398 9.9781 10.0107 k =-0.0980 0.1303 0.1630 ( 5537 PWs) bands (ev): -8.1077 -8.1076 -6.9839 -6.9822 -6.9441 -6.9433 -6.8235 -6.8223 -2.0698 -2.0663 -2.0411 -2.0204 -0.8469 -0.7259 -0.5216 -0.4779 -0.3958 -0.3379 -0.1163 0.0134 0.2801 0.3040 1.3801 1.4170 1.7318 1.7765 2.0414 2.0700 2.2452 2.2961 2.6973 2.7368 3.4025 3.4484 3.6238 3.6560 4.2268 4.2638 4.6315 4.7085 4.8456 4.9001 7.4911 7.5136 8.4548 8.4671 8.9383 8.9759 10.0276 10.0611 k =-0.0891 0.1184 0.1482 ( 5535 PWs) bands (ev): -8.1227 -8.1226 -6.9708 -6.9693 -6.9370 -6.9362 -6.8227 -6.8217 -2.0658 -2.0646 -2.0411 -2.0214 -0.8523 -0.7402 -0.5166 -0.4613 -0.4008 -0.3397 -0.1053 0.0173 0.2700 0.2940 1.4000 1.4315 1.7286 1.7711 2.0134 2.0420 2.2249 2.2766 2.7190 2.7551 3.3925 3.4363 3.5895 3.6203 4.3025 4.3373 4.6673 4.7274 4.8782 4.9184 7.3867 7.4069 8.3913 8.4022 8.8773 8.9119 10.0778 10.1121 k =-0.0802 0.1066 0.1334 ( 5535 PWs) bands (ev): -8.1364 -8.1363 -6.9587 -6.9574 -6.9304 -6.9297 -6.8222 -6.8213 -2.0629 -2.0622 -2.0411 -2.0228 -0.8567 -0.7541 -0.5114 -0.4458 -0.4058 -0.3414 -0.0938 0.0211 0.2604 0.2842 1.4229 1.4487 1.7266 1.7677 1.9867 2.0139 2.1984 2.2515 2.7408 2.7737 3.3864 3.4274 3.5571 3.5861 4.3743 4.4072 4.7041 4.7496 4.9091 4.9368 7.2837 7.3015 8.3339 8.3434 8.8181 8.8495 10.1276 10.1626 k =-0.0713 0.0947 0.1186 ( 5541 PWs) bands (ev): -8.1487 -8.1486 -6.9476 -6.9465 -6.9245 -6.9239 -6.8218 -6.8211 -2.0611 -2.0590 -2.0410 -2.0245 -0.8599 -0.7674 -0.5059 -0.4325 -0.4098 -0.3429 -0.0819 0.0245 0.2515 0.2746 1.4484 1.4688 1.7256 1.7667 1.9613 1.9864 2.1664 2.2213 2.7620 2.7916 3.3839 3.4215 3.5273 3.5543 4.4394 4.4702 4.7434 4.7765 4.9379 4.9551 7.1835 7.1988 8.2826 8.2907 8.7619 8.7900 10.1763 10.2115 k =-0.0624 0.0829 0.1037 ( 5539 PWs) bands (ev): -8.1596 -8.1595 -6.9375 -6.9367 -6.9192 -6.9187 -6.8216 -6.8211 -2.0593 -2.0561 -2.0410 -2.0264 -0.8620 -0.7801 -0.5002 -0.4260 -0.4084 -0.3442 -0.0697 0.0274 0.2433 0.2652 1.4762 1.4915 1.7255 1.7688 1.9372 1.9600 2.1301 2.1870 2.7820 2.8082 3.3846 3.4180 3.5007 3.5253 4.4951 4.5231 4.7863 4.8095 4.9646 4.9732 7.0874 7.1002 8.2374 8.2442 8.7100 8.7346 10.2228 10.2576 k =-0.0535 0.0711 0.0889 ( 5551 PWs) bands (ev): -8.1691 -8.1691 -6.9287 -6.9280 -6.9146 -6.9141 -6.8215 -6.8211 -2.0575 -2.0535 -2.0410 -2.0285 -0.8630 -0.7920 -0.4945 -0.4284 -0.3996 -0.3454 -0.0572 0.0295 0.2360 0.2563 1.5051 1.5173 1.7259 1.7742 1.9142 1.9353 2.0904 2.1495 2.8003 2.8231 3.3877 3.4163 3.4777 3.4996 4.5399 4.5641 4.8324 4.8482 4.9894 4.9912 6.9969 7.0074 8.1984 8.2040 8.6632 8.6844 10.2662 10.2995 k =-0.0445 0.0592 0.0741 ( 5571 PWs) bands (ev): -8.1772 -8.1772 -6.9211 -6.9206 -6.9105 -6.9101 -6.8216 -6.8213 -2.0556 -2.0513 -2.0410 -2.0308 -0.8628 -0.8031 -0.4887 -0.4333 -0.3896 -0.3466 -0.0446 0.0304 0.2297 0.2478 1.5336 1.5466 1.7270 1.7831 1.8920 1.9135 2.0486 2.1099 2.8164 2.8358 3.3926 3.4156 3.4586 3.4775 4.5740 4.5937 4.8793 4.8894 5.0094 5.0128 6.9140 6.9223 8.1656 8.1701 8.6225 8.6402 10.3055 10.3356 k =-0.0356 0.0474 0.0593 ( 5555 PWs) bands (ev): -8.1839 -8.1838 -6.9148 -6.9144 -6.9071 -6.9068 -6.8217 -6.8216 -2.0536 -2.0493 -2.0410 -2.0332 -0.8615 -0.8134 -0.4830 -0.4388 -0.3806 -0.3479 -0.0322 0.0299 0.2247 0.2400 1.5609 1.5781 1.7288 1.7953 1.8704 1.8954 2.0063 2.0695 2.8302 2.8460 3.3984 3.4153 3.4434 3.4591 4.5989 4.6141 4.9222 4.9282 5.0287 5.0357 6.8408 6.8470 8.1390 8.1425 8.5885 8.6028 10.3391 10.3643 k =-0.0267 0.0355 0.0445 ( 5551 PWs) bands (ev): -8.1890 -8.1890 -6.9100 -6.9098 -6.9042 -6.9040 -6.8219 -6.8218 -2.0516 -2.0478 -2.0412 -2.0356 -0.8591 -0.8228 -0.4773 -0.4443 -0.3729 -0.3494 -0.0202 0.0277 0.2211 0.2331 1.5868 1.6087 1.7325 1.8095 1.8502 1.8819 1.9656 2.0293 2.8415 2.8535 3.4046 3.4146 3.4322 3.4446 4.6165 4.6274 4.9558 4.9592 5.0501 5.0583 6.7799 6.7843 8.1184 8.1210 8.5619 8.5726 10.3657 10.3847 k =-0.0178 0.0237 0.0296 ( 5547 PWs) bands (ev): -8.1927 -8.1927 -6.9068 -6.9066 -6.9019 -6.9017 -6.8221 -6.8221 -2.0496 -2.0466 -2.0413 -2.0378 -0.8556 -0.8313 -0.4718 -0.4498 -0.3664 -0.3513 -0.0088 0.0238 0.2191 0.2274 1.6105 1.6333 1.7406 1.8180 1.8374 1.8733 1.9313 1.9908 2.8502 2.8583 3.4105 3.4135 3.4242 3.4342 4.6285 4.6355 4.9780 4.9800 5.0718 5.0786 6.7339 6.7367 8.1039 8.1056 8.5431 8.5502 10.3843 10.3969 k =-0.0089 0.0118 0.0148 ( 5551 PWs) bands (ev): -8.1949 -8.1949 -6.9050 -6.9049 -6.9003 -6.9002 -6.8223 -6.8222 -2.0477 -2.0460 -2.0414 -2.0398 -0.8511 -0.8389 -0.4662 -0.4553 -0.3612 -0.3538 0.0015 0.0181 0.2187 0.2229 1.6302 1.6455 1.7568 1.8029 1.8445 1.8662 1.9154 1.9559 2.8563 2.8603 3.4129 3.4154 3.4192 3.4272 4.6359 4.6393 4.9902 4.9912 5.0887 5.0925 6.7054 6.7067 8.0954 8.0963 8.5324 8.5360 10.3959 10.4021 k = 0.0000 0.0000 0.0000 ( 5557 PWs) bands (ev): -8.1957 -8.1957 -6.9044 -6.9044 -6.8997 -6.8997 -6.8223 -6.8223 -2.0463 -2.0463 -2.0411 -2.0411 -0.8455 -0.8455 -0.4608 -0.4608 -0.3570 -0.3570 0.0106 0.0106 0.2200 0.2200 1.6432 1.6432 1.7798 1.7798 1.8549 1.8549 1.9277 1.9277 2.8597 2.8597 3.4141 3.4141 3.4220 3.4220 4.6394 4.6394 4.9943 4.9943 5.0963 5.0963 6.6961 6.6961 8.0928 8.0928 8.5300 8.5300 10.4016 10.4016 k = 0.0000 0.0000 0.0000 ( 5557 PWs) bands (ev): -8.1957 -8.1957 -6.9044 -6.9044 -6.8997 -6.8997 -6.8223 -6.8223 -2.0463 -2.0463 -2.0411 -2.0411 -0.8455 -0.8455 -0.4608 -0.4608 -0.3570 -0.3570 0.0106 0.0106 0.2200 0.2200 1.6432 1.6432 1.7798 1.7798 1.8549 1.8549 1.9277 1.9277 2.8597 2.8597 3.4141 3.4141 3.4220 3.4220 4.6394 4.6394 4.9943 4.9943 5.0963 5.0963 6.6961 6.6961 8.0928 8.0928 8.5300 8.5300 10.4016 10.4016 k = 0.0167 0.0125 0.0000 ( 5545 PWs) bands (ev): -8.1949 -8.1949 -6.9044 -6.9044 -6.8998 -6.8998 -6.8235 -6.8235 -2.0488 -2.0488 -2.0390 -2.0390 -0.8453 -0.8453 -0.4602 -0.4602 -0.3574 -0.3574 0.0111 0.0111 0.2178 0.2178 1.6470 1.6470 1.7803 1.7803 1.8561 1.8561 1.9271 1.9271 2.8618 2.8618 3.4151 3.4151 3.4235 3.4235 4.6360 4.6360 4.9906 4.9906 5.0941 5.0941 6.7009 6.7009 8.0953 8.0953 8.5316 8.5316 10.3888 10.3888 k = 0.0333 0.0251 0.0000 ( 5545 PWs) bands (ev): -8.1927 -8.1927 -6.9045 -6.9045 -6.8998 -6.8998 -6.8269 -6.8269 -2.0531 -2.0531 -2.0359 -2.0359 -0.8450 -0.8450 -0.4585 -0.4585 -0.3587 -0.3587 0.0126 0.0126 0.2113 0.2113 1.6582 1.6582 1.7818 1.7818 1.8597 1.8597 1.9251 1.9251 2.8683 2.8683 3.4184 3.4184 3.4280 3.4280 4.6260 4.6260 4.9798 4.9798 5.0876 5.0876 6.7153 6.7153 8.1024 8.1024 8.5366 8.5366 10.3518 10.3518 k = 0.0500 0.0376 0.0000 ( 5549 PWs) bands (ev): -8.1889 -8.1889 -6.9046 -6.9046 -6.9000 -6.9000 -6.8327 -6.8327 -2.0579 -2.0579 -2.0330 -2.0330 -0.8443 -0.8443 -0.4557 -0.4557 -0.3608 -0.3608 0.0149 0.0150 0.2010 0.2010 1.6764 1.6764 1.7840 1.7840 1.8657 1.8657 1.9225 1.9225 2.8789 2.8789 3.4240 3.4240 3.4354 3.4354 4.6093 4.6093 4.9623 4.9623 5.0768 5.0768 6.7385 6.7385 8.1140 8.1140 8.5450 8.5450 10.2938 10.2938 k = 0.0667 0.0502 0.0000 ( 5569 PWs) bands (ev): -8.1836 -8.1836 -6.9049 -6.9049 -6.9001 -6.9001 -6.8408 -6.8408 -2.0631 -2.0631 -2.0305 -2.0305 -0.8435 -0.8435 -0.4520 -0.4520 -0.3636 -0.3636 0.0181 0.0181 0.1876 0.1876 1.7007 1.7007 1.7866 1.7866 1.8741 1.8741 1.9199 1.9199 2.8934 2.8934 3.4319 3.4319 3.4454 3.4454 4.5863 4.5863 4.9391 4.9391 5.0618 5.0618 6.7698 6.7698 8.1296 8.1296 8.5570 8.5570 10.2187 10.2187 k = 0.0833 0.0627 0.0000 ( 5561 PWs) bands (ev): -8.1768 -8.1768 -6.9052 -6.9052 -6.9004 -6.9004 -6.8511 -6.8511 -2.0684 -2.0684 -2.0286 -2.0285 -0.8424 -0.8424 -0.4478 -0.4478 -0.3672 -0.3672 0.0217 0.0217 0.1722 0.1722 1.7296 1.7296 1.7894 1.7894 1.8846 1.8846 1.9188 1.9188 2.9114 2.9114 3.4422 3.4422 3.4579 3.4579 4.5571 4.5571 4.9112 4.9112 5.0429 5.0429 6.8080 6.8080 8.1485 8.1485 8.5728 8.5728 10.1300 10.1300 k = 0.1000 0.0752 0.0000 ( 5565 PWs) bands (ev): -8.1686 -8.1686 -6.9055 -6.9055 -6.9007 -6.9007 -6.8635 -6.8635 -2.0739 -2.0739 -2.0271 -2.0271 -0.8412 -0.8412 -0.4432 -0.4432 -0.3715 -0.3715 0.0252 0.0252 0.1563 0.1563 1.7579 1.7579 1.7954 1.7954 1.8968 1.8968 1.9212 1.9212 2.9327 2.9327 3.4547 3.4548 3.4728 3.4729 4.5224 4.5224 4.8795 4.8795 5.0203 5.0203 6.8520 6.8520 8.1701 8.1701 8.5926 8.5926 10.0308 10.0308 k = 0.1167 0.0878 0.0000 ( 5557 PWs) bands (ev): -8.1588 -8.1588 -6.9059 -6.9059 -6.9010 -6.9010 -6.8780 -6.8780 -2.0794 -2.0794 -2.0260 -2.0260 -0.8399 -0.8399 -0.4387 -0.4387 -0.3764 -0.3764 0.0272 0.0272 0.1421 0.1421 1.7698 1.7698 1.8181 1.8181 1.9095 1.9095 1.9297 1.9297 2.9569 2.9569 3.4695 3.4695 3.4900 3.4900 4.4826 4.4826 4.8449 4.8449 4.9942 4.9942 6.9006 6.9006 8.1933 8.1933 8.6165 8.6165 9.9237 9.9237 k = 0.1333 0.1003 0.0000 ( 5557 PWs) bands (ev): -8.1476 -8.1476 -6.9066 -6.9066 -6.9014 -6.9014 -6.8943 -6.8943 -2.0850 -2.0850 -2.0255 -2.0255 -0.8384 -0.8384 -0.4348 -0.4348 -0.3817 -0.3817 0.0257 0.0257 0.1326 0.1326 1.7662 1.7662 1.8544 1.8544 1.9225 1.9225 1.9465 1.9465 2.9835 2.9835 3.4863 3.4863 3.5093 3.5093 4.4386 4.4386 4.8080 4.8080 4.9649 4.9649 6.9527 6.9527 8.2173 8.2173 8.6447 8.6447 9.8109 9.8109 k = 0.1500 0.1128 0.0000 ( 5557 PWs) bands (ev): -8.1350 -8.1350 -6.9141 -6.9141 -6.9060 -6.9060 -6.9016 -6.9016 -2.0905 -2.0905 -2.0255 -2.0255 -0.8369 -0.8369 -0.4322 -0.4322 -0.3871 -0.3871 0.0188 0.0188 0.1304 0.1304 1.7565 1.7565 1.8919 1.8919 1.9376 1.9376 1.9716 1.9716 3.0121 3.0121 3.5050 3.5050 3.5305 3.5305 4.3912 4.3912 4.7693 4.7693 4.9328 4.9328 7.0071 7.0071 8.2412 8.2412 8.6770 8.6770 9.6945 9.6945 k = 0.1667 0.1254 0.0000 ( 5553 PWs) bands (ev): -8.1210 -8.1210 -6.9340 -6.9340 -6.9069 -6.9069 -6.9021 -6.9021 -2.0959 -2.0959 -2.0259 -2.0259 -0.8353 -0.8353 -0.4316 -0.4316 -0.3922 -0.3922 0.0067 0.0067 0.1364 0.1364 1.7433 1.7433 1.9251 1.9251 1.9566 1.9566 2.0056 2.0056 3.0425 3.0425 3.5254 3.5254 3.5533 3.5534 4.3415 4.3415 4.7294 4.7294 4.8982 4.8982 7.0628 7.0628 8.2643 8.2643 8.7129 8.7129 9.5759 9.5759 k = 0.1833 0.1379 0.0000 ( 5569 PWs) bands (ev): -8.1056 -8.1056 -6.9561 -6.9561 -6.9076 -6.9076 -6.9026 -6.9026 -2.1012 -2.1012 -2.0267 -2.0267 -0.8335 -0.8335 -0.4339 -0.4339 -0.3967 -0.3967 -0.0086 -0.0086 0.1490 0.1490 1.7277 1.7277 1.9528 1.9528 1.9792 1.9792 2.0480 2.0480 3.0741 3.0741 3.5473 3.5473 3.5776 3.5777 4.2903 4.2903 4.6886 4.6886 4.8616 4.8616 7.1189 7.1189 8.2861 8.2861 8.7514 8.7514 9.4567 9.4567 k = 0.2000 0.1505 0.0000 ( 5557 PWs) bands (ev): -8.0888 -8.0888 -6.9799 -6.9799 -6.9081 -6.9081 -6.9031 -6.9030 -2.1062 -2.1062 -2.0278 -2.0278 -0.8317 -0.8317 -0.4394 -0.4394 -0.4004 -0.4004 -0.0249 -0.0249 0.1666 0.1666 1.7103 1.7103 1.9778 1.9778 2.0040 2.0040 2.0959 2.0959 3.1067 3.1067 3.5704 3.5704 3.6031 3.6031 4.2386 4.2386 4.6471 4.6471 4.8233 4.8233 7.1741 7.1741 8.3064 8.3064 8.7910 8.7910 9.3381 9.3381 k = 0.2167 0.1630 0.0000 ( 5549 PWs) bands (ev): -8.0707 -8.0707 -7.0052 -7.0052 -6.9087 -6.9087 -6.9035 -6.9035 -2.1111 -2.1111 -2.0294 -2.0294 -0.8297 -0.8297 -0.4478 -0.4478 -0.4037 -0.4037 -0.0407 -0.0407 0.1883 0.1883 1.6916 1.6916 2.0026 2.0026 2.0301 2.0301 2.1465 2.1465 3.1400 3.1400 3.5944 3.5945 3.6294 3.6294 4.1874 4.1874 4.6053 4.6053 4.7838 4.7838 7.2274 7.2274 8.3254 8.3254 8.8298 8.8298 9.2216 9.2216 k = 0.2333 0.1755 0.0000 ( 5553 PWs) bands (ev): -8.0513 -8.0513 -7.0320 -7.0320 -6.9093 -6.9093 -6.9041 -6.9040 -2.1156 -2.1156 -2.0312 -2.0312 -0.8275 -0.8275 -0.4587 -0.4587 -0.4072 -0.4072 -0.0553 -0.0553 0.2131 0.2131 1.6720 1.6720 2.0280 2.0280 2.0570 2.0571 2.1978 2.1978 3.1735 3.1735 3.6190 3.6190 3.6561 3.6561 4.1376 4.1376 4.5636 4.5636 4.7437 4.7437 7.2774 7.2774 8.3435 8.3435 8.8642 8.8642 9.1092 9.1092 k = 0.2500 0.1881 0.0000 ( 5565 PWs) bands (ev): -8.0307 -8.0307 -7.0601 -7.0601 -6.9099 -6.9099 -6.9046 -6.9046 -2.1199 -2.1199 -2.0332 -2.0332 -0.8251 -0.8251 -0.4716 -0.4716 -0.4111 -0.4111 -0.0682 -0.0682 0.2407 0.2407 1.6517 1.6517 2.0544 2.0544 2.0847 2.0847 2.2487 2.2487 3.2069 3.2069 3.6438 3.6438 3.6827 3.6827 4.0900 4.0900 4.5224 4.5224 4.7033 4.7033 7.3228 7.3228 8.3614 8.3614 8.8858 8.8858 9.0072 9.0073 k = 0.2667 0.2006 0.0000 ( 5585 PWs) bands (ev): -8.0089 -8.0089 -7.0893 -7.0893 -6.9105 -6.9105 -6.9051 -6.9051 -2.1239 -2.1239 -2.0355 -2.0355 -0.8225 -0.8225 -0.4862 -0.4862 -0.4155 -0.4155 -0.0792 -0.0792 0.2706 0.2706 1.6309 1.6309 2.0815 2.0815 2.1129 2.1129 2.2983 2.2983 3.2401 3.2401 3.6683 3.6683 3.7086 3.7086 4.0455 4.0455 4.4821 4.4821 4.6634 4.6634 7.3623 7.3623 8.3799 8.3799 8.8543 8.8543 8.9389 8.9389 k = 0.2833 0.2131 0.0000 ( 5585 PWs) bands (ev): -7.9859 -7.9859 -7.1196 -7.1196 -6.9111 -6.9111 -6.9056 -6.9056 -2.1275 -2.1275 -2.0379 -2.0379 -0.8195 -0.8195 -0.5021 -0.5021 -0.4204 -0.4204 -0.0884 -0.0884 0.3022 0.3022 1.6098 1.6098 2.1092 2.1092 2.1413 2.1413 2.3456 2.3456 3.2725 3.2725 3.6921 3.6921 3.7332 3.7332 4.0049 4.0049 4.4434 4.4434 4.6244 4.6244 7.3944 7.3944 8.3999 8.3999 8.7668 8.7668 8.8429 8.8429 k = 0.3000 0.2257 0.0000 ( 5585 PWs) bands (ev): -7.9619 -7.9619 -7.1508 -7.1508 -6.9116 -6.9116 -6.9061 -6.9061 -2.1309 -2.1309 -2.0404 -2.0404 -0.8162 -0.8162 -0.5191 -0.5191 -0.4255 -0.4255 -0.0959 -0.0959 0.3353 0.3353 1.5884 1.5884 2.1373 2.1373 2.1698 2.1699 2.3901 2.3901 3.3040 3.3040 3.7147 3.7147 3.7555 3.7555 3.9692 3.9692 4.4068 4.4068 4.5869 4.5869 7.4180 7.4180 8.4207 8.4207 8.6760 8.6760 8.7438 8.7438 k = 0.3167 0.2382 0.0000 ( 5577 PWs) bands (ev): -7.9368 -7.9368 -7.1827 -7.1827 -6.9122 -6.9122 -6.9066 -6.9066 -2.1339 -2.1339 -2.0429 -2.0429 -0.8126 -0.8126 -0.5368 -0.5368 -0.4306 -0.4306 -0.1021 -0.1020 0.3692 0.3692 1.5669 1.5669 2.1654 2.1654 2.1981 2.1981 2.4312 2.4312 3.3342 3.3342 3.7355 3.7355 3.7741 3.7741 3.9393 3.9393 4.3731 4.3731 4.5515 4.5515 7.4327 7.4327 8.4371 8.4371 8.5977 8.5977 8.6493 8.6493 k = 0.3333 0.2508 0.0000 ( 5577 PWs) bands (ev): -7.9108 -7.9108 -7.2152 -7.2152 -6.9127 -6.9127 -6.9070 -6.9070 -2.1366 -2.1366 -2.0455 -2.0455 -0.8084 -0.8084 -0.5550 -0.5550 -0.4357 -0.4357 -0.1070 -0.1070 0.4036 0.4036 1.5455 1.5455 2.1932 2.1932 2.2258 2.2258 2.4683 2.4683 3.3628 3.3628 3.7541 3.7541 3.7876 3.7876 3.9165 3.9165 4.3431 4.3431 4.5189 4.5189 7.4386 7.4386 8.4248 8.4248 8.5536 8.5536 8.5652 8.5652 k = 0.3500 0.2633 0.0000 ( 5565 PWs) bands (ev): -7.8840 -7.8840 -7.2482 -7.2482 -6.9132 -6.9132 -6.9074 -6.9074 -2.1389 -2.1389 -2.0479 -2.0479 -0.8038 -0.8038 -0.5733 -0.5733 -0.4406 -0.4406 -0.1109 -0.1109 0.4379 0.4379 1.5244 1.5244 2.2203 2.2203 2.2525 2.2525 2.5013 2.5013 3.3897 3.3897 3.7698 3.7698 3.7946 3.7946 3.9017 3.9017 4.3174 4.3174 4.4895 4.4895 7.4365 7.4365 8.3704 8.3704 8.4761 8.4761 8.5744 8.5744 k = 0.3667 0.2758 0.0000 ( 5541 PWs) bands (ev): -7.8564 -7.8564 -7.2813 -7.2813 -6.9136 -6.9136 -6.9078 -6.9078 -2.1410 -2.1410 -2.0503 -2.0503 -0.7987 -0.7987 -0.5915 -0.5915 -0.4452 -0.4452 -0.1140 -0.1140 0.4714 0.4715 1.5037 1.5037 2.2464 2.2464 2.2780 2.2780 2.5298 2.5298 3.4145 3.4145 3.7818 3.7818 3.7958 3.7958 3.8940 3.8940 4.2968 4.2968 4.4637 4.4637 7.4278 7.4278 8.3043 8.3043 8.4000 8.4000 8.6118 8.6118 k = 0.3833 0.2884 0.0000 ( 5545 PWs) bands (ev): -7.8284 -7.8284 -7.3145 -7.3145 -6.9141 -6.9141 -6.9082 -6.9082 -2.1427 -2.1427 -2.0526 -2.0526 -0.7930 -0.7930 -0.6093 -0.6093 -0.4493 -0.4493 -0.1164 -0.1164 0.5037 0.5037 1.4837 1.4837 2.2709 2.2709 2.3017 2.3017 2.5540 2.5540 3.4370 3.4370 3.7858 3.7858 3.7975 3.7976 3.8908 3.8908 4.2814 4.2814 4.4418 4.4418 7.4144 7.4144 8.2406 8.2406 8.3310 8.3310 8.6566 8.6566 k = 0.4000 0.3009 0.0000 ( 5525 PWs) bands (ev): -7.8000 -7.8000 -7.3474 -7.3474 -6.9144 -6.9144 -6.9085 -6.9085 -2.1442 -2.1442 -2.0546 -2.0546 -0.7868 -0.7868 -0.6265 -0.6265 -0.4531 -0.4531 -0.1183 -0.1183 0.5339 0.5339 1.4649 1.4649 2.2934 2.2934 2.3232 2.3233 2.5739 2.5739 3.4571 3.4571 3.7815 3.7815 3.8030 3.8030 3.8889 3.8889 4.2712 4.2712 4.4239 4.4239 7.3982 7.3982 8.1829 8.1829 8.2699 8.2699 8.7020 8.7020 k = 0.4167 0.3135 0.0000 ( 5525 PWs) bands (ev): -7.7717 -7.7717 -7.3797 -7.3797 -6.9147 -6.9147 -6.9088 -6.9088 -2.1454 -2.1454 -2.0564 -2.0564 -0.7801 -0.7801 -0.6428 -0.6428 -0.4563 -0.4563 -0.1198 -0.1198 0.5614 0.5614 1.4476 1.4476 2.3135 2.3135 2.3423 2.3423 2.5899 2.5899 3.4745 3.4745 3.7757 3.7758 3.8074 3.8074 3.8868 3.8868 4.2655 4.2655 4.4097 4.4097 7.3810 7.3810 8.1328 8.1328 8.2171 8.2171 8.7408 8.7408 k = 0.4333 0.3260 0.0000 ( 5525 PWs) bands (ev): -7.7440 -7.7440 -7.4106 -7.4106 -6.9150 -6.9150 -6.9090 -6.9090 -2.1463 -2.1463 -2.0580 -2.0580 -0.7729 -0.7729 -0.6580 -0.6580 -0.4590 -0.4590 -0.1209 -0.1209 0.5854 0.5854 1.4324 1.4324 2.3306 2.3307 2.3585 2.3585 2.6022 2.6022 3.4891 3.4891 3.7705 3.7705 3.8100 3.8100 3.8842 3.8842 4.2631 4.2631 4.3990 4.3990 7.3646 7.3646 8.0910 8.0910 8.1731 8.1731 8.7651 8.7651 k = 0.4500 0.3385 0.0000 ( 5529 PWs) bands (ev): -7.7179 -7.7179 -7.4393 -7.4393 -6.9152 -6.9152 -6.9092 -6.9092 -2.1471 -2.1471 -2.0592 -2.0592 -0.7656 -0.7656 -0.6717 -0.6717 -0.4611 -0.4611 -0.1217 -0.1217 0.6051 0.6051 1.4197 1.4197 2.3445 2.3445 2.3715 2.3715 2.6114 2.6114 3.5007 3.5007 3.7660 3.7660 3.8112 3.8112 3.8815 3.8815 4.2630 4.2630 4.3913 4.3913 7.3503 7.3503 8.0580 8.0580 8.1385 8.1385 8.7742 8.7742 k = 0.4667 0.3511 0.0000 ( 5534 PWs) bands (ev): -7.6951 -7.6951 -7.4640 -7.4640 -6.9154 -6.9154 -6.9093 -6.9093 -2.1476 -2.1476 -2.0601 -2.0601 -0.7587 -0.7587 -0.6833 -0.6833 -0.4626 -0.4626 -0.1223 -0.1223 0.6198 0.6198 1.4101 1.4101 2.3546 2.3546 2.3810 2.3810 2.6176 2.6176 3.5092 3.5092 3.7627 3.7627 3.8117 3.8117 3.8792 3.8792 4.2638 4.2638 4.3862 4.3862 7.3393 7.3393 8.0342 8.0342 8.1135 8.1135 8.7753 8.7753 k = 0.4833 0.3636 0.0000 ( 5534 PWs) bands (ev): -7.6786 -7.6786 -7.4816 -7.4816 -6.9155 -6.9155 -6.9094 -6.9094 -2.1479 -2.1479 -2.0606 -2.0606 -0.7533 -0.7533 -0.6915 -0.6915 -0.4636 -0.4636 -0.1226 -0.1226 0.6289 0.6289 1.4042 1.4042 2.3608 2.3608 2.3868 2.3868 2.6213 2.6213 3.5143 3.5143 3.7605 3.7605 3.8117 3.8117 3.8777 3.8777 4.2647 4.2647 4.3832 4.3832 7.3324 7.3324 8.0198 8.0198 8.0983 8.0983 8.7742 8.7742 k = 0.5000 0.3761 0.0000 ( 5550 PWs) bands (ev): -7.6724 -7.6724 -7.4882 -7.4882 -6.9155 -6.9155 -6.9094 -6.9094 -2.1480 -2.1480 -2.0608 -2.0608 -0.7511 -0.7511 -0.6946 -0.6946 -0.4639 -0.4639 -0.1227 -0.1227 0.6320 0.6320 1.4022 1.4022 2.3629 2.3629 2.3888 2.3888 2.6225 2.6225 3.5160 3.5160 3.7598 3.7598 3.8117 3.8117 3.8771 3.8771 4.2651 4.2651 4.3823 4.3823 7.3300 7.3300 8.0150 8.0150 8.0933 8.0933 8.7736 8.7736 k = 0.5000 0.3761 0.0000 ( 5550 PWs) bands (ev): -7.6724 -7.6724 -7.4882 -7.4882 -6.9155 -6.9155 -6.9094 -6.9094 -2.1480 -2.1480 -2.0608 -2.0608 -0.7511 -0.7511 -0.6946 -0.6946 -0.4639 -0.4639 -0.1227 -0.1227 0.6320 0.6320 1.4022 1.4022 2.3629 2.3629 2.3888 2.3888 2.6225 2.6225 3.5160 3.5160 3.7598 3.7598 3.8117 3.8117 3.8771 3.8771 4.2651 4.2651 4.3823 4.3823 7.3300 7.3300 8.0150 8.0150 8.0933 8.0933 8.7736 8.7736 k = 0.4910 0.3881 0.0149 ( 5540 PWs) bands (ev): -7.6720 -7.6717 -7.4880 -7.4878 -6.9161 -6.9159 -6.9099 -6.9098 -2.1494 -2.1464 -2.0658 -2.0564 -0.7586 -0.7452 -0.7094 -0.6766 -0.4680 -0.4584 -0.1324 -0.1113 0.6295 0.6346 1.3958 1.4018 2.3582 2.3684 2.3880 2.3903 2.6189 2.6255 3.5111 3.5174 3.7309 3.7714 3.8087 3.8159 3.8591 3.9049 4.2539 4.2779 4.3804 4.3843 7.3340 7.3344 8.0116 8.0213 8.0946 8.0952 8.7729 8.7857 k = 0.4821 0.4000 0.0298 ( 5536 PWs) bands (ev): -7.6707 -7.6701 -7.4871 -7.4868 -6.9183 -6.9179 -6.9107 -6.9104 -2.1505 -2.1447 -2.0711 -2.0524 -0.7680 -0.7423 -0.7178 -0.6570 -0.4705 -0.4516 -0.1405 -0.0983 0.6273 0.6374 1.3829 1.3948 2.3534 2.3737 2.3880 2.3941 2.6149 2.6280 3.5031 3.5142 3.6963 3.7548 3.8025 3.8183 3.8670 3.9333 4.2447 4.2894 4.3791 4.3883 7.3461 7.3470 8.0108 8.0303 8.0995 8.1002 8.7838 8.8085 k = 0.4731 0.4119 0.0447 ( 5532 PWs) bands (ev): -7.6684 -7.6675 -7.4856 -7.4851 -6.9229 -6.9222 -6.9111 -6.9105 -2.1514 -2.1428 -2.0768 -2.0489 -0.7791 -0.7441 -0.7176 -0.6372 -0.4709 -0.4438 -0.1470 -0.0835 0.6252 0.6404 1.3640 1.3812 2.3472 2.3755 2.3905 2.4023 2.6107 2.6299 3.4924 3.5050 3.6609 3.7199 3.7938 3.8189 3.8902 3.9607 4.2360 4.2946 4.3800 4.3979 7.3662 7.3675 8.0125 8.0417 8.1074 8.1107 8.8059 8.8409 k = 0.4641 0.4238 0.0596 ( 5536 PWs) bands (ev): -7.6652 -7.6640 -7.4835 -7.4829 -6.9297 -6.9290 -6.9109 -6.9100 -2.1521 -2.1408 -2.0828 -2.0459 -0.7912 -0.7474 -0.7121 -0.6184 -0.4689 -0.4347 -0.1518 -0.0670 0.6235 0.6435 1.3399 1.3618 2.3387 2.3723 2.3968 2.4147 2.6065 2.6312 3.4786 3.4878 3.6282 3.6780 3.7842 3.8177 3.9167 3.9866 4.2254 4.2905 4.3854 4.4158 7.3938 7.3956 8.0166 8.0546 8.1198 8.1276 8.8384 8.8815 k = 0.4552 0.4357 0.0745 ( 5534 PWs) bands (ev): -7.6611 -7.6596 -7.4808 -7.4801 -6.9386 -6.9377 -6.9103 -6.9092 -2.1526 -2.1386 -2.0890 -2.0434 -0.8032 -0.7500 -0.7047 -0.6019 -0.4642 -0.4243 -0.1546 -0.0488 0.6220 0.6467 1.3115 1.3371 2.3279 2.3657 2.4056 2.4299 2.6023 2.6320 3.4569 3.4651 3.5992 3.6365 3.7728 3.8138 3.9433 4.0109 4.2116 4.2789 4.3963 4.4403 7.4284 7.4307 8.0231 8.0679 8.1385 8.1511 8.8800 8.9289 k = 0.4462 0.4476 0.0895 ( 5538 PWs) bands (ev): -7.6560 -7.6542 -7.4776 -7.4767 -6.9493 -6.9484 -6.9095 -6.9081 -2.1528 -2.1364 -2.0953 -2.0414 -0.8144 -0.7514 -0.6964 -0.5884 -0.4570 -0.4123 -0.1553 -0.0288 0.6209 0.6500 1.2795 1.3080 2.3151 2.3564 2.4153 2.4465 2.5985 2.6325 3.4205 3.4428 3.5692 3.6048 3.7589 3.8068 3.9687 4.0326 4.1952 4.2638 4.4127 4.4685 7.4693 7.4721 8.0324 8.0813 8.1648 8.1813 8.9292 8.9813 k = 0.4373 0.4595 0.1044 ( 5544 PWs) bands (ev): -7.6501 -7.6480 -7.4739 -7.4729 -6.9618 -6.9607 -6.9085 -6.9068 -2.1528 -2.1341 -2.1016 -2.0398 -0.8245 -0.7518 -0.6876 -0.5783 -0.4482 -0.3985 -0.1535 -0.0074 0.6202 0.6534 1.2449 1.2753 2.3006 2.3448 2.4248 2.4639 2.5950 2.6330 3.3764 3.4142 3.5369 3.5870 3.7422 3.7963 3.9904 4.0491 4.1792 4.2498 4.4335 4.4983 7.5158 7.5193 8.0448 8.0952 8.1991 8.2182 8.9845 9.0371 k = 0.4283 0.4715 0.1193 ( 5542 PWs) bands (ev): -7.6434 -7.6410 -7.4698 -7.4687 -6.9758 -6.9746 -6.9072 -6.9054 -2.1525 -2.1317 -2.1079 -2.0385 -0.8334 -0.7513 -0.6785 -0.5709 -0.4389 -0.3834 -0.1486 0.0155 0.6200 0.6568 1.2087 1.2400 2.2847 2.3310 2.4330 2.4810 2.5919 2.6337 3.3282 3.3767 3.5099 3.5767 3.7223 3.7819 4.0038 4.0556 4.1702 4.2424 4.4574 4.5284 7.5672 7.5714 8.0604 8.1108 8.2409 8.2615 9.0441 9.0947 k = 0.4193 0.4834 0.1342 ( 5546 PWs) bands (ev): -7.6358 -7.6332 -7.4653 -7.4641 -6.9912 -6.9899 -6.9058 -6.9037 -2.1520 -2.1292 -2.1140 -2.0376 -0.8409 -0.7499 -0.6692 -0.5656 -0.4300 -0.3680 -0.1400 0.0394 0.6203 0.6602 1.1716 1.2027 2.2675 2.3154 2.4389 2.4972 2.5888 2.6350 3.2782 3.3318 3.4908 3.5703 3.6992 3.7637 4.0032 4.0482 4.1748 4.2466 4.4834 4.5583 7.6226 7.6278 8.0795 8.1285 8.2900 8.3108 9.1063 9.1526 k = 0.4104 0.4953 0.1491 ( 5552 PWs) bands (ev): -7.6276 -7.6247 -7.4606 -7.4592 -7.0077 -7.0062 -6.9042 -6.9019 -2.1514 -2.1268 -2.1198 -2.0369 -0.8470 -0.7477 -0.6598 -0.5615 -0.4219 -0.3538 -0.1273 0.0640 0.6211 0.6635 1.1347 1.1645 2.2493 2.2981 2.4418 2.5115 2.5856 2.6372 3.2277 3.2832 3.4780 3.5663 3.6730 3.7419 3.9870 4.0288 4.1930 4.2630 4.5104 4.5874 7.6814 7.6876 8.1021 8.1491 8.3457 8.3658 9.1684 9.2101 k = 0.4014 0.5072 0.1640 ( 5550 PWs) bands (ev): -7.6188 -7.6155 -7.4557 -7.4542 -7.0250 -7.0235 -6.9025 -6.9000 -2.1506 -2.1252 -2.1243 -2.0364 -0.8519 -0.7449 -0.6506 -0.5579 -0.4145 -0.3421 -0.1105 0.0888 0.6227 0.6665 1.0987 1.1262 2.2305 2.2795 2.4412 2.5225 2.5824 2.6402 3.1780 3.2340 3.4698 3.5642 3.6444 3.7169 3.9596 4.0013 4.2203 4.2885 4.5376 4.6154 7.7427 7.7501 8.1281 8.1728 8.4076 8.4259 9.2269 9.2662 k = 0.3924 0.5191 0.1789 ( 5558 PWs) bands (ev): -7.6094 -7.6059 -7.4507 -7.4491 -7.0429 -7.0413 -6.9006 -6.8979 -2.1499 -2.1299 -2.1218 -2.0360 -0.8555 -0.7415 -0.6416 -0.5545 -0.4079 -0.3334 -0.0901 0.1133 0.6248 0.6689 1.0646 1.0889 2.2113 2.2598 2.4373 2.5282 2.5800 2.6434 3.1300 3.1864 3.4652 3.5627 3.6150 3.6895 3.9261 3.9689 4.2525 4.3195 4.5646 4.6422 7.8059 7.8146 8.1575 8.1997 8.4748 8.4907 9.2780 9.3192 k = 0.3835 0.5310 0.1938 ( 5563 PWs) bands (ev): -7.5998 -7.5960 -7.4458 -7.4441 -7.0611 -7.0593 -6.8985 -6.8957 -2.1496 -2.1337 -2.1192 -2.0358 -0.8580 -0.7375 -0.6330 -0.5509 -0.4020 -0.3277 -0.0672 0.1366 0.6276 0.6704 1.0331 1.0542 2.1918 2.2392 2.4302 2.5268 2.5794 2.6461 3.0845 3.1419 3.4632 3.5569 3.5907 3.6606 3.8897 3.9337 4.2870 4.3534 4.5907 4.6675 7.8702 7.8804 8.1902 8.2298 8.5465 8.5594 9.3204 9.3663 k = 0.3745 0.5429 0.2087 ( 5565 PWs) bands (ev): -7.5900 -7.5860 -7.4412 -7.4393 -7.0790 -7.0772 -6.8963 -6.8933 -2.1502 -2.1358 -2.1166 -2.0355 -0.8593 -0.7331 -0.6249 -0.5468 -0.3967 -0.3249 -0.0432 0.1580 0.6307 0.6705 1.0041 1.0244 2.1723 2.2181 2.4199 2.5183 2.5795 2.6476 3.0422 3.1013 3.4623 3.5367 3.5828 3.6313 3.8521 3.8971 4.3223 4.3886 4.6156 4.6913 7.9351 7.9468 8.2260 8.2632 8.6214 8.6311 9.3552 9.4066 k = 0.3656 0.5549 0.2236 ( 5573 PWs) bands (ev): -7.5805 -7.5762 -7.4367 -7.4347 -7.0962 -7.0944 -6.8940 -6.8909 -2.1519 -2.1362 -2.1140 -2.0353 -0.8596 -0.7283 -0.6174 -0.5421 -0.3921 -0.3243 -0.0195 0.1767 0.6335 0.6685 0.9776 1.0024 2.1529 2.1965 2.4067 2.5044 2.5784 2.6474 3.0036 3.0652 3.4574 3.5146 3.5827 3.6043 3.8153 3.8603 4.3571 4.4239 4.6390 4.7135 7.9998 8.0133 8.2649 8.2998 8.6980 8.7051 9.3843 9.4400 k = 0.3566 0.5668 0.2385 ( 5569 PWs) bands (ev): -7.5717 -7.5671 -7.4326 -7.4304 -7.1123 -7.1105 -6.8916 -6.8883 -2.1542 -2.1353 -2.1113 -2.0351 -0.8588 -0.7232 -0.6107 -0.5367 -0.3881 -0.3255 0.0026 0.1919 0.6349 0.6644 0.9549 0.9897 2.1337 2.1746 2.3906 2.4862 2.5748 2.6457 2.9689 3.0332 3.4391 3.5069 3.5692 3.5932 3.7816 3.8244 4.3904 4.4582 4.6604 4.7340 8.0639 8.0791 8.3067 8.3394 8.7735 8.7811 9.4092 9.4666 k = 0.3476 0.5787 0.2535 ( 5571 PWs) bands (ev): -7.5642 -7.5595 -7.4286 -7.4260 -7.1266 -7.1249 -6.8891 -6.8857 -2.1567 -2.1336 -2.1084 -2.0348 -0.8571 -0.7179 -0.6048 -0.5304 -0.3849 -0.3283 0.0220 0.2028 0.6328 0.6588 0.9386 0.9863 2.1148 2.1523 2.3718 2.4647 2.5687 2.6425 2.9380 3.0046 3.4104 3.5122 3.5460 3.5914 3.7547 3.7905 4.4215 4.4905 4.6799 4.7527 8.1266 8.1436 8.3513 8.3820 8.8461 8.8574 9.4310 9.4875 k = 0.3387 0.5906 0.2684 ( 5579 PWs) bands (ev): -7.5590 -7.5541 -7.4242 -7.4213 -7.1387 -7.1371 -6.8865 -6.8829 -2.1589 -2.1315 -2.1054 -2.0345 -0.8545 -0.7125 -0.5995 -0.5235 -0.3824 -0.3321 0.0380 0.2090 0.6256 0.6524 0.9309 0.9917 2.0961 2.1297 2.3505 2.4405 2.5609 2.6386 2.9099 2.9782 3.3787 3.5137 3.5343 3.5830 3.7393 3.7606 4.4497 4.5198 4.6973 4.7696 8.1873 8.2062 8.3987 8.4274 8.9146 8.9312 9.4509 9.5042 k = 0.3297 0.6025 0.2833 ( 5559 PWs) bands (ev): -7.5570 -7.5520 -7.4189 -7.4156 -7.1480 -7.1467 -6.8838 -6.8802 -2.1606 -2.1291 -2.1022 -2.0342 -0.8510 -0.7071 -0.5948 -0.5161 -0.3808 -0.3368 0.0499 0.2102 0.6138 0.6445 0.9330 1.0049 2.0776 2.1066 2.3270 2.4145 2.5527 2.6346 2.8836 2.9526 3.3471 3.4957 3.5474 3.5657 3.7296 3.7443 4.4742 4.5451 4.7128 4.7847 8.2455 8.2662 8.4487 8.4756 8.9775 8.9997 9.4698 9.5183 k = 0.3207 0.6144 0.2982 ( 5551 PWs) bands (ev): -7.5590 -7.5543 -7.4119 -7.4082 -7.1545 -7.1534 -6.8811 -6.8773 -2.1619 -2.1267 -2.0988 -2.0339 -0.8467 -0.7018 -0.5905 -0.5083 -0.3805 -0.3418 0.0576 0.2063 0.5993 0.6343 0.9448 1.0247 2.0592 2.0830 2.3020 2.3873 2.5451 2.6314 2.8579 2.9268 3.3161 3.4745 3.5440 3.5661 3.7122 3.7544 4.4944 4.5653 4.7265 4.7979 8.3004 8.3226 8.5016 8.5265 9.0331 9.0607 9.4881 9.5317 k = 0.3207 0.6144 0.2982 ( 5551 PWs) bands (ev): -7.5590 -7.5543 -7.4119 -7.4082 -7.1545 -7.1534 -6.8811 -6.8773 -2.1619 -2.1267 -2.0988 -2.0339 -0.8467 -0.7018 -0.5905 -0.5083 -0.3805 -0.3418 0.0576 0.2063 0.5993 0.6343 0.9448 1.0247 2.0592 2.0830 2.3020 2.3873 2.5451 2.6314 2.8579 2.9268 3.3161 3.4745 3.5440 3.5661 3.7122 3.7544 4.4944 4.5653 4.7265 4.7979 8.3004 8.3226 8.5016 8.5265 9.0331 9.0607 9.4881 9.5317 k = 0.3019 0.6089 0.3051 ( 5549 PWs) bands (ev): -7.5634 -7.5589 -7.4066 -7.4028 -7.1555 -7.1545 -6.8800 -6.8762 -2.1622 -2.1256 -2.0969 -2.0337 -0.8443 -0.6995 -0.5888 -0.5043 -0.3809 -0.3441 0.0590 0.2016 0.5925 0.6281 0.9552 1.0371 2.0479 2.0685 2.2891 2.3726 2.5447 2.6301 2.8488 2.9159 3.3001 3.4571 3.5418 3.5752 3.7098 3.7625 4.4988 4.5675 4.7359 4.8048 8.3244 8.3473 8.5304 8.5545 9.0568 9.0865 9.4916 9.5335 k = 0.2830 0.6034 0.3120 ( 5551 PWs) bands (ev): -7.5714 -7.5673 -7.3996 -7.3958 -7.1538 -7.1529 -6.8792 -6.8754 -2.1622 -2.1248 -2.0945 -2.0334 -0.8414 -0.6972 -0.5874 -0.4998 -0.3816 -0.3463 0.0578 0.1931 0.5874 0.6217 0.9700 1.0522 2.0315 2.0479 2.2740 2.3542 2.5496 2.6286 2.8446 2.9072 3.2827 3.4335 3.5486 3.5838 3.7152 3.7704 4.4963 4.5596 4.7500 4.8135 8.3475 8.3711 8.5663 8.5898 9.0801 9.1116 9.4873 9.5285 k = 0.2641 0.5978 0.3190 ( 5554 PWs) bands (ev): -7.5815 -7.5777 -7.3927 -7.3889 -7.1491 -7.1482 -6.8789 -6.8751 -2.1618 -2.1243 -2.0916 -2.0329 -0.8380 -0.6950 -0.5863 -0.4951 -0.3827 -0.3484 0.0539 0.1808 0.5852 0.6168 0.9875 1.0690 2.0102 2.0229 2.2561 2.3319 2.5585 2.6276 2.8442 2.9009 3.2671 3.4116 3.5567 3.5930 3.7263 3.7780 4.4879 4.5448 4.7651 4.8221 8.3701 8.3942 8.6091 8.6321 9.1033 9.1359 9.4785 9.5202 k = 0.2453 0.5923 0.3259 ( 5551 PWs) bands (ev): -7.5924 -7.5890 -7.3870 -7.3833 -7.1415 -7.1406 -6.8791 -6.8753 -2.1612 -2.1241 -2.0883 -2.0325 -0.8340 -0.6931 -0.5853 -0.4903 -0.3841 -0.3503 0.0473 0.1650 0.5867 0.6147 1.0064 1.0867 1.9846 1.9960 2.2348 2.3058 2.5697 2.6278 2.8459 2.8977 3.2555 3.3937 3.5621 3.6035 3.7418 3.7857 4.4748 4.5256 4.7785 4.8292 8.3924 8.4165 8.6584 8.6812 9.1263 9.1595 9.4683 9.5114 k = 0.2264 0.5868 0.3328 ( 5549 PWs) bands (ev): -7.6036 -7.6005 -7.3830 -7.3794 -7.1312 -7.1303 -6.8799 -6.8761 -2.1603 -2.1242 -2.0845 -2.0320 -0.8295 -0.6915 -0.5844 -0.4858 -0.3859 -0.3520 0.0383 0.1463 0.5917 0.6158 1.0259 1.1045 1.9554 1.9690 2.2094 2.2764 2.5817 2.6300 2.8481 2.8983 3.2490 3.3805 3.5641 3.6151 3.7604 3.7948 4.4582 4.5034 4.7887 4.8338 8.4145 8.4382 8.7140 8.7364 9.1493 9.1826 9.4589 9.5042 k = 0.2075 0.5812 0.3397 ( 5556 PWs) bands (ev): -7.6146 -7.6117 -7.3807 -7.3773 -7.1187 -7.1178 -6.8812 -6.8774 -2.1591 -2.1245 -2.0805 -2.0315 -0.8244 -0.6904 -0.5833 -0.4819 -0.3878 -0.3535 0.0275 0.1256 0.5999 0.6204 1.0452 1.1218 1.9244 1.9424 2.1799 2.2443 2.5928 2.6348 2.8501 2.9031 3.2480 3.3717 3.5633 3.6259 3.7812 3.8064 4.4387 4.4791 4.7949 4.8351 8.4365 8.4593 8.7753 8.7973 9.1718 9.2047 9.4522 9.5001 k = 0.1887 0.5757 0.3466 ( 5552 PWs) bands (ev): -7.6251 -7.6225 -7.3799 -7.3767 -7.1045 -7.1034 -6.8832 -6.8795 -2.1577 -2.1251 -2.0763 -2.0311 -0.8188 -0.6898 -0.5820 -0.4790 -0.3897 -0.3548 0.0153 0.1037 0.6107 0.6282 1.0640 1.1383 1.8934 1.9168 2.1469 2.2102 2.6021 2.6415 2.8529 2.9115 3.2516 3.3661 3.5615 3.6348 3.8032 3.8219 4.4171 4.4532 4.7968 4.8327 8.4582 8.4798 8.8416 8.8632 9.1935 9.2255 9.4495 9.5002 k = 0.1698 0.5702 0.3536 ( 5552 PWs) bands (ev): -7.6349 -7.6326 -7.3801 -7.3773 -7.0892 -7.0880 -6.8859 -6.8822 -2.1561 -2.1258 -2.0719 -2.0307 -0.8126 -0.6901 -0.5802 -0.4774 -0.3911 -0.3562 0.0026 0.0815 0.6234 0.6386 1.0820 1.1535 1.8634 1.8925 2.1114 2.1750 2.6095 2.6486 2.8579 2.9224 3.2586 3.3623 3.5602 3.6412 3.8255 3.8417 4.3939 4.4263 4.7947 4.8268 8.4795 8.4994 8.9122 8.9331 9.2137 9.2442 9.4519 9.5055 k = 0.1509 0.5646 0.3605 ( 5548 PWs) bands (ev): -7.6439 -7.6418 -7.3812 -7.3786 -7.0732 -7.0718 -6.8893 -6.8857 -2.1544 -2.1268 -2.0675 -2.0306 -0.8058 -0.6913 -0.5777 -0.4775 -0.3918 -0.3575 -0.0100 0.0597 0.6372 0.6509 1.0990 1.1672 1.8354 1.8699 2.0748 2.1395 2.6156 2.6545 2.8664 2.9350 3.2672 3.3587 3.5611 3.6456 3.8484 3.8647 4.3698 4.3987 4.7889 4.8175 8.5000 8.5181 8.9858 9.0061 9.2320 9.2601 9.4600 9.5164 k = 0.1321 0.5591 0.3674 ( 5561 PWs) bands (ev): -7.6519 -7.6502 -7.3826 -7.3804 -7.0570 -7.0554 -6.8935 -6.8900 -2.1526 -2.1279 -2.0632 -2.0305 -0.7985 -0.6935 -0.5745 -0.4794 -0.3917 -0.3589 -0.0219 0.0389 0.6516 0.6644 1.1150 1.1789 1.8099 1.8493 2.0390 2.1046 2.6205 2.6579 2.8789 2.9486 3.2758 3.3537 3.5656 3.6490 3.8721 3.8889 4.3453 4.3711 4.7801 4.8054 8.5195 8.5355 9.0608 9.0803 9.2481 9.2730 9.4741 9.5330 k = 0.1132 0.5536 0.3743 ( 5555 PWs) bands (ev): -7.6590 -7.6575 -7.3843 -7.3824 -7.0410 -7.0392 -6.8985 -6.8951 -2.1507 -2.1291 -2.0589 -2.0308 -0.7906 -0.6968 -0.5705 -0.4831 -0.3906 -0.3605 -0.0326 0.0195 0.6660 0.6781 1.1299 1.1886 1.7876 1.8304 2.0057 2.0709 2.6246 2.6588 2.8949 2.9626 3.2827 3.3464 3.5742 3.6522 3.8962 3.9128 4.3211 4.3439 4.7691 4.7913 8.5376 8.5513 9.1346 9.1532 9.2632 9.2837 9.4938 9.5547 k = 0.0943 0.5481 0.3812 ( 5559 PWs) bands (ev): -7.6651 -7.6638 -7.3860 -7.3844 -7.0254 -7.0235 -6.9043 -6.9010 -2.1487 -2.1304 -2.0548 -2.0312 -0.7823 -0.7013 -0.5655 -0.4885 -0.3888 -0.3622 -0.0415 0.0020 0.6798 0.6911 1.1437 1.1959 1.7690 1.8130 1.9767 2.0394 2.6279 2.6576 2.9135 2.9762 3.2870 3.3368 3.5868 3.6560 3.9197 3.9354 4.2981 4.3180 4.7570 4.7762 8.5538 8.5653 9.2011 9.2177 9.2818 9.2964 9.5182 9.5806 k = 0.0755 0.5425 0.3882 ( 5561 PWs) bands (ev): -7.6701 -7.6690 -7.3876 -7.3863 -7.0105 -7.0085 -6.9108 -6.9076 -2.1467 -2.1319 -2.0510 -2.0320 -0.7737 -0.7069 -0.5596 -0.4952 -0.3863 -0.3642 -0.0484 -0.0135 0.6925 0.7026 1.1564 1.2007 1.7546 1.7965 1.9538 2.0105 2.6308 2.6551 2.9334 2.9884 3.2885 3.3258 3.6020 3.6599 3.9416 3.9555 4.2773 4.2942 4.7451 4.7610 8.5679 8.5770 9.2446 9.2589 9.3126 9.3275 9.5469 9.6093 k = 0.0566 0.5370 0.3951 ( 5562 PWs) bands (ev): -7.6739 -7.6732 -7.3889 -7.3879 -6.9966 -6.9946 -6.9178 -6.9149 -2.1447 -2.1335 -2.0474 -2.0331 -0.7647 -0.7135 -0.5529 -0.5030 -0.3835 -0.3664 -0.0530 -0.0268 0.7036 0.7119 1.1681 1.2030 1.7447 1.7809 1.9380 1.9851 2.6333 2.6518 2.9533 2.9979 3.2880 3.3145 3.6184 3.6633 3.9606 3.9721 4.2599 4.2735 4.7346 4.7470 8.5794 8.5862 9.2616 9.2734 9.3568 9.3746 9.5802 9.6385 k = 0.0377 0.5315 0.4020 ( 5561 PWs) bands (ev): -7.6767 -7.6762 -7.3898 -7.3891 -6.9843 -6.9823 -6.9250 -6.9225 -2.1427 -2.1352 -2.0441 -2.0346 -0.7556 -0.7209 -0.5454 -0.5113 -0.3804 -0.3688 -0.0551 -0.0376 0.7125 0.7184 1.1784 1.2027 1.7398 1.7664 1.9299 1.9637 2.6358 2.6482 2.9717 3.0034 3.2868 3.3041 3.6341 3.6648 3.9758 3.9841 4.2471 4.2569 4.7267 4.7352 8.5882 8.5927 9.2694 9.2774 9.3977 9.4128 9.6168 9.6636 k = 0.0189 0.5259 0.4089 ( 5570 PWs) bands (ev): -7.6783 -7.6780 -7.3903 -7.3900 -6.9745 -6.9732 -6.9311 -6.9295 -2.1407 -2.1369 -2.0412 -2.0364 -0.7465 -0.7290 -0.5373 -0.5200 -0.3773 -0.3715 -0.0546 -0.0459 0.7187 0.7218 1.1874 1.1998 1.7400 1.7540 1.9292 1.9468 2.6385 2.6446 2.9871 3.0036 3.2870 3.2956 3.6475 3.6631 3.9863 3.9907 4.2401 4.2452 4.7224 4.7267 8.5939 8.5962 9.2739 9.2779 9.4258 9.4343 9.6512 9.6778 k = 0.0000 0.5204 0.4159 ( 5570 PWs) bands (ev): -7.6787 -7.6787 -7.3903 -7.3903 -6.9699 -6.9699 -6.9332 -6.9332 -2.1388 -2.1388 -2.0386 -2.0386 -0.7376 -0.7376 -0.5288 -0.5288 -0.3743 -0.3743 -0.0515 -0.0515 0.7219 0.7219 1.1946 1.1946 1.7449 1.7449 1.9350 1.9350 2.6414 2.6414 2.9981 2.9981 3.2898 3.2898 3.6574 3.6574 3.9914 3.9914 4.2395 4.2395 4.7224 4.7224 8.5966 8.5966 9.2767 9.2767 9.4383 9.4383 9.6739 9.6739 k = 0.0000 0.5204 0.4159 ( 5570 PWs) bands (ev): -7.6787 -7.6787 -7.3903 -7.3903 -6.9699 -6.9699 -6.9332 -6.9332 -2.1388 -2.1388 -2.0386 -2.0386 -0.7376 -0.7376 -0.5288 -0.5288 -0.3743 -0.3743 -0.0515 -0.0515 0.7219 0.7219 1.1946 1.1946 1.7449 1.7449 1.9350 1.9350 2.6414 2.6414 2.9981 2.9981 3.2898 3.2898 3.6574 3.6574 3.9914 3.9914 4.2395 4.2395 4.7224 4.7224 8.5966 8.5966 9.2767 9.2767 9.4383 9.4383 9.6739 9.6739 k = 0.0089 0.5085 0.4307 ( 5566 PWs) bands (ev): -7.6784 -7.6781 -7.3901 -7.3900 -6.9706 -6.9704 -6.9336 -6.9333 -2.1399 -2.1374 -2.0401 -2.0369 -0.7420 -0.7324 -0.5336 -0.5235 -0.3783 -0.3705 -0.0578 -0.0483 0.7155 0.7201 1.1841 1.1982 1.7404 1.7553 1.9329 1.9430 2.6368 2.6437 2.9951 3.0034 3.2856 3.2997 3.6554 3.6641 3.9884 3.9969 4.2385 4.2427 4.7203 4.7236 8.5915 8.5936 9.2718 9.2759 9.4255 9.4411 9.6685 9.6844 k = 0.0179 0.4967 0.4456 ( 5562 PWs) bands (ev): -7.6771 -7.6766 -7.3893 -7.3890 -6.9723 -6.9718 -6.9343 -6.9338 -2.1406 -2.1356 -2.0415 -2.0352 -0.7457 -0.7266 -0.5379 -0.5178 -0.3824 -0.3667 -0.0669 -0.0481 0.7012 0.7103 1.1675 1.1941 1.7419 1.7706 1.9369 1.9566 2.6300 2.6440 2.9951 3.0105 3.2877 3.3143 3.6581 3.6753 3.9879 4.0048 4.2398 4.2482 4.7174 4.7241 8.5781 8.5824 9.2618 9.2695 9.4050 9.4319 9.6706 9.6983 k = 0.0268 0.4848 0.4604 ( 5566 PWs) bands (ev): -7.6749 -7.6741 -7.3879 -7.3875 -6.9750 -6.9744 -6.9355 -6.9347 -2.1411 -2.1336 -2.0427 -2.0333 -0.7485 -0.7201 -0.5417 -0.5117 -0.3867 -0.3631 -0.0786 -0.0510 0.6797 0.6930 1.1455 1.1823 1.7489 1.7896 1.9469 1.9755 2.6214 2.6425 2.9990 3.0197 3.2960 3.3326 3.6650 3.6904 3.9897 4.0150 4.2434 4.2562 4.7136 4.7238 8.5569 8.5632 9.2476 9.2584 9.3788 9.4110 9.6811 9.7153 k = 0.0357 0.4729 0.4753 ( 5574 PWs) bands (ev): -7.6717 -7.6708 -7.3859 -7.3854 -6.9788 -6.9780 -6.9371 -6.9361 -2.1411 -2.1314 -2.0438 -2.0314 -0.7506 -0.7130 -0.5449 -0.5051 -0.3911 -0.3597 -0.0924 -0.0567 0.6518 0.6693 1.1188 1.1630 1.7598 1.8107 1.9628 1.9989 2.6117 2.6403 3.0077 3.0317 3.3098 3.3536 3.6755 3.7090 3.9936 4.0274 4.2496 4.2667 4.7090 4.7227 8.5281 8.5364 9.2293 9.2434 9.3493 9.3818 9.6985 9.7352 k = 0.0446 0.4610 0.4901 ( 5564 PWs) bands (ev): -7.6677 -7.6665 -7.3834 -7.3828 -6.9836 -6.9826 -6.9391 -6.9379 -2.1408 -2.1289 -2.0447 -2.0295 -0.7519 -0.7054 -0.5475 -0.4983 -0.3956 -0.3564 -0.1080 -0.0650 0.6187 0.6401 1.0879 1.1368 1.7726 1.8320 1.9845 2.0263 2.6024 2.6383 3.0216 3.0473 3.3280 3.3765 3.6888 3.7301 3.9995 4.0415 4.2584 4.2800 4.7035 4.7208 8.4923 8.5026 9.2067 9.2252 9.3192 9.3492 9.7205 9.7576 k = 0.0536 0.4492 0.5050 ( 5572 PWs) bands (ev): -7.6627 -7.6613 -7.3804 -7.3796 -6.9893 -6.9881 -6.9416 -6.9402 -2.1401 -2.1263 -2.0454 -2.0275 -0.7524 -0.6972 -0.5495 -0.4912 -0.4002 -0.3533 -0.1248 -0.0755 0.5815 0.6065 1.0532 1.1045 1.7853 1.8518 2.0114 2.0571 2.5949 2.6379 3.0406 3.0671 3.3492 3.4008 3.7041 3.7532 4.0072 4.0570 4.2701 4.2961 4.6970 4.7181 8.4501 8.4625 9.1792 9.2033 9.2913 9.3178 9.7449 9.7816 k = 0.0625 0.4373 0.5198 ( 5574 PWs) bands (ev): -7.6569 -7.6552 -7.3768 -7.3759 -6.9959 -6.9945 -6.9445 -6.9429 -2.1391 -2.1234 -2.0459 -2.0257 -0.7520 -0.6887 -0.5508 -0.4840 -0.4047 -0.3504 -0.1423 -0.0880 0.5412 0.5697 1.0150 1.0670 1.7956 1.8681 2.0433 2.0910 2.5910 2.6406 3.0646 3.0915 3.3723 3.4259 3.7206 3.7775 4.0166 4.0735 4.2848 4.3152 4.6895 4.7145 8.4023 8.4168 9.1472 9.1771 9.2671 9.2910 9.7704 9.8067 k = 0.0714 0.4254 0.5347 ( 5566 PWs) bands (ev): -7.6502 -7.6483 -7.3727 -7.3718 -7.0034 -7.0019 -6.9478 -6.9460 -2.1377 -2.1204 -2.0462 -2.0239 -0.7507 -0.6798 -0.5513 -0.4770 -0.4090 -0.3477 -0.1599 -0.1021 0.4987 0.5306 0.9738 1.0252 1.8019 1.8788 2.0796 2.1278 2.5922 2.6475 3.0934 3.1206 3.3960 3.4514 3.7379 3.8023 4.0276 4.0904 4.3024 4.3370 4.6812 4.7102 8.3498 8.3663 9.1125 9.1468 9.2469 9.2694 9.7960 9.8323 k = 0.0804 0.4136 0.5495 ( 5566 PWs) bands (ev): -7.6427 -7.6406 -7.3683 -7.3672 -7.0117 -7.0100 -6.9516 -6.9496 -2.1359 -2.1173 -2.0463 -2.0223 -0.7487 -0.6709 -0.5509 -0.4708 -0.4124 -0.3454 -0.1771 -0.1173 0.4549 0.4901 0.9299 0.9798 1.8031 1.8824 2.1202 2.1675 2.5995 2.6591 3.1265 3.1543 3.4194 3.4767 3.7554 3.8270 4.0401 4.1078 4.3227 4.3613 4.6719 4.7049 8.2934 8.3120 9.0772 9.1140 9.2303 9.2519 9.8213 9.8579 k = 0.0893 0.4017 0.5644 ( 5560 PWs) bands (ev): -7.6343 -7.6320 -7.3634 -7.3622 -7.0207 -7.0189 -6.9558 -6.9536 -2.1337 -2.1141 -2.0463 -2.0208 -0.7458 -0.6620 -0.5495 -0.4662 -0.4142 -0.3435 -0.1932 -0.1332 0.4106 0.4488 0.8838 0.9315 1.7987 1.8782 2.1644 2.2100 2.6132 2.6757 3.1636 3.1922 3.4420 3.5015 3.7731 3.8513 4.0542 4.1254 4.3451 4.3877 4.6617 4.6989 8.2339 8.2544 9.0429 9.0810 9.2161 9.2366 9.8460 9.8836 k = 0.0982 0.3898 0.5792 ( 5554 PWs) bands (ev): -7.6252 -7.6227 -7.3581 -7.3570 -7.0304 -7.0285 -6.9604 -6.9580 -2.1312 -2.1108 -2.0462 -2.0195 -0.7422 -0.6535 -0.5470 -0.4645 -0.4130 -0.3420 -0.2078 -0.1495 0.3662 0.4073 0.8359 0.8810 1.7888 1.8666 2.2117 2.2551 2.6329 2.6969 3.2037 3.2338 3.4634 3.5252 3.7907 3.8748 4.0697 4.1434 4.3688 4.4154 4.6510 4.6920 8.1723 8.1945 9.0109 9.0491 9.2034 9.2226 9.8697 9.9095 k = 0.1071 0.3780 0.5941 ( 5558 PWs) bands (ev): -7.6154 -7.6127 -7.3526 -7.3514 -7.0408 -7.0387 -6.9654 -6.9628 -2.1284 -2.1075 -2.0460 -2.0185 -0.7378 -0.6455 -0.5433 -0.4661 -0.4083 -0.3410 -0.2204 -0.1658 0.3224 0.3662 0.7867 0.8287 1.7741 1.8487 2.2614 2.3023 2.6576 2.7221 3.2458 3.2786 3.4835 3.5477 3.8081 3.8973 4.0866 4.1620 4.3930 4.4437 4.6400 4.6844 8.1091 8.1329 8.9818 9.0194 9.1915 9.2090 9.8920 9.9356 k = 0.1161 0.3661 0.6089 ( 5558 PWs) bands (ev): -7.6048 -7.6020 -7.3469 -7.3456 -7.0516 -7.0495 -6.9708 -6.9679 -2.1253 -2.1041 -2.0457 -2.0178 -0.7329 -0.6382 -0.5384 -0.4703 -0.4007 -0.3406 -0.2307 -0.1817 0.2797 0.3259 0.7364 0.7753 1.7555 1.8259 2.3128 2.3509 2.6863 2.7507 3.2881 3.3253 3.5030 3.5693 3.8253 3.9190 4.1046 4.1815 4.4164 4.4717 4.6293 4.6762 8.0453 8.0704 8.9558 8.9921 9.1801 9.1958 9.9113 9.9621 k = 0.1250 0.3542 0.6238 ( 5548 PWs) bands (ev): -7.5936 -7.5906 -7.3410 -7.3397 -7.0629 -7.0607 -6.9764 -6.9734 -2.1219 -2.1007 -2.0453 -2.0173 -0.7274 -0.6320 -0.5324 -0.4758 -0.3914 -0.3407 -0.2386 -0.1964 0.2383 0.2867 0.6855 0.7211 1.7341 1.7995 2.3649 2.4001 2.7183 2.7822 3.3284 3.3721 3.5230 3.5907 3.8424 3.9399 4.1236 4.2018 4.4375 4.4981 4.6199 4.6678 7.9814 8.0075 8.9330 8.9675 9.1687 9.1830 9.9241 9.9874 k = 0.1339 0.3424 0.6386 ( 5546 PWs) bands (ev): -7.5818 -7.5787 -7.3352 -7.3339 -7.0745 -7.0723 -6.9824 -6.9791 -2.1183 -2.0972 -2.0449 -2.0172 -0.7216 -0.6266 -0.5258 -0.4813 -0.3813 -0.3412 -0.2444 -0.2093 0.1987 0.2489 0.6343 0.6667 1.7108 1.7710 2.4169 2.4491 2.7529 2.8162 3.3642 3.4158 3.5459 3.6130 3.8595 3.9602 4.1430 4.2230 4.4546 4.5217 4.6134 4.6596 7.9182 7.9450 8.9131 8.9452 9.1570 9.1713 9.9258 9.9975 k = 0.1429 0.3305 0.6535 ( 5544 PWs) bands (ev): -7.5695 -7.5663 -7.3295 -7.3281 -7.0862 -7.0840 -6.9886 -6.9851 -2.1145 -2.0938 -2.0445 -2.0174 -0.7158 -0.6221 -0.5198 -0.4853 -0.3716 -0.3416 -0.2485 -0.2189 0.1613 0.2128 0.5830 0.6123 1.6866 1.7415 2.4678 2.4971 2.7895 2.8526 3.3930 3.4519 3.5749 3.6371 3.8774 3.9805 4.1626 4.2450 4.4657 4.5407 4.6117 4.6525 7.8564 7.8834 8.8956 8.9251 9.1450 9.1612 9.9173 9.9853 k = 0.1518 0.3186 0.6683 ( 5544 PWs) bands (ev): -7.5568 -7.5534 -7.3241 -7.3226 -7.0980 -7.0958 -6.9949 -6.9912 -2.1105 -2.0903 -2.0442 -2.0180 -0.7103 -0.6181 -0.5164 -0.4856 -0.3642 -0.3413 -0.2514 -0.2238 0.1263 0.1786 0.5319 0.5583 1.6621 1.7118 2.5168 2.5433 2.8279 2.8913 3.4138 3.4772 3.6109 3.6629 3.8973 4.0012 4.1820 4.2675 4.4696 4.5532 4.6155 4.6477 7.7965 7.8233 8.8801 8.9069 9.1329 9.1527 9.9039 9.9671 k = 0.1607 0.3068 0.6832 ( 5548 PWs) bands (ev): -7.5436 -7.5402 -7.3191 -7.3175 -7.1095 -7.1074 -7.0014 -6.9974 -2.1064 -2.0869 -2.0439 -2.0189 -0.7055 -0.6140 -0.5166 -0.4816 -0.3609 -0.3398 -0.2521 -0.2232 0.0939 0.1464 0.4812 0.5053 1.6382 1.6827 2.5630 2.5870 2.8680 2.9321 3.4269 3.4925 3.6507 3.6882 3.9211 4.0234 4.2010 4.2903 4.4670 4.5588 4.6228 4.6467 7.7392 7.7656 8.8659 8.8904 9.1215 9.1457 9.8903 9.9483 k = 0.1696 0.2949 0.6980 ( 5550 PWs) bands (ev): -7.5302 -7.5268 -7.3149 -7.3131 -7.1205 -7.1186 -7.0078 -7.0037 -2.1022 -2.0835 -2.0437 -2.0202 -0.7017 -0.6094 -0.5186 -0.4750 -0.3619 -0.3384 -0.2481 -0.2179 0.0645 0.1165 0.4310 0.4534 1.6152 1.6548 2.6055 2.6276 2.9094 2.9748 3.4339 3.5006 3.6883 3.7100 3.9506 4.0482 4.2192 4.3129 4.4598 4.5585 4.6300 4.6497 7.6852 7.7107 8.8525 8.8752 9.1114 9.1398 9.8786 9.9311 k = 0.1786 0.2830 0.7129 ( 5554 PWs) bands (ev): -7.5167 -7.5132 -7.3117 -7.3095 -7.1309 -7.1291 -7.0143 -7.0098 -2.0981 -2.0800 -2.0437 -2.0219 -0.6993 -0.6037 -0.5211 -0.4681 -0.3663 -0.3382 -0.2383 -0.2087 0.0382 0.0891 0.3814 0.4033 1.5938 1.6286 2.6439 2.6647 2.9518 3.0190 3.4366 3.5039 3.7168 3.7280 3.9868 4.0770 4.2363 4.3353 4.4503 4.5543 4.6351 4.6543 7.6351 7.6593 8.8399 8.8611 9.1029 9.1347 9.8701 9.9166 k = 0.1875 0.2712 0.7278 ( 5552 PWs) bands (ev): -7.5031 -7.4998 -7.3096 -7.3070 -7.1402 -7.1386 -7.0205 -7.0158 -2.0940 -2.0765 -2.0438 -2.0238 -0.6982 -0.5966 -0.5232 -0.4621 -0.3733 -0.3388 -0.2235 -0.1962 0.0153 0.0642 0.3327 0.3553 1.5743 1.6045 2.6778 2.6980 2.9945 3.0638 3.4363 3.5042 3.7281 3.7462 4.0289 4.1100 4.2521 4.3571 4.4399 4.5479 4.6378 4.6574 7.5894 7.6120 8.8280 8.8480 9.0962 9.1299 9.8652 9.9054 k = 0.1964 0.2593 0.7426 ( 5554 PWs) bands (ev): -7.4898 -7.4866 -7.3090 -7.3059 -7.1482 -7.1469 -7.0264 -7.0215 -2.0902 -2.0730 -2.0440 -2.0261 -0.6984 -0.5882 -0.5247 -0.4578 -0.3820 -0.3392 -0.2049 -0.1807 -0.0042 0.0420 0.2852 0.3097 1.5570 1.5828 2.7071 2.7272 3.0365 3.1083 3.4345 3.5024 3.7289 3.7580 4.0748 4.1464 4.2663 4.3781 4.4297 4.5413 4.6375 4.6571 7.5488 7.5695 8.8171 8.8357 9.0914 9.1253 9.8639 9.8977 k = 0.2054 0.2474 0.7575 ( 5554 PWs) bands (ev): -7.4770 -7.4739 -7.3099 -7.3062 -7.1547 -7.1537 -7.0318 -7.0268 -2.0867 -2.0695 -2.0443 -2.0286 -0.6994 -0.5785 -0.5258 -0.4558 -0.3910 -0.3393 -0.1838 -0.1628 -0.0200 0.0225 0.2393 0.2670 1.5421 1.5638 2.7319 2.7521 3.0767 3.1509 3.4325 3.4992 3.7239 3.7613 4.1221 4.1843 4.2787 4.3974 4.4208 4.5356 4.6340 4.6526 7.5138 7.5322 8.8075 8.8243 9.0883 9.1206 9.8655 9.8930 k = 0.2143 0.2355 0.7723 ( 5562 PWs) bands (ev): -7.4650 -7.4622 -7.3120 -7.3078 -7.1596 -7.1589 -7.0366 -7.0314 -2.0836 -2.0659 -2.0448 -2.0312 -0.7009 -0.5682 -0.5265 -0.4565 -0.3990 -0.3391 -0.1611 -0.1434 -0.0320 0.0060 0.1958 0.2279 1.5300 1.5477 2.7522 2.7727 3.1136 3.1898 3.4315 3.4950 3.7153 3.7579 4.1679 4.2206 4.2894 4.4049 4.4231 4.5323 4.6273 4.6439 7.4847 7.5007 8.7995 8.8140 9.0869 9.1157 9.8694 9.8907 k = 0.2232 0.2237 0.7872 ( 5560 PWs) bands (ev): -7.4544 -7.4521 -7.3150 -7.3103 -7.1631 -7.1626 -7.0406 -7.0353 -2.0811 -2.0624 -2.0455 -2.0339 -0.7024 -0.5577 -0.5268 -0.4602 -0.4051 -0.3389 -0.1382 -0.1241 -0.0397 -0.0075 0.1557 0.1934 1.5207 1.5347 2.7680 2.7889 3.1455 3.2228 3.4331 3.4894 3.7051 3.7505 4.2100 4.2522 4.2981 4.3967 4.4397 4.5324 4.6180 4.6315 7.4619 7.4755 8.7935 8.8052 9.0870 9.1107 9.8743 9.8900 k = 0.2321 0.2118 0.8020 ( 5552 PWs) bands (ev): -7.4458 -7.4440 -7.3182 -7.3131 -7.1653 -7.1650 -7.0437 -7.0381 -2.0793 -2.0590 -2.0464 -2.0362 -0.7037 -0.5481 -0.5268 -0.4659 -0.4088 -0.3386 -0.1172 -0.1069 -0.0426 -0.0179 0.1210 0.1652 1.5143 1.5250 2.7793 2.8006 3.1705 3.2474 3.4386 3.4820 3.6957 3.7419 4.2451 4.2769 4.3050 4.3864 4.4561 4.5366 4.6075 4.6168 7.4457 7.4570 8.7895 8.7980 9.0882 9.1059 9.8794 9.8898 k = 0.2411 0.1999 0.8169 ( 5548 PWs) bands (ev): -7.4399 -7.4390 -7.3206 -7.3153 -7.1665 -7.1663 -7.0455 -7.0399 -2.0781 -2.0562 -2.0475 -2.0379 -0.7045 -0.5411 -0.5264 -0.4714 -0.4107 -0.3384 -0.1026 -0.0944 -0.0411 -0.0247 0.0954 0.1461 1.5106 1.5189 2.7862 2.8076 3.1866 3.2621 3.4482 3.4722 3.6891 3.7352 4.2689 4.2944 4.3089 4.3766 4.4685 4.5436 4.5985 4.6028 7.4360 7.4456 8.7877 8.7931 9.0902 9.1017 9.8836 9.8895 k = 0.2500 0.1881 0.8317 ( 5544 PWs) bands (ev): -7.4376 -7.4374 -7.3216 -7.3162 -7.1669 -7.1667 -7.0462 -7.0406 -2.0777 -2.0549 -2.0481 -2.0386 -0.7048 -0.5385 -0.5260 -0.4737 -0.4113 -0.3384 -0.0978 -0.0893 -0.0395 -0.0270 0.0854 0.1392 1.5095 1.5168 2.7884 2.8100 3.1922 3.2669 3.4583 3.4623 3.6867 3.7326 4.2768 4.3053 4.3068 4.3719 4.4734 4.5479 4.5942 4.5967 7.4328 7.4418 8.7874 8.7911 9.0915 9.0997 9.8856 9.8889 k = 0.2500 0.1881 0.8317 ( 5544 PWs) bands (ev): -7.4376 -7.4374 -7.3216 -7.3162 -7.1669 -7.1667 -7.0462 -7.0406 -2.0777 -2.0549 -2.0481 -2.0386 -0.7048 -0.5385 -0.5260 -0.4737 -0.4113 -0.3384 -0.0978 -0.0893 -0.0395 -0.0270 0.0854 0.1392 1.5095 1.5168 2.7884 2.8100 3.1922 3.2669 3.4583 3.4623 3.6867 3.7326 4.2768 4.3053 4.3068 4.3719 4.4734 4.5479 4.5942 4.5967 7.4328 7.4418 8.7874 8.7911 9.0915 9.0997 9.8856 9.8889 k = 0.2632 0.1980 0.8193 ( 5546 PWs) bands (ev): -7.4384 -7.4379 -7.3213 -7.3159 -7.1667 -7.1666 -7.0460 -7.0404 -2.0778 -2.0554 -2.0479 -2.0384 -0.7044 -0.5411 -0.5247 -0.4731 -0.4111 -0.3387 -0.1285 -0.0696 -0.0548 -0.0018 0.0889 0.1410 1.5118 1.5194 2.7831 2.8042 3.1855 3.2603 3.4558 3.4688 3.6916 3.7359 4.2751 4.3000 4.3096 4.3738 4.4735 4.5475 4.5966 4.5999 7.4315 7.4406 8.7855 8.7898 9.0929 9.1022 9.8847 9.8889 k = 0.2763 0.2079 0.8069 ( 5550 PWs) bands (ev): -7.4402 -7.4392 -7.3206 -7.3154 -7.1663 -7.1661 -7.0454 -7.0399 -2.0781 -2.0567 -2.0474 -2.0377 -0.7033 -0.5471 -0.5234 -0.4706 -0.4106 -0.3396 -0.1638 -0.0950 -0.0261 0.0285 0.0987 0.1456 1.5188 1.5272 2.7677 2.7877 3.1678 3.2425 3.4551 3.4752 3.7063 3.7462 4.2716 4.2909 4.3111 4.3786 4.4742 4.5487 4.6020 4.6081 7.4274 7.4368 8.7803 8.7858 9.0981 9.1095 9.8834 9.8888 k = 0.2895 0.2178 0.7946 ( 5554 PWs) bands (ev): -7.4425 -7.4412 -7.3199 -7.3149 -7.1657 -7.1654 -7.0445 -7.0391 -2.0785 -2.0584 -2.0470 -2.0367 -0.7016 -0.5551 -0.5242 -0.4660 -0.4093 -0.3414 -0.1970 -0.1203 0.0020 0.0571 0.1144 0.1539 1.5303 1.5396 2.7432 2.7620 3.1422 3.2160 3.4554 3.4783 3.7278 3.7623 4.2667 4.2807 4.3106 4.3846 4.4763 4.5533 4.6101 4.6191 7.4205 7.4301 8.7727 8.7791 9.1078 9.1213 9.8826 9.8890 k = 0.3026 0.2277 0.7822 ( 5555 PWs) bands (ev): -7.4451 -7.4435 -7.3193 -7.3147 -7.1648 -7.1646 -7.0435 -7.0383 -2.0792 -2.0605 -2.0471 -2.0354 -0.6994 -0.5650 -0.5268 -0.4604 -0.4068 -0.3446 -0.2259 -0.1421 0.0242 0.0826 0.1347 0.1689 1.5460 1.5563 2.7110 2.7291 3.1107 3.1824 3.4566 3.4792 3.7511 3.7809 4.2590 4.2732 4.3083 4.3903 4.4801 4.5609 4.6212 4.6324 7.4109 7.4205 8.7634 8.7701 9.1222 9.1373 9.8830 9.8902 k = 0.3158 0.2376 0.7698 ( 5558 PWs) bands (ev): -7.4476 -7.4457 -7.3190 -7.3147 -7.1638 -7.1635 -7.0425 -7.0375 -2.0800 -2.0627 -2.0474 -2.0340 -0.6972 -0.5764 -0.5306 -0.4551 -0.4028 -0.3496 -0.2485 -0.1597 0.0398 0.1031 0.1577 0.1938 1.5656 1.5767 2.6730 2.6912 3.0744 3.1429 3.4596 3.4795 3.7721 3.7985 4.2482 4.2694 4.3049 4.3949 4.4853 4.5697 4.6358 4.6480 7.3994 7.4086 8.7532 8.7596 9.1411 9.1573 9.8850 9.8925 k = 0.3289 0.2475 0.7574 ( 5556 PWs) bands (ev): -7.4498 -7.4478 -7.3191 -7.3152 -7.1626 -7.1623 -7.0415 -7.0369 -2.0811 -2.0649 -2.0481 -2.0327 -0.6954 -0.5890 -0.5350 -0.4512 -0.3981 -0.3557 -0.2634 -0.1730 0.0505 0.1166 0.1848 0.2262 1.5888 1.6006 2.6310 2.6501 3.0343 3.0988 3.4648 3.4805 3.7882 3.8121 4.2370 4.2670 4.3013 4.3982 4.4909 4.5775 4.6544 4.6664 7.3865 7.3950 8.7429 8.7483 9.1639 9.1810 9.8885 9.8964 k = 0.3421 0.2574 0.7450 ( 5556 PWs) bands (ev): -7.4516 -7.4495 -7.3197 -7.3161 -7.1613 -7.1610 -7.0408 -7.0364 -2.0825 -2.0673 -2.0489 -2.0316 -0.6948 -0.6017 -0.5398 -0.4491 -0.3958 -0.3598 -0.2704 -0.1817 0.0581 0.1248 0.2157 0.2620 1.6151 1.6275 2.5868 2.6077 2.9913 3.0515 3.4716 3.4824 3.7979 3.8197 4.2267 4.2648 4.2985 4.4005 4.4955 4.5827 4.6766 4.6875 7.3734 7.3809 8.7332 8.7370 9.1900 9.2082 9.8935 9.9017 k = 0.3553 0.2673 0.7326 ( 5561 PWs) bands (ev): -7.4529 -7.4506 -7.3208 -7.3176 -7.1598 -7.1595 -7.0404 -7.0362 -2.0843 -2.0696 -2.0499 -2.0307 -0.6962 -0.6134 -0.5447 -0.4485 -0.3985 -0.3584 -0.2705 -0.1856 0.0640 0.1302 0.2481 0.2988 1.6438 1.6567 2.5420 2.5652 2.9463 3.0022 3.4792 3.4855 3.8009 3.8208 4.2178 4.2623 4.2973 4.4019 4.4982 4.5849 4.7008 4.7106 7.3612 7.3673 8.7243 8.7265 9.2186 9.2384 9.8994 9.9086 k = 0.3684 0.2772 0.7202 ( 5563 PWs) bands (ev): -7.4537 -7.4513 -7.3224 -7.3196 -7.1582 -7.1579 -7.0402 -7.0364 -2.0864 -2.0719 -2.0511 -2.0302 -0.7008 -0.6232 -0.5495 -0.4492 -0.4039 -0.3537 -0.2647 -0.1846 0.0689 0.1343 0.2803 0.3352 1.6745 1.6878 2.4981 2.5238 2.9005 2.9523 3.4858 3.4903 3.7972 3.8153 4.2106 4.2595 4.2976 4.4028 4.4983 4.5841 4.7246 4.7343 7.3510 7.3555 8.7161 8.7180 9.2488 9.2712 9.9058 9.9167 k = 0.3816 0.2871 0.7079 ( 5564 PWs) bands (ev): -7.4537 -7.4512 -7.3247 -7.3223 -7.1565 -7.1561 -7.0404 -7.0369 -2.0889 -2.0741 -2.0522 -2.0300 -0.7086 -0.6308 -0.5537 -0.4509 -0.4082 -0.3491 -0.2538 -0.1783 0.0731 0.1378 0.3111 0.3703 1.7065 1.7202 2.4564 2.4847 2.8549 2.9027 3.4898 3.4976 3.7872 3.8037 4.2052 4.2569 4.2991 4.4032 4.4956 4.5808 4.7461 4.7567 7.3439 7.3470 8.7083 8.7124 9.2798 9.3059 9.9120 9.9255 k = 0.3947 0.2970 0.6955 ( 5570 PWs) bands (ev): -7.4530 -7.4505 -7.3277 -7.3256 -7.1546 -7.1542 -7.0410 -7.0377 -2.0919 -2.0763 -2.0534 -2.0301 -0.7190 -0.6370 -0.5567 -0.4530 -0.4105 -0.3459 -0.2389 -0.1666 0.0771 0.1413 0.3396 0.4032 1.7391 1.7531 2.4179 2.4488 2.8105 2.8547 3.4925 3.5049 3.7716 3.7869 4.2015 4.2550 4.3013 4.4032 4.4902 4.5751 4.7639 4.7760 7.3405 7.3432 8.7023 8.7093 9.3109 9.3416 9.9171 9.9343 k = 0.4079 0.3069 0.6831 ( 5570 PWs) bands (ev): -7.4516 -7.4490 -7.3316 -7.3296 -7.1525 -7.1522 -7.0418 -7.0388 -2.0953 -2.0783 -2.0546 -2.0306 -0.7310 -0.6427 -0.5585 -0.4553 -0.4108 -0.3442 -0.2208 -0.1496 0.0811 0.1450 0.3652 0.4334 1.7715 1.7858 2.3837 2.4167 2.7685 2.8091 3.4940 3.5110 3.7510 3.7658 4.1994 4.2541 4.3036 4.4026 4.4825 4.5674 4.7769 4.7905 7.3414 7.3450 8.6986 8.7085 9.3414 9.3773 9.9201 9.9420 k = 0.4211 0.3167 0.6707 ( 5572 PWs) bands (ev): -7.4494 -7.4468 -7.3363 -7.3344 -7.1503 -7.1500 -7.0429 -7.0401 -2.0991 -2.0803 -2.0558 -2.0314 -0.7435 -0.6483 -0.5591 -0.4572 -0.4097 -0.3435 -0.2000 -0.1279 0.0852 0.1492 0.3872 0.4604 1.8027 1.8174 2.3543 2.3891 2.7297 2.7671 3.4941 3.5155 3.7264 3.7410 4.1987 4.2544 4.3056 4.4010 4.4729 4.5579 4.7843 4.7993 7.3475 7.3525 8.6974 8.7105 9.3705 9.4119 9.9200 9.9473 k = 0.4342 0.3266 0.6583 ( 5560 PWs) bands (ev): -7.4466 -7.4440 -7.3419 -7.3401 -7.1479 -7.1476 -7.0441 -7.0414 -2.1032 -2.0823 -2.0569 -2.0324 -0.7558 -0.6540 -0.5588 -0.4587 -0.4076 -0.3436 -0.1765 -0.1023 0.0898 0.1543 0.4054 0.4837 1.8320 1.8469 2.3304 2.3662 2.6954 2.7296 3.4924 3.5178 3.6989 3.7134 4.1992 4.2559 4.3070 4.3974 4.4623 4.5470 4.7860 4.8020 7.3592 7.3657 8.6990 8.7152 9.3972 9.4441 9.9155 9.9489 k = 0.4474 0.3365 0.6459 ( 5564 PWs) bands (ev): -7.4431 -7.4405 -7.3485 -7.3466 -7.1453 -7.1450 -7.0453 -7.0426 -2.1074 -2.0843 -2.0580 -2.0335 -0.7675 -0.6597 -0.5580 -0.4597 -0.4050 -0.3440 -0.1504 -0.0742 0.0951 0.1607 0.4192 0.5031 1.8583 1.8733 2.3123 2.3485 2.6663 2.6979 3.4884 3.5173 3.6697 3.6838 4.2003 4.2584 4.3074 4.3906 4.4520 4.5350 4.7823 4.7988 7.3762 7.3841 8.7034 8.7228 9.4207 9.4725 9.9061 9.9458 k = 0.4605 0.3464 0.6335 ( 5567 PWs) bands (ev): -7.4392 -7.4365 -7.3559 -7.3539 -7.1425 -7.1422 -7.0463 -7.0437 -2.1118 -2.0862 -2.0592 -2.0346 -0.7784 -0.6651 -0.5571 -0.4604 -0.4022 -0.3447 -0.1219 -0.0448 0.1016 0.1690 0.4288 0.5185 1.8807 1.8957 2.2997 2.3358 2.6435 2.6731 3.4813 3.5130 3.6406 3.6532 4.2012 4.2610 4.3070 4.3797 4.4428 4.5222 4.7741 4.7908 7.3981 7.4070 8.7108 8.7333 9.4396 9.4955 9.8915 9.9378 k = 0.4737 0.3563 0.6211 ( 5571 PWs) bands (ev): -7.4352 -7.4325 -7.3639 -7.3618 -7.1395 -7.1392 -7.0472 -7.0446 -2.1161 -2.0882 -2.0604 -2.0357 -0.7882 -0.6702 -0.5561 -0.4609 -0.3992 -0.3454 -0.0919 -0.0156 0.1100 0.1803 0.4341 0.5300 1.8984 1.9134 2.2921 2.3282 2.6275 2.6563 3.4700 3.5035 3.6138 3.6233 4.2009 4.2624 4.3064 4.3649 4.4345 4.5088 4.7627 4.7793 7.4239 7.4335 8.7210 8.7465 9.4525 9.5112 9.8719 9.9254 k = 0.4868 0.3662 0.6088 ( 5565 PWs) bands (ev): -7.4319 -7.4292 -7.3717 -7.3696 -7.1362 -7.1359 -7.0477 -7.0450 -2.1204 -2.0901 -2.0618 -2.0365 -0.7970 -0.6747 -0.5552 -0.4612 -0.3963 -0.3462 -0.0617 0.0117 0.1212 0.1957 0.4358 0.5379 1.9108 1.9259 2.2887 2.3253 2.6188 2.6478 3.4531 3.4869 3.5915 3.5961 4.1978 4.2602 4.3065 4.3485 4.4256 4.4951 4.7502 4.7663 7.4526 7.4625 8.7337 8.7622 9.4575 9.5175 9.8477 9.9095 k = 0.5000 0.3761 0.5964 ( 5562 PWs) bands (ev): -7.4309 -7.4283 -7.3777 -7.3759 -7.1327 -7.1324 -7.0477 -7.0449 -2.1245 -2.0921 -2.0633 -2.0372 -0.8047 -0.6788 -0.5544 -0.4616 -0.3934 -0.3469 -0.0338 0.0358 0.1363 0.2164 0.4346 0.5427 1.9179 1.9335 2.2885 2.3264 2.6177 2.6478 3.4295 3.4625 3.5718 3.5764 4.1900 4.2524 4.3044 4.3363 4.4143 4.4817 4.7384 4.7539 7.4830 7.4928 8.7485 8.7799 9.4528 9.5123 9.8183 9.8886 k = 0.5000 0.3761 0.5964 ( 5562 PWs) bands (ev): -7.4309 -7.4283 -7.3777 -7.3759 -7.1327 -7.1324 -7.0477 -7.0449 -2.1245 -2.0921 -2.0633 -2.0372 -0.8047 -0.6788 -0.5544 -0.4616 -0.3934 -0.3469 -0.0338 0.0358 0.1363 0.2164 0.4346 0.5427 1.9179 1.9335 2.2885 2.3264 2.6177 2.6478 3.4295 3.4625 3.5718 3.5764 4.1900 4.2524 4.3044 4.3363 4.4143 4.4817 4.7384 4.7539 7.4830 7.4928 8.7485 8.7799 9.4528 9.5123 9.8183 9.8886 k = 0.5000 0.3761 0.5758 ( 5570 PWs) bands (ev): -7.4334 -7.4312 -7.3843 -7.3831 -7.1264 -7.1259 -7.0472 -7.0442 -2.1308 -2.0953 -2.0661 -2.0379 -0.8160 -0.6852 -0.5529 -0.4632 -0.3890 -0.3480 0.0082 0.0716 0.1678 0.2558 0.4320 0.5486 1.9261 1.9429 2.2904 2.3315 2.6218 2.6543 3.3830 3.4156 3.5400 3.5542 4.1720 4.2333 4.2943 4.3245 4.3942 4.4608 4.7196 4.7344 7.5342 7.5434 8.7728 8.8088 9.4322 9.4892 9.7592 9.8407 k = 0.5000 0.3761 0.5552 ( 5566 PWs) bands (ev): -7.4382 -7.4362 -7.3898 -7.3889 -7.1195 -7.1188 -7.0461 -7.0430 -2.1366 -2.0987 -2.0693 -2.0385 -0.8260 -0.6917 -0.5510 -0.4664 -0.3851 -0.3489 0.0471 0.1050 0.2046 0.2942 0.4334 0.5546 1.9356 1.9540 2.2927 2.3372 2.6258 2.6607 3.3350 3.3680 3.5118 3.5337 4.1534 4.2135 4.2832 4.3121 4.3761 4.4411 4.6992 4.7141 7.5844 7.5931 8.7929 8.8337 9.4044 9.4600 9.6908 9.7813 k = 0.5000 0.3761 0.5347 ( 5574 PWs) bands (ev): -7.4457 -7.4434 -7.3944 -7.3928 -7.1121 -7.1113 -7.0445 -7.0412 -2.1417 -2.1022 -2.0726 -2.0389 -0.8347 -0.6983 -0.5489 -0.4711 -0.3822 -0.3493 0.0815 0.1350 0.2471 0.3271 0.4429 0.5612 1.9467 1.9669 2.2956 2.3435 2.6295 2.6668 3.2873 3.3204 3.4874 3.5147 4.1345 4.1931 4.2713 4.2992 4.3600 4.4228 4.6775 4.6936 7.6328 7.6409 8.8075 8.8524 9.3706 9.4268 9.6155 9.7103 k = 0.5000 0.3761 0.5141 ( 5566 PWs) bands (ev): -7.4553 -7.4525 -7.3979 -7.3956 -7.1042 -7.1032 -7.0422 -7.0388 -2.1461 -2.1058 -2.0761 -2.0392 -0.8424 -0.7049 -0.5467 -0.4770 -0.3804 -0.3489 0.1107 0.1602 0.2938 0.3513 0.4645 0.5691 1.9596 1.9819 2.2991 2.3505 2.6327 2.6726 3.2413 3.2735 3.4665 3.4975 4.1152 4.1724 4.2585 4.2859 4.3457 4.4057 4.6549 4.6730 7.6783 7.6858 8.8151 8.8629 9.3313 9.3897 9.5356 9.6280 k = 0.5000 0.3761 0.4935 ( 5556 PWs) bands (ev): -7.4663 -7.4631 -7.4008 -7.3980 -7.0959 -7.0947 -7.0392 -7.0357 -2.1497 -2.1094 -2.0797 -2.0394 -0.8489 -0.7114 -0.5447 -0.4838 -0.3799 -0.3476 0.1348 0.1783 0.3391 0.3745 0.4950 0.5800 1.9745 1.9994 2.3031 2.3582 2.6353 2.6778 3.1982 3.2283 3.4488 3.4824 4.0957 4.1517 4.2449 4.2723 4.3332 4.3898 4.6318 4.6526 7.7200 7.7268 8.8145 8.8636 9.2854 9.3461 9.4541 9.5412 k = 0.5000 0.3761 0.4730 ( 5562 PWs) bands (ev): -7.4782 -7.4747 -7.4034 -7.4003 -7.0871 -7.0859 -7.0355 -7.0320 -2.1526 -2.1132 -2.0832 -2.0394 -0.8544 -0.7178 -0.5430 -0.4916 -0.3808 -0.3453 0.1538 0.1871 0.3694 0.4160 0.5254 0.5975 1.9916 2.0196 2.3078 2.3667 2.6370 2.6825 3.1588 3.1856 3.4342 3.4695 4.0762 4.1311 4.2308 4.2585 4.3224 4.3750 4.6088 4.6324 7.7568 7.7630 8.8054 8.8533 9.2305 9.2900 9.3769 9.4587 k = 0.5000 0.3761 0.4524 ( 5558 PWs) bands (ev): -7.4907 -7.4870 -7.4062 -7.4030 -7.0780 -7.0767 -7.0310 -7.0275 -2.1547 -2.1169 -2.0867 -2.0394 -0.8589 -0.7240 -0.5416 -0.5000 -0.3827 -0.3426 0.1669 0.1868 0.3931 0.4701 0.5479 0.6257 2.0108 2.0427 2.3132 2.3760 2.6377 2.6864 3.1238 3.1466 3.4225 3.4591 4.0567 4.1107 4.2162 4.2445 4.3132 4.3611 4.5860 4.6127 7.7878 7.7935 8.7874 8.8321 9.1639 9.2164 9.3107 9.3863 k = 0.5000 0.3761 0.4319 ( 5550 PWs) bands (ev): -7.5035 -7.4997 -7.4092 -7.4060 -7.0686 -7.0671 -7.0259 -7.0224 -2.1560 -2.1206 -2.0900 -2.0393 -0.8624 -0.7300 -0.5407 -0.5089 -0.3854 -0.3396 0.1676 0.1849 0.4190 0.5271 0.5630 0.6626 2.0322 2.0686 2.3192 2.3861 2.6372 2.6896 3.0939 3.1123 3.4134 3.4512 4.0374 4.0907 4.2012 4.2303 4.3056 4.3482 4.5639 4.5935 7.8121 7.8175 8.7606 8.8007 9.0862 9.1303 9.2551 9.3252 k = 0.5000 0.3761 0.4113 ( 5554 PWs) bands (ev): -7.5164 -7.5126 -7.4127 -7.4095 -7.0589 -7.0574 -7.0201 -7.0167 -2.1565 -2.1243 -2.0933 -2.0392 -0.8651 -0.7357 -0.5406 -0.5180 -0.3887 -0.3367 0.1522 0.1875 0.4469 0.5717 0.5875 0.7034 2.0557 2.0972 2.3259 2.3970 2.6351 2.6919 3.0691 3.0841 3.4067 3.4459 4.0183 4.0711 4.1860 4.2161 4.2995 4.3361 4.5426 4.5750 7.8290 7.8343 8.7254 8.7603 9.0008 9.0398 9.2082 9.2739 k = 0.5000 0.3761 0.3907 ( 5560 PWs) bands (ev): -7.5293 -7.5254 -7.4165 -7.4135 -7.0489 -7.0474 -7.0138 -7.0104 -2.1562 -2.1278 -2.0965 -2.0389 -0.8669 -0.7412 -0.5421 -0.5265 -0.3925 -0.3340 0.1298 0.1874 0.4752 0.5829 0.6443 0.7457 2.0808 2.1279 2.3333 2.4087 2.6314 2.6931 3.0489 3.0643 3.4024 3.4432 3.9996 4.0520 4.1708 4.2018 4.2950 4.3248 4.5225 4.5572 7.8382 7.8435 8.6821 8.7119 8.9124 8.9495 9.1698 9.2312 k = 0.5000 0.3761 0.3702 ( 5558 PWs) bands (ev): -7.5420 -7.5382 -7.4208 -7.4179 -7.0388 -7.0372 -7.0070 -7.0037 -2.1553 -2.1311 -2.0996 -2.0387 -0.8679 -0.7464 -0.5470 -0.5322 -0.3967 -0.3317 0.1034 0.1833 0.5022 0.5926 0.7016 0.7888 2.1070 2.1601 2.3413 2.4209 2.6259 2.6931 3.0338 3.0541 3.4002 3.4429 3.9813 4.0334 4.1555 4.1876 4.2918 4.3142 4.5036 4.5403 7.8395 7.8450 8.6313 8.6569 8.8246 8.8620 9.1402 9.1965 k = 0.5000 0.3761 0.3496 ( 5556 PWs) bands (ev): -7.5545 -7.5508 -7.4254 -7.4227 -7.0286 -7.0270 -6.9998 -6.9967 -2.1536 -2.1342 -2.1026 -2.0383 -0.8680 -0.7511 -0.5559 -0.5349 -0.4012 -0.3301 0.0744 0.1753 0.5266 0.6023 0.7580 0.8325 2.1337 2.1926 2.3499 2.4335 2.6187 2.6918 3.0253 3.0533 3.4000 3.4449 3.9635 4.0152 4.1402 4.1734 4.2900 4.3044 4.4862 4.5243 7.8334 7.8389 8.5742 8.5964 8.7400 8.7786 9.1189 9.1693 k = 0.5000 0.3761 0.3290 ( 5552 PWs) bands (ev): -7.5667 -7.5631 -7.4304 -7.4278 -7.0183 -7.0167 -6.9924 -6.9895 -2.1515 -2.1370 -2.1055 -2.0380 -0.8673 -0.7555 -0.5665 -0.5366 -0.4061 -0.3292 0.0439 0.1636 0.5476 0.6120 0.8132 0.8772 2.1603 2.2243 2.3590 2.4461 2.6101 2.6889 3.0251 3.0616 3.4016 3.4489 3.9463 3.9975 4.1249 4.1591 4.2890 4.2956 4.4703 4.5091 7.8203 7.8253 8.5125 8.5322 8.6605 8.7000 9.1047 9.1487 k = 0.5000 0.3761 0.3085 ( 5552 PWs) bands (ev): -7.5785 -7.5749 -7.4355 -7.4331 -7.0081 -7.0065 -6.9848 -6.9821 -2.1491 -2.1391 -2.1082 -2.0377 -0.8657 -0.7594 -0.5779 -0.5381 -0.4113 -0.3294 0.0128 0.1488 0.5648 0.6214 0.8670 0.9229 2.1859 2.2537 2.3685 2.4582 2.6005 2.6847 3.0341 3.0790 3.4050 3.4549 3.9297 3.9802 4.1096 4.1449 4.2848 4.2920 4.4560 4.4948 7.8008 7.8050 8.4480 8.4668 8.5867 8.6265 9.0962 9.1336 k = 0.5000 0.3761 0.2879 ( 5548 PWs) bands (ev): -7.5898 -7.5864 -7.4408 -7.4385 -6.9981 -6.9964 -6.9772 -6.9747 -2.1473 -2.1400 -2.1108 -2.0375 -0.8633 -0.7628 -0.5897 -0.5399 -0.4169 -0.3309 -0.0179 0.1316 0.5783 0.6301 0.9193 0.9696 2.2101 2.2799 2.3782 2.4691 2.5907 2.6793 3.0527 3.1050 3.4101 3.4624 3.9137 3.9635 4.0943 4.1306 4.2773 4.2935 4.4434 4.4813 7.7756 7.7786 8.3825 8.4030 8.5188 8.5577 9.0917 9.1226 k = 0.5000 0.3761 0.2673 ( 5550 PWs) bands (ev): -7.6006 -7.5973 -7.4461 -7.4440 -6.9882 -6.9865 -6.9696 -6.9673 -2.1472 -2.1385 -2.1130 -2.0373 -0.8599 -0.7657 -0.6018 -0.5421 -0.4228 -0.3341 -0.0472 0.1124 0.5888 0.6376 0.9702 1.0169 2.2323 2.3021 2.3876 2.4776 2.5816 2.6730 3.0805 3.1392 3.4169 3.4714 3.8986 3.9472 4.0789 4.1162 4.2699 4.2964 4.4324 4.4685 7.7454 7.7468 8.3184 8.3431 8.4562 8.4936 9.0895 9.1143 k = 0.5000 0.3761 0.2468 ( 5544 PWs) bands (ev): -7.6107 -7.6077 -7.4514 -7.4495 -6.9786 -6.9769 -6.9622 -6.9601 -2.1483 -2.1356 -2.1147 -2.0372 -0.8556 -0.7681 -0.6140 -0.5448 -0.4290 -0.3393 -0.0743 0.0918 0.5968 0.6434 1.0198 1.0642 2.2525 2.3203 2.3960 2.4825 2.5747 2.6664 3.1169 3.1807 3.4253 3.4816 3.8842 3.9315 4.0633 4.1018 4.2630 4.3003 4.4229 4.4562 7.7101 7.7110 8.2582 8.2886 8.3983 8.4340 9.0880 9.1074 k = 0.5000 0.3761 0.2262 ( 5540 PWs) bands (ev): -7.6203 -7.6174 -7.4565 -7.4548 -6.9694 -6.9677 -6.9550 -6.9531 -2.1496 -2.1329 -2.1152 -2.0373 -0.8504 -0.7697 -0.6263 -0.5482 -0.4354 -0.3470 -0.0979 0.0705 0.6030 0.6476 1.0680 1.1107 2.2704 2.3348 2.4027 2.4823 2.5714 2.6599 3.1604 3.2281 3.4353 3.4929 3.8706 3.9163 4.0474 4.0871 4.2567 4.3048 4.4149 4.4444 7.6703 7.6724 8.2038 8.2403 8.3451 8.3787 9.0850 9.1006 k = 0.5000 0.3761 0.2056 ( 5540 PWs) bands (ev): -7.6291 -7.6264 -7.4615 -7.4600 -6.9607 -6.9590 -6.9481 -6.9465 -2.1507 -2.1315 -2.1138 -2.0376 -0.8441 -0.7707 -0.6385 -0.5526 -0.4421 -0.3571 -0.1175 0.0487 0.6079 0.6501 1.1147 1.1557 2.2863 2.3465 2.4073 2.4769 2.5721 2.6539 3.2095 3.2796 3.4474 3.5054 3.8579 3.9016 4.0312 4.0723 4.2510 4.3096 4.4082 4.4329 7.6279 7.6310 8.1565 8.1985 8.2965 8.3280 9.0760 9.0926 k = 0.5000 0.3761 0.1851 ( 5528 PWs) bands (ev): -7.6372 -7.6348 -7.4662 -7.4648 -6.9526 -6.9509 -6.9416 -6.9402 -2.1516 -2.1318 -2.1103 -2.0381 -0.8368 -0.7710 -0.6506 -0.5583 -0.4488 -0.3694 -0.1325 0.0271 0.6117 0.6511 1.1596 1.1988 2.3001 2.3557 2.4094 2.4672 2.5758 2.6485 3.2621 3.3327 3.4622 3.5192 3.8461 3.8875 4.0144 4.0572 4.2459 4.3145 4.4027 4.4216 7.5841 7.5877 8.1168 8.1630 8.2527 8.2818 9.0530 9.0807 k = 0.5000 0.3761 0.1645 ( 5532 PWs) bands (ev): -7.6446 -7.6423 -7.4706 -7.4694 -6.9451 -6.9435 -6.9355 -6.9343 -2.1522 -2.1331 -2.1055 -2.0390 -0.8284 -0.7704 -0.6624 -0.5658 -0.4554 -0.3831 -0.1431 0.0059 0.6147 0.6509 1.2024 1.2393 2.3122 2.3631 2.4093 2.4551 2.5812 2.6440 3.3160 3.3832 3.4817 3.5355 3.8354 3.8741 3.9969 4.0418 4.2416 4.3189 4.3982 4.4106 7.5404 7.5437 8.0845 8.1334 8.2140 8.2403 9.0132 9.0570 k = 0.5000 0.3761 0.1440 ( 5532 PWs) bands (ev): -7.6511 -7.6491 -7.4745 -7.4735 -6.9384 -6.9368 -6.9299 -6.9290 -2.1526 -2.1349 -2.0999 -2.0402 -0.8190 -0.7689 -0.6739 -0.5757 -0.4613 -0.3973 -0.1497 -0.0146 0.6172 0.6497 1.2424 1.2766 2.3226 2.3689 2.4073 2.4417 2.5874 2.6403 3.3684 3.4250 3.5087 3.5565 3.8257 3.8615 3.9785 4.0259 4.2382 4.3222 4.3942 4.4007 7.4979 7.5007 8.0593 8.1088 8.1806 8.2038 8.9651 9.0176 k = 0.5000 0.3761 0.1234 ( 5532 PWs) bands (ev): -7.6568 -7.6551 -7.4781 -7.4772 -6.9324 -6.9310 -6.9249 -6.9241 -2.1527 -2.1370 -2.0941 -2.0417 -0.8087 -0.7664 -0.6850 -0.5881 -0.4662 -0.4109 -0.1527 -0.0341 0.6194 0.6478 1.2793 1.3101 2.3314 2.3734 2.4038 2.4282 2.5936 2.6373 3.4155 3.4547 3.5416 3.5878 3.8173 3.8497 3.9591 4.0094 4.2359 4.3233 4.3887 4.3940 7.4580 7.4599 8.0405 8.0882 8.1531 8.1724 8.9167 8.9700 k = 0.5000 0.3761 0.1028 ( 5536 PWs) bands (ev): -7.6616 -7.6602 -7.4812 -7.4804 -6.9274 -6.9261 -6.9204 -6.9198 -2.1525 -2.1390 -2.0881 -2.0437 -0.7977 -0.7627 -0.6955 -0.6031 -0.4697 -0.4233 -0.1529 -0.0524 0.6214 0.6455 1.3125 1.3393 2.3388 2.3765 2.3997 2.4154 2.5996 2.6348 3.4524 3.4767 3.5755 3.6310 3.8103 3.8389 3.9383 3.9920 4.2351 4.3210 4.3826 4.3910 7.4217 7.4229 8.0271 8.0705 8.1315 8.1463 8.8721 8.9217 k = 0.5000 0.3761 0.0823 ( 5540 PWs) bands (ev): -7.6656 -7.6644 -7.4837 -7.4831 -6.9232 -6.9221 -6.9166 -6.9162 -2.1521 -2.1410 -2.0821 -2.0462 -0.7864 -0.7574 -0.7050 -0.6203 -0.4717 -0.4343 -0.1506 -0.0694 0.6233 0.6428 1.3413 1.3635 2.3450 2.3783 2.3953 2.4043 2.6052 2.6326 3.4766 3.4946 3.6128 3.6791 3.8049 3.8292 3.9162 3.9731 4.2362 4.3143 4.3790 4.3890 7.3901 7.3910 8.0182 8.0549 8.1158 8.1258 8.8337 8.8770 k = 0.5000 0.3761 0.0617 ( 5530 PWs) bands (ev): -7.6686 -7.6678 -7.4857 -7.4853 -6.9199 -6.9191 -6.9136 -6.9133 -2.1514 -2.1430 -2.0764 -2.0491 -0.7758 -0.7508 -0.7127 -0.6390 -0.4719 -0.4437 -0.1463 -0.0849 0.6253 0.6401 1.3651 1.3824 2.3500 2.3778 2.3910 2.3965 2.6103 2.6304 3.4922 3.5076 3.6533 3.7253 3.8016 3.8209 3.8931 3.9524 4.2396 4.3038 4.3781 4.3873 7.3644 7.3651 8.0131 8.0413 8.1050 8.1107 8.8036 8.8382 k = 0.5000 0.3761 0.0411 ( 5538 PWs) bands (ev): -7.6708 -7.6702 -7.4871 -7.4869 -6.9175 -6.9170 -6.9113 -6.9112 -2.1505 -2.1448 -2.0708 -2.0525 -0.7664 -0.7451 -0.7156 -0.6582 -0.4707 -0.4518 -0.1401 -0.0990 0.6273 0.6373 1.3835 1.3953 2.3543 2.3739 2.3884 2.3924 2.6149 2.6281 3.5033 3.5149 3.6939 3.7617 3.8027 3.8147 3.8711 3.9293 4.2456 4.2911 4.3789 4.3857 7.3453 7.3460 8.0110 8.0299 8.0981 8.1007 8.7829 8.8071 k = 0.5000 0.3761 0.0206 ( 5538 PWs) bands (ev): -7.6720 -7.6717 -7.4880 -7.4878 -6.9161 -6.9158 -6.9099 -6.9099 -2.1493 -2.1465 -2.0656 -2.0565 -0.7583 -0.7456 -0.7089 -0.6771 -0.4680 -0.4585 -0.1322 -0.1116 0.6296 0.6346 1.3960 1.4019 2.3584 2.3682 2.3881 2.3901 2.6190 2.6255 3.5112 3.5174 3.7309 3.7731 3.8096 3.8132 3.8607 3.9036 4.2541 4.2777 4.3805 4.3841 7.3338 7.3342 8.0116 8.0211 8.0943 8.0952 8.7728 8.7853 k = 0.5000 0.3761 0.0000 ( 5550 PWs) bands (ev): -7.6724 -7.6724 -7.4882 -7.4882 -6.9155 -6.9155 -6.9094 -6.9094 -2.1480 -2.1480 -2.0608 -2.0608 -0.7511 -0.7511 -0.6946 -0.6946 -0.4639 -0.4639 -0.1227 -0.1227 0.6320 0.6320 1.4022 1.4022 2.3629 2.3629 2.3888 2.3888 2.6225 2.6225 3.5160 3.5160 3.7598 3.7598 3.8117 3.8117 3.8771 3.8771 4.2651 4.2651 4.3823 4.3823 7.3300 7.3300 8.0150 8.0150 8.0933 8.0933 8.7736 8.7736 k = 0.0000 0.0000 0.8317 ( 5568 PWs) bands (ev): -7.4398 -7.4398 -7.3193 -7.3193 -7.1639 -7.1639 -7.0428 -7.0428 -2.0637 -2.0637 -2.0439 -2.0439 -0.6017 -0.6017 -0.5638 -0.5638 -0.4418 -0.4418 -0.2794 -0.2794 -0.0025 -0.0025 0.4817 0.4817 1.8858 1.8858 2.2918 2.2918 2.5929 2.5929 3.7007 3.7007 3.8622 3.8622 4.3312 4.3312 4.3888 4.3888 4.7184 4.7184 4.7923 4.7923 7.1082 7.1082 8.5314 8.5314 9.2960 9.2960 9.8325 9.8325 k = 0.0167 0.0125 0.8317 ( 5562 PWs) bands (ev): -7.4398 -7.4397 -7.3196 -7.3191 -7.1640 -7.1640 -7.0431 -7.0425 -2.0650 -2.0623 -2.0443 -2.0436 -0.6121 -0.5949 -0.5640 -0.5574 -0.4454 -0.4384 -0.2818 -0.2768 -0.0053 0.0024 0.4761 0.4793 1.8790 1.8804 2.2948 2.2979 2.5961 2.6061 3.6990 3.6994 3.8613 3.8618 4.3306 4.3311 4.3871 4.3900 4.7153 4.7168 4.7895 4.7899 7.1114 7.1121 8.5337 8.5342 9.2942 9.2946 9.8331 9.8332 k = 0.0333 0.0251 0.8317 ( 5572 PWs) bands (ev): -7.4397 -7.4397 -7.3199 -7.3188 -7.1641 -7.1640 -7.0434 -7.0422 -2.0665 -2.0611 -2.0446 -2.0432 -0.6238 -0.5916 -0.5602 -0.5446 -0.4490 -0.4352 -0.2841 -0.2738 -0.0059 0.0092 0.4626 0.4689 1.8609 1.8638 2.3074 2.3124 2.6152 2.6341 3.6943 3.6953 3.8591 3.8602 4.3293 4.3304 4.3846 4.3904 4.7074 4.7108 4.7817 4.7826 7.1213 7.1229 8.5411 8.5421 9.2891 9.2899 9.8348 9.8351 k = 0.0500 0.0376 0.8317 ( 5564 PWs) bands (ev): -7.4396 -7.4395 -7.3201 -7.3185 -7.1642 -7.1642 -7.0437 -7.0420 -2.0679 -2.0599 -2.0450 -2.0428 -0.6354 -0.5898 -0.5539 -0.5281 -0.4524 -0.4321 -0.2863 -0.2701 -0.0045 0.0179 0.4418 0.4510 1.8336 1.8380 2.3296 2.3349 2.6479 2.6741 3.6867 3.6882 3.8556 3.8573 4.3271 4.3291 4.3813 4.3903 4.6952 4.7005 4.7695 4.7707 7.1377 7.1400 8.5533 8.5548 9.2807 9.2821 9.8376 9.8381 k = 0.0667 0.0502 0.8317 ( 5568 PWs) bands (ev): -7.4395 -7.4394 -7.3204 -7.3182 -7.1644 -7.1644 -7.0440 -7.0418 -2.0692 -2.0589 -2.0453 -2.0424 -0.6464 -0.5879 -0.5459 -0.5099 -0.4550 -0.4293 -0.2883 -0.2654 -0.0013 0.0280 0.4144 0.4265 1.7999 1.8056 2.3607 2.3648 2.6911 2.7233 3.6761 3.6780 3.8504 3.8530 4.3242 4.3273 4.3772 4.3896 4.6788 4.6868 4.7534 4.7551 7.1597 7.1629 8.5698 8.5719 9.2692 9.2710 9.8414 9.8422 k = 0.0833 0.0627 0.8317 ( 5566 PWs) bands (ev): -7.4393 -7.4392 -7.3206 -7.3179 -7.1647 -7.1646 -7.0443 -7.0415 -2.0706 -2.0580 -2.0457 -2.0420 -0.6565 -0.5854 -0.5368 -0.4932 -0.4543 -0.4266 -0.2899 -0.2593 0.0036 0.0393 0.3813 0.3962 1.7625 1.7693 2.3993 2.4015 2.7418 2.7788 3.6622 3.6647 3.8436 3.8471 4.3204 4.3252 4.3721 4.3885 4.6590 4.6703 4.7345 4.7367 7.1865 7.1904 8.5901 8.5927 9.2546 9.2570 9.8460 9.8470 k = 0.1000 0.0752 0.8317 ( 5560 PWs) bands (ev): -7.4391 -7.4389 -7.3208 -7.3176 -7.1650 -7.1649 -7.0446 -7.0413 -2.0718 -2.0572 -2.0460 -2.0416 -0.6657 -0.5823 -0.5270 -0.4845 -0.4443 -0.4241 -0.2907 -0.2512 0.0096 0.0513 0.3437 0.3611 1.7237 1.7312 2.4438 2.4440 2.7973 2.8387 3.6452 3.6482 3.8346 3.8395 4.3159 4.3228 4.3661 4.3868 4.6365 4.6520 4.7139 4.7166 7.2169 7.2215 8.6135 8.6166 9.2373 9.2402 9.8512 9.8525 k = 0.1167 0.0878 0.8317 ( 5560 PWs) bands (ev): -7.4389 -7.4387 -7.3209 -7.3173 -7.1653 -7.1652 -7.0449 -7.0412 -2.0730 -2.0566 -2.0464 -2.0411 -0.6740 -0.5785 -0.5171 -0.4847 -0.4247 -0.4217 -0.2902 -0.2407 0.0163 0.0636 0.3026 0.3225 1.6851 1.6931 2.4904 2.4932 2.8556 2.9011 3.6250 3.6285 3.8232 3.8300 4.3107 4.3202 4.3590 4.3848 4.6121 4.6330 4.6927 4.6958 7.2497 7.2550 8.6389 8.6424 9.2178 9.2212 9.8568 9.8584 k = 0.1333 0.1003 0.8317 ( 5564 PWs) bands (ev): -7.4386 -7.4385 -7.3211 -7.3171 -7.1656 -7.1655 -7.0452 -7.0410 -2.0740 -2.0561 -2.0467 -2.0406 -0.6812 -0.5741 -0.5075 -0.4885 -0.4195 -0.4017 -0.2872 -0.2272 0.0231 0.0757 0.2591 0.2813 1.6482 1.6565 2.5399 2.5453 2.9147 2.9645 3.6020 3.6059 3.8092 3.8185 4.3051 4.3176 4.3510 4.3825 4.5869 4.6144 4.6719 4.6753 7.2834 7.2895 8.6655 8.6694 9.1967 9.2007 9.8625 9.8644 k = 0.1500 0.1128 0.8317 ( 5578 PWs) bands (ev): -7.4384 -7.4382 -7.3212 -7.3169 -7.1659 -7.1657 -7.0454 -7.0409 -2.0750 -2.0557 -2.0471 -2.0401 -0.6875 -0.5692 -0.4987 -0.4936 -0.4174 -0.3796 -0.2797 -0.2103 0.0292 0.0867 0.2145 0.2387 1.6142 1.6224 2.5904 2.5986 2.9730 3.0272 3.5765 3.5808 3.7924 3.8052 4.2992 4.3151 4.3423 4.3801 4.5618 4.5971 4.6524 4.6561 7.3168 7.3235 8.6921 8.6962 9.1748 9.1795 9.8680 9.8703 k = 0.1667 0.1254 0.8317 ( 5566 PWs) bands (ev): -7.4382 -7.4380 -7.3213 -7.3167 -7.1661 -7.1660 -7.0457 -7.0408 -2.0758 -2.0554 -2.0474 -2.0397 -0.6928 -0.5639 -0.4994 -0.4911 -0.4156 -0.3617 -0.2651 -0.1897 0.0331 0.0955 0.1705 0.1966 1.5838 1.5919 2.6400 2.6510 3.0289 3.0878 3.5496 3.5539 3.7728 3.7902 4.2934 4.3128 4.3333 4.3777 4.5381 4.5820 4.6352 4.6388 7.3483 7.3556 8.7175 8.7218 9.1533 9.1587 9.8731 9.8756 k = 0.1833 0.1379 0.8317 ( 5552 PWs) bands (ev): -7.4380 -7.4378 -7.3214 -7.3165 -7.1664 -7.1662 -7.0458 -7.0407 -2.0765 -2.0552 -2.0476 -2.0393 -0.6971 -0.5583 -0.5054 -0.4847 -0.4141 -0.3500 -0.2417 -0.1653 0.0317 0.0977 0.1308 0.1593 1.5579 1.5658 2.6866 2.7005 3.0803 3.1441 3.5227 3.5266 3.7511 3.7743 4.2880 4.3107 4.3246 4.3755 4.5167 4.5695 4.6206 4.6241 7.3765 7.3844 8.7405 8.7448 9.1334 9.1395 9.8774 9.8802 k = 0.2000 0.1505 0.8317 ( 5552 PWs) bands (ev): -7.4379 -7.4376 -7.3215 -7.3163 -7.1666 -7.1664 -7.0460 -7.0406 -2.0770 -2.0550 -2.0478 -2.0390 -0.7005 -0.5524 -0.5116 -0.4799 -0.4129 -0.3436 -0.2108 -0.1372 0.0179 0.0810 0.1024 0.1395 1.5371 1.5448 2.7276 2.7442 3.1252 3.1936 3.4982 3.5008 3.7286 3.7588 4.2834 4.3091 4.3168 4.3739 4.4987 4.5599 4.6091 4.6123 7.4001 7.4084 8.7600 8.7642 9.1161 9.1230 9.8809 9.8840 k = 0.2167 0.1630 0.8317 ( 5544 PWs) bands (ev): -7.4377 -7.4375 -7.3215 -7.3162 -7.1667 -7.1666 -7.0461 -7.0406 -2.0774 -2.0550 -2.0480 -2.0387 -0.7029 -0.5466 -0.5177 -0.4764 -0.4120 -0.3403 -0.1747 -0.1057 -0.0122 0.0458 0.0898 0.1372 1.5219 1.5294 2.7601 2.7792 3.1608 3.2329 3.4786 3.4788 3.7078 3.7453 4.2798 4.3078 4.3106 4.3727 4.4849 4.5532 4.6009 4.6037 7.4180 7.4266 8.7749 8.7788 9.1028 9.1104 9.8835 9.8867 k = 0.2333 0.1755 0.8317 ( 5540 PWs) bands (ev): -7.4377 -7.4374 -7.3216 -7.3162 -7.1668 -7.1667 -7.0462 -7.0406 -2.0776 -2.0549 -2.0481 -2.0386 -0.7044 -0.5413 -0.5232 -0.4744 -0.4114 -0.3388 -0.1352 -0.0711 -0.0515 0.0065 0.0861 0.1386 1.5126 1.5199 2.7811 2.8020 3.1840 3.2582 3.4637 3.4663 3.6925 3.7360 4.2776 4.3067 4.3071 4.3721 4.4763 4.5492 4.5959 4.5985 7.4291 7.4379 8.7842 8.7880 9.0944 9.1024 9.8851 9.8883 k = 0.2500 0.1881 0.8317 ( 5544 PWs) bands (ev): -7.4376 -7.4374 -7.3216 -7.3162 -7.1669 -7.1667 -7.0462 -7.0406 -2.0777 -2.0549 -2.0481 -2.0386 -0.7048 -0.5385 -0.5260 -0.4737 -0.4113 -0.3384 -0.0978 -0.0893 -0.0395 -0.0270 0.0854 0.1392 1.5095 1.5168 2.7884 2.8100 3.1922 3.2669 3.4583 3.4623 3.6867 3.7326 4.2768 4.3053 4.3068 4.3719 4.4734 4.5479 4.5942 4.5967 7.4328 7.4418 8.7874 8.7911 9.0915 9.0997 9.8856 9.8889 Writing output data file Al2HgSe4.save init_run : 5.20s CPU 12.22s WALL ( 1 calls) electrons : 1079.06s CPU 1088.12s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.57s CPU 1.60s WALL ( 1 calls) Called by electrons: c_bands : 1079.02s CPU 1087.67s WALL ( 1 calls) v_of_rho : 0.17s CPU 0.97s WALL ( 1 calls) v_h : 0.02s CPU 0.03s WALL ( 1 calls) v_xc : 0.15s CPU 0.69s WALL ( 1 calls) newd : 0.67s CPU 0.70s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.08s WALL ( 277 calls) cegterg : 1026.90s CPU 1032.59s WALL ( 645 calls) Called by sum_band: Called by *egterg: h_psi : 634.31s CPU 643.12s WALL ( 12058 calls) s_psi : 33.23s CPU 33.52s WALL ( 12058 calls) g_psi : 1.11s CPU 1.15s WALL ( 11136 calls) cdiaghg : 251.17s CPU 248.52s WALL ( 11413 calls) cegterg:over : 71.62s CPU 68.93s WALL ( 11136 calls) cegterg:upda : 18.14s CPU 21.52s WALL ( 11136 calls) cegterg:last : 15.87s CPU 16.80s WALL ( 2322 calls) Called by h_psi: h_psi:vloc : 562.03s CPU 568.86s WALL ( 12058 calls) h_psi:vnl : 71.83s CPU 73.19s WALL ( 12058 calls) add_vuspsi : 25.59s CPU 28.79s WALL ( 12058 calls) General routines calbec : 46.19s CPU 44.24s WALL ( 12058 calls) fft : 0.58s CPU 1.45s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 520.78s CPU 522.38s WALL ( 1433360 calls) interpolate : 0.16s CPU 0.17s WALL ( 4 calls) davcio : 0.04s CPU 1.92s WALL ( 554 calls) Parallel routines fft_scatter : 305.16s CPU 306.69s WALL ( 1433383 calls) PWSCF : 18m52.55s CPU 21m 5.74s WALL This run was terminated on: 3:50:46 23Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=