Program PWSCF v.5.1.1 starts on 29Nov2015 at 2: 1:44 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CrSiTe3.save/ file Cr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3P 3P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 130 56 15 6314 1760 256 Max 131 57 16 6320 1795 261 Sum 6271 2705 745 303215 85265 12403 bravais-lattice index = 14 lattice parameter (alat) = 14.9601 a.u. unit-cell volume = 1838.4417 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 72.00 number of Kohn-Sham states= 86 kinetic-energy cutoff = 49.0000 Ry charge density cutoff = 457.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.960055 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.635656 celldm(5)= 0.635656 celldm(6)= 0.635656 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.635656 0.771973 0.000000 ) a(3) = ( 0.635656 0.300007 0.711293 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.823417 -0.546363 ) b(2) = ( 0.000000 1.295383 -0.546363 ) b(3) = ( 0.000000 0.000000 1.405891 ) PseudoPot. # 1 for Cr read from file: /home/autes/Pseudo/Cr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 5eb7f017135fb502322d448d1515490d Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1183 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Te read from file: /home/autes/Pseudo/Te_MT_PBE.UPF MD5 check sum: 58ccb0a2ae5f507b1c31ab9daa3b9941 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1245 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 3 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cr 14.00 51.99610 Cr( 1.00) Te 6.00 127.60000 Te( 1.00) Si 4.00 28.08550 Si( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 204 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049020 k( 2) = ( 0.0178571 -0.0147039 -0.0097565), wk = 0.0049020 k( 3) = ( 0.0357143 -0.0294078 -0.0195130), wk = 0.0049020 k( 4) = ( 0.0535714 -0.0441116 -0.0292695), wk = 0.0049020 k( 5) = ( 0.0714286 -0.0588155 -0.0390260), wk = 0.0049020 k( 6) = ( 0.0892857 -0.0735194 -0.0487825), wk = 0.0049020 k( 7) = ( 0.1071429 -0.0882233 -0.0585389), wk = 0.0049020 k( 8) = ( 0.1250000 -0.1029272 -0.0682954), wk = 0.0049020 k( 9) = ( 0.1428571 -0.1176310 -0.0780519), wk = 0.0049020 k( 10) = ( 0.1607143 -0.1323349 -0.0878084), wk = 0.0049020 k( 11) = ( 0.1785714 -0.1470388 -0.0975649), wk = 0.0049020 k( 12) = ( 0.1964286 -0.1617427 -0.1073214), wk = 0.0049020 k( 13) = ( 0.2142857 -0.1764466 -0.1170779), wk = 0.0049020 k( 14) = ( 0.2321429 -0.1911505 -0.1268344), wk = 0.0049020 k( 15) = ( 0.2500000 -0.2058543 -0.1365909), wk = 0.0049020 k( 16) = ( 0.2678571 -0.2205582 -0.1463474), wk = 0.0049020 k( 17) = ( 0.2857143 -0.2352621 -0.1561039), wk = 0.0049020 k( 18) = ( 0.3035714 -0.2499660 -0.1658603), wk = 0.0049020 k( 19) = ( 0.3214286 -0.2646699 -0.1756168), wk = 0.0049020 k( 20) = ( 0.3392857 -0.2793737 -0.1853733), wk = 0.0049020 k( 21) = ( 0.3571429 -0.2940776 -0.1951298), wk = 0.0049020 k( 22) = ( 0.3750000 -0.3087815 -0.2048863), wk = 0.0049020 k( 23) = ( 0.3928571 -0.3234854 -0.2146428), wk = 0.0049020 k( 24) = ( 0.4107143 -0.3381893 -0.2243993), wk = 0.0049020 k( 25) = ( 0.4285714 -0.3528931 -0.2341558), wk = 0.0049020 k( 26) = ( 0.4464286 -0.3675970 -0.2439123), wk = 0.0049020 k( 27) = ( 0.4642857 -0.3823009 -0.2536688), wk = 0.0049020 k( 28) = ( 0.4821429 -0.3970048 -0.2634253), wk = 0.0049020 k( 29) = ( 0.5000000 -0.4117087 -0.2731817), wk = 0.0049020 k( 30) = ( 0.5000000 -0.4117087 -0.2731817), wk = 0.0049020 k( 31) = ( 0.5000000 -0.3981295 -0.2936467), wk = 0.0049020 k( 32) = ( 0.5000000 -0.3845504 -0.3141116), wk = 0.0049020 k( 33) = ( 0.5000000 -0.3709713 -0.3345765), wk = 0.0049020 k( 34) = ( 0.5000000 -0.3573921 -0.3550415), wk = 0.0049020 k( 35) = ( 0.5000000 -0.3438130 -0.3755064), wk = 0.0049020 k( 36) = ( 0.5000000 -0.3302339 -0.3959714), wk = 0.0049020 k( 37) = ( 0.5000000 -0.3166547 -0.4164363), wk = 0.0049020 k( 38) = ( 0.5000000 -0.3030756 -0.4369012), wk = 0.0049020 k( 39) = ( 0.5000000 -0.2894965 -0.4573662), wk = 0.0049020 k( 40) = ( 0.5000000 -0.2759173 -0.4778311), wk = 0.0049020 k( 41) = ( 0.5000000 -0.2623382 -0.4982961), wk = 0.0049020 k( 42) = ( 0.5000000 -0.2487591 -0.5187610), wk = 0.0049020 k( 43) = ( 0.5000000 -0.2351799 -0.5392259), wk = 0.0049020 k( 44) = ( 0.5000000 -0.2216008 -0.5596909), wk = 0.0049020 k( 45) = ( 0.5000000 -0.2080216 -0.5801558), wk = 0.0049020 k( 46) = ( 0.5000000 -0.1944425 -0.6006208), wk = 0.0049020 k( 47) = ( 0.5000000 -0.1808634 -0.6210857), wk = 0.0049020 k( 48) = ( 0.5000000 -0.1672842 -0.6415506), wk = 0.0049020 k( 49) = ( 0.5000000 -0.1537051 -0.6620156), wk = 0.0049020 k( 50) = ( 0.5000000 -0.1401260 -0.6824805), wk = 0.0049020 k( 51) = ( 0.5000000 -0.1265468 -0.7029454), wk = 0.0049020 k( 52) = ( 0.7798629 0.0055387 -0.3897815), wk = 0.0049020 k( 53) = ( 0.7694976 0.0140737 -0.3695458), wk = 0.0049020 k( 54) = ( 0.7591323 0.0226086 -0.3493101), wk = 0.0049020 k( 55) = ( 0.7487670 0.0311436 -0.3290745), wk = 0.0049020 k( 56) = ( 0.7384017 0.0396786 -0.3088388), wk = 0.0049020 k( 57) = ( 0.7280364 0.0482135 -0.2886031), wk = 0.0049020 k( 58) = ( 0.7176711 0.0567485 -0.2683674), wk = 0.0049020 k( 59) = ( 0.7073058 0.0652834 -0.2481317), wk = 0.0049020 k( 60) = ( 0.6969405 0.0738184 -0.2278960), wk = 0.0049020 k( 61) = ( 0.6865752 0.0823534 -0.2076604), wk = 0.0049020 k( 62) = ( 0.6762099 0.0908883 -0.1874247), wk = 0.0049020 k( 63) = ( 0.6658447 0.0994233 -0.1671890), wk = 0.0049020 k( 64) = ( 0.6554794 0.1079582 -0.1469533), wk = 0.0049020 k( 65) = ( 0.6451141 0.1164932 -0.1267176), wk = 0.0049020 k( 66) = ( 0.6347488 0.1250282 -0.1064819), wk = 0.0049020 k( 67) = ( 0.6243835 0.1335631 -0.0862463), wk = 0.0049020 k( 68) = ( 0.6140182 0.1420981 -0.0660106), wk = 0.0049020 k( 69) = ( 0.6036529 0.1506330 -0.0457749), wk = 0.0049020 k( 70) = ( 0.5932876 0.1591680 -0.0255392), wk = 0.0049020 k( 71) = ( 0.5829223 0.1677030 -0.0053035), wk = 0.0049020 k( 72) = ( 0.5725570 0.1762379 0.0149322), wk = 0.0049020 k( 73) = ( 0.5621917 0.1847729 0.0351678), wk = 0.0049020 k( 74) = ( 0.5518264 0.1933078 0.0554035), wk = 0.0049020 k( 75) = ( 0.5414612 0.2018428 0.0756392), wk = 0.0049020 k( 76) = ( 0.5310959 0.2103778 0.0958749), wk = 0.0049020 k( 77) = ( 0.5207306 0.2189127 0.1161106), wk = 0.0049020 k( 78) = ( 0.5103653 0.2274477 0.1363463), wk = 0.0049020 k( 79) = ( 0.5000000 0.2359826 0.1565820), wk = 0.0049020 k( 80) = ( 0.5000000 0.2359826 0.1565820), wk = 0.0049020 k( 81) = ( 0.4782609 0.2257225 0.1497740), wk = 0.0049020 k( 82) = ( 0.4565217 0.2154624 0.1429661), wk = 0.0049020 k( 83) = ( 0.4347826 0.2052023 0.1361582), wk = 0.0049020 k( 84) = ( 0.4130435 0.1949422 0.1293503), wk = 0.0049020 k( 85) = ( 0.3913044 0.1846821 0.1225424), wk = 0.0049020 k( 86) = ( 0.3695652 0.1744220 0.1157345), wk = 0.0049020 k( 87) = ( 0.3478261 0.1641618 0.1089266), wk = 0.0049020 k( 88) = ( 0.3260870 0.1539017 0.1021187), wk = 0.0049020 k( 89) = ( 0.3043478 0.1436416 0.0953108), wk = 0.0049020 k( 90) = ( 0.2826087 0.1333815 0.0885028), wk = 0.0049020 k( 91) = ( 0.2608696 0.1231214 0.0816949), wk = 0.0049020 k( 92) = ( 0.2391304 0.1128613 0.0748870), wk = 0.0049020 k( 93) = ( 0.2173913 0.1026011 0.0680791), wk = 0.0049020 k( 94) = ( 0.1956522 0.0923410 0.0612712), wk = 0.0049020 k( 95) = ( 0.1739130 0.0820809 0.0544633), wk = 0.0049020 k( 96) = ( 0.1521739 0.0718208 0.0476554), wk = 0.0049020 k( 97) = ( 0.1304348 0.0615607 0.0408475), wk = 0.0049020 k( 98) = ( 0.1086957 0.0513006 0.0340396), wk = 0.0049020 k( 99) = ( 0.0869565 0.0410405 0.0272316), wk = 0.0049020 k( 100) = ( 0.0652174 0.0307803 0.0204237), wk = 0.0049020 k( 101) = ( 0.0434783 0.0205202 0.0136158), wk = 0.0049020 k( 102) = ( 0.0217391 0.0102601 0.0068079), wk = 0.0049020 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049020 k( 104) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049020 k( 105) = ( 0.0105903 -0.0087202 -0.0206749), wk = 0.0049020 k( 106) = ( 0.0211805 -0.0174404 -0.0413497), wk = 0.0049020 k( 107) = ( 0.0317708 -0.0261606 -0.0620246), wk = 0.0049020 k( 108) = ( 0.0423610 -0.0348808 -0.0826995), wk = 0.0049020 k( 109) = ( 0.0529513 -0.0436010 -0.1033743), wk = 0.0049020 k( 110) = ( 0.0635415 -0.0523212 -0.1240492), wk = 0.0049020 k( 111) = ( 0.0741318 -0.0610414 -0.1447241), wk = 0.0049020 k( 112) = ( 0.0847220 -0.0697616 -0.1653989), wk = 0.0049020 k( 113) = ( 0.0953123 -0.0784818 -0.1860738), wk = 0.0049020 k( 114) = ( 0.1059025 -0.0872020 -0.2067487), wk = 0.0049020 k( 115) = ( 0.1164928 -0.0959222 -0.2274235), wk = 0.0049020 k( 116) = ( 0.1270830 -0.1046424 -0.2480984), wk = 0.0049020 k( 117) = ( 0.1376733 -0.1133626 -0.2687733), wk = 0.0049020 k( 118) = ( 0.1482635 -0.1220828 -0.2894481), wk = 0.0049020 k( 119) = ( 0.1588538 -0.1308030 -0.3101230), wk = 0.0049020 k( 120) = ( 0.1694440 -0.1395231 -0.3307978), wk = 0.0049020 k( 121) = ( 0.1800343 -0.1482434 -0.3514727), wk = 0.0049020 k( 122) = ( 0.1906245 -0.1569635 -0.3721476), wk = 0.0049020 k( 123) = ( 0.2012148 -0.1656837 -0.3928224), wk = 0.0049020 k( 124) = ( 0.2118050 -0.1744039 -0.4134973), wk = 0.0049020 k( 125) = ( 0.2223953 -0.1831241 -0.4341722), wk = 0.0049020 k( 126) = ( 0.2329856 -0.1918443 -0.4548471), wk = 0.0049020 k( 127) = ( 0.2435758 -0.2005645 -0.4755219), wk = 0.0049020 k( 128) = ( 0.2541660 -0.2092847 -0.4961968), wk = 0.0049020 k( 129) = ( 0.2647563 -0.2180049 -0.5168716), wk = 0.0049020 k( 130) = ( 0.2753466 -0.2267251 -0.5375465), wk = 0.0049020 k( 131) = ( 0.2859368 -0.2354453 -0.5582214), wk = 0.0049020 k( 132) = ( 0.2965271 -0.2441655 -0.5788962), wk = 0.0049020 k( 133) = ( 0.3071173 -0.2528857 -0.5995711), wk = 0.0049020 k( 134) = ( 0.3177076 -0.2616059 -0.6202460), wk = 0.0049020 k( 135) = ( 0.3282978 -0.2703261 -0.6409208), wk = 0.0049020 k( 136) = ( 0.3388881 -0.2790463 -0.6615957), wk = 0.0049020 k( 137) = ( 0.3494783 -0.2877665 -0.6822706), wk = 0.0049020 k( 138) = ( 0.3600686 -0.2964867 -0.7029454), wk = 0.0049020 k( 139) = ( 0.6399314 -0.0605041 -0.5463635), wk = 0.0049020 k( 140) = ( 0.6299363 -0.0393264 -0.5463635), wk = 0.0049020 k( 141) = ( 0.6199412 -0.0181488 -0.5463635), wk = 0.0049020 k( 142) = ( 0.6099461 0.0030288 -0.5463635), wk = 0.0049020 k( 143) = ( 0.5999510 0.0242064 -0.5463635), wk = 0.0049020 k( 144) = ( 0.5899559 0.0453840 -0.5463635), wk = 0.0049020 k( 145) = ( 0.5799608 0.0665617 -0.5463635), wk = 0.0049020 k( 146) = ( 0.5699657 0.0877393 -0.5463635), wk = 0.0049020 k( 147) = ( 0.5599706 0.1089169 -0.5463635), wk = 0.0049020 k( 148) = ( 0.5499755 0.1300945 -0.5463635), wk = 0.0049020 k( 149) = ( 0.5399804 0.1512721 -0.5463635), wk = 0.0049020 k( 150) = ( 0.5299853 0.1724498 -0.5463635), wk = 0.0049020 k( 151) = ( 0.5199902 0.1936274 -0.5463635), wk = 0.0049020 k( 152) = ( 0.5099951 0.2148050 -0.5463635), wk = 0.0049020 k( 153) = ( 0.5000000 0.2359826 -0.5463635), wk = 0.0049020 k( 154) = ( 0.5000000 0.2359826 -0.5463635), wk = 0.0049020 k( 155) = ( 0.5155479 0.2433207 -0.5289655), wk = 0.0049020 k( 156) = ( 0.5310959 0.2506588 -0.5115675), wk = 0.0049020 k( 157) = ( 0.5466438 0.2579969 -0.4941695), wk = 0.0049020 k( 158) = ( 0.5621917 0.2653350 -0.4767715), wk = 0.0049020 k( 159) = ( 0.5777397 0.2726731 -0.4593735), wk = 0.0049020 k( 160) = ( 0.5932876 0.2800112 -0.4419755), wk = 0.0049020 k( 161) = ( 0.6088356 0.2873492 -0.4245775), wk = 0.0049020 k( 162) = ( 0.6243835 0.2946873 -0.4071795), wk = 0.0049020 k( 163) = ( 0.6399314 0.3020254 -0.3897815), wk = 0.0049020 k( 164) = ( 0.6399314 0.3020254 -0.3897815), wk = 0.0049020 k( 165) = ( 0.6338474 0.2991540 -0.3660266), wk = 0.0049020 k( 166) = ( 0.6277635 0.2962826 -0.3422717), wk = 0.0049020 k( 167) = ( 0.6216795 0.2934111 -0.3185167), wk = 0.0049020 k( 168) = ( 0.6155955 0.2905397 -0.2947618), wk = 0.0049020 k( 169) = ( 0.6095116 0.2876683 -0.2710069), wk = 0.0049020 k( 170) = ( 0.6034276 0.2847969 -0.2472519), wk = 0.0049020 k( 171) = ( 0.5973436 0.2819254 -0.2234970), wk = 0.0049020 k( 172) = ( 0.5912596 0.2790540 -0.1997420), wk = 0.0049020 k( 173) = ( 0.5851757 0.2761826 -0.1759871), wk = 0.0049020 k( 174) = ( 0.5790917 0.2733112 -0.1522322), wk = 0.0049020 k( 175) = ( 0.5730077 0.2704397 -0.1284772), wk = 0.0049020 k( 176) = ( 0.5669237 0.2675683 -0.1047223), wk = 0.0049020 k( 177) = ( 0.5608397 0.2646969 -0.0809674), wk = 0.0049020 k( 178) = ( 0.5547558 0.2618255 -0.0572124), wk = 0.0049020 k( 179) = ( 0.5486718 0.2589540 -0.0334575), wk = 0.0049020 k( 180) = ( 0.5425878 0.2560826 -0.0097026), wk = 0.0049020 k( 181) = ( 0.5365039 0.2532112 0.0140524), wk = 0.0049020 k( 182) = ( 0.5304199 0.2503398 0.0378073), wk = 0.0049020 k( 183) = ( 0.5243359 0.2474683 0.0615622), wk = 0.0049020 k( 184) = ( 0.5182519 0.2445969 0.0853172), wk = 0.0049020 k( 185) = ( 0.5121680 0.2417255 0.1090721), wk = 0.0049020 k( 186) = ( 0.5060840 0.2388541 0.1328270), wk = 0.0049020 k( 187) = ( 0.5000000 0.2359826 0.1565820), wk = 0.0049020 k( 188) = ( 0.5000000 -0.4117087 -0.2731817), wk = 0.0049020 k( 189) = ( 0.5174914 -0.3969597 -0.2633954), wk = 0.0049020 k( 190) = ( 0.5349829 -0.3822108 -0.2536090), wk = 0.0049020 k( 191) = ( 0.5524743 -0.3674619 -0.2438226), wk = 0.0049020 k( 192) = ( 0.5699657 -0.3527130 -0.2340363), wk = 0.0049020 k( 193) = ( 0.5874571 -0.3379641 -0.2242499), wk = 0.0049020 k( 194) = ( 0.6049486 -0.3232152 -0.2144635), wk = 0.0049020 k( 195) = ( 0.6224400 -0.3084663 -0.2046771), wk = 0.0049020 k( 196) = ( 0.6399314 -0.2937173 -0.1948908), wk = 0.0049020 k( 197) = ( 0.6574229 -0.2789684 -0.1851044), wk = 0.0049020 k( 198) = ( 0.6749143 -0.2642195 -0.1753180), wk = 0.0049020 k( 199) = ( 0.6924057 -0.2494706 -0.1655316), wk = 0.0049020 k( 200) = ( 0.7098971 -0.2347217 -0.1557453), wk = 0.0049020 k( 201) = ( 0.7273886 -0.2199728 -0.1459589), wk = 0.0049020 k( 202) = ( 0.7448800 -0.2052239 -0.1361725), wk = 0.0049020 k( 203) = ( 0.7623714 -0.1904749 -0.1263862), wk = 0.0049020 k( 204) = ( 0.7798629 -0.1757260 -0.1165998), wk = 0.0049020 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049020 k( 2) = ( 0.0178571 0.0000000 0.0000000), wk = 0.0049020 k( 3) = ( 0.0357143 0.0000000 0.0000000), wk = 0.0049020 k( 4) = ( 0.0535714 0.0000000 -0.0000000), wk = 0.0049020 k( 5) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0049020 k( 6) = ( 0.0892857 -0.0000000 0.0000000), wk = 0.0049020 k( 7) = ( 0.1071429 0.0000000 -0.0000000), wk = 0.0049020 k( 8) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0049020 k( 9) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0049020 k( 10) = ( 0.1607143 0.0000000 0.0000000), wk = 0.0049020 k( 11) = ( 0.1785714 0.0000000 0.0000000), wk = 0.0049020 k( 12) = ( 0.1964286 0.0000000 0.0000000), wk = 0.0049020 k( 13) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0049020 k( 14) = ( 0.2321429 0.0000000 0.0000000), wk = 0.0049020 k( 15) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0049020 k( 16) = ( 0.2678571 -0.0000000 0.0000000), wk = 0.0049020 k( 17) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0049020 k( 18) = ( 0.3035714 0.0000000 0.0000000), wk = 0.0049020 k( 19) = ( 0.3214286 0.0000000 0.0000000), wk = 0.0049020 k( 20) = ( 0.3392857 -0.0000000 0.0000000), wk = 0.0049020 k( 21) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0049020 k( 22) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0049020 k( 23) = ( 0.3928571 0.0000000 0.0000000), wk = 0.0049020 k( 24) = ( 0.4107143 0.0000000 0.0000000), wk = 0.0049020 k( 25) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0049020 k( 26) = ( 0.4464286 0.0000000 0.0000000), wk = 0.0049020 k( 27) = ( 0.4642857 -0.0000000 0.0000000), wk = 0.0049020 k( 28) = ( 0.4821429 0.0000000 0.0000000), wk = 0.0049020 k( 29) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0049020 k( 30) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0049020 k( 31) = ( 0.5000000 0.0104827 -0.0104827), wk = 0.0049020 k( 32) = ( 0.5000000 0.0209654 -0.0209654), wk = 0.0049020 k( 33) = ( 0.5000000 0.0314482 -0.0314482), wk = 0.0049020 k( 34) = ( 0.5000000 0.0419309 -0.0419309), wk = 0.0049020 k( 35) = ( 0.5000000 0.0524136 -0.0524136), wk = 0.0049020 k( 36) = ( 0.5000000 0.0628963 -0.0628963), wk = 0.0049020 k( 37) = ( 0.5000000 0.0733790 -0.0733790), wk = 0.0049020 k( 38) = ( 0.5000000 0.0838618 -0.0838618), wk = 0.0049020 k( 39) = ( 0.5000000 0.0943445 -0.0943445), wk = 0.0049020 k( 40) = ( 0.5000000 0.1048272 -0.1048272), wk = 0.0049020 k( 41) = ( 0.5000000 0.1153099 -0.1153099), wk = 0.0049020 k( 42) = ( 0.5000000 0.1257926 -0.1257926), wk = 0.0049020 k( 43) = ( 0.5000000 0.1362754 -0.1362754), wk = 0.0049020 k( 44) = ( 0.5000000 0.1467581 -0.1467581), wk = 0.0049020 k( 45) = ( 0.5000000 0.1572408 -0.1572408), wk = 0.0049020 k( 46) = ( 0.5000000 0.1677235 -0.1677235), wk = 0.0049020 k( 47) = ( 0.5000000 0.1782063 -0.1782063), wk = 0.0049020 k( 48) = ( 0.5000000 0.1886890 -0.1886890), wk = 0.0049020 k( 49) = ( 0.5000000 0.1991717 -0.1991717), wk = 0.0049020 k( 50) = ( 0.5000000 0.2096544 -0.2096544), wk = 0.0049020 k( 51) = ( 0.5000000 0.2201371 -0.2201371), wk = 0.0049020 k( 52) = ( 0.7798629 0.5000000 0.2201371), wk = 0.0049020 k( 53) = ( 0.7694976 0.5000000 0.2305024), wk = 0.0049020 k( 54) = ( 0.7591323 0.5000000 0.2408677), wk = 0.0049020 k( 55) = ( 0.7487670 0.5000000 0.2512330), wk = 0.0049020 k( 56) = ( 0.7384017 0.5000000 0.2615983), wk = 0.0049020 k( 57) = ( 0.7280364 0.5000000 0.2719636), wk = 0.0049020 k( 58) = ( 0.7176711 0.5000000 0.2823289), wk = 0.0049020 k( 59) = ( 0.7073058 0.5000000 0.2926942), wk = 0.0049020 k( 60) = ( 0.6969405 0.5000000 0.3030595), wk = 0.0049020 k( 61) = ( 0.6865752 0.5000000 0.3134248), wk = 0.0049020 k( 62) = ( 0.6762099 0.5000000 0.3237900), wk = 0.0049020 k( 63) = ( 0.6658447 0.5000000 0.3341553), wk = 0.0049020 k( 64) = ( 0.6554794 0.5000000 0.3445206), wk = 0.0049020 k( 65) = ( 0.6451141 0.5000000 0.3548859), wk = 0.0049020 k( 66) = ( 0.6347488 0.5000000 0.3652512), wk = 0.0049020 k( 67) = ( 0.6243835 0.5000000 0.3756165), wk = 0.0049020 k( 68) = ( 0.6140182 0.5000000 0.3859818), wk = 0.0049020 k( 69) = ( 0.6036529 0.5000000 0.3963471), wk = 0.0049020 k( 70) = ( 0.5932876 0.5000000 0.4067124), wk = 0.0049020 k( 71) = ( 0.5829223 0.5000000 0.4170777), wk = 0.0049020 k( 72) = ( 0.5725570 0.5000000 0.4274430), wk = 0.0049020 k( 73) = ( 0.5621917 0.5000000 0.4378083), wk = 0.0049020 k( 74) = ( 0.5518264 0.5000000 0.4481735), wk = 0.0049020 k( 75) = ( 0.5414612 0.5000000 0.4585388), wk = 0.0049020 k( 76) = ( 0.5310959 0.5000000 0.4689041), wk = 0.0049020 k( 77) = ( 0.5207306 0.5000000 0.4792694), wk = 0.0049020 k( 78) = ( 0.5103653 0.5000000 0.4896347), wk = 0.0049020 k( 79) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0049020 k( 80) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0049020 k( 81) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0049020 k( 82) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0049020 k( 83) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0049020 k( 84) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0049020 k( 85) = ( 0.3913044 0.3913043 0.3913044), wk = 0.0049020 k( 86) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0049020 k( 87) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0049020 k( 88) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0049020 k( 89) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0049020 k( 90) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0049020 k( 91) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0049020 k( 92) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0049020 k( 93) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0049020 k( 94) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0049020 k( 95) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0049020 k( 96) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0049020 k( 97) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0049020 k( 98) = ( 0.1086957 0.1086956 0.1086956), wk = 0.0049020 k( 99) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0049020 k( 100) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0049020 k( 101) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0049020 k( 102) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0049020 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049020 k( 104) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049020 k( 105) = ( 0.0105903 0.0000000 -0.0105903), wk = 0.0049020 k( 106) = ( 0.0211805 0.0000000 -0.0211805), wk = 0.0049020 k( 107) = ( 0.0317708 -0.0000000 -0.0317708), wk = 0.0049020 k( 108) = ( 0.0423610 -0.0000000 -0.0423610), wk = 0.0049020 k( 109) = ( 0.0529513 0.0000000 -0.0529513), wk = 0.0049020 k( 110) = ( 0.0635415 0.0000000 -0.0635415), wk = 0.0049020 k( 111) = ( 0.0741318 0.0000000 -0.0741318), wk = 0.0049020 k( 112) = ( 0.0847220 -0.0000000 -0.0847220), wk = 0.0049020 k( 113) = ( 0.0953123 0.0000000 -0.0953123), wk = 0.0049020 k( 114) = ( 0.1059025 0.0000000 -0.1059025), wk = 0.0049020 k( 115) = ( 0.1164928 -0.0000000 -0.1164928), wk = 0.0049020 k( 116) = ( 0.1270830 0.0000000 -0.1270830), wk = 0.0049020 k( 117) = ( 0.1376733 0.0000000 -0.1376733), wk = 0.0049020 k( 118) = ( 0.1482635 0.0000000 -0.1482635), wk = 0.0049020 k( 119) = ( 0.1588538 0.0000000 -0.1588538), wk = 0.0049020 k( 120) = ( 0.1694440 0.0000000 -0.1694440), wk = 0.0049020 k( 121) = ( 0.1800343 -0.0000000 -0.1800343), wk = 0.0049020 k( 122) = ( 0.1906245 0.0000000 -0.1906245), wk = 0.0049020 k( 123) = ( 0.2012148 0.0000000 -0.2012148), wk = 0.0049020 k( 124) = ( 0.2118050 0.0000000 -0.2118050), wk = 0.0049020 k( 125) = ( 0.2223953 0.0000000 -0.2223953), wk = 0.0049020 k( 126) = ( 0.2329856 -0.0000000 -0.2329855), wk = 0.0049020 k( 127) = ( 0.2435758 0.0000000 -0.2435758), wk = 0.0049020 k( 128) = ( 0.2541660 0.0000000 -0.2541660), wk = 0.0049020 k( 129) = ( 0.2647563 0.0000000 -0.2647563), wk = 0.0049020 k( 130) = ( 0.2753466 0.0000000 -0.2753466), wk = 0.0049020 k( 131) = ( 0.2859368 0.0000000 -0.2859368), wk = 0.0049020 k( 132) = ( 0.2965271 0.0000000 -0.2965271), wk = 0.0049020 k( 133) = ( 0.3071173 0.0000000 -0.3071173), wk = 0.0049020 k( 134) = ( 0.3177076 0.0000000 -0.3177076), wk = 0.0049020 k( 135) = ( 0.3282978 -0.0000000 -0.3282978), wk = 0.0049020 k( 136) = ( 0.3388881 0.0000000 -0.3388881), wk = 0.0049020 k( 137) = ( 0.3494783 0.0000000 -0.3494783), wk = 0.0049020 k( 138) = ( 0.3600686 -0.0000000 -0.3600686), wk = 0.0049020 k( 139) = ( 0.6399314 0.3600686 0.0000000), wk = 0.0049020 k( 140) = ( 0.6299363 0.3700637 0.0000000), wk = 0.0049020 k( 141) = ( 0.6199412 0.3800588 0.0000000), wk = 0.0049020 k( 142) = ( 0.6099461 0.3900539 0.0000000), wk = 0.0049020 k( 143) = ( 0.5999510 0.4000490 -0.0000000), wk = 0.0049020 k( 144) = ( 0.5899559 0.4100441 0.0000000), wk = 0.0049020 k( 145) = ( 0.5799608 0.4200392 0.0000000), wk = 0.0049020 k( 146) = ( 0.5699657 0.4300343 0.0000000), wk = 0.0049020 k( 147) = ( 0.5599706 0.4400294 0.0000000), wk = 0.0049020 k( 148) = ( 0.5499755 0.4500245 0.0000000), wk = 0.0049020 k( 149) = ( 0.5399804 0.4600196 0.0000000), wk = 0.0049020 k( 150) = ( 0.5299853 0.4700147 0.0000000), wk = 0.0049020 k( 151) = ( 0.5199902 0.4800098 0.0000000), wk = 0.0049020 k( 152) = ( 0.5099951 0.4900049 0.0000000), wk = 0.0049020 k( 153) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0049020 k( 154) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0049020 k( 155) = ( 0.5155479 0.5155479 0.0244597), wk = 0.0049020 k( 156) = ( 0.5310959 0.5310959 0.0489194), wk = 0.0049020 k( 157) = ( 0.5466438 0.5466438 0.0733791), wk = 0.0049020 k( 158) = ( 0.5621917 0.5621917 0.0978387), wk = 0.0049020 k( 159) = ( 0.5777397 0.5777397 0.1222984), wk = 0.0049020 k( 160) = ( 0.5932876 0.5932876 0.1467581), wk = 0.0049020 k( 161) = ( 0.6088356 0.6088356 0.1712178), wk = 0.0049020 k( 162) = ( 0.6243835 0.6243835 0.1956775), wk = 0.0049020 k( 163) = ( 0.6399314 0.6399314 0.2201371), wk = 0.0049020 k( 164) = ( 0.6399314 0.6399314 0.2201371), wk = 0.0049020 k( 165) = ( 0.6338474 0.6338474 0.2323051), wk = 0.0049020 k( 166) = ( 0.6277635 0.6277635 0.2444730), wk = 0.0049020 k( 167) = ( 0.6216795 0.6216795 0.2566410), wk = 0.0049020 k( 168) = ( 0.6155955 0.6155955 0.2688089), wk = 0.0049020 k( 169) = ( 0.6095116 0.6095116 0.2809769), wk = 0.0049020 k( 170) = ( 0.6034276 0.6034276 0.2931449), wk = 0.0049020 k( 171) = ( 0.5973436 0.5973436 0.3053128), wk = 0.0049020 k( 172) = ( 0.5912596 0.5912596 0.3174808), wk = 0.0049020 k( 173) = ( 0.5851757 0.5851756 0.3296487), wk = 0.0049020 k( 174) = ( 0.5790917 0.5790917 0.3418167), wk = 0.0049020 k( 175) = ( 0.5730077 0.5730077 0.3539846), wk = 0.0049020 k( 176) = ( 0.5669237 0.5669237 0.3661525), wk = 0.0049020 k( 177) = ( 0.5608397 0.5608397 0.3783205), wk = 0.0049020 k( 178) = ( 0.5547558 0.5547558 0.3904885), wk = 0.0049020 k( 179) = ( 0.5486718 0.5486718 0.4026564), wk = 0.0049020 k( 180) = ( 0.5425878 0.5425878 0.4148244), wk = 0.0049020 k( 181) = ( 0.5365039 0.5365039 0.4269923), wk = 0.0049020 k( 182) = ( 0.5304199 0.5304199 0.4391602), wk = 0.0049020 k( 183) = ( 0.5243359 0.5243359 0.4513282), wk = 0.0049020 k( 184) = ( 0.5182519 0.5182519 0.4634961), wk = 0.0049020 k( 185) = ( 0.5121680 0.5121680 0.4756641), wk = 0.0049020 k( 186) = ( 0.5060840 0.5060840 0.4878321), wk = 0.0049020 k( 187) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0049020 k( 188) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0049020 k( 189) = ( 0.5174914 0.0225043 0.0225043), wk = 0.0049020 k( 190) = ( 0.5349829 0.0450086 0.0450086), wk = 0.0049020 k( 191) = ( 0.5524743 0.0675129 0.0675129), wk = 0.0049020 k( 192) = ( 0.5699657 0.0900171 0.0900171), wk = 0.0049020 k( 193) = ( 0.5874571 0.1125214 0.1125214), wk = 0.0049020 k( 194) = ( 0.6049486 0.1350257 0.1350257), wk = 0.0049020 k( 195) = ( 0.6224400 0.1575300 0.1575300), wk = 0.0049020 k( 196) = ( 0.6399314 0.1800343 0.1800343), wk = 0.0049020 k( 197) = ( 0.6574229 0.2025386 0.2025386), wk = 0.0049020 k( 198) = ( 0.6749143 0.2250429 0.2250429), wk = 0.0049020 k( 199) = ( 0.6924057 0.2475471 0.2475471), wk = 0.0049020 k( 200) = ( 0.7098971 0.2700514 0.2700514), wk = 0.0049020 k( 201) = ( 0.7273886 0.2925557 0.2925557), wk = 0.0049020 k( 202) = ( 0.7448800 0.3150600 0.3150600), wk = 0.0049020 k( 203) = ( 0.7623714 0.3375643 0.3375643), wk = 0.0049020 k( 204) = ( 0.7798629 0.3600686 0.3600686), wk = 0.0049020 Dense grid: 303215 G-vectors FFT dimensions: ( 108, 108, 108) Smooth grid: 85265 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.59 Mb ( 450, 86) NL pseudopotentials 0.80 Mb ( 225, 232) Each V/rho on FFT grid 0.53 Mb ( 34992) Each G-vector array 0.05 Mb ( 6320) G-vector shells 0.04 Mb ( 5343) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.36 Mb ( 450, 344) Each subspace H/S matrix 1.81 Mb ( 344, 344) Each matrix 0.61 Mb ( 232, 2, 86) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./CrSiTe3.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 47.1 secs Computing kpt #: 2 total cpu time spent up to now is 56.6 secs Computing kpt #: 3 total cpu time spent up to now is 66.0 secs Computing kpt #: 4 total cpu time spent up to now is 75.1 secs Computing kpt #: 5 total cpu time spent up to now is 84.3 secs Computing kpt #: 6 total cpu time spent up to now is 93.1 secs Computing kpt #: 7 total cpu time spent up to now is 102.0 secs Computing kpt #: 8 total cpu time spent up to now is 110.6 secs Computing kpt #: 9 total cpu time spent up to now is 119.3 secs Computing kpt #: 10 total cpu time spent up to now is 127.9 secs Computing kpt #: 11 total cpu time spent up to now is 136.6 secs Computing kpt #: 12 total cpu time spent up to now is 145.1 secs Computing kpt #: 13 total cpu time spent up to now is 153.9 secs Computing kpt #: 14 total cpu time spent up to now is 162.8 secs Computing kpt #: 15 total cpu time spent up to now is 171.4 secs Computing kpt #: 16 total cpu time spent up to now is 180.1 secs Computing kpt #: 17 total cpu time spent up to now is 188.8 secs Computing kpt #: 18 total cpu time spent up to now is 197.3 secs Computing kpt #: 19 total cpu time spent up to now is 205.9 secs Computing kpt #: 20 total cpu time spent up to now is 214.7 secs Computing kpt #: 21 total cpu time spent up to now is 223.4 secs Computing kpt #: 22 total cpu time spent up to now is 232.1 secs Computing kpt #: 23 total cpu time spent up to now is 240.9 secs Computing kpt #: 24 total cpu time spent up to now is 249.6 secs Computing kpt #: 25 total cpu time spent up to now is 258.3 secs Computing kpt #: 26 total cpu time spent up to now is 267.2 secs Computing kpt #: 27 total cpu time spent up to now is 277.2 secs Computing kpt #: 28 total cpu time spent up to now is 286.0 secs Computing kpt #: 29 total cpu time spent up to now is 294.9 secs Computing kpt #: 30 total cpu time spent up to now is 303.6 secs Computing kpt #: 31 total cpu time spent up to now is 312.6 secs Computing kpt #: 32 total cpu time spent up to now is 321.4 secs Computing kpt #: 33 total cpu time spent up to now is 330.5 secs Computing kpt #: 34 total cpu time spent up to now is 339.5 secs Computing kpt #: 35 total cpu time spent up to now is 348.6 secs Computing kpt #: 36 total cpu time spent up to now is 357.5 secs Computing kpt #: 37 total cpu time spent up to now is 366.6 secs Computing kpt #: 38 total cpu time spent up to now is 375.6 secs Computing kpt #: 39 total cpu time spent up to now is 384.9 secs Computing kpt #: 40 total cpu time spent up to now is 394.3 secs Computing kpt #: 41 total cpu time spent up to now is 404.0 secs Computing kpt #: 42 total cpu time spent up to now is 414.9 secs Computing kpt #: 43 total cpu time spent up to now is 426.3 secs Computing kpt #: 44 total cpu time spent up to now is 437.8 secs Computing kpt #: 45 total cpu time spent up to now is 449.0 secs Computing kpt #: 46 total cpu time spent up to now is 460.2 secs Computing kpt #: 47 total cpu time spent up to now is 471.7 secs Computing kpt #: 48 total cpu time spent up to now is 483.1 secs Computing kpt #: 49 total cpu time spent up to now is 495.0 secs Computing kpt #: 50 total cpu time spent up to now is 507.0 secs Computing kpt #: 51 total cpu time spent up to now is 518.6 secs Computing kpt #: 52 total cpu time spent up to now is 530.2 secs Computing kpt #: 53 total cpu time spent up to now is 540.2 secs Computing kpt #: 54 total cpu time spent up to now is 549.5 secs Computing kpt #: 55 total cpu time spent up to now is 558.7 secs Computing kpt #: 56 total cpu time spent up to now is 567.8 secs Computing kpt #: 57 total cpu time spent up to now is 579.3 secs Computing kpt #: 58 total cpu time spent up to now is 588.4 secs Computing kpt #: 59 total cpu time spent up to now is 597.1 secs Computing kpt #: 60 total cpu time spent up to now is 605.8 secs Computing kpt #: 61 total cpu time spent up to now is 614.6 secs Computing kpt #: 62 total cpu time spent up to now is 623.3 secs Computing kpt #: 63 total cpu time spent up to now is 632.0 secs Computing kpt #: 64 total cpu time spent up to now is 640.5 secs Computing kpt #: 65 total cpu time spent up to now is 649.2 secs Computing kpt #: 66 total cpu time spent up to now is 657.8 secs Computing kpt #: 67 total cpu time spent up to now is 666.3 secs Computing kpt #: 68 total cpu time spent up to now is 674.9 secs Computing kpt #: 69 total cpu time spent up to now is 683.6 secs Computing kpt #: 70 total cpu time spent up to now is 692.0 secs Computing kpt #: 71 total cpu time spent up to now is 700.5 secs Computing kpt #: 72 total cpu time spent up to now is 709.1 secs Computing kpt #: 73 total cpu time spent up to now is 717.8 secs Computing kpt #: 74 total cpu time spent up to now is 728.6 secs Computing kpt #: 75 total cpu time spent up to now is 737.4 secs Computing kpt #: 76 total cpu time spent up to now is 746.1 secs Computing kpt #: 77 total cpu time spent up to now is 755.0 secs Computing kpt #: 78 total cpu time spent up to now is 764.1 secs Computing kpt #: 79 total cpu time spent up to now is 772.5 secs Computing kpt #: 80 total cpu time spent up to now is 780.8 secs Computing kpt #: 81 total cpu time spent up to now is 789.9 secs Computing kpt #: 82 total cpu time spent up to now is 798.6 secs Computing kpt #: 83 total cpu time spent up to now is 806.9 secs Computing kpt #: 84 total cpu time spent up to now is 815.2 secs Computing kpt #: 85 total cpu time spent up to now is 823.6 secs Computing kpt #: 86 total cpu time spent up to now is 832.0 secs Computing kpt #: 87 total cpu time spent up to now is 840.5 secs Computing kpt #: 88 total cpu time spent up to now is 849.2 secs Computing kpt #: 89 total cpu time spent up to now is 857.8 secs Computing kpt #: 90 total cpu time spent up to now is 866.3 secs Computing kpt #: 91 total cpu time spent up to now is 876.2 secs Computing kpt #: 92 total cpu time spent up to now is 885.0 secs Computing kpt #: 93 total cpu time spent up to now is 893.6 secs Computing kpt #: 94 total cpu time spent up to now is 902.1 secs Computing kpt #: 95 total cpu time spent up to now is 910.6 secs Computing kpt #: 96 total cpu time spent up to now is 919.5 secs Computing kpt #: 97 total cpu time spent up to now is 928.3 secs Computing kpt #: 98 total cpu time spent up to now is 936.7 secs Computing kpt #: 99 total cpu time spent up to now is 945.6 secs Computing kpt #: 100 total cpu time spent up to now is 954.1 secs Computing kpt #: 101 total cpu time spent up to now is 962.9 secs Computing kpt #: 102 total cpu time spent up to now is 971.2 secs Computing kpt #: 103 total cpu time spent up to now is 979.8 secs Computing kpt #: 104 total cpu time spent up to now is 988.5 secs Computing kpt #: 105 total cpu time spent up to now is 998.6 secs Computing kpt #: 106 total cpu time spent up to now is 1008.0 secs Computing kpt #: 107 total cpu time spent up to now is 1017.3 secs Computing kpt #: 108 total cpu time spent up to now is 1026.5 secs Computing kpt #: 109 total cpu time spent up to now is 1035.4 secs Computing kpt #: 110 total cpu time spent up to now is 1044.2 secs Computing kpt #: 111 total cpu time spent up to now is 1053.0 secs Computing kpt #: 112 total cpu time spent up to now is 1061.8 secs Computing kpt #: 113 total cpu time spent up to now is 1070.6 secs Computing kpt #: 114 total cpu time spent up to now is 1079.2 secs Computing kpt #: 115 total cpu time spent up to now is 1088.0 secs Computing kpt #: 116 total cpu time spent up to now is 1097.0 secs Computing kpt #: 117 total cpu time spent up to now is 1105.9 secs Computing kpt #: 118 total cpu time spent up to now is 1114.8 secs Computing kpt #: 119 total cpu time spent up to now is 1123.6 secs Computing kpt #: 120 total cpu time spent up to now is 1132.5 secs Computing kpt #: 121 total cpu time spent up to now is 1141.4 secs Computing kpt #: 122 total cpu time spent up to now is 1150.3 secs Computing kpt #: 123 total cpu time spent up to now is 1159.3 secs Computing kpt #: 124 total cpu time spent up to now is 1170.5 secs Computing kpt #: 125 total cpu time spent up to now is 1181.5 secs Computing kpt #: 126 total cpu time spent up to now is 1190.7 secs Computing kpt #: 127 total cpu time spent up to now is 1200.0 secs Computing kpt #: 128 total cpu time spent up to now is 1209.6 secs Computing kpt #: 129 total cpu time spent up to now is 1220.7 secs Computing kpt #: 130 total cpu time spent up to now is 1234.1 secs Computing kpt #: 131 total cpu time spent up to now is 1247.9 secs Computing kpt #: 132 total cpu time spent up to now is 1259.5 secs Computing kpt #: 133 total cpu time spent up to now is 1270.8 secs Computing kpt #: 134 total cpu time spent up to now is 1282.6 secs Computing kpt #: 135 total cpu time spent up to now is 1294.2 secs Computing kpt #: 136 total cpu time spent up to now is 1305.5 secs Computing kpt #: 137 total cpu time spent up to now is 1316.9 secs Computing kpt #: 138 total cpu time spent up to now is 1328.3 secs Computing kpt #: 139 total cpu time spent up to now is 1341.4 secs Computing kpt #: 140 total cpu time spent up to now is 1353.8 secs Computing kpt #: 141 total cpu time spent up to now is 1365.8 secs Computing kpt #: 142 total cpu time spent up to now is 1377.7 secs Computing kpt #: 143 total cpu time spent up to now is 1388.9 secs Computing kpt #: 144 total cpu time spent up to now is 1398.6 secs Computing kpt #: 145 total cpu time spent up to now is 1408.6 secs Computing kpt #: 146 total cpu time spent up to now is 1418.5 secs Computing kpt #: 147 total cpu time spent up to now is 1428.5 secs Computing kpt #: 148 total cpu time spent up to now is 1437.8 secs Computing kpt #: 149 total cpu time spent up to now is 1447.1 secs Computing kpt #: 150 total cpu time spent up to now is 1456.5 secs Computing kpt #: 151 total cpu time spent up to now is 1465.7 secs Computing kpt #: 152 total cpu time spent up to now is 1477.6 secs Computing kpt #: 153 total cpu time spent up to now is 1486.4 secs Computing kpt #: 154 total cpu time spent up to now is 1495.4 secs Computing kpt #: 155 total cpu time spent up to now is 1504.6 secs Computing kpt #: 156 total cpu time spent up to now is 1513.9 secs Computing kpt #: 157 total cpu time spent up to now is 1523.1 secs Computing kpt #: 158 total cpu time spent up to now is 1532.2 secs Computing kpt #: 159 total cpu time spent up to now is 1541.3 secs Computing kpt #: 160 total cpu time spent up to now is 1550.3 secs Computing kpt #: 161 total cpu time spent up to now is 1559.3 secs Computing kpt #: 162 total cpu time spent up to now is 1568.4 secs Computing kpt #: 163 total cpu time spent up to now is 1577.4 secs Computing kpt #: 164 total cpu time spent up to now is 1586.6 secs Computing kpt #: 165 total cpu time spent up to now is 1595.6 secs Computing kpt #: 166 total cpu time spent up to now is 1604.5 secs Computing kpt #: 167 total cpu time spent up to now is 1613.3 secs Computing kpt #: 168 total cpu time spent up to now is 1622.1 secs Computing kpt #: 169 total cpu time spent up to now is 1630.9 secs Computing kpt #: 170 total cpu time spent up to now is 1639.6 secs Computing kpt #: 171 total cpu time spent up to now is 1648.3 secs Computing kpt #: 172 total cpu time spent up to now is 1657.0 secs Computing kpt #: 173 total cpu time spent up to now is 1665.7 secs Computing kpt #: 174 total cpu time spent up to now is 1674.4 secs Computing kpt #: 175 total cpu time spent up to now is 1683.1 secs Computing kpt #: 176 total cpu time spent up to now is 1691.8 secs Computing kpt #: 177 total cpu time spent up to now is 1700.4 secs Computing kpt #: 178 total cpu time spent up to now is 1709.0 secs Computing kpt #: 179 total cpu time spent up to now is 1717.7 secs Computing kpt #: 180 total cpu time spent up to now is 1726.2 secs Computing kpt #: 181 total cpu time spent up to now is 1734.7 secs Computing kpt #: 182 total cpu time spent up to now is 1743.2 secs Computing kpt #: 183 total cpu time spent up to now is 1751.8 secs Computing kpt #: 184 total cpu time spent up to now is 1760.6 secs Computing kpt #: 185 total cpu time spent up to now is 1770.7 secs Computing kpt #: 186 total cpu time spent up to now is 1781.0 secs Computing kpt #: 187 total cpu time spent up to now is 1789.2 secs Computing kpt #: 188 total cpu time spent up to now is 1798.1 secs Computing kpt #: 189 total cpu time spent up to now is 1807.0 secs Computing kpt #: 190 total cpu time spent up to now is 1816.0 secs Computing kpt #: 191 total cpu time spent up to now is 1824.9 secs Computing kpt #: 192 total cpu time spent up to now is 1833.9 secs Computing kpt #: 193 total cpu time spent up to now is 1842.8 secs Computing kpt #: 194 total cpu time spent up to now is 1851.8 secs Computing kpt #: 195 total cpu time spent up to now is 1860.6 secs Computing kpt #: 196 total cpu time spent up to now is 1869.6 secs Computing kpt #: 197 total cpu time spent up to now is 1878.6 secs Computing kpt #: 198 total cpu time spent up to now is 1887.7 secs Computing kpt #: 199 total cpu time spent up to now is 1896.7 secs Computing kpt #: 200 total cpu time spent up to now is 1905.6 secs Computing kpt #: 201 total cpu time spent up to now is 1914.6 secs Computing kpt #: 202 total cpu time spent up to now is 1923.7 secs Computing kpt #: 203 total cpu time spent up to now is 1932.6 secs Computing kpt #: 204 total cpu time spent up to now is 1941.6 secs ethr = 1.39E-11, avg # of iterations = 29.9 total cpu time spent up to now is 1941.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10625 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8026 -36.8026 -35.8050 -35.8050 -35.8017 -35.8017 -35.7432 -35.7432 -35.7385 -35.7385 -6.1098 -6.1098 -4.9171 -4.9171 -3.9586 -3.9586 -3.9568 -3.9568 -3.8980 -3.8980 -3.8951 -3.8951 -1.6729 -1.6729 0.4597 0.4597 1.6492 1.6492 1.8609 1.8609 2.0930 2.0930 2.3007 2.3007 2.4750 2.4750 2.5888 2.5888 3.3279 3.3279 4.6704 4.6704 4.7479 4.7479 4.7921 4.7921 4.8463 4.8463 4.9254 4.9254 5.2625 5.2625 5.4909 5.4909 5.9706 5.9706 6.6296 6.6296 6.6917 6.6917 6.7171 6.7171 6.7286 6.7286 6.7686 6.7686 6.8965 6.8965 7.0240 7.0240 7.0551 7.0551 8.1976 8.1976 8.2397 8.2397 8.5920 8.5920 8.8469 8.8469 k = 0.0179-0.0147-0.0098 ( 10625 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8026 -36.8026 -35.8050 -35.8050 -35.8017 -35.8017 -35.7432 -35.7432 -35.7385 -35.7385 -6.1086 -6.1086 -4.9164 -4.9164 -3.9608 -3.9604 -3.9586 -3.9582 -3.8985 -3.8984 -3.8956 -3.8955 -1.6713 -1.6713 0.4591 0.4592 1.6493 1.6494 1.8625 1.8631 2.0937 2.0949 2.2912 2.2921 2.4740 2.4798 2.6015 2.6074 3.3309 3.3317 4.6560 4.6648 4.7471 4.7497 4.7824 4.7975 4.8468 4.8494 4.9282 4.9351 5.2597 5.2603 5.4877 5.4877 5.9652 5.9672 6.6154 6.6320 6.6853 6.6876 6.6987 6.7013 6.7422 6.7446 6.7666 6.7770 6.8970 6.8973 7.0234 7.0252 7.0550 7.0553 8.1975 8.1985 8.2396 8.2411 8.5865 8.5886 8.8309 8.8312 k = 0.0357-0.0294-0.0195 ( 10627 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8026 -36.8026 -35.8050 -35.8050 -35.8017 -35.8017 -35.7432 -35.7432 -35.7385 -35.7385 -6.1053 -6.1053 -4.9144 -4.9144 -3.9682 -3.9676 -3.9622 -3.9615 -3.9001 -3.8999 -3.8968 -3.8967 -1.6666 -1.6665 0.4574 0.4575 1.6498 1.6501 1.8675 1.8687 2.0968 2.0993 2.2675 2.2700 2.4816 2.4890 2.6405 2.6489 3.3405 3.3422 4.6269 4.6394 4.7444 4.7518 4.7743 4.7972 4.8492 4.8543 4.9430 4.9539 5.2519 5.2532 5.4782 5.4782 5.9512 5.9550 6.5893 6.6173 6.6609 6.6665 6.6891 6.6938 6.7516 6.7617 6.7737 6.7867 6.8989 6.8994 7.0234 7.0269 7.0550 7.0558 8.1981 8.2003 8.2411 8.2440 8.5715 8.5756 8.7973 8.7978 k = 0.0536-0.0441-0.0293 ( 10625 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8026 -36.8026 -35.8050 -35.8050 -35.8017 -35.8017 -35.7432 -35.7432 -35.7385 -35.7385 -6.0998 -6.0998 -4.9112 -4.9112 -3.9807 -3.9800 -3.9673 -3.9664 -3.9034 -3.9028 -3.8985 -3.8981 -1.6587 -1.6586 0.4546 0.4548 1.6512 1.6517 1.8745 1.8764 2.1013 2.1061 2.2383 2.2434 2.4991 2.5062 2.6951 2.7041 3.3565 3.3591 4.5879 4.6006 4.7387 4.7505 4.7696 4.7945 4.8517 4.8593 4.9655 4.9775 5.2397 5.2417 5.4629 5.4630 5.9283 5.9335 6.5504 6.5802 6.6326 6.6402 6.6880 6.6922 6.7566 6.7743 6.7831 6.7961 6.9021 6.9027 7.0238 7.0288 7.0556 7.0573 8.1992 8.2027 8.2438 8.2482 8.5460 8.5518 8.7634 8.7641 k = 0.0714-0.0588-0.0390 ( 10652 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7432 -35.7432 -35.7385 -35.7385 -6.0920 -6.0920 -4.9066 -4.9066 -3.9979 -3.9972 -3.9739 -3.9729 -3.9087 -3.9078 -3.9006 -3.9000 -1.6479 -1.6478 0.4509 0.4512 1.6540 1.6545 1.8819 1.8847 2.1044 2.1122 2.2135 2.2219 2.5257 2.5321 2.7588 2.7680 3.3786 3.3820 4.5417 4.5533 4.7306 4.7442 4.7663 4.7907 4.8548 4.8644 4.9905 5.0022 5.2239 5.2265 5.4426 5.4430 5.8965 5.9024 6.5001 6.5272 6.6043 6.6136 6.6895 6.6935 6.7591 6.7793 6.7932 6.8051 6.9062 6.9070 7.0243 7.0305 7.0573 7.0603 8.2004 8.2057 8.2475 8.2536 8.5121 8.5191 8.7354 8.7363 k = 0.0893-0.0735-0.0488 ( 10644 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7432 -35.7432 -35.7385 -35.7385 -6.0821 -6.0821 -4.9008 -4.9008 -4.0196 -4.0189 -3.9816 -3.9805 -3.9156 -3.9146 -3.9033 -3.9028 -1.6342 -1.6341 0.4466 0.4468 1.6585 1.6591 1.8884 1.8921 2.0990 2.1089 2.2066 2.2167 2.5600 2.5660 2.8285 2.8377 3.4063 3.4105 4.4900 4.5002 4.7206 4.7343 4.7616 4.7850 4.8591 4.8700 5.0141 5.0252 5.2058 5.2090 5.4185 5.4192 5.8556 5.8615 6.4418 6.4652 6.5756 6.5857 6.6918 6.6967 6.7590 6.7779 6.8031 6.8131 6.9112 6.9122 7.0252 7.0320 7.0605 7.0648 8.2011 8.2086 8.2513 8.2593 8.4745 8.4825 8.7125 8.7138 k = 0.1071-0.0882-0.0585 ( 10643 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7432 -35.7432 -35.7386 -35.7386 -6.0700 -6.0699 -4.8937 -4.8937 -4.0456 -4.0449 -3.9904 -3.9892 -3.9241 -3.9231 -3.9069 -3.9065 -1.6180 -1.6179 0.4416 0.4419 1.6651 1.6656 1.8932 1.8980 2.0826 2.0922 2.2242 2.2328 2.6013 2.6073 2.9026 2.9119 3.4389 3.4441 4.4339 4.4428 4.7086 4.7211 4.7542 4.7763 4.8648 4.8765 5.0336 5.0439 5.1873 5.1907 5.3918 5.3930 5.8059 5.8111 6.3788 6.3983 6.5465 6.5565 6.6944 6.7005 6.7559 6.7722 6.8118 6.8200 6.9169 6.9180 7.0265 7.0333 7.0649 7.0703 8.2004 8.2105 8.2538 8.2640 8.4391 8.4479 8.6922 8.6941 k = 0.1250-0.1029-0.0683 ( 10637 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8050 -35.8018 -35.8018 -35.7432 -35.7432 -35.7386 -35.7386 -6.0557 -6.0557 -4.8854 -4.8853 -4.0755 -4.0749 -3.9998 -3.9986 -3.9341 -3.9331 -3.9117 -3.9113 -1.5994 -1.5993 0.4364 0.4367 1.6736 1.6743 1.8963 1.9023 2.0612 2.0706 2.2587 2.2654 2.6490 2.6551 2.9799 2.9895 3.4759 3.4820 4.3744 4.3820 4.6939 4.7039 4.7440 4.7641 4.8714 4.8836 5.0462 5.0557 5.1706 5.1740 5.3637 5.3654 5.7484 5.7524 6.3135 6.3291 6.5171 6.5265 6.6970 6.7040 6.7499 6.7633 6.8191 6.8259 6.9229 6.9242 7.0285 7.0348 7.0702 7.0764 8.1970 8.2100 8.2535 8.2662 8.4107 8.4200 8.6729 8.6756 k = 0.1429-0.1176-0.0781 ( 10643 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7431 -35.7431 -35.7386 -35.7386 -6.0393 -6.0393 -4.8759 -4.8758 -4.1090 -4.1085 -4.0098 -4.0086 -3.9454 -3.9444 -3.9177 -3.9174 -1.5787 -1.5786 0.4309 0.4313 1.6839 1.6848 1.8984 1.9054 2.0406 2.0504 2.3038 2.3092 2.7023 2.7088 3.0598 3.0698 3.5163 3.5235 4.3120 4.3185 4.6749 4.6809 4.7321 4.7490 4.8781 4.8908 5.0499 5.0585 5.1571 5.1600 5.3351 5.3376 5.6855 5.6883 6.2479 6.2597 6.4875 6.4959 6.6991 6.7064 6.7411 6.7516 6.8252 6.8309 6.9291 6.9305 7.0312 7.0368 7.0758 7.0827 8.1897 8.2049 8.2505 8.2650 8.3921 8.4011 8.6543 8.6579 k = 0.1607-0.1323-0.0878 ( 10651 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7431 -35.7431 -35.7386 -35.7386 -6.0209 -6.0208 -4.8652 -4.8651 -4.1460 -4.1455 -4.0203 -4.0190 -3.9578 -3.9568 -3.9251 -3.9248 -1.5563 -1.5561 0.4255 0.4259 1.6956 1.6970 1.9006 1.9081 2.0238 2.0343 2.3566 2.3610 2.7608 2.7676 3.1417 3.1522 3.5593 3.5676 4.2478 4.2532 4.6486 4.6514 4.7197 4.7324 4.8839 4.8971 5.0449 5.0533 5.1449 5.1478 5.3062 5.3098 5.6213 5.6234 6.1827 6.1910 6.4579 6.4652 6.6999 6.7070 6.7302 6.7379 6.8305 6.8353 6.9354 6.9370 7.0345 7.0394 7.0815 7.0889 8.1784 8.1936 8.2459 8.2605 8.3827 8.3909 8.6369 8.6413 k = 0.1786-0.1470-0.0976 ( 10666 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7431 -35.7431 -35.7387 -35.7387 -6.0003 -6.0003 -4.8534 -4.8533 -4.1860 -4.1856 -4.0310 -4.0297 -3.9711 -3.9701 -3.9337 -3.9335 -1.5324 -1.5322 0.4203 0.4206 1.7081 1.7103 1.9038 1.9113 2.0128 2.0237 2.4151 2.4190 2.8236 2.8308 3.2248 3.2361 3.6036 3.6133 4.1828 4.1872 4.6104 4.6168 4.7077 4.7162 4.8869 4.9011 5.0331 5.0424 5.1302 5.1345 5.2762 5.2812 5.5618 5.5647 6.1184 6.1239 6.4284 6.4344 6.6973 6.7041 6.7186 6.7243 6.8351 6.8393 6.9417 6.9435 7.0380 7.0426 7.0871 7.0949 8.1642 8.1775 8.2402 8.2528 8.3799 8.3868 8.6215 8.6267 k = 0.1964-0.1617-0.1073 ( 10656 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7430 -35.7430 -35.7387 -35.7387 -5.9778 -5.9778 -4.8405 -4.8404 -4.2288 -4.2284 -4.0418 -4.0406 -3.9852 -3.9841 -3.9436 -3.9433 -1.5074 -1.5072 0.4153 0.4157 1.7208 1.7239 1.9091 1.9155 2.0088 2.0195 2.4780 2.4815 2.8901 2.8977 3.3084 3.3207 3.6476 3.6587 4.1186 4.1225 4.5633 4.5739 4.6962 4.7017 4.8846 4.9001 5.0145 5.0257 5.1120 5.1193 5.2437 5.2508 5.5143 5.5187 6.0550 6.0586 6.3990 6.4039 6.6861 6.6936 6.7099 6.7168 6.8392 6.8430 6.9480 6.9498 7.0417 7.0463 7.0926 7.1007 8.1488 8.1593 8.2319 8.2417 8.3810 8.3868 8.6088 8.6146 k = 0.2143-0.1764-0.1171 ( 10653 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7430 -35.7430 -35.7387 -35.7387 -5.9534 -5.9533 -4.8266 -4.8266 -4.2740 -4.2736 -4.0528 -4.0515 -3.9998 -3.9987 -3.9546 -3.9544 -1.4817 -1.4815 0.4106 0.4110 1.7331 1.7374 1.9169 1.9214 2.0130 2.0226 2.5441 2.5472 2.9596 2.9678 3.3917 3.4053 3.6882 3.7011 4.0583 4.0624 4.5090 4.5230 4.6851 4.6890 4.8723 4.8892 4.9870 4.9990 5.0958 5.1056 5.2109 5.2200 5.4824 5.4887 5.9920 5.9954 6.3696 6.3739 6.6674 6.6746 6.7064 6.7130 6.8430 6.8466 6.9541 6.9559 7.0451 7.0501 7.0980 7.1064 8.1329 8.1403 8.2206 8.2274 8.3848 8.3899 8.5988 8.6051 k = 0.2321-0.1912-0.1268 ( 10657 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7430 -35.7430 -35.7388 -35.7388 -5.9271 -5.9270 -4.8119 -4.8118 -4.3212 -4.3208 -4.0638 -4.0625 -4.0148 -4.0138 -3.9667 -3.9664 -1.4555 -1.4553 0.4064 0.4067 1.7450 1.7505 1.9268 1.9294 2.0259 2.0339 2.6120 2.6149 3.0313 3.0401 3.4736 3.4887 3.7197 3.7344 4.0075 4.0138 4.4494 4.4659 4.6740 4.6776 4.8411 4.8587 4.9548 4.9657 5.0857 5.0961 5.1844 5.1942 5.4640 5.4720 5.9297 5.9343 6.3403 6.3444 6.6443 6.6517 6.7036 6.7095 6.8465 6.8501 6.9599 6.9617 7.0482 7.0537 7.1036 7.1121 8.1154 8.1202 8.2073 8.2121 8.3908 8.3954 8.5911 8.5975 k = 0.2500-0.2059-0.1366 ( 10659 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7430 -35.7430 -35.7388 -35.7388 -5.8990 -5.8989 -4.7963 -4.7963 -4.3700 -4.3697 -4.0748 -4.0735 -4.0301 -4.0290 -3.9795 -3.9792 -1.4293 -1.4291 0.4025 0.4029 1.7567 1.7632 1.9373 1.9406 2.0478 2.0539 2.6803 2.6830 3.1042 3.1139 3.5524 3.5692 3.7316 3.7477 3.9776 3.9881 4.3865 4.4047 4.6613 4.6660 4.7848 4.8024 4.9278 4.9389 5.0770 5.0866 5.1717 5.1794 5.4534 5.4635 5.8689 5.8752 6.3111 6.3157 6.6181 6.6263 6.7005 6.7055 6.8501 6.8535 6.9652 6.9669 7.0511 7.0569 7.1094 7.1178 8.0935 8.0982 8.1946 8.2000 8.3984 8.4029 8.5846 8.5910 k = 0.2679-0.2206-0.1463 ( 10660 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8028 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7429 -35.7429 -35.7389 -35.7389 -5.8692 -5.8691 -4.7802 -4.7802 -4.4199 -4.4196 -4.0859 -4.0846 -4.0453 -4.0443 -3.9929 -3.9926 -1.4033 -1.4031 0.3991 0.3994 1.7689 1.7763 1.9490 1.9543 2.0779 2.0827 2.7472 2.7496 3.1772 3.1881 3.6257 3.6438 3.7164 3.7342 3.9779 3.9936 4.3230 4.3423 4.6382 4.6467 4.7200 4.7362 4.9060 4.9184 5.0642 5.0732 5.1752 5.1785 5.4457 5.4582 5.8101 5.8183 6.2821 6.2877 6.5894 6.5986 6.6969 6.7010 6.8535 6.8569 6.9697 6.9715 7.0539 7.0595 7.1155 7.1237 8.0662 8.0722 8.1866 8.1935 8.4072 8.4117 8.5783 8.5846 k = 0.2857-0.2353-0.1561 ( 10669 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7429 -35.7429 -35.7389 -35.7389 -5.8379 -5.8378 -4.7638 -4.7637 -4.4705 -4.4702 -4.0973 -4.0960 -4.0603 -4.0592 -4.0066 -4.0062 -1.3779 -1.3777 0.3960 0.3963 1.7824 1.7903 1.9628 1.9695 2.1156 2.1196 2.8103 2.8126 3.2485 3.2613 3.6772 3.6829 3.6975 3.7272 4.0018 4.0221 4.2626 4.2822 4.5802 4.5948 4.6846 4.6955 4.8849 4.8984 5.0477 5.0576 5.1884 5.1909 5.4371 5.4524 5.7541 5.7648 6.2536 6.2603 6.5585 6.5687 6.6927 6.6961 6.8570 6.8603 6.9732 6.9752 7.0566 7.0619 7.1219 7.1296 8.0350 8.0419 8.1853 8.1928 8.4165 8.4211 8.5715 8.5774 k = 0.3036-0.2500-0.1659 ( 10667 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7428 -35.7428 -35.7390 -35.7389 -5.8051 -5.8051 -4.7476 -4.7475 -4.5208 -4.5205 -4.1093 -4.1081 -4.0744 -4.0735 -4.0202 -4.0199 -1.3535 -1.3533 0.3934 0.3936 1.7976 1.8058 1.9786 1.9864 2.1600 2.1636 2.8665 2.8688 3.3158 3.3313 3.6430 3.6519 3.7460 3.7746 4.0358 4.0597 4.2111 4.2297 4.4987 4.5155 4.6749 4.6843 4.8624 4.8765 5.0309 5.0423 5.2061 5.2123 5.4248 5.4431 5.7023 5.7157 6.2258 6.2335 6.5256 6.5368 6.6882 6.6910 6.8604 6.8637 6.9755 6.9778 7.0596 7.0642 7.1284 7.1356 8.0021 8.0091 8.1902 8.1977 8.4258 8.4306 8.5635 8.5691 k = 0.3214-0.2647-0.1756 ( 10673 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7428 -35.7428 -35.7390 -35.7390 -5.7712 -5.7711 -4.7329 -4.7328 -4.5694 -4.5691 -4.1225 -4.1215 -4.0873 -4.0865 -4.0336 -4.0332 -1.3302 -1.3300 0.3910 0.3913 1.8150 1.8234 1.9965 2.0049 2.2103 2.2138 2.9116 2.9143 3.3755 3.3947 3.6104 3.6219 3.7790 3.8103 4.0697 4.0943 4.1781 4.1932 4.4185 4.4351 4.6730 4.6836 4.8385 4.8529 5.0158 5.0285 5.2265 5.2375 5.4074 5.4281 5.6560 5.6723 6.1989 6.2074 6.4912 6.5032 6.6836 6.6858 6.8639 6.8671 6.9764 6.9790 7.0629 7.0669 7.1347 7.1414 7.9693 7.9761 8.2002 8.2074 8.4344 8.4395 8.5543 8.5594 k = 0.3393-0.2794-0.1854 ( 10675 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7428 -35.7428 -35.7390 -35.7390 -5.7363 -5.7362 -4.7232 -4.7231 -4.6123 -4.6121 -4.1370 -4.1363 -4.0984 -4.0978 -4.0463 -4.0459 -1.3084 -1.3082 0.3890 0.3892 1.8348 1.8433 2.0161 2.0248 2.2659 2.2695 2.9413 2.9449 3.4229 3.4453 3.5908 3.6037 3.7906 3.8245 4.0930 4.1128 4.1700 4.1846 4.3517 4.3689 4.6740 4.6867 4.8149 4.8296 5.0032 5.0170 5.2456 5.2644 5.3853 5.4064 5.6169 5.6353 6.1730 6.1821 6.4557 6.4681 6.6789 6.6807 6.8673 6.8704 6.9761 6.9789 7.0666 7.0699 7.1408 7.1469 7.9382 7.9446 8.2144 8.2213 8.4417 8.4473 8.5442 8.5487 k = 0.3571-0.2941-0.1951 ( 10678 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7427 -35.7427 -35.7391 -35.7391 -5.7008 -5.7007 -4.7291 -4.7290 -4.6389 -4.6387 -4.1530 -4.1524 -4.1077 -4.1072 -4.0582 -4.0577 -1.2883 -1.2881 0.3873 0.3875 1.8569 1.8652 2.0369 2.0457 2.3263 2.3302 2.9524 2.9575 3.4541 3.4752 3.5844 3.5948 3.7902 3.8253 4.0998 4.1151 4.1751 4.1956 4.3081 4.3364 4.6737 4.6888 4.7958 4.8115 4.9934 5.0083 5.2560 5.2902 5.3613 5.3829 5.5851 5.6041 6.1484 6.1576 6.4196 6.4323 6.6743 6.6757 6.8708 6.8738 6.9745 6.9775 7.0707 7.0734 7.1464 7.1520 7.9100 7.9159 8.2322 8.2390 8.4466 8.4531 8.5338 8.5382 k = 0.3750-0.3088-0.2049 ( 10671 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7427 -35.7427 -35.7391 -35.7391 -5.6651 -5.6650 -4.7586 -4.7584 -4.6408 -4.6407 -4.1698 -4.1694 -4.1154 -4.1150 -4.0690 -4.0685 -1.2701 -1.2699 0.3858 0.3859 1.8809 1.8891 2.0584 2.0671 2.3909 2.3953 2.9454 2.9525 3.4651 3.4791 3.5812 3.5859 3.7978 3.8311 4.0884 4.1131 4.1786 4.2065 4.2978 4.3392 4.6668 4.6832 4.7874 4.8054 4.9872 5.0031 5.2470 5.3029 5.3432 5.3735 5.5593 5.5775 6.1251 6.1340 6.3840 6.3963 6.6700 6.6711 6.8743 6.8772 6.9720 6.9750 7.0749 7.0772 7.1515 7.1566 7.8855 7.8909 8.2530 8.2596 8.4478 8.4556 8.5245 8.5295 k = 0.3929-0.3235-0.2146 ( 10675 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7427 -35.7427 -35.7391 -35.7391 -5.6297 -5.6296 -4.7991 -4.7990 -4.6301 -4.6300 -4.1868 -4.1866 -4.1218 -4.1214 -4.0786 -4.0781 -1.2539 -1.2538 0.3845 0.3846 1.9063 1.9142 2.0797 2.0881 2.4593 2.4645 2.9245 2.9339 3.4416 3.4534 3.5763 3.5828 3.8218 3.8516 4.0745 4.1088 4.1847 4.2179 4.3084 4.3545 4.6516 4.6676 4.7923 4.8127 4.9864 5.0030 5.2193 5.2771 5.3547 5.3816 5.5379 5.5544 6.1035 6.1117 6.3496 6.3611 6.6660 6.6670 6.8778 6.8805 6.9688 6.9716 7.0792 7.0810 7.1560 7.1605 7.8650 7.8698 8.2761 8.2826 8.4445 8.4535 8.5180 8.5242 k = 0.4107-0.3382-0.2244 ( 10672 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.5956 -5.5955 -4.8410 -4.8409 -4.6161 -4.6160 -4.2034 -4.2032 -4.1270 -4.1266 -4.0868 -4.0864 -1.2401 -1.2399 0.3834 0.3835 1.9322 1.9397 2.1000 2.1080 2.5307 2.5373 2.8956 2.9080 3.3838 3.3990 3.5755 3.5834 3.8568 3.8836 4.0753 4.1115 4.1948 4.2285 4.3190 4.3651 4.6332 4.6480 4.8046 4.8258 4.9936 5.0100 5.1837 5.2404 5.3704 5.3940 5.5209 5.5356 6.0837 6.0910 6.3179 6.3280 6.6625 6.6633 6.8812 6.8836 6.9651 6.9677 7.0832 7.0847 7.1598 7.1638 7.8487 7.8529 8.3006 8.3070 8.4371 8.4465 8.5153 8.5223 k = 0.4286-0.3529-0.2342 ( 10668 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.5637 -5.5637 -4.8803 -4.8802 -4.6020 -4.6019 -4.2188 -4.2187 -4.1312 -4.1308 -4.0937 -4.0933 -1.2285 -1.2284 0.3825 0.3826 1.9575 1.9642 2.1183 2.1256 2.6036 2.6128 2.8646 2.8814 3.3087 3.3254 3.5727 3.5794 3.8985 3.9230 4.0928 4.1255 4.2048 4.2360 4.3200 4.3639 4.6178 4.6307 4.8171 4.8365 5.0090 5.0261 5.1485 5.2075 5.3762 5.4001 5.5103 5.5241 6.0660 6.0722 6.2899 6.2983 6.6596 6.6602 6.8844 6.8866 6.9614 6.9637 7.0868 7.0880 7.1630 7.1663 7.8365 7.8399 8.3253 8.3314 8.4274 8.4365 8.5156 8.5227 k = 0.4464-0.3676-0.2439 ( 10673 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.5357 -5.5356 -4.9147 -4.9146 -4.5894 -4.5893 -4.2322 -4.2321 -4.1343 -4.1339 -4.0991 -4.0988 -1.2194 -1.2194 0.3819 0.3820 1.9806 1.9863 2.1337 2.1399 2.6741 2.6891 2.8377 2.8623 3.2254 3.2425 3.5649 3.5698 3.9456 3.9684 4.1185 4.1437 4.2131 4.2397 4.3099 4.3502 4.6080 4.6184 4.8262 4.8415 5.0260 5.0488 5.1218 5.1850 5.3685 5.3928 5.5093 5.5218 6.0510 6.0561 6.2669 6.2732 6.6572 6.6577 6.8874 6.8892 6.9580 6.9599 7.0898 7.0907 7.1655 7.1681 7.8278 7.8305 8.3486 8.3542 8.4176 8.4262 8.5174 8.5240 k = 0.4643-0.3823-0.2537 ( 10675 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.5133 -5.5132 -4.9417 -4.9417 -4.5793 -4.5793 -4.2427 -4.2426 -4.1364 -4.1362 -4.1030 -4.1027 -1.2129 -1.2129 0.3814 0.3815 1.9996 2.0038 2.1456 2.1501 2.7303 2.7539 2.8301 2.8660 3.1384 3.1559 3.5554 3.5586 3.9954 4.0170 4.1360 4.1560 4.2185 4.2455 4.2929 4.3293 4.6031 4.6105 4.8321 4.8424 5.0366 5.0588 5.1217 5.1774 5.3516 5.3735 5.5156 5.5250 6.0395 6.0433 6.2500 6.2542 6.6556 6.6559 6.8899 6.8912 6.9553 6.9566 7.0921 7.0927 7.1674 7.1692 7.8223 7.8241 8.3683 8.3731 8.4092 8.4173 8.5198 8.5250 k = 0.4821-0.3970-0.2634 ( 10657 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4986 -5.4986 -4.9592 -4.9592 -4.5728 -4.5728 -4.2494 -4.2494 -4.1377 -4.1375 -4.1053 -4.1052 -1.2090 -1.2089 0.3811 0.3812 2.0126 2.0149 2.1533 2.1558 2.7555 2.7689 2.8819 2.9111 3.0505 3.0690 3.5482 3.5498 4.0435 4.0632 4.1299 4.1515 4.2270 4.2566 4.2775 4.3074 4.6016 4.6055 4.8359 4.8411 5.0398 5.0500 5.1479 5.1786 5.3360 5.3504 5.5232 5.5282 6.0325 6.0346 6.2400 6.2420 6.6546 6.6547 6.8917 6.8924 6.9537 6.9544 7.0936 7.0939 7.1688 7.1697 7.8194 7.8203 8.3818 8.3858 8.4043 8.4106 8.5223 8.5252 k = 0.5000-0.4117-0.2732 ( 10656 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4935 -5.4935 -4.9653 -4.9653 -4.5706 -4.5706 -4.2517 -4.2517 -4.1380 -4.1380 -4.1060 -4.1060 -1.2076 -1.2076 0.3810 0.3810 2.0180 2.0180 2.1568 2.1568 2.7634 2.7634 2.9619 2.9619 2.9865 2.9865 3.5460 3.5460 4.0794 4.0794 4.1277 4.1277 4.2451 4.2451 4.2876 4.2876 4.6025 4.6025 4.8388 4.8388 5.0426 5.0426 5.1712 5.1712 5.3346 5.3346 5.5279 5.5279 6.0309 6.0309 6.2372 6.2372 6.6543 6.6543 6.8925 6.8925 6.9533 6.9533 7.0942 7.0942 7.1695 7.1695 7.8188 7.8188 8.3882 8.3882 8.4057 8.4057 8.5242 8.5242 k = 0.5000-0.4117-0.2732 ( 10656 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4935 -5.4935 -4.9653 -4.9653 -4.5706 -4.5706 -4.2517 -4.2517 -4.1380 -4.1380 -4.1060 -4.1060 -1.2076 -1.2076 0.3810 0.3810 2.0180 2.0180 2.1568 2.1568 2.7634 2.7634 2.9619 2.9619 2.9865 2.9865 3.5460 3.5460 4.0794 4.0794 4.1277 4.1277 4.2451 4.2451 4.2876 4.2876 4.6025 4.6025 4.8388 4.8388 5.0426 5.0426 5.1712 5.1712 5.3346 5.3346 5.5279 5.5279 6.0309 6.0309 6.2372 6.2372 6.6543 6.6543 6.8925 6.8925 6.9533 6.9533 7.0942 7.0942 7.1695 7.1695 7.8188 7.8188 8.3882 8.3882 8.4057 8.4057 8.5242 8.5242 k = 0.5000-0.3981-0.2936 ( 10662 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4927 -5.4927 -4.9644 -4.9644 -4.5702 -4.5702 -4.2521 -4.2521 -4.1420 -4.1418 -4.1055 -4.1053 -1.2059 -1.2058 0.3827 0.3828 2.0169 2.0178 2.1580 2.1589 2.7593 2.7632 2.9546 2.9619 2.9825 2.9906 3.5424 3.5451 4.0753 4.0881 4.1234 4.1364 4.2350 4.2541 4.2825 4.3019 4.6011 4.6024 4.8342 4.8378 5.0382 5.0412 5.1695 5.1769 5.3301 5.3408 5.5312 5.5370 6.0290 6.0301 6.2371 6.2374 6.6530 6.6535 6.8895 6.8901 6.9544 6.9546 7.0932 7.0944 7.1683 7.1696 7.8210 7.8219 8.3841 8.3872 8.4046 8.4081 8.5227 8.5237 k = 0.5000-0.3846-0.3141 ( 10670 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4903 -5.4903 -4.9619 -4.9619 -4.5691 -4.5691 -4.2536 -4.2535 -4.1518 -4.1515 -4.1049 -4.1047 -1.2005 -1.2004 0.3876 0.3878 2.0146 2.0164 2.1626 2.1641 2.7509 2.7583 2.9439 2.9540 2.9798 2.9914 3.5345 3.5395 4.0754 4.0986 4.1260 4.1498 4.2279 4.2548 4.2936 4.3211 4.5982 4.6007 4.8246 4.8316 5.0291 5.0346 5.1704 5.1842 5.3307 5.3495 5.5461 5.5561 6.0246 6.0269 6.2373 6.2378 6.6497 6.6506 6.8815 6.8825 6.9575 6.9578 7.0914 7.0937 7.1661 7.1685 7.8284 7.8300 8.3758 8.3797 8.4060 8.4109 8.5198 8.5217 k = 0.5000-0.3710-0.3346 ( 10658 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7425 -35.7425 -35.7392 -35.7392 -5.4864 -5.4864 -4.9578 -4.9578 -4.5672 -4.5672 -4.2570 -4.2569 -4.1645 -4.1643 -4.1063 -4.1060 -1.1918 -1.1917 0.3957 0.3960 2.0117 2.0142 2.1703 2.1724 2.7378 2.7480 2.9321 2.9429 2.9753 2.9877 3.5230 3.5296 4.0787 4.1053 4.1395 4.1678 4.2246 4.2535 4.3145 4.3439 4.5932 4.5971 4.8117 4.8217 5.0170 5.0245 5.1713 5.1892 5.3407 5.3636 5.5690 5.5814 6.0176 6.0211 6.2379 6.2386 6.6442 6.6456 6.8694 6.8708 6.9616 6.9620 7.0889 7.0922 7.1629 7.1664 7.8404 7.8428 8.3626 8.3665 8.4090 8.4146 8.5171 8.5200 k = 0.5000-0.3574-0.3550 ( 10656 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7425 -35.7425 -35.7392 -35.7392 -5.4809 -5.4809 -4.9520 -4.9520 -4.5647 -4.5647 -4.2641 -4.2640 -4.1773 -4.1770 -4.1104 -4.1101 -1.1801 -1.1799 0.4067 0.4070 2.0086 2.0117 2.1810 2.1835 2.7194 2.7316 2.9211 2.9316 2.9674 2.9795 3.5085 3.5159 4.0844 4.1098 4.1600 4.1887 4.2257 4.2562 4.3396 4.3694 4.5853 4.5910 4.7979 4.8102 5.0034 5.0123 5.1710 5.1905 5.3615 5.3849 5.5959 5.6094 6.0082 6.0131 6.2393 6.2403 6.6368 6.6385 6.8538 6.8556 6.9662 6.9668 7.0859 7.0900 7.1588 7.1633 7.8561 7.8592 8.3445 8.3488 8.4127 8.4194 8.5166 8.5203 k = 0.5000-0.3438-0.3755 ( 10658 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7425 -35.7425 -35.7392 -35.7392 -5.4740 -5.4740 -4.9446 -4.9445 -4.5617 -4.5617 -4.2772 -4.2770 -4.1871 -4.1869 -4.1173 -4.1171 -1.1657 -1.1655 0.4202 0.4206 2.0060 2.0095 2.1946 2.1973 2.6957 2.7087 2.9116 2.9209 2.9570 2.9681 3.4912 3.4989 4.0920 4.1157 4.1799 4.2063 4.2353 4.2659 4.3670 4.3967 4.5742 4.5820 4.7853 4.7995 4.9893 4.9991 5.1702 5.1898 5.3903 5.4122 5.6237 5.6375 5.9966 6.0031 6.2419 6.2431 6.6272 6.6292 6.8353 6.8373 6.9708 6.9716 7.0825 7.0874 7.1541 7.1593 7.8744 7.8783 8.3229 8.3278 8.4172 8.4252 8.5195 8.5237 k = 0.5000-0.3302-0.3960 ( 10666 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7425 -35.7425 -35.7393 -35.7393 -5.4657 -5.4656 -4.9355 -4.9355 -4.5583 -4.5582 -4.2974 -4.2971 -4.1923 -4.1922 -4.1270 -4.1268 -1.1493 -1.1490 0.4358 0.4363 2.0046 2.0085 2.2108 2.2135 2.6672 2.6801 2.9024 2.9098 2.9466 2.9559 3.4715 3.4788 4.1011 4.1236 4.1940 4.2136 4.2583 4.2846 4.3954 4.4249 4.5603 4.5708 4.7758 4.7911 4.9754 4.9858 5.1698 5.1891 5.4237 5.4433 5.6499 5.6637 5.9834 5.9916 6.2460 6.2475 6.6157 6.6179 6.8142 6.8164 6.9753 6.9765 7.0791 7.0845 7.1489 7.1547 7.8940 7.8986 8.3000 8.3056 8.4222 8.4315 8.5264 8.5311 k = 0.5000-0.3167-0.4164 ( 10664 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7425 -35.7425 -35.7393 -35.7393 -5.4560 -5.4560 -4.9249 -4.9249 -4.5547 -4.5546 -4.3238 -4.3234 -4.1934 -4.1933 -4.1390 -4.1388 -1.1314 -1.1311 0.4529 0.4535 2.0051 2.0093 2.2293 2.2319 2.6349 2.6472 2.8901 2.8963 2.9393 2.9466 3.4494 3.4563 4.1108 4.1328 4.2009 4.2158 4.2877 4.3103 4.4237 4.4527 4.5454 4.5595 4.7700 4.7858 4.9621 4.9729 5.1706 5.1894 5.4586 5.4755 5.6727 5.6864 5.9693 5.9795 6.2519 6.2537 6.6024 6.6048 6.7907 6.7932 6.9799 6.9812 7.0757 7.0815 7.1434 7.1496 7.9135 7.9187 8.2782 8.2846 8.4275 8.4377 8.5375 8.5428 k = 0.5000-0.3031-0.4369 ( 10658 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7425 -35.7425 -35.7393 -35.7393 -5.4452 -5.4451 -4.9127 -4.9127 -4.5511 -4.5511 -4.3547 -4.3543 -4.1917 -4.1916 -4.1527 -4.1525 -1.1126 -1.1122 0.4709 0.4716 2.0082 2.0127 2.2493 2.2519 2.6006 2.6121 2.8731 2.8790 2.9368 2.9427 3.4255 3.4318 4.1190 4.1406 4.2020 4.2171 4.3183 4.3395 4.4499 4.4771 4.5344 4.5523 4.7678 4.7836 4.9497 4.9608 5.1726 5.1910 5.4923 5.5063 5.6906 5.7048 5.9555 5.9678 6.2596 6.2618 6.5877 6.5901 6.7655 6.7680 6.9844 6.9859 7.0725 7.0785 7.1377 7.1440 7.9316 7.9373 8.2598 8.2669 8.4326 8.4432 8.5526 8.5592 k = 0.5000-0.2895-0.4574 ( 10674 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7425 -35.7425 -35.7393 -35.7393 -5.4334 -5.4333 -4.8991 -4.8990 -4.5480 -4.5479 -4.3887 -4.3883 -4.1891 -4.1888 -4.1669 -4.1666 -1.0936 -1.0932 0.4894 0.4901 2.0145 2.0194 2.2698 2.2722 2.5665 2.5773 2.8531 2.8588 2.9382 2.9430 3.4006 3.4062 4.1221 4.1422 4.2010 4.2192 4.3478 4.3695 4.4702 4.4921 4.5352 4.5558 4.7681 4.7838 4.9382 4.9495 5.1757 5.1936 5.5222 5.5333 5.7023 5.7182 5.9438 5.9580 6.2689 6.2716 6.5719 6.5742 6.7389 6.7415 6.9888 6.9905 7.0696 7.0756 7.1319 7.1384 7.9472 7.9532 8.2463 8.2543 8.4371 8.4475 8.5707 8.5801 k = 0.5000-0.2759-0.4778 ( 10656 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7425 -35.7425 -35.7393 -35.7393 -5.4207 -5.4206 -4.8840 -4.8839 -4.5459 -4.5458 -4.4246 -4.4242 -4.1917 -4.1910 -4.1751 -4.1745 -1.0750 -1.0745 0.5075 0.5083 2.0247 2.0299 2.2881 2.2903 2.5363 2.5462 2.8320 2.8372 2.9418 2.9459 3.3755 3.3807 4.1157 4.1319 4.2033 4.2236 4.3747 4.3988 4.4818 4.4983 4.5499 4.5731 4.7702 4.7857 4.9274 4.9388 5.1794 5.1966 5.5450 5.5547 5.7077 5.7263 5.9359 5.9514 6.2793 6.2826 6.5557 6.5580 6.7119 6.7145 6.9933 6.9951 7.0672 7.0730 7.1264 7.1327 7.9600 7.9662 8.2386 8.2473 8.4406 8.4505 8.5902 8.6045 k = 0.5000-0.2623-0.4983 ( 10644 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8050 -35.8018 -35.8018 -35.7425 -35.7425 -35.7393 -35.7393 -5.4074 -5.4073 -4.8675 -4.8674 -4.5454 -4.5453 -4.4613 -4.4609 -4.2044 -4.2040 -4.1714 -4.1710 -1.0574 -1.0569 0.5247 0.5255 2.0392 2.0448 2.2995 2.3016 2.5157 2.5246 2.8111 2.8156 2.9461 2.9497 3.3517 3.3565 4.0969 4.1092 4.2101 4.2311 4.3978 4.4259 4.4898 4.5044 4.5720 4.5976 4.7732 4.7886 4.9171 4.9286 5.1828 5.1994 5.5581 5.5693 5.7077 5.7293 5.9331 5.9483 6.2903 6.2941 6.5400 6.5421 6.6852 6.6877 6.9977 6.9996 7.0654 7.0708 7.1213 7.1273 7.9705 7.9768 8.2359 8.2454 8.4430 8.4520 8.6077 8.6296 k = 0.5000-0.2488-0.5188 ( 10644 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8050 -35.8018 -35.8018 -35.7425 -35.7424 -35.7393 -35.7393 -5.3939 -5.3938 -4.8498 -4.8496 -4.5477 -4.5475 -4.4976 -4.4972 -4.2187 -4.2183 -4.1642 -4.1639 -1.0413 -1.0408 0.5404 0.5413 2.0582 2.0643 2.2978 2.2998 2.5118 2.5190 2.7911 2.7950 2.9499 2.9534 3.3307 3.3352 4.0673 4.0774 4.2193 4.2404 4.4165 4.4492 4.4995 4.5130 4.5961 4.6234 4.7766 4.7920 4.9069 4.9183 5.1853 5.2010 5.5608 5.5754 5.7043 5.7278 5.9350 5.9484 6.3011 6.3055 6.5259 6.5278 6.6598 6.6622 7.0019 7.0040 7.0642 7.0690 7.1167 7.1223 7.9799 7.9863 8.2366 8.2464 8.4446 8.4523 8.6184 8.6504 k = 0.5000-0.2352-0.5392 ( 10646 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8050 -35.8018 -35.8018 -35.7425 -35.7424 -35.7393 -35.7393 -5.3805 -5.3804 -4.8309 -4.8306 -4.5561 -4.5559 -4.5300 -4.5296 -4.2313 -4.2311 -4.1558 -4.1556 -1.0274 -1.0268 0.5541 0.5550 2.0817 2.0885 2.2807 2.2834 2.5270 2.5323 2.7724 2.7759 2.9524 2.9561 3.3140 3.3184 4.0302 4.0396 4.2289 4.2501 4.4309 4.4668 4.5110 4.5235 4.6196 4.6476 4.7800 4.7956 4.8965 4.9077 5.1859 5.2006 5.5551 5.5728 5.6993 5.7229 5.9393 5.9500 6.3110 6.3158 6.5147 6.5163 6.6367 6.6391 7.0060 7.0082 7.0639 7.0679 7.1130 7.1179 7.9894 7.9960 8.2372 8.2471 8.4463 8.4523 8.6171 8.6560 k = 0.5000-0.2216-0.5597 ( 10648 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7425 -35.7424 -35.7393 -35.7393 -5.3677 -5.3676 -4.8110 -4.8107 -4.5792 -4.5788 -4.5496 -4.5495 -4.2411 -4.2410 -4.1466 -4.1464 -1.0159 -1.0153 0.5654 0.5664 2.1086 2.1167 2.2531 2.2573 2.5569 2.5605 2.7551 2.7584 2.9531 2.9575 3.3031 3.3074 3.9886 3.9978 4.2380 4.2592 4.4414 4.4785 4.5225 4.5339 4.6404 4.6681 4.7833 4.7988 4.8857 4.8965 5.1839 5.1975 5.5443 5.5638 5.6931 5.7155 5.9427 5.9506 6.3195 6.3246 6.5079 6.5091 6.6171 6.6195 7.0098 7.0122 7.0644 7.0674 7.1102 7.1144 8.0000 8.0071 8.2334 8.2429 8.4500 8.4547 8.6045 8.6405 k = 0.5000-0.2080-0.5802 ( 10660 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7425 -35.7424 -35.7394 -35.7393 -5.3561 -5.3560 -4.7905 -4.7901 -4.6098 -4.6092 -4.5632 -4.5630 -4.2473 -4.2472 -4.1367 -4.1365 -1.0071 -1.0066 0.5741 0.5751 2.1351 2.1461 2.2232 2.2303 2.5952 2.5980 2.7392 2.7429 2.9528 2.9581 3.2988 3.3032 3.9446 3.9538 4.2460 4.2669 4.4481 4.4847 4.5309 4.5426 4.6563 4.6826 4.7867 4.8014 4.8743 4.8847 5.1788 5.1911 5.5320 5.5525 5.6852 5.7059 5.9421 5.9481 6.3261 6.3313 6.5063 6.5071 6.6019 6.6042 7.0132 7.0157 7.0656 7.0677 7.1085 7.1121 8.0117 8.0200 8.2204 8.2296 8.4576 8.4642 8.5875 8.6178 k = 0.5000-0.1944-0.6006 ( 10666 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7425 -35.7424 -35.7394 -35.7393 -5.3465 -5.3464 -4.7700 -4.7693 -4.6388 -4.6380 -4.5782 -4.5780 -4.2495 -4.2495 -4.1262 -4.1260 -1.0015 -1.0009 0.5800 0.5810 2.1446 2.1570 2.2132 2.2221 2.6361 2.6390 2.7252 2.7307 2.9532 2.9598 3.3013 3.3059 3.8997 3.9091 4.2521 4.2728 4.4504 4.4858 4.5346 4.5491 4.6646 4.6887 4.7900 4.8033 4.8627 4.8728 5.1704 5.1812 5.5218 5.5427 5.6751 5.6945 5.9356 5.9414 6.3311 6.3362 6.5102 6.5110 6.5917 6.5941 7.0162 7.0187 7.0674 7.0691 7.1082 7.1112 8.0235 8.0341 8.1961 8.2064 8.4718 8.4833 8.5718 8.5986 k = 0.5000-0.1809-0.6211 ( 10670 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8029 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7425 -35.7425 -35.7394 -35.7393 -5.3396 -5.3395 -4.7508 -4.7496 -4.6634 -4.6622 -4.5951 -4.5950 -4.2478 -4.2478 -4.1153 -4.1151 -0.9989 -0.9984 0.5831 0.5841 2.1231 2.1307 2.2428 2.2478 2.6690 2.6732 2.7185 2.7287 2.9580 2.9661 3.3102 3.3149 3.8551 3.8650 4.2560 4.2762 4.4474 4.4807 4.5348 4.5527 4.6628 4.6845 4.7915 4.8029 4.8526 4.8629 5.1587 5.1677 5.5156 5.5372 5.6627 5.6814 5.9230 5.9298 6.3348 6.3396 6.5191 6.5203 6.5870 6.5897 7.0184 7.0210 7.0693 7.0715 7.1095 7.1120 8.0325 8.0473 8.1637 8.1779 8.4922 8.5109 8.5600 8.5868 k = 0.5000-0.1673-0.6416 ( 10658 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7425 -35.7424 -35.7394 -35.7393 -5.3363 -5.3362 -4.7363 -4.7343 -4.6814 -4.6792 -4.6117 -4.6114 -4.2425 -4.2425 -4.1040 -4.1038 -0.9996 -0.9990 0.5835 0.5845 2.0906 2.0960 2.2829 2.2871 2.6745 2.6775 2.7387 2.7510 2.9720 2.9814 3.3245 3.3293 3.8118 3.8224 4.2572 4.2764 4.4380 4.4683 4.5330 4.5537 4.6499 4.6703 4.7859 4.7963 4.8484 4.8589 5.1443 5.1514 5.5140 5.5364 5.6485 5.6672 5.9059 5.9140 6.3380 6.3425 6.5314 6.5332 6.5885 6.5914 7.0199 7.0225 7.0715 7.0748 7.1125 7.1148 8.0313 8.0519 8.1340 8.1540 8.5114 8.5371 8.5603 8.5883 k = 0.5000-0.1537-0.6620 ( 10660 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7425 -35.7425 -35.7394 -35.7393 -5.3374 -5.3373 -4.7320 -4.7293 -4.6910 -4.6879 -4.6220 -4.6215 -4.2342 -4.2341 -4.0923 -4.0921 -1.0034 -1.0029 0.5814 0.5824 2.0565 2.0610 2.3244 2.3288 2.6642 2.6650 2.7695 2.7820 2.9999 3.0099 3.3429 3.3480 3.7710 3.7823 4.2549 4.2729 4.4215 4.4484 4.5297 4.5519 4.6272 4.6479 4.7702 4.7820 4.8519 4.8618 5.1278 5.1331 5.5153 5.5384 5.6340 5.6530 5.8863 5.8959 6.3415 6.3458 6.5448 6.5469 6.5968 6.6000 7.0203 7.0229 7.0743 7.0785 7.1173 7.1195 8.0116 8.0316 8.1262 8.1461 8.5183 8.5361 8.5942 8.6126 k = 0.5000-0.1401-0.6825 ( 10660 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7425 -35.7425 -35.7393 -35.7393 -5.3433 -5.3432 -4.7381 -4.7354 -4.6980 -4.6950 -4.6181 -4.6174 -4.2233 -4.2232 -4.0804 -4.0802 -1.0104 -1.0099 0.5772 0.5781 2.0232 2.0273 2.3631 2.3681 2.6505 2.6518 2.7958 2.8083 3.0433 3.0525 3.3646 3.3699 3.7335 3.7459 4.2488 4.2651 4.3974 4.4215 4.5229 4.5465 4.5977 4.6205 4.7481 4.7630 4.8597 4.8687 5.1099 5.1136 5.5157 5.5383 5.6226 5.6410 5.8665 5.8780 6.3464 6.3505 6.5573 6.5595 6.6122 6.6153 7.0197 7.0223 7.0777 7.0825 7.1237 7.1259 7.9765 7.9917 8.1370 8.1527 8.5151 8.5294 8.6317 8.6554 k = 0.5000-0.1265-0.7029 ( 10654 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7425 -35.7425 -35.7393 -35.7393 -5.3542 -5.3541 -4.7519 -4.7501 -4.7033 -4.7011 -4.6009 -4.6003 -4.2105 -4.2104 -4.0683 -4.0682 -1.0203 -1.0198 0.5710 0.5720 1.9916 1.9955 2.3947 2.4001 2.6394 2.6416 2.8174 2.8294 3.0989 3.1064 3.3887 3.3941 3.7006 3.7143 4.2388 4.2529 4.3658 4.3887 4.5064 4.5362 4.5654 4.5945 4.7239 4.7424 4.8688 4.8768 5.0911 5.0938 5.5104 5.5294 5.6191 5.6342 5.8490 5.8624 6.3535 6.3576 6.5686 6.5708 6.6328 6.6360 7.0182 7.0207 7.0817 7.0868 7.1316 7.1338 7.9353 7.9470 8.1530 8.1659 8.5088 8.5221 8.6505 8.6807 k = 0.7799 0.0055-0.3898 ( 10654 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7425 -35.7425 -35.7393 -35.7393 -5.3542 -5.3541 -4.7519 -4.7501 -4.7033 -4.7011 -4.6009 -4.6003 -4.2105 -4.2104 -4.0683 -4.0682 -1.0203 -1.0198 0.5710 0.5720 1.9916 1.9955 2.3947 2.4001 2.6394 2.6416 2.8174 2.8294 3.0989 3.1064 3.3887 3.3941 3.7006 3.7143 4.2388 4.2529 4.3658 4.3887 4.5064 4.5362 4.5654 4.5945 4.7239 4.7424 4.8688 4.8768 5.0911 5.0938 5.5104 5.5294 5.6191 5.6342 5.8490 5.8624 6.3535 6.3576 6.5686 6.5708 6.6328 6.6360 7.0182 7.0207 7.0817 7.0868 7.1316 7.1338 7.9353 7.9470 8.1530 8.1659 8.5088 8.5221 8.6505 8.6807 k = 0.7695 0.0141-0.3695 ( 10652 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7425 -35.7425 -35.7393 -35.7393 -5.3698 -5.3697 -4.7735 -4.7725 -4.7005 -4.6991 -4.5774 -4.5768 -4.1962 -4.1961 -4.0563 -4.0561 -1.0328 -1.0324 0.5635 0.5644 1.9626 1.9663 2.4144 2.4197 2.6348 2.6375 2.8363 2.8478 3.1609 3.1663 3.4144 3.4197 3.6739 3.6888 4.2250 4.2372 4.3278 4.3508 4.4761 4.5106 4.5432 4.5750 4.7012 4.7230 4.8778 4.8848 5.0721 5.0743 5.4967 5.5104 5.6228 5.6340 5.8356 5.8511 6.3636 6.3677 6.5793 6.5815 6.6561 6.6594 7.0157 7.0181 7.0861 7.0911 7.1407 7.1428 7.8941 7.9036 8.1692 8.1804 8.5017 8.5146 8.6392 8.6585 k = 0.7591 0.0226-0.3493 ( 10654 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7425 -35.7393 -35.7392 -5.3897 -5.3895 -4.8002 -4.7997 -4.6898 -4.6888 -4.5507 -4.5502 -4.1808 -4.1806 -4.0442 -4.0440 -1.0479 -1.0475 0.5550 0.5558 1.9360 1.9397 2.4199 2.4246 2.6379 2.6409 2.8540 2.8650 3.2246 3.2285 3.4421 3.4471 3.6543 3.6701 4.2073 4.2187 4.2842 4.3076 4.4372 4.4697 4.5314 4.5575 4.6834 4.7065 4.8865 4.8927 5.0531 5.0552 5.4753 5.4847 5.6287 5.6390 5.8273 5.8446 6.3772 6.3815 6.5903 6.5925 6.6804 6.6839 7.0126 7.0147 7.0909 7.0956 7.1508 7.1528 7.8549 7.8629 8.1840 8.1942 8.4940 8.5067 8.6159 8.6312 k = 0.7488 0.0311-0.3291 ( 10638 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8050 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4130 -5.4129 -4.8293 -4.8290 -4.6726 -4.6719 -4.5223 -4.5217 -4.1644 -4.1642 -4.0321 -4.0320 -1.0653 -1.0649 0.5457 0.5465 1.9122 1.9158 2.4128 2.4166 2.6461 2.6494 2.8701 2.8804 3.2847 3.2894 3.4724 3.4774 3.6424 3.6590 4.1839 4.1970 4.2387 4.2613 4.3964 4.4266 4.5177 4.5372 4.6729 4.6953 4.8946 4.9002 5.0343 5.0367 5.4489 5.4554 5.6344 5.6457 5.8243 5.8429 6.3948 6.3993 6.6017 6.6039 6.7047 6.7084 7.0088 7.0107 7.0959 7.1000 7.1618 7.1638 7.8190 7.8259 8.1967 8.2063 8.4852 8.4974 8.5911 8.6040 k = 0.7384 0.0397-0.3088 ( 10640 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8050 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4390 -5.4389 -4.8595 -4.8594 -4.6502 -4.6496 -4.4927 -4.4922 -4.1474 -4.1472 -4.0202 -4.0200 -1.0848 -1.0844 0.5361 0.5369 1.8913 1.8949 2.3970 2.3999 2.6549 2.6585 2.8827 2.8920 3.3379 3.3447 3.5064 3.5122 3.6381 3.6552 4.1474 4.1645 4.2010 4.2190 4.3585 4.3882 4.4995 4.5130 4.6704 4.6907 4.9019 4.9071 5.0165 5.0193 5.4197 5.4243 5.6390 5.6514 5.8262 5.8452 6.4164 6.4210 6.6136 6.6158 6.7281 6.7320 7.0045 7.0062 7.1008 7.1044 7.1736 7.1755 7.7872 7.7933 8.2070 8.2161 8.4741 8.4849 8.5691 8.5793 k = 0.7280 0.0482-0.2886 ( 10634 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8062 -36.8062 -36.8028 -36.8028 -35.8050 -35.8050 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7391 -5.4670 -5.4668 -4.8900 -4.8900 -4.6236 -4.6231 -4.4625 -4.4620 -4.1299 -4.1298 -4.0084 -4.0082 -1.1062 -1.1058 0.5266 0.5272 1.8733 1.8769 2.3762 2.3784 2.6611 2.6649 2.8891 2.8971 3.3828 3.3910 3.5442 3.5512 3.6402 3.6581 4.0960 4.1157 4.1715 4.1861 4.3290 4.3608 4.4785 4.4880 4.6747 4.6927 4.9074 4.9127 5.0007 5.0044 5.3893 5.3925 5.6420 5.6552 5.8326 5.8510 6.4416 6.4464 6.6260 6.6283 6.7504 6.7544 6.9998 7.0013 7.1055 7.1085 7.1861 7.1880 7.7600 7.7654 8.2148 8.2235 8.4593 8.4677 8.5519 8.5589 k = 0.7177 0.0567-0.2684 ( 10628 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8062 -36.8062 -36.8028 -36.8028 -35.8050 -35.8050 -35.8018 -35.8018 -35.7427 -35.7426 -35.7391 -35.7391 -5.4962 -5.4961 -4.9204 -4.9204 -4.5935 -4.5930 -4.4317 -4.4313 -4.1122 -4.1121 -3.9968 -3.9966 -1.1293 -1.1289 0.5173 0.5179 1.8585 1.8622 2.3528 2.3546 2.6629 2.6668 2.8873 2.8938 3.4194 3.4275 3.5820 3.5901 3.6480 3.6673 4.0392 4.0600 4.1372 4.1537 4.3131 4.3469 4.4601 4.4687 4.6842 4.7005 4.9094 4.9147 4.9894 4.9942 5.3588 5.3610 5.6427 5.6562 5.8433 5.8601 6.4699 6.4747 6.6388 6.6411 6.7710 6.7751 6.9947 6.9962 7.1099 7.1124 7.1991 7.2010 7.7377 7.7426 8.2202 8.2284 8.4402 8.4466 8.5387 8.5434 k = 0.7073 0.0653-0.2481 ( 10628 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8062 -36.8062 -36.8028 -36.8027 -35.8050 -35.8050 -35.8018 -35.8017 -35.7427 -35.7427 -35.7391 -35.7391 -5.5261 -5.5260 -4.9504 -4.9504 -4.5606 -4.5601 -4.4007 -4.4003 -4.0945 -4.0943 -3.9856 -3.9854 -1.1538 -1.1535 0.5087 0.5093 1.8470 1.8506 2.3283 2.3302 2.6599 2.6636 2.8766 2.8816 3.4460 3.4528 3.6126 3.6210 3.6650 3.6842 3.9844 4.0053 4.0965 4.1159 4.3062 4.3360 4.4555 4.4686 4.6975 4.7125 4.9062 4.9107 4.9847 4.9917 5.3288 5.3310 5.6402 5.6541 5.8582 5.8730 6.5005 6.5053 6.6519 6.6542 6.7898 6.7939 6.9893 6.9909 7.1138 7.1159 7.2127 7.2145 7.7206 7.7251 8.2231 8.2307 8.4181 8.4239 8.5266 8.5314 k = 0.6969 0.0738-0.2279 ( 10626 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8062 -36.8062 -36.8027 -36.8027 -35.8050 -35.8050 -35.8018 -35.8017 -35.7427 -35.7427 -35.7390 -35.7390 -5.5562 -5.5561 -4.9797 -4.9797 -4.5254 -4.5250 -4.3696 -4.3692 -4.0768 -4.0766 -3.9747 -3.9745 -1.1795 -1.1792 0.5010 0.5015 1.8387 1.8424 2.3036 2.3058 2.6517 2.6551 2.8577 2.8616 3.4568 3.4614 3.6323 3.6399 3.6938 3.7086 3.9359 3.9552 4.0561 4.0783 4.2944 4.3146 4.4769 4.4991 4.7134 4.7275 4.8981 4.9016 4.9868 4.9970 5.3004 5.3034 5.6339 5.6484 5.8774 5.8899 6.5324 6.5370 6.6654 6.6676 6.8066 6.8107 6.9837 6.9854 7.1171 7.1189 7.2264 7.2282 7.7091 7.7132 8.2231 8.2299 8.3953 8.4022 8.5139 8.5203 k = 0.6866 0.0824-0.2077 ( 10608 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8062 -36.8062 -36.8027 -36.8027 -35.8050 -35.8050 -35.8017 -35.8017 -35.7428 -35.7428 -35.7390 -35.7390 -5.5860 -5.5859 -5.0082 -5.0082 -4.4885 -4.4881 -4.3386 -4.3382 -4.0594 -4.0591 -3.9642 -3.9640 -1.2063 -1.2060 0.4943 0.4948 1.8337 1.8376 2.2794 2.2820 2.6384 2.6414 2.8323 2.8361 3.4447 3.4476 3.6425 3.6529 3.7266 3.7358 3.8969 3.9109 4.0248 4.0505 4.2727 4.2844 4.5240 4.5541 4.7310 4.7439 4.8878 4.8910 4.9939 5.0079 5.2750 5.2794 5.6233 5.6388 5.9010 5.9113 6.5645 6.5690 6.6792 6.6813 6.8213 6.8253 6.9780 6.9800 7.1197 7.1211 7.2400 7.2418 7.7037 7.7074 8.2195 8.2252 8.3743 8.3831 8.5001 8.5083 k = 0.6762 0.0909-0.1874 ( 10610 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8062 -36.8062 -36.8027 -36.8027 -35.8050 -35.8050 -35.8017 -35.8017 -35.7428 -35.7428 -35.7389 -35.7389 -5.6154 -5.6153 -5.0357 -5.0357 -4.4504 -4.4499 -4.3078 -4.3074 -4.0423 -4.0420 -3.9543 -3.9541 -1.2339 -1.2337 0.4890 0.4894 1.8321 1.8361 2.2560 2.2592 2.6199 2.6224 2.8029 2.8072 3.4089 3.4115 3.6386 3.6531 3.7591 3.7635 3.8717 3.8771 4.0093 4.0380 4.2462 4.2529 4.5856 4.6216 4.7495 4.7606 4.8787 4.8835 5.0046 5.0225 5.2543 5.2603 5.6087 5.6256 5.9287 5.9370 6.5958 6.6001 6.6937 6.6956 6.8338 6.8377 6.9722 6.9744 7.1213 7.1226 7.2530 7.2547 7.7048 7.7083 8.2111 8.2156 8.3565 8.3678 8.4852 8.4952 k = 0.6658 0.0994-0.1672 ( 10616 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8062 -36.8062 -36.8027 -36.8027 -35.8050 -35.8050 -35.8017 -35.8017 -35.7428 -35.7428 -35.7389 -35.7389 -5.6439 -5.6438 -5.0621 -5.0620 -4.4113 -4.4109 -4.2774 -4.2770 -4.0257 -4.0254 -3.9449 -3.9447 -1.2621 -1.2619 0.4850 0.4854 1.8339 1.8380 2.2337 2.2376 2.5964 2.5984 2.7721 2.7771 3.3552 3.3582 3.6111 3.6271 3.7866 3.7941 3.8623 3.8672 4.0086 4.0392 4.2195 4.2272 4.6470 4.6869 4.7693 4.7798 4.8753 4.8832 5.0198 5.0407 5.2400 5.2477 5.5906 5.6092 5.9600 5.9668 6.6251 6.6291 6.7091 6.7109 6.8440 6.8479 6.9665 6.9689 7.1219 7.1229 7.2646 7.2663 7.7131 7.7164 8.1975 8.2006 8.3419 8.3556 8.4710 8.4827 k = 0.6555 0.1080-0.1470 ( 10622 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8062 -36.8062 -36.8027 -36.8027 -35.8050 -35.8050 -35.8017 -35.8017 -35.7429 -35.7429 -35.7388 -35.7388 -5.6714 -5.6713 -5.0873 -5.0872 -4.3718 -4.3713 -4.2474 -4.2471 -4.0097 -4.0095 -3.9362 -3.9359 -1.2907 -1.2904 0.4825 0.4829 1.8390 1.8433 2.2126 2.2173 2.5683 2.5697 2.7420 2.7473 3.2905 3.2935 3.5605 3.5755 3.8066 3.8208 3.8725 3.8802 4.0164 4.0470 4.2001 4.2120 4.6900 4.7256 4.7939 4.8087 4.8853 4.8944 5.0432 5.0642 5.2347 5.2435 5.5700 5.5907 5.9946 6.0002 6.6510 6.6547 6.7263 6.7279 6.8520 6.8557 6.9608 6.9633 7.1213 7.1221 7.2742 7.2760 7.7291 7.7323 8.1792 8.1810 8.3280 8.3432 8.4609 8.4734 k = 0.6451 0.1165-0.1267 ( 10614 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8062 -36.8062 -36.8027 -36.8027 -35.8050 -35.8050 -35.8017 -35.8017 -35.7429 -35.7429 -35.7388 -35.7388 -5.6978 -5.6977 -5.1112 -5.1111 -4.3321 -4.3317 -4.2181 -4.2178 -3.9945 -3.9942 -3.9282 -3.9279 -1.3194 -1.3192 0.4815 0.4818 1.8474 1.8519 2.1929 2.1983 2.5365 2.5371 2.7137 2.7192 3.2196 3.2225 3.4953 3.5085 3.8189 3.8354 3.8984 3.9034 4.0282 4.0546 4.1970 4.2106 4.7064 4.7325 4.8174 4.8318 4.9150 4.9216 5.0811 5.0961 5.2410 5.2499 5.5484 5.5719 6.0321 6.0369 6.6725 6.6760 6.7458 6.7471 6.8577 6.8613 6.9553 6.9578 7.1192 7.1199 7.2812 7.2830 7.7531 7.7563 8.1575 8.1582 8.3115 8.3266 8.4588 8.4706 k = 0.6347 0.1250-0.1065 ( 10620 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8062 -36.8027 -36.8027 -35.8050 -35.8050 -35.8017 -35.8017 -35.7430 -35.7430 -35.7388 -35.7388 -5.7227 -5.7226 -5.1337 -5.1337 -4.2926 -4.2922 -4.1896 -4.1892 -3.9801 -3.9798 -3.9209 -3.9207 -1.3480 -1.3478 0.4820 0.4823 1.8591 1.8638 2.1745 2.1807 2.5020 2.5023 2.6877 2.6931 3.1457 3.1485 3.4224 3.4340 3.8230 3.8369 3.9246 3.9298 4.0450 4.0631 4.2122 4.2241 4.7063 4.7261 4.8267 4.8393 4.9492 4.9574 5.1322 5.1372 5.2622 5.2700 5.5290 5.5562 6.0720 6.0762 6.6896 6.6928 6.7670 6.7681 6.8612 6.8645 6.9499 6.9524 7.1158 7.1164 7.2849 7.2869 7.7850 7.7883 8.1337 8.1341 8.2906 8.3043 8.4660 8.4759 k = 0.6244 0.1336-0.0862 ( 10622 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8027 -36.8027 -35.8050 -35.8050 -35.8017 -35.8017 -35.7430 -35.7430 -35.7387 -35.7387 -5.7462 -5.7461 -5.1548 -5.1547 -4.2537 -4.2532 -4.1619 -4.1616 -3.9666 -3.9663 -3.9145 -3.9143 -1.3762 -1.3760 0.4840 0.4843 1.8739 1.8789 2.1575 2.1645 2.4661 2.4670 2.6639 2.6691 3.0709 3.0736 3.3459 3.3561 3.8165 3.8256 3.9442 3.9541 4.0707 4.0820 4.2401 4.2491 4.6988 4.7149 4.8251 4.8360 4.9793 4.9883 5.1759 5.1833 5.2976 5.3054 5.5198 5.5513 6.1142 6.1180 6.7031 6.7060 6.7889 6.7899 6.8626 6.8655 6.9448 6.9470 7.1110 7.1116 7.2853 7.2873 7.8240 7.8275 8.1086 8.1099 8.2662 8.2785 8.4811 8.4889 k = 0.6140 0.1421-0.0660 ( 10630 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8027 -36.8027 -35.8050 -35.8050 -35.8017 -35.8017 -35.7430 -35.7430 -35.7387 -35.7387 -5.7681 -5.7681 -5.1744 -5.1743 -4.2156 -4.2152 -4.1354 -4.1350 -3.9543 -3.9539 -3.9090 -3.9087 -1.4038 -1.4037 0.4873 0.4876 1.8916 1.8969 2.1419 2.1497 2.4307 2.4322 2.6423 2.6470 2.9968 2.9994 3.2682 3.2772 3.7984 3.8043 3.9599 3.9741 4.1055 4.1143 4.2745 4.2808 4.6882 4.7019 4.8166 4.8255 5.0053 5.0137 5.2089 5.2190 5.3304 5.3396 5.5398 5.5718 6.1584 6.1619 6.7139 6.7166 6.8099 6.8108 6.8622 6.8646 6.9400 6.9417 7.1049 7.1055 7.2821 7.2842 7.8682 7.8722 8.0837 8.0862 8.2410 8.2524 8.5021 8.5081 k = 0.6037 0.1506-0.0458 ( 10634 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8027 -36.8027 -35.8050 -35.8050 -35.8017 -35.8017 -35.7431 -35.7431 -35.7386 -35.7386 -5.7884 -5.7883 -5.1924 -5.1924 -4.1788 -4.1784 -4.1099 -4.1096 -3.9431 -3.9427 -3.9045 -3.9042 -1.4305 -1.4304 0.4918 0.4920 1.9119 1.9176 2.1279 2.1365 2.3972 2.3993 2.6224 2.6268 2.9244 2.9270 3.1909 3.1989 3.7716 3.7765 3.9748 3.9914 4.1473 4.1555 4.3113 4.3157 4.6765 4.6884 4.8036 4.8106 5.0278 5.0356 5.2340 5.2438 5.3421 5.3493 5.6029 5.6283 6.2044 6.2076 6.7228 6.7253 6.8280 6.8291 6.8611 6.8629 6.9354 6.9366 7.0978 7.0984 7.2755 7.2775 7.9141 7.9187 8.0598 8.0640 8.2192 8.2305 8.5274 8.5320 k = 0.5933 0.1592-0.0255 ( 10638 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8027 -36.8027 -35.8050 -35.8050 -35.8017 -35.8017 -35.7431 -35.7431 -35.7386 -35.7386 -5.8069 -5.8068 -5.2089 -5.2088 -4.1435 -4.1431 -4.0858 -4.0855 -3.9331 -3.9328 -3.9009 -3.9006 -1.4560 -1.4559 0.4972 0.4974 1.9340 1.9402 2.1159 2.1252 2.3667 2.3691 2.6043 2.6083 2.8547 2.8572 3.1150 3.1222 3.7405 3.7452 3.9897 4.0071 4.1936 4.2015 4.3484 4.3515 4.6646 4.6751 4.7876 4.7930 5.0466 5.0545 5.2495 5.2566 5.3403 5.3467 5.6926 5.7107 6.2522 6.2552 6.7300 6.7324 6.8379 6.8392 6.8643 6.8653 6.9310 6.9319 7.0899 7.0905 7.2654 7.2674 7.9543 7.9599 8.0378 8.0447 8.2084 8.2198 8.5557 8.5593 k = 0.5829 0.1677-0.0053 ( 10644 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8027 -36.8027 -35.8050 -35.8050 -35.8017 -35.8017 -35.7431 -35.7431 -35.7386 -35.7386 -5.8236 -5.8235 -5.2237 -5.2236 -4.1101 -4.1096 -4.0630 -4.0627 -3.9246 -3.9242 -3.8985 -3.8981 -1.4800 -1.4799 0.5034 0.5035 1.9570 1.9635 2.1070 2.1168 2.3398 2.3425 2.5879 2.5913 2.7881 2.7904 3.0418 3.0482 3.7083 3.7127 4.0044 4.0213 4.2424 4.2500 4.3845 4.3868 4.6532 4.6624 4.7699 4.7740 5.0607 5.0695 5.2489 5.2522 5.3457 5.3500 5.7909 5.8041 6.3018 6.3046 6.7358 6.7380 6.8358 6.8365 6.8752 6.8762 6.9269 6.9281 7.0817 7.0822 7.2518 7.2537 7.9762 7.9836 8.0198 8.0305 8.2196 8.2304 8.5863 8.5891 k = 0.5726 0.1762 0.0149 ( 10658 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8027 -36.8027 -35.8050 -35.8050 -35.8017 -35.8017 -35.7432 -35.7432 -35.7386 -35.7386 -5.8384 -5.8384 -5.2368 -5.2368 -4.0788 -4.0784 -4.0417 -4.0414 -3.9176 -3.9172 -3.8971 -3.8968 -1.5022 -1.5021 0.5099 0.5101 1.9784 1.9850 2.1036 2.1133 2.3171 2.3200 2.5730 2.5759 2.7250 2.7270 2.9722 2.9779 3.6770 3.6810 4.0183 4.0340 4.2926 4.2997 4.4189 4.4208 4.6426 4.6505 4.7512 4.7545 5.0680 5.0782 5.2319 5.2386 5.3616 5.3635 5.8892 5.8989 6.3532 6.3558 6.7400 6.7422 6.8275 6.8280 6.8869 6.8887 6.9237 6.9255 7.0734 7.0739 7.2348 7.2365 7.9753 7.9820 8.0085 8.0187 8.2592 8.2678 8.6185 8.6206 k = 0.5622 0.1848 0.0352 ( 10664 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8027 -36.8027 -35.8050 -35.8050 -35.8017 -35.8017 -35.7432 -35.7432 -35.7386 -35.7386 -5.8514 -5.8513 -5.2483 -5.2482 -4.0501 -4.0496 -4.0220 -4.0217 -3.9123 -3.9118 -3.8969 -3.8965 -1.5222 -1.5221 0.5165 0.5167 1.9950 2.0005 2.1096 2.1183 2.2986 2.3018 2.5598 2.5619 2.6658 2.6671 2.9075 2.9125 3.6478 3.6513 4.0311 4.0451 4.3429 4.3494 4.4512 4.4530 4.6333 4.6397 4.7323 4.7348 5.0658 5.0766 5.2143 5.2239 5.3811 5.3819 5.9825 5.9898 6.4066 6.4089 6.7424 6.7444 6.8164 6.8171 6.8955 6.8979 6.9233 6.9257 7.0655 7.0660 7.2144 7.2160 7.9640 7.9683 7.9967 8.0037 8.3192 8.3258 8.6520 8.6536 k = 0.5518 0.1933 0.0554 ( 10672 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8050 -35.8018 -35.8017 -35.7432 -35.7432 -35.7386 -35.7386 -5.8624 -5.8624 -5.2580 -5.2580 -4.0241 -4.0237 -4.0040 -4.0037 -3.9086 -3.9081 -3.8978 -3.8974 -1.5397 -1.5396 0.5229 0.5230 2.0036 2.0071 2.1277 2.1346 2.2844 2.2883 2.5479 2.5490 2.6100 2.6112 2.8490 2.8533 3.6218 3.6247 4.0425 4.0546 4.3921 4.3979 4.4814 4.4832 4.6254 4.6302 4.7134 4.7155 5.0521 5.0616 5.2047 5.2143 5.4003 5.4006 6.0673 6.0727 6.4616 6.4635 6.7425 6.7443 6.8042 6.8049 6.8990 6.9012 6.9280 6.9301 7.0581 7.0587 7.1910 7.1924 7.9509 7.9534 7.9820 7.9866 8.3885 8.3936 8.6872 8.6883 k = 0.5415 0.2018 0.0756 ( 10672 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8027 -36.8027 -35.8050 -35.8050 -35.8017 -35.8017 -35.7432 -35.7432 -35.7386 -35.7386 -5.8714 -5.8714 -5.2660 -5.2660 -4.0012 -4.0007 -3.9878 -3.9876 -3.9068 -3.9063 -3.8998 -3.8994 -1.5545 -1.5545 0.5287 0.5288 2.0053 2.0070 2.1549 2.1612 2.2745 2.2796 2.5321 2.5387 2.5563 2.5637 2.7984 2.8019 3.5996 3.6020 4.0524 4.0623 4.4385 4.4434 4.5095 4.5114 4.6191 4.6224 4.6948 4.6966 5.0287 5.0359 5.2034 5.2110 5.4174 5.4175 6.1407 6.1447 6.5174 6.5188 6.7399 6.7414 6.7917 6.7923 6.8986 6.9004 6.9360 6.9377 7.0515 7.0522 7.1653 7.1665 7.9386 7.9399 7.9674 7.9704 8.4582 8.4622 8.7252 8.7259 k = 0.5311 0.2104 0.0959 ( 10670 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8026 -36.8026 -35.8050 -35.8050 -35.8017 -35.8017 -35.7432 -35.7432 -35.7385 -35.7385 -5.8785 -5.8785 -5.2722 -5.2722 -3.9816 -3.9812 -3.9737 -3.9735 -3.9068 -3.9063 -3.9027 -3.9023 -1.5663 -1.5663 0.5336 0.5337 2.0033 2.0039 2.1856 2.1929 2.2702 2.2772 2.4970 2.5042 2.5315 2.5395 2.7572 2.7599 3.5819 3.5837 4.0605 4.0681 4.4795 4.4836 4.5356 4.5376 4.6148 4.6164 4.6770 4.6785 5.0009 5.0058 5.2063 5.2117 5.4315 5.4315 6.2006 6.2034 6.5721 6.5730 6.7346 6.7357 6.7793 6.7796 6.8971 6.8985 6.9449 6.9465 7.0455 7.0465 7.1389 7.1397 7.9280 7.9285 7.9550 7.9570 8.5203 8.5233 8.7682 8.7685 k = 0.5207 0.2189 0.1161 ( 10676 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8026 -36.8026 -35.8050 -35.8050 -35.8017 -35.8017 -35.7433 -35.7433 -35.7385 -35.7385 -5.8835 -5.8835 -5.2767 -5.2766 -3.9661 -3.9657 -3.9621 -3.9619 -3.9085 -3.9081 -3.9059 -3.9056 -1.5749 -1.5749 0.5373 0.5374 2.0004 2.0006 2.2122 2.2200 2.2772 2.2852 2.4514 2.4547 2.5259 2.5301 2.7269 2.7287 3.5690 3.5702 4.0668 4.0719 4.5119 4.5151 4.5596 4.5611 4.6122 4.6130 4.6604 4.6617 4.9745 4.9775 5.2102 5.2135 5.4419 5.4419 6.2451 6.2469 6.6223 6.6227 6.7283 6.7289 6.7659 6.7661 6.8955 6.8966 6.9539 6.9554 7.0399 7.0411 7.1147 7.1151 7.9197 7.9198 7.9460 7.9472 8.5674 8.5696 8.8162 8.8163 k = 0.5104 0.2274 0.1363 ( 10688 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8026 -36.8026 -35.8050 -35.8050 -35.8017 -35.8017 -35.7433 -35.7433 -35.7385 -35.7385 -5.8866 -5.8866 -5.2793 -5.2793 -3.9556 -3.9554 -3.9537 -3.9536 -3.9109 -3.9108 -3.9085 -3.9085 -1.5801 -1.5801 0.5397 0.5397 1.9982 1.9982 2.2270 2.2313 2.3027 2.3075 2.4080 2.4090 2.5229 2.5248 2.7086 2.7095 3.5612 3.5618 4.0711 4.0737 4.5328 4.5348 4.5792 4.5797 4.6113 4.6117 4.6470 4.6478 4.9552 4.9567 5.2133 5.2149 5.4483 5.4483 6.2728 6.2737 6.6625 6.6626 6.7238 6.7240 6.7505 6.7508 6.8946 6.8952 6.9619 6.9630 7.0349 7.0360 7.0972 7.0973 7.9143 7.9143 7.9406 7.9412 8.5959 8.5969 8.8611 8.8611 k = 0.5000 0.2360 0.1566 ( 10734 PWs) bands (ev): -64.7662 -64.7662 -64.7615 -64.7615 -36.8064 -36.8064 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7433 -35.7433 -35.7386 -35.7386 -5.8876 -5.8876 -5.2802 -5.2802 -3.9519 -3.9519 -3.9502 -3.9502 -3.9122 -3.9122 -3.9097 -3.9097 -1.5819 -1.5819 0.5405 0.5405 1.9973 1.9973 2.2321 2.2321 2.3259 2.3259 2.3823 2.3823 2.5225 2.5225 2.7027 2.7027 3.5588 3.5588 4.0735 4.0735 4.5407 4.5407 4.5879 4.5879 4.6110 4.6110 4.6415 4.6415 4.9486 4.9486 5.2149 5.2149 5.4504 5.4504 6.2825 6.2825 6.6804 6.6804 6.7238 6.7238 6.7399 6.7399 6.8945 6.8945 6.9659 6.9659 7.0329 7.0329 7.0908 7.0908 7.9124 7.9124 7.9390 7.9390 8.6055 8.6055 8.8813 8.8813 k = 0.5000 0.2360 0.1566 ( 10734 PWs) bands (ev): -64.7662 -64.7662 -64.7615 -64.7615 -36.8064 -36.8064 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7433 -35.7433 -35.7386 -35.7386 -5.8876 -5.8876 -5.2802 -5.2802 -3.9519 -3.9519 -3.9502 -3.9502 -3.9122 -3.9122 -3.9097 -3.9097 -1.5819 -1.5819 0.5405 0.5405 1.9973 1.9973 2.2321 2.2321 2.3259 2.3259 2.3823 2.3823 2.5225 2.5225 2.7027 2.7027 3.5588 3.5588 4.0735 4.0735 4.5407 4.5407 4.5879 4.5879 4.6110 4.6110 4.6415 4.6415 4.9486 4.9486 5.2149 5.2149 5.4504 5.4504 6.2825 6.2825 6.6804 6.6804 6.7238 6.7238 6.7399 6.7399 6.8945 6.8945 6.9659 6.9659 7.0329 7.0329 7.0908 7.0908 7.9124 7.9124 7.9390 7.9390 8.6055 8.6055 8.8813 8.8813 k = 0.4783 0.2257 0.1498 ( 10697 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8064 -36.8064 -36.8027 -36.8027 -35.8051 -35.8051 -35.8017 -35.8017 -35.7433 -35.7433 -35.7386 -35.7386 -5.8892 -5.8892 -5.2780 -5.2780 -3.9526 -3.9513 -3.9508 -3.9496 -3.9128 -3.9115 -3.9103 -3.9090 -1.5822 -1.5822 0.5399 0.5400 1.9948 1.9977 2.2299 2.2323 2.3248 2.3264 2.3806 2.3847 2.5162 2.5175 2.7008 2.7049 3.5567 3.5575 4.0810 4.0820 4.5360 4.5370 4.5705 4.5745 4.6272 4.6291 4.6462 4.6487 4.9508 4.9517 5.2146 5.2153 5.4502 5.4507 6.2828 6.2833 6.6802 6.6808 6.7234 6.7240 6.7394 6.7400 6.8945 6.8945 6.9657 6.9658 7.0328 7.0335 7.0904 7.0916 7.9131 7.9150 7.9398 7.9416 8.6053 8.6058 8.8808 8.8813 k = 0.4565 0.2155 0.1430 ( 10703 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8064 -36.8064 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7433 -35.7433 -35.7386 -35.7386 -5.8938 -5.8938 -5.2716 -5.2715 -3.9533 -3.9516 -3.9508 -3.9491 -3.9132 -3.9107 -3.9107 -3.9081 -1.5833 -1.5832 0.5384 0.5386 1.9901 1.9959 2.2257 2.2304 2.3231 2.3263 2.3794 2.3873 2.4989 2.5017 2.6992 2.7071 3.5518 3.5532 4.1036 4.1056 4.5256 4.5277 4.5489 4.5540 4.6538 4.6550 4.6603 4.6650 4.9585 4.9602 5.2143 5.2158 5.4501 5.4509 6.2843 6.2852 6.6800 6.6813 6.7226 6.7239 6.7383 6.7395 6.8945 6.8946 6.9650 6.9653 7.0331 7.0345 7.0903 7.0926 7.9170 7.9208 7.9439 7.9475 8.6052 8.6063 8.8796 8.8808 k = 0.4348 0.2052 0.1362 ( 10697 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7433 -35.7433 -35.7386 -35.7386 -5.9013 -5.9013 -5.2611 -5.2611 -3.9540 -3.9523 -3.9504 -3.9487 -3.9134 -3.9109 -3.9097 -3.9072 -1.5850 -1.5849 0.5359 0.5363 1.9837 1.9920 2.2196 2.2265 2.3205 2.3255 2.3786 2.3902 2.4720 2.4763 2.6979 2.7095 3.5450 3.5467 4.1385 4.1414 4.5136 4.5168 4.5294 4.5352 4.6798 4.6814 4.6829 4.6866 4.9718 4.9742 5.2143 5.2164 5.4499 5.4512 6.2869 6.2883 6.6800 6.6819 6.7217 6.7237 6.7367 6.7385 6.8946 6.8946 6.9641 6.9646 7.0337 7.0358 7.0905 7.0939 7.9239 7.9296 7.9510 7.9564 8.6054 8.6071 8.8781 8.8798 k = 0.4130 0.1949 0.1294 ( 10685 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7433 -35.7433 -35.7385 -35.7385 -5.9112 -5.9112 -5.2470 -5.2470 -3.9548 -3.9531 -3.9502 -3.9484 -3.9134 -3.9109 -3.9087 -3.9061 -1.5874 -1.5873 0.5326 0.5331 1.9757 1.9863 2.2118 2.2207 2.3162 2.3232 2.3781 2.3928 2.4378 2.4438 2.6969 2.7117 3.5375 3.5392 4.1821 4.1857 4.5031 4.5074 4.5130 4.5193 4.7022 4.7089 4.7110 4.7116 4.9910 4.9941 5.2147 5.2174 5.4499 5.4515 6.2907 6.2925 6.6800 6.6826 6.7207 6.7233 6.7347 6.7372 6.8946 6.8946 6.9629 6.9635 7.0347 7.0374 7.0909 7.0953 7.9336 7.9413 7.9611 7.9682 8.6060 8.6083 8.8763 8.8786 k = 0.3913 0.1847 0.1225 ( 10673 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8027 -36.8027 -35.8050 -35.8050 -35.8017 -35.8017 -35.7433 -35.7433 -35.7385 -35.7385 -5.9230 -5.9230 -5.2299 -5.2299 -3.9555 -3.9539 -3.9501 -3.9483 -3.9133 -3.9107 -3.9077 -3.9051 -1.5904 -1.5903 0.5285 0.5291 1.9666 1.9791 2.2026 2.2133 2.3074 2.3165 2.3775 2.3950 2.4010 2.4091 2.6960 2.7134 3.5297 3.5313 4.2302 4.2345 4.4958 4.5001 4.5012 4.5067 4.7263 4.7360 4.7370 4.7403 5.0164 5.0200 5.2159 5.2191 5.4501 5.4519 6.2955 6.2978 6.6801 6.6832 6.7196 6.7228 6.7324 6.7355 6.8947 6.8947 6.9614 6.9620 7.0359 7.0391 7.0914 7.0967 7.9459 7.9555 7.9737 7.9825 8.6071 8.6100 8.8745 8.8773 k = 0.3696 0.1744 0.1157 ( 10670 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7433 -35.7433 -35.7385 -35.7385 -5.9364 -5.9364 -5.2103 -5.2103 -3.9563 -3.9546 -3.9501 -3.9483 -3.9129 -3.9104 -3.9066 -3.9039 -1.5940 -1.5939 0.5237 0.5244 1.9567 1.9706 2.1921 2.2043 2.2875 2.2968 2.3726 2.3767 2.3808 2.3963 2.6948 2.7143 3.5219 3.5232 4.2790 4.2840 4.4909 4.4932 4.4977 4.4995 4.7514 4.7622 4.7641 4.7681 5.0481 5.0520 5.2183 5.2219 5.4505 5.4525 6.3014 6.3042 6.6803 6.6839 6.7186 6.7224 6.7299 6.7336 6.8947 6.8947 6.9595 6.9601 7.0372 7.0410 7.0919 7.0979 7.9604 7.9719 7.9883 7.9989 8.6090 8.6127 8.8729 8.8764 k = 0.3478 0.1642 0.1089 ( 10676 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8064 -36.8064 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7433 -35.7433 -35.7385 -35.7385 -5.9508 -5.9507 -5.1888 -5.1888 -3.9569 -3.9553 -3.9502 -3.9485 -3.9124 -3.9098 -3.9055 -3.9028 -1.5982 -1.5981 0.5184 0.5192 1.9463 1.9613 2.1802 2.1936 2.2516 2.2579 2.3611 2.3663 2.3752 2.3965 2.6928 2.7139 3.5138 3.5147 4.3247 4.3306 4.4859 4.4925 4.4967 4.5038 4.7771 4.7870 4.7916 4.7947 5.0854 5.0895 5.2233 5.2272 5.4511 5.4532 6.3084 6.3115 6.6804 6.6844 6.7178 6.7221 6.7272 6.7316 6.8947 6.8948 6.9571 6.9578 7.0387 7.0429 7.0923 7.0989 7.9766 7.9900 8.0046 8.0167 8.6119 8.6163 8.8718 8.8759 k = 0.3261 0.1539 0.1021 ( 10670 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8064 -36.8064 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7433 -35.7433 -35.7385 -35.7385 -5.9658 -5.9658 -5.1658 -5.1658 -3.9576 -3.9559 -3.9505 -3.9487 -3.9117 -3.9091 -3.9044 -3.9017 -1.6030 -1.6028 0.5128 0.5137 1.9358 1.9516 2.1652 2.1786 2.2068 2.2114 2.3598 2.3623 2.3730 2.3954 2.6898 2.7120 3.5052 3.5057 4.3645 4.3711 4.4849 4.4913 4.5077 4.5152 4.8024 4.8100 4.8188 4.8194 5.1260 5.1301 5.2338 5.2377 5.4522 5.4543 6.3164 6.3200 6.6806 6.6848 6.7173 6.7219 6.7246 6.7295 6.8947 6.8948 6.9544 6.9549 7.0401 7.0447 7.0924 7.0995 7.9943 8.0094 8.0221 8.0356 8.6157 8.6210 8.8714 8.8762 k = 0.3043 0.1436 0.0953 ( 10664 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8064 -36.8064 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7433 -35.7433 -35.7385 -35.7385 -5.9811 -5.9811 -5.1420 -5.1420 -3.9581 -3.9565 -3.9509 -3.9491 -3.9108 -3.9082 -3.9034 -3.9006 -1.6082 -1.6080 0.5070 0.5078 1.9254 1.9417 2.1348 2.1416 2.1722 2.1823 2.3628 2.3638 2.3698 2.3930 2.6855 2.7083 3.4958 3.4959 4.3968 4.4038 4.4881 4.4941 4.5266 4.5340 4.8266 4.8307 4.8419 4.8447 5.1627 5.1661 5.2576 5.2608 5.4536 5.4557 6.3256 6.3295 6.6808 6.6851 6.7172 6.7219 6.7221 6.7276 6.8946 6.8948 6.9511 6.9515 7.0415 7.0463 7.0921 7.0996 8.0128 8.0295 8.0402 8.0549 8.6205 8.6268 8.8719 8.8774 k = 0.2826 0.1334 0.0885 ( 10661 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7433 -35.7433 -35.7385 -35.7385 -5.9963 -5.9963 -5.1177 -5.1176 -3.9586 -3.9570 -3.9513 -3.9496 -3.9099 -3.9073 -3.9024 -3.8996 -1.6138 -1.6137 0.5010 0.5019 1.9155 1.9319 2.0847 2.0880 2.1559 2.1688 2.3657 2.3682 2.3683 2.3890 2.6798 2.7028 3.4849 3.4852 4.4227 4.4300 4.4953 4.5007 4.5520 4.5589 4.8485 4.8489 4.8618 4.8684 5.1868 5.1888 5.3029 5.3045 5.4556 5.4574 6.3360 6.3402 6.6810 6.6853 6.7173 6.7197 6.7221 6.7257 6.8945 6.8947 6.9471 6.9473 7.0426 7.0476 7.0914 7.0991 8.0317 8.0498 8.0584 8.0741 8.6260 8.6333 8.8731 8.8793 k = 0.2609 0.1231 0.0817 ( 10676 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8064 -36.8064 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7433 -35.7433 -35.7385 -35.7385 -6.0112 -6.0112 -5.0933 -5.0933 -3.9591 -3.9574 -3.9518 -3.9501 -3.9089 -3.9062 -3.9014 -3.8986 -1.6198 -1.6196 0.4952 0.4961 1.9060 1.9223 2.0305 2.0326 2.1443 2.1578 2.3605 2.3748 2.3756 2.3837 2.6729 2.6956 3.4726 3.4732 4.4449 4.4525 4.5063 4.5112 4.5808 4.5871 4.8641 4.8676 4.8788 4.8890 5.2003 5.2016 5.3650 5.3656 5.4580 5.4596 6.3477 6.3521 6.6813 6.6854 6.7176 6.7179 6.7225 6.7241 6.8942 6.8946 6.9423 6.9424 7.0435 7.0486 7.0900 7.0978 8.0506 8.0698 8.0765 8.0929 8.6317 8.6400 8.8748 8.8817 k = 0.2391 0.1129 0.0749 ( 10670 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8064 -36.8064 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7433 -35.7433 -35.7385 -35.7385 -6.0255 -6.0255 -5.0694 -5.0694 -3.9594 -3.9578 -3.9524 -3.9506 -3.9078 -3.9051 -3.9005 -3.8977 -1.6260 -1.6258 0.4896 0.4905 1.8974 1.9133 1.9769 1.9783 2.1343 2.1479 2.3545 2.3772 2.3829 2.3841 2.6648 2.6869 3.4591 3.4600 4.4658 4.4740 4.5207 4.5252 4.6105 4.6163 4.8763 4.8833 4.8925 4.9062 5.2095 5.2107 5.4359 5.4360 5.4608 5.4622 6.3609 6.3654 6.6817 6.6855 6.7159 6.7186 6.7227 6.7231 6.8938 6.8943 6.9363 6.9367 7.0440 7.0492 7.0880 7.0957 8.0691 8.0891 8.0943 8.1111 8.6372 8.6463 8.8768 8.8842 k = 0.2174 0.1026 0.0681 ( 10652 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7433 -35.7433 -35.7385 -35.7385 -6.0391 -6.0391 -5.0462 -5.0462 -3.9597 -3.9581 -3.9530 -3.9512 -3.9067 -3.9040 -3.8998 -3.8969 -1.6323 -1.6321 0.4843 0.4852 1.8895 1.9049 1.9254 1.9264 2.1256 2.1388 2.3478 2.3696 2.3922 2.3938 2.6558 2.6769 3.4444 3.4455 4.4868 4.4959 4.5381 4.5426 4.6395 4.6451 4.8852 4.8956 4.9029 4.9196 5.2171 5.2185 5.4640 5.4652 5.5107 5.5107 6.3759 6.3805 6.6822 6.6857 6.7146 6.7197 6.7217 6.7238 6.8932 6.8939 6.9291 6.9300 7.0439 7.0491 7.0854 7.0930 8.0870 8.1074 8.1115 8.1284 8.6414 8.6513 8.8784 8.8863 k = 0.1957 0.0923 0.0613 ( 10658 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8064 -36.8064 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7433 -35.7433 -35.7385 -35.7385 -6.0518 -6.0518 -5.0241 -5.0240 -3.9599 -3.9583 -3.9536 -3.9518 -3.9056 -3.9029 -3.8991 -3.8962 -1.6385 -1.6384 0.4794 0.4802 1.8767 1.8774 1.8826 1.8972 2.1179 2.1305 2.3406 2.3612 2.4024 2.4042 2.6461 2.6660 3.4288 3.4301 4.5084 4.5187 4.5580 4.5629 4.6670 4.6728 4.8908 4.9047 4.9097 4.9294 5.2242 5.2258 5.4676 5.4685 5.5862 5.5863 6.3931 6.3977 6.6829 6.6861 6.7137 6.7208 6.7210 6.7246 6.8920 6.8932 6.9207 6.9224 7.0432 7.0484 7.0821 7.0894 8.1040 8.1244 8.1283 8.1449 8.6438 8.6540 8.8792 8.8872 k = 0.1739 0.0821 0.0545 ( 10655 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7433 -35.7433 -35.7385 -35.7385 -6.0635 -6.0635 -5.0033 -5.0033 -3.9600 -3.9584 -3.9542 -3.9524 -3.9045 -3.9017 -3.8985 -3.8956 -1.6447 -1.6445 0.4750 0.4758 1.8316 1.8322 1.8766 1.8902 2.1113 2.1231 2.3332 2.3524 2.4133 2.4151 2.6361 2.6546 3.4127 3.4140 4.5307 4.5422 4.5798 4.5857 4.6926 4.6986 4.8931 4.9110 4.9129 4.9359 5.2310 5.2329 5.4713 5.4720 5.6597 5.6599 6.4129 6.4173 6.6838 6.6866 6.7132 6.7206 6.7220 6.7254 6.8898 6.8914 6.9116 6.9141 7.0419 7.0469 7.0784 7.0852 8.1201 8.1399 8.1446 8.1607 8.6436 8.6537 8.8785 8.8865 k = 0.1522 0.0718 0.0477 ( 10643 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8026 -36.8026 -35.8051 -35.8051 -35.8018 -35.8018 -35.7433 -35.7433 -35.7385 -35.7385 -6.0740 -6.0740 -4.9843 -4.9843 -3.9601 -3.9584 -3.9548 -3.9531 -3.9034 -3.9006 -3.8980 -3.8951 -1.6505 -1.6504 0.4712 0.4719 1.7907 1.7911 1.8716 1.8841 2.1057 2.1166 2.3260 2.3434 2.4243 2.4261 2.6262 2.6430 3.3965 3.3979 4.5535 4.5662 4.6032 4.6102 4.7157 4.7222 4.8922 4.9126 4.9151 4.9394 5.2374 5.2395 5.4750 5.4756 5.7289 5.7292 6.4357 6.4399 6.6849 6.6873 6.7131 6.7205 6.7231 6.7262 6.8847 6.8865 6.9036 6.9066 7.0398 7.0446 7.0742 7.0806 8.1351 8.1539 8.1606 8.1758 8.6405 8.6501 8.8762 8.8837 k = 0.1304 0.0616 0.0408 ( 10649 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7433 -35.7433 -35.7385 -35.7385 -6.0833 -6.0833 -4.9672 -4.9672 -3.9601 -3.9584 -3.9554 -3.9537 -3.9024 -3.8996 -3.8976 -3.8947 -1.6560 -1.6558 0.4679 0.4686 1.7543 1.7546 1.8676 1.8787 2.1012 2.1110 2.3191 2.3345 2.4352 2.4370 2.6167 2.6316 3.3808 3.3821 4.5762 4.5900 4.6276 4.6359 4.7360 4.7430 4.8883 4.9089 4.9174 4.9404 5.2434 5.2455 5.4787 5.4791 5.7915 5.7920 6.4618 6.4658 6.6861 6.6881 6.7132 6.7207 6.7243 6.7269 6.8747 6.8753 6.8994 6.9018 7.0371 7.0416 7.0699 7.0757 8.1488 8.1662 8.1762 8.1902 8.6346 8.6432 8.8723 8.8789 k = 0.1087 0.0513 0.0340 ( 10634 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8026 -36.8026 -35.8051 -35.8051 -35.8018 -35.8018 -35.7432 -35.7432 -35.7385 -35.7385 -6.0913 -6.0913 -4.9524 -4.9524 -3.9600 -3.9583 -3.9560 -3.9543 -3.9015 -3.8986 -3.8974 -3.8945 -1.6608 -1.6607 0.4653 0.4658 1.7229 1.7231 1.8644 1.8740 2.0977 2.1061 2.3129 2.3262 2.4457 2.4473 2.6081 2.6209 3.3662 3.3674 4.5984 4.6126 4.6524 4.6620 4.7530 4.7607 4.8816 4.9021 4.9187 4.9396 5.2488 5.2508 5.4820 5.4824 5.8460 5.8465 6.4914 6.4950 6.6874 6.6891 6.7136 6.7210 6.7254 6.7276 6.8591 6.8598 6.8978 6.8994 7.0340 7.0381 7.0658 7.0708 8.1613 8.1768 8.1913 8.2038 8.6263 8.6337 8.8670 8.8726 k = 0.0870 0.0410 0.0272 ( 10646 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7433 -35.7433 -35.7385 -35.7385 -6.0979 -6.0979 -4.9399 -4.9399 -3.9598 -3.9581 -3.9566 -3.9548 -3.9006 -3.8977 -3.8973 -3.8943 -1.6650 -1.6649 0.4632 0.4636 1.6967 1.6969 1.8622 1.8701 2.0952 2.1021 2.3077 2.3186 2.4551 2.4566 2.6007 2.6112 3.3532 3.3542 4.6192 4.6332 4.6770 4.6876 4.7665 4.7746 4.8727 4.8925 4.9196 4.9373 5.2534 5.2551 5.4850 5.4854 5.8910 5.8916 6.5238 6.5272 6.6886 6.6899 6.7140 6.7214 6.7263 6.7281 6.8394 6.8411 6.8971 6.8982 7.0308 7.0343 7.0619 7.0661 8.1724 8.1854 8.2054 8.2160 8.6168 8.6226 8.8611 8.8656 k = 0.0652 0.0308 0.0204 ( 10637 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8026 -36.8026 -35.8051 -35.8051 -35.8018 -35.8018 -35.7432 -35.7432 -35.7385 -35.7385 -6.1030 -6.1030 -4.9300 -4.9300 -3.9596 -3.9579 -3.9571 -3.9554 -3.8998 -3.8973 -3.8969 -3.8943 -1.6684 -1.6683 0.4616 0.4619 1.6761 1.6762 1.8608 1.8668 2.0935 2.0988 2.3037 2.3120 2.4632 2.4644 2.5947 2.6028 3.3425 3.3433 4.6378 4.6505 4.7005 4.7116 4.7767 4.7846 4.8624 4.8806 4.9204 4.9343 5.2571 5.2586 5.4875 5.4878 5.9260 5.9266 6.5577 6.5609 6.6897 6.6907 6.7143 6.7218 6.7271 6.7285 6.8172 6.8199 6.8967 6.8974 7.0278 7.0306 7.0587 7.0620 8.1817 8.1919 8.2182 8.2266 8.6071 8.6114 8.8553 8.8586 k = 0.0435 0.0205 0.0136 ( 10622 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8026 -36.8026 -35.8050 -35.8050 -35.8017 -35.8017 -35.7432 -35.7432 -35.7385 -35.7385 -6.1068 -6.1068 -4.9228 -4.9228 -3.9593 -3.9576 -3.9576 -3.9559 -3.8991 -3.8974 -3.8962 -3.8945 -1.6709 -1.6708 0.4605 0.4607 1.6612 1.6612 1.8601 1.8642 2.0926 2.0962 2.3011 2.3067 2.4694 2.4703 2.5906 2.5961 3.3344 3.3350 4.6533 4.6632 4.7218 4.7319 4.7840 4.7906 4.8524 4.8674 4.9216 4.9311 5.2599 5.2609 5.4893 5.4896 5.9508 5.9513 6.5906 6.5935 6.6907 6.6914 6.7144 6.7218 6.7278 6.7287 6.7943 6.7977 6.8965 6.8969 7.0255 7.0274 7.0564 7.0586 8.1892 8.1962 8.2287 8.2345 8.5989 8.6017 8.8506 8.8527 k = 0.0217 0.0103 0.0068 ( 10631 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8026 -36.8026 -35.8050 -35.8050 -35.8017 -35.8017 -35.7432 -35.7432 -35.7385 -35.7385 -6.1090 -6.1090 -4.9185 -4.9185 -3.9589 -3.9581 -3.9572 -3.9564 -3.8985 -3.8976 -3.8956 -3.8947 -1.6724 -1.6724 0.4599 0.4600 1.6522 1.6522 1.8602 1.8623 2.0925 2.0943 2.3001 2.3029 2.4734 2.4739 2.5886 2.5914 3.3295 3.3298 4.6646 4.6700 4.7387 4.7454 4.7890 4.7928 4.8457 4.8548 4.9233 4.9281 5.2617 5.2623 5.4905 5.4906 5.9656 5.9658 6.6174 6.6196 6.6913 6.6917 6.7148 6.7205 6.7283 6.7287 6.7752 6.7782 6.8964 6.8966 7.0241 7.0251 7.0551 7.0563 8.1946 8.1981 8.2361 8.2391 8.5935 8.5949 8.8476 8.8486 k = 0.0000 0.0000 0.0000 ( 10625 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8026 -36.8026 -35.8050 -35.8050 -35.8017 -35.8017 -35.7432 -35.7432 -35.7385 -35.7385 -6.1098 -6.1098 -4.9171 -4.9171 -3.9586 -3.9586 -3.9568 -3.9568 -3.8980 -3.8980 -3.8951 -3.8951 -1.6729 -1.6729 0.4597 0.4597 1.6492 1.6492 1.8609 1.8609 2.0930 2.0930 2.3007 2.3007 2.4750 2.4750 2.5888 2.5888 3.3279 3.3279 4.6704 4.6704 4.7479 4.7479 4.7921 4.7921 4.8463 4.8463 4.9254 4.9254 5.2625 5.2625 5.4909 5.4909 5.9706 5.9706 6.6296 6.6296 6.6917 6.6917 6.7171 6.7171 6.7286 6.7286 6.7686 6.7686 6.8965 6.8965 7.0240 7.0240 7.0551 7.0551 8.1976 8.1976 8.2397 8.2397 8.5920 8.5920 8.8469 8.8469 k = 0.0000 0.0000 0.0000 ( 10625 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8026 -36.8026 -35.8050 -35.8050 -35.8017 -35.8017 -35.7432 -35.7432 -35.7385 -35.7385 -6.1098 -6.1098 -4.9171 -4.9171 -3.9586 -3.9586 -3.9568 -3.9568 -3.8980 -3.8980 -3.8951 -3.8951 -1.6729 -1.6729 0.4597 0.4597 1.6492 1.6492 1.8609 1.8609 2.0930 2.0930 2.3007 2.3007 2.4750 2.4750 2.5888 2.5888 3.3279 3.3279 4.6704 4.6704 4.7479 4.7479 4.7921 4.7921 4.8463 4.8463 4.9254 4.9254 5.2625 5.2625 5.4909 5.4909 5.9706 5.9706 6.6296 6.6296 6.6917 6.6917 6.7171 6.7171 6.7286 6.7286 6.7686 6.7686 6.8965 6.8965 7.0240 7.0240 7.0551 7.0551 8.1976 8.1976 8.2397 8.2397 8.5920 8.5920 8.8469 8.8469 k = 0.0106-0.0087-0.0207 ( 10629 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8026 -36.8026 -35.8050 -35.8050 -35.8017 -35.8017 -35.7433 -35.7433 -35.7385 -35.7385 -6.1086 -6.1086 -4.9162 -4.9162 -3.9607 -3.9606 -3.9586 -3.9585 -3.8985 -3.8984 -3.8956 -3.8956 -1.6713 -1.6713 0.4590 0.4591 1.6490 1.6492 1.8629 1.8629 2.0938 2.0949 2.2910 2.2913 2.4742 2.4800 2.6022 2.6081 3.3309 3.3318 4.6558 4.6646 4.7483 4.7494 4.7819 4.7977 4.8474 4.8483 4.9285 4.9356 5.2596 5.2602 5.4876 5.4876 5.9653 5.9674 6.6157 6.6328 6.6856 6.6868 6.6987 6.7000 6.7431 6.7445 6.7660 6.7767 6.8970 6.8973 7.0234 7.0251 7.0550 7.0551 8.1981 8.1981 8.2400 8.2412 8.5861 8.5883 8.8301 8.8302 k = 0.0212-0.0174-0.0413 ( 10631 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8026 -36.8026 -35.8050 -35.8050 -35.8017 -35.8017 -35.7432 -35.7432 -35.7385 -35.7385 -6.1053 -6.1053 -4.9138 -4.9138 -3.9680 -3.9677 -3.9628 -3.9625 -3.9000 -3.8997 -3.8972 -3.8969 -1.6664 -1.6663 0.4572 0.4573 1.6489 1.6493 1.8682 1.8685 2.0970 2.0996 2.2658 2.2678 2.4826 2.4900 2.6430 2.6513 3.3407 3.3424 4.6271 4.6396 4.7469 4.7525 4.7719 4.7968 4.8488 4.8526 4.9446 4.9556 5.2514 5.2528 5.4776 5.4777 5.9516 5.9555 6.5902 6.6189 6.6629 6.6669 6.6870 6.6906 6.7526 6.7606 6.7733 6.7852 6.8991 6.8995 7.0233 7.0268 7.0550 7.0554 8.1995 8.1997 8.2421 8.2444 8.5700 8.5741 8.7949 8.7955 k = 0.0318-0.0262-0.0620 ( 10627 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8026 -36.8026 -35.8050 -35.8050 -35.8017 -35.8017 -35.7432 -35.7432 -35.7385 -35.7385 -6.0998 -6.0997 -4.9098 -4.9098 -3.9800 -3.9796 -3.9692 -3.9688 -3.9029 -3.9019 -3.9001 -3.8992 -1.6583 -1.6582 0.4542 0.4544 1.6493 1.6498 1.8755 1.8764 2.1021 2.1075 2.2341 2.2393 2.5017 2.5086 2.6997 2.7087 3.3570 3.3596 4.5900 4.6030 4.7419 4.7530 4.7630 4.7924 4.8493 4.8564 4.9697 4.9815 5.2385 5.2405 5.4618 5.4621 5.9289 5.9342 6.5507 6.5799 6.6388 6.6489 6.6807 6.6851 6.7567 6.7720 6.7843 6.7925 6.9024 6.9030 7.0234 7.0286 7.0555 7.0564 8.2014 8.2021 8.2457 8.2491 8.5430 8.5488 8.7603 8.7613 k = 0.0424-0.0349-0.0827 ( 10627 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8026 -36.8026 -35.8050 -35.8050 -35.8017 -35.8017 -35.7432 -35.7432 -35.7385 -35.7385 -6.0920 -6.0920 -4.9042 -4.9042 -3.9962 -3.9957 -3.9780 -3.9775 -3.9071 -3.9052 -3.9043 -3.9027 -1.6471 -1.6470 0.4504 0.4506 1.6508 1.6514 1.8827 1.8848 2.1065 2.1175 2.2045 2.2150 2.5303 2.5364 2.7657 2.7748 3.3795 3.3830 4.5478 4.5601 4.7337 4.7475 4.7558 4.7858 4.8489 4.8588 4.9983 5.0095 5.2214 5.2242 5.4411 5.4419 5.8967 5.9028 6.4991 6.5249 6.6177 6.6323 6.6767 6.6802 6.7585 6.7769 6.7943 6.7997 6.9069 6.9077 7.0236 7.0300 7.0571 7.0585 8.2032 8.2047 8.2503 8.2547 8.5072 8.5142 8.7337 8.7348 k = 0.0530-0.0436-0.1034 ( 10645 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7432 -35.7432 -35.7385 -35.7385 -6.0820 -6.0820 -4.8971 -4.8970 -4.0162 -4.0156 -3.9890 -3.9885 -3.9126 -3.9105 -3.9092 -3.9073 -1.6331 -1.6330 0.4459 0.4462 1.6540 1.6545 1.8880 1.8918 2.1041 2.1218 2.1898 2.2060 2.5673 2.5729 2.8379 2.8471 3.4077 3.4121 4.5022 4.5136 4.7229 4.7368 4.7478 4.7764 4.8477 4.8597 5.0266 5.0369 5.2014 5.2050 5.4168 5.4183 5.8545 5.8605 6.4400 6.4623 6.5989 6.6146 6.6732 6.6759 6.7576 6.7751 6.8030 6.8068 6.9123 6.9131 7.0238 7.0308 7.0602 7.0617 8.2036 8.2067 8.2548 8.2603 8.4678 8.4758 8.7147 8.7160 k = 0.0635-0.0523-0.1240 ( 10641 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7432 -35.7432 -35.7386 -35.7386 -6.0699 -6.0699 -4.8884 -4.8883 -4.0395 -4.0390 -4.0023 -4.0018 -3.9197 -3.9178 -3.9148 -3.9131 -1.6163 -1.6162 0.4410 0.4413 1.6592 1.6598 1.8897 1.8954 2.0916 2.1100 2.2033 2.2186 2.6116 2.6172 2.9145 2.9239 3.4411 3.4464 4.4545 4.4650 4.7095 4.7233 4.7353 4.7625 4.8461 4.8593 5.0515 5.0610 5.1805 5.1849 5.3905 5.3929 5.8021 5.8074 6.3776 6.3964 6.5813 6.5963 6.6688 6.6722 6.7537 6.7687 6.8103 6.8133 6.9184 6.9193 7.0241 7.0311 7.0645 7.0657 8.2009 8.2061 8.2583 8.2645 8.4316 8.4406 8.7012 8.7028 k = 0.0741-0.0610-0.1447 ( 10645 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7432 -35.7432 -35.7386 -35.7386 -6.0556 -6.0556 -4.8782 -4.8781 -4.0659 -4.0654 -4.0177 -4.0172 -3.9282 -3.9266 -3.9214 -3.9200 -1.5971 -1.5969 0.4361 0.4364 1.6669 1.6675 1.8871 1.8947 2.0756 2.0925 2.2360 2.2481 2.6628 2.6686 2.9945 3.0042 3.4790 3.4853 4.4054 4.4153 4.6931 4.7072 4.7165 4.7425 4.8442 4.8577 5.0699 5.0792 5.1612 5.1667 5.3634 5.3668 5.7406 5.7447 6.3150 6.3303 6.5645 6.5776 6.6634 6.6685 6.7467 6.7586 6.8161 6.8186 6.9249 6.9259 7.0245 7.0311 7.0695 7.0702 8.1924 8.1999 8.2603 8.2664 8.4044 8.4141 8.6914 8.6936 k = 0.0847-0.0698-0.1654 ( 10647 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7431 -35.7431 -35.7386 -35.7386 -6.0392 -6.0392 -4.8665 -4.8665 -4.0951 -4.0946 -4.0352 -4.0346 -3.9381 -3.9369 -3.9290 -3.9280 -1.5756 -1.5754 0.4313 0.4317 1.6772 1.6778 1.8804 1.8892 2.0624 2.0778 2.2794 2.2888 2.7201 2.7264 3.0772 3.0873 3.5206 3.5280 4.3557 4.3649 4.6712 4.6856 4.6933 4.7156 4.8423 4.8553 5.0782 5.0887 5.1459 5.1528 5.3368 5.3410 5.6728 5.6756 6.2541 6.2660 6.5480 6.5586 6.6575 6.6640 6.7369 6.7455 6.8207 6.8229 6.9317 6.9328 7.0252 7.0311 7.0743 7.0748 8.1761 8.1854 8.2620 8.2670 8.3888 8.3984 8.6847 8.6874 k = 0.0953-0.0785-0.1861 ( 10639 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7431 -35.7431 -35.7386 -35.7386 -6.0207 -6.0206 -4.8535 -4.8534 -4.1267 -4.1262 -4.0545 -4.0540 -3.9495 -3.9485 -3.9377 -3.9369 -1.5521 -1.5519 0.4271 0.4275 1.6903 1.6909 1.8704 1.8797 2.0545 2.0683 2.3302 2.3378 2.7830 2.7898 3.1619 3.1726 3.5650 3.5736 4.3058 4.3145 4.6378 4.6525 4.6712 4.6859 4.8408 4.8526 5.0752 5.0886 5.1341 5.1422 5.3102 5.3147 5.6045 5.6064 6.1956 6.2047 6.5312 6.5392 6.6510 6.6588 6.7242 6.7298 6.8242 6.8261 6.9385 6.9397 7.0261 7.0313 7.0785 7.0795 8.1534 8.1635 8.2646 8.2680 8.3825 8.3913 8.6807 8.6839 k = 0.1059-0.0872-0.2067 ( 10639 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7431 -35.7431 -35.7387 -35.7387 -6.0001 -6.0001 -4.8391 -4.8390 -4.1604 -4.1599 -4.0756 -4.0751 -3.9621 -3.9613 -3.9474 -3.9467 -1.5269 -1.5267 0.4236 0.4240 1.7060 1.7067 1.8587 1.8679 2.0519 2.0642 2.3870 2.3931 2.8508 2.8582 3.2478 3.2594 3.6113 3.6212 4.2564 4.2646 4.5902 4.6060 4.6485 4.6592 4.8399 4.8504 5.0627 5.0795 5.1205 5.1306 5.2813 5.2856 5.5446 5.5465 6.1399 6.1468 6.5135 6.5189 6.6439 6.6526 6.7089 6.7118 6.8265 6.8281 6.9453 6.9467 7.0273 7.0320 7.0819 7.0835 8.1279 8.1380 8.2681 8.2700 8.3809 8.3887 8.6792 8.6829 k = 0.1165-0.0959-0.2274 ( 10642 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7430 -35.7430 -35.7387 -35.7387 -5.9775 -5.9775 -4.8234 -4.8233 -4.1959 -4.1955 -4.0983 -4.0978 -3.9758 -3.9752 -3.9580 -3.9574 -1.5001 -1.4999 0.4210 0.4215 1.7244 1.7253 1.8468 1.8555 2.0541 2.0647 2.4483 2.4534 2.9227 2.9308 3.3342 3.3469 3.6581 3.6696 4.2082 4.2159 4.5319 4.5476 4.6245 4.6340 4.8395 4.8490 5.0371 5.0555 5.1048 5.1173 5.2476 5.2521 5.5025 5.5055 6.0868 6.0920 6.4943 6.4979 6.6360 6.6457 6.6906 6.6922 6.8277 6.8292 6.9520 6.9536 7.0288 7.0330 7.0846 7.0867 8.1031 8.1128 8.2716 8.2730 8.3805 8.3874 8.6801 8.6842 k = 0.1271-0.1046-0.2481 ( 10642 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7430 -35.7430 -35.7387 -35.7387 -5.9530 -5.9530 -4.8066 -4.8065 -4.2329 -4.2325 -4.1224 -4.1220 -3.9906 -3.9900 -3.9694 -3.9689 -1.4721 -1.4719 0.4197 0.4201 1.7452 1.7464 1.8361 1.8443 2.0603 2.0694 2.5131 2.5174 2.9982 3.0070 3.4202 3.4344 3.7037 3.7171 4.1621 4.1692 4.4664 4.4817 4.5987 4.6077 4.8392 4.8482 4.9905 5.0049 5.0939 5.1038 5.2139 5.2198 5.4814 5.4857 6.0361 6.0403 6.4727 6.4763 6.6270 6.6380 6.6695 6.6717 6.8279 6.8293 6.9586 6.9603 7.0304 7.0345 7.0864 7.0891 8.0810 8.0902 8.2747 8.2768 8.3791 8.3852 8.6830 8.6875 k = 0.1377-0.1134-0.2688 ( 10646 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7430 -35.7430 -35.7388 -35.7388 -5.9266 -5.9265 -4.7886 -4.7886 -4.2710 -4.2706 -4.1478 -4.1474 -4.0062 -4.0058 -3.9817 -3.9812 -1.4430 -1.4428 0.4196 0.4201 1.7673 1.7693 1.8285 1.8361 2.0700 2.0778 2.5799 2.5836 3.0762 3.0860 3.5045 3.5206 3.7460 3.7615 4.1196 4.1260 4.3971 4.4122 4.5704 4.5791 4.8368 4.8466 4.9222 4.9333 5.0838 5.0890 5.1897 5.1977 5.4757 5.4810 5.9880 5.9915 6.4486 6.4537 6.6160 6.6292 6.6476 6.6499 6.8268 6.8283 6.9649 6.9668 7.0323 7.0364 7.0874 7.0906 8.0627 8.0713 8.2776 8.2808 8.3760 8.3815 8.6872 8.6921 k = 0.1483-0.1221-0.2894 ( 10658 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7429 -35.7429 -35.7388 -35.7388 -5.8984 -5.8983 -4.7698 -4.7697 -4.3100 -4.3095 -4.1743 -4.1739 -4.0226 -4.0222 -3.9946 -3.9942 -1.4132 -1.4129 0.4209 0.4214 1.7876 1.7913 1.8276 1.8343 2.0828 2.0895 2.6474 2.6507 3.1559 3.1668 3.5852 3.6038 3.7815 3.7994 4.0829 4.0885 4.3280 4.3438 4.5387 4.5473 4.8104 4.8230 4.8639 4.8701 5.0693 5.0717 5.1790 5.1886 5.4782 5.4843 5.9427 5.9457 6.4226 6.4296 6.5998 6.6161 6.6287 6.6299 6.8245 6.8262 6.9709 6.9730 7.0344 7.0387 7.0877 7.0913 8.0485 8.0565 8.2803 8.2845 8.3711 8.3759 8.6921 8.6974 k = 0.1589-0.1308-0.3101 ( 10646 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7429 -35.7429 -35.7389 -35.7389 -5.8684 -5.8683 -4.7502 -4.7501 -4.3494 -4.3490 -4.2018 -4.2014 -4.0394 -4.0391 -4.0083 -4.0079 -1.3827 -1.3824 0.4237 0.4242 1.7984 1.8039 1.8424 1.8470 2.0986 2.1043 2.7135 2.7164 3.2363 3.2484 3.6588 3.6810 3.8067 3.8265 4.0539 4.0598 4.2650 4.2833 4.5020 4.5100 4.7296 4.7434 4.8560 4.8604 5.0498 5.0533 5.1791 5.1896 5.4840 5.4907 5.9003 5.9031 6.3952 6.4037 6.5763 6.5928 6.6155 6.6179 6.8208 6.8228 6.9765 6.9789 7.0367 7.0413 7.0875 7.0915 8.0384 8.0458 8.2826 8.2875 8.3648 8.3690 8.6969 8.7027 k = 0.1694-0.1395-0.3308 ( 10662 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7429 -35.7429 -35.7389 -35.7389 -5.8368 -5.8367 -4.7299 -4.7298 -4.3891 -4.3887 -4.2299 -4.2296 -4.0567 -4.0564 -4.0225 -4.0221 -1.3519 -1.3516 0.4280 0.4285 1.8019 1.8077 1.8707 1.8736 2.1173 2.1222 2.7756 2.7783 3.3158 3.3295 3.7175 3.7445 3.8221 3.8419 4.0314 4.0412 4.2164 4.2402 4.4565 4.4631 4.6457 4.6612 4.8561 4.8618 5.0292 5.0343 5.1861 5.1967 5.4900 5.4972 5.8614 5.8642 6.3664 6.3763 6.5482 6.5645 6.6056 6.6091 6.8156 6.8179 6.9817 6.9844 7.0391 7.0442 7.0869 7.0913 8.0322 8.0389 8.2835 8.2892 8.3585 8.3622 8.7011 8.7073 k = 0.1800-0.1482-0.3515 ( 10668 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7428 -35.7428 -35.7390 -35.7390 -5.8037 -5.8036 -4.7093 -4.7092 -4.4286 -4.4283 -4.2586 -4.2583 -4.0740 -4.0737 -4.0372 -4.0369 -1.3209 -1.3206 0.4337 0.4343 1.8054 1.8112 1.9046 1.9068 2.1386 2.1428 2.8304 2.8326 3.3928 3.4082 3.7471 3.7761 3.8399 3.8552 4.0135 4.0292 4.1925 4.2224 4.3989 4.4026 4.5783 4.5940 4.8573 4.8641 5.0099 5.0163 5.1969 5.2076 5.4942 5.5021 5.8264 5.8297 6.3368 6.3476 6.5177 6.5342 6.5970 6.6010 6.8088 6.8114 6.9864 6.9894 7.0416 7.0471 7.0862 7.0911 8.0295 8.0356 8.2817 8.2882 8.3540 8.3578 8.7041 8.7107 k = 0.1906-0.1570-0.3721 ( 10668 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7428 -35.7428 -35.7390 -35.7390 -5.7692 -5.7691 -4.6887 -4.6886 -4.4678 -4.4674 -4.2876 -4.2872 -4.0913 -4.0910 -4.0524 -4.0521 -1.2900 -1.2897 0.4408 0.4415 1.8113 1.8168 1.9418 1.9435 2.1627 2.1663 2.8733 2.8751 3.4645 3.4818 3.7487 3.7732 3.8548 3.8628 4.0082 4.0273 4.1919 4.2221 4.3334 4.3404 4.5315 4.5463 4.8577 4.8657 4.9933 5.0007 5.2097 5.2203 5.4958 5.5042 5.7955 5.8000 6.3065 6.3178 6.4864 6.5029 6.5892 6.5933 6.8003 6.8032 6.9906 6.9940 7.0441 7.0501 7.0857 7.0911 8.0295 8.0351 8.2758 8.2831 8.3533 8.3581 8.7055 8.7126 k = 0.2012-0.1657-0.3928 ( 10650 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7427 -35.7427 -35.7391 -35.7390 -5.7335 -5.7334 -4.6683 -4.6682 -4.5062 -4.5058 -4.3166 -4.3162 -4.1082 -4.1079 -4.0679 -4.0676 -1.2594 -1.2590 0.4493 0.4500 1.8202 1.8255 1.9815 1.9831 2.1894 2.1926 2.8991 2.9008 3.5268 3.5462 3.7424 3.7608 3.8432 3.8561 4.0156 4.0354 4.1913 4.2079 4.2899 4.3153 4.5007 4.5148 4.8565 4.8655 4.9805 4.9885 5.2231 5.2336 5.4943 5.5035 5.7691 5.7754 6.2758 6.2871 6.4552 6.4713 6.5818 6.5859 6.7900 6.7931 6.9944 6.9979 7.0467 7.0530 7.0856 7.0914 8.0315 8.0371 8.2662 8.2742 8.3578 8.3634 8.7054 8.7128 k = 0.2118-0.1744-0.4135 ( 10664 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7427 -35.7427 -35.7391 -35.7391 -5.6968 -5.6967 -4.6488 -4.6487 -4.5434 -4.5431 -4.3453 -4.3450 -4.1243 -4.1241 -4.0836 -4.0833 -1.2293 -1.2289 0.4589 0.4596 1.8322 1.8375 2.0235 2.0249 2.2186 2.2214 2.9036 2.9058 3.5734 3.5948 3.7353 3.7511 3.8237 3.8467 4.0065 4.0209 4.1814 4.1900 4.2990 4.3359 4.4816 4.4959 4.8531 4.8628 4.9719 4.9801 5.2361 5.2463 5.4905 5.5004 5.7470 5.7557 6.2448 6.2556 6.4253 6.4406 6.5748 6.5788 6.7777 6.7811 6.9976 7.0013 7.0490 7.0557 7.0861 7.0922 8.0349 8.0408 8.2544 8.2628 8.3669 8.3730 8.7036 8.7114 k = 0.2224-0.1831-0.4342 ( 10670 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7427 -35.7427 -35.7392 -35.7391 -5.6594 -5.6593 -4.6311 -4.6308 -4.5790 -4.5787 -4.3734 -4.3731 -4.1395 -4.1393 -4.0995 -4.0992 -1.1999 -1.1995 0.4696 0.4703 1.8475 1.8527 2.0674 2.0687 2.2504 2.2529 2.8856 2.8888 3.5958 3.6180 3.7251 3.7438 3.8161 3.8419 3.9732 3.9826 4.1925 4.2047 4.3315 4.3701 4.4728 4.4891 4.8478 4.8578 4.9672 4.9750 5.2476 5.2574 5.4854 5.4960 5.7289 5.7405 6.2131 6.2233 6.3977 6.4117 6.5681 6.5719 6.7636 6.7671 7.0004 7.0042 7.0513 7.0580 7.0874 7.0936 8.0387 8.0453 8.2425 8.2513 8.3796 8.3857 8.7005 8.7087 k = 0.2330-0.1918-0.4548 ( 10654 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.6215 -5.6214 -4.6211 -4.6199 -4.6081 -4.6071 -4.4004 -4.4000 -4.1532 -4.1530 -4.1152 -4.1150 -1.1716 -1.1712 0.4811 0.4818 1.8661 1.8712 2.1129 2.1141 2.2844 2.2867 2.8477 2.8520 3.5881 3.6066 3.7140 3.7267 3.8107 3.8328 3.9569 3.9724 4.2192 4.2333 4.3679 4.4050 4.4738 4.4949 4.8412 4.8514 4.9647 4.9719 5.2568 5.2661 5.4799 5.4914 5.7148 5.7294 6.1805 6.1902 6.3736 6.3860 6.5616 6.5653 6.7476 6.7512 7.0029 7.0067 7.0533 7.0600 7.0894 7.0954 8.0422 8.0498 8.2324 8.2413 8.3947 8.4007 8.6965 8.7049 k = 0.2436-0.2006-0.4755 ( 10656 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.5836 -5.5835 -4.6472 -4.6466 -4.6009 -4.6005 -4.4254 -4.4250 -4.1651 -4.1649 -4.1307 -4.1304 -1.1445 -1.1441 0.4931 0.4939 1.8878 1.8929 2.1595 2.1609 2.3206 2.3228 2.7952 2.8004 3.5529 3.5667 3.6810 3.6896 3.8109 3.8284 3.9803 3.9996 4.2507 4.2654 4.4017 4.4357 4.4847 4.5126 4.8348 4.8449 4.9624 4.9689 5.2634 5.2723 5.4745 5.4868 5.7046 5.7225 6.1467 6.1564 6.3538 6.3645 6.5554 6.5588 6.7299 6.7335 7.0050 7.0087 7.0551 7.0615 7.0919 7.0976 8.0446 8.0532 8.2254 8.2343 8.4113 8.4170 8.6916 8.7009 k = 0.2542-0.2093-0.4962 ( 10660 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7425 -35.7393 -35.7392 -5.5460 -5.5459 -4.6760 -4.6755 -4.5938 -4.5935 -4.4474 -4.4470 -4.1752 -4.1749 -4.1453 -4.1450 -1.1189 -1.1185 0.5055 0.5064 1.9127 1.9177 2.2068 2.2083 2.3582 2.3604 2.7339 2.7399 3.4955 3.5066 3.6322 3.6439 3.8216 3.8323 4.0253 4.0429 4.2837 4.2992 4.4308 4.4603 4.5054 4.5381 4.8295 4.8396 4.9587 4.9644 5.2676 5.2761 5.4689 5.4817 5.6992 5.7202 6.1117 6.1220 6.3386 6.3478 6.5493 6.5525 6.7107 6.7142 7.0070 7.0105 7.0567 7.0627 7.0948 7.1000 8.0455 8.0548 8.2227 8.2312 8.4280 8.4332 8.6854 8.6976 k = 0.2648-0.2180-0.5169 ( 10670 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7425 -35.7393 -35.7393 -5.5094 -5.5093 -4.7019 -4.7014 -4.5930 -4.5927 -4.4653 -4.4649 -4.1841 -4.1838 -4.1577 -4.1574 -1.0952 -1.0947 0.5180 0.5188 1.9404 1.9455 2.2540 2.2558 2.3960 2.3984 2.6700 2.6768 3.4228 3.4315 3.5889 3.6012 3.8289 3.8354 4.0769 4.0927 4.3166 4.3342 4.4556 4.4798 4.5327 4.5671 4.8262 4.8363 4.9522 4.9573 5.2695 5.2780 5.4622 5.4752 5.6988 5.7224 6.0761 6.0878 6.3282 6.3361 6.5434 6.5463 6.6903 6.6938 7.0087 7.0121 7.0581 7.0636 7.0978 7.1023 8.0446 8.0542 8.2247 8.2325 8.4431 8.4476 8.6755 8.6956 k = 0.2753-0.2267-0.5375 ( 10668 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7425 -35.7425 -35.7393 -35.7393 -5.4744 -5.4743 -4.7239 -4.7234 -4.5998 -4.5994 -4.4785 -4.4782 -4.1939 -4.1936 -4.1653 -4.1649 -1.0735 -1.0730 0.5302 0.5311 1.9710 1.9762 2.2993 2.3015 2.4297 2.4327 2.6123 2.6199 3.3425 3.3491 3.5529 3.5644 3.8277 3.8338 4.1277 4.1442 4.3479 4.3694 4.4762 4.4956 4.5628 4.5970 4.8253 4.8350 4.9426 4.9474 5.2692 5.2784 5.4545 5.4673 5.7027 5.7282 6.0409 6.0544 6.3222 6.3292 6.5375 6.5403 6.6694 6.6728 7.0102 7.0134 7.0594 7.0644 7.1007 7.1045 8.0420 8.0516 8.2313 8.2382 8.4545 8.4579 8.6569 8.6900 k = 0.2859-0.2354-0.5582 ( 10658 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7425 -35.7425 -35.7393 -35.7393 -5.4419 -5.4418 -4.7412 -4.7407 -4.6132 -4.6128 -4.4881 -4.4878 -4.2062 -4.2059 -4.1661 -4.1658 -1.0541 -1.0536 0.5418 0.5428 2.0041 2.0096 2.3376 2.3404 2.4475 2.4523 2.5800 2.5878 3.2603 3.2653 3.5222 3.5327 3.8192 3.8266 4.1733 4.1927 4.3763 4.4029 4.4920 4.5080 4.5935 4.6266 4.8267 4.8357 4.9302 4.9351 5.2666 5.2769 5.4470 5.4594 5.7082 5.7352 6.0079 6.0234 6.3200 6.3264 6.5319 6.5344 6.6487 6.6519 7.0113 7.0144 7.0608 7.0650 7.1035 7.1066 8.0379 8.0472 8.2416 8.2479 8.4602 8.4622 8.6285 8.6609 k = 0.2965-0.2442-0.5789 ( 10648 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8050 -35.8018 -35.8018 -35.7425 -35.7425 -35.7393 -35.7393 -5.4126 -5.4125 -4.7531 -4.7525 -4.6311 -4.6306 -4.4960 -4.4957 -4.2201 -4.2198 -4.1613 -4.1611 -1.0373 -1.0368 0.5526 0.5536 2.0395 2.0453 2.3495 2.3520 2.4522 2.4590 2.5920 2.5989 3.1797 3.1835 3.4955 3.5051 3.8059 3.8145 4.2112 4.2338 4.4011 4.4324 4.5024 4.5174 4.6230 4.6548 4.8297 4.8373 4.9163 4.9215 5.2617 5.2734 5.4416 5.4541 5.7115 5.7392 5.9789 5.9964 6.3210 6.3270 6.5263 6.5286 6.6292 6.6323 7.0119 7.0149 7.0623 7.0657 7.1060 7.1084 8.0324 8.0414 8.2548 8.2609 8.4587 8.4597 8.5978 8.6243 k = 0.3071-0.2529-0.5996 ( 10640 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8050 -35.8018 -35.8018 -35.7425 -35.7424 -35.7393 -35.7393 -5.3876 -5.3874 -4.7588 -4.7581 -4.6514 -4.6507 -4.5038 -4.5036 -4.2344 -4.2342 -4.1523 -4.1521 -1.0233 -1.0228 0.5623 0.5633 2.0767 2.0832 2.3183 2.3199 2.4804 2.4865 2.6295 2.6362 3.1030 3.1062 3.4725 3.4815 3.7896 3.7992 4.2397 4.2648 4.4214 4.4559 4.5077 4.5242 4.6493 4.6797 4.8330 4.8383 4.9024 4.9085 5.2551 5.2680 5.4401 5.4530 5.7083 5.7361 5.9561 5.9747 6.3245 6.3301 6.5210 6.5230 6.6123 6.6153 7.0121 7.0150 7.0638 7.0664 7.1082 7.1101 8.0254 8.0340 8.2695 8.2761 8.4505 8.4513 8.5719 8.5945 k = 0.3177-0.2616-0.6202 ( 10628 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8050 -35.8018 -35.8018 -35.7425 -35.7424 -35.7393 -35.7393 -5.3674 -5.3673 -4.7579 -4.7570 -4.6725 -4.6716 -4.5125 -4.5123 -4.2487 -4.2485 -4.1402 -4.1400 -1.0123 -1.0118 0.5705 0.5715 2.1145 2.1225 2.2692 2.2729 2.5215 2.5273 2.6742 2.6814 3.0330 3.0361 3.4531 3.4615 3.7718 3.7822 4.2585 4.2848 4.4361 4.4711 4.5094 4.5285 4.6700 4.6989 4.8343 4.8376 4.8897 4.8980 5.2487 5.2623 5.4431 5.4564 5.6966 5.7233 5.9399 5.9583 6.3297 6.3351 6.5163 6.5180 6.5994 6.6024 7.0119 7.0147 7.0652 7.0672 7.1102 7.1120 8.0167 8.0249 8.2841 8.2914 8.4388 8.4403 8.5540 8.5739 k = 0.3283-0.2703-0.6409 ( 10630 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8050 -35.8018 -35.8018 -35.7425 -35.7424 -35.7393 -35.7393 -5.3526 -5.3525 -4.7509 -4.7496 -4.6927 -4.6913 -4.5221 -4.5219 -4.2628 -4.2626 -4.1260 -4.1258 -1.0045 -1.0039 0.5770 0.5780 2.1477 2.1607 2.2214 2.2305 2.5651 2.5710 2.7171 2.7254 2.9739 2.9780 3.4370 3.4451 3.7537 3.7647 4.2680 4.2942 4.4441 4.4760 4.5096 4.5304 4.6829 4.7100 4.8318 4.8353 4.8797 4.8903 5.2442 5.2583 5.4493 5.4631 5.6769 5.7018 5.9278 5.9449 6.3358 6.3410 6.5128 6.5143 6.5918 6.5949 7.0112 7.0139 7.0664 7.0680 7.1122 7.1144 8.0061 8.0138 8.2956 8.3038 8.4284 8.4315 8.5442 8.5626 k = 0.3389-0.2790-0.6616 ( 10646 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8050 -35.8018 -35.8018 -35.7425 -35.7424 -35.7394 -35.7393 -5.3432 -5.3431 -4.7427 -4.7404 -4.7071 -4.7047 -4.5324 -4.5322 -4.2764 -4.2762 -4.1106 -4.1104 -0.9998 -0.9993 0.5817 0.5827 2.1486 2.1620 2.2147 2.2252 2.6073 2.6134 2.7475 2.7573 2.9366 2.9424 3.4245 3.4323 3.7364 3.7480 4.2691 4.2944 4.4444 4.4702 4.5092 4.5305 4.6864 4.7111 4.8267 4.8307 4.8729 4.8845 5.2429 5.2571 5.4556 5.4697 5.6533 5.6765 5.9155 5.9308 6.3421 6.3471 6.5119 6.5130 6.5901 6.5932 7.0103 7.0127 7.0671 7.0690 7.1144 7.1172 7.9936 8.0006 8.3014 8.3104 8.4226 8.4281 8.5430 8.5614 k = 0.3495-0.2878-0.6823 ( 10644 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8050 -35.8018 -35.8018 -35.7425 -35.7424 -35.7394 -35.7393 -5.3387 -5.3386 -4.7483 -4.7466 -4.6990 -4.6972 -4.5430 -4.5428 -4.2895 -4.2893 -4.0948 -4.0946 -0.9983 -0.9978 0.5843 0.5853 2.1161 2.1237 2.2531 2.2590 2.6434 2.6494 2.7542 2.7636 2.9374 2.9440 3.4153 3.4230 3.7207 3.7329 4.2630 4.2869 4.4363 4.4561 4.5070 4.5292 4.6803 4.7023 4.8191 4.8252 4.8696 4.8800 5.2442 5.2583 5.4565 5.4704 5.6323 5.6541 5.8996 5.9131 6.3479 6.3525 6.5147 6.5156 6.5943 6.5976 7.0091 7.0113 7.0675 7.0699 7.1170 7.1204 7.9791 7.9855 8.3015 8.3111 8.4200 8.4286 8.5521 8.5718 k = 0.3601-0.2965-0.7029 ( 10652 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8050 -35.8018 -35.8018 -35.7425 -35.7424 -35.7394 -35.7393 -5.3383 -5.3382 -4.7645 -4.7635 -4.6740 -4.6729 -4.5536 -4.5533 -4.3019 -4.3018 -4.0792 -4.0790 -0.9999 -0.9994 0.5849 0.5859 2.0822 2.0882 2.2940 2.2995 2.6605 2.6650 2.7552 2.7629 2.9708 2.9776 3.4096 3.4171 3.7077 3.7203 4.2509 4.2728 4.4202 4.4361 4.5025 4.5262 4.6653 4.6852 4.8087 4.8193 4.8694 4.8777 5.2466 5.2605 5.4455 5.4583 5.6208 5.6411 5.8784 5.8905 6.3525 6.3567 6.5220 6.5229 6.6040 6.6074 7.0074 7.0095 7.0680 7.0708 7.1200 7.1240 7.9629 7.9687 8.2982 8.3088 8.4172 8.4290 8.5716 8.5936 k = 0.6399-0.0605-0.5464 ( 10652 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8050 -35.8018 -35.8018 -35.7425 -35.7424 -35.7394 -35.7393 -5.3383 -5.3382 -4.7645 -4.7635 -4.6740 -4.6729 -4.5536 -4.5533 -4.3019 -4.3018 -4.0792 -4.0790 -0.9999 -0.9994 0.5849 0.5859 2.0822 2.0882 2.2940 2.2995 2.6605 2.6650 2.7552 2.7629 2.9708 2.9776 3.4096 3.4171 3.7077 3.7203 4.2509 4.2728 4.4202 4.4361 4.5025 4.5262 4.6653 4.6852 4.8087 4.8193 4.8694 4.8777 5.2466 5.2605 5.4455 5.4583 5.6208 5.6411 5.8784 5.8905 6.3525 6.3567 6.5220 6.5229 6.6040 6.6074 7.0074 7.0095 7.0680 7.0708 7.1200 7.1240 7.9629 7.9687 8.2982 8.3088 8.4172 8.4290 8.5716 8.5936 k = 0.6299-0.0393-0.5464 ( 10670 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7425 -35.7425 -35.7394 -35.7393 -5.3411 -5.3410 -4.7812 -4.7806 -4.6450 -4.6441 -4.5626 -4.5622 -4.3130 -4.3129 -4.0653 -4.0651 -1.0040 -1.0035 0.5837 0.5847 2.0546 2.0599 2.3310 2.3368 2.6492 2.6529 2.7757 2.7835 3.0146 3.0218 3.4072 3.4145 3.6987 3.7117 4.2348 4.2547 4.3989 4.4132 4.4962 4.5215 4.6446 4.6633 4.7980 4.8127 4.8714 4.8779 5.2480 5.2614 5.4224 5.4338 5.6193 5.6386 5.8541 5.8653 6.3557 6.3594 6.5329 6.5341 6.6176 6.6212 7.0054 7.0074 7.0686 7.0719 7.1232 7.1276 7.9465 7.9516 8.2942 8.3061 8.4133 8.4281 8.5959 8.6217 k = 0.6199-0.0181-0.5464 ( 10656 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8050 -35.8018 -35.8018 -35.7425 -35.7425 -35.7393 -35.7393 -5.3459 -5.3458 -4.7975 -4.7971 -4.6160 -4.6152 -4.5678 -4.5672 -4.3234 -4.3233 -4.0526 -4.0524 -1.0103 -1.0098 0.5808 0.5817 2.0321 2.0370 2.3632 2.3695 2.6289 2.6327 2.8078 2.8164 3.0614 3.0692 3.4075 3.4145 3.6938 3.7070 4.2151 4.2328 4.3732 4.3875 4.4877 4.5146 4.6194 4.6372 4.7876 4.8057 4.8748 4.8803 5.2463 5.2589 5.3907 5.4018 5.6214 5.6408 5.8276 5.8383 6.3575 6.3607 6.5474 6.5488 6.6348 6.6385 7.0030 7.0049 7.0697 7.0732 7.1266 7.1313 7.9292 7.9338 8.2900 8.3036 8.4094 8.4272 8.6188 8.6496 k = 0.6099 0.0030-0.5464 ( 10660 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7425 -35.7425 -35.7393 -35.7393 -5.3522 -5.3522 -4.8131 -4.8127 -4.6009 -4.6002 -4.5561 -4.5555 -4.3330 -4.3329 -4.0415 -4.0413 -1.0186 -1.0181 0.5764 0.5773 2.0148 2.0195 2.3863 2.3931 2.6154 2.6194 2.8428 2.8523 3.1071 3.1156 3.4105 3.4169 3.6941 3.7072 4.1928 4.2081 4.3447 4.3598 4.4770 4.5052 4.5915 4.6083 4.7784 4.7987 4.8790 4.8843 5.2382 5.2496 5.3571 5.3693 5.6205 5.6409 5.8025 5.8129 6.3583 6.3610 6.5644 6.5660 6.6547 6.6586 7.0000 7.0019 7.0711 7.0748 7.1300 7.1349 7.9114 7.9155 8.2855 8.3004 8.4078 8.4280 8.6311 8.6584 k = 0.6000 0.0242-0.5464 ( 10666 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7425 -35.7425 -35.7393 -35.7393 -5.3594 -5.3593 -4.8275 -4.8273 -4.6035 -4.6032 -4.5245 -4.5241 -4.3418 -4.3417 -4.0323 -4.0321 -1.0284 -1.0279 0.5707 0.5716 2.0024 2.0070 2.3961 2.4027 2.6167 2.6207 2.8778 2.8881 3.1491 3.1583 3.4161 3.4214 3.7004 3.7129 4.1689 4.1818 4.3145 4.3309 4.4638 4.4931 4.5625 4.5784 4.7704 4.7922 4.8840 4.8894 5.2195 5.2297 5.3285 5.3427 5.6116 5.6328 5.7829 5.7928 6.3581 6.3604 6.5830 6.5848 6.6766 6.6806 6.9964 6.9985 7.0730 7.0768 7.1332 7.1382 7.8935 7.8972 8.2803 8.2957 8.4102 8.4321 8.6301 8.6509 k = 0.5900 0.0454-0.5464 ( 10654 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8050 -35.8018 -35.8018 -35.7425 -35.7425 -35.7393 -35.7393 -5.3670 -5.3669 -4.8408 -4.8406 -4.6104 -4.6102 -4.4877 -4.4874 -4.3496 -4.3494 -4.0254 -4.0251 -1.0393 -1.0388 0.5641 0.5649 1.9947 1.9991 2.3921 2.3982 2.6336 2.6377 2.9116 2.9227 3.1854 3.1951 3.4244 3.4281 3.7133 3.7248 4.1444 4.1551 4.2836 4.3015 4.4479 4.4781 4.5340 4.5493 4.7631 4.7858 4.8899 4.8957 5.1886 5.1986 5.3083 5.3243 5.5928 5.6140 5.7713 5.7800 6.3573 6.3592 6.6022 6.6040 6.6998 6.7038 6.9925 6.9946 7.0752 7.0790 7.1361 7.1411 7.8757 7.8790 8.2741 8.2889 8.4175 8.4401 8.6230 8.6418 k = 0.5800 0.0666-0.5464 ( 10658 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8050 -35.8018 -35.8018 -35.7425 -35.7425 -35.7393 -35.7393 -5.3745 -5.3745 -4.8529 -4.8527 -4.6177 -4.6175 -4.4504 -4.4502 -4.3559 -4.3558 -4.0208 -4.0205 -1.0507 -1.0504 0.5569 0.5576 1.9911 1.9954 2.3789 2.3843 2.6614 2.6657 2.9435 2.9554 3.2144 3.2243 3.4354 3.4372 3.7327 3.7426 4.1205 4.1293 4.2529 4.2724 4.4290 4.4593 4.5077 4.5227 4.7558 4.7789 4.8966 4.9032 5.1499 5.1612 5.2936 5.3105 5.5667 5.5869 5.7664 5.7733 6.3560 6.3576 6.6208 6.6226 6.7234 6.7274 6.9883 6.9904 7.0777 7.0814 7.1386 7.1434 7.8583 7.8613 8.2671 8.2804 8.4291 8.4517 8.6156 8.6345 k = 0.5700 0.0877-0.5464 ( 10674 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7425 -35.7393 -35.7393 -5.3818 -5.3817 -4.8636 -4.8635 -4.6247 -4.6245 -4.4154 -4.4152 -4.3595 -4.3593 -4.0187 -4.0185 -1.0623 -1.0620 0.5494 0.5501 1.9910 1.9951 2.3616 2.3663 2.6943 2.6989 2.9733 2.9858 3.2352 3.2449 3.4480 3.4499 3.7578 3.7656 4.0980 4.1055 4.2236 4.2445 4.4077 4.4368 4.4849 4.4996 4.7475 4.7705 4.9040 4.9121 5.1094 5.1231 5.2798 5.2969 5.5375 5.5565 5.7649 5.7703 6.3546 6.3559 6.6383 6.6400 6.7466 6.7505 6.9839 6.9860 7.0803 7.0839 7.1405 7.1452 7.8418 7.8444 8.2597 8.2713 8.4435 8.4657 8.6107 8.6300 k = 0.5600 0.1089-0.5464 ( 10658 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7425 -35.7393 -35.7393 -5.3884 -5.3884 -4.8730 -4.8729 -4.6309 -4.6308 -4.3903 -4.3901 -4.3536 -4.3533 -4.0192 -4.0189 -1.0735 -1.0732 0.5421 0.5426 1.9938 1.9975 2.3431 2.3473 2.7288 2.7337 3.0005 3.0135 3.2478 3.2572 3.4619 3.4655 3.7866 3.7920 4.0774 4.0844 4.1973 4.2192 4.3854 4.4118 4.4654 4.4798 4.7370 4.7595 4.9120 4.9221 5.0720 5.0889 5.2639 5.2807 5.5095 5.5268 5.7647 5.7689 6.3531 6.3542 6.6541 6.6558 6.7687 6.7724 6.9796 6.9816 7.0829 7.0863 7.1419 7.1463 7.8264 7.8287 8.2526 8.2623 8.4590 8.4802 8.6096 8.6291 k = 0.5500 0.1301-0.5464 ( 10648 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8050 -35.8018 -35.8018 -35.7425 -35.7425 -35.7393 -35.7392 -5.3943 -5.3943 -4.8810 -4.8809 -4.6364 -4.6363 -4.3844 -4.3843 -4.3297 -4.3294 -4.0220 -4.0218 -1.0839 -1.0836 0.5351 0.5356 1.9985 2.0019 2.3253 2.3290 2.7623 2.7673 3.0248 3.0379 3.2536 3.2625 3.4772 3.4818 3.8168 3.8195 4.0587 4.0659 4.1765 4.1983 4.3640 4.3871 4.4482 4.4621 4.7239 4.7453 4.9193 4.9319 5.0420 5.0625 5.2444 5.2603 5.4857 5.5007 5.7648 5.7681 6.3517 6.3525 6.6680 6.6694 6.7888 6.7922 6.9754 6.9774 7.0855 7.0887 7.1428 7.1467 7.8126 7.8145 8.2462 8.2540 8.4736 8.4930 8.6133 8.6320 k = 0.5400 0.1513-0.5464 ( 10652 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7425 -35.7392 -35.7392 -5.3993 -5.3993 -4.8875 -4.8875 -4.6409 -4.6409 -4.3856 -4.3856 -4.3008 -4.3005 -4.0268 -4.0266 -1.0930 -1.0928 0.5290 0.5294 2.0045 2.0075 2.3093 2.3125 2.7930 2.7979 3.0460 3.0586 3.2543 3.2625 3.4926 3.4975 3.8446 3.8461 4.0413 4.0489 4.1638 4.1839 4.3454 4.3650 4.4322 4.4452 4.7084 4.7278 4.9246 4.9387 5.0243 5.0471 5.2213 5.2355 5.4673 5.4797 5.7648 5.7674 6.3505 6.3511 6.6796 6.6808 6.8064 6.8094 6.9716 6.9734 7.0880 7.0908 7.1432 7.1466 7.8007 7.8023 8.2408 8.2469 8.4859 8.5023 8.6218 8.6382 k = 0.5300 0.1724-0.5464 ( 10660 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4033 -5.4033 -4.8927 -4.8926 -4.6445 -4.6445 -4.3877 -4.3877 -4.2743 -4.2741 -4.0330 -4.0328 -1.1004 -1.1003 0.5239 0.5242 2.0107 2.0131 2.2959 2.2984 2.8194 2.8237 3.0637 3.0750 3.2522 3.2593 3.5068 3.5111 3.8673 3.8706 4.0248 4.0323 4.1604 4.1771 4.3314 4.3474 4.4171 4.4286 4.6925 4.7086 4.9266 4.9389 5.0230 5.0441 5.1953 5.2077 5.4546 5.4639 5.7648 5.7667 6.3495 6.3499 6.6888 6.6898 6.8208 6.8233 6.9683 6.9698 7.0903 7.0925 7.1433 7.1461 7.7911 7.7923 8.2367 8.2412 8.4954 8.5079 8.6335 8.6465 k = 0.5200 0.1936-0.5464 ( 10656 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4062 -5.4062 -4.8963 -4.8963 -4.6471 -4.6471 -4.3895 -4.3895 -4.2529 -4.2527 -4.0393 -4.0392 -1.1060 -1.1059 0.5201 0.5203 2.0162 2.0180 2.2857 2.2875 2.8400 2.8433 3.0777 3.0865 3.2492 3.2547 3.5183 3.5216 3.8852 3.8897 4.0097 4.0166 4.1644 4.1764 4.3234 4.3354 4.4033 4.4125 4.6788 4.6905 4.9264 4.9344 5.0347 5.0512 5.1690 5.1794 5.4469 5.4529 5.7648 5.7660 6.3488 6.3490 6.6955 6.6962 6.8316 6.8334 6.9659 6.9670 7.0923 7.0938 7.1433 7.1453 7.7841 7.7849 8.2339 8.2369 8.5022 8.5105 8.6458 8.6546 k = 0.5100 0.2148-0.5464 ( 10646 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4080 -5.4080 -4.8985 -4.8985 -4.6486 -4.6486 -4.3907 -4.3907 -4.2387 -4.2387 -4.0442 -4.0441 -1.1094 -1.1093 0.5177 0.5178 2.0202 2.0211 2.2795 2.2804 2.8534 2.8552 3.0876 3.0924 3.2473 3.2503 3.5261 3.5279 3.8980 3.9015 3.9992 4.0036 4.1712 4.1776 4.3216 4.3284 4.3934 4.3989 4.6704 4.6766 4.9259 4.9297 5.0517 5.0619 5.1470 5.1543 5.4431 5.4461 5.7648 5.7654 6.3483 6.3485 6.6996 6.7000 6.8385 6.8395 6.9645 6.9650 7.0937 7.0945 7.1435 7.1445 7.7799 7.7803 8.2326 8.2340 8.5068 8.5108 8.6556 8.6601 k = 0.5000 0.2360-0.5464 ( 10646 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4086 -5.4086 -4.8993 -4.8993 -4.6492 -4.6492 -4.3911 -4.3911 -4.2337 -4.2337 -4.0461 -4.0461 -1.1105 -1.1105 0.5170 0.5170 2.0219 2.0219 2.2777 2.2777 2.8587 2.8587 3.0927 3.0927 3.2476 3.2476 3.5295 3.5295 3.9042 3.9042 3.9968 3.9968 4.1762 4.1762 4.3241 4.3241 4.3914 4.3914 4.6695 4.6695 4.9268 4.9268 5.0642 5.0642 5.1401 5.1401 5.4430 5.4430 5.7651 5.7651 6.3482 6.3482 6.7011 6.7011 6.8412 6.8412 6.9642 6.9642 7.0945 7.0945 7.1438 7.1438 7.7786 7.7786 8.2326 8.2326 8.5096 8.5096 8.6607 8.6607 k = 0.5000 0.2360-0.5464 ( 10646 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4086 -5.4086 -4.8993 -4.8993 -4.6492 -4.6492 -4.3911 -4.3911 -4.2337 -4.2337 -4.0461 -4.0461 -1.1105 -1.1105 0.5170 0.5170 2.0219 2.0219 2.2777 2.2777 2.8587 2.8587 3.0927 3.0927 3.2476 3.2476 3.5295 3.5295 3.9042 3.9042 3.9968 3.9968 4.1762 4.1762 4.3241 4.3241 4.3914 4.3914 4.6695 4.6695 4.9268 4.9268 5.0642 5.0642 5.1401 5.1401 5.4430 5.4430 5.7651 5.7651 6.3482 6.3482 6.7011 6.7011 6.8412 6.8412 6.9642 6.9642 7.0945 7.0945 7.1438 7.1438 7.7786 7.7786 8.2326 8.2326 8.5096 8.5096 8.6607 8.6607 k = 0.5155 0.2433-0.5290 ( 10642 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4089 -5.4089 -4.8986 -4.8986 -4.6534 -4.6533 -4.3870 -4.3870 -4.2332 -4.2332 -4.0461 -4.0460 -1.1110 -1.1110 0.5164 0.5165 2.0208 2.0213 2.2783 2.2791 2.8549 2.8569 3.0929 3.0972 3.2468 3.2486 3.5274 3.5284 3.9041 3.9078 3.9944 4.0000 4.1732 4.1790 4.3194 4.3243 4.3897 4.3981 4.6671 4.6746 4.9174 4.9252 5.0509 5.0807 5.1259 5.1540 5.4425 5.4483 5.7638 5.7651 6.3485 6.3487 6.7012 6.7019 6.8411 6.8419 6.9640 6.9649 7.0933 7.0945 7.1445 7.1455 7.7791 7.7796 8.2287 8.2302 8.5063 8.5125 8.6540 8.6614 k = 0.5311 0.2507-0.5116 ( 10629 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8062 -36.8062 -36.8028 -36.8028 -35.8050 -35.8050 -35.8018 -35.8018 -35.7425 -35.7425 -35.7392 -35.7392 -5.4100 -5.4100 -4.8967 -4.8966 -4.6652 -4.6650 -4.3758 -4.3756 -4.2315 -4.2315 -4.0460 -4.0460 -1.1124 -1.1124 0.5148 0.5149 2.0180 2.0191 2.2807 2.2823 2.8462 2.8498 3.0974 3.1057 3.2465 3.2499 3.5223 3.5243 3.9071 3.9144 3.9928 4.0039 4.1702 4.1814 4.3114 4.3202 4.3930 4.4077 4.6677 4.6824 4.8994 4.9120 5.0417 5.0954 5.1146 5.1671 5.4469 5.4579 5.7613 5.7639 6.3496 6.3500 6.7021 6.7034 6.8417 6.8433 6.9645 6.9664 7.0911 7.0935 7.1474 7.1492 7.7809 7.7819 8.2187 8.2214 8.5030 8.5146 8.6436 8.6571 k = 0.5466 0.2580-0.4942 ( 10632 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8062 -36.8062 -36.8028 -36.8028 -35.8050 -35.8050 -35.8018 -35.8018 -35.7425 -35.7425 -35.7392 -35.7392 -5.4118 -5.4118 -4.8935 -4.8933 -4.6826 -4.6823 -4.3593 -4.3591 -4.2286 -4.2286 -4.0460 -4.0460 -1.1148 -1.1148 0.5122 0.5123 2.0140 2.0156 2.2842 2.2867 2.8338 2.8386 3.1052 3.1167 3.2466 3.2515 3.5147 3.5176 3.9120 3.9230 3.9929 4.0090 4.1676 4.1838 4.3017 4.3139 4.3988 4.4178 4.6710 4.6926 4.8760 4.8903 5.0351 5.0901 5.1233 5.1797 5.4558 5.4707 5.7576 5.7615 6.3515 6.3521 6.7037 6.7056 6.8430 6.8452 6.9655 6.9683 7.0882 7.0916 7.1522 7.1545 7.7840 7.7856 8.2026 8.2062 8.4993 8.5150 8.6332 8.6509 k = 0.5622 0.2653-0.4768 ( 10632 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8062 -36.8062 -36.8028 -36.8028 -35.8050 -35.8050 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4146 -5.4145 -4.8891 -4.8889 -4.7032 -4.7028 -4.3397 -4.3395 -4.2244 -4.2244 -4.0459 -4.0459 -1.1181 -1.1181 0.5086 0.5087 2.0092 2.0113 2.2881 2.2913 2.8193 2.8247 3.1147 3.1286 3.2476 3.2535 3.5049 3.5089 3.9172 3.9314 3.9958 4.0157 4.1662 4.1866 4.2914 4.3070 4.4051 4.4267 4.6765 4.7045 4.8501 4.8644 5.0289 5.0762 5.1406 5.1921 5.4682 5.4858 5.7525 5.7577 6.3542 6.3550 6.7059 6.7083 6.8448 6.8476 6.9670 6.9708 7.0851 7.0893 7.1583 7.1611 7.7884 7.7905 8.1810 8.1852 8.4947 8.5124 8.6261 8.6458 k = 0.5777 0.2727-0.4594 ( 10626 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8062 -36.8062 -36.8028 -36.8028 -35.8050 -35.8050 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4183 -5.4183 -4.8836 -4.8834 -4.7252 -4.7248 -4.3190 -4.3188 -4.2185 -4.2185 -4.0459 -4.0458 -1.1224 -1.1223 0.5042 0.5043 2.0040 2.0066 2.2912 2.2952 2.8036 2.8094 3.1248 3.1400 3.2493 3.2559 3.4940 3.4988 3.9211 3.9376 4.0024 4.0244 4.1668 4.1905 4.2813 4.3007 4.4101 4.4333 4.6822 4.7160 4.8257 4.8394 5.0222 5.0624 5.1582 5.2048 5.4829 5.5021 5.7462 5.7526 6.3578 6.3588 6.7084 6.7112 6.8473 6.8506 6.9689 6.9736 7.0819 7.0869 7.1655 7.1686 7.7939 7.7966 8.1549 8.1593 8.4886 8.5059 8.6240 8.6431 k = 0.5933 0.2800-0.4420 ( 10633 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8062 -36.8062 -36.8028 -36.8028 -35.8050 -35.8050 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4234 -5.4233 -4.8774 -4.8771 -4.7471 -4.7466 -4.2986 -4.2984 -4.2107 -4.2106 -4.0458 -4.0457 -1.1275 -1.1274 0.4989 0.4990 1.9989 2.0019 2.2927 2.2974 2.7877 2.7937 3.1342 3.1497 3.2516 3.2586 3.4828 3.4885 3.9223 3.9405 4.0121 4.0343 4.1702 4.1957 4.2723 4.2958 4.4132 4.4372 4.6841 4.7220 4.8084 4.8216 5.0152 5.0503 5.1754 5.2178 5.4988 5.5188 5.7386 5.7462 6.3623 6.3636 6.7111 6.7141 6.8503 6.8540 6.9711 6.9767 7.0788 7.0846 7.1734 7.1768 7.8004 7.8037 8.1256 8.1301 8.4808 8.4960 8.6260 8.6430 k = 0.6088 0.2873-0.4246 ( 10632 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8062 -36.8062 -36.8028 -36.8028 -35.8050 -35.8050 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4298 -5.4298 -4.8710 -4.8706 -4.7674 -4.7667 -4.2798 -4.2796 -4.2003 -4.2002 -4.0457 -4.0456 -1.1335 -1.1334 0.4930 0.4931 1.9940 1.9976 2.2917 2.2972 2.7721 2.7781 3.1416 3.1562 3.2542 3.2621 3.4727 3.4792 3.9205 3.9401 4.0225 4.0439 4.1772 4.2026 4.2656 4.2936 4.4141 4.4384 4.6775 4.7158 4.8047 4.8182 5.0087 5.0408 5.1922 5.2314 5.5151 5.5351 5.7298 5.7386 6.3677 6.3693 6.7138 6.7170 6.8539 6.8578 6.9734 6.9799 7.0759 7.0825 7.1818 7.1854 7.8078 7.8117 8.0947 8.0993 8.4713 8.4840 8.6299 8.6441 k = 0.6244 0.2947-0.4072 ( 10632 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8062 -36.8062 -36.8028 -36.8028 -35.8050 -35.8050 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4379 -5.4379 -4.8656 -4.8650 -4.7841 -4.7832 -4.2634 -4.2631 -4.1873 -4.1872 -4.0456 -4.0455 -1.1404 -1.1403 0.4865 0.4866 1.9896 1.9937 2.2877 2.2939 2.7570 2.7629 3.1449 3.1574 3.2578 3.2672 3.4649 3.4719 3.9159 3.9369 4.0311 4.0515 4.1869 4.2107 4.2631 4.2958 4.4130 4.4376 4.6623 4.6990 4.8132 4.8289 5.0040 5.0348 5.2088 5.2452 5.5308 5.5506 5.7201 5.7301 6.3741 6.3760 6.7162 6.7195 6.8579 6.8621 6.9756 6.9830 7.0734 7.0806 7.1904 7.1942 7.8158 7.8205 8.0638 8.0687 8.4607 8.4710 8.6334 8.6451 k = 0.6399 0.3020-0.3898 ( 10633 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8062 -36.8062 -36.8028 -36.8028 -35.8050 -35.8050 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4479 -5.4478 -4.8632 -4.8625 -4.7944 -4.7934 -4.2494 -4.2492 -4.1719 -4.1718 -4.0455 -4.0453 -1.1482 -1.1481 0.4795 0.4796 1.9856 1.9903 2.2806 2.2876 2.7424 2.7482 3.1414 3.1511 3.2642 3.2755 3.4605 3.4675 3.9086 3.9310 4.0363 4.0560 4.1956 4.2179 4.2689 4.3047 4.4105 4.4353 4.6432 4.6791 4.8283 4.8469 5.0025 5.0335 5.2249 5.2591 5.5454 5.5647 5.7098 5.7212 6.3815 6.3837 6.7184 6.7217 6.8624 6.8667 6.9775 6.9856 7.0712 7.0792 7.1989 7.2029 7.8244 7.8299 8.0345 8.0399 8.4496 8.4578 8.6349 8.6445 k = 0.6399 0.3020-0.3898 ( 10633 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8062 -36.8062 -36.8028 -36.8028 -35.8050 -35.8050 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4479 -5.4478 -4.8632 -4.8625 -4.7944 -4.7934 -4.2494 -4.2492 -4.1719 -4.1718 -4.0455 -4.0453 -1.1482 -1.1481 0.4795 0.4796 1.9856 1.9903 2.2806 2.2876 2.7424 2.7482 3.1414 3.1511 3.2642 3.2755 3.4605 3.4675 3.9086 3.9310 4.0363 4.0560 4.1956 4.2179 4.2689 4.3047 4.4105 4.4353 4.6432 4.6791 4.8283 4.8469 5.0025 5.0335 5.2249 5.2591 5.5454 5.5647 5.7098 5.7212 6.3815 6.3837 6.7184 6.7217 6.8624 6.8667 6.9775 6.9856 7.0712 7.0792 7.1989 7.2029 7.8244 7.8299 8.0345 8.0399 8.4496 8.4578 8.6349 8.6445 k = 0.6338 0.2992-0.3660 ( 10633 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8062 -36.8062 -36.8028 -36.8028 -35.8050 -35.8050 -35.8018 -35.8018 -35.7426 -35.7426 -35.7391 -35.7391 -5.4691 -5.4690 -4.8848 -4.8844 -4.7704 -4.7698 -4.2356 -4.2353 -4.1530 -4.1528 -4.0403 -4.0402 -1.1585 -1.1583 0.4781 0.4782 1.9787 1.9846 2.2548 2.2630 2.7329 2.7385 3.1399 3.1453 3.2858 3.2999 3.4670 3.4735 3.8774 3.9014 4.0308 4.0517 4.1919 4.2120 4.2764 4.3100 4.4112 4.4343 4.6262 4.6656 4.8204 4.8341 4.9995 5.0276 5.2516 5.2822 5.5355 5.5528 5.7120 5.7235 6.4092 6.4118 6.7229 6.7261 6.8661 6.8701 6.9772 6.9854 7.0692 7.0771 7.2138 7.2180 7.8204 7.8266 8.0139 8.0195 8.4321 8.4402 8.6245 8.6339 k = 0.6278 0.2963-0.3423 ( 10631 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8062 -36.8062 -36.8028 -36.8028 -35.8050 -35.8050 -35.8018 -35.8018 -35.7426 -35.7426 -35.7391 -35.7391 -5.4940 -5.4939 -4.9126 -4.9125 -4.7346 -4.7342 -4.2231 -4.2228 -4.1316 -4.1314 -4.0342 -4.0340 -1.1714 -1.1712 0.4765 0.4767 1.9694 1.9764 2.2274 2.2368 2.7249 2.7303 3.1034 3.1084 3.3301 3.3443 3.4796 3.4849 3.8409 3.8661 4.0178 4.0395 4.1879 4.2060 4.2937 4.3254 4.4121 4.4308 4.6076 4.6488 4.8124 4.8230 5.0088 5.0344 5.2719 5.2983 5.5332 5.5481 5.7134 5.7253 6.4413 6.4442 6.7275 6.7305 6.8694 6.8732 6.9766 6.9846 7.0688 7.0764 7.2287 7.2330 7.8158 7.8228 7.9991 8.0051 8.4129 8.4206 8.6104 8.6193 k = 0.6217 0.2934-0.3185 ( 10630 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8062 -36.8062 -36.8028 -36.8028 -35.8050 -35.8050 -35.8018 -35.8018 -35.7427 -35.7427 -35.7391 -35.7391 -5.5213 -5.5212 -4.9420 -4.9419 -4.6929 -4.6925 -4.2113 -4.2110 -4.1090 -4.1088 -4.0271 -4.0269 -1.1868 -1.1867 0.4750 0.4751 1.9586 1.9668 2.1999 2.2106 2.7170 2.7223 3.0548 3.0598 3.3719 3.3845 3.4963 3.5010 3.8028 3.8294 3.9967 4.0182 4.1853 4.2033 4.3080 4.3378 4.4194 4.4396 4.5906 4.6313 4.8081 4.8188 5.0269 5.0502 5.2794 5.3004 5.5446 5.5588 5.7123 5.7246 6.4766 6.4797 6.7322 6.7350 6.8722 6.8757 6.9755 6.9829 7.0702 7.0774 7.2432 7.2474 7.8100 7.8176 7.9925 7.9989 8.3921 8.3994 8.5931 8.6013 k = 0.6156 0.2905-0.2948 ( 10634 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8062 -36.8062 -36.8028 -36.8027 -35.8050 -35.8050 -35.8018 -35.8018 -35.7427 -35.7427 -35.7390 -35.7390 -5.5500 -5.5499 -4.9713 -4.9713 -4.6475 -4.6471 -4.1996 -4.1992 -4.0862 -4.0860 -4.0190 -4.0188 -1.2046 -1.2044 0.4737 0.4738 1.9473 1.9567 2.1737 2.1857 2.7080 2.7130 3.0016 3.0063 3.3951 3.4038 3.5221 3.5260 3.7668 3.7953 3.9687 3.9890 4.1803 4.2014 4.3128 4.3373 4.4406 4.4701 4.5810 4.6197 4.8098 4.8219 5.0500 5.0713 5.2724 5.2885 5.5683 5.5861 5.7094 5.7225 6.5140 6.5173 6.7369 6.7395 6.8745 6.8776 6.9737 6.9805 7.0733 7.0802 7.2567 7.2608 7.8032 7.8111 7.9952 8.0016 8.3699 8.3768 8.5728 8.5803 k = 0.6095 0.2877-0.2710 ( 10634 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8062 -36.8062 -36.8027 -36.8027 -35.8050 -35.8050 -35.8018 -35.8018 -35.7428 -35.7428 -35.7390 -35.7390 -5.5792 -5.5791 -5.0002 -5.0002 -4.5997 -4.5993 -4.1876 -4.1872 -4.0639 -4.0636 -4.0100 -4.0097 -1.2245 -1.2243 0.4726 0.4728 1.9366 1.9471 2.1494 2.1627 2.6970 2.7016 2.9464 2.9506 3.3911 3.3949 3.5579 3.5608 3.7365 3.7663 3.9373 3.9554 4.1684 4.1933 4.3151 4.3314 4.4704 4.5046 4.5893 4.6256 4.8177 4.8312 5.0755 5.0947 5.2552 5.2685 5.5956 5.6198 5.7103 5.7240 6.5523 6.5557 6.7416 6.7439 6.8759 6.8788 6.9714 6.9772 7.0779 7.0846 7.2687 7.2726 7.7968 7.8048 8.0063 8.0125 8.3465 8.3529 8.5499 8.5568 k = 0.6034 0.2848-0.2473 ( 10628 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8062 -36.8062 -36.8027 -36.8027 -35.8050 -35.8050 -35.8018 -35.8018 -35.7428 -35.7428 -35.7389 -35.7389 -5.6085 -5.6084 -5.0283 -5.0283 -4.5504 -4.5500 -4.1752 -4.1748 -4.0427 -4.0425 -3.9999 -3.9997 -1.2463 -1.2462 0.4720 0.4722 1.9273 1.9389 2.1277 2.1423 2.6832 2.6872 2.8906 2.8945 3.3621 3.3638 3.5922 3.5943 3.7155 3.7431 3.9086 3.9242 4.1484 4.1745 4.3214 4.3314 4.4908 4.5233 4.6255 4.6617 4.8323 4.8471 5.1000 5.1170 5.2346 5.2481 5.6114 5.6392 5.7301 5.7412 6.5903 6.5938 6.7463 6.7485 6.8766 6.8792 6.9683 6.9733 7.0833 7.0900 7.2788 7.2825 7.7929 7.8006 8.0244 8.0300 8.3220 8.3280 8.5252 8.5318 k = 0.5973 0.2819-0.2235 ( 10646 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8062 -36.8027 -36.8027 -35.8050 -35.8050 -35.8018 -35.8018 -35.7428 -35.7428 -35.7389 -35.7389 -5.6372 -5.6371 -5.0553 -5.0553 -4.5004 -4.5000 -4.1623 -4.1619 -4.0233 -4.0230 -3.9887 -3.9885 -1.2698 -1.2697 0.4720 0.4722 1.9202 1.9329 2.1087 2.1246 2.6657 2.6689 2.8361 2.8396 3.3150 3.3179 3.5994 3.6058 3.7169 3.7345 3.8896 3.9030 4.1227 4.1467 4.3322 4.3392 4.5011 4.5300 4.6792 4.7179 4.8565 4.8716 5.1167 5.1323 5.2196 5.2370 5.6080 5.6347 5.7748 5.7800 6.6272 6.6308 6.7511 6.7532 6.8763 6.8787 6.9647 6.9689 7.0888 7.0958 7.2865 7.2902 7.7932 7.8007 8.0470 8.0522 8.2968 8.3025 8.4999 8.5064 k = 0.5913 0.2791-0.1997 ( 10640 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8062 -36.8027 -36.8027 -35.8050 -35.8050 -35.8018 -35.8018 -35.7429 -35.7429 -35.7389 -35.7389 -5.6652 -5.6651 -5.0812 -5.0812 -4.4501 -4.4497 -4.1489 -4.1484 -4.0060 -4.0057 -3.9764 -3.9762 -1.2947 -1.2945 0.4728 0.4729 1.9159 1.9295 2.0925 2.1098 2.6434 2.6456 2.7848 2.7880 3.2574 3.2610 3.5648 3.5762 3.7458 3.7536 3.8841 3.8950 4.0947 4.1152 4.3459 4.3518 4.5092 4.5347 4.7325 4.7703 4.8978 4.9092 5.1170 5.1320 5.2237 5.2445 5.5926 5.6190 5.8311 5.8325 6.6619 6.6656 6.7565 6.7584 6.8752 6.8774 6.9606 6.9642 7.0937 7.1012 7.2916 7.2957 7.7993 7.8065 8.0714 8.0764 8.2713 8.2769 8.4758 8.4827 k = 0.5852 0.2762-0.1760 ( 10634 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8062 -36.8027 -36.8027 -35.8050 -35.8050 -35.8017 -35.8017 -35.7429 -35.7429 -35.7388 -35.7388 -5.6920 -5.6920 -5.1058 -5.1057 -4.4002 -4.3998 -4.1349 -4.1343 -3.9910 -3.9905 -3.9633 -3.9630 -1.3206 -1.3205 0.4743 0.4745 1.9147 1.9294 2.0791 2.0979 2.6145 2.6163 2.7394 2.7425 3.1934 3.1974 3.5066 3.5184 3.7793 3.7869 3.8910 3.8987 4.0687 4.0860 4.3612 4.3666 4.5181 4.5408 4.7733 4.8051 4.9587 4.9620 5.1054 5.1188 5.2486 5.2683 5.5726 5.6001 5.8909 5.8920 6.6932 6.6970 6.7630 6.7647 6.8732 6.8752 6.9562 6.9591 7.0973 7.1052 7.2941 7.2986 7.8122 7.8190 8.0939 8.0992 8.2464 8.2521 8.4559 8.4634 k = 0.5791 0.2733-0.1522 ( 10634 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8027 -36.8027 -35.8050 -35.8050 -35.8018 -35.8017 -35.7430 -35.7430 -35.7388 -35.7388 -5.7176 -5.7175 -5.1290 -5.1289 -4.3510 -4.3506 -4.1204 -4.1198 -3.9778 -3.9773 -3.9500 -3.9497 -1.3473 -1.3471 0.4768 0.4770 1.9170 1.9329 2.0682 2.0886 2.5776 2.5806 2.7015 2.7050 3.1260 3.1300 3.4370 3.4478 3.8029 3.8146 3.9052 3.9161 4.0498 4.0659 4.3772 4.3823 4.5283 4.5484 4.7998 4.8251 5.0164 5.0252 5.0979 5.1084 5.2838 5.3005 5.5537 5.5836 5.9525 5.9546 6.7189 6.7227 6.7725 6.7738 6.8704 6.8722 6.9514 6.9539 7.0991 7.1072 7.2939 7.2989 7.8322 7.8386 8.1100 8.1162 8.2227 8.2293 8.4438 8.4523 k = 0.5730 0.2704-0.1285 ( 10637 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8027 -36.8027 -35.8050 -35.8050 -35.8018 -35.8017 -35.7430 -35.7430 -35.7387 -35.7387 -5.7418 -5.7417 -5.1507 -5.1507 -4.3030 -4.3026 -4.1055 -4.1049 -3.9659 -3.9653 -3.9374 -3.9371 -1.3742 -1.3741 0.4802 0.4804 1.9228 1.9401 2.0596 2.0820 2.5349 2.5394 2.6711 2.6748 3.0570 3.0609 3.3615 3.3711 3.8100 3.8209 3.9277 3.9421 4.0460 4.0630 4.3936 4.3981 4.5394 4.5571 4.8147 4.8350 5.0442 5.0584 5.1232 5.1283 5.3208 5.3333 5.5452 5.5776 6.0153 6.0180 6.7366 6.7401 6.7873 6.7879 6.8667 6.8684 6.9465 6.9485 7.0987 7.1069 7.2912 7.2965 7.8589 7.8649 8.1156 8.1228 8.2015 8.2101 8.4438 8.4529 k = 0.5669 0.2676-0.1047 ( 10653 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8050 -35.8018 -35.8018 -35.7430 -35.7430 -35.7387 -35.7387 -5.7643 -5.7642 -5.1709 -5.1709 -4.2566 -4.2561 -4.0904 -4.0897 -3.9550 -3.9544 -3.9261 -3.9258 -1.4011 -1.4010 0.4845 0.4847 1.9320 1.9511 2.0530 2.0778 2.4899 2.4957 2.6461 2.6499 2.9878 2.9916 3.2834 3.2920 3.7995 3.8067 3.9521 3.9667 4.0655 4.0810 4.4100 4.4139 4.5506 4.5659 4.8196 4.8357 5.0470 5.0603 5.1705 5.1768 5.3467 5.3541 5.5636 5.5951 6.0786 6.0815 6.7465 6.7496 6.8057 6.8065 6.8626 6.8640 6.9415 6.9432 7.0962 7.1042 7.2858 7.2913 7.8904 7.8963 8.1096 8.1176 8.1843 8.1956 8.4577 8.4669 k = 0.5608 0.2647-0.0810 ( 10654 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8027 -36.8027 -35.8050 -35.8050 -35.8018 -35.8018 -35.7431 -35.7431 -35.7387 -35.7387 -5.7852 -5.7851 -5.1895 -5.1895 -4.2121 -4.2116 -4.0750 -4.0742 -3.9450 -3.9443 -3.9165 -3.9161 -1.4275 -1.4274 0.4897 0.4899 1.9444 1.9659 2.0482 2.0761 2.4454 2.4525 2.6248 2.6284 2.9195 2.9231 3.2049 3.2126 3.7758 3.7811 3.9713 3.9871 4.1051 4.1174 4.4264 4.4296 4.5613 4.5745 4.8153 4.8278 5.0500 5.0622 5.2116 5.2204 5.3506 5.3549 5.6191 5.6446 6.1419 6.1448 6.7518 6.7548 6.8230 6.8246 6.8593 6.8606 6.9365 6.9379 7.0917 7.0994 7.2778 7.2831 7.9232 7.9290 8.0949 8.1032 8.1741 8.1878 8.4837 8.4924 k = 0.5548 0.2618-0.0572 ( 10658 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8050 -35.8018 -35.8018 -35.7431 -35.7431 -35.7387 -35.7387 -5.8042 -5.8042 -5.2065 -5.2065 -4.1700 -4.1695 -4.0595 -4.0586 -3.9358 -3.9351 -3.9087 -3.9083 -1.4531 -1.4529 0.4956 0.4958 1.9591 1.9837 2.0452 2.0769 2.4037 2.4119 2.6060 2.6094 2.8529 2.8563 3.1274 3.1343 3.7453 3.7501 3.9875 4.0044 4.1552 4.1651 4.4426 4.4453 4.5713 4.5824 4.8034 4.8129 5.0567 5.0681 5.2392 5.2501 5.3399 5.3485 5.7001 5.7189 6.2048 6.2076 6.7546 6.7577 6.8319 6.8345 6.8619 6.8633 6.9315 6.9331 7.0857 7.0928 7.2670 7.2720 7.9507 7.9561 8.0751 8.0831 8.1779 8.1922 8.5179 8.5258 k = 0.5487 0.2590-0.0335 ( 10677 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7432 -35.7432 -35.7386 -35.7386 -5.8215 -5.8214 -5.2218 -5.2218 -4.1305 -4.1300 -4.0440 -4.0431 -3.9277 -3.9269 -3.9029 -3.9025 -1.4773 -1.4772 0.5021 0.5023 1.9747 2.0025 2.0456 2.0812 2.3661 2.3753 2.5891 2.5922 2.7886 2.7918 3.0523 3.0585 3.7127 3.7172 4.0026 4.0194 4.2099 4.2183 4.4586 4.4610 4.5803 4.5894 4.7863 4.7933 5.0646 5.0759 5.2465 5.2565 5.3397 5.3483 5.7921 5.8060 6.2672 6.2698 6.7557 6.7590 6.8288 6.8319 6.8734 6.8749 6.9268 6.9288 7.0786 7.0851 7.2531 7.2577 7.9662 7.9703 8.0527 8.0598 8.2035 8.2163 8.5564 8.5634 k = 0.5426 0.2561-0.0097 ( 10683 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7432 -35.7432 -35.7386 -35.7386 -5.8368 -5.8368 -5.2354 -5.2353 -4.0941 -4.0934 -4.0287 -4.0277 -3.9208 -3.9198 -3.8991 -3.8986 -1.4999 -1.4998 0.5089 0.5091 1.9890 2.0151 2.0557 2.0903 2.3338 2.3439 2.5740 2.5766 2.7270 2.7298 2.9808 2.9863 3.6806 3.6847 4.0168 4.0326 4.2664 4.2737 4.4746 4.4768 4.5882 4.5955 4.7660 4.7712 5.0696 5.0813 5.2338 5.2429 5.3562 5.3610 5.8866 5.8969 6.3292 6.3314 6.7552 6.7589 6.8205 6.8240 6.8859 6.8881 6.9231 6.9258 7.0712 7.0768 7.2360 7.2401 7.9682 7.9708 8.0295 8.0353 8.2511 8.2613 8.5967 8.6027 k = 0.5365 0.2532 0.0141 ( 10676 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7432 -35.7432 -35.7386 -35.7386 -5.8502 -5.8501 -5.2472 -5.2472 -4.0610 -4.0602 -4.0138 -4.0127 -3.9151 -3.9140 -3.8974 -3.8967 -1.5204 -1.5203 0.5158 0.5159 1.9993 2.0172 2.0797 2.1064 2.3075 2.3182 2.5606 2.5624 2.6686 2.6707 2.9141 2.9191 3.6506 3.6542 4.0299 4.0441 4.3229 4.3293 4.4906 4.4929 4.5951 4.6006 4.7442 4.7481 5.0672 5.0788 5.2161 5.2263 5.3775 5.3799 5.9781 5.9858 6.3907 6.3926 6.7531 6.7571 6.8103 6.8141 6.8952 6.8980 6.9223 6.9255 7.0639 7.0686 7.2157 7.2192 7.9615 7.9629 8.0070 8.0116 8.3137 8.3216 8.6373 8.6423 k = 0.5304 0.2503 0.0378 ( 10674 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8027 -36.8027 -35.8051 -35.8050 -35.8018 -35.8017 -35.7432 -35.7432 -35.7386 -35.7386 -5.8615 -5.8615 -5.2573 -5.2572 -4.0314 -4.0305 -3.9995 -3.9983 -3.9110 -3.9098 -3.8975 -3.8966 -1.5384 -1.5383 0.5224 0.5225 2.0043 2.0142 2.1112 2.1301 2.2877 2.2987 2.5485 2.5494 2.6132 2.6147 2.8538 2.8581 3.6238 3.6268 4.0417 4.0539 4.3778 4.3833 4.5069 4.5092 4.6009 4.6046 4.7220 4.7250 5.0538 5.0639 5.2054 5.2152 5.3981 5.3992 6.0627 6.0684 6.4516 6.4532 6.7490 6.7531 6.7996 6.8034 6.8991 6.9015 6.9269 6.9296 7.0570 7.0608 7.1923 7.1952 7.9509 7.9516 7.9866 7.9902 8.3837 8.3898 8.6779 8.6818 k = 0.5243 0.2475 0.0616 ( 10660 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8063 -36.8063 -36.8026 -36.8026 -35.8050 -35.8050 -35.8017 -35.8017 -35.7432 -35.7432 -35.7385 -35.7385 -5.8709 -5.8709 -5.2655 -5.2655 -4.0057 -4.0047 -3.9859 -3.9846 -3.9086 -3.9072 -3.8993 -3.8982 -1.5536 -1.5536 0.5283 0.5284 2.0049 2.0096 2.1462 2.1599 2.2747 2.2854 2.5329 2.5390 2.5596 2.5662 2.8016 2.8051 3.6010 3.6034 4.0518 4.0618 4.4294 4.4341 4.5236 4.5260 4.6056 4.6078 4.7003 4.7025 5.0305 5.0380 5.2034 5.2112 5.4161 5.4166 6.1369 6.1411 6.5115 6.5127 6.7429 6.7467 6.7889 6.7923 6.8988 6.9007 6.9352 6.9372 7.0508 7.0537 7.1666 7.1688 7.9393 7.9396 7.9692 7.9720 8.4543 8.4589 8.7196 8.7223 k = 0.5183 0.2446 0.0853 ( 10664 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8026 -36.8026 -35.8050 -35.8050 -35.8017 -35.8017 -35.7433 -35.7433 -35.7385 -35.7385 -5.8782 -5.8782 -5.2719 -5.2719 -3.9842 -3.9830 -3.9735 -3.9720 -3.9080 -3.9063 -3.9026 -3.9012 -1.5658 -1.5658 0.5334 0.5335 2.0030 2.0049 2.1815 2.1924 2.2692 2.2796 2.4988 2.5066 2.5319 2.5402 2.7590 2.7617 3.5826 3.5845 4.0602 4.0678 4.4750 4.4788 4.5414 4.5434 4.6089 4.6101 4.6797 4.6815 5.0023 5.0073 5.2061 5.2116 5.4308 5.4309 6.1981 6.2010 6.5687 6.5696 6.7355 6.7384 6.7780 6.7805 6.8972 6.8986 6.9444 6.9461 7.0453 7.0473 7.1399 7.1414 7.9286 7.9287 7.9557 7.9577 8.5176 8.5210 8.7648 8.7663 k = 0.5122 0.2417 0.1091 ( 10670 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8026 -36.8026 -35.8050 -35.8050 -35.8017 -35.8017 -35.7433 -35.7433 -35.7385 -35.7385 -5.8834 -5.8834 -5.2765 -5.2765 -3.9673 -3.9659 -3.9628 -3.9612 -3.9091 -3.9071 -3.9066 -3.9049 -1.5747 -1.5747 0.5372 0.5373 2.0003 2.0009 2.2110 2.2197 2.2763 2.2853 2.4528 2.4563 2.5261 2.5303 2.7278 2.7296 3.5693 3.5705 4.0666 4.0718 4.5105 4.5135 4.5606 4.5620 4.6107 4.6116 4.6614 4.6627 4.9753 4.9783 5.2100 5.2135 5.4416 5.4416 6.2439 6.2457 6.6205 6.6211 6.7282 6.7300 6.7656 6.7670 6.8956 6.8966 6.9536 6.9552 7.0400 7.0414 7.1153 7.1160 7.9199 7.9200 7.9462 7.9475 8.5662 8.5684 8.8143 8.8149 k = 0.5061 0.2389 0.1328 ( 10688 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8063 -36.8063 -36.8027 -36.8026 -35.8050 -35.8050 -35.8017 -35.8017 -35.7433 -35.7433 -35.7385 -35.7385 -5.8865 -5.8865 -5.2793 -5.2793 -3.9559 -3.9552 -3.9542 -3.9534 -3.9111 -3.9106 -3.9087 -3.9083 -1.5801 -1.5801 0.5396 0.5397 1.9982 1.9982 2.2269 2.2313 2.3022 2.3071 2.4086 2.4097 2.5229 2.5249 2.7088 2.7097 3.5613 3.5619 4.0711 4.0737 4.5325 4.5345 4.5791 4.5795 4.6112 4.6117 4.6472 4.6480 4.9555 4.9570 5.2132 5.2149 5.4482 5.4482 6.2725 6.2734 6.6619 6.6621 6.7236 6.7243 6.7506 6.7512 6.8946 6.8952 6.9618 6.9629 7.0350 7.0360 7.0974 7.0976 7.9144 7.9144 7.9407 7.9413 8.5956 8.5966 8.8604 8.8605 k = 0.5000 0.2360 0.1566 ( 10734 PWs) bands (ev): -64.7662 -64.7662 -64.7615 -64.7615 -36.8064 -36.8064 -36.8027 -36.8027 -35.8051 -35.8051 -35.8018 -35.8018 -35.7433 -35.7433 -35.7386 -35.7386 -5.8876 -5.8876 -5.2802 -5.2802 -3.9519 -3.9519 -3.9502 -3.9502 -3.9122 -3.9122 -3.9097 -3.9097 -1.5819 -1.5819 0.5405 0.5405 1.9973 1.9973 2.2321 2.2321 2.3259 2.3259 2.3823 2.3823 2.5225 2.5225 2.7027 2.7027 3.5588 3.5588 4.0735 4.0735 4.5407 4.5407 4.5879 4.5879 4.6110 4.6110 4.6415 4.6415 4.9486 4.9486 5.2149 5.2149 5.4504 5.4504 6.2825 6.2825 6.6804 6.6804 6.7238 6.7238 6.7399 6.7399 6.8945 6.8945 6.9659 6.9659 7.0329 7.0329 7.0908 7.0908 7.9124 7.9124 7.9390 7.9390 8.6055 8.6055 8.8813 8.8813 k = 0.5000-0.4117-0.2732 ( 10656 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4935 -5.4935 -4.9653 -4.9653 -4.5706 -4.5706 -4.2517 -4.2517 -4.1380 -4.1380 -4.1060 -4.1060 -1.2076 -1.2076 0.3810 0.3810 2.0180 2.0180 2.1568 2.1568 2.7634 2.7634 2.9619 2.9619 2.9865 2.9865 3.5460 3.5460 4.0794 4.0794 4.1277 4.1277 4.2451 4.2451 4.2876 4.2876 4.6025 4.6025 4.8388 4.8388 5.0426 5.0426 5.1712 5.1712 5.3346 5.3346 5.5279 5.5279 6.0309 6.0309 6.2372 6.2372 6.6543 6.6543 6.8925 6.8925 6.9533 6.9533 7.0942 7.0942 7.1695 7.1695 7.8188 7.8188 8.3882 8.3882 8.4057 8.4057 8.5242 8.5242 k = 0.5175-0.3970-0.2634 ( 10662 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4931 -5.4931 -4.9646 -4.9646 -4.5730 -4.5729 -4.2511 -4.2511 -4.1385 -4.1384 -4.1054 -4.1053 -1.2072 -1.2072 0.3816 0.3816 2.0167 2.0179 2.1584 2.1599 2.7606 2.7627 2.9517 2.9587 2.9925 2.9998 3.5463 3.5475 4.0769 4.0805 4.1244 4.1296 4.2392 4.2507 4.2823 4.2928 4.6008 4.6020 4.8325 4.8350 5.0347 5.0526 5.1600 5.1792 5.3352 5.3406 5.5254 5.5270 6.0267 6.0276 6.2376 6.2383 6.6552 6.6558 6.8914 6.8926 6.9535 6.9552 7.0930 7.0941 7.1693 7.1702 7.8197 7.8199 8.3703 8.3789 8.4070 8.4198 8.5240 8.5288 k = 0.5350-0.3822-0.2536 ( 10670 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4918 -5.4918 -4.9624 -4.9624 -4.5799 -4.5798 -4.2496 -4.2495 -4.1397 -4.1396 -4.1035 -4.1034 -1.2059 -1.2059 0.3833 0.3833 2.0144 2.0165 2.1644 2.1673 2.7549 2.7588 2.9409 2.9490 3.0107 3.0194 3.5482 3.5505 4.0728 4.0802 4.1196 4.1302 4.2335 4.2554 4.2777 4.2978 4.5970 4.5995 4.8173 4.8215 5.0291 5.0634 5.1472 5.1829 5.3426 5.3514 5.5198 5.5229 6.0154 6.0171 6.2395 6.2408 6.6584 6.6594 6.8894 6.8917 6.9556 6.9589 7.0904 7.0927 7.1696 7.1713 7.8226 7.8230 8.3451 8.3525 8.4152 8.4296 8.5281 8.5365 k = 0.5525-0.3675-0.2438 ( 10669 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4898 -5.4897 -4.9589 -4.9589 -4.5910 -4.5909 -4.2472 -4.2472 -4.1414 -4.1413 -4.1006 -4.1005 -1.2037 -1.2037 0.3861 0.3862 2.0112 2.0141 2.1745 2.1785 2.7467 2.7520 2.9328 2.9411 3.0324 3.0417 3.5513 3.5548 4.0672 4.0784 4.1136 4.1295 4.2283 4.2579 4.2750 4.3023 4.5910 4.5947 4.7954 4.8004 5.0252 5.0732 5.1343 5.1828 5.3547 5.3644 5.5121 5.5165 5.9974 5.9998 6.2432 6.2449 6.6634 6.6649 6.8870 6.8900 6.9593 6.9640 7.0868 7.0902 7.1705 7.1728 7.8273 7.8279 8.3149 8.3212 8.4203 8.4349 8.5354 8.5458 k = 0.5700-0.3527-0.2340 ( 10664 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4869 -5.4869 -4.9540 -4.9539 -4.6058 -4.6056 -4.2446 -4.2445 -4.1433 -4.1431 -4.0970 -4.0969 -1.2008 -1.2007 0.3900 0.3900 2.0078 2.0111 2.1878 2.1927 2.7370 2.7433 2.9279 2.9362 3.0560 3.0656 3.5552 3.5596 4.0598 4.0746 4.1067 4.1275 4.2242 4.2574 4.2755 4.3063 4.5825 4.5876 4.7694 4.7747 5.0217 5.0802 5.1228 5.1800 5.3674 5.3759 5.5043 5.5100 5.9735 5.9766 6.2486 6.2506 6.6695 6.6714 6.8844 6.8880 6.9641 6.9700 7.0825 7.0870 7.1717 7.1744 7.8335 7.8345 8.2809 8.2865 8.4233 8.4373 8.5445 8.5556 k = 0.5875-0.3380-0.2242 ( 10658 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4834 -5.4834 -4.9477 -4.9476 -4.6236 -4.6234 -4.2421 -4.2419 -4.1451 -4.1449 -4.0930 -4.0929 -1.1972 -1.1971 0.3948 0.3949 2.0043 2.0079 2.2035 2.2091 2.7268 2.7336 2.9261 2.9344 3.0807 3.0906 3.5591 3.5644 4.0508 4.0684 4.0995 4.1243 4.2213 4.2551 4.2782 4.3098 4.5711 4.5777 4.7415 4.7474 5.0179 5.0821 5.1148 5.1754 5.3746 5.3814 5.5001 5.5072 5.9449 5.9487 6.2557 6.2580 6.6763 6.6785 6.8819 6.8859 6.9692 6.9764 7.0779 7.0836 7.1732 7.1762 7.8411 7.8423 8.2442 8.2493 8.4256 8.4387 8.5540 8.5652 k = 0.6049-0.3232-0.2145 ( 10657 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4793 -5.4792 -4.9400 -4.9399 -4.6438 -4.6436 -4.2399 -4.2398 -4.1468 -4.1466 -4.0887 -4.0886 -1.1929 -1.1928 0.4006 0.4007 2.0010 2.0048 2.2207 2.2267 2.7170 2.7240 2.9276 2.9359 3.1061 3.1162 3.5620 3.5680 4.0400 4.0593 4.0928 4.1199 4.2198 4.2529 4.2815 4.3128 4.5565 4.5647 4.7139 4.7212 5.0130 5.0772 5.1117 5.1696 5.3694 5.3778 5.5037 5.5121 5.9128 5.9172 6.2643 6.2667 6.6830 6.6856 6.8796 6.8839 6.9742 6.9826 7.0734 7.0805 7.1750 7.1781 7.8495 7.8512 8.2057 8.2106 8.4278 8.4400 8.5636 8.5744 k = 0.6224-0.3085-0.2047 ( 10649 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4747 -5.4746 -4.9310 -4.9309 -4.6659 -4.6657 -4.2384 -4.2383 -4.1483 -4.1482 -4.0843 -4.0841 -1.1882 -1.1881 0.4072 0.4073 1.9980 2.0018 2.2383 2.2447 2.7084 2.7155 2.9323 2.9408 3.1317 3.1419 3.5629 3.5694 4.0278 4.0478 4.0868 4.1144 4.2194 4.2514 4.2852 4.3155 4.5382 4.5483 4.6886 4.6982 5.0069 5.0674 5.1111 5.1628 5.3515 5.3640 5.5158 5.5249 5.8786 5.8836 6.2742 6.2766 6.6894 6.6922 6.8776 6.8821 6.9787 6.9882 7.0696 7.0780 7.1769 7.1801 7.8585 7.8607 8.1665 8.1715 8.4306 8.4418 8.5731 8.5832 k = 0.6399-0.2937-0.1949 ( 10649 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8050 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4697 -5.4697 -4.9208 -4.9207 -4.6893 -4.6890 -4.2377 -4.2375 -4.1498 -4.1497 -4.0797 -4.0796 -1.1831 -1.1830 0.4145 0.4146 1.9953 1.9991 2.2553 2.2620 2.7020 2.7089 2.9405 2.9491 3.1571 3.1674 3.5609 3.5677 4.0145 4.0346 4.0813 4.1081 4.2200 4.2506 4.2892 4.3182 4.5165 4.5288 4.6671 4.6797 4.9993 5.0552 5.1096 5.1549 5.3255 5.3428 5.5332 5.5425 5.8434 5.8489 6.2849 6.2874 6.6952 6.6981 6.8758 6.8805 6.9822 6.9927 7.0668 7.0764 7.1789 7.1822 7.8675 7.8704 8.1280 8.1332 8.4340 8.4441 8.5828 8.5920 k = 0.6574-0.2790-0.1851 ( 10643 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8050 -35.8050 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4646 -5.4646 -4.9093 -4.9092 -4.7134 -4.7130 -4.2377 -4.2375 -4.1514 -4.1512 -4.0751 -4.0750 -1.1778 -1.1777 0.4223 0.4224 1.9929 1.9967 2.2707 2.2775 2.6984 2.7052 2.9524 2.9612 3.1818 3.1921 3.5549 3.5619 4.0006 4.0206 4.0760 4.1012 4.2211 4.2501 4.2938 4.3213 4.4923 4.5069 4.6499 4.6658 4.9897 5.0413 5.1049 5.1456 5.2958 5.3185 5.5528 5.5619 5.8082 5.8142 6.2963 6.2988 6.7002 6.7032 6.8742 6.8790 6.9844 6.9957 7.0653 7.0758 7.1810 7.1844 7.8757 7.8795 8.0914 8.0970 8.4377 8.4465 8.5932 8.6010 k = 0.6749-0.2642-0.1753 ( 10643 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8050 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4596 -5.4596 -4.8967 -4.8965 -4.7376 -4.7372 -4.2383 -4.2381 -4.1532 -4.1530 -4.0705 -4.0704 -1.1724 -1.1723 0.4306 0.4307 1.9909 1.9947 2.2834 2.2903 2.6980 2.7046 2.9682 2.9773 3.2056 3.2158 3.5446 3.5514 3.9866 4.0067 4.0707 4.0940 4.2218 4.2493 4.2987 4.3254 4.4672 4.4843 4.6371 4.6563 4.9774 5.0255 5.0949 5.1346 5.2666 5.2952 5.5721 5.5813 5.7741 5.7805 6.3082 6.3106 6.7044 6.7076 6.8728 6.8776 6.9855 6.9970 7.0651 7.0761 7.1833 7.1867 7.8819 7.8869 8.0586 8.0649 8.4414 8.4488 8.6042 8.6105 k = 0.6924-0.2495-0.1655 ( 10649 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4549 -5.4549 -4.8831 -4.8828 -4.7614 -4.7609 -4.2395 -4.2393 -4.1553 -4.1551 -4.0660 -4.0659 -1.1672 -1.1670 0.4391 0.4392 1.9892 1.9931 2.2925 2.2995 2.7009 2.7074 2.9883 2.9976 3.2276 3.2378 3.5298 3.5363 3.9729 3.9931 4.0653 4.0866 4.2216 4.2475 4.3028 4.3310 4.4430 4.4629 4.6285 4.6508 4.9617 5.0067 5.0790 5.1206 5.2425 5.2764 5.5891 5.5994 5.7419 5.7493 6.3203 6.3227 6.7080 6.7112 6.8713 6.8761 6.9854 6.9968 7.0660 7.0770 7.1856 7.1891 7.8841 7.8904 8.0323 8.0394 8.4447 8.4507 8.6155 8.6203 k = 0.7099-0.2347-0.1557 ( 10653 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4509 -5.4508 -4.8687 -4.8683 -4.7841 -4.7834 -4.2411 -4.2409 -4.1578 -4.1576 -4.0616 -4.0614 -1.1622 -1.1621 0.4477 0.4478 1.9879 1.9919 2.2976 2.3046 2.7068 2.7132 3.0127 3.0223 3.2471 3.2572 3.5114 3.5176 3.9596 3.9802 4.0597 4.0795 4.2198 4.2445 4.3045 4.3370 4.4218 4.4452 4.6239 4.6490 4.9415 4.9831 5.0597 5.1029 5.2268 5.2635 5.6008 5.6140 5.7136 5.7231 6.3326 6.3349 6.7109 6.7142 6.8698 6.8746 6.9845 6.9954 7.0674 7.0781 7.1881 7.1917 7.8802 7.8874 8.0157 8.0234 8.4473 8.4522 8.6260 8.6298 k = 0.7274-0.2200-0.1460 ( 10650 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4478 -5.4477 -4.8545 -4.8535 -4.8047 -4.8035 -4.2429 -4.2427 -4.1607 -4.1605 -4.0573 -4.0571 -1.1576 -1.1575 0.4562 0.4563 1.9869 1.9910 2.2986 2.3056 2.7150 2.7213 3.0414 3.0512 3.2624 3.2727 3.4914 3.4975 3.9467 3.9678 4.0539 4.0727 4.2162 4.2399 4.3022 4.3396 4.4070 4.4335 4.6233 4.6511 4.9163 4.9532 5.0409 5.0830 5.2194 5.2566 5.6022 5.6203 5.6938 5.7070 6.3449 6.3472 6.7134 6.7167 6.8682 6.8729 6.9831 6.9934 7.0690 7.0791 7.1908 7.1945 7.8697 7.8769 8.0102 8.0177 8.4491 8.4535 8.6344 8.6382 k = 0.7449-0.2052-0.1362 ( 10645 PWs) bands (ev): -64.7661 -64.7661 -64.7615 -64.7615 -36.8062 -36.8062 -36.8028 -36.8028 -35.8051 -35.8051 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4460 -5.4460 -4.8447 -4.8428 -4.8183 -4.8161 -4.2450 -4.2448 -4.1641 -4.1639 -4.0532 -4.0530 -1.1537 -1.1536 0.4645 0.4646 1.9863 1.9905 2.2958 2.3027 2.7244 2.7305 3.0738 3.0840 3.2714 3.2819 3.4732 3.4796 3.9341 3.9556 4.0480 4.0665 4.2108 4.2337 4.2947 4.3340 4.4022 4.4292 4.6269 4.6571 4.8869 4.9181 5.0252 5.0638 5.2182 5.2544 5.5905 5.6109 5.6897 5.7042 6.3572 6.3594 6.7154 6.7187 6.8665 6.8710 6.9813 6.9909 7.0702 7.0797 7.1935 7.1973 7.8548 7.8615 8.0137 8.0204 8.4499 8.4549 8.6392 8.6444 k = 0.7624-0.1905-0.1264 ( 10636 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8062 -36.8062 -36.8028 -36.8028 -35.8050 -35.8050 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4460 -5.4459 -4.8509 -4.8497 -4.8112 -4.8096 -4.2472 -4.2470 -4.1678 -4.1677 -4.0492 -4.0491 -1.1505 -1.1504 0.4723 0.4724 1.9859 1.9903 2.2896 2.2965 2.7339 2.7399 3.1085 3.1189 3.2715 3.2824 3.4617 3.4684 3.9215 3.9435 4.0420 4.0609 4.2039 4.2262 4.2828 4.3208 4.4051 4.4309 4.6341 4.6668 4.8561 4.8811 5.0125 5.0471 5.2206 5.2557 5.5696 5.5895 5.6977 5.7107 6.3695 6.3716 6.7171 6.7203 6.8645 6.8689 6.9794 6.9882 7.0710 7.0797 7.1963 7.2002 7.8388 7.8449 8.0227 8.0286 8.4501 8.4564 8.6396 8.6468 k = 0.7799-0.1757-0.1166 ( 10633 PWs) bands (ev): -64.7661 -64.7661 -64.7614 -64.7614 -36.8062 -36.8062 -36.8028 -36.8028 -35.8050 -35.8050 -35.8018 -35.8018 -35.7426 -35.7426 -35.7392 -35.7392 -5.4479 -5.4478 -4.8632 -4.8625 -4.7944 -4.7934 -4.2494 -4.2492 -4.1719 -4.1718 -4.0455 -4.0453 -1.1482 -1.1481 0.4795 0.4796 1.9856 1.9903 2.2806 2.2876 2.7424 2.7482 3.1414 3.1511 3.2642 3.2755 3.4605 3.4675 3.9086 3.9310 4.0363 4.0560 4.1956 4.2179 4.2689 4.3047 4.4105 4.4353 4.6432 4.6791 4.8283 4.8469 5.0025 5.0335 5.2249 5.2591 5.5454 5.5647 5.7098 5.7212 6.3815 6.3837 6.7184 6.7217 6.8624 6.8667 6.9775 6.9856 7.0712 7.0792 7.1989 7.2029 7.8244 7.8299 8.0345 8.0399 8.4496 8.4578 8.6349 8.6445 Writing output data file CrSiTe3.save init_run : 3.04s CPU 10.52s WALL ( 1 calls) electrons : 1891.65s CPU 1906.00s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.45s CPU 2.02s WALL ( 1 calls) Called by electrons: c_bands : 1891.58s CPU 1905.68s WALL ( 1 calls) v_of_rho : 0.10s CPU 0.96s WALL ( 1 calls) v_h : 0.01s CPU 0.03s WALL ( 1 calls) v_xc : 0.08s CPU 0.52s WALL ( 1 calls) newd : 0.97s CPU 1.23s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.16s CPU 0.26s WALL ( 204 calls) cegterg : 1785.35s CPU 1796.35s WALL ( 437 calls) Called by sum_band: Called by *egterg: h_psi : 1068.37s CPU 1077.34s WALL ( 6740 calls) s_psi : 65.64s CPU 65.80s WALL ( 6740 calls) g_psi : 1.83s CPU 1.87s WALL ( 6099 calls) cdiaghg : 447.28s CPU 446.33s WALL ( 6303 calls) cegterg:over : 133.00s CPU 132.26s WALL ( 6099 calls) cegterg:upda : 54.32s CPU 55.61s WALL ( 6099 calls) cegterg:last : 44.18s CPU 44.54s WALL ( 1266 calls) Called by h_psi: h_psi:vloc : 915.60s CPU 922.56s WALL ( 6740 calls) h_psi:vnl : 151.25s CPU 152.69s WALL ( 6740 calls) add_vuspsi : 60.54s CPU 62.18s WALL ( 6740 calls) General routines calbec : 90.65s CPU 90.39s WALL ( 6740 calls) fft : 0.21s CPU 1.13s WALL ( 19 calls) ffts : 0.01s CPU 0.31s WALL ( 4 calls) fftw : 761.77s CPU 755.32s WALL ( 1331948 calls) interpolate : 0.06s CPU 0.36s WALL ( 4 calls) davcio : 0.03s CPU 1.89s WALL ( 408 calls) Parallel routines fft_scatter : 438.18s CPU 434.30s WALL ( 1331971 calls) PWSCF : 32m55.70s CPU 35m32.19s WALL This run was terminated on: 2:37:16 29Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=