Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 20:33:58 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./B6As.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 68 36 10 2412 916 141 Max 69 37 11 2416 936 144 Sum 2471 1311 379 86917 33439 5141 bravais-lattice index = 14 lattice parameter (alat) = 10.0853 a.u. unit-cell volume = 878.8106 (a.u.)^3 number of atoms/cell = 14 number of atomic types = 2 number of electrons = 46.00 number of Kohn-Sham states= 56 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.085285 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.338414 celldm(5)= 0.338414 celldm(6)= 0.338414 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.338414 0.940997 0.000000 ) a(3) = ( 0.338414 0.237928 0.910421 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.359633 -0.277725 ) b(2) = ( 0.000000 1.062702 -0.277725 ) b(3) = ( 0.000000 0.000000 1.098393 ) PseudoPot. # 1 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) B 3.00 10.81100 B( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 251 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039841 k( 2) = ( 0.0151515 -0.0054490 -0.0042080), wk = 0.0039841 k( 3) = ( 0.0303030 -0.0108980 -0.0084159), wk = 0.0039841 k( 4) = ( 0.0454546 -0.0163470 -0.0126239), wk = 0.0039841 k( 5) = ( 0.0606061 -0.0217959 -0.0168318), wk = 0.0039841 k( 6) = ( 0.0757576 -0.0272449 -0.0210398), wk = 0.0039841 k( 7) = ( 0.0909091 -0.0326939 -0.0252477), wk = 0.0039841 k( 8) = ( 0.1060606 -0.0381429 -0.0294557), wk = 0.0039841 k( 9) = ( 0.1212121 -0.0435919 -0.0336637), wk = 0.0039841 k( 10) = ( 0.1363636 -0.0490408 -0.0378716), wk = 0.0039841 k( 11) = ( 0.1515151 -0.0544898 -0.0420796), wk = 0.0039841 k( 12) = ( 0.1666667 -0.0599388 -0.0462875), wk = 0.0039841 k( 13) = ( 0.1818182 -0.0653878 -0.0504955), wk = 0.0039841 k( 14) = ( 0.1969697 -0.0708368 -0.0547034), wk = 0.0039841 k( 15) = ( 0.2121212 -0.0762858 -0.0589114), wk = 0.0039841 k( 16) = ( 0.2272727 -0.0817347 -0.0631194), wk = 0.0039841 k( 17) = ( 0.2424242 -0.0871837 -0.0673273), wk = 0.0039841 k( 18) = ( 0.2575758 -0.0926327 -0.0715353), wk = 0.0039841 k( 19) = ( 0.2727273 -0.0980817 -0.0757432), wk = 0.0039841 k( 20) = ( 0.2878788 -0.1035307 -0.0799512), wk = 0.0039841 k( 21) = ( 0.3030303 -0.1089797 -0.0841591), wk = 0.0039841 k( 22) = ( 0.3181818 -0.1144286 -0.0883671), wk = 0.0039841 k( 23) = ( 0.3333333 -0.1198776 -0.0925751), wk = 0.0039841 k( 24) = ( 0.3484849 -0.1253266 -0.0967830), wk = 0.0039841 k( 25) = ( 0.3636364 -0.1307756 -0.1009910), wk = 0.0039841 k( 26) = ( 0.3787879 -0.1362246 -0.1051989), wk = 0.0039841 k( 27) = ( 0.3939394 -0.1416736 -0.1094069), wk = 0.0039841 k( 28) = ( 0.4090909 -0.1471225 -0.1136148), wk = 0.0039841 k( 29) = ( 0.4242424 -0.1525715 -0.1178228), wk = 0.0039841 k( 30) = ( 0.4393939 -0.1580205 -0.1220308), wk = 0.0039841 k( 31) = ( 0.4545455 -0.1634695 -0.1262387), wk = 0.0039841 k( 32) = ( 0.4696970 -0.1689185 -0.1304467), wk = 0.0039841 k( 33) = ( 0.4848485 -0.1743675 -0.1346546), wk = 0.0039841 k( 34) = ( 0.5000000 -0.1798164 -0.1388626), wk = 0.0039841 k( 35) = ( 0.5000000 -0.1798164 -0.1388626), wk = 0.0039841 k( 36) = ( 0.5000000 -0.1695945 -0.1520992), wk = 0.0039841 k( 37) = ( 0.5000000 -0.1593726 -0.1653357), wk = 0.0039841 k( 38) = ( 0.5000000 -0.1491507 -0.1785723), wk = 0.0039841 k( 39) = ( 0.5000000 -0.1389288 -0.1918089), wk = 0.0039841 k( 40) = ( 0.5000000 -0.1287070 -0.2050455), wk = 0.0039841 k( 41) = ( 0.5000000 -0.1184851 -0.2182820), wk = 0.0039841 k( 42) = ( 0.5000000 -0.1082632 -0.2315186), wk = 0.0039841 k( 43) = ( 0.5000000 -0.0980413 -0.2447552), wk = 0.0039841 k( 44) = ( 0.5000000 -0.0878194 -0.2579918), wk = 0.0039841 k( 45) = ( 0.5000000 -0.0775975 -0.2712284), wk = 0.0039841 k( 46) = ( 0.5000000 -0.0673756 -0.2844649), wk = 0.0039841 k( 47) = ( 0.5000000 -0.0571537 -0.2977015), wk = 0.0039841 k( 48) = ( 0.5000000 -0.0469318 -0.3109381), wk = 0.0039841 k( 49) = ( 0.5000000 -0.0367099 -0.3241747), wk = 0.0039841 k( 50) = ( 0.5000000 -0.0264880 -0.3374112), wk = 0.0039841 k( 51) = ( 0.5000000 -0.0162661 -0.3506478), wk = 0.0039841 k( 52) = ( 0.5000000 -0.0060442 -0.3638844), wk = 0.0039841 k( 53) = ( 0.5000000 0.0041777 -0.3771210), wk = 0.0039841 k( 54) = ( 0.5000000 0.0143996 -0.3903576), wk = 0.0039841 k( 55) = ( 0.5000000 0.0246215 -0.4035941), wk = 0.0039841 k( 56) = ( 0.5000000 0.0348434 -0.4168307), wk = 0.0039841 k( 57) = ( 0.5000000 0.0450653 -0.4300673), wk = 0.0039841 k( 58) = ( 0.5000000 0.0552872 -0.4433039), wk = 0.0039841 k( 59) = ( 0.5000000 0.0655091 -0.4565404), wk = 0.0039841 k( 60) = ( 0.5000000 0.0757310 -0.4697770), wk = 0.0039841 k( 61) = ( 0.5000000 0.0859529 -0.4830136), wk = 0.0039841 k( 62) = ( 0.5000000 0.0961748 -0.4962502), wk = 0.0039841 k( 63) = ( 0.5000000 0.1063967 -0.5094867), wk = 0.0039841 k( 64) = ( 0.5000000 0.1166186 -0.5227233), wk = 0.0039841 k( 65) = ( 0.5000000 0.1268405 -0.5359599), wk = 0.0039841 k( 66) = ( 0.5000000 0.1370624 -0.5491965), wk = 0.0039841 k( 67) = ( 0.7018178 0.2789543 -0.0062538), wk = 0.0039841 k( 68) = ( 0.6922074 0.2824105 0.0069712), wk = 0.0039841 k( 69) = ( 0.6825971 0.2858667 0.0201962), wk = 0.0039841 k( 70) = ( 0.6729867 0.2893229 0.0334212), wk = 0.0039841 k( 71) = ( 0.6633763 0.2927791 0.0466462), wk = 0.0039841 k( 72) = ( 0.6537660 0.2962353 0.0598712), wk = 0.0039841 k( 73) = ( 0.6441556 0.2996915 0.0730962), wk = 0.0039841 k( 74) = ( 0.6345452 0.3031477 0.0863212), wk = 0.0039841 k( 75) = ( 0.6249348 0.3066039 0.0995462), wk = 0.0039841 k( 76) = ( 0.6153245 0.3100602 0.1127712), wk = 0.0039841 k( 77) = ( 0.6057141 0.3135164 0.1259962), wk = 0.0039841 k( 78) = ( 0.5961037 0.3169726 0.1392212), wk = 0.0039841 k( 79) = ( 0.5864934 0.3204288 0.1524462), wk = 0.0039841 k( 80) = ( 0.5768830 0.3238850 0.1656713), wk = 0.0039841 k( 81) = ( 0.5672726 0.3273412 0.1788963), wk = 0.0039841 k( 82) = ( 0.5576622 0.3307974 0.1921213), wk = 0.0039841 k( 83) = ( 0.5480519 0.3342536 0.2053463), wk = 0.0039841 k( 84) = ( 0.5384415 0.3377098 0.2185713), wk = 0.0039841 k( 85) = ( 0.5288311 0.3411660 0.2317963), wk = 0.0039841 k( 86) = ( 0.5192208 0.3446222 0.2450213), wk = 0.0039841 k( 87) = ( 0.5096104 0.3480784 0.2582463), wk = 0.0039841 k( 88) = ( 0.5000000 0.3515346 0.2714713), wk = 0.0039841 k( 89) = ( 0.5000000 0.3515346 0.2714713), wk = 0.0039841 k( 90) = ( 0.4875000 0.3427463 0.2646845), wk = 0.0039841 k( 91) = ( 0.4750000 0.3339579 0.2578977), wk = 0.0039841 k( 92) = ( 0.4625000 0.3251695 0.2511110), wk = 0.0039841 k( 93) = ( 0.4500000 0.3163812 0.2443242), wk = 0.0039841 k( 94) = ( 0.4375000 0.3075928 0.2375374), wk = 0.0039841 k( 95) = ( 0.4250000 0.2988044 0.2307506), wk = 0.0039841 k( 96) = ( 0.4125000 0.2900161 0.2239638), wk = 0.0039841 k( 97) = ( 0.4000000 0.2812277 0.2171770), wk = 0.0039841 k( 98) = ( 0.3875000 0.2724393 0.2103903), wk = 0.0039841 k( 99) = ( 0.3750000 0.2636510 0.2036035), wk = 0.0039841 k( 100) = ( 0.3625000 0.2548626 0.1968167), wk = 0.0039841 k( 101) = ( 0.3500000 0.2460742 0.1900299), wk = 0.0039841 k( 102) = ( 0.3375000 0.2372859 0.1832431), wk = 0.0039841 k( 103) = ( 0.3250000 0.2284975 0.1764564), wk = 0.0039841 k( 104) = ( 0.3125000 0.2197091 0.1696696), wk = 0.0039841 k( 105) = ( 0.3000000 0.2109208 0.1628828), wk = 0.0039841 k( 106) = ( 0.2875000 0.2021324 0.1560960), wk = 0.0039841 k( 107) = ( 0.2750000 0.1933440 0.1493092), wk = 0.0039841 k( 108) = ( 0.2625000 0.1845557 0.1425224), wk = 0.0039841 k( 109) = ( 0.2500000 0.1757673 0.1357357), wk = 0.0039841 k( 110) = ( 0.2375000 0.1669789 0.1289489), wk = 0.0039841 k( 111) = ( 0.2250000 0.1581906 0.1221621), wk = 0.0039841 k( 112) = ( 0.2125000 0.1494022 0.1153753), wk = 0.0039841 k( 113) = ( 0.2000000 0.1406138 0.1085885), wk = 0.0039841 k( 114) = ( 0.1875000 0.1318255 0.1018017), wk = 0.0039841 k( 115) = ( 0.1750000 0.1230371 0.0950150), wk = 0.0039841 k( 116) = ( 0.1625000 0.1142488 0.0882282), wk = 0.0039841 k( 117) = ( 0.1500000 0.1054604 0.0814414), wk = 0.0039841 k( 118) = ( 0.1375000 0.0966720 0.0746546), wk = 0.0039841 k( 119) = ( 0.1250000 0.0878837 0.0678678), wk = 0.0039841 k( 120) = ( 0.1125000 0.0790953 0.0610810), wk = 0.0039841 k( 121) = ( 0.1000000 0.0703069 0.0542943), wk = 0.0039841 k( 122) = ( 0.0875000 0.0615186 0.0475075), wk = 0.0039841 k( 123) = ( 0.0750000 0.0527302 0.0407207), wk = 0.0039841 k( 124) = ( 0.0625000 0.0439418 0.0339339), wk = 0.0039841 k( 125) = ( 0.0500000 0.0351535 0.0271471), wk = 0.0039841 k( 126) = ( 0.0375000 0.0263651 0.0203603), wk = 0.0039841 k( 127) = ( 0.0250000 0.0175767 0.0135736), wk = 0.0039841 k( 128) = ( 0.0125000 0.0087884 0.0067868), wk = 0.0039841 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039841 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039841 k( 131) = ( 0.0097339 -0.0035006 -0.0133950), wk = 0.0039841 k( 132) = ( 0.0194679 -0.0070013 -0.0267901), wk = 0.0039841 k( 133) = ( 0.0292018 -0.0105019 -0.0401851), wk = 0.0039841 k( 134) = ( 0.0389357 -0.0140026 -0.0535801), wk = 0.0039841 k( 135) = ( 0.0486696 -0.0175032 -0.0669752), wk = 0.0039841 k( 136) = ( 0.0584036 -0.0210038 -0.0803702), wk = 0.0039841 k( 137) = ( 0.0681375 -0.0245045 -0.0937652), wk = 0.0039841 k( 138) = ( 0.0778714 -0.0280051 -0.1071603), wk = 0.0039841 k( 139) = ( 0.0876054 -0.0315058 -0.1205553), wk = 0.0039841 k( 140) = ( 0.0973393 -0.0350064 -0.1339504), wk = 0.0039841 k( 141) = ( 0.1070732 -0.0385071 -0.1473454), wk = 0.0039841 k( 142) = ( 0.1168071 -0.0420077 -0.1607404), wk = 0.0039841 k( 143) = ( 0.1265411 -0.0455083 -0.1741355), wk = 0.0039841 k( 144) = ( 0.1362750 -0.0490090 -0.1875305), wk = 0.0039841 k( 145) = ( 0.1460089 -0.0525096 -0.2009255), wk = 0.0039841 k( 146) = ( 0.1557429 -0.0560103 -0.2143206), wk = 0.0039841 k( 147) = ( 0.1654768 -0.0595109 -0.2277156), wk = 0.0039841 k( 148) = ( 0.1752107 -0.0630115 -0.2411106), wk = 0.0039841 k( 149) = ( 0.1849446 -0.0665122 -0.2545057), wk = 0.0039841 k( 150) = ( 0.1946786 -0.0700128 -0.2679007), wk = 0.0039841 k( 151) = ( 0.2044125 -0.0735135 -0.2812958), wk = 0.0039841 k( 152) = ( 0.2141464 -0.0770141 -0.2946908), wk = 0.0039841 k( 153) = ( 0.2238804 -0.0805147 -0.3080858), wk = 0.0039841 k( 154) = ( 0.2336143 -0.0840154 -0.3214809), wk = 0.0039841 k( 155) = ( 0.2433482 -0.0875160 -0.3348759), wk = 0.0039841 k( 156) = ( 0.2530822 -0.0910167 -0.3482709), wk = 0.0039841 k( 157) = ( 0.2628161 -0.0945173 -0.3616660), wk = 0.0039841 k( 158) = ( 0.2725500 -0.0980179 -0.3750610), wk = 0.0039841 k( 159) = ( 0.2822839 -0.1015186 -0.3884560), wk = 0.0039841 k( 160) = ( 0.2920179 -0.1050192 -0.4018511), wk = 0.0039841 k( 161) = ( 0.3017518 -0.1085199 -0.4152461), wk = 0.0039841 k( 162) = ( 0.3114857 -0.1120205 -0.4286412), wk = 0.0039841 k( 163) = ( 0.3212197 -0.1155212 -0.4420362), wk = 0.0039841 k( 164) = ( 0.3309536 -0.1190218 -0.4554312), wk = 0.0039841 k( 165) = ( 0.3406875 -0.1225224 -0.4688263), wk = 0.0039841 k( 166) = ( 0.3504214 -0.1260231 -0.4822213), wk = 0.0039841 k( 167) = ( 0.3601554 -0.1295237 -0.4956163), wk = 0.0039841 k( 168) = ( 0.3698893 -0.1330244 -0.5090114), wk = 0.0039841 k( 169) = ( 0.3796232 -0.1365250 -0.5224064), wk = 0.0039841 k( 170) = ( 0.3893572 -0.1400256 -0.5358014), wk = 0.0039841 k( 171) = ( 0.3990911 -0.1435263 -0.5491965), wk = 0.0039841 k( 172) = ( 0.6009089 0.2080083 -0.2777252), wk = 0.0039841 k( 173) = ( 0.5917354 0.2210562 -0.2777252), wk = 0.0039841 k( 174) = ( 0.5825618 0.2341040 -0.2777252), wk = 0.0039841 k( 175) = ( 0.5733883 0.2471519 -0.2777252), wk = 0.0039841 k( 176) = ( 0.5642148 0.2601997 -0.2777252), wk = 0.0039841 k( 177) = ( 0.5550412 0.2732476 -0.2777252), wk = 0.0039841 k( 178) = ( 0.5458677 0.2862954 -0.2777252), wk = 0.0039841 k( 179) = ( 0.5366941 0.2993432 -0.2777252), wk = 0.0039841 k( 180) = ( 0.5275206 0.3123911 -0.2777252), wk = 0.0039841 k( 181) = ( 0.5183471 0.3254389 -0.2777252), wk = 0.0039841 k( 182) = ( 0.5091735 0.3384868 -0.2777252), wk = 0.0039841 k( 183) = ( 0.5000000 0.3515346 -0.2777252), wk = 0.0039841 k( 184) = ( 0.5000000 0.3515346 -0.2777252), wk = 0.0039841 k( 185) = ( 0.5056061 0.3554761 -0.2626434), wk = 0.0039841 k( 186) = ( 0.5112121 0.3594175 -0.2475617), wk = 0.0039841 k( 187) = ( 0.5168181 0.3633589 -0.2324799), wk = 0.0039841 k( 188) = ( 0.5224242 0.3673004 -0.2173982), wk = 0.0039841 k( 189) = ( 0.5280303 0.3712418 -0.2023165), wk = 0.0039841 k( 190) = ( 0.5336363 0.3751833 -0.1872347), wk = 0.0039841 k( 191) = ( 0.5392423 0.3791247 -0.1721530), wk = 0.0039841 k( 192) = ( 0.5448484 0.3830662 -0.1570713), wk = 0.0039841 k( 193) = ( 0.5504545 0.3870076 -0.1419895), wk = 0.0039841 k( 194) = ( 0.5560605 0.3909490 -0.1269078), wk = 0.0039841 k( 195) = ( 0.5616666 0.3948905 -0.1118260), wk = 0.0039841 k( 196) = ( 0.5672726 0.3988319 -0.0967443), wk = 0.0039841 k( 197) = ( 0.5728787 0.4027734 -0.0816626), wk = 0.0039841 k( 198) = ( 0.5784847 0.4067148 -0.0665808), wk = 0.0039841 k( 199) = ( 0.5840908 0.4106562 -0.0514991), wk = 0.0039841 k( 200) = ( 0.5896968 0.4145977 -0.0364173), wk = 0.0039841 k( 201) = ( 0.5953029 0.4185391 -0.0213356), wk = 0.0039841 k( 202) = ( 0.6009089 0.4224806 -0.0062538), wk = 0.0039841 k( 203) = ( 0.6009089 0.4224806 -0.0062538), wk = 0.0039841 k( 204) = ( 0.5953029 0.4185391 0.0091753), wk = 0.0039841 k( 205) = ( 0.5896968 0.4145977 0.0246045), wk = 0.0039841 k( 206) = ( 0.5840908 0.4106562 0.0400337), wk = 0.0039841 k( 207) = ( 0.5784847 0.4067148 0.0554628), wk = 0.0039841 k( 208) = ( 0.5728787 0.4027734 0.0708920), wk = 0.0039841 k( 209) = ( 0.5672726 0.3988319 0.0863212), wk = 0.0039841 k( 210) = ( 0.5616666 0.3948905 0.1017504), wk = 0.0039841 k( 211) = ( 0.5560605 0.3909490 0.1171796), wk = 0.0039841 k( 212) = ( 0.5504545 0.3870076 0.1326087), wk = 0.0039841 k( 213) = ( 0.5448484 0.3830662 0.1480379), wk = 0.0039841 k( 214) = ( 0.5392423 0.3791247 0.1634671), wk = 0.0039841 k( 215) = ( 0.5336363 0.3751833 0.1788963), wk = 0.0039841 k( 216) = ( 0.5280303 0.3712418 0.1943254), wk = 0.0039841 k( 217) = ( 0.5224242 0.3673004 0.2097546), wk = 0.0039841 k( 218) = ( 0.5168181 0.3633589 0.2251838), wk = 0.0039841 k( 219) = ( 0.5112121 0.3594175 0.2406130), wk = 0.0039841 k( 220) = ( 0.5056061 0.3554761 0.2560421), wk = 0.0039841 k( 221) = ( 0.5000000 0.3515346 0.2714713), wk = 0.0039841 k( 222) = ( 0.5000000 -0.1798164 -0.1388626), wk = 0.0039841 k( 223) = ( 0.5069592 -0.1676946 -0.1295015), wk = 0.0039841 k( 224) = ( 0.5139185 -0.1555727 -0.1201404), wk = 0.0039841 k( 225) = ( 0.5208777 -0.1434508 -0.1107793), wk = 0.0039841 k( 226) = ( 0.5278369 -0.1313289 -0.1014183), wk = 0.0039841 k( 227) = ( 0.5347962 -0.1192070 -0.0920572), wk = 0.0039841 k( 228) = ( 0.5417554 -0.1070851 -0.0826961), wk = 0.0039841 k( 229) = ( 0.5487146 -0.0949633 -0.0733350), wk = 0.0039841 k( 230) = ( 0.5556739 -0.0828414 -0.0639739), wk = 0.0039841 k( 231) = ( 0.5626331 -0.0707195 -0.0546129), wk = 0.0039841 k( 232) = ( 0.5695923 -0.0585976 -0.0452518), wk = 0.0039841 k( 233) = ( 0.5765516 -0.0464757 -0.0358907), wk = 0.0039841 k( 234) = ( 0.5835108 -0.0343538 -0.0265296), wk = 0.0039841 k( 235) = ( 0.5904701 -0.0222320 -0.0171685), wk = 0.0039841 k( 236) = ( 0.5974293 -0.0101101 -0.0078075), wk = 0.0039841 k( 237) = ( 0.6043885 0.0020118 0.0015536), wk = 0.0039841 k( 238) = ( 0.6113478 0.0141337 0.0109147), wk = 0.0039841 k( 239) = ( 0.6183070 0.0262556 0.0202758), wk = 0.0039841 k( 240) = ( 0.6252662 0.0383775 0.0296369), wk = 0.0039841 k( 241) = ( 0.6322255 0.0504993 0.0389979), wk = 0.0039841 k( 242) = ( 0.6391847 0.0626212 0.0483590), wk = 0.0039841 k( 243) = ( 0.6461439 0.0747431 0.0577201), wk = 0.0039841 k( 244) = ( 0.6531032 0.0868650 0.0670812), wk = 0.0039841 k( 245) = ( 0.6600624 0.0989869 0.0764423), wk = 0.0039841 k( 246) = ( 0.6670217 0.1111088 0.0858033), wk = 0.0039841 k( 247) = ( 0.6739809 0.1232306 0.0951644), wk = 0.0039841 k( 248) = ( 0.6809401 0.1353525 0.1045255), wk = 0.0039841 k( 249) = ( 0.6878994 0.1474744 0.1138866), wk = 0.0039841 k( 250) = ( 0.6948586 0.1595963 0.1232477), wk = 0.0039841 k( 251) = ( 0.7018178 0.1717182 0.1326087), wk = 0.0039841 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039841 k( 2) = ( 0.0151515 0.0000000 -0.0000000), wk = 0.0039841 k( 3) = ( 0.0303030 0.0000000 0.0000000), wk = 0.0039841 k( 4) = ( 0.0454546 0.0000000 0.0000000), wk = 0.0039841 k( 5) = ( 0.0606061 0.0000000 0.0000000), wk = 0.0039841 k( 6) = ( 0.0757576 0.0000000 0.0000000), wk = 0.0039841 k( 7) = ( 0.0909091 0.0000000 0.0000000), wk = 0.0039841 k( 8) = ( 0.1060606 -0.0000000 0.0000000), wk = 0.0039841 k( 9) = ( 0.1212121 0.0000000 0.0000000), wk = 0.0039841 k( 10) = ( 0.1363636 0.0000000 -0.0000000), wk = 0.0039841 k( 11) = ( 0.1515151 -0.0000000 0.0000000), wk = 0.0039841 k( 12) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0039841 k( 13) = ( 0.1818182 0.0000000 0.0000000), wk = 0.0039841 k( 14) = ( 0.1969697 0.0000000 0.0000000), wk = 0.0039841 k( 15) = ( 0.2121212 0.0000000 0.0000000), wk = 0.0039841 k( 16) = ( 0.2272727 -0.0000000 0.0000000), wk = 0.0039841 k( 17) = ( 0.2424242 0.0000000 0.0000000), wk = 0.0039841 k( 18) = ( 0.2575758 0.0000000 0.0000000), wk = 0.0039841 k( 19) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0039841 k( 20) = ( 0.2878788 0.0000000 0.0000000), wk = 0.0039841 k( 21) = ( 0.3030303 -0.0000000 0.0000000), wk = 0.0039841 k( 22) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0039841 k( 23) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0039841 k( 24) = ( 0.3484849 -0.0000000 0.0000000), wk = 0.0039841 k( 25) = ( 0.3636364 0.0000000 0.0000000), wk = 0.0039841 k( 26) = ( 0.3787879 -0.0000000 -0.0000000), wk = 0.0039841 k( 27) = ( 0.3939394 0.0000000 0.0000000), wk = 0.0039841 k( 28) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0039841 k( 29) = ( 0.4242424 0.0000000 0.0000000), wk = 0.0039841 k( 30) = ( 0.4393939 0.0000000 0.0000000), wk = 0.0039841 k( 31) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0039841 k( 32) = ( 0.4696970 0.0000000 0.0000000), wk = 0.0039841 k( 33) = ( 0.4848485 0.0000000 0.0000000), wk = 0.0039841 k( 34) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0039841 k( 35) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0039841 k( 36) = ( 0.5000000 0.0096188 -0.0096188), wk = 0.0039841 k( 37) = ( 0.5000000 0.0192376 -0.0192376), wk = 0.0039841 k( 38) = ( 0.5000000 0.0288563 -0.0288563), wk = 0.0039841 k( 39) = ( 0.5000000 0.0384751 -0.0384751), wk = 0.0039841 k( 40) = ( 0.5000000 0.0480939 -0.0480939), wk = 0.0039841 k( 41) = ( 0.5000000 0.0577127 -0.0577127), wk = 0.0039841 k( 42) = ( 0.5000000 0.0673315 -0.0673315), wk = 0.0039841 k( 43) = ( 0.5000000 0.0769502 -0.0769502), wk = 0.0039841 k( 44) = ( 0.5000000 0.0865690 -0.0865690), wk = 0.0039841 k( 45) = ( 0.5000000 0.0961878 -0.0961878), wk = 0.0039841 k( 46) = ( 0.5000000 0.1058066 -0.1058066), wk = 0.0039841 k( 47) = ( 0.5000000 0.1154254 -0.1154254), wk = 0.0039841 k( 48) = ( 0.5000000 0.1250441 -0.1250441), wk = 0.0039841 k( 49) = ( 0.5000000 0.1346629 -0.1346629), wk = 0.0039841 k( 50) = ( 0.5000000 0.1442817 -0.1442817), wk = 0.0039841 k( 51) = ( 0.5000000 0.1539005 -0.1539005), wk = 0.0039841 k( 52) = ( 0.5000000 0.1635193 -0.1635193), wk = 0.0039841 k( 53) = ( 0.5000000 0.1731380 -0.1731380), wk = 0.0039841 k( 54) = ( 0.5000000 0.1827568 -0.1827568), wk = 0.0039841 k( 55) = ( 0.5000000 0.1923756 -0.1923756), wk = 0.0039841 k( 56) = ( 0.5000000 0.2019944 -0.2019944), wk = 0.0039841 k( 57) = ( 0.5000000 0.2116132 -0.2116132), wk = 0.0039841 k( 58) = ( 0.5000000 0.2212319 -0.2212319), wk = 0.0039841 k( 59) = ( 0.5000000 0.2308507 -0.2308507), wk = 0.0039841 k( 60) = ( 0.5000000 0.2404695 -0.2404695), wk = 0.0039841 k( 61) = ( 0.5000000 0.2500883 -0.2500883), wk = 0.0039841 k( 62) = ( 0.5000000 0.2597071 -0.2597071), wk = 0.0039841 k( 63) = ( 0.5000000 0.2693258 -0.2693258), wk = 0.0039841 k( 64) = ( 0.5000000 0.2789446 -0.2789446), wk = 0.0039841 k( 65) = ( 0.5000000 0.2885634 -0.2885634), wk = 0.0039841 k( 66) = ( 0.5000000 0.2981822 -0.2981822), wk = 0.0039841 k( 67) = ( 0.7018178 0.5000000 0.2981822), wk = 0.0039841 k( 68) = ( 0.6922074 0.5000000 0.3077926), wk = 0.0039841 k( 69) = ( 0.6825971 0.5000000 0.3174029), wk = 0.0039841 k( 70) = ( 0.6729867 0.5000000 0.3270133), wk = 0.0039841 k( 71) = ( 0.6633763 0.5000000 0.3366237), wk = 0.0039841 k( 72) = ( 0.6537660 0.5000000 0.3462340), wk = 0.0039841 k( 73) = ( 0.6441556 0.5000000 0.3558444), wk = 0.0039841 k( 74) = ( 0.6345452 0.5000000 0.3654548), wk = 0.0039841 k( 75) = ( 0.6249348 0.5000000 0.3750652), wk = 0.0039841 k( 76) = ( 0.6153245 0.5000000 0.3846755), wk = 0.0039841 k( 77) = ( 0.6057141 0.5000000 0.3942859), wk = 0.0039841 k( 78) = ( 0.5961037 0.5000000 0.4038963), wk = 0.0039841 k( 79) = ( 0.5864934 0.5000000 0.4135066), wk = 0.0039841 k( 80) = ( 0.5768830 0.5000000 0.4231170), wk = 0.0039841 k( 81) = ( 0.5672726 0.5000000 0.4327274), wk = 0.0039841 k( 82) = ( 0.5576622 0.5000000 0.4423378), wk = 0.0039841 k( 83) = ( 0.5480519 0.5000000 0.4519481), wk = 0.0039841 k( 84) = ( 0.5384415 0.5000000 0.4615585), wk = 0.0039841 k( 85) = ( 0.5288311 0.5000000 0.4711689), wk = 0.0039841 k( 86) = ( 0.5192208 0.5000000 0.4807792), wk = 0.0039841 k( 87) = ( 0.5096104 0.5000000 0.4903896), wk = 0.0039841 k( 88) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039841 k( 89) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039841 k( 90) = ( 0.4875000 0.4875000 0.4875000), wk = 0.0039841 k( 91) = ( 0.4750000 0.4750000 0.4750000), wk = 0.0039841 k( 92) = ( 0.4625000 0.4625000 0.4625000), wk = 0.0039841 k( 93) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0039841 k( 94) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0039841 k( 95) = ( 0.4250000 0.4250000 0.4250000), wk = 0.0039841 k( 96) = ( 0.4125000 0.4125000 0.4125000), wk = 0.0039841 k( 97) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0039841 k( 98) = ( 0.3875000 0.3875000 0.3875000), wk = 0.0039841 k( 99) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0039841 k( 100) = ( 0.3625000 0.3625000 0.3625000), wk = 0.0039841 k( 101) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0039841 k( 102) = ( 0.3375000 0.3375000 0.3375000), wk = 0.0039841 k( 103) = ( 0.3250000 0.3250000 0.3250000), wk = 0.0039841 k( 104) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0039841 k( 105) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0039841 k( 106) = ( 0.2875000 0.2875000 0.2875000), wk = 0.0039841 k( 107) = ( 0.2750000 0.2750000 0.2750000), wk = 0.0039841 k( 108) = ( 0.2625000 0.2625000 0.2625000), wk = 0.0039841 k( 109) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0039841 k( 110) = ( 0.2375000 0.2375000 0.2375000), wk = 0.0039841 k( 111) = ( 0.2250000 0.2250000 0.2250000), wk = 0.0039841 k( 112) = ( 0.2125000 0.2125000 0.2125000), wk = 0.0039841 k( 113) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0039841 k( 114) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0039841 k( 115) = ( 0.1750000 0.1750000 0.1750000), wk = 0.0039841 k( 116) = ( 0.1625000 0.1625000 0.1625000), wk = 0.0039841 k( 117) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0039841 k( 118) = ( 0.1375000 0.1375000 0.1375000), wk = 0.0039841 k( 119) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0039841 k( 120) = ( 0.1125000 0.1125000 0.1125000), wk = 0.0039841 k( 121) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0039841 k( 122) = ( 0.0875000 0.0875000 0.0875000), wk = 0.0039841 k( 123) = ( 0.0750000 0.0750000 0.0750000), wk = 0.0039841 k( 124) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0039841 k( 125) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0039841 k( 126) = ( 0.0375000 0.0375000 0.0375000), wk = 0.0039841 k( 127) = ( 0.0250000 0.0250000 0.0250000), wk = 0.0039841 k( 128) = ( 0.0125000 0.0125000 0.0125000), wk = 0.0039841 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039841 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039841 k( 131) = ( 0.0097339 0.0000000 -0.0097339), wk = 0.0039841 k( 132) = ( 0.0194679 0.0000000 -0.0194679), wk = 0.0039841 k( 133) = ( 0.0292018 -0.0000000 -0.0292018), wk = 0.0039841 k( 134) = ( 0.0389357 0.0000000 -0.0389357), wk = 0.0039841 k( 135) = ( 0.0486696 0.0000000 -0.0486696), wk = 0.0039841 k( 136) = ( 0.0584036 0.0000000 -0.0584036), wk = 0.0039841 k( 137) = ( 0.0681375 -0.0000000 -0.0681375), wk = 0.0039841 k( 138) = ( 0.0778714 0.0000000 -0.0778714), wk = 0.0039841 k( 139) = ( 0.0876054 0.0000000 -0.0876054), wk = 0.0039841 k( 140) = ( 0.0973393 0.0000000 -0.0973393), wk = 0.0039841 k( 141) = ( 0.1070732 -0.0000000 -0.1070732), wk = 0.0039841 k( 142) = ( 0.1168071 0.0000000 -0.1168071), wk = 0.0039841 k( 143) = ( 0.1265411 0.0000000 -0.1265411), wk = 0.0039841 k( 144) = ( 0.1362750 0.0000000 -0.1362750), wk = 0.0039841 k( 145) = ( 0.1460089 0.0000000 -0.1460089), wk = 0.0039841 k( 146) = ( 0.1557429 0.0000000 -0.1557429), wk = 0.0039841 k( 147) = ( 0.1654768 -0.0000000 -0.1654768), wk = 0.0039841 k( 148) = ( 0.1752107 0.0000000 -0.1752107), wk = 0.0039841 k( 149) = ( 0.1849446 0.0000000 -0.1849447), wk = 0.0039841 k( 150) = ( 0.1946786 0.0000000 -0.1946786), wk = 0.0039841 k( 151) = ( 0.2044125 0.0000000 -0.2044125), wk = 0.0039841 k( 152) = ( 0.2141464 -0.0000000 -0.2141464), wk = 0.0039841 k( 153) = ( 0.2238804 0.0000000 -0.2238804), wk = 0.0039841 k( 154) = ( 0.2336143 0.0000000 -0.2336143), wk = 0.0039841 k( 155) = ( 0.2433482 0.0000000 -0.2433482), wk = 0.0039841 k( 156) = ( 0.2530822 0.0000000 -0.2530822), wk = 0.0039841 k( 157) = ( 0.2628161 0.0000000 -0.2628161), wk = 0.0039841 k( 158) = ( 0.2725500 -0.0000000 -0.2725500), wk = 0.0039841 k( 159) = ( 0.2822839 0.0000000 -0.2822839), wk = 0.0039841 k( 160) = ( 0.2920179 0.0000000 -0.2920179), wk = 0.0039841 k( 161) = ( 0.3017518 0.0000000 -0.3017518), wk = 0.0039841 k( 162) = ( 0.3114857 0.0000000 -0.3114857), wk = 0.0039841 k( 163) = ( 0.3212197 -0.0000000 -0.3212197), wk = 0.0039841 k( 164) = ( 0.3309536 0.0000000 -0.3309536), wk = 0.0039841 k( 165) = ( 0.3406875 0.0000000 -0.3406875), wk = 0.0039841 k( 166) = ( 0.3504214 0.0000000 -0.3504214), wk = 0.0039841 k( 167) = ( 0.3601554 -0.0000000 -0.3601554), wk = 0.0039841 k( 168) = ( 0.3698893 0.0000000 -0.3698893), wk = 0.0039841 k( 169) = ( 0.3796232 -0.0000000 -0.3796232), wk = 0.0039841 k( 170) = ( 0.3893572 0.0000000 -0.3893572), wk = 0.0039841 k( 171) = ( 0.3990911 0.0000000 -0.3990911), wk = 0.0039841 k( 172) = ( 0.6009089 0.3990911 0.0000000), wk = 0.0039841 k( 173) = ( 0.5917354 0.4082646 0.0000000), wk = 0.0039841 k( 174) = ( 0.5825618 0.4174382 0.0000000), wk = 0.0039841 k( 175) = ( 0.5733883 0.4266117 -0.0000000), wk = 0.0039841 k( 176) = ( 0.5642148 0.4357852 0.0000000), wk = 0.0039841 k( 177) = ( 0.5550412 0.4449588 -0.0000000), wk = 0.0039841 k( 178) = ( 0.5458677 0.4541323 0.0000000), wk = 0.0039841 k( 179) = ( 0.5366941 0.4633059 -0.0000000), wk = 0.0039841 k( 180) = ( 0.5275206 0.4724794 0.0000000), wk = 0.0039841 k( 181) = ( 0.5183471 0.4816529 0.0000000), wk = 0.0039841 k( 182) = ( 0.5091735 0.4908265 0.0000000), wk = 0.0039841 k( 183) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039841 k( 184) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039841 k( 185) = ( 0.5056061 0.5056061 0.0165657), wk = 0.0039841 k( 186) = ( 0.5112121 0.5112121 0.0331314), wk = 0.0039841 k( 187) = ( 0.5168181 0.5168181 0.0496970), wk = 0.0039841 k( 188) = ( 0.5224242 0.5224242 0.0662627), wk = 0.0039841 k( 189) = ( 0.5280303 0.5280303 0.0828284), wk = 0.0039841 k( 190) = ( 0.5336363 0.5336363 0.0993941), wk = 0.0039841 k( 191) = ( 0.5392423 0.5392423 0.1159597), wk = 0.0039841 k( 192) = ( 0.5448484 0.5448484 0.1325254), wk = 0.0039841 k( 193) = ( 0.5504545 0.5504545 0.1490911), wk = 0.0039841 k( 194) = ( 0.5560605 0.5560605 0.1656568), wk = 0.0039841 k( 195) = ( 0.5616666 0.5616666 0.1822224), wk = 0.0039841 k( 196) = ( 0.5672726 0.5672726 0.1987881), wk = 0.0039841 k( 197) = ( 0.5728787 0.5728787 0.2153538), wk = 0.0039841 k( 198) = ( 0.5784847 0.5784847 0.2319195), wk = 0.0039841 k( 199) = ( 0.5840908 0.5840908 0.2484851), wk = 0.0039841 k( 200) = ( 0.5896968 0.5896968 0.2650508), wk = 0.0039841 k( 201) = ( 0.5953029 0.5953029 0.2816165), wk = 0.0039841 k( 202) = ( 0.6009089 0.6009089 0.2981822), wk = 0.0039841 k( 203) = ( 0.6009089 0.6009089 0.2981822), wk = 0.0039841 k( 204) = ( 0.5953029 0.5953029 0.3093943), wk = 0.0039841 k( 205) = ( 0.5896968 0.5896968 0.3206064), wk = 0.0039841 k( 206) = ( 0.5840908 0.5840908 0.3318185), wk = 0.0039841 k( 207) = ( 0.5784847 0.5784847 0.3430306), wk = 0.0039841 k( 208) = ( 0.5728787 0.5728787 0.3542427), wk = 0.0039841 k( 209) = ( 0.5672726 0.5672726 0.3654548), wk = 0.0039841 k( 210) = ( 0.5616666 0.5616666 0.3766669), wk = 0.0039841 k( 211) = ( 0.5560605 0.5560605 0.3878790), wk = 0.0039841 k( 212) = ( 0.5504545 0.5504545 0.3990911), wk = 0.0039841 k( 213) = ( 0.5448484 0.5448484 0.4103032), wk = 0.0039841 k( 214) = ( 0.5392423 0.5392423 0.4215153), wk = 0.0039841 k( 215) = ( 0.5336363 0.5336363 0.4327274), wk = 0.0039841 k( 216) = ( 0.5280303 0.5280303 0.4439395), wk = 0.0039841 k( 217) = ( 0.5224242 0.5224242 0.4551516), wk = 0.0039841 k( 218) = ( 0.5168181 0.5168181 0.4663637), wk = 0.0039841 k( 219) = ( 0.5112121 0.5112121 0.4775758), wk = 0.0039841 k( 220) = ( 0.5056061 0.5056061 0.4887879), wk = 0.0039841 k( 221) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039841 k( 222) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0039841 k( 223) = ( 0.5069592 0.0137618 0.0137618), wk = 0.0039841 k( 224) = ( 0.5139185 0.0275235 0.0275235), wk = 0.0039841 k( 225) = ( 0.5208777 0.0412853 0.0412853), wk = 0.0039841 k( 226) = ( 0.5278369 0.0550471 0.0550471), wk = 0.0039841 k( 227) = ( 0.5347962 0.0688088 0.0688088), wk = 0.0039841 k( 228) = ( 0.5417554 0.0825706 0.0825706), wk = 0.0039841 k( 229) = ( 0.5487146 0.0963323 0.0963323), wk = 0.0039841 k( 230) = ( 0.5556739 0.1100941 0.1100941), wk = 0.0039841 k( 231) = ( 0.5626331 0.1238559 0.1238558), wk = 0.0039841 k( 232) = ( 0.5695923 0.1376176 0.1376176), wk = 0.0039841 k( 233) = ( 0.5765516 0.1513794 0.1513794), wk = 0.0039841 k( 234) = ( 0.5835108 0.1651411 0.1651411), wk = 0.0039841 k( 235) = ( 0.5904701 0.1789029 0.1789029), wk = 0.0039841 k( 236) = ( 0.5974293 0.1926647 0.1926647), wk = 0.0039841 k( 237) = ( 0.6043885 0.2064264 0.2064264), wk = 0.0039841 k( 238) = ( 0.6113478 0.2201882 0.2201882), wk = 0.0039841 k( 239) = ( 0.6183070 0.2339499 0.2339499), wk = 0.0039841 k( 240) = ( 0.6252662 0.2477117 0.2477117), wk = 0.0039841 k( 241) = ( 0.6322255 0.2614735 0.2614735), wk = 0.0039841 k( 242) = ( 0.6391847 0.2752352 0.2752352), wk = 0.0039841 k( 243) = ( 0.6461439 0.2889970 0.2889970), wk = 0.0039841 k( 244) = ( 0.6531032 0.3027588 0.3027588), wk = 0.0039841 k( 245) = ( 0.6600624 0.3165205 0.3165205), wk = 0.0039841 k( 246) = ( 0.6670217 0.3302823 0.3302823), wk = 0.0039841 k( 247) = ( 0.6739809 0.3440440 0.3440440), wk = 0.0039841 k( 248) = ( 0.6809401 0.3578058 0.3578058), wk = 0.0039841 k( 249) = ( 0.6878994 0.3715676 0.3715676), wk = 0.0039841 k( 250) = ( 0.6948586 0.3853293 0.3853293), wk = 0.0039841 k( 251) = ( 0.7018178 0.3990911 0.3990911), wk = 0.0039841 Dense grid: 86917 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 33439 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 240, 56) NL pseudopotentials 0.36 Mb ( 120, 196) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2416) G-vector shells 0.01 Mb ( 1943) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.82 Mb ( 240, 224) Each subspace H/S matrix 0.05 Mb ( 56, 56) Each matrix 0.33 Mb ( 196, 2, 56) The potential is recalculated from file : ./B6As.save/charge-density.dat Starting wfc are 112 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.7 secs Computing kpt #: 2 total cpu time spent up to now is 2.3 secs Computing kpt #: 3 total cpu time spent up to now is 2.9 secs Computing kpt #: 4 total cpu time spent up to now is 3.5 secs Computing kpt #: 5 total cpu time spent up to now is 4.1 secs Computing kpt #: 6 total cpu time spent up to now is 4.7 secs Computing kpt #: 7 total cpu time spent up to now is 5.3 secs Computing kpt #: 8 total cpu time spent up to now is 5.9 secs Computing kpt #: 9 total cpu time spent up to now is 6.5 secs Computing kpt #: 10 total cpu time spent up to now is 7.1 secs Computing kpt #: 11 total cpu time spent up to now is 7.6 secs Computing kpt #: 12 total cpu time spent up to now is 8.3 secs Computing kpt #: 13 total cpu time spent up to now is 8.9 secs Computing kpt #: 14 total cpu time spent up to now is 9.5 secs Computing kpt #: 15 total cpu time spent up to now is 10.2 secs Computing kpt #: 16 total cpu time spent up to now is 10.8 secs Computing kpt #: 17 total cpu time spent up to now is 11.4 secs Computing kpt #: 18 total cpu time spent up to now is 12.0 secs Computing kpt #: 19 total cpu time spent up to now is 12.6 secs Computing kpt #: 20 total cpu time spent up to now is 13.1 secs Computing kpt #: 21 total cpu time spent up to now is 13.6 secs Computing kpt #: 22 total cpu time spent up to now is 14.1 secs Computing kpt #: 23 total cpu time spent up to now is 14.6 secs Computing kpt #: 24 total cpu time spent up to now is 15.2 secs Computing kpt #: 25 total cpu time spent up to now is 15.6 secs Computing kpt #: 26 total cpu time spent up to now is 16.1 secs Computing kpt #: 27 total cpu time spent up to now is 16.6 secs Computing kpt #: 28 total cpu time spent up to now is 17.1 secs Computing kpt #: 29 total cpu time spent up to now is 17.5 secs Computing kpt #: 30 total cpu time spent up to now is 18.0 secs Computing kpt #: 31 total cpu time spent up to now is 18.5 secs Computing kpt #: 32 total cpu time spent up to now is 18.9 secs Computing kpt #: 33 total cpu time spent up to now is 19.4 secs Computing kpt #: 34 total cpu time spent up to now is 19.9 secs Computing kpt #: 35 total cpu time spent up to now is 20.3 secs Computing kpt #: 36 total cpu time spent up to now is 20.8 secs Computing kpt #: 37 total cpu time spent up to now is 21.3 secs Computing kpt #: 38 total cpu time spent up to now is 21.8 secs Computing kpt #: 39 total cpu time spent up to now is 22.2 secs Computing kpt #: 40 total cpu time spent up to now is 22.7 secs Computing kpt #: 41 total cpu time spent up to now is 23.2 secs Computing kpt #: 42 total cpu time spent up to now is 23.7 secs Computing kpt #: 43 total cpu time spent up to now is 24.2 secs Computing kpt #: 44 total cpu time spent up to now is 24.8 secs Computing kpt #: 45 total cpu time spent up to now is 25.4 secs Computing kpt #: 46 total cpu time spent up to now is 26.0 secs Computing kpt #: 47 total cpu time spent up to now is 26.6 secs Computing kpt #: 48 total cpu time spent up to now is 27.3 secs Computing kpt #: 49 total cpu time spent up to now is 27.9 secs Computing kpt #: 50 total cpu time spent up to now is 28.5 secs Computing kpt #: 51 total cpu time spent up to now is 29.1 secs Computing kpt #: 52 total cpu time spent up to now is 29.8 secs Computing kpt #: 53 total cpu time spent up to now is 30.4 secs Computing kpt #: 54 total cpu time spent up to now is 31.0 secs Computing kpt #: 55 total cpu time spent up to now is 31.5 secs Computing kpt #: 56 total cpu time spent up to now is 32.1 secs Computing kpt #: 57 total cpu time spent up to now is 32.6 secs Computing kpt #: 58 total cpu time spent up to now is 33.1 secs Computing kpt #: 59 total cpu time spent up to now is 33.6 secs Computing kpt #: 60 total cpu time spent up to now is 34.1 secs Computing kpt #: 61 total cpu time spent up to now is 34.7 secs Computing kpt #: 62 total cpu time spent up to now is 35.2 secs Computing kpt #: 63 total cpu time spent up to now is 35.8 secs Computing kpt #: 64 total cpu time spent up to now is 36.4 secs Computing kpt #: 65 total cpu time spent up to now is 37.0 secs Computing kpt #: 66 total cpu time spent up to now is 37.6 secs Computing kpt #: 67 total cpu time spent up to now is 38.2 secs Computing kpt #: 68 total cpu time spent up to now is 38.7 secs Computing kpt #: 69 total cpu time spent up to now is 39.2 secs Computing kpt #: 70 total cpu time spent up to now is 39.7 secs Computing kpt #: 71 total cpu time spent up to now is 40.2 secs Computing kpt #: 72 total cpu time spent up to now is 40.7 secs Computing kpt #: 73 total cpu time spent up to now is 41.2 secs Computing kpt #: 74 total cpu time spent up to now is 41.7 secs Computing kpt #: 75 total cpu time spent up to now is 42.2 secs Computing kpt #: 76 total cpu time spent up to now is 42.7 secs Computing kpt #: 77 total cpu time spent up to now is 43.2 secs Computing kpt #: 78 total cpu time spent up to now is 43.7 secs Computing kpt #: 79 total cpu time spent up to now is 44.1 secs Computing kpt #: 80 total cpu time spent up to now is 44.6 secs Computing kpt #: 81 total cpu time spent up to now is 45.0 secs Computing kpt #: 82 total cpu time spent up to now is 45.5 secs Computing kpt #: 83 total cpu time spent up to now is 45.9 secs Computing kpt #: 84 total cpu time spent up to now is 46.4 secs Computing kpt #: 85 total cpu time spent up to now is 46.8 secs Computing kpt #: 86 total cpu time spent up to now is 47.3 secs Computing kpt #: 87 total cpu time spent up to now is 47.7 secs Computing kpt #: 88 total cpu time spent up to now is 48.2 secs Computing kpt #: 89 total cpu time spent up to now is 48.6 secs Computing kpt #: 90 total cpu time spent up to now is 49.0 secs Computing kpt #: 91 total cpu time spent up to now is 49.5 secs Computing kpt #: 92 total cpu time spent up to now is 49.9 secs Computing kpt #: 93 total cpu time spent up to now is 50.4 secs Computing kpt #: 94 total cpu time spent up to now is 50.8 secs Computing kpt #: 95 total cpu time spent up to now is 51.3 secs Computing kpt #: 96 total cpu time spent up to now is 51.7 secs Computing kpt #: 97 total cpu time spent up to now is 52.2 secs Computing kpt #: 98 total cpu time spent up to now is 52.7 secs Computing kpt #: 99 total cpu time spent up to now is 53.1 secs Computing kpt #: 100 total cpu time spent up to now is 53.6 secs Computing kpt #: 101 total cpu time spent up to now is 54.1 secs Computing kpt #: 102 total cpu time spent up to now is 54.6 secs Computing kpt #: 103 total cpu time spent up to now is 55.0 secs Computing kpt #: 104 total cpu time spent up to now is 55.5 secs Computing kpt #: 105 total cpu time spent up to now is 56.0 secs Computing kpt #: 106 total cpu time spent up to now is 56.5 secs Computing kpt #: 107 total cpu time spent up to now is 57.0 secs Computing kpt #: 108 total cpu time spent up to now is 57.5 secs Computing kpt #: 109 total cpu time spent up to now is 58.0 secs Computing kpt #: 110 total cpu time spent up to now is 58.5 secs Computing kpt #: 111 total cpu time spent up to now is 58.9 secs Computing kpt #: 112 total cpu time spent up to now is 59.4 secs Computing kpt #: 113 total cpu time spent up to now is 59.9 secs Computing kpt #: 114 total cpu time spent up to now is 60.4 secs Computing kpt #: 115 total cpu time spent up to now is 60.9 secs Computing kpt #: 116 total cpu time spent up to now is 61.4 secs Computing kpt #: 117 total cpu time spent up to now is 61.9 secs Computing kpt #: 118 total cpu time spent up to now is 62.6 secs Computing kpt #: 119 total cpu time spent up to now is 63.3 secs Computing kpt #: 120 total cpu time spent up to now is 63.9 secs Computing kpt #: 121 total cpu time spent up to now is 64.6 secs Computing kpt #: 122 total cpu time spent up to now is 65.2 secs Computing kpt #: 123 total cpu time spent up to now is 65.8 secs Computing kpt #: 124 total cpu time spent up to now is 66.4 secs Computing kpt #: 125 total cpu time spent up to now is 67.0 secs Computing kpt #: 126 total cpu time spent up to now is 67.6 secs Computing kpt #: 127 total cpu time spent up to now is 68.3 secs Computing kpt #: 128 total cpu time spent up to now is 68.9 secs Computing kpt #: 129 total cpu time spent up to now is 69.5 secs Computing kpt #: 130 total cpu time spent up to now is 70.1 secs Computing kpt #: 131 total cpu time spent up to now is 70.7 secs Computing kpt #: 132 total cpu time spent up to now is 71.3 secs Computing kpt #: 133 total cpu time spent up to now is 71.9 secs Computing kpt #: 134 total cpu time spent up to now is 72.5 secs Computing kpt #: 135 total cpu time spent up to now is 73.1 secs Computing kpt #: 136 total cpu time spent up to now is 73.7 secs Computing kpt #: 137 total cpu time spent up to now is 74.4 secs Computing kpt #: 138 total cpu time spent up to now is 75.0 secs Computing kpt #: 139 total cpu time spent up to now is 75.7 secs Computing kpt #: 140 total cpu time spent up to now is 76.3 secs Computing kpt #: 141 total cpu time spent up to now is 77.0 secs Computing kpt #: 142 total cpu time spent up to now is 77.7 secs Computing kpt #: 143 total cpu time spent up to now is 78.3 secs Computing kpt #: 144 total cpu time spent up to now is 78.9 secs Computing kpt #: 145 total cpu time spent up to now is 79.4 secs Computing kpt #: 146 total cpu time spent up to now is 79.9 secs Computing kpt #: 147 total cpu time spent up to now is 80.4 secs Computing kpt #: 148 total cpu time spent up to now is 80.9 secs Computing kpt #: 149 total cpu time spent up to now is 81.5 secs Computing kpt #: 150 total cpu time spent up to now is 82.0 secs Computing kpt #: 151 total cpu time spent up to now is 82.5 secs Computing kpt #: 152 total cpu time spent up to now is 83.0 secs Computing kpt #: 153 total cpu time spent up to now is 83.6 secs Computing kpt #: 154 total cpu time spent up to now is 84.1 secs Computing kpt #: 155 total cpu time spent up to now is 84.7 secs Computing kpt #: 156 total cpu time spent up to now is 85.2 secs Computing kpt #: 157 total cpu time spent up to now is 85.7 secs Computing kpt #: 158 total cpu time spent up to now is 86.3 secs Computing kpt #: 159 total cpu time spent up to now is 86.8 secs Computing kpt #: 160 total cpu time spent up to now is 87.4 secs Computing kpt #: 161 total cpu time spent up to now is 88.1 secs Computing kpt #: 162 total cpu time spent up to now is 88.7 secs Computing kpt #: 163 total cpu time spent up to now is 89.3 secs Computing kpt #: 164 total cpu time spent up to now is 89.9 secs Computing kpt #: 165 total cpu time spent up to now is 90.5 secs Computing kpt #: 166 total cpu time spent up to now is 91.1 secs Computing kpt #: 167 total cpu time spent up to now is 91.6 secs Computing kpt #: 168 total cpu time spent up to now is 92.2 secs Computing kpt #: 169 total cpu time spent up to now is 92.9 secs Computing kpt #: 170 total cpu time spent up to now is 93.4 secs Computing kpt #: 171 total cpu time spent up to now is 93.9 secs Computing kpt #: 172 total cpu time spent up to now is 94.5 secs Computing kpt #: 173 total cpu time spent up to now is 95.1 secs Computing kpt #: 174 total cpu time spent up to now is 95.7 secs Computing kpt #: 175 total cpu time spent up to now is 96.3 secs Computing kpt #: 176 total cpu time spent up to now is 96.9 secs Computing kpt #: 177 total cpu time spent up to now is 97.5 secs Computing kpt #: 178 total cpu time spent up to now is 98.1 secs Computing kpt #: 179 total cpu time spent up to now is 98.6 secs Computing kpt #: 180 total cpu time spent up to now is 99.1 secs Computing kpt #: 181 total cpu time spent up to now is 99.7 secs Computing kpt #: 182 total cpu time spent up to now is 100.2 secs Computing kpt #: 183 total cpu time spent up to now is 100.7 secs Computing kpt #: 184 total cpu time spent up to now is 101.2 secs Computing kpt #: 185 total cpu time spent up to now is 101.7 secs Computing kpt #: 186 total cpu time spent up to now is 102.2 secs Computing kpt #: 187 total cpu time spent up to now is 102.7 secs Computing kpt #: 188 total cpu time spent up to now is 103.2 secs Computing kpt #: 189 total cpu time spent up to now is 103.7 secs Computing kpt #: 190 total cpu time spent up to now is 104.2 secs Computing kpt #: 191 total cpu time spent up to now is 104.8 secs Computing kpt #: 192 total cpu time spent up to now is 105.3 secs Computing kpt #: 193 total cpu time spent up to now is 105.8 secs Computing kpt #: 194 total cpu time spent up to now is 106.3 secs Computing kpt #: 195 total cpu time spent up to now is 106.8 secs Computing kpt #: 196 total cpu time spent up to now is 107.3 secs Computing kpt #: 197 total cpu time spent up to now is 107.9 secs Computing kpt #: 198 total cpu time spent up to now is 108.4 secs Computing kpt #: 199 total cpu time spent up to now is 108.9 secs Computing kpt #: 200 total cpu time spent up to now is 109.4 secs Computing kpt #: 201 total cpu time spent up to now is 109.9 secs Computing kpt #: 202 total cpu time spent up to now is 110.5 secs Computing kpt #: 203 total cpu time spent up to now is 111.0 secs Computing kpt #: 204 total cpu time spent up to now is 111.5 secs Computing kpt #: 205 total cpu time spent up to now is 112.0 secs Computing kpt #: 206 total cpu time spent up to now is 112.4 secs Computing kpt #: 207 total cpu time spent up to now is 112.9 secs Computing kpt #: 208 total cpu time spent up to now is 113.4 secs Computing kpt #: 209 total cpu time spent up to now is 113.9 secs Computing kpt #: 210 total cpu time spent up to now is 114.4 secs Computing kpt #: 211 total cpu time spent up to now is 114.8 secs Computing kpt #: 212 total cpu time spent up to now is 115.3 secs Computing kpt #: 213 total cpu time spent up to now is 115.7 secs Computing kpt #: 214 total cpu time spent up to now is 116.2 secs Computing kpt #: 215 total cpu time spent up to now is 116.6 secs Computing kpt #: 216 total cpu time spent up to now is 117.1 secs Computing kpt #: 217 total cpu time spent up to now is 117.5 secs Computing kpt #: 218 total cpu time spent up to now is 118.0 secs Computing kpt #: 219 total cpu time spent up to now is 118.4 secs Computing kpt #: 220 total cpu time spent up to now is 118.9 secs Computing kpt #: 221 total cpu time spent up to now is 119.3 secs Computing kpt #: 222 total cpu time spent up to now is 119.8 secs Computing kpt #: 223 total cpu time spent up to now is 120.3 secs Computing kpt #: 224 total cpu time spent up to now is 120.7 secs Computing kpt #: 225 total cpu time spent up to now is 121.2 secs Computing kpt #: 226 total cpu time spent up to now is 121.7 secs Computing kpt #: 227 total cpu time spent up to now is 122.1 secs Computing kpt #: 228 total cpu time spent up to now is 122.6 secs Computing kpt #: 229 total cpu time spent up to now is 123.1 secs Computing kpt #: 230 total cpu time spent up to now is 123.6 secs Computing kpt #: 231 total cpu time spent up to now is 124.1 secs Computing kpt #: 232 total cpu time spent up to now is 124.6 secs Computing kpt #: 233 total cpu time spent up to now is 125.1 secs Computing kpt #: 234 total cpu time spent up to now is 125.6 secs Computing kpt #: 235 total cpu time spent up to now is 126.1 secs Computing kpt #: 236 total cpu time spent up to now is 126.6 secs Computing kpt #: 237 total cpu time spent up to now is 127.1 secs Computing kpt #: 238 total cpu time spent up to now is 127.7 secs Computing kpt #: 239 total cpu time spent up to now is 128.3 secs Computing kpt #: 240 total cpu time spent up to now is 128.9 secs Computing kpt #: 241 total cpu time spent up to now is 129.5 secs Computing kpt #: 242 total cpu time spent up to now is 130.1 secs Computing kpt #: 243 total cpu time spent up to now is 130.6 secs Computing kpt #: 244 total cpu time spent up to now is 131.2 secs Computing kpt #: 245 total cpu time spent up to now is 131.7 secs Computing kpt #: 246 total cpu time spent up to now is 132.2 secs Computing kpt #: 247 total cpu time spent up to now is 132.7 secs Computing kpt #: 248 total cpu time spent up to now is 133.3 secs Computing kpt #: 249 total cpu time spent up to now is 133.8 secs Computing kpt #: 250 total cpu time spent up to now is 134.3 secs Computing kpt #: 251 total cpu time spent up to now is 134.8 secs ethr = 2.17E-08, avg # of iterations = 18.7 total cpu time spent up to now is 134.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4215 PWs) bands (ev): -7.3132 -7.3132 -4.4218 -4.4218 -2.7602 -2.7602 -2.6078 -2.6078 -2.6010 -2.6010 -1.5998 -1.5998 -0.0237 -0.0237 -0.0131 -0.0131 1.1449 1.1449 1.1786 1.1786 1.6817 1.6817 2.7378 2.7378 2.8706 2.8706 2.9327 2.9327 3.7260 3.7260 5.1353 5.1353 5.1884 5.1884 5.1901 5.1901 5.8299 5.8299 7.0412 7.0412 7.1292 7.1292 7.2588 7.2588 7.2607 7.2607 11.7680 11.7680 12.0280 12.0280 12.0297 12.0297 12.1547 12.1547 13.2528 13.2528 k = 0.0152-0.0054-0.0042 ( 4198 PWs) bands (ev): -7.3123 -7.3123 -4.4247 -4.4247 -2.7612 -2.7612 -2.6070 -2.6070 -2.6000 -2.6000 -1.6020 -1.6020 -0.0216 -0.0216 -0.0107 -0.0107 1.1448 1.1448 1.1791 1.1791 1.6813 1.6813 2.7064 2.7064 2.8891 2.8891 2.9529 2.9529 3.7296 3.7296 5.1270 5.1270 5.1817 5.1817 5.1868 5.1868 5.8414 5.8414 7.0392 7.0392 7.1272 7.1272 7.2558 7.2558 7.2599 7.2599 11.7632 11.7632 12.0237 12.0237 12.0315 12.0315 12.1630 12.1630 13.2551 13.2551 k = 0.0303-0.0109-0.0084 ( 4195 PWs) bands (ev): -7.3095 -7.3095 -4.4333 -4.4333 -2.7643 -2.7643 -2.6059 -2.6059 -2.5958 -2.5958 -1.6087 -1.6087 -0.0166 -0.0166 -0.0023 -0.0023 1.1413 1.1413 1.1837 1.1837 1.6803 1.6803 2.6455 2.6455 2.9139 2.9139 3.0105 3.0105 3.7403 3.7403 5.0959 5.0959 5.1633 5.1633 5.1844 5.1844 5.8730 5.8730 7.0330 7.0330 7.1212 7.1212 7.2448 7.2448 7.2594 7.2594 11.7491 11.7491 12.0120 12.0120 12.0390 12.0390 12.1838 12.1838 13.2613 13.2613 k = 0.0455-0.0163-0.0126 ( 4184 PWs) bands (ev): -7.3049 -7.3049 -4.4476 -4.4476 -2.7694 -2.7694 -2.6054 -2.6054 -2.5873 -2.5873 -1.6196 -1.6196 -0.0103 -0.0103 0.0136 0.0136 1.1304 1.1304 1.1969 1.1969 1.6791 1.6791 2.5792 2.5792 2.9406 2.9406 3.0856 3.0856 3.7579 3.7579 5.0401 5.0401 5.1389 5.1389 5.1861 5.1861 5.9181 5.9181 7.0216 7.0216 7.1119 7.1119 7.2263 7.2263 7.2590 7.2590 11.7273 11.7273 11.9983 11.9983 12.0518 12.0518 12.2109 12.2109 13.2696 13.2696 k = 0.0606-0.0218-0.0168 ( 4184 PWs) bands (ev): -7.2985 -7.2985 -4.4673 -4.4673 -2.7767 -2.7767 -2.6055 -2.6055 -2.5746 -2.5746 -1.6346 -1.6346 -0.0028 -0.0028 0.0362 0.0362 1.1124 1.1124 1.2181 1.2181 1.6781 1.6781 2.5129 2.5129 2.9738 2.9738 3.1675 3.1675 3.7821 3.7821 4.9676 4.9676 5.1070 5.1070 5.1920 5.1920 5.9704 5.9704 7.0039 7.0039 7.1000 7.1000 7.2008 7.2008 7.2586 7.2586 11.6998 11.6998 11.9847 11.9847 12.0700 12.0700 12.2400 12.2400 13.2774 13.2774 k = 0.0758-0.0272-0.0210 ( 4186 PWs) bands (ev): -7.2902 -7.2902 -4.4922 -4.4922 -2.7858 -2.7858 -2.6057 -2.6057 -2.5581 -2.5581 -1.6533 -1.6533 0.0063 0.0063 0.0645 0.0645 1.0894 1.0894 1.2457 1.2457 1.6784 1.6784 2.4484 2.4484 3.0140 3.0140 3.2529 3.2529 3.8125 3.8125 4.8852 4.8852 5.0674 5.0674 5.2011 5.2011 6.0252 6.0252 6.9787 6.9787 7.0860 7.0860 7.1685 7.1685 7.2585 7.2585 11.6682 11.6682 11.9716 11.9716 12.0936 12.0936 12.2687 12.2687 13.2827 13.2827 k = 0.0909-0.0327-0.0252 ( 4184 PWs) bands (ev): -7.2801 -7.2801 -4.5220 -4.5220 -2.7967 -2.7967 -2.6061 -2.6061 -2.5381 -2.5381 -1.6756 -1.6756 0.0170 0.0170 0.0976 0.0976 1.0625 1.0625 1.2784 1.2784 1.6809 1.6809 2.3865 2.3865 3.0608 3.0608 3.3407 3.3407 3.8485 3.8485 4.7970 4.7970 5.0208 5.0208 5.2129 5.2129 6.0789 6.0789 6.9456 6.9456 7.0700 7.0700 7.1300 7.1300 7.2587 7.2587 11.6339 11.6339 11.9586 11.9586 12.1228 12.1228 12.2958 12.2958 13.2842 13.2842 k = 0.1061-0.0381-0.0295 ( 4183 PWs) bands (ev): -7.2682 -7.2682 -4.5562 -4.5562 -2.8091 -2.8091 -2.6066 -2.6066 -2.5147 -2.5147 -1.7009 -1.7009 0.0291 0.0291 0.1344 0.1344 1.0330 1.0330 1.3148 1.3148 1.6870 1.6870 2.3277 2.3277 3.1135 3.1135 3.4301 3.4301 3.8894 3.8894 4.7059 4.7059 4.9679 4.9679 5.2272 5.2272 6.1293 6.1293 6.9048 6.9048 7.0517 7.0517 7.0859 7.0859 7.2593 7.2593 11.5973 11.5973 11.9455 11.9455 12.1574 12.1574 12.3208 12.3208 13.2814 13.2814 k = 0.1212-0.0436-0.0337 ( 4188 PWs) bands (ev): -7.2545 -7.2545 -4.5947 -4.5947 -2.8225 -2.8225 -2.6071 -2.6071 -2.4884 -2.4884 -1.7289 -1.7289 0.0425 0.0425 0.1738 0.1738 1.0018 1.0018 1.3536 1.3536 1.6986 1.6986 2.2725 2.2725 3.1712 3.1712 3.5204 3.5204 3.9340 3.9340 4.6147 4.6147 4.9095 4.9095 5.2438 5.2438 6.1744 6.1744 6.8566 6.8566 7.0299 7.0299 7.0374 7.0374 7.2601 7.2601 11.5586 11.5586 11.9317 11.9317 12.1973 12.1973 12.3438 12.3438 13.2737 13.2737 k = 0.1364-0.0490-0.0379 ( 4180 PWs) bands (ev): -7.2391 -7.2391 -4.6369 -4.6369 -2.8366 -2.8366 -2.6077 -2.6077 -2.4594 -2.4594 -1.7591 -1.7591 0.0567 0.0567 0.2144 0.2144 0.9699 0.9699 1.3933 1.3933 1.7173 1.7173 2.2215 2.2215 3.2330 3.2330 3.6105 3.6105 3.9805 3.9805 4.5264 4.5264 4.8467 4.8467 5.2625 5.2625 6.2121 6.2121 6.8020 6.8020 6.9832 6.9832 7.0065 7.0065 7.2611 7.2611 11.5170 11.5170 11.9173 11.9173 12.2418 12.2418 12.3653 12.3653 13.2616 13.2616 k = 0.1515-0.0545-0.0421 ( 4188 PWs) bands (ev): -7.2219 -7.2219 -4.6824 -4.6824 -2.8511 -2.8511 -2.6083 -2.6083 -2.4282 -2.4282 -1.7913 -1.7913 0.0715 0.0715 0.2550 0.2550 0.9382 0.9382 1.4325 1.4325 1.7445 1.7445 2.1752 2.1752 3.2981 3.2981 3.6986 3.6986 4.0257 4.0257 4.4464 4.4464 4.7803 4.7803 5.2833 5.2833 6.2403 6.2403 6.7418 6.7418 6.9275 6.9275 6.9785 6.9785 7.2622 7.2622 11.4714 11.4714 11.9022 11.9022 12.2898 12.2898 12.3861 12.3861 13.2457 13.2457 k = 0.1667-0.0599-0.0463 ( 4187 PWs) bands (ev): -7.2031 -7.2031 -4.7310 -4.7310 -2.8656 -2.8656 -2.6089 -2.6089 -2.3951 -2.3951 -1.8249 -1.8249 0.0864 0.0864 0.2941 0.2941 0.9076 0.9076 1.4707 1.4707 1.7804 1.7804 2.1349 2.1349 3.3655 3.3655 3.7807 3.7807 4.0636 4.0636 4.3847 4.3847 4.7113 4.7113 5.3062 5.3062 6.2562 6.2562 6.6769 6.6769 6.8712 6.8712 6.9470 6.9470 7.2632 7.2632 11.4208 11.4208 11.8867 11.8867 12.3394 12.3394 12.4070 12.4070 13.2277 13.2277 k = 0.1818-0.0654-0.0505 ( 4183 PWs) bands (ev): -7.1825 -7.1825 -4.7821 -4.7821 -2.8800 -2.8800 -2.6095 -2.6095 -2.3604 -2.3604 -1.8595 -1.8595 0.1010 0.1010 0.3304 0.3304 0.8791 0.8791 1.5083 1.5083 1.8232 1.8232 2.1032 2.1032 3.4344 3.4344 3.8453 3.8453 4.0894 4.0894 4.3576 4.3576 4.6409 4.6409 5.3309 5.3309 6.2565 6.2565 6.6084 6.6084 6.8174 6.8174 6.9119 6.9119 7.2641 7.2641 11.3637 11.3637 11.8712 11.8712 12.3875 12.3875 12.4289 12.4289 13.2095 13.2095 k = 0.1970-0.0708-0.0547 ( 4183 PWs) bands (ev): -7.1604 -7.1604 -4.8355 -4.8355 -2.8938 -2.8938 -2.6101 -2.6101 -2.3245 -2.3245 -1.8947 -1.8947 0.1146 0.1146 0.3625 0.3625 0.8534 0.8534 1.5461 1.5461 1.8676 1.8676 2.0850 2.0850 3.5033 3.5033 3.8672 3.8672 4.1201 4.1201 4.3731 4.3731 4.5704 4.5704 5.3574 5.3574 6.2378 6.2378 6.5364 6.5364 6.7697 6.7697 6.8733 6.8733 7.2648 7.2648 11.2994 11.2994 11.8563 11.8563 12.4283 12.4283 12.4530 12.4530 13.1933 13.1933 k = 0.2121-0.0763-0.0589 ( 4181 PWs) bands (ev): -7.1367 -7.1367 -4.8908 -4.8908 -2.9070 -2.9070 -2.6106 -2.6106 -2.2880 -2.2880 -1.9301 -1.9301 0.1266 0.1266 0.3896 0.3896 0.8315 0.8315 1.5845 1.5845 1.9036 1.9036 2.0905 2.0905 3.5707 3.5707 3.8344 3.8344 4.1801 4.1801 4.4184 4.4184 4.5016 4.5016 5.3855 5.3855 6.1984 6.1984 6.4604 6.4604 6.7312 6.7312 6.8316 6.8316 7.2651 7.2651 11.2275 11.2275 11.8424 11.8424 12.4567 12.4567 12.4774 12.4774 13.1810 13.1810 k = 0.2273-0.0817-0.0631 ( 4183 PWs) bands (ev): -7.1115 -7.1115 -4.9476 -4.9476 -2.9194 -2.9194 -2.6112 -2.6112 -2.2512 -2.2512 -1.9651 -1.9651 0.1364 0.1364 0.4110 0.4110 0.8141 0.8141 1.6228 1.6228 1.9238 1.9238 2.1280 2.1280 3.6331 3.6331 3.7711 3.7711 4.2608 4.2608 4.4344 4.4344 4.4815 4.4815 5.4151 5.4151 6.1396 6.1396 6.3791 6.3791 6.7022 6.7022 6.7873 6.7873 7.2651 7.2651 11.1483 11.1483 11.8299 11.8299 12.4720 12.4720 12.4935 12.4935 13.1742 13.1742 k = 0.2424-0.0872-0.0673 ( 4187 PWs) bands (ev): -7.0848 -7.0848 -5.0055 -5.0055 -2.9309 -2.9309 -2.6117 -2.6117 -2.2153 -2.2153 -1.9986 -1.9986 0.1434 0.1434 0.4263 0.4263 0.8018 0.8018 1.6577 1.6577 1.9376 1.9376 2.1908 2.1908 3.6658 3.6658 3.7183 3.7183 4.3495 4.3495 4.3772 4.3772 4.5500 4.5500 5.4460 5.4460 6.0653 6.0653 6.2919 6.2919 6.6797 6.6797 6.7416 6.7416 7.2647 7.2647 11.0624 11.0624 11.8189 11.8189 12.4623 12.4623 12.5052 12.5052 13.1738 13.1738 k = 0.2576-0.0926-0.0715 ( 4193 PWs) bands (ev): -7.0569 -7.0569 -5.0643 -5.0643 -2.9413 -2.9413 -2.6121 -2.6121 -2.1823 -2.1823 -2.0288 -2.0288 0.1472 0.1472 0.4358 0.4358 0.7952 0.7952 1.6844 1.6844 1.9602 1.9602 2.2683 2.2683 3.5994 3.5994 3.7487 3.7487 4.3299 4.3299 4.4428 4.4428 4.6237 4.6237 5.4780 5.4780 5.9799 5.9799 6.1990 6.1990 6.6559 6.6559 6.6992 6.6992 7.2639 7.2639 10.9709 10.9709 11.8095 11.8095 12.4227 12.4227 12.5157 12.5157 13.1794 13.1794 k = 0.2727-0.0981-0.0757 ( 4195 PWs) bands (ev): -7.0276 -7.0276 -5.1235 -5.1235 -2.9505 -2.9505 -2.6125 -2.6125 -2.1580 -2.1580 -2.0496 -2.0496 0.1475 0.1475 0.4399 0.4399 0.7944 0.7944 1.6993 1.6993 2.0002 2.0002 2.3542 2.3542 3.5173 3.5173 3.7764 3.7764 4.3021 4.3021 4.5360 4.5360 4.6997 4.6997 5.5108 5.5108 5.8869 5.8869 6.1014 6.1014 6.6180 6.6180 6.6701 6.6701 7.2628 7.2628 10.8753 10.8753 11.8014 11.8014 12.3608 12.3608 12.5219 12.5219 13.1887 13.1887 k = 0.2879-0.1035-0.0800 ( 4192 PWs) bands (ev): -6.9972 -6.9972 -5.1829 -5.1829 -2.9587 -2.9587 -2.6128 -2.6128 -2.1546 -2.1546 -2.0491 -2.0491 0.1446 0.1446 0.4392 0.4392 0.7993 0.7993 1.7033 1.7033 2.0582 2.0582 2.4455 2.4455 3.4351 3.4351 3.7819 3.7819 4.2988 4.2988 4.6286 4.6286 4.7764 4.7764 5.5441 5.5441 5.7893 5.7893 6.0000 6.0000 6.5677 6.5677 6.6511 6.6511 7.2613 7.2613 10.7769 10.7769 11.7945 11.7945 12.2845 12.2845 12.5232 12.5232 13.1979 13.1979 k = 0.3030-0.1090-0.0842 ( 4196 PWs) bands (ev): -6.9659 -6.9659 -5.2421 -5.2421 -2.9657 -2.9657 -2.6131 -2.6131 -2.1724 -2.1724 -2.0271 -2.0271 0.1386 0.1386 0.4345 0.4345 0.8093 0.8093 1.7006 1.7006 2.1305 2.1305 2.5406 2.5406 3.3552 3.3552 3.7639 3.7639 4.3208 4.3208 4.7193 4.7193 4.8522 4.8522 5.5775 5.5775 5.6897 5.6897 5.8961 5.8961 6.5126 6.5126 6.6331 6.6331 7.2595 7.2595 10.6773 10.6773 11.7887 11.7887 12.2004 12.2004 12.5198 12.5198 13.2014 13.2014 k = 0.3182-0.1144-0.0884 ( 4197 PWs) bands (ev): -6.9337 -6.9337 -5.3007 -5.3007 -2.9715 -2.9715 -2.6133 -2.6133 -2.1984 -2.1984 -1.9965 -1.9965 0.1302 0.1302 0.4266 0.4266 0.8239 0.8239 1.6947 1.6947 2.2128 2.2128 2.6379 2.6379 3.2791 3.2791 3.7277 3.7277 4.3624 4.3624 4.8062 4.8062 4.9248 4.9248 5.5895 5.5895 5.6122 5.6122 5.7914 5.7914 6.4555 6.4555 6.6131 6.6131 7.2574 7.2574 10.5777 10.5777 11.7838 11.7838 12.1130 12.1130 12.5128 12.5128 13.1944 13.1944 k = 0.3333-0.1199-0.0926 ( 4191 PWs) bands (ev): -6.9010 -6.9010 -5.3583 -5.3583 -2.9763 -2.9763 -2.6135 -2.6135 -2.2263 -2.2263 -1.9639 -1.9639 0.1199 0.1199 0.4164 0.4164 0.8421 0.8421 1.6878 1.6878 2.3023 2.3023 2.7358 2.7358 3.2085 3.2085 3.6807 3.6807 4.4166 4.4166 4.8864 4.8864 4.9909 4.9909 5.4968 5.4968 5.6434 5.6434 5.6891 5.6891 6.3974 6.3974 6.5899 6.5899 7.2551 7.2551 10.4797 10.4797 11.7796 11.7796 12.0257 12.0257 12.5034 12.5034 13.1746 13.1746 k = 0.3485-0.1253-0.0968 ( 4197 PWs) bands (ev): -6.8679 -6.8679 -5.4146 -5.4146 -2.9801 -2.9801 -2.6136 -2.6136 -2.2539 -2.2539 -1.9314 -1.9314 0.1085 0.1085 0.4045 0.4045 0.8629 0.8629 1.6810 1.6810 2.3964 2.3964 2.8308 2.8308 3.1469 3.1469 3.6285 3.6285 4.4778 4.4778 4.9508 4.9508 5.0477 5.0477 5.4141 5.4141 5.5939 5.5939 5.6760 5.6760 6.3391 6.3391 6.5629 6.5629 7.2525 7.2525 10.3845 10.3845 11.7760 11.7760 11.9406 11.9406 12.4927 12.4927 13.1433 13.1433 k = 0.3636-0.1308-0.1010 ( 4203 PWs) bands (ev): -6.8348 -6.8348 -5.4691 -5.4691 -2.9829 -2.9829 -2.6137 -2.6137 -2.2802 -2.2802 -1.9002 -1.9002 0.0965 0.0965 0.3916 0.3916 0.8854 0.8854 1.6751 1.6751 2.4932 2.4932 2.9110 2.9110 3.1065 3.1065 3.5750 3.5750 4.5422 4.5422 4.9759 4.9759 5.1004 5.1004 5.3436 5.3436 5.5257 5.5257 5.7055 5.7055 6.2814 6.2814 6.5318 6.5318 7.2498 7.2498 10.2934 10.2934 11.7728 11.7728 11.8597 11.8597 12.4816 12.4816 13.1037 13.1037 k = 0.3788-0.1362-0.1052 ( 4203 PWs) bands (ev): -6.8021 -6.8021 -5.5212 -5.5212 -2.9849 -2.9849 -2.6138 -2.6138 -2.3049 -2.3049 -1.8708 -1.8708 0.0845 0.0845 0.3784 0.3784 0.9087 0.9087 1.6703 1.6703 2.5905 2.5905 2.9400 2.9400 3.1240 3.1240 3.5225 3.5225 4.6074 4.6074 4.9451 4.9451 5.1528 5.1528 5.2736 5.2736 5.5091 5.5091 5.7326 5.7326 6.2254 6.2254 6.4965 6.4965 7.2470 7.2470 10.2077 10.2077 11.7700 11.7700 11.7841 11.7841 12.4710 12.4710 13.0599 13.0599 k = 0.3939-0.1417-0.1094 ( 4207 PWs) bands (ev): -6.7704 -6.7704 -5.5704 -5.5704 -2.9862 -2.9862 -2.6138 -2.6138 -2.3274 -2.3274 -1.8438 -1.8438 0.0729 0.0729 0.3654 0.3654 0.9318 0.9318 1.6667 1.6667 2.6843 2.6843 2.9187 2.9187 3.2001 3.2001 3.4729 3.4729 4.6713 4.6713 4.8768 4.8768 5.1451 5.1451 5.2495 5.2495 5.5409 5.5409 5.7563 5.7563 6.1722 6.1722 6.4569 6.4569 7.2442 7.2442 10.1286 10.1286 11.7149 11.7149 11.7675 11.7675 12.4614 12.4614 13.0150 13.0150 k = 0.4091-0.1471-0.1136 ( 4205 PWs) bands (ev): -6.7401 -6.7401 -5.6159 -5.6159 -2.9870 -2.9870 -2.6138 -2.6138 -2.3476 -2.3476 -1.8196 -1.8196 0.0622 0.0622 0.3532 0.3532 0.9540 0.9540 1.6642 1.6642 2.7634 2.7634 2.8976 2.8976 3.2930 3.2930 3.4275 3.4275 4.7307 4.7307 4.7941 4.7941 5.0572 5.0572 5.2950 5.2950 5.5976 5.5976 5.7756 5.7756 6.1235 6.1235 6.4130 6.4130 7.2415 7.2415 10.0572 10.0572 11.6533 11.6533 11.7652 11.7652 12.4533 12.4533 12.9717 12.9717 k = 0.4242-0.1526-0.1178 ( 4207 PWs) bands (ev): -6.7120 -6.7120 -5.6570 -5.6570 -2.9872 -2.9872 -2.6138 -2.6138 -2.3651 -2.3651 -1.7984 -1.7984 0.0527 0.0527 0.3420 0.3420 0.9743 0.9743 1.6627 1.6627 2.7903 2.7903 2.9256 2.9256 3.3791 3.3791 3.3962 3.3962 4.7015 4.7015 4.7911 4.7911 4.9613 4.9613 5.3434 5.3434 5.6648 5.6648 5.7894 5.7894 6.0814 6.0814 6.3651 6.3651 7.2390 7.2390 9.9946 9.9946 11.5998 11.5998 11.7631 11.7631 12.4468 12.4468 12.9319 12.9319 k = 0.4394-0.1580-0.1220 ( 4205 PWs) bands (ev): -6.6871 -6.6871 -5.6926 -5.6926 -2.9872 -2.9872 -2.6138 -2.6138 -2.3798 -2.3798 -1.7806 -1.7806 0.0446 0.0446 0.3324 0.3324 0.9921 0.9921 1.6618 1.6618 2.7737 2.7737 2.9950 2.9950 3.3517 3.3517 3.4805 3.4805 4.6180 4.6180 4.8275 4.8275 4.8812 4.8812 5.3856 5.3856 5.7338 5.7338 5.7982 5.7982 6.0479 6.0479 6.3135 6.3135 7.2368 7.2368 9.9418 9.9418 11.5551 11.5551 11.7613 11.7613 12.4420 12.4420 12.8971 12.8971 k = 0.4545-0.1635-0.1262 ( 4209 PWs) bands (ev): -6.6662 -6.6662 -5.7219 -5.7219 -2.9870 -2.9870 -2.6138 -2.6138 -2.3915 -2.3915 -1.7665 -1.7665 0.0381 0.0381 0.3246 0.3246 1.0067 1.0067 1.6615 1.6615 2.7519 2.7519 3.0652 3.0652 3.3244 3.3244 3.5627 3.5627 4.5431 4.5431 4.7719 4.7719 4.8951 4.8951 5.4197 5.4197 5.7810 5.7810 5.8222 5.8222 6.0244 6.0244 6.2591 6.2591 7.2350 7.2350 9.8997 9.8997 11.5198 11.5198 11.7598 11.7598 12.4388 12.4388 12.8686 12.8686 k = 0.4697-0.1689-0.1304 ( 4211 PWs) bands (ev): -6.6504 -6.6504 -5.7438 -5.7438 -2.9868 -2.9868 -2.6138 -2.6138 -2.3999 -2.3999 -1.7562 -1.7562 0.0334 0.0334 0.3188 0.3188 1.0175 1.0175 1.6615 1.6615 2.7343 2.7343 3.1229 3.1229 3.3043 3.3043 3.6304 3.6304 4.4832 4.4832 4.7044 4.7044 4.9263 4.9263 5.4446 5.4446 5.7831 5.7831 5.8830 5.8830 6.0108 6.0108 6.2036 6.2036 7.2336 7.2336 9.8691 9.8691 11.4943 11.4943 11.7587 11.7587 12.4368 12.4368 12.8474 12.8474 k = 0.4848-0.1744-0.1347 ( 4209 PWs) bands (ev): -6.6404 -6.6404 -5.7574 -5.7574 -2.9866 -2.9866 -2.6137 -2.6137 -2.4050 -2.4050 -1.7500 -1.7500 0.0305 0.0305 0.3153 0.3153 1.0242 1.0242 1.6616 1.6616 2.7232 2.7232 3.1609 3.1609 3.2920 3.2920 3.6760 3.6760 4.4441 4.4441 4.6581 4.6581 4.9470 4.9470 5.4598 5.4598 5.7787 5.7787 5.9385 5.9385 6.0061 6.0061 6.1527 6.1527 7.2327 7.2327 9.8504 9.8504 11.4789 11.4789 11.7580 11.7580 12.4358 12.4358 12.8344 12.8344 k = 0.5000-0.1798-0.1389 ( 4208 PWs) bands (ev): -6.6371 -6.6371 -5.7620 -5.7620 -2.9866 -2.9866 -2.6137 -2.6137 -2.4068 -2.4068 -1.7479 -1.7479 0.0295 0.0295 0.3141 0.3141 1.0265 1.0265 1.6616 1.6616 2.7195 2.7195 3.1742 3.1742 3.2879 3.2879 3.6923 3.6923 4.4304 4.4304 4.6415 4.6415 4.9542 4.9542 5.4649 5.4649 5.7767 5.7767 5.9625 5.9625 6.0082 6.0082 6.1271 6.1271 7.2324 7.2324 9.8442 9.8442 11.4737 11.4737 11.7578 11.7578 12.4355 12.4355 12.8300 12.8300 k = 0.5000-0.1798-0.1389 ( 4208 PWs) bands (ev): -6.6371 -6.6371 -5.7620 -5.7620 -2.9866 -2.9866 -2.6137 -2.6137 -2.4068 -2.4068 -1.7479 -1.7479 0.0295 0.0295 0.3141 0.3141 1.0265 1.0265 1.6616 1.6616 2.7195 2.7195 3.1742 3.1742 3.2879 3.2879 3.6923 3.6923 4.4304 4.4304 4.6415 4.6415 4.9542 4.9542 5.4649 5.4649 5.7767 5.7767 5.9625 5.9625 6.0082 6.0082 6.1271 6.1271 7.2324 7.2324 9.8442 9.8442 11.4737 11.4737 11.7578 11.7578 12.4355 12.4355 12.8300 12.8300 k = 0.5000-0.1696-0.1521 ( 4206 PWs) bands (ev): -6.6366 -6.6366 -5.7611 -5.7611 -3.0056 -3.0056 -2.5941 -2.5941 -2.4093 -2.4093 -1.7502 -1.7502 0.0320 0.0320 0.3157 0.3157 1.0294 1.0294 1.6579 1.6579 2.7231 2.7231 3.1728 3.1728 3.2908 3.2908 3.6929 3.6929 4.4310 4.4310 4.6404 4.6404 4.9532 4.9532 5.4655 5.4655 5.7604 5.7604 5.9615 5.9615 5.9944 5.9944 6.1519 6.1519 7.2303 7.2303 9.8469 9.8469 11.4718 11.4718 11.7597 11.7597 12.4374 12.4374 12.8398 12.8398 k = 0.5000-0.1594-0.1653 ( 4202 PWs) bands (ev): -6.6350 -6.6350 -5.7584 -5.7584 -3.0539 -3.0539 -2.5439 -2.5439 -2.4168 -2.4168 -1.7571 -1.7571 0.0394 0.0394 0.3203 0.3203 1.0383 1.0383 1.6471 1.6471 2.7341 2.7341 3.1687 3.1687 3.2991 3.2991 3.6952 3.6952 4.4328 4.4328 4.6371 4.6371 4.9501 4.9501 5.4672 5.4672 5.7195 5.7195 5.9216 5.9216 6.0085 6.0085 6.2001 6.2001 7.2241 7.2241 9.8548 9.8548 11.4661 11.4661 11.7653 11.7653 12.4430 12.4430 12.8688 12.8688 k = 0.5000-0.1492-0.1786 ( 4208 PWs) bands (ev): -6.6325 -6.6325 -5.7539 -5.7539 -3.1176 -3.1176 -2.4773 -2.4773 -2.4292 -2.4292 -1.7682 -1.7682 0.0512 0.0512 0.3280 0.3280 1.0533 1.0533 1.6297 1.6297 2.7523 2.7523 3.1618 3.1618 3.3108 3.3108 3.7005 3.7005 4.4358 4.4358 4.6313 4.6313 4.9449 4.9449 5.4697 5.4697 5.6652 5.6652 5.8666 5.8666 6.0355 6.0355 6.2526 6.2526 7.2137 7.2137 9.8681 9.8681 11.4577 11.4577 11.7742 11.7742 12.4526 12.4526 12.9154 12.9154 k = 0.5000-0.1389-0.1918 ( 4204 PWs) bands (ev): -6.6289 -6.6289 -5.7477 -5.7477 -3.1882 -3.1882 -2.4466 -2.4466 -2.4026 -2.4026 -1.7832 -1.7832 0.0669 0.0669 0.3389 0.3389 1.0747 1.0747 1.6066 1.6066 2.7775 2.7775 3.1520 3.1520 3.3232 3.3232 3.7106 3.7106 4.4399 4.4399 4.6227 4.6227 4.9378 4.9378 5.4716 5.4716 5.6044 5.6044 5.8103 5.8103 6.0622 6.0622 6.3042 6.3042 7.1993 7.1993 9.8865 9.8865 11.4476 11.4476 11.7856 11.7856 12.4664 12.4664 12.9776 12.9776 k = 0.5000-0.1287-0.2050 ( 4202 PWs) bands (ev): -6.6244 -6.6244 -5.7398 -5.7398 -3.2617 -3.2617 -2.4683 -2.4683 -2.3243 -2.3243 -1.8017 -1.8017 0.0857 0.0857 0.3530 0.3530 1.1025 1.1025 1.5787 1.5787 2.8094 2.8094 3.1387 3.1387 3.3333 3.3333 3.7279 3.7279 4.4453 4.4453 4.6108 4.6108 4.9289 4.9289 5.4668 5.4668 5.5463 5.5463 5.7557 5.7557 6.0857 6.0857 6.3531 6.3531 7.1809 7.1809 9.9102 9.9102 11.4369 11.4369 11.7988 11.7988 12.4846 12.4846 13.0523 13.0523 k = 0.5000-0.1185-0.2183 ( 4198 PWs) bands (ev): -6.6190 -6.6190 -5.7301 -5.7301 -3.3360 -3.3360 -2.4944 -2.4944 -2.2445 -2.2445 -1.8232 -1.8232 0.1069 0.1069 0.3705 0.3705 1.1370 1.1370 1.5472 1.5472 2.8476 2.8476 3.1210 3.1210 3.3385 3.3385 3.7546 3.7546 4.4517 4.4517 4.5950 4.5950 4.9183 4.9183 5.4315 5.4315 5.5167 5.5167 5.7044 5.7044 6.1052 6.1052 6.3985 6.3985 7.1587 7.1587 9.9389 9.9389 11.4268 11.4268 11.8128 11.8128 12.5073 12.5073 13.1363 13.1363 k = 0.5000-0.1083-0.2315 ( 4196 PWs) bands (ev): -6.6127 -6.6127 -5.7186 -5.7186 -3.4100 -3.4100 -2.5245 -2.5245 -2.1647 -2.1647 -1.8472 -1.8472 0.1299 0.1299 0.3914 0.3914 1.1783 1.1783 1.5132 1.5132 2.8918 2.8918 3.0980 3.0980 3.3376 3.3376 3.7915 3.7915 4.4592 4.4592 4.5742 4.5742 4.9064 4.9064 5.3669 5.3669 5.5164 5.5164 5.6575 5.6575 6.1206 6.1206 6.4395 6.4395 7.1328 7.1328 9.9725 9.9725 11.4180 11.4180 11.8269 11.8269 12.5340 12.5340 13.2251 13.2251 k = 0.5000-0.0980-0.2448 ( 4190 PWs) bands (ev): -6.6055 -6.6055 -5.7056 -5.7056 -3.4828 -3.4828 -2.5582 -2.5582 -2.0859 -2.0859 -1.8733 -1.8733 0.1540 0.1540 0.4159 0.4159 1.2263 1.2263 1.4778 1.4778 2.9413 2.9413 3.0686 3.0686 3.3311 3.3311 3.8383 3.8383 4.4677 4.4677 4.5472 4.5472 4.8936 4.8936 5.2959 5.2959 5.5243 5.5243 5.6158 5.6158 6.1319 6.1319 6.4757 6.4757 7.1033 7.1033 10.0109 10.0109 11.4110 11.4110 11.8406 11.8406 12.5638 12.5638 13.3135 13.3135 k = 0.5000-0.0878-0.2580 ( 4194 PWs) bands (ev): -6.5976 -6.5976 -5.6908 -5.6908 -3.5540 -3.5540 -2.5950 -2.5950 -2.0089 -2.0089 -1.9011 -1.9011 0.1788 0.1788 0.4441 0.4441 1.2807 1.2807 1.4423 1.4423 2.9936 2.9936 3.0336 3.0336 3.3203 3.3203 3.8934 3.8934 4.4769 4.4769 4.5127 4.5127 4.8806 4.8806 5.2260 5.2260 5.5353 5.5353 5.5800 5.5800 6.1396 6.1396 6.5068 6.5068 7.0702 7.0702 10.0539 10.0539 11.4059 11.4059 11.8537 11.8537 12.5950 12.5950 13.3940 13.3940 k = 0.5000-0.0776-0.2712 ( 4194 PWs) bands (ev): -6.5890 -6.5890 -5.6745 -5.6745 -3.6233 -3.6233 -2.6346 -2.6346 -1.9367 -1.9367 -1.9282 -1.9282 0.2040 0.2040 0.4762 0.4762 1.3397 1.3397 1.4087 1.4087 2.9816 2.9816 3.0589 3.0589 3.3070 3.3070 3.9549 3.9549 4.4662 4.4662 4.4897 4.4897 4.8682 4.8682 5.1606 5.1606 5.5475 5.5475 5.5509 5.5509 6.1439 6.1439 6.5324 6.5324 7.0338 7.0338 10.1013 10.1013 11.4027 11.4027 11.8662 11.8662 12.6253 12.6253 13.4578 13.4578 k = 0.5000-0.0674-0.2845 ( 4186 PWs) bands (ev): -6.5798 -6.5798 -5.6566 -5.6566 -3.6902 -3.6902 -2.6763 -2.6763 -1.9611 -1.9611 -1.8631 -1.8631 0.2295 0.2295 0.5123 0.5123 1.3660 1.3660 1.4149 1.4149 2.9273 2.9273 3.1213 3.1213 3.2927 3.2927 4.0209 4.0209 4.4123 4.4123 4.5002 4.5002 4.8574 4.8574 5.1021 5.1021 5.5268 5.5268 5.5623 5.5623 6.1455 6.1455 6.5523 6.5523 6.9942 6.9942 10.1527 10.1527 11.4011 11.4011 11.8785 11.8785 12.6519 12.6519 13.4966 13.4966 k = 0.5000-0.0572-0.2977 ( 4190 PWs) bands (ev): -6.5701 -6.5701 -5.6372 -5.6372 -3.7546 -3.7546 -2.7199 -2.7199 -1.9925 -1.9925 -1.7960 -1.7960 0.2553 0.2553 0.5525 0.5525 1.3373 1.3373 1.4831 1.4831 2.8631 2.8631 3.1873 3.1873 3.2788 3.2788 4.0896 4.0896 4.3467 4.3467 4.5122 4.5122 4.8493 4.8493 5.0520 5.0520 5.5095 5.5095 5.5775 5.5775 6.1449 6.1449 6.5663 6.5663 6.9515 6.9515 10.2079 10.2079 11.4006 11.4006 11.8912 11.8912 12.6715 12.6715 13.5078 13.5078 k = 0.5000-0.0469-0.3109 ( 4194 PWs) bands (ev): -6.5600 -6.5600 -5.6164 -5.6164 -3.8162 -3.8162 -2.7647 -2.7647 -2.0248 -2.0248 -1.7335 -1.7335 0.2816 0.2816 0.5968 0.5968 1.3086 1.3086 1.5583 1.5583 2.7904 2.7904 3.2445 3.2445 3.2767 3.2767 4.1593 4.1593 4.2709 4.2709 4.5251 4.5251 4.8450 4.8450 5.0111 5.0111 5.4981 5.4981 5.5934 5.5934 6.1427 6.1427 6.5743 6.5743 6.9058 6.9058 10.2664 10.2664 11.4005 11.4005 11.9048 11.9048 12.6811 12.6811 13.4963 13.4963 k = 0.5000-0.0367-0.3242 ( 4190 PWs) bands (ev): -6.5497 -6.5497 -5.5941 -5.5941 -3.8748 -3.8748 -2.8104 -2.8104 -2.0577 -2.0577 -1.6761 -1.6761 0.3084 0.3084 0.6453 0.6453 1.2831 1.2831 1.6370 1.6370 2.7100 2.7100 3.2422 3.2422 3.3363 3.3363 4.1861 4.1861 4.2289 4.2289 4.5384 4.5384 4.8457 4.8457 4.9791 4.9791 5.4923 5.4923 5.6098 5.6098 6.1394 6.1394 6.5764 6.5764 6.8573 6.8573 10.3278 10.3278 11.4002 11.4002 11.9201 11.9201 12.6785 12.6785 13.4708 13.4708 k = 0.5000-0.0265-0.3374 ( 4186 PWs) bands (ev): -6.5391 -6.5391 -5.5706 -5.5706 -3.9301 -3.9301 -2.8564 -2.8564 -2.0913 -2.0913 -1.6243 -1.6243 0.3360 0.3360 0.6977 0.6977 1.2615 1.2615 1.7175 1.7175 2.6227 2.6227 3.2282 3.2282 3.4088 3.4088 4.0970 4.0970 4.2949 4.2949 4.5520 4.5520 4.8519 4.8519 4.9562 4.9562 5.4916 5.4916 5.6263 5.6263 6.1357 6.1357 6.5725 6.5725 6.8062 6.8062 10.3916 10.3916 11.3990 11.3990 11.9377 11.9377 12.6625 12.6625 13.4387 13.4387 k = 0.5000-0.0163-0.3506 ( 4182 PWs) bands (ev): -6.5285 -6.5285 -5.5459 -5.5459 -3.9820 -3.9820 -2.9025 -2.9025 -2.1253 -2.1253 -1.5787 -1.5787 0.3646 0.3646 0.7538 0.7538 1.2448 1.2448 1.7983 1.7983 2.5297 2.5297 3.2133 3.2133 3.4815 3.4815 4.0063 4.0063 4.3568 4.3568 4.5657 4.5657 4.8630 4.8630 4.9437 4.9437 5.4958 5.4958 5.6424 5.6424 6.1323 6.1323 6.5627 6.5627 6.7529 6.7529 10.4573 10.4573 11.3962 11.3962 11.9585 11.9585 12.6338 12.6338 13.4044 13.4044 k = 0.5000-0.0060-0.3639 ( 4182 PWs) bands (ev): -6.5180 -6.5180 -5.5200 -5.5200 -4.0303 -4.0303 -2.9481 -2.9481 -2.1596 -2.1596 -1.5396 -1.5396 0.3944 0.3944 0.8128 0.8128 1.2337 1.2337 1.8775 1.8775 2.4320 2.4320 3.1982 3.1982 3.5497 3.5497 3.9207 3.9207 4.4129 4.4129 4.5792 4.5792 4.8745 4.8745 4.9462 4.9462 5.5045 5.5045 5.6575 5.6575 6.1299 6.1299 6.5472 6.5472 6.6976 6.6976 10.5241 10.5241 11.3912 11.3912 11.9830 11.9830 12.5936 12.5936 13.3689 13.3689 k = 0.5000 0.0042-0.3771 ( 4182 PWs) bands (ev): -6.5078 -6.5078 -5.4932 -5.4932 -4.0747 -4.0747 -2.9930 -2.9930 -2.1943 -2.1943 -1.5073 -1.5073 0.4254 0.4254 0.8736 0.8736 1.2293 1.2293 1.9525 1.9525 2.3305 2.3305 3.1832 3.1832 3.6016 3.6016 3.8545 3.8545 4.4622 4.4622 4.5921 4.5921 4.8813 4.8813 4.9691 4.9691 5.5176 5.5176 5.6711 5.6711 6.1291 6.1291 6.5262 6.5262 6.6408 6.6408 10.5916 10.5916 11.3836 11.3836 12.0117 12.0117 12.5441 12.5441 13.3297 13.3297 k = 0.5000 0.0144-0.3904 ( 4184 PWs) bands (ev): -6.4979 -6.4979 -5.4655 -5.4655 -4.1151 -4.1151 -3.0367 -3.0367 -2.2291 -2.2291 -1.4817 -1.4817 0.4579 0.4579 0.9343 0.9343 1.2330 1.2330 2.0203 2.0203 2.2266 2.2266 3.1686 3.1686 3.6101 3.6101 3.8376 3.8376 4.5049 4.5049 4.6042 4.6042 4.8858 4.8858 5.0092 5.0092 5.5348 5.5348 5.6824 5.6824 6.1305 6.1305 6.5000 6.5000 6.5831 6.5831 10.6589 10.6589 11.3732 11.3732 12.0450 12.0450 12.4874 12.4874 13.2809 13.2809 k = 0.5000 0.0246-0.4036 ( 4184 PWs) bands (ev): -6.4886 -6.4886 -5.4370 -5.4370 -4.1513 -4.1513 -3.0790 -3.0790 -2.2639 -2.2639 -1.4631 -1.4631 0.4920 0.4920 0.9922 0.9922 1.2466 1.2466 2.0756 2.0756 2.1228 2.1228 3.1546 3.1546 3.5723 3.5723 3.8764 3.8764 4.5419 4.5419 4.6156 4.6156 4.8923 4.8923 5.0604 5.0604 5.5559 5.5559 5.6904 5.6904 6.1347 6.1347 6.4688 6.4688 6.5253 6.5253 10.7254 10.7254 11.3600 11.3600 12.0829 12.0829 12.4259 12.4259 13.2188 13.2188 k = 0.5000 0.0348-0.4168 ( 4186 PWs) bands (ev): -6.4799 -6.4799 -5.4079 -5.4079 -4.1831 -4.1831 -3.1195 -3.1195 -2.2988 -2.2988 -1.4512 -1.4512 0.5277 0.5277 1.0437 1.0437 1.2720 1.2720 2.0150 2.0150 2.1196 2.1196 3.1417 3.1417 3.5251 3.5251 3.9378 3.9378 4.5746 4.5746 4.6264 4.6264 4.9032 4.9032 5.1184 5.1184 5.5810 5.5810 5.6943 5.6943 6.1417 6.1417 6.4330 6.4330 6.4686 6.4686 10.7904 10.7904 11.3441 11.3441 12.1244 12.1244 12.3622 12.3622 13.1458 13.1458 k = 0.5000 0.0451-0.4301 ( 4186 PWs) bands (ev): -6.4721 -6.4721 -5.3784 -5.3784 -4.2104 -4.2104 -3.1580 -3.1580 -2.3335 -2.3335 -1.4458 -1.4458 0.5650 0.5650 1.0868 1.0868 1.3082 1.3082 1.9143 1.9143 2.1395 2.1395 3.1304 3.1304 3.4900 3.4900 4.0039 4.0039 4.6047 4.6047 4.6372 4.6372 4.9194 4.9194 5.1799 5.1799 5.6099 5.6099 5.6933 5.6933 6.1512 6.1512 6.3932 6.3932 6.4147 6.4147 10.8532 10.8532 11.3259 11.3259 12.1645 12.1645 12.3029 12.3029 13.0668 13.0668 k = 0.5000 0.0553-0.4433 ( 4176 PWs) bands (ev): -6.4653 -6.4653 -5.3486 -5.3486 -4.2330 -4.2330 -3.1941 -3.1941 -2.3679 -2.3679 -1.4467 -1.4467 0.6041 0.6041 1.1223 1.1223 1.3478 1.3478 1.8228 1.8228 2.1355 2.1355 3.1214 3.1214 3.4758 3.4758 4.0681 4.0681 4.6330 4.6330 4.6494 4.6494 4.9412 4.9412 5.2423 5.2423 5.6422 5.6422 5.6870 5.6870 6.1614 6.1614 6.3499 6.3499 6.3668 6.3668 10.9130 10.9130 11.3058 11.3058 12.1727 12.1727 12.2794 12.2794 12.9850 12.9850 k = 0.5000 0.0655-0.4565 ( 4172 PWs) bands (ev): -6.4595 -6.4595 -5.3187 -5.3187 -4.2507 -4.2507 -3.2276 -3.2276 -2.4020 -2.4020 -1.4536 -1.4536 0.6447 0.6447 1.1533 1.1533 1.3739 1.3739 1.7542 1.7542 2.1061 2.1061 3.1153 3.1153 3.4854 3.4854 4.1266 4.1266 4.6593 4.6593 4.6657 4.6657 4.9688 4.9688 5.3034 5.3034 5.6644 5.6644 5.6879 5.6879 6.1682 6.1682 6.3042 6.3042 6.3301 6.3301 10.9693 10.9693 11.2844 11.2844 12.1228 12.1228 12.3187 12.3187 12.9023 12.9023 k = 0.5000 0.0757-0.4698 ( 4170 PWs) bands (ev): -6.4548 -6.4548 -5.2890 -5.2890 -4.2636 -4.2636 -3.2581 -3.2581 -2.4357 -2.4357 -1.4661 -1.4661 0.6870 0.6870 1.1824 1.1824 1.3619 1.3619 1.7296 1.7296 2.0530 2.0530 3.1132 3.1132 3.5178 3.5178 4.1767 4.1767 4.6809 4.6809 4.6908 4.6908 5.0022 5.0022 5.3611 5.3611 5.6465 5.6465 5.7254 5.7254 6.1643 6.1643 6.2568 6.2568 6.3129 6.3129 11.0212 11.0212 11.2623 11.2623 12.0568 12.0568 12.3791 12.3791 12.8198 12.8198 k = 0.5000 0.0860-0.4830 ( 4170 PWs) bands (ev): -6.4514 -6.4514 -5.2597 -5.2597 -4.2714 -4.2714 -3.2855 -3.2855 -2.4689 -2.4689 -1.4839 -1.4839 0.7307 0.7307 1.2100 1.2100 1.3062 1.3062 1.7532 1.7532 1.9804 1.9804 3.1159 3.1159 3.5692 3.5692 4.2166 4.2166 4.7055 4.7055 4.7187 4.7187 5.0415 5.0415 5.4138 5.4138 5.6162 5.6162 5.7708 5.7708 6.1475 6.1475 6.2092 6.2092 6.3185 6.3185 11.0678 11.0678 11.2400 11.2400 11.9888 11.9888 12.4472 12.4472 12.7382 12.7382 k = 0.5000 0.0962-0.4963 ( 4176 PWs) bands (ev): -6.4492 -6.4492 -5.2309 -5.2309 -4.2743 -4.2743 -3.3094 -3.3094 -2.5015 -2.5015 -1.5065 -1.5065 0.7756 0.7756 1.2034 1.2034 1.2589 1.2589 1.8037 1.8037 1.8934 1.8934 3.1247 3.1247 3.6350 3.6350 4.2453 4.2453 4.7357 4.7357 4.7473 4.7473 5.0864 5.0864 5.4594 5.4594 5.5772 5.5772 5.8202 5.8202 6.1242 6.1242 6.1640 6.1640 6.3403 6.3403 11.1080 11.1080 11.2181 11.2181 11.9224 11.9224 12.5196 12.5196 12.6581 12.6581 k = 0.5000 0.1064-0.5095 ( 4172 PWs) bands (ev): -6.4483 -6.4483 -5.2030 -5.2030 -4.2720 -4.2720 -3.3297 -3.3297 -2.5334 -2.5334 -1.5336 -1.5336 0.8213 0.8213 1.1143 1.1143 1.2845 1.2845 1.7928 1.7928 1.8675 1.8675 3.1410 3.1410 3.7107 3.7107 4.2632 4.2632 4.7711 4.7711 4.7766 4.7766 5.1366 5.1366 5.4930 5.4930 5.5336 5.5336 5.8724 5.8724 6.0976 6.0976 6.1272 6.1272 6.3712 6.3712 11.1402 11.1402 11.1970 11.1970 11.8597 11.8597 12.5794 12.5794 12.5951 12.5951 k = 0.5000 0.1166-0.5227 ( 4170 PWs) bands (ev): -6.4487 -6.4487 -5.1761 -5.1761 -4.2648 -4.2648 -3.3461 -3.3461 -2.5645 -2.5645 -1.5650 -1.5650 0.8673 0.8673 1.0139 1.0139 1.3193 1.3193 1.6894 1.6894 1.9288 1.9288 3.1661 3.1661 3.7925 3.7925 4.2718 4.2718 4.8051 4.8051 4.8117 4.8117 5.1913 5.1913 5.4676 5.4676 5.5317 5.5317 5.9253 5.9253 6.0678 6.0678 6.1055 6.1055 6.4075 6.4075 11.1623 11.1623 11.1773 11.1773 11.8031 11.8031 12.5038 12.5038 12.6615 12.6615 k = 0.5000 0.1268-0.5360 ( 4166 PWs) bands (ev): -6.4504 -6.4504 -5.1504 -5.1504 -4.2526 -4.2526 -3.3584 -3.3584 -2.5948 -2.5948 -1.6002 -1.6002 0.9067 0.9067 0.9170 0.9170 1.3571 1.3571 1.5825 1.5825 1.9870 1.9870 3.2010 3.2010 3.8775 3.8775 4.2728 4.2728 4.8344 4.8344 4.8543 4.8543 5.2484 5.2484 5.4097 5.4097 5.5455 5.5455 5.9739 5.9739 6.0465 6.0465 6.0956 6.0956 6.4476 6.4476 11.1586 11.1586 11.1722 11.1722 11.7551 11.7551 12.4304 12.4304 12.5557 12.5557 k = 0.5000 0.1371-0.5492 ( 4168 PWs) bands (ev): -6.4531 -6.4531 -5.1263 -5.1263 -4.2355 -4.2355 -3.3664 -3.3664 -2.6241 -2.6241 -1.6392 -1.6392 0.8094 0.8094 0.9540 0.9540 1.3970 1.3970 1.4776 1.4776 2.0390 2.0390 3.2468 3.2468 3.9630 3.9630 4.2677 4.2677 4.8629 4.8629 4.8990 4.8990 5.2933 5.2933 5.3610 5.3610 5.5467 5.5467 5.9986 5.9986 6.0573 6.0573 6.0957 6.0957 6.4903 6.4903 11.1422 11.1422 11.1668 11.1668 11.7182 11.7182 12.3600 12.3600 12.4405 12.4405 k = 0.7018 0.2790-0.0063 ( 4168 PWs) bands (ev): -6.4531 -6.4531 -5.1263 -5.1263 -4.2355 -4.2355 -3.3664 -3.3664 -2.6241 -2.6241 -1.6392 -1.6392 0.8094 0.8094 0.9540 0.9540 1.3970 1.3970 1.4776 1.4776 2.0390 2.0390 3.2468 3.2468 3.9630 3.9630 4.2677 4.2677 4.8629 4.8629 4.8989 4.8989 5.2933 5.2933 5.3610 5.3610 5.5467 5.5467 5.9986 5.9986 6.0573 6.0573 6.0957 6.0957 6.4903 6.4903 11.1422 11.1422 11.1668 11.1668 11.7182 11.7182 12.3600 12.3600 12.4405 12.4405 k = 0.6922 0.2824 0.0070 ( 4162 PWs) bands (ev): -6.4570 -6.4570 -5.1038 -5.1038 -4.2137 -4.2137 -3.3702 -3.3702 -2.6524 -2.6524 -1.6816 -1.6816 0.7095 0.7095 0.9852 0.9852 1.3814 1.3814 1.4398 1.4398 2.0831 2.0831 3.3034 3.3034 4.0468 4.0468 4.2580 4.2580 4.8898 4.8898 4.9448 4.9448 5.2564 5.2564 5.3928 5.3928 5.5340 5.5340 6.0037 6.0037 6.0840 6.0840 6.1181 6.1181 6.5350 6.5350 11.1275 11.1275 11.1454 11.1454 11.6931 11.6931 12.2926 12.2926 12.3277 12.3277 k = 0.6826 0.2859 0.0202 ( 4160 PWs) bands (ev): -6.4618 -6.4618 -5.0831 -5.0831 -4.1873 -4.1873 -3.3695 -3.3695 -2.6796 -2.6796 -1.7272 -1.7272 0.6121 0.6121 0.9918 0.9918 1.3117 1.3117 1.4834 1.4834 2.1189 2.1189 3.3705 3.3705 4.1267 4.1267 4.2452 4.2452 4.9140 4.9140 4.9907 4.9907 5.1887 5.1887 5.4545 5.4545 5.5109 5.5109 6.0146 6.0146 6.0972 6.0972 6.1646 6.1646 6.5810 6.5810 11.1074 11.1074 11.1163 11.1163 11.6786 11.6786 12.2152 12.2152 12.2317 12.2317 k = 0.6730 0.2893 0.0334 ( 4164 PWs) bands (ev): -6.4675 -6.4675 -5.0644 -5.0644 -4.1564 -4.1564 -3.3646 -3.3646 -2.7057 -2.7057 -1.7760 -1.7760 0.5178 0.5178 0.9539 0.9539 1.2876 1.2876 1.5287 1.5287 2.1468 2.1468 3.4472 3.4472 4.1953 4.1953 4.2360 4.2360 4.9339 4.9339 5.0316 5.0316 5.1232 5.1232 5.4746 5.4746 5.5262 5.5262 6.0341 6.0341 6.1119 6.1119 6.2139 6.2139 6.6278 6.6278 11.0585 11.0585 11.1054 11.1054 11.6711 11.6711 12.1114 12.1114 12.1710 12.1710 k = 0.6634 0.2928 0.0466 ( 4166 PWs) bands (ev): -6.4738 -6.4738 -5.0476 -5.0476 -4.1213 -4.1213 -3.3553 -3.3553 -2.7306 -2.7306 -1.8277 -1.8277 0.4272 0.4272 0.8759 0.8759 1.3059 1.3059 1.5751 1.5751 2.1675 2.1675 3.5317 3.5317 4.2001 4.2001 4.2820 4.2820 4.9467 4.9467 5.0210 5.0210 5.1093 5.1093 5.4440 5.4440 5.5921 5.5921 6.0602 6.0602 6.1306 6.1306 6.2616 6.2616 6.6750 6.6750 10.9994 10.9994 11.0973 11.0973 11.6653 11.6653 12.0138 12.0138 12.1156 12.1156 k = 0.6538 0.2962 0.0599 ( 4166 PWs) bands (ev): -6.4807 -6.4807 -5.0329 -5.0329 -4.0821 -4.0821 -3.3420 -3.3420 -2.7542 -2.7542 -1.8824 -1.8824 0.3405 0.3405 0.7783 0.7783 1.3464 1.3464 1.6224 1.6224 2.1824 2.1824 3.6225 3.6225 4.1789 4.1789 4.3450 4.3450 4.9431 4.9431 4.9633 4.9633 5.1503 5.1503 5.4168 5.4168 5.6594 5.6594 6.0907 6.0907 6.1535 6.1535 6.3064 6.3064 6.7220 6.7220 10.9334 10.9334 11.0915 11.0915 11.6544 11.6544 11.9284 11.9284 12.0649 12.0649 k = 0.6442 0.2997 0.0731 ( 4158 PWs) bands (ev): -6.4880 -6.4880 -5.0201 -5.0201 -4.0390 -4.0390 -3.3249 -3.3249 -2.7765 -2.7765 -1.9397 -1.9397 0.2583 0.2583 0.6739 0.6739 1.3968 1.3968 1.6703 1.6703 2.1924 2.1924 3.7176 3.7176 4.1534 4.1534 4.4030 4.4030 4.8830 4.8830 4.9452 4.9452 5.1972 5.1972 5.3988 5.3988 5.7267 5.7267 6.1240 6.1240 6.1802 6.1802 6.3478 6.3478 6.7685 6.7685 10.8629 10.8629 11.0879 11.0879 11.6285 11.6285 11.8634 11.8634 12.0188 12.0188 k = 0.6345 0.3031 0.0863 ( 4162 PWs) bands (ev): -6.4956 -6.4956 -5.0093 -5.0093 -3.9923 -3.9923 -3.3043 -3.3043 -2.7974 -2.7974 -1.9997 -1.9997 0.1807 0.1807 0.5679 0.5679 1.4522 1.4522 1.7182 1.7182 2.1989 2.1989 3.8151 3.8151 4.1246 4.1246 4.4547 4.4547 4.8159 4.8159 4.9227 4.9227 5.2437 5.2437 5.3929 5.3929 5.7938 5.7938 6.1590 6.1590 6.2103 6.2103 6.3853 6.3853 6.8138 6.8138 10.7895 10.7895 11.0863 11.0863 11.5805 11.5805 11.8251 11.8251 11.9776 11.9776 k = 0.6249 0.3066 0.0995 ( 4166 PWs) bands (ev): -6.5033 -6.5033 -5.0002 -5.0002 -3.9421 -3.9421 -3.2808 -3.2808 -2.8168 -2.8168 -2.0621 -2.0621 0.1080 0.1080 0.4630 0.4630 1.5102 1.5102 1.7657 1.7657 2.2028 2.2028 3.9123 3.9123 4.0935 4.0935 4.4999 4.4999 4.7522 4.7522 4.8886 4.8886 5.2882 5.2882 5.3988 5.3988 5.8607 5.8607 6.1946 6.1946 6.2431 6.2431 6.4189 6.4189 6.8575 6.8575 10.7145 10.7145 11.0868 11.0868 11.5152 11.5152 11.8083 11.8083 11.9414 11.9414 k = 0.6153 0.3101 0.1128 ( 4162 PWs) bands (ev): -6.5110 -6.5110 -4.9927 -4.9927 -3.8887 -3.8887 -3.2548 -3.2548 -2.8347 -2.8347 -2.1269 -2.1269 0.0403 0.0403 0.3608 0.3608 1.5696 1.5696 1.8123 1.8123 2.2050 2.2050 4.0001 4.0001 4.0677 4.0677 4.5381 4.5381 4.6941 4.6941 4.8458 4.8458 5.3298 5.3298 5.4143 5.4143 5.9274 5.9274 6.2303 6.2303 6.2776 6.2776 6.4482 6.4482 6.8990 6.8990 10.6389 10.6389 11.0892 11.0892 11.4428 11.4428 11.8026 11.8026 11.9101 11.9101 k = 0.6057 0.3135 0.1260 ( 4166 PWs) bands (ev): -6.5186 -6.5186 -4.9868 -4.9868 -3.8323 -3.8323 -3.2269 -3.2269 -2.8510 -2.8510 -2.1938 -2.1938 -0.0222 -0.0222 0.2623 0.2623 1.6294 1.6294 1.8573 1.8573 2.2066 2.2066 4.0049 4.0049 4.1189 4.1189 4.5664 4.5664 4.6458 4.6458 4.7980 4.7980 5.3678 5.3678 5.4366 5.4366 5.9937 5.9937 6.2656 6.2656 6.3130 6.3130 6.4733 6.4733 6.9380 6.9380 10.5638 10.5638 11.0934 11.0934 11.3700 11.3700 11.8016 11.8016 11.8836 11.8836 k = 0.5961 0.3170 0.1392 ( 4166 PWs) bands (ev): -6.5259 -6.5259 -4.9821 -4.9821 -3.7733 -3.7733 -3.1979 -3.1979 -2.8655 -2.8655 -2.2627 -2.2627 -0.0793 -0.0793 0.1685 0.1685 1.6890 1.6890 1.8999 1.8999 2.2084 2.2084 3.9656 3.9656 4.2070 4.2070 4.5665 4.5665 4.6258 4.6258 4.7490 4.7490 5.4021 5.4021 5.4633 5.4633 6.0590 6.0590 6.2998 6.2998 6.3484 6.3484 6.4942 6.4942 6.9739 6.9739 10.4901 10.4901 11.0992 11.0992 11.3000 11.3000 11.8023 11.8023 11.8618 11.8618 k = 0.5865 0.3204 0.1524 ( 4162 PWs) bands (ev): -6.5328 -6.5328 -4.9785 -4.9785 -3.7117 -3.7117 -3.1686 -3.1686 -2.8781 -2.8781 -2.3332 -2.3332 -0.1311 -0.1311 0.0802 0.0802 1.7476 1.7476 1.9392 1.9392 2.2111 2.2111 3.9208 3.9208 4.2922 4.2922 4.5352 4.5352 4.6343 4.6343 4.7051 4.7051 5.4324 5.4324 5.4927 5.4927 6.1227 6.1227 6.3326 6.3326 6.3828 6.3828 6.5110 6.5110 7.0064 7.0064 10.4188 10.4188 11.1064 11.1064 11.2344 11.2344 11.8034 11.8034 11.8443 11.8443 k = 0.5769 0.3239 0.1657 ( 4164 PWs) bands (ev): -6.5393 -6.5393 -4.9759 -4.9759 -3.6480 -3.6480 -3.1400 -3.1400 -2.8887 -2.8887 -2.4051 -2.4051 -0.1775 -0.1775 -0.0018 -0.0018 1.8045 1.8045 1.9741 1.9741 2.2156 2.2156 3.8738 3.8738 4.3699 4.3699 4.5021 4.5021 4.6248 4.6248 4.6870 4.6870 5.4587 5.4587 5.5237 5.5237 6.1839 6.1839 6.3637 6.3637 6.4152 6.4152 6.5240 6.5240 7.0352 7.0352 10.3509 10.3509 11.1148 11.1148 11.1744 11.1744 11.8042 11.8042 11.8307 11.8307 k = 0.5673 0.3273 0.1789 ( 4162 PWs) bands (ev): -6.5452 -6.5452 -4.9740 -4.9740 -3.5825 -3.5825 -3.1129 -3.1129 -2.8970 -2.8970 -2.4780 -2.4780 -0.2187 -0.2187 -0.0766 -0.0766 1.8587 1.8587 2.0038 2.0038 2.2226 2.2226 3.8262 3.8262 4.4334 4.4334 4.4747 4.4747 4.5938 4.5938 4.6966 4.6966 5.4810 5.4810 5.5552 5.5552 6.2415 6.2415 6.3927 6.3927 6.4449 6.4449 6.5336 6.5336 7.0602 7.0602 10.2876 10.2876 11.1198 11.1198 11.1246 11.1246 11.8046 11.8046 11.8206 11.8206 k = 0.5577 0.3308 0.1921 ( 4158 PWs) bands (ev): -6.5505 -6.5505 -4.9727 -4.9727 -3.5156 -3.5156 -3.0885 -3.0885 -2.9028 -2.9028 -2.5514 -2.5514 -0.2547 -0.2547 -0.1433 -0.1433 1.9094 1.9094 2.0274 2.0274 2.2323 2.2323 3.7798 3.7798 4.4435 4.4435 4.4779 4.4779 4.5783 4.5783 4.7115 4.7115 5.4996 5.4996 5.5862 5.5862 6.2942 6.2942 6.4195 6.4195 6.4710 6.4710 6.5404 6.5404 7.0812 7.0812 10.2299 10.2299 11.0728 11.0728 11.1339 11.1339 11.8046 11.8046 11.8134 11.8134 k = 0.5481 0.3343 0.2053 ( 4154 PWs) bands (ev): -6.5550 -6.5550 -4.9719 -4.9719 -3.4478 -3.4478 -3.0678 -3.0678 -2.9059 -2.9059 -2.6248 -2.6248 -0.2857 -0.2857 -0.2008 -0.2008 1.9554 1.9554 2.0450 2.0450 2.2443 2.2443 3.7362 3.7362 4.4245 4.4245 4.4701 4.4701 4.6005 4.6005 4.7266 4.7266 5.5148 5.5148 5.6156 5.6156 6.3407 6.3407 6.4441 6.4441 6.4928 6.4928 6.5450 6.5450 7.0983 7.0983 10.1787 10.1787 11.0321 11.0321 11.1435 11.1435 11.8043 11.8043 11.8085 11.8085 k = 0.5384 0.3377 0.2186 ( 4148 PWs) bands (ev): -6.5588 -6.5588 -4.9714 -4.9714 -3.3802 -3.3802 -3.0514 -3.0514 -2.9065 -2.9065 -2.6971 -2.6971 -0.3122 -0.3122 -0.2480 -0.2480 1.9955 1.9955 2.0572 2.0572 2.2572 2.2572 3.6973 3.6973 4.4079 4.4079 4.4463 4.4463 4.6344 4.6344 4.7415 4.7415 5.5268 5.5268 5.6421 5.6421 6.3794 6.3794 6.4667 6.4667 6.5096 6.5096 6.5483 6.5483 7.1117 7.1117 10.1353 10.1353 10.9985 10.9985 11.1525 11.1525 11.8038 11.8038 11.8054 11.8054 k = 0.5288 0.3412 0.2318 ( 4146 PWs) bands (ev): -6.5619 -6.5619 -4.9711 -4.9711 -3.3144 -3.3144 -3.0396 -3.0396 -2.9051 -2.9051 -2.7667 -2.7667 -0.3345 -0.3345 -0.2839 -0.2839 2.0285 2.0285 2.0653 2.0653 2.2694 2.2694 3.6647 3.6647 4.3940 4.3940 4.4243 4.4243 4.6622 4.6622 4.7558 4.7558 5.5359 5.5359 5.6646 5.6646 6.4090 6.4090 6.4874 6.4874 6.5210 6.5210 6.5506 6.5506 7.1216 7.1216 10.1004 10.1004 10.9722 10.9722 11.1603 11.1603 11.8031 11.8031 11.8037 11.8037 k = 0.5192 0.3446 0.2450 ( 4146 PWs) bands (ev): -6.5640 -6.5640 -4.9709 -4.9709 -3.2536 -3.2536 -3.0320 -3.0320 -2.9027 -2.9027 -2.8301 -2.8301 -0.3523 -0.3523 -0.3081 -0.3081 2.0532 2.0532 2.0702 2.0702 2.2794 2.2794 3.6401 3.6401 4.3827 4.3827 4.4086 4.4086 4.6808 4.6808 4.7685 4.7685 5.5423 5.5423 5.6817 5.6817 6.4290 6.4290 6.5057 6.5057 6.5276 6.5276 6.5518 6.5518 7.1284 7.1284 10.0749 10.0749 10.9533 10.9533 11.1663 11.1663 11.8025 11.8025 11.8029 11.8029 k = 0.5096 0.3481 0.2582 ( 4144 PWs) bands (ev): -6.5653 -6.5653 -4.9709 -4.9709 -3.2058 -3.2058 -3.0279 -3.0279 -2.9008 -2.9008 -2.8795 -2.8795 -0.3642 -0.3642 -0.3216 -0.3216 2.0685 2.0685 2.0728 2.0728 2.2859 2.2859 3.6248 3.6248 4.3749 4.3749 4.3999 4.3999 4.6911 4.6911 4.7773 4.7773 5.5461 5.5461 5.6925 5.6925 6.4402 6.4402 6.5198 6.5198 6.5309 6.5309 6.5512 6.5512 7.1323 7.1323 10.0593 10.0593 10.9419 10.9419 11.1701 11.1701 11.8021 11.8021 11.8026 11.8026 k = 0.5000 0.3515 0.2715 ( 4144 PWs) bands (ev): -6.5658 -6.5658 -4.9709 -4.9709 -3.1861 -3.1861 -3.0266 -3.0266 -2.9016 -2.9016 -2.8981 -2.8981 -0.3684 -0.3684 -0.3259 -0.3259 2.0736 2.0736 2.0737 2.0737 2.2881 2.2881 3.6195 3.6195 4.3720 4.3720 4.3972 4.3972 4.6943 4.6943 4.7805 4.7805 5.5474 5.5474 5.6961 5.6961 6.4437 6.4437 6.5256 6.5256 6.5319 6.5319 6.5502 6.5502 7.1336 7.1336 10.0541 10.0541 10.9381 10.9381 11.1714 11.1714 11.8020 11.8020 11.8024 11.8024 k = 0.5000 0.3515 0.2715 ( 4144 PWs) bands (ev): -6.5658 -6.5658 -4.9709 -4.9709 -3.1861 -3.1861 -3.0266 -3.0266 -2.9016 -2.9016 -2.8981 -2.8981 -0.3684 -0.3684 -0.3259 -0.3259 2.0736 2.0736 2.0737 2.0737 2.2881 2.2881 3.6195 3.6195 4.3720 4.3720 4.3972 4.3972 4.6943 4.6943 4.7805 4.7805 5.5474 5.5474 5.6961 5.6961 6.4437 6.4437 6.5256 6.5256 6.5319 6.5319 6.5502 6.5502 7.1336 7.1336 10.0541 10.0541 10.9381 10.9381 11.1714 11.1714 11.8020 11.8020 11.8024 11.8024 k = 0.4875 0.3427 0.2647 ( 4147 PWs) bands (ev): -6.5676 -6.5676 -4.9695 -4.9695 -3.1853 -3.1853 -3.0244 -3.0244 -2.9013 -2.9013 -2.8977 -2.8977 -0.3671 -0.3671 -0.3246 -0.3246 2.0682 2.0682 2.0683 2.0683 2.2802 2.2802 3.6290 3.6290 4.3776 4.3776 4.4033 4.4033 4.6934 4.6934 4.7790 4.7790 5.5414 5.5414 5.6952 5.6952 6.4416 6.4416 6.5209 6.5209 6.5258 6.5258 6.5593 6.5593 7.1303 7.1303 10.0592 10.0592 10.9343 10.9343 11.1747 11.1747 11.8032 11.8032 11.8036 11.8036 k = 0.4750 0.3340 0.2579 ( 4147 PWs) bands (ev): -6.5729 -6.5729 -4.9655 -4.9655 -3.1830 -3.1830 -3.0181 -3.0181 -2.9004 -2.9004 -2.8968 -2.8968 -0.3633 -0.3633 -0.3207 -0.3207 2.0522 2.0522 2.0522 2.0522 2.2569 2.2569 3.6567 3.6567 4.3937 4.3937 4.4212 4.4212 4.6912 4.6912 4.7747 4.7747 5.5235 5.5235 5.6924 5.6924 6.4348 6.4348 6.5016 6.5016 6.5267 6.5267 6.5728 6.5728 7.1203 7.1203 10.0744 10.0744 10.9230 10.9230 11.1845 11.1845 11.8066 11.8066 11.8071 11.8071 k = 0.4625 0.3252 0.2511 ( 4144 PWs) bands (ev): -6.5817 -6.5817 -4.9588 -4.9588 -3.1789 -3.1789 -3.0076 -3.0076 -2.8988 -2.8988 -2.8951 -2.8951 -0.3568 -0.3568 -0.3143 -0.3143 2.0262 2.0262 2.0263 2.0263 2.2205 2.2205 3.7005 3.7005 4.4188 4.4188 4.4501 4.4501 4.6886 4.6886 4.7680 4.7680 5.4941 5.4941 5.6877 5.6877 6.4227 6.4227 6.4785 6.4785 6.5293 6.5293 6.5864 6.5864 7.1038 7.1038 10.0992 10.0992 10.9045 10.9045 11.2008 11.2008 11.8121 11.8121 11.8127 11.8127 k = 0.4500 0.3164 0.2443 ( 4162 PWs) bands (ev): -6.5937 -6.5937 -4.9498 -4.9498 -3.1731 -3.1731 -2.9932 -2.9932 -2.8965 -2.8965 -2.8929 -2.8929 -0.3478 -0.3478 -0.3053 -0.3053 1.9909 1.9909 1.9912 1.9912 2.1735 2.1735 3.7577 3.7577 4.4497 4.4497 4.4881 4.4881 4.6880 4.6880 4.7598 4.7598 5.4538 5.4538 5.6812 5.6812 6.4047 6.4047 6.4517 6.4517 6.5341 6.5341 6.6002 6.6002 7.0808 7.0808 10.1329 10.1329 10.8793 10.8793 11.2235 11.2235 11.8196 11.8196 11.8202 11.8202 k = 0.4375 0.3076 0.2375 ( 4162 PWs) bands (ev): -6.6087 -6.6087 -4.9385 -4.9385 -3.1654 -3.1654 -2.9751 -2.9751 -2.8936 -2.8936 -2.8899 -2.8899 -0.3362 -0.3362 -0.2937 -0.2937 1.9475 1.9475 1.9480 1.9480 2.1187 2.1187 3.8252 3.8252 4.4805 4.4805 4.5317 4.5317 4.6942 4.6942 4.7526 4.7526 5.4033 5.4033 5.6730 5.6730 6.3808 6.3808 6.4212 6.4212 6.5413 6.5413 6.6144 6.6144 7.0517 7.0517 10.1745 10.1745 10.8485 10.8485 11.2525 11.2525 11.8285 11.8285 11.8293 11.8293 k = 0.4250 0.2988 0.2308 ( 4174 PWs) bands (ev): -6.6266 -6.6266 -4.9253 -4.9253 -3.1557 -3.1557 -2.9536 -2.9536 -2.8901 -2.8901 -2.8864 -2.8864 -0.3221 -0.3221 -0.2797 -0.2797 1.8972 1.8972 1.8978 1.8978 2.0585 2.0585 3.9004 3.9004 4.5022 4.5022 4.5737 4.5737 4.7150 4.7150 4.7525 4.7525 5.3437 5.3437 5.6631 5.6631 6.3514 6.3514 6.3869 6.3869 6.5509 6.5509 6.6293 6.6293 7.0165 7.0165 10.2225 10.2225 10.8135 10.8135 11.2879 11.2879 11.8386 11.8386 11.8395 11.8395 k = 0.4125 0.2900 0.2240 ( 4162 PWs) bands (ev): -6.6469 -6.6469 -4.9103 -4.9103 -3.1440 -3.1440 -2.9288 -2.9288 -2.8860 -2.8860 -2.8822 -2.8822 -0.3056 -0.3056 -0.2632 -0.2632 1.8411 1.8411 1.8419 1.8419 1.9952 1.9952 3.9807 3.9807 4.5081 4.5081 4.6002 4.6002 4.7562 4.7562 4.7723 4.7723 5.2760 5.2760 5.6516 5.6516 6.3171 6.3171 6.3490 6.3490 6.5626 6.5626 6.6450 6.6450 6.9754 6.9754 10.2747 10.2747 10.7766 10.7766 11.3294 11.3294 11.8496 11.8496 11.8506 11.8506 k = 0.4000 0.2812 0.2172 ( 4150 PWs) bands (ev): -6.6693 -6.6693 -4.8940 -4.8940 -3.1303 -3.1303 -2.9011 -2.9011 -2.8812 -2.8812 -2.8773 -2.8773 -0.2868 -0.2868 -0.2444 -0.2444 1.7803 1.7803 1.7813 1.7813 1.9305 1.9305 4.0637 4.0637 4.4990 4.4990 4.6015 4.6015 4.8157 4.8157 4.8205 4.8205 5.2018 5.2018 5.6387 5.6387 6.2784 6.2784 6.3079 6.3079 6.5760 6.5760 6.6615 6.6615 6.9288 6.9288 10.3275 10.3275 10.7420 10.7420 11.3769 11.3769 11.8608 11.8608 11.8621 11.8621 k = 0.3875 0.2724 0.2104 ( 4156 PWs) bands (ev): -6.6937 -6.6937 -4.8764 -4.8764 -3.1146 -3.1146 -2.8760 -2.8760 -2.8718 -2.8718 -2.8702 -2.8702 -0.2656 -0.2656 -0.2233 -0.2233 1.7158 1.7158 1.7170 1.7170 1.8657 1.8657 4.1469 4.1469 4.4794 4.4794 4.5845 4.5845 4.8882 4.8882 4.8892 4.8892 5.1228 5.1228 5.6245 5.6245 6.2361 6.2361 6.2640 6.2640 6.5908 6.5908 6.6790 6.6790 6.8766 6.8766 10.3743 10.3743 10.7168 10.7168 11.4304 11.4304 11.8720 11.8720 11.8735 11.8735 k = 0.3750 0.2637 0.2036 ( 4162 PWs) bands (ev): -6.7196 -6.7196 -4.8579 -4.8579 -3.0971 -3.0971 -2.8698 -2.8698 -2.8657 -2.8657 -2.8370 -2.8370 -0.2422 -0.2422 -0.1999 -0.1999 1.6485 1.6485 1.6500 1.6500 1.8019 1.8019 4.2272 4.2272 4.4526 4.4526 4.5574 4.5574 4.9692 4.9692 4.9693 4.9693 5.0418 5.0418 5.6091 5.6091 6.1908 6.1908 6.2177 6.2177 6.6066 6.6066 6.6972 6.6972 6.8194 6.8194 10.4039 10.4039 10.7128 10.7128 11.4896 11.4896 11.8828 11.8828 11.8845 11.8845 k = 0.3625 0.2549 0.1968 ( 4168 PWs) bands (ev): -6.7468 -6.7468 -4.8388 -4.8388 -3.0780 -3.0780 -2.8632 -2.8632 -2.8590 -2.8590 -2.8012 -2.8012 -0.2166 -0.2166 -0.1744 -0.1744 1.5794 1.5794 1.5810 1.5810 1.7401 1.7401 4.2995 4.2995 4.4213 4.4213 4.5238 4.5238 4.9629 4.9629 5.0559 5.0559 5.0562 5.0562 5.5926 5.5926 6.1433 6.1433 6.1698 6.1698 6.6225 6.6225 6.7163 6.7163 6.7578 6.7578 10.4070 10.4070 10.7402 10.7402 11.5545 11.5545 11.8928 11.8928 11.8948 11.8948 k = 0.3500 0.2461 0.1900 ( 4162 PWs) bands (ev): -6.7749 -6.7749 -4.8191 -4.8191 -3.0574 -3.0574 -2.8560 -2.8560 -2.8517 -2.8517 -2.7630 -2.7630 -0.1891 -0.1891 -0.1470 -0.1470 1.5091 1.5091 1.5109 1.5109 1.6811 1.6811 4.3494 4.3494 4.3930 4.3930 4.4854 4.4854 4.8939 4.8939 5.1467 5.1467 5.1470 5.1470 5.5752 5.5752 6.0945 6.0945 6.1209 6.1209 6.6333 6.6333 6.6969 6.6969 6.7359 6.7359 10.3876 10.3876 10.7960 10.7960 11.6248 11.6248 11.9019 11.9019 11.9042 11.9042 k = 0.3375 0.2373 0.1832 ( 4162 PWs) bands (ev): -6.8038 -6.8038 -4.7992 -4.7992 -3.0356 -3.0356 -2.8482 -2.8482 -2.8438 -2.8438 -2.7225 -2.7225 -0.1597 -0.1597 -0.1177 -0.1177 1.4383 1.4383 1.4403 1.4403 1.6256 1.6256 4.3326 4.3326 4.3987 4.3987 4.4428 4.4428 4.8483 4.8483 5.2399 5.2399 5.2401 5.2401 5.5570 5.5570 6.0453 6.0453 6.0720 6.0720 6.6001 6.6001 6.6757 6.6757 6.7561 6.7561 10.3570 10.3570 10.8699 10.8699 11.7004 11.7004 11.9099 11.9099 11.9124 11.9124 k = 0.3250 0.2285 0.1765 ( 4168 PWs) bands (ev): -6.8331 -6.8331 -4.7790 -4.7790 -3.0130 -3.0130 -2.8399 -2.8399 -2.8354 -2.8354 -2.6800 -2.6800 -0.1287 -0.1287 -0.0867 -0.0867 1.3677 1.3677 1.3699 1.3699 1.5741 1.5741 4.2892 4.2892 4.3841 4.3841 4.3966 4.3966 4.8407 4.8407 5.3337 5.3337 5.3339 5.3339 5.5382 5.5382 5.9971 5.9971 6.0243 6.0243 6.5269 6.5269 6.6899 6.6899 6.7767 6.7767 10.3235 10.3235 10.9544 10.9544 11.7811 11.7811 11.9166 11.9166 11.9194 11.9194 k = 0.3125 0.2197 0.1697 ( 4180 PWs) bands (ev): -6.8627 -6.8627 -4.7589 -4.7589 -2.9898 -2.9898 -2.8310 -2.8310 -2.8264 -2.8264 -2.6355 -2.6355 -0.0962 -0.0962 -0.0544 -0.0544 1.2978 1.2978 1.3001 1.3001 1.5272 1.5272 4.2392 4.2392 4.3310 4.3310 4.3469 4.3469 4.8696 4.8696 5.4258 5.4258 5.4260 5.4260 5.5189 5.5189 5.9521 5.9521 5.9799 5.9799 6.4449 6.4449 6.7088 6.7088 6.7976 6.7976 10.2920 10.2920 11.0456 11.0456 11.8667 11.8667 11.9221 11.9221 11.9252 11.9252 k = 0.3000 0.2109 0.1629 ( 4183 PWs) bands (ev): -6.8923 -6.8923 -4.7387 -4.7387 -2.9664 -2.9664 -2.8216 -2.8216 -2.8169 -2.8169 -2.5892 -2.5892 -0.0625 -0.0625 -0.0209 -0.0209 1.2292 1.2292 1.2317 1.2317 1.4852 1.4852 4.1819 4.1819 4.2550 4.2550 4.2940 4.2940 4.9197 4.9197 5.4992 5.4992 5.5114 5.5114 5.5126 5.5126 5.9147 5.9147 5.9425 5.9425 6.3577 6.3577 6.7289 6.7289 6.8186 6.8186 10.2654 10.2654 11.1412 11.1412 11.9265 11.9265 11.9298 11.9298 11.9572 11.9572 k = 0.2875 0.2021 0.1561 ( 4177 PWs) bands (ev): -6.9218 -6.9218 -4.7188 -4.7188 -2.9431 -2.9431 -2.8118 -2.8118 -2.8070 -2.8070 -2.5412 -2.5412 -0.0280 -0.0280 0.0134 0.0134 1.1625 1.1625 1.1653 1.1653 1.4487 1.4487 4.1115 4.1115 4.1751 4.1751 4.2379 4.2379 4.9780 4.9780 5.4793 5.4793 5.5813 5.5813 5.5856 5.5856 5.8943 5.8943 5.9202 5.9202 6.2664 6.2664 6.7494 6.7494 6.8397 6.8397 10.2455 10.2455 11.2401 11.2401 11.9299 11.9299 11.9334 11.9334 12.0523 12.0523 k = 0.2750 0.1933 0.1493 ( 4177 PWs) bands (ev): -6.9509 -6.9509 -4.6990 -4.6990 -2.9203 -2.9203 -2.8015 -2.8015 -2.7965 -2.7965 -2.4917 -2.4917 0.0068 0.0068 0.0480 0.0480 1.0984 1.0984 1.1015 1.1015 1.4178 1.4178 4.0223 4.0223 4.1039 4.1039 4.1790 4.1790 5.0371 5.0371 5.4593 5.4593 5.6188 5.6188 5.6303 5.6303 5.9074 5.9074 5.9274 5.9274 6.1723 6.1723 6.7700 6.7700 6.8607 6.8607 10.2338 10.2338 11.3414 11.3414 11.9323 11.9323 11.9361 11.9361 12.1518 12.1518 k = 0.2625 0.1846 0.1425 ( 4177 PWs) bands (ev): -6.9796 -6.9796 -4.6794 -4.6794 -2.8982 -2.8982 -2.7908 -2.7908 -2.7857 -2.7857 -2.4410 -2.4410 0.0415 0.0415 0.0822 0.0822 1.0376 1.0376 1.0412 1.0412 1.3929 1.3929 3.9212 3.9212 4.0383 4.0383 4.1173 4.1173 5.0924 5.0924 5.4393 5.4393 5.6175 5.6175 5.6375 5.6375 5.9602 5.9602 5.9731 5.9731 6.0768 6.0768 6.7906 6.7906 6.8816 6.8816 10.2312 10.2312 11.4441 11.4441 11.9342 11.9342 11.9381 11.9381 12.2556 12.2556 k = 0.2500 0.1758 0.1357 ( 4180 PWs) bands (ev): -7.0077 -7.0077 -4.6602 -4.6602 -2.8772 -2.8772 -2.7798 -2.7798 -2.7746 -2.7746 -2.3891 -2.3891 0.0752 0.0752 0.1153 0.1153 0.9810 0.9810 0.9852 0.9852 1.3742 1.3742 3.8155 3.8155 3.9735 3.9735 4.0531 4.0531 5.1400 5.1400 5.4195 5.4195 5.5922 5.5922 5.6184 5.6184 5.9819 5.9819 6.0380 6.0380 6.0462 6.0462 6.8110 6.8110 6.9021 6.9021 10.2382 10.2382 11.5479 11.5479 11.9356 11.9356 11.9396 11.9396 12.3635 12.3635 k = 0.2375 0.1670 0.1289 ( 4171 PWs) bands (ev): -7.0350 -7.0350 -4.6413 -4.6413 -2.8576 -2.8576 -2.7684 -2.7684 -2.7631 -2.7631 -2.3363 -2.3363 0.1070 0.1070 0.1463 0.1463 0.9296 0.9296 0.9348 0.9348 1.3618 1.3618 3.7087 3.7087 3.9076 3.9076 3.9866 3.9866 5.1758 5.1758 5.4000 5.4000 5.5572 5.5572 5.5873 5.5873 5.8919 5.8919 6.1261 6.1261 6.1319 6.1319 6.8311 6.8311 6.9222 6.9222 10.2554 10.2554 11.6519 11.6519 11.9369 11.9369 11.9410 11.9410 12.4754 12.4754 k = 0.2250 0.1582 0.1222 ( 4177 PWs) bands (ev): -7.0614 -7.0614 -4.6227 -4.6227 -2.8395 -2.8395 -2.7568 -2.7568 -2.7514 -2.7514 -2.2828 -2.2828 0.1357 0.1357 0.1736 0.1736 0.8849 0.8849 0.8913 0.8913 1.3557 1.3557 3.6024 3.6024 3.8404 3.8404 3.9182 3.9182 5.1940 5.1940 5.3809 5.3809 5.5187 5.5187 5.5520 5.5520 5.8118 5.8118 6.2181 6.2181 6.2225 6.2225 6.8507 6.8507 6.9419 6.9419 10.2828 10.2828 11.7555 11.7555 11.9382 11.9382 11.9423 11.9423 12.5910 12.5910 k = 0.2125 0.1494 0.1154 ( 4177 PWs) bands (ev): -7.0869 -7.0869 -4.6046 -4.6046 -2.8232 -2.8232 -2.7451 -2.7451 -2.7396 -2.7396 -2.2288 -2.2288 0.1596 0.1596 0.1958 0.1958 0.8482 0.8482 0.8565 0.8565 1.3558 1.3558 3.4979 3.4979 3.7717 3.7717 3.8481 3.8481 5.1872 5.1872 5.3622 5.3622 5.4798 5.4798 5.5156 5.5156 5.7494 5.7494 6.3109 6.3109 6.3143 6.3143 6.8698 6.8698 6.9610 6.9610 10.3204 10.3204 11.8575 11.8575 11.9402 11.9402 11.9438 11.9438 12.7103 12.7103 k = 0.2000 0.1406 0.1086 ( 4177 PWs) bands (ev): -7.1114 -7.1114 -4.5870 -4.5870 -2.8087 -2.8087 -2.7333 -2.7333 -2.7277 -2.7277 -2.1748 -2.1748 0.1773 0.1773 0.2111 0.2111 0.8214 0.8214 0.8320 0.8320 1.3621 1.3621 3.3961 3.3961 3.7019 3.7019 3.7767 3.7767 5.1500 5.1500 5.3441 5.3441 5.4416 5.4416 5.4797 5.4797 5.7105 5.7105 6.4027 6.4027 6.4055 6.4055 6.8883 6.8883 6.9794 6.9794 10.3679 10.3679 11.9376 11.9376 11.9458 11.9458 11.9625 11.9625 12.8330 12.8330 k = 0.1875 0.1318 0.1018 ( 4180 PWs) bands (ev): -7.1347 -7.1347 -4.5698 -4.5698 -2.7962 -2.7962 -2.7214 -2.7214 -2.7157 -2.7157 -2.1208 -2.1208 0.1872 0.1872 0.2181 0.2181 0.8056 0.8056 0.8192 0.8192 1.3742 1.3742 3.2979 3.2979 3.6312 3.6312 3.7044 3.7044 5.0832 5.0832 5.3267 5.3267 5.4049 5.4049 5.4452 5.4452 5.6946 5.6946 6.4926 6.4926 6.4949 6.4949 6.9061 6.9061 6.9972 6.9972 10.4251 10.4251 11.9430 11.9430 11.9483 11.9483 12.0567 12.0567 12.9589 12.9589 k = 0.1750 0.1230 0.0950 ( 4162 PWs) bands (ev): -7.1568 -7.1568 -4.5532 -4.5532 -2.7856 -2.7856 -2.7096 -2.7096 -2.7038 -2.7038 -2.0673 -2.0673 0.1886 0.1886 0.2163 0.2163 0.8017 0.8017 0.8186 0.8186 1.3916 1.3916 3.2042 3.2042 3.5601 3.5601 3.6317 3.6317 4.9940 4.9940 5.3101 5.3101 5.3702 5.3702 5.4125 5.4125 5.6954 5.6954 6.5798 6.5798 6.5817 6.5817 6.9232 6.9232 7.0142 7.0142 10.4914 10.4914 11.9465 11.9465 11.9515 11.9515 12.1488 12.1488 13.0879 13.0879 k = 0.1625 0.1142 0.0882 ( 4159 PWs) bands (ev): -7.1776 -7.1776 -4.5372 -4.5372 -2.7769 -2.7769 -2.6980 -2.6980 -2.6921 -2.6921 -2.0147 -2.0147 0.1819 0.1819 0.2063 0.2063 0.8092 0.8092 0.8293 0.8293 1.4139 1.4139 3.1159 3.1159 3.4889 3.4889 3.5590 3.5590 4.8904 4.8904 5.2942 5.2942 5.3377 5.3377 5.3817 5.3817 5.7057 5.7057 6.6636 6.6636 6.6652 6.6652 6.9395 6.9395 7.0303 7.0303 10.5661 10.5661 11.9507 11.9507 11.9554 11.9554 12.2345 12.2345 13.2197 13.2197 k = 0.1500 0.1055 0.0814 ( 4153 PWs) bands (ev): -7.1971 -7.1971 -4.5219 -4.5219 -2.7700 -2.7700 -2.6867 -2.6867 -2.6806 -2.6806 -1.9632 -1.9632 0.1683 0.1683 0.1897 0.1897 0.8267 0.8267 0.8498 0.8498 1.4401 1.4401 3.0338 3.0338 3.4182 3.4182 3.4868 3.4868 4.7784 4.7784 5.2793 5.2793 5.3075 5.3075 5.3532 5.3532 5.7204 5.7204 6.7433 6.7433 6.7448 6.7448 6.9551 6.9551 7.0457 7.0457 10.6486 10.6486 11.9557 11.9557 11.9603 11.9603 12.3114 12.3114 13.3542 13.3542 k = 0.1375 0.0967 0.0747 ( 4165 PWs) bands (ev): -7.2153 -7.2153 -4.5074 -4.5074 -2.7647 -2.7647 -2.6757 -2.6757 -2.6695 -2.6695 -1.9133 -1.9133 0.1497 0.1497 0.1686 0.1686 0.8520 0.8520 0.8776 0.8776 1.4694 1.4694 2.9591 2.9591 3.3485 3.3485 3.4158 3.4158 4.6618 4.6618 5.2653 5.2653 5.2798 5.2798 5.3270 5.3270 5.7365 5.7365 6.8182 6.8182 6.8199 6.8199 6.9701 6.9701 7.0602 7.0602 10.7379 10.7379 11.9615 11.9615 11.9659 11.9659 12.3768 12.3768 13.4310 13.4310 k = 0.1250 0.0879 0.0679 ( 4170 PWs) bands (ev): -7.2319 -7.2319 -4.4937 -4.4937 -2.7610 -2.7610 -2.6652 -2.6652 -2.6589 -2.6589 -1.8654 -1.8654 0.1279 0.1279 0.1448 0.1448 0.8830 0.8830 0.9106 0.9106 1.5007 1.5007 2.8928 2.8928 3.2804 3.2804 3.3465 3.3465 4.5435 4.5435 5.2524 5.2524 5.2545 5.2545 5.3030 5.3030 5.7525 5.7525 6.8872 6.8872 6.8899 6.8899 6.9851 6.9851 7.0739 7.0739 10.8334 10.8334 11.9681 11.9681 11.9723 11.9723 12.4279 12.4279 13.4091 13.4091 k = 0.1125 0.0791 0.0611 ( 4170 PWs) bands (ev): -7.2472 -7.2472 -4.4809 -4.4809 -2.7586 -2.7586 -2.6553 -2.6553 -2.6489 -2.6489 -1.8201 -1.8201 0.1047 0.1047 0.1200 0.1200 0.9176 0.9176 0.9468 0.9468 1.5326 1.5326 2.8361 2.8361 3.2147 3.2147 3.2797 3.2797 4.4256 4.4256 5.2316 5.2316 5.2406 5.2406 5.2814 5.2814 5.7674 5.7674 6.9471 6.9471 6.9541 6.9541 7.0030 7.0030 7.0871 7.0871 10.9339 10.9339 11.9754 11.9754 11.9793 11.9793 12.4621 12.4621 13.3866 13.3866 k = 0.1000 0.0703 0.0543 ( 4164 PWs) bands (ev): -7.2609 -7.2609 -4.4692 -4.4692 -2.7573 -2.7573 -2.6460 -2.6460 -2.6396 -2.6396 -1.7776 -1.7776 0.0815 0.0815 0.0955 0.0955 0.9540 0.9540 0.9845 0.9845 1.5638 1.5638 2.7898 2.7898 3.1521 3.1521 3.2161 3.2161 4.3097 4.3097 5.2113 5.2113 5.2298 5.2298 5.2621 5.2621 5.7809 5.7809 6.9865 6.9865 7.0113 7.0113 7.0345 7.0345 7.1006 7.1006 11.0385 11.0385 11.9832 11.9832 11.9869 11.9869 12.4773 12.4773 13.3642 13.3642 k = 0.0875 0.0615 0.0475 ( 4170 PWs) bands (ev): -7.2730 -7.2730 -4.4585 -4.4585 -2.7568 -2.7568 -2.6375 -2.6375 -2.6310 -2.6310 -1.7387 -1.7387 0.0591 0.0591 0.0722 0.0722 0.9907 0.9907 1.0221 1.0221 1.5928 1.5928 2.7548 2.7548 3.0934 3.0934 3.1566 3.1566 4.1978 4.1978 5.1933 5.1933 5.2203 5.2203 5.2451 5.2451 5.7927 5.7927 7.0043 7.0043 7.0586 7.0586 7.0803 7.0803 7.1167 7.1167 11.1461 11.1461 11.9913 11.9913 11.9946 11.9946 12.4731 12.4731 13.3423 13.3423 k = 0.0750 0.0527 0.0407 ( 4182 PWs) bands (ev): -7.2836 -7.2836 -4.4491 -4.4491 -2.7569 -2.7569 -2.6300 -2.6300 -2.6234 -2.6234 -1.7037 -1.7037 0.0385 0.0385 0.0509 0.0509 1.0261 1.0261 1.0582 1.0582 1.6184 1.6184 2.7314 2.7314 3.0394 3.0394 3.1020 3.1020 4.0916 4.0916 5.1779 5.1779 5.2119 5.2119 5.2305 5.2305 5.8029 5.8029 7.0153 7.0153 7.0902 7.0902 7.1254 7.1254 7.1410 7.1410 11.2553 11.2553 11.9993 11.9993 12.0023 12.0023 12.4502 12.4502 13.3214 13.3214 k = 0.0625 0.0439 0.0339 ( 4170 PWs) bands (ev): -7.2926 -7.2926 -4.4409 -4.4409 -2.7574 -2.7574 -2.6234 -2.6234 -2.6168 -2.6168 -1.6730 -1.6730 0.0203 0.0203 0.0321 0.0321 1.0589 1.0589 1.0916 1.0916 1.6396 1.6396 2.7192 2.7192 2.9913 2.9913 3.0533 3.0533 3.9933 3.9933 5.1648 5.1648 5.2048 5.2048 5.2181 5.2181 5.8113 5.8113 7.0235 7.0235 7.1065 7.1065 7.1651 7.1651 7.1725 7.1725 11.3648 11.3648 12.0069 12.0069 12.0097 12.0097 12.4109 12.4109 13.3022 13.3022 k = 0.0500 0.0352 0.0271 ( 4176 PWs) bands (ev): -7.3000 -7.3000 -4.4341 -4.4341 -2.7582 -2.7582 -2.6179 -2.6179 -2.6112 -2.6112 -1.6473 -1.6473 0.0049 0.0049 0.0162 0.0162 1.0879 1.0879 1.1211 1.1211 1.6561 1.6561 2.7165 2.7165 2.9499 2.9499 3.0117 3.0117 3.9055 3.9055 5.1541 5.1541 5.1989 5.1989 5.2080 5.2080 5.8181 5.8181 7.0300 7.0300 7.1158 7.1158 7.1984 7.1984 7.2027 7.2027 11.4725 11.4725 12.0139 12.0139 12.0163 12.0163 12.3582 12.3582 13.2854 13.2854 k = 0.0375 0.0264 0.0204 ( 4194 PWs) bands (ev): -7.3058 -7.3058 -4.4288 -4.4288 -2.7590 -2.7590 -2.6135 -2.6135 -2.6068 -2.6068 -1.6268 -1.6268 -0.0075 -0.0075 0.0035 0.0035 1.1119 1.1119 1.1454 1.1454 1.6681 1.6681 2.7208 2.7208 2.9162 2.9162 2.9779 2.9779 3.8314 3.8314 5.1459 5.1459 5.1943 5.1943 5.2002 5.2002 5.8233 5.8233 7.0349 7.0349 7.1220 7.1220 7.2247 7.2247 7.2276 7.2276 11.5753 11.5753 12.0197 12.0197 12.0219 12.0219 12.2965 12.2965 13.2716 13.2716 k = 0.0250 0.0176 0.0136 ( 4209 PWs) bands (ev): -7.3099 -7.3099 -4.4249 -4.4249 -2.7596 -2.7596 -2.6103 -2.6103 -2.6036 -2.6036 -1.6119 -1.6119 -0.0165 -0.0165 -0.0057 -0.0057 1.1299 1.1299 1.1635 1.1635 1.6759 1.6759 2.7283 2.7283 2.8912 2.8912 2.9531 2.9531 3.7745 3.7745 5.1400 5.1400 5.1910 5.1910 5.1946 5.1946 5.8270 5.8270 7.0384 7.0384 7.1261 7.1261 7.2436 7.2436 7.2459 7.2459 11.6680 11.6680 12.0242 12.0242 12.0262 12.0262 12.2324 12.2324 13.2613 13.2613 k = 0.0125 0.0088 0.0068 ( 4209 PWs) bands (ev): -7.3124 -7.3124 -4.4226 -4.4226 -2.7601 -2.7601 -2.6084 -2.6084 -2.6017 -2.6017 -1.6028 -1.6028 -0.0219 -0.0219 -0.0112 -0.0112 1.1411 1.1411 1.1748 1.1748 1.6803 1.6803 2.7351 2.7351 2.8758 2.8758 2.9378 2.9378 3.7384 3.7384 5.1364 5.1364 5.1891 5.1891 5.1912 5.1912 5.8292 5.8292 7.0405 7.0405 7.1285 7.1285 7.2550 7.2550 7.2570 7.2570 11.7393 11.7393 12.0270 12.0270 12.0288 12.0288 12.1779 12.1779 13.2549 13.2549 k = 0.0000 0.0000 0.0000 ( 4215 PWs) bands (ev): -7.3132 -7.3132 -4.4218 -4.4218 -2.7602 -2.7602 -2.6078 -2.6078 -2.6010 -2.6010 -1.5998 -1.5998 -0.0237 -0.0237 -0.0131 -0.0131 1.1449 1.1449 1.1786 1.1786 1.6817 1.6817 2.7378 2.7378 2.8706 2.8706 2.9327 2.9327 3.7260 3.7260 5.1353 5.1353 5.1884 5.1884 5.1901 5.1901 5.8299 5.8299 7.0412 7.0412 7.1292 7.1292 7.2588 7.2588 7.2607 7.2607 11.7680 11.7680 12.0280 12.0280 12.0297 12.0297 12.1547 12.1547 13.2528 13.2528 k = 0.0000 0.0000 0.0000 ( 4215 PWs) bands (ev): -7.3132 -7.3132 -4.4218 -4.4218 -2.7602 -2.7602 -2.6078 -2.6078 -2.6010 -2.6010 -1.5998 -1.5998 -0.0237 -0.0237 -0.0131 -0.0131 1.1449 1.1449 1.1786 1.1786 1.6817 1.6817 2.7378 2.7378 2.8706 2.8706 2.9327 2.9327 3.7260 3.7260 5.1353 5.1353 5.1884 5.1884 5.1901 5.1901 5.8299 5.8299 7.0412 7.0412 7.1292 7.1292 7.2588 7.2588 7.2607 7.2607 11.7680 11.7680 12.0280 12.0280 12.0297 12.0297 12.1547 12.1547 13.2528 13.2528 k = 0.0097-0.0035-0.0134 ( 4197 PWs) bands (ev): -7.3122 -7.3122 -4.4252 -4.4252 -2.7615 -2.7615 -2.6070 -2.6070 -2.5993 -2.5993 -1.6019 -1.6019 -0.0213 -0.0213 -0.0107 -0.0107 1.1458 1.1458 1.1797 1.1797 1.6815 1.6815 2.7009 2.7009 2.8898 2.8898 2.9578 2.9578 3.7279 3.7279 5.1246 5.1246 5.1804 5.1804 5.1856 5.1856 5.8442 5.8442 7.0388 7.0388 7.1269 7.1269 7.2570 7.2570 7.2593 7.2593 11.7681 11.7681 12.0224 12.0224 12.0324 12.0324 12.1601 12.1601 13.2552 13.2552 k = 0.0195-0.0070-0.0268 ( 4191 PWs) bands (ev): -7.3093 -7.3093 -4.4354 -4.4354 -2.7657 -2.7657 -2.6074 -2.6074 -2.5913 -2.5913 -1.6083 -1.6083 -0.0145 -0.0145 -0.0030 -0.0030 1.1476 1.1476 1.1838 1.1838 1.6810 1.6810 2.6341 2.6341 2.9074 2.9074 3.0293 3.0293 3.7336 3.7336 5.0836 5.0836 5.1651 5.1651 5.1767 5.1767 5.8829 5.8829 7.0309 7.0309 7.1205 7.1205 7.2502 7.2502 7.2564 7.2564 11.7685 11.7685 12.0061 12.0061 12.0427 12.0427 12.1737 12.1737 13.2623 13.2623 k = 0.0292-0.0105-0.0402 ( 4185 PWs) bands (ev): -7.3044 -7.3044 -4.4520 -4.4520 -2.7735 -2.7735 -2.6088 -2.6088 -2.5766 -2.5766 -1.6188 -1.6188 -0.0044 -0.0044 0.0106 0.0106 1.1479 1.1479 1.1934 1.1934 1.6802 1.6802 2.5650 2.5650 2.9233 2.9233 3.1197 3.1197 3.7432 3.7432 5.0120 5.0120 5.1526 5.1526 5.1632 5.1632 5.9372 5.9372 7.0149 7.0149 7.1120 7.1120 7.2386 7.2386 7.2523 7.2523 11.7693 11.7693 11.9845 11.9845 12.0597 12.0597 12.1911 12.1911 13.2729 13.2729 k = 0.0389-0.0140-0.0536 ( 4181 PWs) bands (ev): -7.2976 -7.2976 -4.4747 -4.4747 -2.7859 -2.7859 -2.6092 -2.6092 -2.5562 -2.5562 -1.6333 -1.6333 0.0085 0.0085 0.0301 0.0301 1.1452 1.1452 1.2098 1.2098 1.6792 1.6792 2.4996 2.4996 2.9427 2.9427 3.2176 3.2176 3.7566 3.7566 4.9213 4.9213 5.1362 5.1362 5.1488 5.1488 5.9993 5.9993 6.9885 6.9885 7.1027 7.1027 7.2225 7.2225 7.2471 7.2471 11.7710 11.7710 11.9608 11.9608 12.0831 12.0831 12.2096 12.2096 13.2860 13.2860 k = 0.0487-0.0175-0.0670 ( 4179 PWs) bands (ev): -7.2889 -7.2889 -4.5029 -4.5029 -2.8038 -2.8038 -2.6075 -2.6075 -2.5311 -2.5311 -1.6513 -1.6513 0.0240 0.0240 0.0548 0.0548 1.1396 1.1396 1.2326 1.2326 1.6784 1.6784 2.4397 2.4397 2.9666 2.9666 3.3199 3.3199 3.7738 3.7738 4.8187 4.8187 5.1122 5.1122 5.1359 5.1359 6.0641 6.0641 6.9508 6.9508 7.0926 7.0926 7.2023 7.2023 7.2412 7.2412 11.7738 11.7738 11.9368 11.9368 12.1125 12.1125 12.2279 12.2279 13.3003 13.3003 k = 0.0584-0.0210-0.0804 ( 4176 PWs) bands (ev): -7.2782 -7.2782 -4.5359 -4.5359 -2.8274 -2.8274 -2.6027 -2.6027 -2.5017 -2.5017 -1.6727 -1.6727 0.0420 0.0420 0.0841 0.0841 1.1315 1.1315 1.2613 1.2613 1.6779 1.6779 2.3862 2.3862 2.9952 2.9952 3.4254 3.4254 3.7948 3.7948 4.7087 4.7087 5.0831 5.0831 5.1225 5.1225 6.1287 6.1287 6.9022 6.9022 7.0802 7.0802 7.1780 7.1780 7.2350 7.2350 11.7782 11.7782 11.9134 11.9134 12.1473 12.1473 12.2456 12.2456 13.3150 13.3150 k = 0.0681-0.0245-0.0938 ( 4180 PWs) bands (ev): -7.2656 -7.2656 -4.5730 -4.5730 -2.8566 -2.8566 -2.5947 -2.5947 -2.4691 -2.4691 -1.6972 -1.6972 0.0619 0.0619 0.1172 0.1172 1.1216 1.1216 1.2954 1.2954 1.6781 1.6781 2.3393 2.3393 3.0284 3.0284 3.5331 3.5331 3.8196 3.8196 4.5941 4.5941 5.0501 5.0501 5.1077 5.1077 6.1910 6.1910 6.8438 6.8438 7.0639 7.0639 7.1498 7.1498 7.2287 7.2287 11.7847 11.7847 11.8910 11.8910 12.1865 12.1865 12.2627 12.2627 13.3292 13.3292 k = 0.0779-0.0280-0.1072 ( 4180 PWs) bands (ev): -7.2512 -7.2512 -4.6138 -4.6138 -2.8909 -2.8909 -2.5835 -2.5835 -2.4337 -2.4337 -1.7243 -1.7243 0.0833 0.0833 0.1535 0.1535 1.1102 1.1102 1.3347 1.3347 1.6796 1.6796 2.2991 2.2991 3.0660 3.0660 3.6421 3.6421 3.8481 3.8481 4.4769 4.4769 5.0142 5.0142 5.0915 5.0915 6.2499 6.2499 6.7765 6.7765 7.0423 7.0423 7.1179 7.1179 7.2223 7.2223 11.7936 11.7936 11.8696 11.8696 12.2288 12.2288 12.2797 12.2797 13.3420 13.3420 k = 0.0876-0.0315-0.1206 ( 4190 PWs) bands (ev): -7.2349 -7.2349 -4.6574 -4.6574 -2.9296 -2.9296 -2.5693 -2.5693 -2.3964 -2.3964 -1.7538 -1.7538 0.1052 0.1052 0.1925 0.1925 1.0982 1.0982 1.3787 1.3787 1.6827 1.6827 2.2650 2.2650 3.1079 3.1079 3.7511 3.7511 3.8804 3.8804 4.3597 4.3597 4.9762 4.9762 5.0740 5.0740 6.3041 6.3041 6.7014 6.7014 7.0151 7.0151 7.0825 7.0825 7.2156 7.2156 11.8051 11.8051 11.8487 11.8487 12.2714 12.2714 12.2984 12.2984 13.3520 13.3520 k = 0.0973-0.0350-0.1340 ( 4194 PWs) bands (ev): -7.2168 -7.2168 -4.7034 -4.7034 -2.9719 -2.9719 -2.5524 -2.5524 -2.3579 -2.3579 -1.7854 -1.7854 0.1267 0.1267 0.2336 0.2336 1.0867 1.0867 1.4272 1.4272 1.6879 1.6879 2.2365 2.2365 3.1539 3.1539 3.8562 3.8562 3.9168 3.9168 4.2465 4.2465 4.9369 4.9369 5.0555 5.0555 6.3526 6.3526 6.6196 6.6196 6.9818 6.9818 7.0437 7.0437 7.2083 7.2083 11.8190 11.8190 11.8282 11.8282 12.3039 12.3039 12.3279 12.3279 13.3560 13.3560 k = 0.1071-0.0385-0.1473 ( 4198 PWs) bands (ev): -7.1969 -7.1969 -4.7511 -4.7511 -3.0173 -3.0173 -2.5330 -2.5330 -2.3188 -2.3188 -1.8186 -1.8186 0.1467 0.1467 0.2765 0.2765 1.0772 1.0772 1.4797 1.4797 1.6956 1.6956 2.2127 2.2127 3.2039 3.2039 3.9386 3.9386 3.9610 3.9610 4.1531 4.1531 4.8969 4.8969 5.0362 5.0362 6.3930 6.3930 6.5335 6.5335 6.9428 6.9428 7.0017 7.0017 7.2003 7.2003 11.8054 11.8054 11.8369 11.8369 12.3247 12.3247 12.3685 12.3685 13.3459 13.3459 k = 0.1168-0.0420-0.1607 ( 4202 PWs) bands (ev): -7.1752 -7.1752 -4.8002 -4.8002 -3.0652 -3.0652 -2.5113 -2.5113 -2.2798 -2.2798 -1.8533 -1.8533 0.1638 0.1638 0.3208 0.3208 1.0712 1.0712 1.5357 1.5357 1.7059 1.7059 2.1924 2.1924 3.2575 3.2575 3.9401 3.9401 3.9980 3.9980 4.1531 4.1531 4.8572 4.8572 5.0165 5.0165 6.4037 6.4037 6.4644 6.4644 6.8984 6.8984 6.9566 6.9566 7.1916 7.1916 11.7814 11.7814 11.8565 11.8565 12.3446 12.3446 12.4079 12.4079 13.3171 13.3171 k = 0.1265-0.0455-0.1741 ( 4198 PWs) bands (ev): -7.1519 -7.1519 -4.8500 -4.8500 -3.1150 -3.1150 -2.4875 -2.4875 -2.2413 -2.2413 -1.8890 -1.8890 0.1768 0.1768 0.3662 0.3662 1.0705 1.0705 1.5948 1.5948 1.7191 1.7191 2.1746 2.1746 3.3147 3.3147 3.8524 3.8524 4.0414 4.0414 4.2412 4.2412 4.8190 4.8190 4.9967 4.9967 6.3251 6.3251 6.4713 6.4713 6.8496 6.8496 6.9087 6.9087 7.1824 7.1824 11.7545 11.7545 11.8781 11.8781 12.3659 12.3659 12.4421 12.4421 13.2738 13.2738 k = 0.1363-0.0490-0.1875 ( 4198 PWs) bands (ev): -7.1269 -7.1269 -4.9003 -4.9003 -3.1664 -3.1664 -2.4619 -2.4619 -2.2040 -2.2040 -1.9254 -1.9254 0.1847 0.1847 0.4126 0.4126 1.0767 1.0767 1.6561 1.6561 1.7354 1.7354 2.1578 2.1578 3.3754 3.3754 3.7510 3.7510 4.0883 4.0883 4.3439 4.3439 4.7842 4.7842 4.9774 4.9774 6.2240 6.2240 6.4859 6.4859 6.7982 6.7982 6.8582 6.8582 7.1730 7.1730 11.7240 11.7240 11.9008 11.9008 12.3891 12.3891 12.4693 12.4693 13.2195 13.2195 k = 0.1460-0.0525-0.2009 ( 4190 PWs) bands (ev): -7.1004 -7.1004 -4.9507 -4.9507 -3.2189 -3.2189 -2.4345 -2.4345 -2.1685 -2.1685 -1.9622 -1.9622 0.1868 0.1868 0.4599 0.4599 1.0906 1.0906 1.7181 1.7181 1.7557 1.7557 2.1408 2.1408 3.4391 3.4391 3.6522 3.6522 4.1371 4.1371 4.4433 4.4433 4.7573 4.7573 4.9591 4.9591 6.1177 6.1177 6.4883 6.4883 6.7472 6.7472 6.8052 6.8052 7.1638 7.1638 11.6894 11.6894 11.9232 11.9232 12.4139 12.4139 12.4894 12.4894 13.1570 13.1570 k = 0.1557-0.0560-0.2143 ( 4190 PWs) bands (ev): -7.0723 -7.0723 -5.0007 -5.0007 -3.2721 -3.2721 -2.4060 -2.4060 -2.1352 -2.1352 -1.9987 -1.9987 0.1831 0.1831 0.5079 0.5079 1.1127 1.1127 1.7686 1.7686 1.7913 1.7913 2.1222 2.1222 3.5033 3.5033 3.5629 3.5629 4.1870 4.1870 4.5241 4.5241 4.7511 4.7511 4.9425 4.9425 6.0085 6.0085 6.4721 6.4721 6.7016 6.7016 6.7502 6.7502 7.1553 7.1553 11.6506 11.6506 11.9433 11.9433 12.4388 12.4388 12.5039 12.5039 13.0899 13.0899 k = 0.1655-0.0595-0.2277 ( 4182 PWs) bands (ev): -7.0428 -7.0428 -5.0501 -5.0501 -3.3258 -3.3258 -2.3768 -2.3768 -2.1047 -2.1047 -2.0341 -2.0341 0.1740 0.1740 0.5567 0.5567 1.1426 1.1426 1.7967 1.7967 1.8524 1.8524 2.1007 2.1007 3.4724 3.4724 3.5813 3.5813 4.2368 4.2368 4.5613 4.5613 4.7894 4.7894 4.9285 4.9285 5.8975 5.8975 6.4331 6.4331 6.6653 6.6653 6.6932 6.6932 7.1478 7.1478 11.6078 11.6078 11.9588 11.9588 12.4608 12.4608 12.5158 12.5158 13.0228 13.0228 k = 0.1752-0.0630-0.2411 ( 4192 PWs) bands (ev): -7.0120 -7.0120 -5.0987 -5.0987 -3.3796 -3.3796 -2.3482 -2.3482 -2.0778 -2.0778 -2.0671 -2.0671 0.1606 0.1606 0.6061 0.6061 1.1792 1.1792 1.8243 1.8243 1.9158 1.9158 2.0755 2.0755 3.4015 3.4015 3.6542 3.6542 4.2854 4.2854 4.5571 4.5571 4.8669 4.8669 4.9206 4.9206 5.7858 5.7858 6.3727 6.3727 6.6344 6.6344 6.6372 6.6372 7.1415 7.1415 11.5614 11.5614 11.9671 11.9671 12.4747 12.4747 12.5293 12.5293 12.9623 12.9623 k = 0.1849-0.0665-0.2545 ( 4186 PWs) bands (ev): -6.9801 -6.9801 -5.1460 -5.1460 -3.4334 -3.4334 -2.3226 -2.3226 -2.0957 -2.0957 -2.0540 -2.0540 0.1441 0.1441 0.6563 0.6563 1.2209 1.2209 1.8539 1.8539 1.9759 1.9759 2.0484 2.0484 3.3424 3.3424 3.7314 3.7314 4.3310 4.3310 4.5368 4.5368 4.9040 4.9040 4.9740 4.9740 5.6748 5.6748 6.2967 6.2967 6.5746 6.5746 6.6118 6.6118 7.1363 7.1363 11.5122 11.5122 11.9663 11.9663 12.4718 12.4718 12.5485 12.5485 12.9179 12.9179 k = 0.1947-0.0700-0.2679 ( 4186 PWs) bands (ev): -6.9470 -6.9470 -5.1919 -5.1919 -3.4869 -3.4869 -2.3048 -2.3048 -2.1141 -2.1141 -2.0350 -2.0350 0.1259 0.1259 0.7072 0.7072 1.2657 1.2657 1.8858 1.8858 1.9973 1.9973 2.0537 2.0537 3.2970 3.2970 3.8121 3.8121 4.3719 4.3719 4.5123 4.5123 4.9038 4.9038 5.0737 5.0737 5.5662 5.5662 6.2099 6.2099 6.5137 6.5137 6.5854 6.5854 7.1318 7.1318 11.4609 11.4609 11.9555 11.9555 12.4431 12.4431 12.5765 12.5765 12.8984 12.8984 k = 0.2044-0.0735-0.2813 ( 4192 PWs) bands (ev): -6.9131 -6.9131 -5.2360 -5.2360 -3.5399 -3.5399 -2.3014 -2.3014 -2.1160 -2.1160 -2.0208 -2.0208 0.1072 0.1072 0.7589 0.7589 1.3111 1.3111 1.9190 1.9190 1.9654 1.9654 2.1074 2.1074 3.2661 3.2661 3.8960 3.8960 4.4061 4.4061 4.4881 4.4881 4.9063 4.9063 5.1744 5.1744 5.4627 5.4627 6.1155 6.1155 6.4523 6.4523 6.5560 6.5560 7.1277 7.1277 11.4084 11.4084 11.9360 11.9360 12.3874 12.3874 12.6145 12.6145 12.9048 12.9048 k = 0.2141-0.0770-0.2947 ( 4192 PWs) bands (ev): -6.8784 -6.8784 -5.2781 -5.2781 -3.5922 -3.5922 -2.3145 -2.3145 -2.0992 -2.0992 -2.0118 -2.0118 0.0890 0.0890 0.8114 0.8114 1.3536 1.3536 1.9200 1.9200 1.9623 1.9623 2.1623 2.1623 3.2494 3.2494 3.9830 3.9830 4.4310 4.4310 4.4669 4.4669 4.9112 4.9112 5.2683 5.2683 5.3724 5.3724 6.0156 6.0156 6.3908 6.3908 6.5231 6.5231 7.1234 7.1234 11.3554 11.3554 11.9097 11.9097 12.3115 12.3115 12.6617 12.6617 12.9302 12.9302 k = 0.2239-0.0805-0.3081 ( 4192 PWs) bands (ev): -6.8433 -6.8433 -5.3178 -5.3178 -3.6436 -3.6436 -2.3390 -2.3390 -2.0688 -2.0688 -2.0084 -2.0084 0.0724 0.0724 0.8646 0.8646 1.3889 1.3889 1.8848 1.8848 2.0004 2.0004 2.2139 2.2139 3.2464 3.2464 4.0729 4.0729 4.4375 4.4375 4.4581 4.4581 4.9127 4.9127 5.2736 5.2736 5.3819 5.3819 5.9117 5.9117 6.3299 6.3299 6.4868 6.4868 7.1185 7.1185 11.3030 11.3030 11.8795 11.8795 12.2230 12.2230 12.7164 12.7164 12.9663 12.9663 k = 0.2336-0.0840-0.3215 ( 4188 PWs) bands (ev): -6.8079 -6.8079 -5.3548 -5.3548 -3.6941 -3.6941 -2.3694 -2.3694 -2.0302 -2.0302 -2.0110 -2.0110 0.0579 0.0579 0.9188 0.9188 1.4114 1.4114 1.8567 1.8567 2.0429 2.0429 2.2605 2.2605 3.2562 3.2562 4.1651 4.1651 4.4248 4.4248 4.4629 4.4629 4.9004 4.9004 5.2236 5.2236 5.4662 5.4662 5.8059 5.8059 6.2702 6.2702 6.4476 6.4476 7.1126 7.1126 11.2518 11.2518 11.8476 11.8476 12.1273 12.1273 12.7768 12.7768 13.0065 13.0065 k = 0.2433-0.0875-0.3349 ( 4182 PWs) bands (ev): -6.7726 -6.7726 -5.3889 -5.3889 -3.7436 -3.7436 -2.4024 -2.4024 -2.0201 -2.0201 -1.9861 -1.9861 0.0460 0.0460 0.9738 0.9738 1.4158 1.4158 1.8430 1.8430 2.0884 2.0884 2.3015 2.3015 3.2775 3.2775 4.2588 4.2588 4.4131 4.4131 4.4619 4.4619 4.8663 4.8663 5.2038 5.2038 5.5398 5.5398 5.7055 5.7055 6.2130 6.2130 6.4066 6.4066 7.1055 7.1055 11.2027 11.2027 11.8163 11.8163 12.0278 12.0278 12.8410 12.8410 13.0458 13.0458 k = 0.2531-0.0910-0.3483 ( 4188 PWs) bands (ev): -6.7376 -6.7376 -5.4196 -5.4196 -3.7918 -3.7918 -2.4365 -2.4365 -2.0353 -2.0353 -1.9389 -1.9389 0.0368 0.0368 1.0296 1.0296 1.4006 1.4006 1.8465 1.8465 2.1366 2.1366 2.3359 2.3359 3.3092 3.3092 4.3489 4.3489 4.4089 4.4089 4.4521 4.4521 4.8177 4.8177 5.2112 5.2112 5.5388 5.5388 5.6704 5.6704 6.1594 6.1594 6.3649 6.3649 7.0969 7.0969 11.1563 11.1563 11.7873 11.7873 11.9265 11.9265 12.9072 12.9072 13.0800 13.0800 k = 0.2628-0.0945-0.3617 ( 4190 PWs) bands (ev): -6.7034 -6.7034 -5.4466 -5.4466 -3.8387 -3.8387 -2.4709 -2.4709 -2.0568 -2.0568 -1.8889 -1.8889 0.0303 0.0303 1.0863 1.0863 1.3697 1.3697 1.8642 1.8642 2.1873 2.1873 2.3629 2.3629 3.3503 3.3503 4.3850 4.3850 4.4312 4.4312 4.4609 4.4609 4.7712 4.7712 5.2323 5.2323 5.4411 5.4411 5.7206 5.7206 6.1113 6.1113 6.3243 6.3243 7.0871 7.0871 11.1134 11.1134 11.7617 11.7617 11.8251 11.8251 12.9728 12.9728 13.1054 13.1054 k = 0.2726-0.0980-0.3751 ( 4194 PWs) bands (ev): -6.6704 -6.6704 -5.4694 -5.4694 -3.8843 -3.8843 -2.5049 -2.5049 -2.0847 -2.0847 -1.8366 -1.8366 0.0260 0.0260 1.1438 1.1438 1.3295 1.3295 1.8906 1.8906 2.2404 2.2404 2.3820 2.3820 3.3997 3.3997 4.3722 4.3722 4.4111 4.4111 4.5439 4.5439 4.7445 4.7445 5.2561 5.2561 5.3276 5.3276 5.7726 5.7726 6.0710 6.0710 6.2873 6.2873 7.0761 7.0761 11.0746 11.0746 11.7227 11.7227 11.7427 11.7427 13.0342 13.0342 13.1194 13.1194 k = 0.2823-0.1015-0.3885 ( 4202 PWs) bands (ev): -6.6389 -6.6389 -5.4876 -5.4876 -3.9283 -3.9283 -2.5385 -2.5385 -2.1186 -2.1186 -1.7824 -1.7824 0.0233 0.0233 1.2020 1.2020 1.2863 1.2863 1.9212 1.9212 2.2953 2.2953 2.3925 2.3925 3.4564 3.4564 4.3295 4.3295 4.4085 4.4085 4.6042 4.6042 4.7604 4.7604 5.2108 5.2108 5.2752 5.2752 5.8109 5.8109 6.0412 6.0412 6.2571 6.2571 7.0643 7.0643 11.0403 11.0403 11.6249 11.6249 11.7264 11.7264 13.0854 13.0854 13.1214 13.1214 k = 0.2920-0.1050-0.4019 ( 4200 PWs) bands (ev): -6.6096 -6.6096 -5.5007 -5.5007 -3.9709 -3.9709 -2.5712 -2.5712 -2.1582 -2.1582 -1.7265 -1.7265 0.0216 0.0216 1.2424 1.2424 1.2628 1.2628 1.9528 1.9528 2.3514 2.3514 2.3943 2.3943 3.5193 3.5193 4.2712 4.2712 4.4162 4.4162 4.6276 4.6276 4.8277 4.8277 5.0944 5.0944 5.2842 5.2842 5.8297 5.8297 6.0243 6.0243 6.2371 6.2371 7.0523 7.0523 11.0110 11.0110 11.5288 11.5288 11.7170 11.7170 13.1100 13.1100 13.1202 13.1202 k = 0.3018-0.1085-0.4152 ( 4196 PWs) bands (ev): -6.5828 -6.5828 -5.5085 -5.5085 -4.0118 -4.0118 -2.6030 -2.6030 -2.2032 -2.2032 -1.6690 -1.6690 0.0199 0.0199 1.2055 1.2055 1.3215 1.3215 1.9837 1.9837 2.3844 2.3844 2.4109 2.4109 3.5875 3.5875 4.2072 4.2072 4.4295 4.4295 4.6375 4.6375 4.9087 4.9087 4.9896 4.9896 5.2801 5.2801 5.8270 5.8270 6.0218 6.0218 6.2283 6.2283 7.0406 7.0406 10.9870 10.9870 11.4362 11.4362 11.7139 11.7139 13.0936 13.0936 13.1276 13.1276 k = 0.3115-0.1120-0.4286 ( 4202 PWs) bands (ev): -6.5589 -6.5589 -5.5104 -5.5104 -4.0510 -4.0510 -2.6338 -2.6338 -2.2530 -2.2530 -1.6102 -1.6102 0.0172 0.0172 1.1742 1.1742 1.3819 1.3819 2.0129 2.0129 2.3681 2.3681 2.4683 2.4683 3.6598 3.6598 4.1423 4.1423 4.4463 4.4463 4.6474 4.6474 4.8517 4.8517 5.0331 5.0331 5.2623 5.2623 5.8052 5.8052 6.0332 6.0332 6.2276 6.2276 7.0301 7.0301 10.9684 10.9684 11.3481 11.3481 11.7170 11.7170 13.0698 13.0698 13.1195 13.1195 k = 0.3212-0.1155-0.4420 ( 4194 PWs) bands (ev): -6.5382 -6.5382 -5.5064 -5.5064 -4.0886 -4.0886 -2.6634 -2.6634 -2.3073 -2.3073 -1.5502 -1.5502 0.0127 0.0127 1.1510 1.1510 1.4428 1.4428 2.0400 2.0400 2.3419 2.3419 2.5267 2.5267 3.7351 3.7351 4.0793 4.0793 4.4624 4.4624 4.6575 4.6575 4.7502 4.7502 5.1325 5.1325 5.2329 5.2329 5.7696 5.7696 6.0564 6.0564 6.2296 6.2296 7.0213 7.0213 10.9550 10.9550 11.2657 11.2657 11.7262 11.7262 13.0417 13.0417 13.1041 13.1041 k = 0.3310-0.1190-0.4554 ( 4188 PWs) bands (ev): -6.5211 -6.5211 -5.4962 -5.4962 -4.1244 -4.1244 -2.6918 -2.6918 -2.3654 -2.3654 -1.4892 -1.4892 0.0056 0.0056 1.1373 1.1373 1.5043 1.5043 2.0646 2.0646 2.3071 2.3071 2.5853 2.5853 3.8120 3.8120 4.0199 4.0199 4.4629 4.4629 4.6409 4.6409 4.6985 4.6985 5.1878 5.1878 5.2402 5.2402 5.7252 5.7252 6.0884 6.0884 6.2290 6.2290 7.0150 7.0150 10.9460 10.9460 11.1907 11.1907 11.7411 11.7411 13.0105 13.0105 13.0868 13.0868 k = 0.3407-0.1225-0.4688 ( 4194 PWs) bands (ev): -6.5074 -6.5074 -5.4801 -5.4801 -4.1583 -4.1583 -2.7189 -2.7189 -2.4268 -2.4268 -1.4274 -1.4274 -0.0044 -0.0044 1.1334 1.1334 1.5659 1.5659 2.0868 2.0868 2.2644 2.2644 2.6435 2.6435 3.8865 3.8865 3.9675 3.9675 4.4138 4.4138 4.6182 4.6182 4.7114 4.7114 5.1429 5.1429 5.3398 5.3398 5.6763 5.6763 6.1262 6.1262 6.2224 6.2224 7.0113 7.0113 10.9386 10.9386 11.1264 11.1264 11.7609 11.7609 12.9772 12.9772 13.0706 13.0706 k = 0.3504-0.1260-0.4822 ( 4190 PWs) bands (ev): -6.4971 -6.4971 -5.4582 -5.4582 -4.1905 -4.1905 -2.7446 -2.7446 -2.4908 -2.4908 -1.3651 -1.3651 -0.0176 -0.0176 1.1397 1.1397 1.6277 1.6277 2.1065 2.1065 2.2149 2.2149 2.7010 2.7010 3.9011 3.9011 3.9786 3.9786 4.3219 4.3219 4.6370 4.6370 4.7347 4.7347 5.0913 5.0913 5.4392 5.4392 5.6261 5.6261 6.1670 6.1670 6.2081 6.2081 7.0102 7.0102 10.9270 10.9270 11.0796 11.0796 11.7849 11.7849 12.9422 12.9422 13.0569 13.0569 k = 0.3602-0.1295-0.4956 ( 4194 PWs) bands (ev): -6.4899 -6.4899 -5.4311 -5.4311 -4.2207 -4.2207 -2.7690 -2.7690 -2.5570 -2.5570 -1.3025 -1.3025 -0.0336 -0.0336 1.1557 1.1557 1.6893 1.6893 2.1230 2.1230 2.1607 2.1607 2.7575 2.7575 3.8563 3.8563 4.0496 4.0496 4.2196 4.2196 4.6721 4.6721 4.7617 4.7617 5.0366 5.0366 5.5352 5.5352 5.5777 5.5777 6.1845 6.1845 6.2099 6.2099 7.0112 7.0112 10.9028 10.9028 11.0590 11.0590 11.8117 11.8117 12.9060 12.9060 13.0461 13.0461 k = 0.3699-0.1330-0.5090 ( 4190 PWs) bands (ev): -6.4855 -6.4855 -5.3993 -5.3993 -4.2490 -4.2490 -2.7918 -2.7918 -2.6246 -2.6246 -1.2398 -1.2398 -0.0520 -0.0520 1.1808 1.1808 1.7503 1.7503 2.0972 2.0972 2.1422 2.1422 2.8122 2.8122 3.8113 3.8113 4.0815 4.0815 4.1567 4.1567 4.7122 4.7122 4.7911 4.7911 4.9806 4.9806 5.5313 5.5313 5.6292 5.6292 6.1541 6.1541 6.2514 6.2514 7.0138 7.0138 10.8673 10.8673 11.0636 11.0636 11.8403 11.8403 12.8686 12.8686 13.0377 13.0377 k = 0.3796-0.1365-0.5224 ( 4188 PWs) bands (ev): -6.4835 -6.4835 -5.3635 -5.3635 -4.2754 -4.2754 -2.8132 -2.8132 -2.6930 -2.6930 -1.1775 -1.1775 -0.0721 -0.0721 1.2139 1.2139 1.8098 1.8098 2.0358 2.0358 2.1551 2.1551 2.8643 2.8643 3.7687 3.7687 3.9925 3.9925 4.2156 4.2156 4.7515 4.7515 4.8221 4.8221 4.9245 4.9245 5.4935 5.4935 5.7167 5.7167 6.1163 6.1163 6.2918 6.2918 7.0171 7.0171 10.8291 10.8291 11.0850 11.0850 11.8690 11.8690 12.8301 12.8301 13.0291 13.0291 k = 0.3894-0.1400-0.5358 ( 4180 PWs) bands (ev): -6.4834 -6.4834 -5.3245 -5.3245 -4.2999 -4.2999 -2.8330 -2.8330 -2.7615 -2.7615 -1.1159 -1.1159 -0.0932 -0.0932 1.2541 1.2541 1.8645 1.8645 1.9755 1.9755 2.1672 2.1672 2.9126 2.9126 3.7281 3.7281 3.8934 3.8934 4.2874 4.2874 4.7855 4.7855 4.8536 4.8536 4.8696 4.8696 5.4660 5.4660 5.7982 5.7982 6.0731 6.0731 6.3301 6.3301 7.0204 7.0204 10.7941 10.7941 11.1172 11.1172 11.8965 11.8965 12.7905 12.7905 13.0134 13.0134 k = 0.3991-0.1435-0.5492 ( 4176 PWs) bands (ev): -6.4847 -6.4847 -5.2833 -5.2833 -4.3223 -4.3223 -2.8513 -2.8513 -2.8293 -2.8293 -1.0556 -1.0556 -0.1146 -0.1146 1.3001 1.3001 1.8785 1.8785 1.9534 1.9534 2.1782 2.1782 2.9550 2.9550 3.6891 3.6891 3.8003 3.8003 4.3582 4.3582 4.8096 4.8096 4.8166 4.8166 4.8859 4.8859 5.4524 5.4524 5.8703 5.8703 6.0279 6.0279 6.3658 6.3658 7.0232 7.0232 10.7646 10.7646 11.1575 11.1575 11.9214 11.9214 12.7498 12.7498 12.9794 12.9794 k = 0.6009 0.2080-0.2777 ( 4176 PWs) bands (ev): -6.4847 -6.4847 -5.2833 -5.2833 -4.3223 -4.3223 -2.8513 -2.8513 -2.8293 -2.8293 -1.0556 -1.0556 -0.1146 -0.1146 1.3001 1.3001 1.8785 1.8785 1.9534 1.9534 2.1782 2.1782 2.9550 2.9550 3.6891 3.6891 3.8003 3.8003 4.3582 4.3582 4.8096 4.8096 4.8166 4.8166 4.8859 4.8859 5.4524 5.4524 5.8703 5.8703 6.0279 6.0279 6.3658 6.3658 7.0232 7.0232 10.7646 10.7646 11.1575 11.1575 11.9214 11.9214 12.7498 12.7498 12.9794 12.9794 k = 0.5917 0.2211-0.2777 ( 4178 PWs) bands (ev): -6.4870 -6.4870 -5.2431 -5.2431 -4.3416 -4.3416 -2.8923 -2.8923 -2.8669 -2.8669 -1.0002 -1.0002 -0.1345 -0.1345 1.3476 1.3476 1.8279 1.8279 1.9953 1.9953 2.1878 2.1878 2.9868 2.9868 3.6529 3.6529 3.7228 3.7228 4.4220 4.4220 4.7679 4.7679 4.8233 4.8233 4.9157 4.9157 5.4539 5.4539 5.9144 5.9144 5.9994 5.9994 6.3965 6.3965 7.0248 7.0248 10.7428 10.7428 11.2012 11.2012 11.9412 11.9412 12.7103 12.7103 12.9249 12.9249 k = 0.5826 0.2341-0.2777 ( 4176 PWs) bands (ev): -6.4899 -6.4899 -5.2025 -5.2025 -4.3591 -4.3591 -2.9530 -2.9530 -2.8812 -2.8812 -0.9469 -0.9469 -0.1536 -0.1536 1.3982 1.3982 1.7689 1.7689 2.0450 2.0450 2.1969 2.1969 3.0071 3.0071 3.6158 3.6158 3.6606 3.6606 4.4811 4.4811 4.7229 4.7229 4.8272 4.8272 4.9448 4.9448 5.4685 5.4685 5.8947 5.8947 6.0261 6.0261 6.4244 6.4244 7.0254 7.0254 10.7268 10.7268 11.2493 11.2493 11.9568 11.9568 12.6699 12.6699 12.8564 12.8564 k = 0.5734 0.2472-0.2777 ( 4172 PWs) bands (ev): -6.4932 -6.4932 -5.1624 -5.1624 -4.3748 -4.3748 -3.0111 -3.0111 -2.8941 -2.8941 -0.8963 -0.8963 -0.1716 -0.1716 1.4505 1.4505 1.7108 1.7108 2.0938 2.0938 2.2058 2.2058 3.0118 3.0118 3.5797 3.5797 3.6159 3.6159 4.5319 4.5319 4.6812 4.6812 4.8276 4.8276 4.9728 4.9728 5.4929 5.4929 5.8463 5.8463 6.0740 6.0740 6.4492 6.4492 7.0246 7.0246 10.7165 10.7165 11.3009 11.3009 11.9676 11.9676 12.6286 12.6286 12.7846 12.7846 k = 0.5642 0.2602-0.2777 ( 4168 PWs) bands (ev): -6.4965 -6.4965 -5.1235 -5.1235 -4.3887 -4.3887 -3.0657 -3.0657 -2.9054 -2.9054 -0.8489 -0.8489 -0.1881 -0.1881 1.5032 1.5032 1.6558 1.6558 2.1401 2.1401 2.2149 2.2149 2.9984 2.9984 3.5530 3.5530 3.5836 3.5836 4.5687 4.5687 4.6434 4.6434 4.8334 4.8334 4.9990 4.9990 5.5215 5.5215 5.7945 5.7945 6.1199 6.1199 6.4709 6.4709 7.0228 7.0228 10.7112 10.7112 11.3547 11.3547 11.9735 11.9735 12.5867 12.5867 12.7163 12.7163 k = 0.5550 0.2732-0.2777 ( 4162 PWs) bands (ev): -6.4998 -6.4998 -5.0869 -5.0869 -4.4008 -4.4008 -3.1159 -3.1159 -2.9153 -2.9153 -0.8056 -0.8056 -0.2029 -0.2029 1.5538 1.5538 1.6063 1.6063 2.1828 2.1828 2.2245 2.2245 2.9679 2.9679 3.5365 3.5365 3.5620 3.5620 4.5859 4.5859 4.6098 4.6098 4.8535 4.8535 5.0230 5.0230 5.5462 5.5462 5.7474 5.7474 6.1606 6.1606 6.4896 6.4896 7.0199 7.0199 10.7101 10.7101 11.4092 11.4092 11.9749 11.9749 12.5448 12.5448 12.6555 12.6555 k = 0.5459 0.2863-0.2777 ( 4158 PWs) bands (ev): -6.5029 -6.5029 -5.0535 -5.0535 -4.4110 -4.4110 -3.1607 -3.1607 -2.9237 -2.9237 -0.7670 -0.7670 -0.2157 -0.2157 1.5562 1.5562 1.6078 1.6078 2.2209 2.2209 2.2352 2.2352 2.9253 2.9253 3.5188 3.5188 3.5587 3.5587 4.5807 4.5807 4.5844 4.5844 4.8896 4.8896 5.0442 5.0442 5.5534 5.5534 5.7168 5.7168 6.1951 6.1951 6.5052 6.5052 7.0164 7.0164 10.7123 10.7123 11.4627 11.4627 11.9725 11.9725 12.5038 12.5038 12.6040 12.6040 k = 0.5367 0.2993-0.2777 ( 4154 PWs) bands (ev): -6.5055 -6.5055 -5.0244 -5.0244 -4.4193 -4.4193 -3.1991 -3.1991 -2.9306 -2.9306 -0.7340 -0.7340 -0.2263 -0.2263 1.5185 1.5185 1.6513 1.6513 2.2447 2.2447 2.2556 2.2556 2.8773 2.8773 3.4995 3.4995 3.5683 3.5683 4.5566 4.5566 4.5714 4.5714 4.9364 4.9364 5.0622 5.0622 5.5316 5.5316 5.7128 5.7128 6.2233 6.2233 6.5179 6.5179 7.0125 7.0125 10.7165 10.7165 11.5131 11.5131 11.9674 11.9674 12.4650 12.4650 12.5625 12.5625 k = 0.5275 0.3124-0.2777 ( 4150 PWs) bands (ev): -6.5077 -6.5077 -5.0005 -5.0005 -4.4258 -4.4258 -3.2303 -3.2303 -2.9359 -2.9359 -0.7073 -0.7073 -0.2348 -0.2348 1.4873 1.4873 1.6891 1.6891 2.2568 2.2568 2.2821 2.2821 2.8304 2.8304 3.4828 3.4828 3.5820 3.5820 4.5376 4.5376 4.5547 4.5547 4.9868 4.9868 5.0766 5.0766 5.4905 5.4905 5.7255 5.7255 6.2452 6.2452 6.5276 6.5276 7.0089 7.0089 10.7214 10.7214 11.5576 11.5576 11.9611 11.9611 12.4303 12.4303 12.5311 12.5311 k = 0.5183 0.3254-0.2777 ( 4148 PWs) bands (ev): -6.5093 -6.5093 -4.9827 -4.9827 -4.4305 -4.4305 -3.2533 -3.2533 -2.9397 -2.9397 -0.6877 -0.6877 -0.2408 -0.2408 1.4642 1.4642 1.7182 1.7182 2.2677 2.2677 2.3020 2.3020 2.7909 2.7909 3.4701 3.4701 3.5948 3.5948 4.5239 4.5239 4.5395 4.5395 5.0343 5.0343 5.0871 5.0871 5.4462 5.4462 5.7406 5.7406 6.2608 6.2608 6.5345 6.5345 7.0059 7.0059 10.7260 10.7260 11.5931 11.5931 11.9552 11.9552 12.4023 12.4023 12.5093 12.5093 k = 0.5092 0.3385-0.2777 ( 4156 PWs) bands (ev): -6.5103 -6.5103 -4.9717 -4.9717 -4.4333 -4.4333 -3.2674 -3.2674 -2.9420 -2.9420 -0.6757 -0.6757 -0.2445 -0.2445 1.4500 1.4500 1.7365 1.7365 2.2757 2.2757 2.3143 2.3143 2.7641 2.7641 3.4622 3.4622 3.6038 3.6038 4.5157 4.5157 4.5292 4.5292 5.0708 5.0708 5.0934 5.0934 5.4109 5.4109 5.7515 5.7515 6.2700 6.2700 6.5386 6.5386 7.0039 7.0039 10.7292 10.7292 11.6163 11.6163 11.9510 11.9510 12.3839 12.3839 12.4966 12.4966 k = 0.5000 0.3515-0.2777 ( 4152 PWs) bands (ev): -6.5106 -6.5106 -4.9679 -4.9679 -4.4342 -4.4342 -3.2721 -3.2721 -2.9428 -2.9428 -0.6717 -0.6717 -0.2457 -0.2457 1.4453 1.4453 1.7428 1.7428 2.2787 2.2787 2.3184 2.3184 2.7546 2.7546 3.4595 3.4595 3.6069 3.6069 4.5129 4.5129 4.5255 4.5255 5.0853 5.0853 5.0954 5.0954 5.3969 5.3969 5.7553 5.7553 6.2731 6.2731 6.5399 6.5399 7.0032 7.0032 10.7303 10.7303 11.6243 11.6243 11.9495 11.9495 12.3775 12.3775 12.4924 12.4924 k = 0.5000 0.3515-0.2777 ( 4152 PWs) bands (ev): -6.5106 -6.5106 -4.9679 -4.9679 -4.4342 -4.4342 -3.2721 -3.2721 -2.9428 -2.9428 -0.6717 -0.6717 -0.2457 -0.2457 1.4453 1.4453 1.7428 1.7428 2.2787 2.2787 2.3184 2.3184 2.7546 2.7546 3.4595 3.4595 3.6069 3.6069 4.5129 4.5129 4.5255 4.5255 5.0853 5.0853 5.0954 5.0954 5.3969 5.3969 5.7553 5.7553 6.2731 6.2731 6.5399 6.5399 7.0032 7.0032 10.7303 10.7303 11.6243 11.6243 11.9495 11.9495 12.3775 12.3775 12.4924 12.4924 k = 0.5056 0.3555-0.2626 ( 4157 PWs) bands (ev): -6.5103 -6.5103 -4.9684 -4.9684 -4.4332 -4.4332 -3.2715 -3.2715 -2.9448 -2.9448 -0.6761 -0.6761 -0.2401 -0.2401 1.4380 1.4380 1.7458 1.7458 2.2713 2.2713 2.3159 2.3159 2.7636 2.7636 3.4572 3.4572 3.6144 3.6144 4.5122 4.5122 4.5265 4.5265 5.0666 5.0666 5.1209 5.1209 5.3977 5.3977 5.7559 5.7559 6.2730 6.2730 6.5394 6.5394 6.9979 6.9979 10.7322 10.7322 11.6233 11.6233 11.9502 11.9502 12.3741 12.3741 12.4909 12.4909 k = 0.5112 0.3594-0.2476 ( 4154 PWs) bands (ev): -6.5094 -6.5094 -4.9697 -4.9697 -4.4300 -4.4300 -3.2694 -3.2694 -2.9508 -2.9508 -0.6892 -0.6892 -0.2235 -0.2235 1.4169 1.4169 1.7547 1.7547 2.2497 2.2497 2.3085 2.3085 2.7897 2.7897 3.4503 3.4503 3.6365 3.6365 4.5102 4.5102 4.5294 4.5294 5.0507 5.0507 5.1570 5.1570 5.4000 5.4000 5.7577 5.7577 6.2726 6.2726 6.5377 6.5377 6.9820 6.9820 10.7378 10.7378 11.6203 11.6203 11.9524 11.9524 12.3640 12.3640 12.4867 12.4867 k = 0.5168 0.3634-0.2325 ( 4154 PWs) bands (ev): -6.5079 -6.5079 -4.9719 -4.9719 -4.4247 -4.4247 -3.2660 -3.2660 -2.9604 -2.9604 -0.7106 -0.7106 -0.1962 -0.1962 1.3832 1.3832 1.7690 1.7690 2.2152 2.2152 2.2972 2.2972 2.8305 2.8305 3.4389 3.4389 3.6720 3.6720 4.5072 4.5072 4.5342 4.5342 5.0415 5.0415 5.1991 5.1991 5.4039 5.4039 5.7607 5.7607 6.2720 6.2720 6.5348 6.5348 6.9559 6.9559 10.7470 10.7470 11.6149 11.6149 11.9559 11.9559 12.3478 12.3478 12.4795 12.4795 k = 0.5224 0.3673-0.2174 ( 4157 PWs) bands (ev): -6.5058 -6.5058 -4.9750 -4.9750 -4.4173 -4.4173 -3.2613 -3.2613 -2.9733 -2.9733 -0.7395 -0.7395 -0.1588 -0.1588 1.3388 1.3388 1.7880 1.7880 2.1699 2.1699 2.2826 2.2826 2.8835 2.8835 3.4235 3.4235 3.7192 3.7192 4.5037 4.5037 4.5408 4.5408 5.0390 5.0390 5.2461 5.2461 5.4091 5.4091 5.7650 5.7650 6.2712 6.2712 6.5306 6.5306 6.9203 6.9203 10.7599 10.7599 11.6069 11.6069 11.9607 11.9607 12.3261 12.3261 12.4693 12.4693 k = 0.5280 0.3712-0.2023 ( 4165 PWs) bands (ev): -6.5033 -6.5033 -4.9789 -4.9789 -4.4078 -4.4078 -3.2553 -3.2553 -2.9890 -2.9890 -0.7754 -0.7754 -0.1120 -0.1120 1.2860 1.2860 1.8110 1.8110 2.1158 2.1158 2.2654 2.2654 2.9460 2.9460 3.4048 3.4048 3.7760 3.7760 4.5000 4.5000 4.5494 4.5494 5.0426 5.0426 5.2971 5.2971 5.4155 5.4155 5.7706 5.7706 6.2702 6.2702 6.5248 6.5248 6.8759 6.8759 10.7763 10.7763 11.5959 11.5959 11.9665 11.9665 12.2999 12.2999 12.4561 12.4561 k = 0.5336 0.3752-0.1872 ( 4167 PWs) bands (ev): -6.5003 -6.5003 -4.9836 -4.9836 -4.3962 -4.3962 -3.2480 -3.2480 -3.0068 -3.0068 -0.8175 -0.8175 -0.0564 -0.0564 1.2266 1.2266 1.8367 1.8367 2.0551 2.0551 2.2457 2.2457 3.0157 3.0157 3.3839 3.3839 3.8405 3.8405 4.4968 4.4968 4.5598 4.5598 5.0518 5.0518 5.3512 5.3512 5.4230 5.4230 5.7777 5.7777 6.2691 6.2691 6.5170 6.5170 6.8242 6.8242 10.7961 10.7961 11.5813 11.5813 11.9733 11.9733 12.2701 12.2701 12.4399 12.4399 k = 0.5392 0.3791-0.1722 ( 4173 PWs) bands (ev): -6.4969 -6.4969 -4.9892 -4.9892 -4.3827 -4.3827 -3.2394 -3.2394 -3.0261 -3.0261 -0.8651 -0.8651 0.0072 0.0072 1.1624 1.1624 1.8637 1.8637 1.9896 1.9896 2.2238 2.2238 3.0908 3.0908 3.3620 3.3620 3.9110 3.9110 4.4945 4.4945 4.5721 4.5721 5.0658 5.0658 5.4071 5.4071 5.4313 5.4313 5.7864 5.7864 6.2680 6.2680 6.5059 6.5059 6.7675 6.7675 10.8190 10.8190 11.5627 11.5627 11.9806 11.9806 12.2375 12.2375 12.4209 12.4209 k = 0.5448 0.3831-0.1571 ( 4173 PWs) bands (ev): -6.4932 -6.4932 -4.9954 -4.9954 -4.3671 -4.3671 -3.2295 -3.2295 -3.0463 -3.0463 -0.9173 -0.9173 0.0781 0.0781 1.0947 1.0947 1.8878 1.8878 1.9235 1.9235 2.1997 2.1997 3.1699 3.1699 3.3404 3.3404 3.9861 3.9861 4.4934 4.4934 4.5862 4.5862 5.0840 5.0840 5.4388 5.4388 5.4651 5.4651 5.7968 5.7968 6.2668 6.2668 6.4889 6.4889 6.7097 6.7097 10.8448 10.8448 11.5396 11.5396 11.9881 11.9881 12.2032 12.2032 12.3993 12.3993 k = 0.5505 0.3870-0.1420 ( 4174 PWs) bands (ev): -6.4894 -6.4894 -5.0024 -5.0024 -4.3496 -4.3496 -3.2185 -3.2185 -3.0667 -3.0667 -0.9735 -0.9735 0.1556 0.1556 1.0248 1.0248 1.8440 1.8440 1.9217 1.9217 2.1736 2.1736 3.2515 3.2515 3.3205 3.3205 4.0643 4.0643 4.4940 4.4940 4.6020 4.6020 5.1055 5.1055 5.4474 5.4474 5.5216 5.5216 5.8092 5.8092 6.2658 6.2658 6.4612 6.4612 6.6571 6.6571 10.8733 10.8733 11.5116 11.5116 11.9953 11.9953 12.1677 12.1677 12.3752 12.3752 k = 0.5561 0.3909-0.1269 ( 4168 PWs) bands (ev): -6.4855 -6.4855 -5.0100 -5.0100 -4.3302 -4.3302 -3.2063 -3.2063 -3.0866 -3.0866 -1.0332 -1.0332 0.2389 0.2389 0.9536 0.9536 1.7711 1.7711 1.9451 1.9451 2.1455 2.1455 3.3017 3.3017 3.3368 3.3368 4.1444 4.1444 4.4967 4.4967 4.6195 4.6195 5.1298 5.1298 5.4554 5.4554 5.5763 5.5763 5.8235 5.8235 6.2648 6.2648 6.4175 6.4175 6.6173 6.6173 10.9041 10.9041 11.4786 11.4786 12.0016 12.0016 12.1320 12.1320 12.3488 12.3488 k = 0.5617 0.3949-0.1118 ( 4175 PWs) bands (ev): -6.4817 -6.4817 -5.0180 -5.0180 -4.3088 -4.3088 -3.1930 -3.1930 -3.1056 -3.1056 -1.0955 -1.0955 0.3272 0.3272 0.8818 0.8818 1.6964 1.6964 1.9656 1.9656 2.1156 2.1156 3.2892 3.2892 3.4209 3.4209 4.2247 4.2247 4.5027 4.5027 4.6388 4.6388 5.1560 5.1560 5.4625 5.4625 5.6265 5.6265 5.8400 5.8400 6.2631 6.2631 6.3590 6.3590 6.5926 6.5926 10.9367 10.9367 11.4404 11.4404 12.0064 12.0064 12.0968 12.0968 12.3199 12.3199 k = 0.5673 0.3988-0.0967 ( 4171 PWs) bands (ev): -6.4781 -6.4781 -5.0265 -5.0265 -4.2857 -4.2857 -3.1786 -3.1786 -3.1231 -3.1231 -1.1601 -1.1601 0.4197 0.4197 0.8101 0.8101 1.6214 1.6214 1.9816 1.9816 2.0838 2.0838 3.2814 3.2814 3.5059 3.5059 4.3023 4.3023 4.5141 4.5141 4.6596 4.6596 5.1835 5.1835 5.4683 5.4683 5.6687 5.6687 5.8587 5.8587 6.2548 6.2548 6.2999 6.2999 6.5793 6.5793 10.9705 10.9705 11.3974 11.3974 12.0089 12.0089 12.0627 12.0627 12.2884 12.2884 k = 0.5729 0.4028-0.0817 ( 4178 PWs) bands (ev): -6.4750 -6.4750 -5.0351 -5.0351 -4.2607 -4.2607 -3.1634 -3.1634 -3.1387 -3.1387 -1.2264 -1.2264 0.5153 0.5153 0.7390 0.7390 1.5470 1.5470 1.9920 1.9920 2.0505 2.0505 3.2797 3.2797 3.5908 3.5908 4.3711 4.3711 4.5363 4.5363 4.6821 4.6821 5.2116 5.2116 5.4726 5.4726 5.6965 5.6965 5.8795 5.8795 6.2131 6.2131 6.2783 6.2783 6.5730 6.5730 11.0048 11.0048 11.3498 11.3498 12.0083 12.0083 12.0309 12.0309 12.2536 12.2536 k = 0.5785 0.4067-0.0666 ( 4176 PWs) bands (ev): -6.4724 -6.4724 -5.0437 -5.0437 -4.2339 -4.2339 -3.1528 -3.1528 -3.1464 -3.1464 -1.2939 -1.2939 0.6126 0.6126 0.6694 0.6694 1.4739 1.4739 1.9962 1.9962 2.0159 2.0159 3.2848 3.2848 3.6750 3.6750 4.4214 4.4214 4.5786 4.5786 4.7062 4.7062 5.2397 5.2397 5.4749 5.4749 5.7008 5.7008 5.9021 5.9021 6.1668 6.1668 6.2777 6.2777 6.5714 6.5714 11.0388 11.0388 11.2983 11.2983 11.9988 11.9988 12.0071 12.0071 12.2149 12.2149 k = 0.5841 0.4107-0.0515 ( 4180 PWs) bands (ev): -6.4705 -6.4705 -5.0521 -5.0521 -4.2054 -4.2054 -3.1631 -3.1631 -3.1298 -3.1298 -1.3623 -1.3623 0.5992 0.5992 0.7122 0.7122 1.4036 1.4036 1.9794 1.9794 1.9946 1.9946 3.2970 3.2970 3.7579 3.7579 4.4502 4.4502 4.6429 4.6429 4.7317 4.7317 5.2672 5.2672 5.4751 5.4751 5.6732 5.6732 5.9263 5.9263 6.1435 6.1435 6.2809 6.2809 6.5735 6.5735 11.0715 11.0715 11.2435 11.2435 11.9746 11.9746 11.9978 11.9978 12.1719 12.1719 k = 0.5897 0.4146-0.0364 ( 4182 PWs) bands (ev): -6.4697 -6.4697 -5.0600 -5.0600 -4.1752 -4.1752 -3.1711 -3.1711 -3.1119 -3.1119 -1.4311 -1.4311 0.5322 0.5322 0.8078 0.8078 1.3384 1.3384 1.9422 1.9422 1.9865 1.9865 3.3161 3.3161 3.8393 3.8393 4.4665 4.4665 4.7194 4.7194 4.7589 4.7589 5.2932 5.2932 5.4729 5.4729 5.6148 5.6148 5.9518 5.9518 6.1456 6.1456 6.2864 6.2864 6.5788 6.5788 11.1016 11.1016 11.1863 11.1863 11.9540 11.9540 11.9853 11.9853 12.1246 12.1246 k = 0.5953 0.4185-0.0213 ( 4180 PWs) bands (ev): -6.4700 -6.4700 -5.0672 -5.0672 -4.1434 -4.1434 -3.1762 -3.1762 -3.0934 -3.0934 -1.5002 -1.5002 0.4670 0.4670 0.8948 0.8948 1.2839 1.2839 1.9040 1.9040 1.9732 1.9732 3.3418 3.3418 3.9187 3.9187 4.4769 4.4769 4.7863 4.7863 4.8011 4.8011 5.3165 5.3165 5.4675 5.4675 5.5375 5.5375 5.9785 5.9785 6.1646 6.1646 6.2937 6.2937 6.5869 6.5869 11.1234 11.1234 11.1321 11.1321 11.9391 11.9391 11.9680 11.9680 12.0737 12.0737 k = 0.6009 0.4225-0.0063 ( 4180 PWs) bands (ev): -6.4716 -6.4716 -5.0735 -5.0735 -4.1099 -4.1099 -3.1782 -3.1782 -3.0743 -3.0743 -1.5691 -1.5691 0.4039 0.4039 0.9579 0.9579 1.2547 1.2547 1.8649 1.8649 1.9557 1.9557 3.3735 3.3735 3.9956 3.9956 4.4841 4.4841 4.8166 4.8166 4.8803 4.8803 5.3315 5.3315 5.4434 5.4434 5.4731 5.4731 6.0058 6.0058 6.1917 6.1917 6.3029 6.3029 6.5978 6.5978 11.0672 11.0672 11.1502 11.1502 11.9302 11.9302 11.9450 11.9450 12.0216 12.0216 k = 0.6009 0.4225-0.0063 ( 4180 PWs) bands (ev): -6.4716 -6.4716 -5.0735 -5.0735 -4.1099 -4.1099 -3.1782 -3.1782 -3.0743 -3.0743 -1.5691 -1.5691 0.4039 0.4039 0.9579 0.9579 1.2547 1.2547 1.8649 1.8649 1.9557 1.9557 3.3735 3.3735 3.9956 3.9956 4.4841 4.4841 4.8166 4.8166 4.8803 4.8803 5.3315 5.3315 5.4434 5.4434 5.4731 5.4731 6.0058 6.0058 6.1917 6.1917 6.3029 6.3029 6.5978 6.5978 11.0672 11.0672 11.1502 11.1502 11.9302 11.9302 11.9450 11.9450 12.0216 12.0216 k = 0.5953 0.4185 0.0092 ( 4180 PWs) bands (ev): -6.4763 -6.4763 -5.0560 -5.0560 -4.0878 -4.0878 -3.1783 -3.1783 -3.0626 -3.0626 -1.6479 -1.6479 0.3330 0.3330 0.9265 0.9265 1.2253 1.2253 1.8836 1.8836 1.9770 1.9770 3.4764 3.4764 4.0777 4.0777 4.4452 4.4452 4.7817 4.7817 4.9539 4.9539 5.3327 5.3327 5.4464 5.4464 5.4727 5.4727 6.0429 6.0429 6.1983 6.1983 6.3308 6.3308 6.6483 6.6483 11.0013 11.0013 11.1359 11.1359 11.8748 11.8748 11.9114 11.9114 11.9801 11.9801 k = 0.5897 0.4146 0.0246 ( 4177 PWs) bands (ev): -6.4820 -6.4820 -5.0401 -5.0401 -4.0599 -4.0599 -3.1762 -3.1762 -3.0503 -3.0503 -1.7280 -1.7280 0.2640 0.2640 0.8401 0.8401 1.2542 1.2542 1.9019 1.9019 1.9993 1.9993 3.5793 3.5793 4.1564 4.1564 4.3981 4.3981 4.7468 4.7468 5.0275 5.0275 5.2676 5.2676 5.4561 5.4561 5.5313 5.5313 6.0836 6.0836 6.2088 6.2088 6.3587 6.3587 6.6987 6.6987 10.9327 10.9327 11.1239 11.1239 11.7948 11.7948 11.8915 11.8915 11.9507 11.9507 k = 0.5841 0.4107 0.0400 ( 4171 PWs) bands (ev): -6.4885 -6.4885 -5.0259 -5.0259 -4.0262 -4.0262 -3.1718 -3.1718 -3.0376 -3.0376 -1.8089 -1.8089 0.1975 0.1975 0.7322 0.7322 1.3084 1.3084 1.9196 1.9196 2.0221 2.0221 3.6810 3.6810 4.2279 4.2279 4.3509 4.3509 4.7124 4.7124 5.0885 5.0885 5.2029 5.2029 5.4535 5.4535 5.6117 5.6117 6.1258 6.1258 6.2233 6.2233 6.3861 6.3861 6.7486 6.7486 10.8619 10.8619 11.1141 11.1141 11.7100 11.7100 11.8747 11.8747 11.9262 11.9262 k = 0.5785 0.4067 0.0555 ( 4173 PWs) bands (ev): -6.4956 -6.4956 -5.0137 -5.0137 -3.9868 -3.9868 -3.1654 -3.1654 -3.0246 -3.0246 -1.8904 -1.8904 0.1335 0.1335 0.6189 0.6189 1.3720 1.3720 1.9367 1.9367 2.0454 2.0454 3.7798 3.7798 4.2627 4.2627 4.3352 4.3352 4.6789 4.6789 5.0803 5.0803 5.2005 5.2005 5.4522 5.4522 5.6945 5.6945 6.1680 6.1680 6.2417 6.2417 6.4123 6.4123 6.7971 6.7971 10.7894 10.7894 11.1069 11.1069 11.6246 11.6246 11.8604 11.8604 11.9046 11.9046 k = 0.5729 0.4028 0.0709 ( 4179 PWs) bands (ev): -6.5030 -6.5030 -5.0034 -5.0034 -3.9422 -3.9422 -3.1572 -3.1572 -3.0115 -3.0115 -1.9723 -1.9723 0.0724 0.0724 0.5061 0.5061 1.4394 1.4394 1.9532 1.9532 2.0689 2.0689 3.8722 3.8722 4.2289 4.2289 4.3856 4.3856 4.6470 4.6470 5.0129 5.0129 5.2512 5.2512 5.4541 5.4541 5.7774 5.7774 6.2092 6.2092 6.2637 6.2637 6.4370 6.4370 6.8438 6.8438 10.7158 10.7158 11.1022 11.1022 11.5405 11.5405 11.8484 11.8484 11.8852 11.8852 k = 0.5673 0.3988 0.0863 ( 4174 PWs) bands (ev): -6.5105 -6.5105 -4.9950 -4.9950 -3.8927 -3.8927 -3.1473 -3.1473 -2.9983 -2.9983 -2.0542 -2.0542 0.0144 0.0144 0.3963 0.3963 1.5085 1.5085 1.9691 1.9691 2.0923 2.0923 3.9495 3.9495 4.1938 4.1938 4.4415 4.4415 4.6180 4.6180 4.9389 4.9389 5.3031 5.3031 5.4603 5.4603 5.8595 5.8595 6.2484 6.2484 6.2889 6.2889 6.4598 6.4598 6.8880 6.8880 10.6416 10.6416 11.1001 11.1001 11.4591 11.4591 11.8384 11.8384 11.8681 11.8681 k = 0.5617 0.3949 0.1018 ( 4176 PWs) bands (ev): -6.5180 -6.5180 -4.9883 -4.9883 -3.8387 -3.8387 -3.1360 -3.1360 -2.9853 -2.9853 -2.1361 -2.1361 -0.0402 -0.0402 0.2909 0.2909 1.5779 1.5779 1.9842 1.9842 2.1156 2.1156 3.9881 3.9881 4.1919 4.1919 4.4874 4.4874 4.5957 4.5957 4.8660 4.8660 5.3496 5.3496 5.4712 5.4712 5.9399 5.9399 6.2852 6.2852 6.3168 6.3168 6.4803 6.4803 6.9294 6.9294 10.5676 10.5676 11.1006 11.1006 11.3815 11.3815 11.8302 11.8302 11.8532 11.8532 k = 0.5561 0.3909 0.1172 ( 4168 PWs) bands (ev): -6.5253 -6.5253 -4.9831 -4.9831 -3.7808 -3.7808 -3.1235 -3.1235 -2.9727 -2.9727 -2.2178 -2.2178 -0.0912 -0.0912 0.1909 0.1909 1.6467 1.6467 1.9984 1.9984 2.1385 2.1385 3.9733 3.9733 4.2386 4.2386 4.5093 4.5093 4.5921 4.5921 4.7969 4.7969 5.3900 5.3900 5.4870 5.4870 6.0178 6.0178 6.3193 6.3193 6.3465 6.3465 6.4982 6.4982 6.9674 6.9674 10.4946 10.4946 11.1036 11.1036 11.3086 11.3086 11.8235 11.8235 11.8406 11.8406 k = 0.5505 0.3870 0.1326 ( 4166 PWs) bands (ev): -6.5323 -6.5323 -4.9791 -4.9791 -3.7195 -3.7195 -3.1103 -3.1103 -2.9605 -2.9605 -2.2991 -2.2991 -0.1383 -0.1383 0.0972 0.0972 1.7139 1.7139 2.0117 2.0117 2.1608 2.1608 3.9320 3.9320 4.3069 4.3069 4.5014 4.5014 4.6114 4.6114 4.7345 4.7345 5.4245 5.4245 5.5072 5.5072 6.0922 6.0922 6.3506 6.3506 6.3772 6.3772 6.5133 6.5133 7.0016 7.0016 10.4235 10.4235 11.1088 11.1088 11.2411 11.2411 11.8181 11.8181 11.8301 11.8301 k = 0.5448 0.3831 0.1480 ( 4170 PWs) bands (ev): -6.5388 -6.5388 -4.9762 -4.9762 -3.6554 -3.6554 -3.0967 -3.0967 -2.9490 -2.9490 -2.3798 -2.3798 -0.1814 -0.1814 0.0107 0.0107 1.7787 1.7787 2.0239 2.0239 2.1823 2.1823 3.8829 3.8829 4.3761 4.3761 4.4831 4.4831 4.6260 4.6260 4.6894 4.6894 5.4537 5.4537 5.5313 5.5313 6.1622 6.1622 6.3790 6.3790 6.4077 6.4077 6.5255 6.5255 7.0318 7.0318 10.3554 10.3554 11.1158 11.1158 11.1795 11.1795 11.8138 11.8138 11.8217 11.8217 k = 0.5392 0.3791 0.1635 ( 4160 PWs) bands (ev): -6.5448 -6.5448 -4.9742 -4.9742 -3.5890 -3.5890 -3.0832 -3.0832 -2.9384 -2.9384 -2.4598 -2.4598 -0.2203 -0.2203 -0.0677 -0.0677 1.8400 1.8400 2.0351 2.0351 2.2028 2.2028 3.8326 3.8326 4.4334 4.4334 4.4671 4.4671 4.6044 4.6044 4.6883 4.6883 5.4781 5.4781 5.5583 5.5583 6.2267 6.2267 6.4047 6.4047 6.4370 6.4370 6.5348 6.5348 7.0579 7.0579 10.2915 10.2915 11.1225 11.1225 11.1261 11.1261 11.8105 11.8105 11.8152 11.8152 k = 0.5336 0.3752 0.1789 ( 4156 PWs) bands (ev): -6.5501 -6.5501 -4.9728 -4.9728 -3.5210 -3.5210 -3.0701 -3.0701 -2.9287 -2.9287 -2.5388 -2.5388 -0.2550 -0.2550 -0.1373 -0.1373 1.8967 1.8967 2.0449 2.0449 2.2220 2.2220 3.7840 3.7840 4.4379 4.4379 4.4811 4.4811 4.5837 4.5837 4.7057 4.7057 5.4979 5.4979 5.5867 5.5867 6.2848 6.2848 6.4280 6.4280 6.4639 6.4639 6.5416 6.5416 7.0797 7.0797 10.2330 10.2330 11.0756 11.0756 11.1337 11.1337 11.8079 11.8079 11.8105 11.8105 k = 0.5280 0.3712 0.1943 ( 4145 PWs) bands (ev): -6.5548 -6.5548 -4.9719 -4.9719 -3.4522 -3.4522 -3.0580 -3.0580 -2.9202 -2.9202 -2.6164 -2.6164 -0.2853 -0.2853 -0.1971 -0.1971 1.9476 1.9476 2.0535 2.0535 2.2396 2.2396 3.7389 3.7389 4.4222 4.4222 4.4735 4.4735 4.6012 4.6012 4.7236 4.7236 5.5139 5.5139 5.6150 5.6150 6.3352 6.3352 6.4492 6.4492 6.4874 6.4874 6.5461 6.5461 7.0974 7.0974 10.1811 10.1811 11.0341 11.0341 11.1432 11.1432 11.8059 11.8059 11.8071 11.8071 k = 0.5224 0.3673 0.2098 ( 4140 PWs) bands (ev): -6.5587 -6.5587 -4.9714 -4.9714 -3.3834 -3.3834 -3.0473 -3.0473 -2.9131 -2.9131 -2.6918 -2.6918 -0.3116 -0.3116 -0.2459 -0.2459 1.9913 1.9913 2.0606 2.0606 2.2554 2.2554 3.6989 3.6989 4.4073 4.4073 4.4484 4.4484 4.6338 4.6338 4.7401 4.7401 5.5263 5.5263 5.6414 5.6414 6.3767 6.3767 6.4689 6.4689 6.5062 6.5062 6.5491 6.5491 7.1112 7.1112 10.1369 10.1369 10.9998 10.9998 11.1522 11.1522 11.8044 11.8044 11.8049 11.8049 k = 0.5168 0.3634 0.2252 ( 4142 PWs) bands (ev): -6.5618 -6.5618 -4.9711 -4.9711 -3.3165 -3.3165 -3.0385 -3.0385 -2.9074 -2.9074 -2.7636 -2.7636 -0.3339 -0.3339 -0.2829 -0.2829 2.0267 2.0267 2.0663 2.0663 2.2688 2.2688 3.6656 3.6656 4.3941 4.3941 4.4252 4.4252 4.6617 4.6617 4.7552 4.7552 5.5357 5.5357 5.6640 5.6640 6.4079 6.4079 6.4879 6.4879 6.5195 6.5195 6.5510 6.5510 7.1213 7.1213 10.1013 10.1013 10.9729 10.9729 11.1601 11.1601 11.8033 11.8033 11.8037 11.8037 k = 0.5112 0.3594 0.2406 ( 4147 PWs) bands (ev): -6.5640 -6.5640 -4.9710 -4.9710 -3.2548 -3.2548 -3.0319 -3.0319 -2.9033 -2.9033 -2.8286 -2.8286 -0.3520 -0.3520 -0.3077 -0.3077 2.0526 2.0526 2.0704 2.0704 2.2792 2.2792 3.6405 3.6405 4.3829 4.3829 4.4089 4.4089 4.6805 4.6805 4.7682 4.7682 5.5422 5.5422 5.6814 5.6814 6.4287 6.4287 6.5056 6.5056 6.5273 6.5273 6.5519 6.5519 7.1283 7.1283 10.0753 10.0753 10.9536 10.9536 11.1662 11.1662 11.8025 11.8025 11.8029 11.8029 k = 0.5056 0.3555 0.2560 ( 4145 PWs) bands (ev): -6.5653 -6.5653 -4.9709 -4.9709 -3.2061 -3.2061 -3.0279 -3.0279 -2.9008 -2.9008 -2.8791 -2.8791 -0.3641 -0.3641 -0.3215 -0.3215 2.0683 2.0683 2.0728 2.0728 2.2859 2.2859 3.6249 3.6249 4.3749 4.3749 4.3999 4.3999 4.6910 4.6910 4.7772 4.7772 5.5461 5.5461 5.6924 5.6924 6.4401 6.4401 6.5197 6.5197 6.5309 6.5309 6.5512 6.5512 7.1323 7.1323 10.0594 10.0594 10.9420 10.9420 11.1701 11.1701 11.8021 11.8021 11.8026 11.8026 k = 0.5000 0.3515 0.2715 ( 4144 PWs) bands (ev): -6.5658 -6.5658 -4.9709 -4.9709 -3.1861 -3.1861 -3.0266 -3.0266 -2.9016 -2.9016 -2.8981 -2.8981 -0.3684 -0.3684 -0.3259 -0.3259 2.0736 2.0736 2.0737 2.0737 2.2881 2.2881 3.6195 3.6195 4.3720 4.3720 4.3972 4.3972 4.6943 4.6943 4.7805 4.7805 5.5474 5.5474 5.6961 5.6961 6.4437 6.4437 6.5256 6.5256 6.5319 6.5319 6.5502 6.5502 7.1336 7.1336 10.0541 10.0541 10.9381 10.9381 11.1714 11.1714 11.8020 11.8020 11.8024 11.8024 k = 0.5000-0.1798-0.1389 ( 4208 PWs) bands (ev): -6.6371 -6.6371 -5.7620 -5.7620 -2.9866 -2.9866 -2.6137 -2.6137 -2.4068 -2.4068 -1.7479 -1.7479 0.0295 0.0295 0.3141 0.3141 1.0265 1.0265 1.6616 1.6616 2.7195 2.7195 3.1742 3.1742 3.2879 3.2879 3.6923 3.6923 4.4304 4.4304 4.6415 4.6415 4.9542 4.9542 5.4649 5.4649 5.7767 5.7767 5.9625 5.9625 6.0082 6.0082 6.1271 6.1271 7.2324 7.2324 9.8442 9.8442 11.4737 11.4737 11.7578 11.7578 12.4355 12.4355 12.8300 12.8300 k = 0.5070-0.1677-0.1295 ( 4208 PWs) bands (ev): -6.6367 -6.6367 -5.7610 -5.7610 -2.9903 -2.9903 -2.6150 -2.6150 -2.4070 -2.4070 -1.7490 -1.7490 0.0324 0.0324 0.3187 0.3187 1.0251 1.0251 1.6593 1.6593 2.7260 2.7260 3.1708 3.1708 3.2903 3.2903 3.6827 3.6827 4.4357 4.4357 4.6431 4.6431 4.9546 4.9546 5.4674 5.4674 5.7769 5.7769 5.9633 5.9633 6.0083 6.0083 6.1276 6.1276 7.2285 7.2285 9.8481 9.8481 11.4735 11.4735 11.7590 11.7590 12.4295 12.4295 12.8307 12.8307 k = 0.5139-0.1556-0.1201 ( 4201 PWs) bands (ev): -6.6354 -6.6354 -5.7579 -5.7579 -3.0012 -3.0012 -2.6188 -2.6188 -2.4081 -2.4081 -1.7517 -1.7517 0.0409 0.0409 0.3321 0.3321 1.0213 1.0213 1.6529 1.6529 2.7450 2.7450 3.1608 3.1608 3.2976 3.2976 3.6551 3.6551 4.4507 4.4507 4.6479 4.6479 4.9557 4.9557 5.4746 5.4746 5.7774 5.7774 5.9657 5.9657 6.0083 6.0083 6.1288 6.1288 7.2167 7.2167 9.8598 9.8598 11.4729 11.4729 11.7625 11.7625 12.4121 12.4121 12.8326 12.8326 k = 0.5209-0.1435-0.1108 ( 4202 PWs) bands (ev): -6.6334 -6.6334 -5.7529 -5.7529 -3.0187 -3.0187 -2.6251 -2.6251 -2.4111 -2.4111 -1.7553 -1.7553 0.0550 0.0550 0.3539 0.3539 1.0149 1.0149 1.6430 1.6430 2.7752 2.7752 3.1450 3.1450 3.3095 3.3095 3.6121 3.6121 4.4730 4.4730 4.6555 4.6555 4.9575 4.9575 5.4865 5.4865 5.7784 5.7784 5.9696 5.9696 6.0084 6.0084 6.1309 6.1309 7.1972 7.1972 9.8792 9.8792 11.4719 11.4719 11.7684 11.7684 12.3846 12.3846 12.8354 12.8354 k = 0.5278-0.1313-0.1014 ( 4196 PWs) bands (ev): -6.6305 -6.6305 -5.7459 -5.7459 -3.0420 -3.0420 -2.6338 -2.6338 -2.4174 -2.4174 -1.7585 -1.7585 0.0746 0.0746 0.3833 0.3833 1.0063 1.0063 1.6311 1.6311 2.8139 2.8139 3.1253 3.1253 3.3258 3.3258 3.5570 3.5570 4.5000 4.5000 4.6656 4.6656 4.9602 4.9602 5.5025 5.5025 5.7797 5.7797 5.9748 5.9748 6.0085 6.0085 6.1339 6.1339 7.1702 7.1702 9.9059 9.9059 11.4707 11.4707 11.7766 11.7766 12.3490 12.3490 12.8387 12.8387 k = 0.5348-0.1192-0.0921 ( 4191 PWs) bands (ev): -6.6268 -6.6268 -5.7369 -5.7369 -3.0702 -3.0702 -2.6447 -2.6447 -2.4286 -2.4286 -1.7599 -1.7599 0.0992 0.0992 0.4193 0.4193 0.9957 0.9957 1.6184 1.6184 2.8562 2.8562 3.1056 3.1056 3.3462 3.3462 3.4929 3.4929 4.5293 4.5293 4.6777 4.6777 4.9637 4.9637 5.5224 5.5224 5.7813 5.7813 5.9808 5.9808 6.0086 6.0086 6.1380 6.1380 7.1359 7.1359 9.9399 9.9399 11.4693 11.4693 11.7871 11.7871 12.3075 12.3075 12.8419 12.8419 k = 0.5418-0.1071-0.0827 ( 4187 PWs) bands (ev): -6.6224 -6.6224 -5.7259 -5.7259 -3.1025 -3.1025 -2.6576 -2.6576 -2.4458 -2.4458 -1.7583 -1.7583 0.1287 0.1287 0.4608 0.4608 0.9834 0.9834 1.6065 1.6065 2.8911 2.8911 3.0957 3.0957 3.3697 3.3697 3.4234 3.4234 4.5593 4.5593 4.6914 4.6914 4.9683 4.9683 5.5455 5.5455 5.7831 5.7831 5.9868 5.9868 6.0087 6.0087 6.1435 6.1435 7.0945 7.0945 9.9805 9.9805 11.4679 11.4679 11.7997 11.7997 12.2623 12.2623 12.8445 12.8445 k = 0.5487-0.0950-0.0733 ( 4190 PWs) bands (ev): -6.6173 -6.6173 -5.7129 -5.7129 -3.1380 -3.1380 -2.6724 -2.6724 -2.4698 -2.4698 -1.7530 -1.7530 0.1627 0.1627 0.5065 0.5065 0.9699 0.9699 1.5964 1.5964 2.9007 2.9007 3.1126 3.1126 3.3458 3.3458 3.4009 3.4009 4.5889 4.5889 4.7060 4.7060 4.9739 4.9739 5.5715 5.5715 5.7850 5.7850 5.9918 5.9918 6.0091 6.0091 6.1509 6.1509 7.0466 7.0466 10.0275 10.0275 11.4665 11.4665 11.8145 11.8145 12.2157 12.2157 12.8461 12.8461 k = 0.5557-0.0828-0.0640 ( 4190 PWs) bands (ev): -6.6115 -6.6115 -5.6980 -5.6980 -3.1763 -3.1763 -2.6888 -2.6888 -2.5004 -2.5004 -1.7437 -1.7437 0.2006 0.2006 0.5553 0.5553 0.9556 0.9556 1.5892 1.5892 2.8788 2.8788 3.1601 3.1601 3.2724 3.2724 3.4310 3.4310 4.6175 4.6175 4.7211 4.7211 4.9808 4.9808 5.5997 5.5997 5.7869 5.7869 5.9941 5.9941 6.0101 6.0101 6.1608 6.1608 6.9925 6.9925 10.0802 10.0802 11.4652 11.4652 11.8312 11.8312 12.1694 12.1694 12.8461 12.8461 k = 0.5626-0.0707-0.0546 ( 4186 PWs) bands (ev): -6.6050 -6.6050 -5.6812 -5.6812 -3.2168 -3.2168 -2.7066 -2.7066 -2.5370 -2.5370 -1.7308 -1.7308 0.2418 0.2418 0.6061 0.6061 0.9413 0.9413 1.5858 1.5858 2.8369 2.8369 3.1799 3.1799 3.2456 3.2456 3.4647 3.4647 4.6445 4.6445 4.7367 4.7367 4.9889 4.9889 5.6299 5.6299 5.7886 5.7886 5.9920 5.9920 6.0121 6.0121 6.1736 6.1736 6.9329 6.9329 10.1380 10.1380 11.4642 11.4642 11.8496 11.8496 12.1254 12.1254 12.8438 12.8438 k = 0.5696-0.0586-0.0453 ( 4186 PWs) bands (ev): -6.5980 -6.5980 -5.6625 -5.6625 -3.2591 -3.2591 -2.7256 -2.7256 -2.5786 -2.5786 -1.7150 -1.7150 0.2855 0.2855 0.6578 0.6578 0.9277 0.9277 1.5865 1.5865 2.7835 2.7835 3.1111 3.1111 3.3194 3.3194 3.5011 3.5011 4.6694 4.6694 4.7529 4.7529 4.9986 4.9986 5.6616 5.6616 5.7898 5.7898 5.9852 5.9852 6.0145 6.0145 6.1893 6.1893 6.8683 6.8683 10.2003 10.2003 11.4632 11.4632 11.8692 11.8692 12.0853 12.0853 12.8381 12.8381 k = 0.5766-0.0465-0.0359 ( 4184 PWs) bands (ev): -6.5904 -6.5904 -5.6420 -5.6420 -3.3030 -3.3030 -2.7456 -2.7456 -2.6241 -2.6241 -1.6971 -1.6971 0.3307 0.3307 0.7096 0.7096 0.9159 0.9159 1.5915 1.5915 2.7222 2.7222 3.0396 3.0396 3.4048 3.4048 3.5402 3.5402 4.6914 4.6914 4.7704 4.7704 5.0100 5.0100 5.6944 5.6944 5.7905 5.7905 5.9736 5.9736 6.0168 6.0168 6.2075 6.2075 6.7996 6.7996 10.2664 10.2664 11.4624 11.4624 11.8890 11.8890 12.0510 12.0510 12.8279 12.8279 k = 0.5835-0.0344-0.0265 ( 4180 PWs) bands (ev): -6.5823 -6.5823 -5.6197 -5.6197 -3.3483 -3.3483 -2.7663 -2.7663 -2.6720 -2.6720 -1.6780 -1.6780 0.3759 0.3759 0.7607 0.7607 0.9073 0.9073 1.6005 1.6005 2.6545 2.6545 2.9726 2.9726 3.4921 3.4921 3.5838 3.5838 4.7098 4.7098 4.7900 4.7900 5.0232 5.0232 5.7270 5.7270 5.7911 5.7911 5.9574 5.9574 6.0189 6.0189 6.2276 6.2276 6.7278 6.7278 10.3355 10.3355 11.4617 11.4617 11.9069 11.9069 12.0252 12.0252 12.8122 12.8122 k = 0.5905-0.0222-0.0172 ( 4178 PWs) bands (ev): -6.5738 -6.5738 -5.5956 -5.5956 -3.3949 -3.3949 -2.7876 -2.7876 -2.7213 -2.7213 -1.6586 -1.6586 0.4192 0.4192 0.8107 0.8107 0.9038 0.9038 1.6128 1.6128 2.5813 2.5813 2.9125 2.9125 3.5710 3.5710 3.6398 3.6398 4.7242 4.7242 4.8123 4.8123 5.0384 5.0384 5.7550 5.7550 5.7943 5.7943 5.9375 5.9375 6.0206 6.0206 6.2486 6.2486 6.6540 6.6540 10.4066 10.4066 11.4607 11.4607 11.9182 11.9182 12.0129 12.0129 12.7899 12.7899 k = 0.5974-0.0101-0.0078 ( 4174 PWs) bands (ev): -6.5650 -6.5650 -5.5698 -5.5698 -3.4427 -3.4427 -2.8092 -2.8092 -2.7707 -2.7707 -1.6394 -1.6394 0.4580 0.4580 0.8592 0.8592 0.9079 0.9079 1.6273 1.6273 2.5034 2.5034 2.8609 2.8609 3.6284 3.6284 3.7195 3.7195 4.7349 4.7349 4.8371 4.8371 5.0557 5.0557 5.7653 5.7653 5.8088 5.8088 5.9173 5.9173 6.0216 6.0216 6.2696 6.2696 6.5797 6.5797 10.4788 10.4788 11.4594 11.4594 11.9189 11.9189 12.0179 12.0179 12.7613 12.7613 k = 0.6044 0.0020 0.0016 ( 4174 PWs) bands (ev): -6.5559 -6.5559 -5.5424 -5.5424 -3.4916 -3.4916 -2.8312 -2.8312 -2.8191 -2.8191 -1.6211 -1.6211 0.4897 0.4897 0.9059 0.9059 0.9223 0.9223 1.6423 1.6423 2.4218 2.4218 2.8193 2.8193 3.6724 3.6724 3.8133 3.8133 4.7428 4.7428 4.8639 4.8639 5.0752 5.0752 5.7594 5.7594 5.8195 5.8195 5.9098 5.9098 6.0216 6.0216 6.2897 6.2897 6.5070 6.5070 10.5511 10.5511 11.4575 11.4575 11.9130 11.9130 12.0356 12.0356 12.7275 12.7275 k = 0.6113 0.0141 0.0109 ( 4176 PWs) bands (ev): -6.5467 -6.5467 -5.5134 -5.5134 -3.5415 -3.5415 -2.8668 -2.8668 -2.8522 -2.8522 -1.6041 -1.6041 0.5120 0.5120 0.9477 0.9477 0.9522 0.9522 1.6563 1.6563 2.3376 2.3376 2.7890 2.7890 3.7116 3.7116 3.9114 3.9114 4.7491 4.7491 4.8921 4.8921 5.0969 5.0969 5.7447 5.7447 5.8018 5.8018 5.9307 5.9307 6.0201 6.0201 6.3080 6.3080 6.4383 6.4383 10.6224 10.6224 11.4546 11.4546 11.9067 11.9067 12.0589 12.0589 12.6914 12.6914 k = 0.6183 0.0263 0.0203 ( 4179 PWs) bands (ev): -6.5374 -6.5374 -5.4830 -5.4830 -3.5922 -3.5922 -2.9114 -2.9114 -2.8739 -2.8739 -1.5889 -1.5889 0.5244 0.5244 0.9875 0.9875 0.9947 0.9947 1.6675 1.6675 2.2518 2.2518 2.7712 2.7712 3.7480 3.7480 4.0101 4.0101 4.7547 4.7547 4.9213 4.9213 5.1208 5.1208 5.7212 5.7212 5.7658 5.7658 5.9680 5.9680 6.0171 6.0171 6.3236 6.3236 6.3770 6.3770 10.6916 10.6916 11.4503 11.4503 11.9028 11.9028 12.0833 12.0833 12.6566 12.6566 k = 0.6253 0.0384 0.0296 ( 4179 PWs) bands (ev): -6.5283 -6.5283 -5.4512 -5.4512 -3.6434 -3.6434 -2.9534 -2.9534 -2.8951 -2.8951 -1.5756 -1.5756 0.5280 0.5280 1.0340 1.0340 1.0395 1.0395 1.6749 1.6749 2.1655 2.1655 2.7668 2.7668 3.7821 3.7821 4.1076 4.1076 4.7606 4.7606 4.9509 4.9509 5.1466 5.1466 5.6872 5.6872 5.7220 5.7220 6.0020 6.0020 6.0216 6.0216 6.3222 6.3222 6.3396 6.3396 10.7574 10.7574 11.4443 11.4443 11.9021 11.9021 12.1057 12.1057 12.6272 12.6272 k = 0.6322 0.0505 0.0390 ( 4178 PWs) bands (ev): -6.5193 -6.5193 -5.4182 -5.4182 -3.6950 -3.6950 -2.9921 -2.9921 -2.9158 -2.9158 -1.5645 -1.5645 0.5250 0.5250 1.0713 1.0713 1.0991 1.0991 1.6781 1.6781 2.0795 2.0795 2.7760 2.7760 3.8138 3.8138 4.2021 4.2021 4.7681 4.7681 4.9805 4.9805 5.1737 5.1737 5.6428 5.6428 5.6723 5.6723 5.9992 5.9992 6.0644 6.0644 6.2847 6.2847 6.3471 6.3471 10.8186 10.8186 11.4360 11.4360 11.9047 11.9047 12.1235 12.1235 12.6070 12.6070 k = 0.6392 0.0626 0.0484 ( 4172 PWs) bands (ev): -6.5106 -6.5106 -5.3842 -5.3842 -3.7465 -3.7465 -3.0273 -3.0273 -2.9359 -2.9359 -1.5556 -1.5556 0.5172 0.5172 1.1033 1.1033 1.1662 1.1662 1.6778 1.6778 1.9951 1.9951 2.7985 2.7985 3.8431 3.8431 4.2912 4.2912 4.7788 4.7788 5.0095 5.0095 5.2013 5.2013 5.5910 5.5910 5.6158 5.6158 5.9907 5.9907 6.1145 6.1145 6.2579 6.2579 6.3524 6.3524 10.8742 10.8742 11.4250 11.4250 11.9102 11.9102 12.1346 12.1346 12.5385 12.5385 k = 0.6461 0.0747 0.0577 ( 4176 PWs) bands (ev): -6.5023 -6.5023 -5.3492 -5.3492 -3.7975 -3.7975 -3.0588 -3.0588 -2.9552 -2.9552 -1.5489 -1.5489 0.5065 0.5065 1.1283 1.1283 1.2385 1.2385 1.6750 1.6750 1.9141 1.9141 2.8333 2.8333 3.8698 3.8698 4.3721 4.3721 4.7948 4.7948 5.0371 5.0371 5.2277 5.2277 5.5348 5.5348 5.5536 5.5536 5.9827 5.9827 6.1666 6.1666 6.2419 6.2419 6.3536 6.3536 10.9231 10.9231 11.4106 11.4106 11.9182 11.9182 12.1376 12.1376 12.4335 12.4335 k = 0.6531 0.0869 0.0671 ( 4175 PWs) bands (ev): -6.4947 -6.4947 -5.3136 -5.3136 -3.8475 -3.8475 -3.0866 -3.0866 -2.9738 -2.9738 -1.5445 -1.5445 0.4939 0.4939 1.1439 1.1439 1.3145 1.3145 1.6689 1.6689 1.8411 1.8411 2.8789 2.8789 3.8939 3.8939 4.4410 4.4410 4.8184 4.8184 5.0621 5.0621 5.2487 5.2487 5.4753 5.4753 5.4934 5.4934 5.9767 5.9767 6.2187 6.2187 6.2349 6.2349 6.3508 6.3508 10.9648 10.9648 11.3924 11.3924 11.9280 11.9280 12.1328 12.1328 12.3364 12.3364 k = 0.6601 0.0990 0.0764 ( 4170 PWs) bands (ev): -6.4878 -6.4878 -5.2775 -5.2775 -3.8957 -3.8957 -3.1106 -3.1106 -2.9914 -2.9914 -1.5423 -1.5423 0.4804 0.4804 1.1481 1.1481 1.3930 1.3930 1.6500 1.6500 1.7888 1.7888 2.9336 2.9336 3.9155 3.9155 4.4944 4.4944 4.8505 4.8505 5.0834 5.0834 5.2530 5.2530 5.4204 5.4204 5.4445 5.4445 5.9735 5.9735 6.2310 6.2310 6.2724 6.2724 6.3456 6.3456 10.9990 10.9990 11.3698 11.3698 11.9391 11.9391 12.1214 12.1214 12.2483 12.2483 k = 0.6670 0.1111 0.0858 ( 4178 PWs) bands (ev): -6.4819 -6.4819 -5.2413 -5.2413 -3.9417 -3.9417 -3.1309 -3.1309 -3.0081 -3.0081 -1.5421 -1.5421 0.4665 0.4665 1.1398 1.1398 1.4731 1.4731 1.6036 1.6036 1.7744 1.7744 2.9958 2.9958 3.9346 3.9346 4.5306 4.5306 4.8871 4.8871 5.1012 5.1012 5.2196 5.2196 5.3920 5.3920 5.4130 5.4130 5.9733 5.9733 6.2333 6.2333 6.3085 6.3085 6.3520 6.3520 11.0257 11.0257 11.3424 11.3424 11.9507 11.9507 12.1048 12.1048 12.1701 12.1701 k = 0.6740 0.1232 0.0952 ( 4176 PWs) bands (ev): -6.4770 -6.4770 -5.2054 -5.2054 -3.9846 -3.9846 -3.1474 -3.1474 -3.0237 -3.0237 -1.5439 -1.5439 0.4528 0.4528 1.1196 1.1196 1.5377 1.5377 1.5542 1.5542 1.7901 1.7901 3.0639 3.0639 3.9512 3.9512 4.5505 4.5505 4.9167 4.9167 5.1215 5.1215 5.1518 5.1518 5.3814 5.3814 5.4108 5.4108 5.9761 5.9761 6.2383 6.2383 6.3036 6.3036 6.3953 6.3953 11.0454 11.0454 11.3104 11.3104 11.9617 11.9617 12.0838 12.0838 12.1030 12.1030 k = 0.6809 0.1354 0.1045 ( 4177 PWs) bands (ev): -6.4733 -6.4733 -5.1701 -5.1701 -4.0237 -4.0237 -3.1603 -3.1603 -3.0382 -3.0382 -1.5477 -1.5477 0.4394 0.4394 1.0890 1.0890 1.4667 1.4667 1.6343 1.6343 1.8215 1.8215 3.1368 3.1368 3.9655 3.9655 4.5558 4.5558 4.9253 4.9253 5.0698 5.0698 5.1565 5.1565 5.3823 5.3823 5.4252 5.4252 5.9815 5.9815 6.2442 6.2442 6.2869 6.2869 6.4476 6.4476 11.0587 11.0587 11.2740 11.2740 11.9709 11.9709 12.0435 12.0435 12.0636 12.0636 k = 0.6879 0.1475 0.1139 ( 4180 PWs) bands (ev): -6.4711 -6.4711 -5.1360 -5.1360 -4.0582 -4.0582 -3.1697 -3.1697 -3.0515 -3.0515 -1.5532 -1.5532 0.4267 0.4267 1.0505 1.0505 1.3947 1.3947 1.7136 1.7136 1.8619 1.8619 3.2132 3.2132 3.9776 3.9776 4.5468 4.5468 4.9135 4.9135 4.9843 4.9843 5.2084 5.2084 5.3957 5.3957 5.4422 5.4422 5.9889 5.9889 6.2419 6.2419 6.2765 6.2765 6.4998 6.4998 11.0664 11.0664 11.2343 11.2343 11.9749 11.9749 11.9977 11.9977 12.0404 12.0404 k = 0.6949 0.1596 0.1232 ( 4183 PWs) bands (ev): -6.4705 -6.4705 -5.1036 -5.1036 -4.0872 -4.0872 -3.1756 -3.1756 -3.0635 -3.0635 -1.5603 -1.5603 0.4148 0.4148 1.0062 1.0062 1.3238 1.3238 1.7908 1.7908 1.9075 1.9075 3.2924 3.2924 3.9876 3.9876 4.5230 4.5230 4.8933 4.8933 4.9007 4.9007 5.2694 5.2694 5.4177 5.4177 5.4579 5.4579 5.9974 5.9974 6.2206 6.2206 6.2849 6.2849 6.5502 6.5502 11.0690 11.0690 11.1925 11.1925 11.9585 11.9585 11.9696 11.9696 12.0247 12.0247 k = 0.7018 0.1717 0.1326 ( 4180 PWs) bands (ev): -6.4716 -6.4716 -5.0735 -5.0735 -4.1099 -4.1099 -3.1782 -3.1782 -3.0743 -3.0743 -1.5691 -1.5691 0.4039 0.4039 0.9579 0.9579 1.2547 1.2547 1.8649 1.8649 1.9557 1.9557 3.3735 3.3735 3.9956 3.9956 4.4841 4.4841 4.8166 4.8166 4.8803 4.8803 5.3315 5.3315 5.4434 5.4434 5.4731 5.4731 6.0058 6.0058 6.1917 6.1917 6.3029 6.3029 6.5978 6.5978 11.0672 11.0672 11.1502 11.1502 11.9302 11.9302 11.9450 11.9450 12.0216 12.0216 Writing output data file B6As.save init_run : 0.16s CPU 0.27s WALL ( 1 calls) electrons : 131.96s CPU 133.74s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 131.96s CPU 133.74s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 251 calls) cegterg : 113.91s CPU 115.21s WALL ( 324 calls) Called by sum_band: Called by *egterg: h_psi : 78.20s CPU 79.05s WALL ( 5273 calls) s_psi : 3.61s CPU 3.67s WALL ( 5273 calls) g_psi : 0.18s CPU 0.17s WALL ( 4698 calls) cdiaghg : 36.43s CPU 36.90s WALL ( 4949 calls) cegterg:over : 4.30s CPU 4.26s WALL ( 4698 calls) cegterg:upda : 3.39s CPU 3.55s WALL ( 4698 calls) cegterg:last : 1.98s CPU 2.02s WALL ( 826 calls) cdiaghg:chol : 2.08s CPU 2.07s WALL ( 4949 calls) cdiaghg:inve : 1.42s CPU 1.40s WALL ( 4949 calls) cdiaghg:para : 2.16s CPU 2.21s WALL ( 9898 calls) Called by h_psi: h_psi:vloc : 68.04s CPU 69.02s WALL ( 5273 calls) h_psi:vnl : 9.98s CPU 9.85s WALL ( 5273 calls) add_vuspsi : 4.58s CPU 4.40s WALL ( 5273 calls) General routines calbec : 5.39s CPU 5.44s WALL ( 5273 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 63.71s CPU 64.66s WALL ( 636624 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.21s WALL ( 502 calls) Parallel routines fft_scatter : 20.82s CPU 20.81s WALL ( 636647 calls) PWSCF : 2m24.60s CPU 2m35.84s WALL This run was terminated on: 20:36:34 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=