Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 13:28:22 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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 Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 61 61 16 2462 2462 345 Max 62 62 17 2467 2467 350 Sum 4393 4393 1185 177469 177469 24927 bravais-lattice index = 14 lattice parameter (alat) = 14.8933 a.u. unit-cell volume = 1834.4872 (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 = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.893302 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.630727 celldm(5)= 0.630727 celldm(6)= 0.630727 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.630727 0.776005 0.000000 ) a(3) = ( 0.630727 0.300140 0.715611 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.812787 -0.540484 ) b(2) = ( 0.000000 1.288652 -0.540484 ) b(3) = ( 0.000000 0.000000 1.397407 ) PseudoPot. # 1 for Cr read from file: /users/gautes/Pseudo/Cr.rel-pbe-oncvpsp.UPF MD5 check sum: 05b5af6f30ea3763d55f309fcccb1da3 Pseudo is Norm-conserving, Zval = 14.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1638 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 PseudoPot. # 2 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients 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) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 202 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049505 k( 2) = ( 0.0178571 -0.0145141 -0.0096515), wk = 0.0049505 k( 3) = ( 0.0357143 -0.0290281 -0.0193030), wk = 0.0049505 k( 4) = ( 0.0535714 -0.0435422 -0.0289545), wk = 0.0049505 k( 5) = ( 0.0714286 -0.0580562 -0.0386060), wk = 0.0049505 k( 6) = ( 0.0892857 -0.0725703 -0.0482575), wk = 0.0049505 k( 7) = ( 0.1071429 -0.0870843 -0.0579090), wk = 0.0049505 k( 8) = ( 0.1250000 -0.1015984 -0.0675605), wk = 0.0049505 k( 9) = ( 0.1428571 -0.1161124 -0.0772120), wk = 0.0049505 k( 10) = ( 0.1607143 -0.1306265 -0.0868635), wk = 0.0049505 k( 11) = ( 0.1785714 -0.1451405 -0.0965150), wk = 0.0049505 k( 12) = ( 0.1964286 -0.1596546 -0.1061665), wk = 0.0049505 k( 13) = ( 0.2142857 -0.1741686 -0.1158180), wk = 0.0049505 k( 14) = ( 0.2321429 -0.1886827 -0.1254695), wk = 0.0049505 k( 15) = ( 0.2500000 -0.2031968 -0.1351210), wk = 0.0049505 k( 16) = ( 0.2678571 -0.2177108 -0.1447725), wk = 0.0049505 k( 17) = ( 0.2857143 -0.2322249 -0.1544240), wk = 0.0049505 k( 18) = ( 0.3035714 -0.2467389 -0.1640755), wk = 0.0049505 k( 19) = ( 0.3214286 -0.2612530 -0.1737270), wk = 0.0049505 k( 20) = ( 0.3392857 -0.2757670 -0.1833785), wk = 0.0049505 k( 21) = ( 0.3571429 -0.2902811 -0.1930300), wk = 0.0049505 k( 22) = ( 0.3750000 -0.3047951 -0.2026815), wk = 0.0049505 k( 23) = ( 0.3928571 -0.3193092 -0.2123330), wk = 0.0049505 k( 24) = ( 0.4107143 -0.3338233 -0.2219845), wk = 0.0049505 k( 25) = ( 0.4285714 -0.3483373 -0.2316360), wk = 0.0049505 k( 26) = ( 0.4464286 -0.3628514 -0.2412875), wk = 0.0049505 k( 27) = ( 0.4642857 -0.3773654 -0.2509390), wk = 0.0049505 k( 28) = ( 0.4821429 -0.3918795 -0.2605906), wk = 0.0049505 k( 29) = ( 0.5000000 -0.4063935 -0.2702421), wk = 0.0049505 k( 30) = ( 0.5000000 -0.4063935 -0.2702421), wk = 0.0049505 k( 31) = ( 0.5000000 -0.3928261 -0.2906450), wk = 0.0049505 k( 32) = ( 0.5000000 -0.3792586 -0.3110479), wk = 0.0049505 k( 33) = ( 0.5000000 -0.3656911 -0.3314508), wk = 0.0049505 k( 34) = ( 0.5000000 -0.3521237 -0.3518537), wk = 0.0049505 k( 35) = ( 0.5000000 -0.3385562 -0.3722567), wk = 0.0049505 k( 36) = ( 0.5000000 -0.3249888 -0.3926596), wk = 0.0049505 k( 37) = ( 0.5000000 -0.3114213 -0.4130625), wk = 0.0049505 k( 38) = ( 0.5000000 -0.2978538 -0.4334654), wk = 0.0049505 k( 39) = ( 0.5000000 -0.2842864 -0.4538683), wk = 0.0049505 k( 40) = ( 0.5000000 -0.2707189 -0.4742713), wk = 0.0049505 k( 41) = ( 0.5000000 -0.2571515 -0.4946742), wk = 0.0049505 k( 42) = ( 0.5000000 -0.2435840 -0.5150771), wk = 0.0049505 k( 43) = ( 0.5000000 -0.2300165 -0.5354800), wk = 0.0049505 k( 44) = ( 0.5000000 -0.2164491 -0.5558830), wk = 0.0049505 k( 45) = ( 0.5000000 -0.2028816 -0.5762859), wk = 0.0049505 k( 46) = ( 0.5000000 -0.1893142 -0.5966888), wk = 0.0049505 k( 47) = ( 0.5000000 -0.1757467 -0.6170917), wk = 0.0049505 k( 48) = ( 0.5000000 -0.1621792 -0.6374947), wk = 0.0049505 k( 49) = ( 0.5000000 -0.1486118 -0.6578976), wk = 0.0049505 k( 50) = ( 0.5000000 -0.1350443 -0.6783005), wk = 0.0049505 k( 51) = ( 0.5000000 -0.1214769 -0.6987034), wk = 0.0049505 k( 52) = ( 0.7789033 0.0112433 -0.3822648), wk = 0.0049505 k( 53) = ( 0.7681762 0.0199621 -0.3614770), wk = 0.0049505 k( 54) = ( 0.7574492 0.0286809 -0.3406891), wk = 0.0049505 k( 55) = ( 0.7467221 0.0373997 -0.3199013), wk = 0.0049505 k( 56) = ( 0.7359951 0.0461185 -0.2991134), wk = 0.0049505 k( 57) = ( 0.7252680 0.0548373 -0.2783256), wk = 0.0049505 k( 58) = ( 0.7145410 0.0635561 -0.2575377), wk = 0.0049505 k( 59) = ( 0.7038139 0.0722749 -0.2367498), wk = 0.0049505 k( 60) = ( 0.6930869 0.0809937 -0.2159620), wk = 0.0049505 k( 61) = ( 0.6823598 0.0897125 -0.1951742), wk = 0.0049505 k( 62) = ( 0.6716328 0.0984313 -0.1743863), wk = 0.0049505 k( 63) = ( 0.6609057 0.1071502 -0.1535985), wk = 0.0049505 k( 64) = ( 0.6501787 0.1158690 -0.1328106), wk = 0.0049505 k( 65) = ( 0.6394516 0.1245878 -0.1120227), wk = 0.0049505 k( 66) = ( 0.6287246 0.1333066 -0.0912349), wk = 0.0049505 k( 67) = ( 0.6179975 0.1420254 -0.0704471), wk = 0.0049505 k( 68) = ( 0.6072705 0.1507442 -0.0496592), wk = 0.0049505 k( 69) = ( 0.5965434 0.1594630 -0.0288714), wk = 0.0049505 k( 70) = ( 0.5858164 0.1681818 -0.0080835), wk = 0.0049505 k( 71) = ( 0.5750893 0.1769006 0.0127044), wk = 0.0049505 k( 72) = ( 0.5643623 0.1856194 0.0334922), wk = 0.0049505 k( 73) = ( 0.5536352 0.1943382 0.0542801), wk = 0.0049505 k( 74) = ( 0.5429082 0.2030570 0.0750679), wk = 0.0049505 k( 75) = ( 0.5321811 0.2117758 0.0958557), wk = 0.0049505 k( 76) = ( 0.5214541 0.2204946 0.1166436), wk = 0.0049505 k( 77) = ( 0.5107270 0.2292134 0.1374315), wk = 0.0049505 k( 78) = ( 0.5000000 0.2379322 0.1582193), wk = 0.0049505 k( 79) = ( 0.5000000 0.2379322 0.1582193), wk = 0.0049505 k( 80) = ( 0.4782609 0.2275874 0.1513402), wk = 0.0049505 k( 81) = ( 0.4565217 0.2172425 0.1444611), wk = 0.0049505 k( 82) = ( 0.4347826 0.2068976 0.1375820), wk = 0.0049505 k( 83) = ( 0.4130435 0.1965527 0.1307029), wk = 0.0049505 k( 84) = ( 0.3913044 0.1862078 0.1238238), wk = 0.0049505 k( 85) = ( 0.3695652 0.1758630 0.1169447), wk = 0.0049505 k( 86) = ( 0.3478261 0.1655181 0.1100656), wk = 0.0049505 k( 87) = ( 0.3260870 0.1551732 0.1031865), wk = 0.0049505 k( 88) = ( 0.3043478 0.1448283 0.0963074), wk = 0.0049505 k( 89) = ( 0.2826087 0.1344834 0.0894283), wk = 0.0049505 k( 90) = ( 0.2608696 0.1241386 0.0825492), wk = 0.0049505 k( 91) = ( 0.2391304 0.1137937 0.0756701), wk = 0.0049505 k( 92) = ( 0.2173913 0.1034488 0.0687910), wk = 0.0049505 k( 93) = ( 0.1956522 0.0931039 0.0619119), wk = 0.0049505 k( 94) = ( 0.1739130 0.0827590 0.0550328), wk = 0.0049505 k( 95) = ( 0.1521739 0.0724142 0.0481537), wk = 0.0049505 k( 96) = ( 0.1304348 0.0620693 0.0412746), wk = 0.0049505 k( 97) = ( 0.1086957 0.0517244 0.0343955), wk = 0.0049505 k( 98) = ( 0.0869565 0.0413795 0.0275164), wk = 0.0049505 k( 99) = ( 0.0652174 0.0310346 0.0206373), wk = 0.0049505 k( 100) = ( 0.0434783 0.0206898 0.0137582), wk = 0.0049505 k( 101) = ( 0.0217391 0.0103449 0.0068791), wk = 0.0049505 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049505 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049505 k( 104) = ( 0.0106044 -0.0086191 -0.0205501), wk = 0.0049505 k( 105) = ( 0.0212087 -0.0172382 -0.0411002), wk = 0.0049505 k( 106) = ( 0.0318131 -0.0258573 -0.0616503), wk = 0.0049505 k( 107) = ( 0.0424175 -0.0344764 -0.0822004), wk = 0.0049505 k( 108) = ( 0.0530218 -0.0430954 -0.1027505), wk = 0.0049505 k( 109) = ( 0.0636262 -0.0517145 -0.1233006), wk = 0.0049505 k( 110) = ( 0.0742306 -0.0603336 -0.1438507), wk = 0.0049505 k( 111) = ( 0.0848349 -0.0689527 -0.1644008), wk = 0.0049505 k( 112) = ( 0.0954393 -0.0775718 -0.1849509), wk = 0.0049505 k( 113) = ( 0.1060436 -0.0861909 -0.2055010), wk = 0.0049505 k( 114) = ( 0.1166480 -0.0948100 -0.2260511), wk = 0.0049505 k( 115) = ( 0.1272524 -0.1034291 -0.2466012), wk = 0.0049505 k( 116) = ( 0.1378567 -0.1120482 -0.2671513), wk = 0.0049505 k( 117) = ( 0.1484611 -0.1206672 -0.2877014), wk = 0.0049505 k( 118) = ( 0.1590655 -0.1292863 -0.3082515), wk = 0.0049505 k( 119) = ( 0.1696698 -0.1379054 -0.3288016), wk = 0.0049505 k( 120) = ( 0.1802742 -0.1465245 -0.3493517), wk = 0.0049505 k( 121) = ( 0.1908786 -0.1551436 -0.3699018), wk = 0.0049505 k( 122) = ( 0.2014829 -0.1637627 -0.3904519), wk = 0.0049505 k( 123) = ( 0.2120873 -0.1723818 -0.4110020), wk = 0.0049505 k( 124) = ( 0.2226916 -0.1810009 -0.4315521), wk = 0.0049505 k( 125) = ( 0.2332960 -0.1896200 -0.4521022), wk = 0.0049505 k( 126) = ( 0.2439004 -0.1982391 -0.4726523), wk = 0.0049505 k( 127) = ( 0.2545047 -0.2068581 -0.4932024), wk = 0.0049505 k( 128) = ( 0.2651091 -0.2154772 -0.5137525), wk = 0.0049505 k( 129) = ( 0.2757135 -0.2240963 -0.5343026), wk = 0.0049505 k( 130) = ( 0.2863178 -0.2327154 -0.5548527), wk = 0.0049505 k( 131) = ( 0.2969222 -0.2413345 -0.5754028), wk = 0.0049505 k( 132) = ( 0.3075266 -0.2499536 -0.5959529), wk = 0.0049505 k( 133) = ( 0.3181309 -0.2585727 -0.6165030), wk = 0.0049505 k( 134) = ( 0.3287353 -0.2671918 -0.6370531), wk = 0.0049505 k( 135) = ( 0.3393396 -0.2758109 -0.6576032), wk = 0.0049505 k( 136) = ( 0.3499440 -0.2844299 -0.6781533), wk = 0.0049505 k( 137) = ( 0.3605484 -0.2930490 -0.6987034), wk = 0.0049505 k( 138) = ( 0.6394516 -0.0551168 -0.5404841), wk = 0.0049505 k( 139) = ( 0.6287246 -0.0325745 -0.5404841), wk = 0.0049505 k( 140) = ( 0.6179975 -0.0100323 -0.5404841), wk = 0.0049505 k( 141) = ( 0.6072705 0.0125099 -0.5404841), wk = 0.0049505 k( 142) = ( 0.5965434 0.0350521 -0.5404841), wk = 0.0049505 k( 143) = ( 0.5858164 0.0575944 -0.5404841), wk = 0.0049505 k( 144) = ( 0.5750893 0.0801366 -0.5404841), wk = 0.0049505 k( 145) = ( 0.5643623 0.1026788 -0.5404841), wk = 0.0049505 k( 146) = ( 0.5536352 0.1252211 -0.5404841), wk = 0.0049505 k( 147) = ( 0.5429082 0.1477633 -0.5404841), wk = 0.0049505 k( 148) = ( 0.5321811 0.1703055 -0.5404841), wk = 0.0049505 k( 149) = ( 0.5214541 0.1928478 -0.5404841), wk = 0.0049505 k( 150) = ( 0.5107270 0.2153900 -0.5404841), wk = 0.0049505 k( 151) = ( 0.5000000 0.2379322 -0.5404841), wk = 0.0049505 k( 152) = ( 0.5000000 0.2379322 -0.5404841), wk = 0.0049505 k( 153) = ( 0.5154946 0.2453056 -0.5229042), wk = 0.0049505 k( 154) = ( 0.5309892 0.2526789 -0.5053243), wk = 0.0049505 k( 155) = ( 0.5464839 0.2600523 -0.4877443), wk = 0.0049505 k( 156) = ( 0.5619785 0.2674256 -0.4701644), wk = 0.0049505 k( 157) = ( 0.5774731 0.2747990 -0.4525845), wk = 0.0049505 k( 158) = ( 0.5929678 0.2821723 -0.4350046), wk = 0.0049505 k( 159) = ( 0.6084624 0.2895456 -0.4174246), wk = 0.0049505 k( 160) = ( 0.6239570 0.2969190 -0.3998447), wk = 0.0049505 k( 161) = ( 0.6394516 0.3042923 -0.3822648), wk = 0.0049505 k( 162) = ( 0.6394516 0.3042923 -0.3822648), wk = 0.0049505 k( 163) = ( 0.6333885 0.3014071 -0.3587655), wk = 0.0049505 k( 164) = ( 0.6273254 0.2985219 -0.3352662), wk = 0.0049505 k( 165) = ( 0.6212623 0.2956367 -0.3117669), wk = 0.0049505 k( 166) = ( 0.6151992 0.2927514 -0.2882676), wk = 0.0049505 k( 167) = ( 0.6091361 0.2898662 -0.2647683), wk = 0.0049505 k( 168) = ( 0.6030730 0.2869810 -0.2412690), wk = 0.0049505 k( 169) = ( 0.5970098 0.2840958 -0.2177696), wk = 0.0049505 k( 170) = ( 0.5909467 0.2812106 -0.1942703), wk = 0.0049505 k( 171) = ( 0.5848836 0.2783253 -0.1707710), wk = 0.0049505 k( 172) = ( 0.5788205 0.2754401 -0.1472717), wk = 0.0049505 k( 173) = ( 0.5727574 0.2725549 -0.1237724), wk = 0.0049505 k( 174) = ( 0.5666943 0.2696697 -0.1002731), wk = 0.0049505 k( 175) = ( 0.5606311 0.2667845 -0.0767738), wk = 0.0049505 k( 176) = ( 0.5545680 0.2638992 -0.0532745), wk = 0.0049505 k( 177) = ( 0.5485049 0.2610140 -0.0297752), wk = 0.0049505 k( 178) = ( 0.5424418 0.2581288 -0.0062759), wk = 0.0049505 k( 179) = ( 0.5363787 0.2552436 0.0172235), wk = 0.0049505 k( 180) = ( 0.5303156 0.2523584 0.0407228), wk = 0.0049505 k( 181) = ( 0.5242525 0.2494731 0.0642221), wk = 0.0049505 k( 182) = ( 0.5181893 0.2465879 0.0877214), wk = 0.0049505 k( 183) = ( 0.5121262 0.2437027 0.1112207), wk = 0.0049505 k( 184) = ( 0.5060631 0.2408175 0.1347200), wk = 0.0049505 k( 185) = ( 0.5000000 0.2379322 0.1582193), wk = 0.0049505 k( 186) = ( 0.5000000 -0.4063935 -0.2702421), wk = 0.0049505 k( 187) = ( 0.5174315 -0.3915228 -0.2603533), wk = 0.0049505 k( 188) = ( 0.5348629 -0.3766520 -0.2504646), wk = 0.0049505 k( 189) = ( 0.5522944 -0.3617812 -0.2405759), wk = 0.0049505 k( 190) = ( 0.5697258 -0.3469105 -0.2306872), wk = 0.0049505 k( 191) = ( 0.5871573 -0.3320397 -0.2207985), wk = 0.0049505 k( 192) = ( 0.6045887 -0.3171689 -0.2109098), wk = 0.0049505 k( 193) = ( 0.6220202 -0.3022982 -0.2010211), wk = 0.0049505 k( 194) = ( 0.6394516 -0.2874274 -0.1911324), wk = 0.0049505 k( 195) = ( 0.6568831 -0.2725566 -0.1812437), wk = 0.0049505 k( 196) = ( 0.6743145 -0.2576859 -0.1713550), wk = 0.0049505 k( 197) = ( 0.6917460 -0.2428151 -0.1614663), wk = 0.0049505 k( 198) = ( 0.7091774 -0.2279443 -0.1515776), wk = 0.0049505 k( 199) = ( 0.7266089 -0.2130736 -0.1416889), wk = 0.0049505 k( 200) = ( 0.7440404 -0.1982028 -0.1318002), wk = 0.0049505 k( 201) = ( 0.7614718 -0.1833320 -0.1219115), wk = 0.0049505 k( 202) = ( 0.7789033 -0.1684613 -0.1120228), wk = 0.0049505 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049505 k( 2) = ( 0.0178571 0.0000000 0.0000000), wk = 0.0049505 k( 3) = ( 0.0357143 0.0000000 0.0000000), wk = 0.0049505 k( 4) = ( 0.0535714 0.0000000 0.0000000), wk = 0.0049505 k( 5) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0049505 k( 6) = ( 0.0892857 0.0000000 0.0000000), wk = 0.0049505 k( 7) = ( 0.1071429 0.0000000 0.0000000), wk = 0.0049505 k( 8) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0049505 k( 9) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0049505 k( 10) = ( 0.1607143 -0.0000000 0.0000000), wk = 0.0049505 k( 11) = ( 0.1785714 0.0000000 0.0000000), wk = 0.0049505 k( 12) = ( 0.1964286 -0.0000000 0.0000000), wk = 0.0049505 k( 13) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0049505 k( 14) = ( 0.2321429 0.0000000 0.0000000), wk = 0.0049505 k( 15) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0049505 k( 16) = ( 0.2678571 0.0000000 0.0000000), wk = 0.0049505 k( 17) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0049505 k( 18) = ( 0.3035714 0.0000000 0.0000000), wk = 0.0049505 k( 19) = ( 0.3214286 0.0000000 0.0000000), wk = 0.0049505 k( 20) = ( 0.3392857 0.0000000 0.0000000), wk = 0.0049505 k( 21) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0049505 k( 22) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0049505 k( 23) = ( 0.3928571 -0.0000000 0.0000000), wk = 0.0049505 k( 24) = ( 0.4107143 0.0000000 0.0000000), wk = 0.0049505 k( 25) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0049505 k( 26) = ( 0.4464286 0.0000000 0.0000000), wk = 0.0049505 k( 27) = ( 0.4642857 0.0000000 0.0000000), wk = 0.0049505 k( 28) = ( 0.4821429 0.0000000 0.0000000), wk = 0.0049505 k( 29) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0049505 k( 30) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0049505 k( 31) = ( 0.5000000 0.0105284 -0.0105284), wk = 0.0049505 k( 32) = ( 0.5000000 0.0210568 -0.0210568), wk = 0.0049505 k( 33) = ( 0.5000000 0.0315853 -0.0315852), wk = 0.0049505 k( 34) = ( 0.5000000 0.0421137 -0.0421137), wk = 0.0049505 k( 35) = ( 0.5000000 0.0526421 -0.0526421), wk = 0.0049505 k( 36) = ( 0.5000000 0.0631705 -0.0631705), wk = 0.0049505 k( 37) = ( 0.5000000 0.0736989 -0.0736989), wk = 0.0049505 k( 38) = ( 0.5000000 0.0842273 -0.0842273), wk = 0.0049505 k( 39) = ( 0.5000000 0.0947557 -0.0947557), wk = 0.0049505 k( 40) = ( 0.5000000 0.1052842 -0.1052842), wk = 0.0049505 k( 41) = ( 0.5000000 0.1158126 -0.1158126), wk = 0.0049505 k( 42) = ( 0.5000000 0.1263410 -0.1263410), wk = 0.0049505 k( 43) = ( 0.5000000 0.1368694 -0.1368694), wk = 0.0049505 k( 44) = ( 0.5000000 0.1473978 -0.1473978), wk = 0.0049505 k( 45) = ( 0.5000000 0.1579262 -0.1579262), wk = 0.0049505 k( 46) = ( 0.5000000 0.1684547 -0.1684547), wk = 0.0049505 k( 47) = ( 0.5000000 0.1789831 -0.1789831), wk = 0.0049505 k( 48) = ( 0.5000000 0.1895115 -0.1895115), wk = 0.0049505 k( 49) = ( 0.5000000 0.2000399 -0.2000399), wk = 0.0049505 k( 50) = ( 0.5000000 0.2105683 -0.2105683), wk = 0.0049505 k( 51) = ( 0.5000000 0.2210967 -0.2210967), wk = 0.0049505 k( 52) = ( 0.7789033 0.5000000 0.2210967), wk = 0.0049505 k( 53) = ( 0.7681762 0.5000000 0.2318238), wk = 0.0049505 k( 54) = ( 0.7574492 0.5000000 0.2425508), wk = 0.0049505 k( 55) = ( 0.7467221 0.5000000 0.2532779), wk = 0.0049505 k( 56) = ( 0.7359951 0.5000000 0.2640049), wk = 0.0049505 k( 57) = ( 0.7252680 0.5000000 0.2747320), wk = 0.0049505 k( 58) = ( 0.7145410 0.5000000 0.2854590), wk = 0.0049505 k( 59) = ( 0.7038139 0.5000000 0.2961861), wk = 0.0049505 k( 60) = ( 0.6930869 0.5000000 0.3069131), wk = 0.0049505 k( 61) = ( 0.6823598 0.5000000 0.3176402), wk = 0.0049505 k( 62) = ( 0.6716328 0.5000000 0.3283672), wk = 0.0049505 k( 63) = ( 0.6609057 0.5000000 0.3390943), wk = 0.0049505 k( 64) = ( 0.6501787 0.5000000 0.3498213), wk = 0.0049505 k( 65) = ( 0.6394516 0.5000000 0.3605484), wk = 0.0049505 k( 66) = ( 0.6287246 0.5000000 0.3712754), wk = 0.0049505 k( 67) = ( 0.6179975 0.5000000 0.3820025), wk = 0.0049505 k( 68) = ( 0.6072705 0.5000000 0.3927295), wk = 0.0049505 k( 69) = ( 0.5965434 0.5000000 0.4034566), wk = 0.0049505 k( 70) = ( 0.5858164 0.5000000 0.4141836), wk = 0.0049505 k( 71) = ( 0.5750893 0.5000000 0.4249107), wk = 0.0049505 k( 72) = ( 0.5643623 0.5000000 0.4356377), wk = 0.0049505 k( 73) = ( 0.5536352 0.5000000 0.4463648), wk = 0.0049505 k( 74) = ( 0.5429082 0.5000000 0.4570918), wk = 0.0049505 k( 75) = ( 0.5321811 0.5000000 0.4678189), wk = 0.0049505 k( 76) = ( 0.5214541 0.5000000 0.4785459), wk = 0.0049505 k( 77) = ( 0.5107270 0.5000000 0.4892729), wk = 0.0049505 k( 78) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0049505 k( 79) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0049505 k( 80) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0049505 k( 81) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0049505 k( 82) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0049505 k( 83) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0049505 k( 84) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0049505 k( 85) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0049505 k( 86) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0049505 k( 87) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0049505 k( 88) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0049505 k( 89) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0049505 k( 90) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0049505 k( 91) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0049505 k( 92) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0049505 k( 93) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0049505 k( 94) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0049505 k( 95) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0049505 k( 96) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0049505 k( 97) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0049505 k( 98) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0049505 k( 99) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0049505 k( 100) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0049505 k( 101) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0049505 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049505 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049505 k( 104) = ( 0.0106044 0.0000000 -0.0106044), wk = 0.0049505 k( 105) = ( 0.0212087 0.0000000 -0.0212087), wk = 0.0049505 k( 106) = ( 0.0318131 -0.0000000 -0.0318131), wk = 0.0049505 k( 107) = ( 0.0424175 0.0000000 -0.0424175), wk = 0.0049505 k( 108) = ( 0.0530218 0.0000000 -0.0530218), wk = 0.0049505 k( 109) = ( 0.0636262 -0.0000000 -0.0636262), wk = 0.0049505 k( 110) = ( 0.0742306 0.0000000 -0.0742305), wk = 0.0049505 k( 111) = ( 0.0848349 0.0000000 -0.0848349), wk = 0.0049505 k( 112) = ( 0.0954393 0.0000000 -0.0954393), wk = 0.0049505 k( 113) = ( 0.1060436 0.0000000 -0.1060436), wk = 0.0049505 k( 114) = ( 0.1166480 0.0000000 -0.1166480), wk = 0.0049505 k( 115) = ( 0.1272524 -0.0000000 -0.1272524), wk = 0.0049505 k( 116) = ( 0.1378567 0.0000000 -0.1378567), wk = 0.0049505 k( 117) = ( 0.1484611 -0.0000000 -0.1484611), wk = 0.0049505 k( 118) = ( 0.1590655 0.0000000 -0.1590655), wk = 0.0049505 k( 119) = ( 0.1696698 0.0000000 -0.1696698), wk = 0.0049505 k( 120) = ( 0.1802742 0.0000000 -0.1802742), wk = 0.0049505 k( 121) = ( 0.1908786 0.0000000 -0.1908786), wk = 0.0049505 k( 122) = ( 0.2014829 0.0000000 -0.2014829), wk = 0.0049505 k( 123) = ( 0.2120873 0.0000000 -0.2120873), wk = 0.0049505 k( 124) = ( 0.2226916 -0.0000000 -0.2226916), wk = 0.0049505 k( 125) = ( 0.2332960 0.0000000 -0.2332960), wk = 0.0049505 k( 126) = ( 0.2439004 -0.0000000 -0.2439004), wk = 0.0049505 k( 127) = ( 0.2545047 0.0000000 -0.2545047), wk = 0.0049505 k( 128) = ( 0.2651091 0.0000000 -0.2651091), wk = 0.0049505 k( 129) = ( 0.2757135 0.0000000 -0.2757135), wk = 0.0049505 k( 130) = ( 0.2863178 0.0000000 -0.2863178), wk = 0.0049505 k( 131) = ( 0.2969222 -0.0000000 -0.2969222), wk = 0.0049505 k( 132) = ( 0.3075266 0.0000000 -0.3075266), wk = 0.0049505 k( 133) = ( 0.3181309 0.0000000 -0.3181309), wk = 0.0049505 k( 134) = ( 0.3287353 0.0000000 -0.3287353), wk = 0.0049505 k( 135) = ( 0.3393396 0.0000000 -0.3393396), wk = 0.0049505 k( 136) = ( 0.3499440 0.0000000 -0.3499440), wk = 0.0049505 k( 137) = ( 0.3605484 -0.0000000 -0.3605484), wk = 0.0049505 k( 138) = ( 0.6394516 0.3605484 0.0000000), wk = 0.0049505 k( 139) = ( 0.6287246 0.3712754 0.0000000), wk = 0.0049505 k( 140) = ( 0.6179975 0.3820025 -0.0000000), wk = 0.0049505 k( 141) = ( 0.6072705 0.3927295 0.0000000), wk = 0.0049505 k( 142) = ( 0.5965434 0.4034566 0.0000000), wk = 0.0049505 k( 143) = ( 0.5858164 0.4141836 -0.0000000), wk = 0.0049505 k( 144) = ( 0.5750893 0.4249107 0.0000000), wk = 0.0049505 k( 145) = ( 0.5643623 0.4356377 0.0000000), wk = 0.0049505 k( 146) = ( 0.5536352 0.4463648 -0.0000000), wk = 0.0049505 k( 147) = ( 0.5429082 0.4570918 -0.0000000), wk = 0.0049505 k( 148) = ( 0.5321811 0.4678189 0.0000000), wk = 0.0049505 k( 149) = ( 0.5214541 0.4785459 0.0000000), wk = 0.0049505 k( 150) = ( 0.5107270 0.4892729 -0.0000000), wk = 0.0049505 k( 151) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0049505 k( 152) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0049505 k( 153) = ( 0.5154946 0.5154946 0.0245663), wk = 0.0049505 k( 154) = ( 0.5309892 0.5309892 0.0491326), wk = 0.0049505 k( 155) = ( 0.5464839 0.5464839 0.0736989), wk = 0.0049505 k( 156) = ( 0.5619785 0.5619785 0.0982652), wk = 0.0049505 k( 157) = ( 0.5774731 0.5774731 0.1228315), wk = 0.0049505 k( 158) = ( 0.5929678 0.5929678 0.1473978), wk = 0.0049505 k( 159) = ( 0.6084624 0.6084624 0.1719641), wk = 0.0049505 k( 160) = ( 0.6239570 0.6239570 0.1965304), wk = 0.0049505 k( 161) = ( 0.6394516 0.6394516 0.2210967), wk = 0.0049505 k( 162) = ( 0.6394516 0.6394516 0.2210967), wk = 0.0049505 k( 163) = ( 0.6333885 0.6333885 0.2332230), wk = 0.0049505 k( 164) = ( 0.6273254 0.6273254 0.2453492), wk = 0.0049505 k( 165) = ( 0.6212623 0.6212623 0.2574754), wk = 0.0049505 k( 166) = ( 0.6151992 0.6151992 0.2696017), wk = 0.0049505 k( 167) = ( 0.6091361 0.6091361 0.2817279), wk = 0.0049505 k( 168) = ( 0.6030730 0.6030730 0.2938541), wk = 0.0049505 k( 169) = ( 0.5970098 0.5970098 0.3059803), wk = 0.0049505 k( 170) = ( 0.5909467 0.5909467 0.3181066), wk = 0.0049505 k( 171) = ( 0.5848836 0.5848836 0.3302328), wk = 0.0049505 k( 172) = ( 0.5788205 0.5788205 0.3423590), wk = 0.0049505 k( 173) = ( 0.5727574 0.5727574 0.3544852), wk = 0.0049505 k( 174) = ( 0.5666943 0.5666943 0.3666115), wk = 0.0049505 k( 175) = ( 0.5606311 0.5606311 0.3787377), wk = 0.0049505 k( 176) = ( 0.5545680 0.5545680 0.3908639), wk = 0.0049505 k( 177) = ( 0.5485049 0.5485049 0.4029902), wk = 0.0049505 k( 178) = ( 0.5424418 0.5424418 0.4151164), wk = 0.0049505 k( 179) = ( 0.5363787 0.5363787 0.4272426), wk = 0.0049505 k( 180) = ( 0.5303156 0.5303156 0.4393689), wk = 0.0049505 k( 181) = ( 0.5242525 0.5242525 0.4514951), wk = 0.0049505 k( 182) = ( 0.5181893 0.5181893 0.4636213), wk = 0.0049505 k( 183) = ( 0.5121262 0.5121262 0.4757475), wk = 0.0049505 k( 184) = ( 0.5060631 0.5060631 0.4878738), wk = 0.0049505 k( 185) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0049505 k( 186) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0049505 k( 187) = ( 0.5174315 0.0225343 0.0225343), wk = 0.0049505 k( 188) = ( 0.5348629 0.0450686 0.0450686), wk = 0.0049505 k( 189) = ( 0.5522944 0.0676028 0.0676028), wk = 0.0049505 k( 190) = ( 0.5697258 0.0901371 0.0901371), wk = 0.0049505 k( 191) = ( 0.5871573 0.1126714 0.1126714), wk = 0.0049505 k( 192) = ( 0.6045887 0.1352056 0.1352056), wk = 0.0049505 k( 193) = ( 0.6220202 0.1577399 0.1577399), wk = 0.0049505 k( 194) = ( 0.6394516 0.1802742 0.1802742), wk = 0.0049505 k( 195) = ( 0.6568831 0.2028085 0.2028085), wk = 0.0049505 k( 196) = ( 0.6743145 0.2253427 0.2253427), wk = 0.0049505 k( 197) = ( 0.6917460 0.2478770 0.2478770), wk = 0.0049505 k( 198) = ( 0.7091774 0.2704113 0.2704113), wk = 0.0049505 k( 199) = ( 0.7266089 0.2929455 0.2929456), wk = 0.0049505 k( 200) = ( 0.7440404 0.3154798 0.3154798), wk = 0.0049505 k( 201) = ( 0.7614718 0.3380141 0.3380141), wk = 0.0049505 k( 202) = ( 0.7789033 0.3605484 0.3605484), wk = 0.0049505 Dense grid: 177469 G-vectors FFT dimensions: ( 90, 90, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.84 Mb ( 638, 86) NL pseudopotentials 1.65 Mb ( 319, 340) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.02 Mb ( 2462) G-vector shells 0.02 Mb ( 2206) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.35 Mb ( 638, 344) Each subspace H/S matrix 0.05 Mb ( 57, 57) Each matrix 0.89 Mb ( 340, 2, 86) 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 5.3 secs Computing kpt #: 2 total cpu time spent up to now is 8.4 secs Computing kpt #: 3 total cpu time spent up to now is 12.3 secs Computing kpt #: 4 total cpu time spent up to now is 15.4 secs Computing kpt #: 5 total cpu time spent up to now is 19.1 secs Computing kpt #: 6 total cpu time spent up to now is 22.7 secs Computing kpt #: 7 total cpu time spent up to now is 26.4 secs Computing kpt #: 8 total cpu time spent up to now is 30.0 secs Computing kpt #: 9 total cpu time spent up to now is 33.6 secs Computing kpt #: 10 total cpu time spent up to now is 37.2 secs Computing kpt #: 11 total cpu time spent up to now is 40.8 secs Computing kpt #: 12 total cpu time spent up to now is 43.8 secs Computing kpt #: 13 total cpu time spent up to now is 47.5 secs Computing kpt #: 14 total cpu time spent up to now is 50.4 secs Computing kpt #: 15 total cpu time spent up to now is 54.0 secs Computing kpt #: 16 total cpu time spent up to now is 57.6 secs Computing kpt #: 17 total cpu time spent up to now is 61.2 secs Computing kpt #: 18 total cpu time spent up to now is 64.1 secs Computing kpt #: 19 total cpu time spent up to now is 67.1 secs Computing kpt #: 20 total cpu time spent up to now is 70.1 secs Computing kpt #: 21 total cpu time spent up to now is 73.2 secs Computing kpt #: 22 total cpu time spent up to now is 76.2 secs Computing kpt #: 23 total cpu time spent up to now is 79.7 secs Computing kpt #: 24 total cpu time spent up to now is 83.3 secs Computing kpt #: 25 total cpu time spent up to now is 86.4 secs Computing kpt #: 26 total cpu time spent up to now is 89.6 secs Computing kpt #: 27 total cpu time spent up to now is 93.2 secs Computing kpt #: 28 total cpu time spent up to now is 96.8 secs Computing kpt #: 29 total cpu time spent up to now is 100.4 secs Computing kpt #: 30 total cpu time spent up to now is 104.2 secs Computing kpt #: 31 total cpu time spent up to now is 107.8 secs Computing kpt #: 32 total cpu time spent up to now is 111.4 secs Computing kpt #: 33 total cpu time spent up to now is 115.2 secs Computing kpt #: 34 total cpu time spent up to now is 118.8 secs Computing kpt #: 35 total cpu time spent up to now is 122.5 secs Computing kpt #: 36 total cpu time spent up to now is 126.3 secs Computing kpt #: 37 total cpu time spent up to now is 130.0 secs Computing kpt #: 38 total cpu time spent up to now is 133.8 secs Computing kpt #: 39 total cpu time spent up to now is 137.7 secs Computing kpt #: 40 total cpu time spent up to now is 141.8 secs Computing kpt #: 41 total cpu time spent up to now is 146.0 secs Computing kpt #: 42 total cpu time spent up to now is 150.7 secs Computing kpt #: 43 total cpu time spent up to now is 155.7 secs Computing kpt #: 44 total cpu time spent up to now is 160.6 secs Computing kpt #: 45 total cpu time spent up to now is 165.6 secs Computing kpt #: 46 total cpu time spent up to now is 170.4 secs Computing kpt #: 47 total cpu time spent up to now is 175.4 secs Computing kpt #: 48 total cpu time spent up to now is 180.3 secs Computing kpt #: 49 total cpu time spent up to now is 185.5 secs Computing kpt #: 50 total cpu time spent up to now is 190.5 secs Computing kpt #: 51 total cpu time spent up to now is 195.2 secs Computing kpt #: 52 total cpu time spent up to now is 199.9 secs Computing kpt #: 53 total cpu time spent up to now is 204.1 secs Computing kpt #: 54 total cpu time spent up to now is 208.0 secs Computing kpt #: 55 total cpu time spent up to now is 212.0 secs Computing kpt #: 56 total cpu time spent up to now is 215.7 secs Computing kpt #: 57 total cpu time spent up to now is 219.4 secs Computing kpt #: 58 total cpu time spent up to now is 223.1 secs Computing kpt #: 59 total cpu time spent up to now is 226.6 secs Computing kpt #: 60 total cpu time spent up to now is 229.7 secs Computing kpt #: 61 total cpu time spent up to now is 232.7 secs Computing kpt #: 62 total cpu time spent up to now is 235.8 secs Computing kpt #: 63 total cpu time spent up to now is 239.2 secs Computing kpt #: 64 total cpu time spent up to now is 242.8 secs Computing kpt #: 65 total cpu time spent up to now is 246.4 secs Computing kpt #: 66 total cpu time spent up to now is 249.9 secs Computing kpt #: 67 total cpu time spent up to now is 253.5 secs Computing kpt #: 68 total cpu time spent up to now is 256.6 secs Computing kpt #: 69 total cpu time spent up to now is 260.1 secs Computing kpt #: 70 total cpu time spent up to now is 263.7 secs Computing kpt #: 71 total cpu time spent up to now is 267.3 secs Computing kpt #: 72 total cpu time spent up to now is 270.3 secs Computing kpt #: 73 total cpu time spent up to now is 273.3 secs Computing kpt #: 74 total cpu time spent up to now is 276.4 secs Computing kpt #: 75 total cpu time spent up to now is 279.4 secs Computing kpt #: 76 total cpu time spent up to now is 283.0 secs Computing kpt #: 77 total cpu time spent up to now is 286.2 secs Computing kpt #: 78 total cpu time spent up to now is 289.2 secs Computing kpt #: 79 total cpu time spent up to now is 292.2 secs Computing kpt #: 80 total cpu time spent up to now is 295.1 secs Computing kpt #: 81 total cpu time spent up to now is 298.1 secs Computing kpt #: 82 total cpu time spent up to now is 301.1 secs Computing kpt #: 83 total cpu time spent up to now is 304.2 secs Computing kpt #: 84 total cpu time spent up to now is 307.2 secs Computing kpt #: 85 total cpu time spent up to now is 310.2 secs Computing kpt #: 86 total cpu time spent up to now is 313.2 secs Computing kpt #: 87 total cpu time spent up to now is 316.2 secs Computing kpt #: 88 total cpu time spent up to now is 319.2 secs Computing kpt #: 89 total cpu time spent up to now is 322.2 secs Computing kpt #: 90 total cpu time spent up to now is 325.2 secs Computing kpt #: 91 total cpu time spent up to now is 328.2 secs Computing kpt #: 92 total cpu time spent up to now is 331.2 secs Computing kpt #: 93 total cpu time spent up to now is 334.2 secs Computing kpt #: 94 total cpu time spent up to now is 337.2 secs Computing kpt #: 95 total cpu time spent up to now is 340.3 secs Computing kpt #: 96 total cpu time spent up to now is 343.3 secs Computing kpt #: 97 total cpu time spent up to now is 346.3 secs Computing kpt #: 98 total cpu time spent up to now is 349.3 secs Computing kpt #: 99 total cpu time spent up to now is 352.3 secs Computing kpt #: 100 total cpu time spent up to now is 355.6 secs Computing kpt #: 101 total cpu time spent up to now is 358.7 secs Computing kpt #: 102 total cpu time spent up to now is 361.6 secs Computing kpt #: 103 total cpu time spent up to now is 364.6 secs Computing kpt #: 104 total cpu time spent up to now is 368.4 secs Computing kpt #: 105 total cpu time spent up to now is 372.2 secs Computing kpt #: 106 total cpu time spent up to now is 376.0 secs Computing kpt #: 107 total cpu time spent up to now is 379.5 secs Computing kpt #: 108 total cpu time spent up to now is 382.6 secs Computing kpt #: 109 total cpu time spent up to now is 386.1 secs Computing kpt #: 110 total cpu time spent up to now is 390.1 secs Computing kpt #: 111 total cpu time spent up to now is 393.9 secs Computing kpt #: 112 total cpu time spent up to now is 397.4 secs Computing kpt #: 113 total cpu time spent up to now is 401.0 secs Computing kpt #: 114 total cpu time spent up to now is 405.1 secs Computing kpt #: 115 total cpu time spent up to now is 409.1 secs Computing kpt #: 116 total cpu time spent up to now is 412.7 secs Computing kpt #: 117 total cpu time spent up to now is 416.4 secs Computing kpt #: 118 total cpu time spent up to now is 420.7 secs Computing kpt #: 119 total cpu time spent up to now is 424.4 secs Computing kpt #: 120 total cpu time spent up to now is 428.2 secs Computing kpt #: 121 total cpu time spent up to now is 431.9 secs Computing kpt #: 122 total cpu time spent up to now is 436.1 secs Computing kpt #: 123 total cpu time spent up to now is 439.9 secs Computing kpt #: 124 total cpu time spent up to now is 443.8 secs Computing kpt #: 125 total cpu time spent up to now is 447.7 secs Computing kpt #: 126 total cpu time spent up to now is 451.9 secs Computing kpt #: 127 total cpu time spent up to now is 456.5 secs Computing kpt #: 128 total cpu time spent up to now is 461.3 secs Computing kpt #: 129 total cpu time spent up to now is 466.1 secs Computing kpt #: 130 total cpu time spent up to now is 471.2 secs Computing kpt #: 131 total cpu time spent up to now is 476.2 secs Computing kpt #: 132 total cpu time spent up to now is 481.5 secs Computing kpt #: 133 total cpu time spent up to now is 486.6 secs Computing kpt #: 134 total cpu time spent up to now is 491.5 secs Computing kpt #: 135 total cpu time spent up to now is 496.4 secs Computing kpt #: 136 total cpu time spent up to now is 501.4 secs Computing kpt #: 137 total cpu time spent up to now is 506.6 secs Computing kpt #: 138 total cpu time spent up to now is 511.5 secs Computing kpt #: 139 total cpu time spent up to now is 516.4 secs Computing kpt #: 140 total cpu time spent up to now is 521.2 secs Computing kpt #: 141 total cpu time spent up to now is 526.0 secs Computing kpt #: 142 total cpu time spent up to now is 530.3 secs Computing kpt #: 143 total cpu time spent up to now is 534.5 secs Computing kpt #: 144 total cpu time spent up to now is 539.0 secs Computing kpt #: 145 total cpu time spent up to now is 542.9 secs Computing kpt #: 146 total cpu time spent up to now is 546.7 secs Computing kpt #: 147 total cpu time spent up to now is 550.5 secs Computing kpt #: 148 total cpu time spent up to now is 554.3 secs Computing kpt #: 149 total cpu time spent up to now is 557.4 secs Computing kpt #: 150 total cpu time spent up to now is 560.5 secs Computing kpt #: 151 total cpu time spent up to now is 563.6 secs Computing kpt #: 152 total cpu time spent up to now is 567.4 secs Computing kpt #: 153 total cpu time spent up to now is 571.0 secs Computing kpt #: 154 total cpu time spent up to now is 574.8 secs Computing kpt #: 155 total cpu time spent up to now is 578.6 secs Computing kpt #: 156 total cpu time spent up to now is 582.3 secs Computing kpt #: 157 total cpu time spent up to now is 586.0 secs Computing kpt #: 158 total cpu time spent up to now is 589.7 secs Computing kpt #: 159 total cpu time spent up to now is 593.4 secs Computing kpt #: 160 total cpu time spent up to now is 597.1 secs Computing kpt #: 161 total cpu time spent up to now is 600.2 secs Computing kpt #: 162 total cpu time spent up to now is 603.8 secs Computing kpt #: 163 total cpu time spent up to now is 607.5 secs Computing kpt #: 164 total cpu time spent up to now is 611.1 secs Computing kpt #: 165 total cpu time spent up to now is 614.7 secs Computing kpt #: 166 total cpu time spent up to now is 617.9 secs Computing kpt #: 167 total cpu time spent up to now is 621.0 secs Computing kpt #: 168 total cpu time spent up to now is 624.1 secs Computing kpt #: 169 total cpu time spent up to now is 627.7 secs Computing kpt #: 170 total cpu time spent up to now is 631.3 secs Computing kpt #: 171 total cpu time spent up to now is 634.9 secs Computing kpt #: 172 total cpu time spent up to now is 638.5 secs Computing kpt #: 173 total cpu time spent up to now is 642.0 secs Computing kpt #: 174 total cpu time spent up to now is 645.0 secs Computing kpt #: 175 total cpu time spent up to now is 648.6 secs Computing kpt #: 176 total cpu time spent up to now is 652.2 secs Computing kpt #: 177 total cpu time spent up to now is 655.8 secs Computing kpt #: 178 total cpu time spent up to now is 659.3 secs Computing kpt #: 179 total cpu time spent up to now is 662.3 secs Computing kpt #: 180 total cpu time spent up to now is 665.3 secs Computing kpt #: 181 total cpu time spent up to now is 668.4 secs Computing kpt #: 182 total cpu time spent up to now is 671.4 secs Computing kpt #: 183 total cpu time spent up to now is 675.1 secs Computing kpt #: 184 total cpu time spent up to now is 678.1 secs Computing kpt #: 185 total cpu time spent up to now is 681.1 secs Computing kpt #: 186 total cpu time spent up to now is 684.7 secs Computing kpt #: 187 total cpu time spent up to now is 687.8 secs Computing kpt #: 188 total cpu time spent up to now is 691.4 secs Computing kpt #: 189 total cpu time spent up to now is 694.4 secs Computing kpt #: 190 total cpu time spent up to now is 697.5 secs Computing kpt #: 191 total cpu time spent up to now is 700.6 secs Computing kpt #: 192 total cpu time spent up to now is 703.7 secs Computing kpt #: 193 total cpu time spent up to now is 706.8 secs Computing kpt #: 194 total cpu time spent up to now is 710.4 secs Computing kpt #: 195 total cpu time spent up to now is 714.1 secs Computing kpt #: 196 total cpu time spent up to now is 718.0 secs Computing kpt #: 197 total cpu time spent up to now is 721.6 secs Computing kpt #: 198 total cpu time spent up to now is 725.2 secs Computing kpt #: 199 total cpu time spent up to now is 728.8 secs Computing kpt #: 200 total cpu time spent up to now is 732.5 secs Computing kpt #: 201 total cpu time spent up to now is 736.1 secs Computing kpt #: 202 total cpu time spent up to now is 739.7 secs ethr = 1.39E-08, avg # of iterations = 24.7 total cpu time spent up to now is 739.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 22159 PWs) bands (ev): -64.3282 -64.3282 -64.3279 -64.3279 -36.3965 -36.3965 -36.3949 -36.3949 -35.4493 -35.4493 -35.4485 -35.4485 -35.3823 -35.3823 -35.3789 -35.3789 -6.1126 -6.1126 -4.9256 -4.9256 -3.9717 -3.9717 -3.9703 -3.9703 -3.9055 -3.9055 -3.9022 -3.9022 -1.5185 -1.5185 0.4172 0.4172 1.6335 1.6335 1.8926 1.8926 2.1343 2.1343 2.2856 2.2856 2.5742 2.5742 2.5808 2.5808 3.4359 3.4359 4.7270 4.7270 4.7522 4.7522 4.7887 4.7887 4.8822 4.8822 5.0268 5.0268 5.3110 5.3110 5.4986 5.4986 5.9657 5.9657 6.6693 6.6693 6.6798 6.6798 6.6957 6.6957 6.7287 6.7287 6.7389 6.7389 6.9258 6.9258 7.0706 7.0706 7.0951 7.0951 8.2702 8.2702 8.3167 8.3167 8.5820 8.5820 8.8338 8.8338 k = 0.0179-0.0145-0.0097 ( 22179 PWs) bands (ev): -64.3285 -64.3285 -64.3284 -64.3284 -36.3965 -36.3965 -36.3950 -36.3950 -35.4494 -35.4494 -35.4486 -35.4486 -35.3825 -35.3825 -35.3789 -35.3789 -6.1115 -6.1115 -4.9250 -4.9250 -3.9738 -3.9738 -3.9717 -3.9717 -3.9059 -3.9059 -3.9026 -3.9026 -1.5169 -1.5169 0.4167 0.4167 1.6341 1.6341 1.8942 1.8942 2.1352 2.1352 2.2812 2.2812 2.5439 2.5439 2.6238 2.6238 3.4391 3.4391 4.7168 4.7168 4.7538 4.7538 4.7876 4.7876 4.8827 4.8827 5.0315 5.0315 5.3087 5.3087 5.4956 5.4956 5.9610 5.9610 6.6479 6.6479 6.6807 6.6807 6.6921 6.6921 6.7344 6.7344 6.7460 6.7460 6.9258 6.9258 7.0699 7.0699 7.0942 7.0942 8.2701 8.2701 8.3167 8.3167 8.5790 8.5790 8.8238 8.8238 k = 0.0357-0.0290-0.0193 ( 22177 PWs) bands (ev): -64.3285 -64.3285 -64.3282 -64.3282 -36.3965 -36.3965 -36.3950 -36.3950 -35.4493 -35.4493 -35.4486 -35.4486 -35.3824 -35.3824 -35.3789 -35.3789 -6.1083 -6.1083 -4.9232 -4.9232 -3.9813 -3.9813 -3.9744 -3.9744 -3.9074 -3.9074 -3.9037 -3.9037 -1.5120 -1.5120 0.4154 0.4154 1.6360 1.6360 1.8987 1.8987 2.1379 2.1379 2.2688 2.2688 2.5262 2.5262 2.6794 2.6794 3.4484 3.4484 4.6917 4.6917 4.7542 4.7542 4.7856 4.7856 4.8841 4.8841 5.0445 5.0445 5.3021 5.3021 5.4866 5.4866 5.9470 5.9470 6.6082 6.6082 6.6667 6.6667 6.6925 6.6925 6.7463 6.7463 6.7599 6.7599 6.9284 6.9284 7.0708 7.0708 7.0945 7.0945 8.2708 8.2708 8.3178 8.3178 8.5697 8.5697 8.7995 8.7995 k = 0.0536-0.0435-0.0290 ( 22171 PWs) bands (ev): -64.3284 -64.3284 -64.3282 -64.3282 -36.3965 -36.3965 -36.3950 -36.3950 -35.4493 -35.4493 -35.4486 -35.4486 -35.3824 -35.3824 -35.3789 -35.3789 -6.1029 -6.1029 -4.9202 -4.9202 -3.9938 -3.9938 -3.9786 -3.9786 -3.9105 -3.9105 -3.9052 -3.9052 -1.5040 -1.5040 0.4132 0.4132 1.6396 1.6396 1.9051 1.9051 2.1413 2.1413 2.2515 2.2515 2.5251 2.5251 2.7421 2.7421 3.4636 3.4636 4.6564 4.6564 4.7509 4.7509 4.7836 4.7836 4.8859 4.8859 5.0627 5.0627 5.2916 5.2916 5.4723 5.4723 5.9236 5.9236 6.5589 6.5589 6.6459 6.6459 6.6958 6.6958 6.7566 6.7566 6.7736 6.7736 6.9318 6.9318 7.0716 7.0716 7.0956 7.0956 8.2716 8.2716 8.3194 8.3194 8.5528 8.5528 8.7706 8.7706 k = 0.0714-0.0581-0.0386 ( 22162 PWs) bands (ev): -64.3283 -64.3283 -64.3280 -64.3280 -36.3965 -36.3965 -36.3949 -36.3949 -35.4493 -35.4493 -35.4486 -35.4486 -35.3824 -35.3824 -35.3789 -35.3789 -6.0954 -6.0954 -4.9161 -4.9161 -4.0109 -4.0109 -3.9841 -3.9841 -3.9154 -3.9154 -3.9072 -3.9072 -1.4929 -1.4929 0.4103 0.4103 1.6449 1.6449 1.9123 1.9123 2.1416 2.1416 2.2374 2.2374 2.5387 2.5387 2.8103 2.8103 3.4845 3.4845 4.6133 4.6133 4.7441 4.7441 4.7811 4.7811 4.8879 4.8879 5.0825 5.0825 5.2781 5.2781 5.4534 5.4534 5.8908 5.8908 6.5020 6.5020 6.6226 6.6226 6.7000 6.7000 6.7630 6.7630 6.7859 6.7859 6.9358 6.9358 7.0725 7.0725 7.0990 7.0990 8.2724 8.2724 8.3215 8.3215 8.5280 8.5280 8.7443 8.7443 k = 0.0893-0.0726-0.0483 ( 22149 PWs) bands (ev): -64.3283 -64.3283 -64.3275 -64.3275 -36.3964 -36.3964 -36.3950 -36.3950 -35.4492 -35.4492 -35.4486 -35.4486 -35.3823 -35.3823 -35.3789 -35.3789 -6.0857 -6.0857 -4.9108 -4.9108 -4.0323 -4.0323 -3.9908 -3.9908 -3.9220 -3.9220 -3.9100 -3.9100 -1.4789 -1.4789 0.4069 0.4069 1.6521 1.6521 1.9191 1.9191 2.1322 2.1322 2.2377 2.2377 2.5642 2.5642 2.8827 2.8827 3.5105 3.5105 4.5642 4.5642 4.7343 4.7343 4.7769 4.7769 4.8907 4.8907 5.1009 5.1009 5.2627 5.2627 5.4309 5.4309 5.8491 5.8491 6.4394 6.4394 6.5974 6.5974 6.7044 6.7044 6.7657 6.7657 6.7970 6.7970 6.9403 6.9403 7.0733 7.0733 7.1039 7.1039 8.2726 8.2726 8.3237 8.3237 8.4979 8.4979 8.7234 8.7234 k = 0.1071-0.0871-0.0579 ( 22148 PWs) bands (ev): -64.3283 -64.3283 -64.3275 -64.3275 -36.3964 -36.3964 -36.3950 -36.3950 -35.4492 -35.4492 -35.4486 -35.4486 -35.3822 -35.3822 -35.3789 -35.3789 -6.0739 -6.0739 -4.9043 -4.9043 -4.0577 -4.0577 -3.9983 -3.9983 -3.9301 -3.9301 -3.9137 -3.9137 -1.4622 -1.4622 0.4030 0.4030 1.6616 1.6616 1.9246 1.9246 2.1129 2.1129 2.2559 2.2559 2.5994 2.5994 2.9586 2.9586 3.5410 3.5410 4.5102 4.5102 4.7205 4.7205 4.7706 4.7706 4.8948 4.8948 5.1150 5.1150 5.2466 5.2466 5.4060 5.4060 5.7992 5.7992 6.3733 6.3733 6.5714 6.5714 6.7087 6.7087 6.7642 6.7642 6.8059 6.8059 6.9451 6.9451 7.0738 7.0738 7.1097 7.1097 8.2701 8.2701 8.3237 8.3237 8.4673 8.4673 8.7070 8.7070 k = 0.1250-0.1016-0.0676 ( 22156 PWs) bands (ev): -64.3284 -64.3284 -64.3277 -64.3277 -36.3964 -36.3964 -36.3950 -36.3950 -35.4492 -35.4492 -35.4486 -35.4486 -35.3822 -35.3822 -35.3790 -35.3790 -6.0601 -6.0601 -4.8968 -4.8968 -4.0868 -4.0868 -4.0066 -4.0066 -3.9396 -3.9396 -3.9185 -3.9185 -1.4430 -1.4430 0.3990 0.3990 1.6731 1.6731 1.9286 1.9286 2.0900 2.0900 2.2876 2.2876 2.6426 2.6426 3.0374 3.0374 3.5754 3.5754 4.4522 4.4522 4.7017 4.7017 4.7624 4.7624 4.9001 4.9001 5.1220 5.1220 5.2310 5.2310 5.3797 5.3797 5.7433 5.7433 6.3055 6.3055 6.5447 6.5447 6.7118 6.7118 6.7599 6.7599 6.8134 6.8134 6.9502 6.9502 7.0744 7.0744 7.1159 7.1159 8.2638 8.2638 8.3201 8.3201 8.4416 8.4416 8.6936 8.6936 k = 0.1429-0.1161-0.0772 ( 22171 PWs) bands (ev): -64.3288 -64.3288 -64.3279 -64.3279 -36.3964 -36.3964 -36.3951 -36.3951 -35.4492 -35.4492 -35.4487 -35.4487 -35.3822 -35.3822 -35.3791 -35.3791 -6.0442 -6.0442 -4.8882 -4.8882 -4.1195 -4.1195 -4.0155 -4.0155 -3.9504 -3.9504 -3.9245 -3.9245 -1.4218 -1.4218 0.3948 0.3948 1.6868 1.6868 1.9314 1.9314 2.0683 2.0683 2.3290 2.3290 2.6924 2.6924 3.1184 3.1184 3.6129 3.6129 4.3911 4.3911 4.6766 4.6766 4.7529 4.7529 4.9064 4.9064 5.1202 5.1202 5.2159 5.2159 5.3527 5.3527 5.6851 5.6851 6.2375 6.2375 6.5176 6.5176 6.7129 6.7129 6.7532 6.7532 6.8195 6.8195 6.9548 6.9548 7.0761 7.0761 7.1221 7.1221 8.2525 8.2525 8.3127 8.3127 8.4236 8.4236 8.6826 8.6826 k = 0.1607-0.1306-0.0869 ( 22168 PWs) bands (ev): -64.3288 -64.3288 -64.3278 -64.3278 -36.3964 -36.3964 -36.3951 -36.3951 -35.4493 -35.4493 -35.4487 -35.4487 -35.3822 -35.3822 -35.3791 -35.3791 -6.0263 -6.0263 -4.8786 -4.8786 -4.1554 -4.1554 -4.0247 -4.0247 -3.9622 -3.9622 -3.9317 -3.9317 -1.3986 -1.3986 0.3908 0.3908 1.7022 1.7022 1.9338 1.9338 2.0501 2.0501 2.3779 2.3779 2.7480 2.7480 3.2013 3.2013 3.6525 3.6525 4.3279 4.3279 4.6446 4.6446 4.7433 4.7433 4.9130 4.9130 5.1089 5.1089 5.2003 5.2003 5.3244 5.3244 5.6302 5.6302 6.1704 6.1704 6.4909 6.4909 6.7116 6.7116 6.7464 6.7464 6.8253 6.8253 6.9595 6.9595 7.0787 7.0787 7.1283 7.1283 8.2369 8.2369 8.3016 8.3016 8.4148 8.4148 8.6743 8.6743 k = 0.1786-0.1451-0.0965 ( 22160 PWs) bands (ev): -64.3286 -64.3286 -64.3278 -64.3278 -36.3963 -36.3963 -36.3951 -36.3951 -35.4492 -35.4492 -35.4487 -35.4487 -35.3821 -35.3821 -35.3791 -35.3791 -6.0065 -6.0065 -4.8681 -4.8681 -4.1941 -4.1941 -4.0342 -4.0342 -3.9750 -3.9750 -3.9401 -3.9401 -1.3740 -1.3740 0.3869 0.3869 1.7188 1.7188 1.9366 1.9366 2.0370 2.0370 2.4327 2.4327 2.8085 2.8085 3.2852 3.2852 3.6930 3.6930 4.2638 4.2638 4.6055 4.6055 4.7335 4.7335 4.9185 4.9185 5.0872 5.0872 5.1834 5.1834 5.2932 5.2932 5.5853 5.5853 6.1046 6.1046 6.4643 6.4643 6.7050 6.7050 6.7402 6.7402 6.8310 6.8310 6.9644 6.9644 7.0824 7.0824 7.1347 7.1347 8.2185 8.2185 8.2871 8.2871 8.4127 8.4127 8.6678 8.6678 k = 0.1964-0.1597-0.1062 ( 22151 PWs) bands (ev): -64.3285 -64.3285 -64.3276 -64.3276 -36.3963 -36.3963 -36.3951 -36.3951 -35.4492 -35.4492 -35.4487 -35.4487 -35.3820 -35.3820 -35.3791 -35.3791 -5.9847 -5.9847 -4.8567 -4.8567 -4.2354 -4.2354 -4.0438 -4.0438 -3.9885 -3.9885 -3.9496 -3.9496 -1.3481 -1.3481 0.3834 0.3834 1.7360 1.7360 1.9409 1.9409 2.0299 2.0299 2.4922 2.4922 2.8731 2.8731 3.3696 3.3696 3.7324 3.7324 4.2007 4.2007 4.5596 4.5596 4.7234 4.7234 4.9204 4.9204 5.0524 5.0524 5.1671 5.1671 5.2602 5.2602 5.5544 5.5544 6.0402 6.0402 6.4380 6.4380 6.6927 6.6927 6.7360 6.7360 6.8359 6.8359 6.9688 6.9688 7.0869 7.0869 7.1411 7.1411 8.1991 8.1991 8.2696 8.2696 8.4148 8.4148 8.6631 8.6631 k = 0.2143-0.1742-0.1158 ( 22164 PWs) bands (ev): -64.3290 -64.3290 -64.3276 -64.3276 -36.3963 -36.3963 -36.3952 -36.3952 -35.4492 -35.4492 -35.4487 -35.4487 -35.3819 -35.3819 -35.3792 -35.3792 -5.9611 -5.9611 -4.8445 -4.8445 -4.2789 -4.2789 -4.0535 -4.0535 -4.0025 -4.0025 -3.9603 -3.9603 -1.3214 -1.3214 0.3801 0.3801 1.7531 1.7531 1.9473 1.9473 2.0297 2.0297 2.5550 2.5550 2.9411 2.9411 3.4535 3.4535 3.7679 3.7679 4.1416 4.1416 4.5076 4.5076 4.7124 4.7124 4.9128 4.9128 5.0062 5.0062 5.1531 5.1531 5.2309 5.2309 5.5366 5.5366 5.9775 5.9775 6.4117 6.4117 6.6749 6.6749 6.7318 6.7318 6.8396 6.8396 6.9736 6.9736 7.0902 7.0902 7.1462 7.1462 8.1785 8.1785 8.2505 8.2505 8.4195 8.4195 8.6592 8.6592 k = 0.2321-0.1887-0.1255 ( 22167 PWs) bands (ev): -64.3290 -64.3290 -64.3277 -64.3277 -36.3963 -36.3963 -36.3952 -36.3952 -35.4492 -35.4492 -35.4488 -35.4488 -35.3819 -35.3819 -35.3793 -35.3793 -5.9358 -5.9358 -4.8316 -4.8316 -4.3242 -4.3242 -4.0630 -4.0630 -4.0170 -4.0170 -3.9718 -3.9718 -1.2942 -1.2942 0.3773 0.3773 1.7696 1.7696 1.9561 1.9561 2.0374 2.0374 2.6198 2.6198 3.0117 3.0117 3.5356 3.5356 3.7935 3.7935 4.0927 4.0927 4.4514 4.4514 4.6986 4.6986 4.8818 4.8818 4.9655 4.9655 5.1400 5.1400 5.2123 5.2123 5.5270 5.5270 5.9171 5.9171 6.3859 6.3859 6.6536 6.6536 6.7277 6.7277 6.8440 6.8440 6.9783 6.9783 7.0938 7.0938 7.1517 7.1517 8.1559 8.1559 8.2325 8.2325 8.4268 8.4268 8.6557 8.6557 k = 0.2500-0.2032-0.1351 ( 22169 PWs) bands (ev): -64.3291 -64.3291 -64.3277 -64.3277 -36.3962 -36.3962 -36.3952 -36.3952 -35.4492 -35.4492 -35.4488 -35.4488 -35.3819 -35.3819 -35.3794 -35.3794 -5.9087 -5.9087 -4.8183 -4.8183 -4.3708 -4.3708 -4.0723 -4.0723 -4.0318 -4.0318 -3.9842 -3.9842 -1.2670 -1.2670 0.3749 0.3749 1.7852 1.7852 1.9670 1.9670 2.0539 2.0539 2.6854 2.6854 3.0841 3.0841 3.6143 3.6143 3.8005 3.8005 4.0635 4.0635 4.3923 4.3923 4.6765 4.6765 4.8258 4.8258 4.9423 4.9423 5.1254 5.1254 5.2076 5.2076 5.5204 5.5204 5.8597 5.8597 6.3605 6.3605 6.6289 6.6289 6.7230 6.7230 6.8481 6.8481 6.9834 6.9834 7.0970 7.0970 7.1570 7.1570 8.1297 8.1297 8.2194 8.2194 8.4355 8.4355 8.6519 8.6519 k = 0.2679-0.2177-0.1448 ( 22168 PWs) bands (ev): -64.3293 -64.3293 -64.3275 -64.3275 -36.3962 -36.3962 -36.3953 -36.3953 -35.4491 -35.4491 -35.4489 -35.4489 -35.3817 -35.3817 -35.3795 -35.3795 -5.8801 -5.8801 -4.8047 -4.8047 -4.4183 -4.4183 -4.0815 -4.0815 -4.0468 -4.0468 -3.9971 -3.9971 -1.2400 -1.2400 0.3728 0.3728 1.8005 1.8005 1.9795 1.9795 2.0796 2.0796 2.7501 2.7501 3.1574 3.1574 3.6859 3.6859 3.7838 3.7838 4.0609 4.0609 4.3328 4.3328 4.6333 4.6333 4.7767 4.7767 4.9235 4.9235 5.1099 5.1099 5.2150 5.2150 5.5124 5.5124 5.8067 5.8067 6.3355 6.3355 6.6023 6.6023 6.7176 6.7176 6.8522 6.8522 6.9877 6.9877 7.0998 7.0998 7.1625 7.1625 8.0993 8.0993 8.2128 8.2128 8.4453 8.4453 8.6475 8.6475 k = 0.2857-0.2322-0.1544 ( 22160 PWs) bands (ev): -64.3290 -64.3290 -64.3275 -64.3275 -36.3961 -36.3961 -36.3953 -36.3953 -35.4491 -35.4491 -35.4488 -35.4488 -35.3817 -35.3817 -35.3795 -35.3795 -5.8501 -5.8501 -4.7913 -4.7913 -4.4659 -4.4659 -4.0905 -4.0905 -4.0617 -4.0617 -4.0104 -4.0104 -1.2135 -1.2135 0.3711 0.3711 1.8161 1.8161 1.9934 1.9934 2.1138 2.1138 2.8118 2.8118 3.2305 3.2305 3.7268 3.7268 3.7701 3.7701 4.0785 4.0785 4.2766 4.2766 4.5644 4.5644 4.7517 4.7517 4.9029 4.9029 5.0957 5.0957 5.2306 5.2306 5.4991 5.4991 5.7601 5.7601 6.3111 6.3111 6.5733 6.5733 6.7120 6.7120 6.8570 6.8570 6.9916 6.9916 7.1020 7.1020 7.1683 7.1683 8.0666 8.0666 8.2124 8.2124 8.4555 8.4555 8.6416 8.6416 k = 0.3036-0.2467-0.1641 ( 22166 PWs) bands (ev): -64.3290 -64.3290 -64.3277 -64.3277 -36.3961 -36.3961 -36.3953 -36.3953 -35.4491 -35.4491 -35.4489 -35.4489 -35.3817 -35.3817 -35.3796 -35.3796 -5.8189 -5.8189 -4.7787 -4.7787 -4.5128 -4.5128 -4.0996 -4.0996 -4.0762 -4.0762 -4.0238 -4.0238 -1.1880 -1.1880 0.3698 0.3698 1.8329 1.8329 2.0088 2.0088 2.1556 2.1556 2.8678 2.8678 3.3015 3.3015 3.6931 3.6931 3.8098 3.8098 4.1041 4.1041 4.2293 4.2293 4.4856 4.4856 4.7419 4.7419 4.8802 4.8802 5.0833 5.0833 5.2513 5.2513 5.4779 5.4779 5.7215 5.7215 6.2872 6.2872 6.5420 6.5420 6.7059 6.7059 6.8607 6.8607 6.9945 6.9945 7.1034 7.1034 7.1736 7.1736 8.0329 8.0329 8.2172 8.2172 8.4650 8.4650 8.6341 8.6341 k = 0.3214-0.2613-0.1737 ( 22169 PWs) bands (ev): -64.3291 -64.3291 -64.3278 -64.3278 -36.3961 -36.3961 -36.3954 -36.3954 -35.4491 -35.4491 -35.4489 -35.4489 -35.3816 -35.3816 -35.3797 -35.3797 -5.7866 -5.7866 -4.7682 -4.7682 -4.5575 -4.5575 -4.1094 -4.1094 -4.0896 -4.0896 -4.0369 -4.0369 -1.1637 -1.1637 0.3687 0.3687 1.8514 1.8514 2.0257 2.0257 2.2039 2.2039 2.9148 2.9148 3.3682 3.3682 3.6516 3.6516 3.8383 3.8383 4.1253 4.1253 4.2002 4.2002 4.4124 4.4124 4.7380 4.7380 4.8579 4.8579 5.0728 5.0728 5.2747 5.2747 5.4482 5.4482 5.6914 5.6914 6.2640 6.2640 6.5090 6.5090 6.6997 6.6997 6.8648 6.8648 6.9967 6.9967 7.1048 7.1048 7.1790 7.1790 8.0000 8.0000 8.2264 8.2264 8.4742 8.4742 8.6248 8.6248 k = 0.3393-0.2758-0.1834 ( 22179 PWs) bands (ev): -64.3291 -64.3291 -64.3281 -64.3281 -36.3961 -36.3961 -36.3954 -36.3954 -35.4491 -35.4491 -35.4489 -35.4489 -35.3816 -35.3816 -35.3797 -35.3797 -5.7535 -5.7535 -4.7620 -4.7620 -4.5973 -4.5973 -4.1209 -4.1209 -4.1007 -4.1007 -4.0496 -4.0496 -1.1409 -1.1409 0.3678 0.3678 1.8719 1.8719 2.0440 2.0440 2.2580 2.2580 2.9491 2.9491 3.4263 3.4263 3.6162 3.6162 3.8439 3.8439 4.1319 4.1319 4.1933 4.1933 4.3594 4.3594 4.7333 4.7333 4.8413 4.8413 5.0643 5.0643 5.2968 5.2968 5.4138 5.4138 5.6681 5.6681 6.2414 6.2414 6.4741 6.4741 6.6935 6.6935 6.8688 6.8688 6.9978 6.9978 7.1062 7.1062 7.1842 7.1842 7.9690 7.9690 8.2396 8.2396 8.4819 8.4819 8.6141 8.6141 k = 0.3571-0.2903-0.1930 ( 22178 PWs) bands (ev): -64.3292 -64.3292 -64.3280 -64.3280 -36.3961 -36.3961 -36.3954 -36.3954 -35.4491 -35.4491 -35.4489 -35.4489 -35.3815 -35.3815 -35.3798 -35.3798 -5.7201 -5.7201 -4.7649 -4.7649 -4.6272 -4.6272 -4.1342 -4.1342 -4.1091 -4.1091 -4.0616 -4.0616 -1.1199 -1.1199 0.3671 0.3671 1.8946 1.8946 2.0633 2.0633 2.3171 2.3171 2.9675 2.9675 3.4675 3.4675 3.5908 3.5908 3.8353 3.8353 4.1241 4.1241 4.1954 4.1954 4.3387 4.3387 4.7213 4.7213 4.8371 4.8371 5.0582 5.0582 5.3064 5.3064 5.3880 5.3880 5.6491 5.6491 6.2197 6.2197 6.4393 6.4393 6.6876 6.6876 6.8725 6.8725 6.9981 6.9981 7.1079 7.1079 7.1892 7.1892 7.9414 7.9414 8.2564 8.2564 8.4882 8.4882 8.6035 8.6035 k = 0.3750-0.3048-0.2027 ( 22181 PWs) bands (ev): -64.3292 -64.3292 -64.3281 -64.3281 -36.3961 -36.3961 -36.3955 -36.3955 -35.4491 -35.4491 -35.4489 -35.4489 -35.3814 -35.3814 -35.3799 -35.3799 -5.6867 -5.6867 -4.7814 -4.7814 -4.6424 -4.6424 -4.1485 -4.1485 -4.1155 -4.1155 -4.0727 -4.0727 -1.1008 -1.1008 0.3666 0.3666 1.9191 1.9191 2.0830 2.0830 2.3807 2.3807 2.9691 2.9691 3.4754 3.4754 3.5807 3.5807 3.8309 3.8309 4.1051 4.1051 4.2029 4.2029 4.3426 4.3426 4.7007 4.7007 4.8467 4.8467 5.0555 5.0555 5.2843 5.2843 5.3918 5.3918 5.6315 5.6315 6.1990 6.1990 6.4044 6.4044 6.6820 6.6820 6.8764 6.8764 6.9968 6.9968 7.1104 7.1104 7.1937 7.1937 7.9174 7.9174 8.2757 8.2757 8.4921 8.4921 8.5929 8.5929 k = 0.3929-0.3193-0.2123 ( 22174 PWs) bands (ev): -64.3292 -64.3292 -64.3278 -64.3278 -36.3960 -36.3960 -36.3955 -36.3955 -35.4491 -35.4491 -35.4490 -35.4490 -35.3814 -35.3814 -35.3799 -35.3799 -5.6539 -5.6539 -4.8096 -4.8096 -4.6444 -4.6444 -4.1628 -4.1628 -4.1205 -4.1205 -4.0828 -4.0828 -1.0840 -1.0840 0.3662 0.3662 1.9448 1.9448 2.1025 2.1025 2.4483 2.4483 2.9564 2.9564 3.4413 3.4413 3.5853 3.5853 3.8431 3.8431 4.0897 4.0897 4.2142 4.2142 4.3517 4.3517 4.6763 4.6763 4.8648 4.8648 5.0581 5.0581 5.2445 5.2445 5.4127 5.4127 5.6139 5.6139 6.1794 6.1794 6.3708 6.3708 6.6771 6.6771 6.8799 6.8799 6.9954 6.9954 7.1128 7.1128 7.1981 7.1981 7.8971 7.8971 8.2980 8.2980 8.4928 8.4928 8.5845 8.5845 k = 0.4107-0.3338-0.2220 ( 22177 PWs) bands (ev): -64.3291 -64.3291 -64.3280 -64.3280 -36.3960 -36.3960 -36.3955 -36.3955 -35.4491 -35.4491 -35.4490 -35.4490 -35.3813 -35.3813 -35.3800 -35.3800 -5.6226 -5.6226 -4.8428 -4.8428 -4.6394 -4.6394 -4.1764 -4.1764 -4.1243 -4.1243 -4.0917 -4.0917 -1.0694 -1.0694 0.3658 0.3658 1.9710 1.9710 2.1209 2.1209 2.5194 2.5194 2.9344 2.9344 3.3797 3.3797 3.5899 3.5899 3.8713 3.8713 4.0897 4.0897 4.2238 4.2238 4.3544 4.3544 4.6528 4.6528 4.8846 4.8846 5.0678 5.0678 5.2030 5.2030 5.4355 5.4355 5.5957 5.5957 6.1611 6.1611 6.3388 6.3388 6.6732 6.6732 6.8835 6.8835 6.9930 6.9930 7.1153 7.1153 7.2012 7.2012 7.8810 7.8810 8.3211 8.3211 8.4889 8.4889 8.5782 8.5782 k = 0.4286-0.3483-0.2316 ( 22176 PWs) bands (ev): -64.3290 -64.3290 -64.3281 -64.3281 -36.3960 -36.3960 -36.3955 -36.3955 -35.4491 -35.4491 -35.4490 -35.4490 -35.3813 -35.3813 -35.3800 -35.3800 -5.5939 -5.5939 -4.8756 -4.8756 -4.6319 -4.6319 -4.1887 -4.1887 -4.1270 -4.1270 -4.0993 -4.0993 -1.0573 -1.0573 0.3656 0.3656 1.9963 1.9963 2.1373 2.1373 2.5930 2.5930 2.9087 2.9087 3.3035 3.3035 3.5878 3.5878 3.9103 3.9103 4.1062 4.1062 4.2283 4.2283 4.3470 4.3470 4.6331 4.6331 4.9009 4.9009 5.0836 5.0836 5.1680 5.1680 5.4540 5.4540 5.5785 5.5785 6.1445 6.1445 6.3104 6.3104 6.6699 6.6699 6.8866 6.8866 6.9903 6.9903 7.1185 7.1185 7.2038 7.2038 7.8686 7.8686 8.3447 8.3448 8.4813 8.4813 8.5753 8.5753 k = 0.4464-0.3629-0.2413 ( 22183 PWs) bands (ev): -64.3292 -64.3292 -64.3282 -64.3282 -36.3960 -36.3960 -36.3956 -36.3956 -35.4491 -35.4491 -35.4490 -35.4490 -35.3812 -35.3812 -35.3801 -35.3801 -5.5689 -5.5689 -4.9048 -4.9048 -4.6243 -4.6243 -4.1990 -4.1990 -4.1288 -4.1288 -4.1056 -4.1056 -1.0478 -1.0478 0.3654 0.3654 2.0193 2.0193 2.1508 2.1508 2.6675 2.6675 2.8857 2.8857 3.2201 3.2201 3.5802 3.5802 3.9562 3.9562 4.1325 4.1325 4.2252 4.2252 4.3315 4.3315 4.6176 4.6176 4.9121 4.9121 5.0913 5.0913 5.1540 5.1540 5.4632 5.4632 5.5658 5.5658 6.1301 6.1301 6.2870 6.2870 6.6673 6.6673 6.8888 6.8888 6.9880 6.9880 7.1201 7.1201 7.2063 7.2063 7.8597 7.8597 8.3670 8.3670 8.4708 8.4708 8.5744 8.5744 k = 0.4643-0.3774-0.2509 ( 22190 PWs) bands (ev): -64.3293 -64.3293 -64.3283 -64.3283 -36.3960 -36.3960 -36.3956 -36.3956 -35.4491 -35.4491 -35.4490 -35.4490 -35.3812 -35.3812 -35.3801 -35.3801 -5.5493 -5.5493 -4.9279 -4.9279 -4.6181 -4.6181 -4.2070 -4.2070 -4.1299 -4.1299 -4.1104 -4.1104 -1.0410 -1.0410 0.3653 0.3653 2.0380 2.0380 2.1607 2.1607 2.7367 2.7367 2.8744 2.8744 3.1342 3.1342 3.5709 3.5709 4.0052 4.0052 4.1571 4.1571 4.2150 4.2150 4.3134 4.3134 4.6060 4.6060 4.9194 4.9194 5.0779 5.0779 5.1706 5.1706 5.4605 5.4605 5.5611 5.5611 6.1186 6.1186 6.2695 6.2695 6.6650 6.6650 6.8908 6.8908 6.9854 6.9854 7.1219 7.1219 7.2076 7.2076 7.8536 7.8536 8.3875 8.3875 8.4594 8.4594 8.5747 8.5747 k = 0.4821-0.3919-0.2606 ( 22205 PWs) bands (ev): -64.3296 -64.3296 -64.3285 -64.3285 -36.3960 -36.3960 -36.3956 -36.3956 -35.4492 -35.4492 -35.4491 -35.4491 -35.3812 -35.3812 -35.3802 -35.3802 -5.5367 -5.5367 -4.9427 -4.9427 -4.6140 -4.6140 -4.2119 -4.2119 -4.1303 -4.1303 -4.1134 -4.1134 -1.0369 -1.0369 0.3652 0.3652 2.0504 2.0504 2.1667 2.1667 2.7816 2.7816 2.8944 2.8944 3.0505 3.0505 3.5638 3.5638 4.0519 4.0519 4.1576 4.1576 4.2132 4.2132 4.2984 4.2984 4.5982 4.5982 4.9239 4.9239 5.0633 5.0633 5.1917 5.1917 5.4513 5.4513 5.5616 5.5616 6.1112 6.1112 6.2583 6.2583 6.6633 6.6633 6.8917 6.8917 6.9839 6.9839 7.1219 7.1219 7.2087 7.2087 7.8497 7.8497 8.4041 8.4041 8.4482 8.4482 8.5752 8.5752 k = 0.5000-0.4064-0.2702 ( 22196 PWs) bands (ev): -64.3296 -64.3296 -64.3282 -64.3282 -36.3960 -36.3960 -36.3957 -36.3957 -35.4491 -35.4491 -35.4491 -35.4491 -35.3812 -35.3812 -35.3802 -35.3802 -5.5323 -5.5323 -4.9478 -4.9478 -4.6126 -4.6126 -4.2136 -4.2136 -4.1304 -4.1304 -4.1144 -4.1144 -1.0355 -1.0355 0.3652 0.3652 2.0547 2.0547 2.1687 2.1687 2.7921 2.7921 2.9353 2.9353 2.9924 2.9924 3.5611 3.5611 4.0780 4.0780 4.1434 4.1434 4.2186 4.2186 4.2920 4.2920 4.5955 4.5955 4.9256 4.9256 5.0578 5.0578 5.2006 5.2006 5.4466 5.4466 5.5625 5.5625 6.1088 6.1088 6.2550 6.2550 6.6627 6.6627 6.8922 6.8922 6.9839 6.9839 7.1228 7.1228 7.2098 7.2098 7.8485 7.8485 8.4120 8.4120 8.4427 8.4427 8.5759 8.5759 k = 0.5000-0.4064-0.2702 ( 22196 PWs) bands (ev): -64.3296 -64.3296 -64.3282 -64.3282 -36.3960 -36.3960 -36.3957 -36.3957 -35.4491 -35.4491 -35.4491 -35.4491 -35.3812 -35.3812 -35.3802 -35.3802 -5.5323 -5.5323 -4.9478 -4.9478 -4.6126 -4.6126 -4.2136 -4.2136 -4.1304 -4.1304 -4.1144 -4.1144 -1.0355 -1.0355 0.3652 0.3652 2.0547 2.0547 2.1687 2.1687 2.7921 2.7921 2.9353 2.9353 2.9924 2.9924 3.5611 3.5611 4.0780 4.0780 4.1434 4.1434 4.2186 4.2186 4.2920 4.2920 4.5955 4.5955 4.9256 4.9256 5.0578 5.0578 5.2006 5.2006 5.4466 5.4466 5.5625 5.5625 6.1088 6.1088 6.2550 6.2550 6.6627 6.6627 6.8922 6.8922 6.9839 6.9839 7.1228 7.1228 7.2098 7.2098 7.8485 7.8485 8.4120 8.4120 8.4427 8.4427 8.5759 8.5759 k = 0.5000-0.3928-0.2906 ( 22194 PWs) bands (ev): -64.3293 -64.3293 -64.3284 -64.3284 -36.3960 -36.3960 -36.3956 -36.3956 -35.4491 -35.4491 -35.4490 -35.4490 -35.3812 -35.3812 -35.3802 -35.3802 -5.5315 -5.5315 -4.9470 -4.9470 -4.6123 -4.6123 -4.2141 -4.2141 -4.1357 -4.1357 -4.1121 -4.1121 -1.0336 -1.0336 0.3668 0.3668 2.0535 2.0535 2.1706 2.1706 2.7888 2.7888 2.9341 2.9341 2.9916 2.9916 3.5589 3.5589 4.0796 4.0796 4.1461 4.1461 4.2182 4.2182 4.2965 4.2965 4.5951 4.5951 4.9220 4.9220 5.0556 5.0556 5.2046 5.2046 5.4408 5.4408 5.5731 5.5731 6.1071 6.1071 6.2551 6.2551 6.6617 6.6617 6.8898 6.8898 6.9844 6.9844 7.1234 7.1234 7.2083 7.2083 7.8519 7.8519 8.4125 8.4125 8.4416 8.4416 8.5739 8.5739 k = 0.5000-0.3793-0.3110 ( 22210 PWs) bands (ev): -64.3295 -64.3295 -64.3287 -64.3287 -36.3960 -36.3960 -36.3956 -36.3956 -35.4492 -35.4492 -35.4491 -35.4491 -35.3813 -35.3813 -35.3802 -35.3802 -5.5293 -5.5293 -4.9446 -4.9446 -4.6115 -4.6115 -4.2158 -4.2158 -4.1466 -4.1466 -4.1095 -4.1095 -1.0280 -1.0280 0.3716 0.3716 2.0502 2.0502 2.1763 2.1763 2.7788 2.7788 2.9305 2.9305 2.9893 2.9893 3.5525 3.5525 4.0835 4.0835 4.1542 4.1542 4.2183 4.2183 4.3086 4.3086 4.5936 4.5936 4.9118 4.9118 5.0494 5.0494 5.2144 5.2144 5.4302 5.4302 5.5982 5.5982 6.1023 6.1023 6.2554 6.2554 6.6579 6.6579 6.8820 6.8820 6.9862 6.9862 7.1223 7.1223 7.2053 7.2053 7.8590 7.8590 8.4123 8.4123 8.4388 8.4388 8.5690 8.5690 k = 0.5000-0.3657-0.3315 ( 22214 PWs) bands (ev): -64.3295 -64.3295 -64.3289 -64.3289 -36.3961 -36.3961 -36.3956 -36.3956 -35.4492 -35.4492 -35.4491 -35.4491 -35.3813 -35.3813 -35.3802 -35.3802 -5.5256 -5.5256 -4.9405 -4.9405 -4.6101 -4.6101 -4.2203 -4.2203 -4.1586 -4.1586 -4.1093 -4.1093 -1.0188 -1.0188 0.3795 0.3795 2.0454 2.0454 2.1853 2.1853 2.7624 2.7624 2.9246 2.9246 2.9859 2.9859 3.5422 3.5422 4.0892 4.0892 4.1666 4.1666 4.2218 4.2218 4.3264 4.3264 4.5909 4.5909 4.8974 4.8974 5.0402 5.0402 5.2263 5.2263 5.4245 5.4245 5.6295 5.6295 6.0944 6.0944 6.2564 6.2564 6.6529 6.6529 6.8706 6.8706 6.9894 6.9894 7.1204 7.1204 7.2012 7.2012 7.8707 7.8707 8.4111 8.4111 8.4356 8.4356 8.5637 8.5637 k = 0.5000-0.3521-0.3519 ( 22198 PWs) bands (ev): -64.3294 -64.3294 -64.3285 -64.3285 -36.3960 -36.3960 -36.3956 -36.3956 -35.4491 -35.4491 -35.4491 -35.4491 -35.3812 -35.3812 -35.3802 -35.3802 -5.5204 -5.5204 -4.9349 -4.9349 -4.6083 -4.6083 -4.2302 -4.2302 -4.1685 -4.1685 -4.1120 -4.1120 -1.0064 -1.0064 0.3901 0.3901 2.0402 2.0402 2.1971 2.1971 2.7402 2.7402 2.9162 2.9162 2.9824 2.9824 3.5284 3.5284 4.0961 4.0961 4.1806 4.1806 4.2314 4.2314 4.3482 4.3482 4.5865 4.5865 4.8807 4.8807 5.0284 5.0284 5.2365 5.2365 5.4291 5.4291 5.6619 5.6619 6.0839 6.0839 6.2595 6.2595 6.6465 6.6465 6.8557 6.8557 6.9946 6.9946 7.1187 7.1187 7.1972 7.1972 7.8860 7.8860 8.4051 8.4051 8.4347 8.4347 8.5609 8.5609 k = 0.5000-0.3386-0.3723 ( 22208 PWs) bands (ev): -64.3296 -64.3296 -64.3287 -64.3287 -36.3960 -36.3960 -36.3957 -36.3957 -35.4492 -35.4492 -35.4491 -35.4491 -35.3812 -35.3812 -35.3803 -35.3803 -5.5139 -5.5139 -4.9277 -4.9277 -4.6062 -4.6062 -4.2473 -4.2473 -4.1737 -4.1737 -4.1176 -4.1176 -0.9913 -0.9913 0.4031 0.4031 2.0352 2.0352 2.2112 2.2112 2.7130 2.7130 2.9046 2.9046 2.9799 2.9799 3.5113 3.5113 4.1038 4.1038 4.1933 4.1933 4.2489 4.2489 4.3728 4.3728 4.5796 4.5796 4.8640 4.8640 5.0150 5.0150 5.2429 5.2429 5.4449 5.4449 5.6924 5.6924 6.0705 6.0705 6.2634 6.2634 6.6367 6.6367 6.8376 6.8376 6.9986 6.9986 7.1163 7.1163 7.1917 7.1917 7.9032 7.9032 8.3924 8.3924 8.4367 8.4367 8.5616 8.5616 k = 0.5000-0.3250-0.3927 ( 22206 PWs) bands (ev): -64.3294 -64.3294 -64.3287 -64.3287 -36.3960 -36.3960 -36.3957 -36.3957 -35.4492 -35.4492 -35.4491 -35.4491 -35.3812 -35.3812 -35.3803 -35.3803 -5.5060 -5.5060 -4.9189 -4.9189 -4.6039 -4.6039 -4.2710 -4.2710 -4.1745 -4.1745 -4.1257 -4.1257 -0.9739 -0.9739 0.4182 0.4182 2.0314 2.0314 2.2272 2.2272 2.6820 2.6820 2.8899 2.8899 2.9792 2.9792 3.4915 3.4915 4.1120 4.1120 4.2047 4.2047 4.2728 4.2728 4.3994 4.3994 4.5702 4.5702 4.8489 4.8489 5.0009 5.0009 5.2467 5.2467 5.4694 5.4694 5.7193 5.7193 6.0549 6.0549 6.2702 6.2702 6.6260 6.6260 6.8171 6.8171 7.0024 7.0024 7.1137 7.1137 7.1850 7.1850 7.9219 7.9219 8.3767 8.3767 8.4419 8.4419 8.5675 8.5675 k = 0.5000-0.3114-0.4131 ( 22200 PWs) bands (ev): -64.3295 -64.3295 -64.3284 -64.3284 -36.3959 -36.3959 -36.3957 -36.3957 -35.4491 -35.4491 -35.4491 -35.4491 -35.3811 -35.3811 -35.3804 -35.3804 -5.4970 -5.4970 -4.9086 -4.9086 -4.6016 -4.6016 -4.2994 -4.2994 -4.1727 -4.1727 -4.1358 -4.1358 -0.9549 -0.9549 0.4347 0.4347 2.0296 2.0296 2.2448 2.2448 2.6486 2.6486 2.8724 2.8724 2.9805 2.9805 3.4693 3.4693 4.1198 4.1198 4.2153 4.2153 4.3002 4.3002 4.4270 4.4270 4.5590 4.5590 4.8363 4.8363 4.9868 4.9868 5.2491 5.2491 5.4989 5.4989 5.7413 5.7413 6.0382 6.0382 6.2795 6.2795 6.6127 6.6127 6.7948 6.7948 7.0073 7.0073 7.1110 7.1110 7.1790 7.1790 7.9395 7.9395 8.3607 8.3607 8.4483 8.4483 8.5785 8.5785 k = 0.5000-0.2979-0.4335 ( 22194 PWs) bands (ev): -64.3292 -64.3292 -64.3286 -64.3286 -36.3960 -36.3960 -36.3957 -36.3957 -35.4491 -35.4491 -35.4490 -35.4490 -35.3811 -35.3811 -35.3803 -35.3803 -5.4868 -5.4868 -4.8968 -4.8968 -4.5997 -4.5997 -4.3309 -4.3309 -4.1694 -4.1694 -4.1474 -4.1474 -0.9349 -0.9349 0.4522 0.4522 2.0304 2.0304 2.2630 2.2630 2.6146 2.6146 2.8532 2.8532 2.9833 2.9833 3.4456 3.4456 4.1263 4.1263 4.2250 4.2250 4.3286 4.3286 4.4544 4.4544 4.5482 4.5482 4.8267 4.8267 4.9735 4.9735 5.2512 5.2512 5.5299 5.5299 5.7573 5.7573 6.0210 6.0210 6.2910 6.2910 6.5984 6.5984 6.7714 6.7714 7.0109 7.0109 7.1086 7.1086 7.1722 7.1722 7.9565 7.9565 8.3457 8.3457 8.4558 8.4558 8.5945 8.5945 k = 0.5000-0.2843-0.4539 ( 22200 PWs) bands (ev): -64.3292 -64.3292 -64.3288 -64.3288 -36.3960 -36.3960 -36.3957 -36.3957 -35.4492 -35.4492 -35.4490 -35.4490 -35.3811 -35.3811 -35.3804 -35.3804 -5.4758 -5.4758 -4.8836 -4.8836 -4.5983 -4.5983 -4.3646 -4.3646 -4.1675 -4.1675 -4.1574 -4.1574 -0.9147 -0.9147 0.4700 0.4700 2.0346 2.0346 2.2805 2.2805 2.5823 2.5823 2.8332 2.8332 2.9869 2.9869 3.4213 3.4213 4.1299 4.1299 4.2327 4.2327 4.3563 4.3563 4.4786 4.4786 4.5424 4.5424 4.8198 4.8198 4.9609 4.9609 5.2531 5.2531 5.5590 5.5590 5.7669 5.7669 6.0050 6.0050 6.3044 6.3044 6.5827 6.5827 6.7463 6.7463 7.0151 7.0151 7.1059 7.1059 7.1660 7.1660 7.9706 7.9706 8.3335 8.3335 8.4635 8.4635 8.6142 8.6142 k = 0.5000-0.2707-0.4743 ( 22190 PWs) bands (ev): -64.3290 -64.3290 -64.3286 -64.3286 -36.3959 -36.3959 -36.3957 -36.3957 -35.4491 -35.4491 -35.4490 -35.4490 -35.3810 -35.3810 -35.3804 -35.3804 -5.4640 -5.4640 -4.8691 -4.8691 -4.5979 -4.5979 -4.3996 -4.3996 -4.1767 -4.1767 -4.1559 -4.1559 -0.8949 -0.8949 0.4875 0.4875 2.0428 2.0428 2.2945 2.2945 2.5553 2.5553 2.8133 2.8133 2.9908 2.9908 3.3976 3.3976 4.1289 4.1289 4.2380 4.2380 4.3821 4.3821 4.4948 4.4948 4.5492 4.5492 4.8150 4.8150 4.9495 4.9495 5.2546 5.2546 5.5835 5.5835 5.7705 5.7705 5.9917 5.9917 6.3196 6.3196 6.5671 6.5671 6.7210 6.7210 7.0192 7.0192 7.1036 7.1036 7.1607 7.1607 7.9833 7.9833 8.3252 8.3252 8.4714 8.4714 8.6380 8.6380 k = 0.5000-0.2572-0.4947 ( 22182 PWs) bands (ev): -64.3290 -64.3290 -64.3284 -64.3284 -36.3958 -36.3958 -36.3957 -36.3957 -35.4490 -35.4490 -35.4490 -35.4490 -35.3810 -35.3810 -35.3805 -35.3805 -5.4517 -5.4517 -4.8533 -4.8533 -4.5988 -4.5988 -4.4353 -4.4353 -4.1895 -4.1895 -4.1496 -4.1496 -0.8761 -0.8761 0.5041 0.5041 2.0554 2.0554 2.3009 2.3009 2.5386 2.5386 2.7942 2.7942 2.9939 2.9939 3.3760 3.3760 4.1206 4.1206 4.2412 4.2412 4.4049 4.4049 4.5035 4.5035 4.5688 4.5688 4.8116 4.8116 4.9389 4.9389 5.2550 5.2550 5.6010 5.6010 5.7692 5.7692 5.9820 5.9820 6.3351 6.3351 6.5519 6.5519 6.6957 6.6957 7.0234 7.0234 7.1018 7.1018 7.1554 7.1554 7.9944 7.9944 8.3194 8.3194 8.4796 8.4796 8.6633 8.6633 k = 0.5000-0.2436-0.5151 ( 22180 PWs) bands (ev): -64.3289 -64.3289 -64.3284 -64.3284 -36.3958 -36.3958 -36.3957 -36.3957 -35.4490 -35.4490 -35.4490 -35.4490 -35.3809 -35.3809 -35.3805 -35.3805 -5.4392 -5.4392 -4.8364 -4.8364 -4.6017 -4.6017 -4.4709 -4.4709 -4.2018 -4.2018 -4.1423 -4.1423 -0.8591 -0.8591 0.5193 0.5193 2.0727 2.0727 2.2953 2.2953 2.5372 2.5372 2.7764 2.7764 2.9954 2.9954 3.3579 3.3579 4.1033 4.1033 4.2440 4.2440 4.4235 4.4235 4.5119 4.5119 4.5932 4.5932 4.8091 4.8091 4.9283 4.9283 5.2536 5.2536 5.6100 5.6100 5.7646 5.7646 5.9759 5.9759 6.3497 6.3497 6.5385 6.5385 6.6713 6.6713 7.0283 7.0283 7.1003 7.1003 7.1508 7.1508 8.0050 8.0050 8.3135 8.3135 8.4887 8.4887 8.6862 8.6862 k = 0.5000-0.2300-0.5355 ( 22182 PWs) bands (ev): -64.3291 -64.3291 -64.3283 -64.3283 -36.3958 -36.3958 -36.3957 -36.3957 -35.4491 -35.4491 -35.4490 -35.4490 -35.3808 -35.3808 -35.3806 -35.3806 -5.4269 -5.4269 -4.8186 -4.8186 -4.6068 -4.6068 -4.5057 -4.5057 -4.2124 -4.2124 -4.1342 -4.1342 -0.8442 -0.8442 0.5325 0.5325 2.0945 2.0945 2.2775 2.2775 2.5518 2.5518 2.7604 2.7604 2.9948 2.9948 3.3449 3.3449 4.0771 4.0771 4.2475 4.2475 4.4379 4.4379 4.5221 4.5221 4.6171 4.6171 4.8069 4.8069 4.9175 4.9175 5.2498 5.2498 5.6109 5.6109 5.7581 5.7581 5.9722 5.9722 6.3627 6.3627 6.5278 6.5278 6.6487 6.6487 7.0329 7.0329 7.0993 7.0993 7.1470 7.1470 8.0158 8.0158 8.3053 8.3053 8.4994 8.4994 8.7024 8.7024 k = 0.5000-0.2164-0.5559 ( 22172 PWs) bands (ev): -64.3288 -64.3288 -64.3282 -64.3282 -36.3957 -36.3957 -36.3957 -36.3957 -35.4490 -35.4490 -35.4489 -35.4489 -35.3807 -35.3807 -35.3806 -35.3806 -5.4152 -5.4152 -4.8003 -4.8003 -4.6145 -4.6145 -4.5388 -4.5388 -4.2207 -4.2207 -4.1256 -4.1256 -0.8319 -0.8319 0.5435 0.5435 2.1201 2.1201 2.2518 2.2518 2.5789 2.5789 2.7465 2.7465 2.9921 2.9921 3.3382 3.3382 4.0438 4.0438 4.2518 4.2518 4.4483 4.4483 4.5323 4.5323 4.6377 4.6377 4.8051 4.8051 4.9060 4.9060 5.2431 5.2431 5.6063 5.6063 5.7504 5.7504 5.9689 5.9689 6.3733 6.3733 6.5225 6.5225 6.6299 6.6299 7.0379 7.0379 7.0995 7.0995 7.1446 7.1446 8.0281 8.0281 8.2916 8.2916 8.5133 8.5133 8.7061 8.7061 k = 0.5000-0.2029-0.5763 ( 22170 PWs) bands (ev): -64.3288 -64.3288 -64.3282 -64.3282 -36.3958 -36.3958 -36.3957 -36.3957 -35.4490 -35.4490 -35.4489 -35.4489 -35.3807 -35.3807 -35.3806 -35.3806 -5.4045 -5.4045 -4.7822 -4.7822 -4.6246 -4.6246 -4.5691 -4.5691 -4.2261 -4.2261 -4.1165 -4.1165 -0.8227 -0.8227 0.5519 0.5519 2.1455 2.1455 2.2260 2.2260 2.6132 2.6132 2.7349 2.7349 2.9884 2.9884 3.3382 3.3382 4.0056 4.0056 4.2564 4.2564 4.4547 4.4547 4.5403 4.5403 4.6524 4.6524 4.8041 4.8041 4.8936 4.8936 5.2332 5.2332 5.5996 5.5996 5.7412 5.7412 5.9634 5.9634 6.3808 6.3808 6.5225 6.5225 6.6147 6.6147 7.0422 7.0422 7.1003 7.1003 7.1432 7.1432 8.0411 8.0411 8.2702 8.2702 8.5305 8.5305 8.6978 8.6978 k = 0.5000-0.1893-0.5967 ( 22180 PWs) bands (ev): -64.3290 -64.3290 -64.3283 -64.3283 -36.3958 -36.3958 -36.3957 -36.3957 -35.4491 -35.4491 -35.4490 -35.4490 -35.3808 -35.3808 -35.3806 -35.3806 -5.3957 -5.3957 -4.7654 -4.7654 -4.6362 -4.6362 -4.5958 -4.5958 -4.2284 -4.2284 -4.1069 -4.1069 -0.8167 -0.8167 0.5576 0.5576 2.1524 2.1524 2.2207 2.2207 2.6487 2.6487 2.7278 2.7278 2.9862 2.9862 3.3445 3.3445 3.9643 3.9643 4.2602 4.2602 4.4565 4.4565 4.5449 4.5449 4.6585 4.6585 4.8047 4.8047 4.8802 4.8802 5.2202 5.2202 5.5938 5.5938 5.7306 5.7306 5.9538 5.9538 6.3856 6.3856 6.5270 6.5270 6.6039 6.6039 7.0462 7.0462 7.1018 7.1018 7.1430 7.1430 8.0539 8.0539 8.2415 8.2415 8.5501 8.5501 8.6866 8.6866 k = 0.5000-0.1757-0.6171 ( 22186 PWs) bands (ev): -64.3290 -64.3290 -64.3286 -64.3286 -36.3958 -36.3958 -36.3957 -36.3957 -35.4491 -35.4491 -35.4490 -35.4490 -35.3808 -35.3808 -35.3806 -35.3806 -5.3891 -5.3891 -4.7528 -4.7528 -4.6469 -4.6469 -4.6174 -4.6174 -4.2275 -4.2275 -4.0969 -4.0969 -0.8142 -0.8142 0.5605 0.5605 2.1292 2.1292 2.2481 2.2481 2.6727 2.6727 2.7335 2.7335 2.9892 2.9892 3.3564 3.3564 3.9219 3.9219 4.2626 4.2626 4.4529 4.4529 4.5461 4.5461 4.6542 4.6542 4.8057 4.8057 4.8676 4.8676 5.2047 5.2047 5.5902 5.5902 5.7195 5.7195 5.9396 5.9396 6.3889 6.3889 6.5365 6.5365 6.5993 6.5993 7.0490 7.0490 7.1038 7.1038 7.1443 7.1443 8.0635 8.0635 8.2097 8.2097 8.5690 8.5690 8.6824 8.6824 k = 0.5000-0.1622-0.6375 ( 22184 PWs) bands (ev): -64.3288 -64.3288 -64.3287 -64.3287 -36.3958 -36.3958 -36.3957 -36.3957 -35.4491 -35.4491 -35.4490 -35.4490 -35.3809 -35.3809 -35.3805 -35.3805 -5.3856 -5.3856 -4.7489 -4.7489 -4.6547 -4.6547 -4.6306 -4.6306 -4.2235 -4.2235 -4.0867 -4.0867 -0.8151 -0.8151 0.5608 0.5608 2.0975 2.0975 2.2867 2.2867 2.6744 2.6744 2.7590 2.7590 3.0021 3.0021 3.3729 3.3729 3.8794 3.8794 4.2628 4.2628 4.4428 4.4428 4.5437 4.5437 4.6405 4.6405 4.8030 4.8030 4.8604 4.8604 5.1873 5.1873 5.5879 5.5879 5.7096 5.7096 5.9216 5.9216 6.3911 6.3911 6.5489 6.5489 6.6006 6.6006 7.0511 7.0511 7.1075 7.1075 7.1482 7.1482 8.0632 8.0632 8.1840 8.1840 8.5813 8.5813 8.6907 8.6907 k = 0.5000-0.1486-0.6579 ( 22182 PWs) bands (ev): -64.3287 -64.3287 -64.3287 -64.3287 -36.3959 -36.3959 -36.3957 -36.3957 -35.4491 -35.4491 -35.4490 -35.4490 -35.3809 -35.3809 -35.3805 -35.3805 -5.3857 -5.3857 -4.7563 -4.7563 -4.6628 -4.6628 -4.6281 -4.6281 -4.2168 -4.2168 -4.0762 -4.0762 -0.8195 -0.8195 0.5586 0.5586 2.0650 2.0650 2.3273 2.3273 2.6653 2.6653 2.7892 2.7892 3.0288 3.0288 3.3927 3.3927 3.8380 3.8380 4.2598 4.2598 4.4255 4.4255 4.5363 4.5363 4.6208 4.6208 4.7922 4.7922 4.8614 4.8614 5.1688 5.1688 5.5833 5.5833 5.7038 5.7038 5.9013 5.9013 6.3930 6.3930 6.5625 6.5625 6.6080 6.6080 7.0519 7.0519 7.1120 7.1120 7.1543 7.1543 8.0441 8.0441 8.1749 8.1749 8.5843 8.5843 8.7084 8.7084 k = 0.5000-0.1350-0.6783 ( 22188 PWs) bands (ev): -64.3289 -64.3289 -64.3288 -64.3288 -36.3959 -36.3959 -36.3957 -36.3957 -35.4491 -35.4491 -35.4490 -35.4490 -35.3810 -35.3810 -35.3804 -35.3804 -5.3898 -5.3898 -4.7728 -4.7728 -4.6702 -4.6702 -4.6126 -4.6126 -4.2076 -4.2076 -4.0655 -4.0655 -0.8271 -0.8271 0.5542 0.5542 2.0335 2.0335 2.3658 2.3658 2.6538 2.6538 2.8160 2.8160 3.0702 3.0702 3.4148 3.4148 3.7989 3.7989 4.2530 4.2530 4.4008 4.4008 4.5208 4.5208 4.6010 4.6010 4.7761 4.7761 4.8678 4.8678 5.1498 5.1498 5.5728 5.5728 5.7041 5.7041 5.8810 5.8810 6.3954 6.3954 6.5759 6.5759 6.6215 6.6215 7.0504 7.0504 7.1162 7.1162 7.1617 7.1617 8.0093 8.0093 8.1808 8.1808 8.5814 8.5814 8.7207 8.7207 k = 0.5000-0.1215-0.6987 ( 22184 PWs) bands (ev): -64.3290 -64.3290 -64.3285 -64.3285 -36.3959 -36.3959 -36.3956 -36.3956 -35.4491 -35.4491 -35.4490 -35.4490 -35.3811 -35.3811 -35.3804 -35.3804 -5.3982 -5.3982 -4.7947 -4.7947 -4.6729 -4.6729 -4.5907 -4.5907 -4.1965 -4.1965 -4.0547 -4.0547 -0.8380 -0.8380 0.5479 0.5479 2.0039 2.0039 2.3983 2.3983 2.6438 2.6438 2.8393 2.8393 3.1236 3.1236 3.4384 3.4384 3.7633 3.7633 4.2421 4.2421 4.3690 4.3690 4.4950 4.4950 4.5852 4.5852 4.7590 4.7590 4.8758 4.8758 5.1309 5.1309 5.5555 5.5555 5.7096 5.7096 5.8634 5.8634 6.3997 6.3997 6.5885 6.5885 6.6402 6.6402 7.0482 7.0482 7.1217 7.1217 7.1715 7.1715 7.9680 7.9680 8.1934 8.1934 8.5756 8.5756 8.7157 8.7157 k = 0.7789 0.0112-0.3823 ( 22184 PWs) bands (ev): -64.3290 -64.3290 -64.3285 -64.3285 -36.3959 -36.3959 -36.3956 -36.3956 -35.4491 -35.4491 -35.4490 -35.4490 -35.3811 -35.3811 -35.3804 -35.3804 -5.3982 -5.3982 -4.7947 -4.7947 -4.6729 -4.6729 -4.5907 -4.5907 -4.1965 -4.1965 -4.0547 -4.0547 -0.8380 -0.8380 0.5479 0.5479 2.0039 2.0039 2.3983 2.3983 2.6438 2.6438 2.8393 2.8393 3.1236 3.1236 3.4384 3.4384 3.7633 3.7633 4.2421 4.2421 4.3690 4.3690 4.4950 4.4950 4.5852 4.5852 4.7590 4.7590 4.8758 4.8758 5.1309 5.1309 5.5555 5.5555 5.7096 5.7096 5.8634 5.8634 6.3997 6.3997 6.5885 6.5885 6.6402 6.6402 7.0482 7.0482 7.1217 7.1217 7.1715 7.1715 7.9680 7.9680 8.1934 8.1934 8.5756 8.5756 8.7157 8.7157 k = 0.7682 0.0200-0.3615 ( 22166 PWs) bands (ev): -64.3286 -64.3286 -64.3283 -64.3283 -36.3959 -36.3959 -36.3956 -36.3956 -35.4491 -35.4491 -35.4489 -35.4489 -35.3811 -35.3811 -35.3802 -35.3802 -5.4111 -5.4111 -4.8203 -4.8203 -4.6696 -4.6696 -4.5650 -4.5650 -4.1834 -4.1834 -4.0436 -4.0436 -0.8521 -0.8521 0.5399 0.5399 1.9760 1.9760 2.4206 2.4206 2.6385 2.6385 2.8615 2.8615 3.1856 3.1856 3.4631 3.4631 3.7322 3.7322 4.2266 4.2266 4.3300 4.3300 4.4612 4.4612 4.5717 4.5717 4.7435 4.7435 4.8839 4.8839 5.1121 5.1121 5.5325 5.5325 5.7169 5.7169 5.8506 5.8506 6.4070 6.4070 6.6016 6.6016 6.6628 6.6628 7.0452 7.0452 7.1282 7.1282 7.1834 7.1834 7.9261 7.9261 8.2078 8.2078 8.5680 8.5680 8.6979 8.6979 k = 0.7574 0.0287-0.3407 ( 22150 PWs) bands (ev): -64.3285 -64.3285 -64.3278 -64.3278 -36.3959 -36.3959 -36.3955 -36.3955 -35.4490 -35.4490 -35.4489 -35.4489 -35.3811 -35.3811 -35.3801 -35.3801 -5.4280 -5.4280 -4.8480 -4.8480 -4.6601 -4.6601 -4.5373 -4.5373 -4.1689 -4.1689 -4.0325 -4.0325 -0.8691 -0.8691 0.5307 0.5307 1.9508 1.9508 2.4289 2.4289 2.6404 2.6404 2.8827 2.8827 3.2500 3.2500 3.4883 3.4883 3.7081 3.7081 4.2055 4.2055 4.2874 4.2874 4.4249 4.4249 4.5571 4.5571 4.7322 4.7322 4.8913 4.8913 5.0936 5.0936 5.5061 5.5061 5.7221 5.7221 5.8444 5.8444 6.4178 6.4178 6.6150 6.6150 6.6874 6.6874 7.0411 7.0411 7.1338 7.1338 7.1955 7.1955 7.8864 7.8864 8.2217 8.2217 8.5582 8.5582 8.6757 8.6757 k = 0.7467 0.0374-0.3199 ( 22158 PWs) bands (ev): -64.3288 -64.3288 -64.3278 -64.3278 -36.3959 -36.3959 -36.3955 -36.3955 -35.4490 -35.4490 -35.4489 -35.4489 -35.3811 -35.3811 -35.3801 -35.3801 -5.4484 -5.4484 -4.8770 -4.8770 -4.6449 -4.6449 -4.5083 -4.5083 -4.1533 -4.1533 -4.0214 -4.0214 -0.8887 -0.8887 0.5206 0.5206 1.9286 1.9286 2.4240 2.4240 2.6481 2.6481 2.9018 2.9018 3.3116 3.3116 3.5148 3.5148 3.6925 3.6925 4.1742 4.1742 4.2480 4.2480 4.3895 4.3895 4.5389 4.5389 4.7261 4.7261 4.8983 4.8983 5.0754 5.0754 5.4777 5.4777 5.7243 5.7243 5.8440 5.8440 6.4322 6.4322 6.6276 6.6276 6.7108 6.7108 7.0361 7.0361 7.1393 7.1393 7.2088 7.2088 7.8495 7.8495 8.2331 8.2331 8.5452 8.5452 8.6523 8.6523 k = 0.7360 0.0461-0.2991 ( 22158 PWs) bands (ev): -64.3287 -64.3287 -64.3278 -64.3278 -36.3959 -36.3959 -36.3955 -36.3955 -35.4490 -35.4490 -35.4489 -35.4489 -35.3812 -35.3812 -35.3800 -35.3800 -5.4716 -5.4716 -4.9065 -4.9065 -4.6244 -4.6244 -4.4783 -4.4783 -4.1369 -4.1369 -4.0105 -4.0105 -0.9106 -0.9106 0.5101 0.5101 1.9094 1.9094 2.4098 2.4098 2.6580 2.6580 2.9158 2.9158 3.3647 3.3647 3.5454 3.5454 3.6860 3.6860 4.1295 4.1295 4.2176 4.2176 4.3591 4.3591 4.5173 4.5173 4.7255 4.7255 4.9054 4.9054 5.0579 5.0579 5.4483 5.4483 5.7255 5.7255 5.8469 5.8469 6.4508 6.4508 6.6417 6.6417 6.7339 6.7339 7.0306 7.0306 7.1442 7.1442 7.2226 7.2226 7.8178 7.8178 8.2422 8.2422 8.5289 8.5289 8.6314 8.6314 k = 0.7253 0.0548-0.2783 ( 22156 PWs) bands (ev): -64.3286 -64.3286 -64.3279 -64.3279 -36.3960 -36.3960 -36.3954 -36.3954 -35.4491 -35.4491 -35.4489 -35.4489 -35.3813 -35.3813 -35.3799 -35.3799 -5.4969 -5.4969 -4.9363 -4.9363 -4.5995 -4.5995 -4.4478 -4.4478 -4.1200 -4.1200 -3.9998 -3.9998 -0.9346 -0.9346 0.4996 0.4996 1.8935 1.8935 2.3901 2.3901 2.6666 2.6666 2.9213 2.9213 3.4049 3.4049 3.5818 3.5818 3.6874 3.6874 4.0778 4.0778 4.1891 4.1891 4.3399 4.3399 4.4944 4.4944 4.7298 4.7298 4.9123 4.9123 5.0419 5.0419 5.4183 5.4183 5.7272 5.7272 5.8508 5.8508 6.4738 6.4738 6.6558 6.6558 6.7557 6.7557 7.0242 7.0242 7.1490 7.1490 7.2381 7.2381 7.7911 7.7911 8.2487 8.2487 8.5088 8.5088 8.6138 8.6138 k = 0.7145 0.0636-0.2575 ( 22152 PWs) bands (ev): -64.3285 -64.3285 -64.3278 -64.3278 -36.3960 -36.3960 -36.3954 -36.3954 -35.4491 -35.4491 -35.4488 -35.4488 -35.3813 -35.3813 -35.3798 -35.3798 -5.5237 -5.5237 -4.9658 -4.9658 -4.5709 -4.5709 -4.4169 -4.4169 -4.1027 -4.1027 -3.9894 -3.9894 -0.9604 -0.9604 0.4893 0.4893 1.8809 1.8809 2.3677 2.3677 2.6721 2.6721 2.9156 2.9156 3.4316 3.4316 3.6196 3.6196 3.6964 3.6964 4.0281 4.0281 4.1533 4.1533 4.3355 4.3355 4.4763 4.4763 4.7378 4.7378 4.9183 4.9183 5.0285 5.0285 5.3881 5.3881 5.7296 5.7296 5.8552 5.8552 6.5000 6.5000 6.6712 6.6712 6.7762 6.7762 7.0183 7.0183 7.1532 7.1532 7.2542 7.2542 7.7697 7.7697 8.2522 8.2522 8.4859 8.4859 8.5985 8.5985 k = 0.7038 0.0723-0.2367 ( 22152 PWs) bands (ev): -64.3287 -64.3287 -64.3276 -64.3276 -36.3960 -36.3960 -36.3954 -36.3954 -35.4491 -35.4491 -35.4489 -35.4489 -35.3814 -35.3814 -35.3797 -35.3797 -5.5514 -5.5514 -4.9950 -4.9950 -4.5392 -4.5392 -4.3858 -4.3858 -4.0853 -4.0853 -3.9793 -3.9793 -0.9878 -0.9878 0.4797 0.4797 1.8718 1.8718 2.3443 2.3443 2.6737 2.6737 2.8983 2.8983 3.4438 3.4438 3.6487 3.6487 3.7160 3.7160 3.9864 3.9864 4.1112 4.1112 4.3359 4.3359 4.4755 4.4755 4.7483 4.7483 4.9217 4.9217 5.0202 5.0202 5.3583 5.3583 5.7312 5.7312 5.8613 5.8613 6.5289 6.5289 6.6868 6.6868 6.7948 6.7948 7.0116 7.0116 7.1564 7.1564 7.2705 7.2705 7.7539 7.7539 8.2522 8.2522 8.4626 8.4626 8.5842 8.5842 k = 0.6931 0.0810-0.2160 ( 22160 PWs) bands (ev): -64.3290 -64.3290 -64.3276 -64.3276 -36.3961 -36.3961 -36.3954 -36.3954 -35.4491 -35.4491 -35.4489 -35.4489 -35.3814 -35.3814 -35.3797 -35.3797 -5.5795 -5.5795 -5.0235 -5.0235 -4.5050 -4.5050 -4.3546 -4.3546 -4.0679 -4.0679 -3.9696 -3.9696 -1.0164 -1.0164 0.4709 0.4709 1.8662 1.8662 2.3208 2.3208 2.6710 2.6710 2.8709 2.8709 3.4370 3.4370 3.6650 3.6650 3.7463 3.7463 3.9535 3.9535 4.0720 4.0720 4.3250 4.3250 4.5054 4.5054 4.7602 4.7602 4.9210 4.9210 5.0192 5.0192 5.3297 5.3297 5.7294 5.7294 5.8715 5.8715 6.5586 6.5586 6.7030 6.7030 6.8110 6.8110 7.0044 7.0044 7.1585 7.1585 7.2865 7.2865 7.7441 7.7441 8.2488 8.2488 8.4403 8.4403 8.5693 8.5693 k = 0.6824 0.0897-0.1952 ( 22168 PWs) bands (ev): -64.3293 -64.3293 -64.3275 -64.3275 -36.3961 -36.3961 -36.3954 -36.3954 -35.4491 -35.4491 -35.4490 -35.4490 -35.3815 -35.3815 -35.3797 -35.3797 -5.6076 -5.6076 -5.0511 -5.0511 -4.4689 -4.4689 -4.3236 -4.3236 -4.0508 -4.0508 -3.9603 -3.9603 -1.0460 -1.0460 0.4632 0.4632 1.8642 1.8642 2.2979 2.2979 2.6638 2.6638 2.8363 2.8363 3.4077 3.4077 3.6728 3.6728 3.7796 3.7796 3.9243 3.9243 4.0493 4.0493 4.3028 4.3028 4.5621 4.5621 4.7724 4.7724 4.9165 4.9165 5.0263 5.0263 5.3035 5.3035 5.7220 5.7220 5.8879 5.8879 6.5885 6.5885 6.7205 6.7205 6.8249 6.8249 6.9972 6.9972 7.1595 7.1595 7.3017 7.3017 7.7411 7.7411 8.2414 8.2414 8.4209 8.4209 8.5533 8.5533 k = 0.6716 0.0984-0.1744 ( 22168 PWs) bands (ev): -64.3290 -64.3290 -64.3279 -64.3279 -36.3962 -36.3962 -36.3953 -36.3953 -35.4492 -35.4492 -35.4489 -35.4489 -35.3816 -35.3816 -35.3795 -35.3795 -5.6352 -5.6352 -5.0778 -5.0778 -4.4313 -4.4313 -4.2928 -4.2928 -4.0340 -4.0340 -3.9516 -3.9516 -1.0764 -1.0764 0.4567 0.4567 1.8658 1.8658 2.2759 2.2759 2.6516 2.6516 2.7980 2.7980 3.3587 3.3587 3.6663 3.6663 3.8104 3.8104 3.9017 3.9017 4.0488 4.0488 4.2771 4.2771 4.6321 4.6321 4.7854 4.7854 4.9114 4.9114 5.0405 5.0405 5.2813 5.2813 5.7085 5.7085 5.9110 5.9110 6.6173 6.6173 6.7386 6.7386 6.8370 6.8370 6.9899 6.9899 7.1593 7.1593 7.3164 7.3164 7.7461 7.7461 8.2297 8.2297 8.4042 8.4042 8.5377 8.5377 k = 0.6609 0.1072-0.1536 ( 22168 PWs) bands (ev): -64.3289 -64.3289 -64.3279 -64.3279 -36.3962 -36.3962 -36.3953 -36.3953 -35.4492 -35.4492 -35.4489 -35.4489 -35.3817 -35.3817 -35.3795 -35.3795 -5.6621 -5.6621 -5.1034 -5.1034 -4.3928 -4.3928 -4.2625 -4.2625 -4.0178 -4.0178 -3.9434 -3.9434 -1.1074 -1.1074 0.4517 0.4517 1.8709 1.8709 2.2551 2.2551 2.6336 2.6336 2.7598 2.7598 3.2963 3.2963 3.6341 3.6341 3.8355 3.8355 3.9004 3.9004 4.0625 4.0625 4.2550 4.2550 4.6983 4.6983 4.8027 4.8027 4.9101 4.9101 5.0600 5.0600 5.2653 5.2653 5.6900 5.6900 5.9400 5.9400 6.6440 6.6440 6.7578 6.7578 6.8469 6.8469 6.9830 6.9830 7.1578 7.1578 7.3292 7.3292 7.7587 7.7587 8.2137 8.2137 8.3898 8.3898 8.5236 8.5236 k = 0.6502 0.1159-0.1328 ( 22176 PWs) bands (ev): -64.3292 -64.3292 -64.3279 -64.3279 -36.3962 -36.3962 -36.3953 -36.3953 -35.4492 -35.4492 -35.4489 -35.4489 -35.3818 -35.3818 -35.3795 -35.3795 -5.6881 -5.6881 -5.1277 -5.1277 -4.3536 -4.3536 -4.2328 -4.2328 -4.0023 -4.0023 -3.9360 -3.9360 -1.1386 -1.1386 0.4481 0.4481 1.8797 1.8797 2.2355 2.2355 2.6086 2.6086 2.7252 2.7252 3.2263 3.2263 3.5772 3.5772 3.8547 3.8547 3.9200 3.9200 4.0801 4.0801 4.2431 4.2431 4.7363 4.7363 4.8313 4.8313 4.9223 4.9223 5.0852 5.0852 5.2584 5.2584 5.6679 5.6679 5.9738 5.9738 6.6670 6.6670 6.7782 6.7782 6.8541 6.8541 6.9762 6.9762 7.1549 7.1549 7.3386 7.3386 7.7797 7.7797 8.1938 8.1938 8.3736 8.3736 8.5148 8.5148 k = 0.6395 0.1246-0.1120 ( 22180 PWs) bands (ev): -64.3293 -64.3293 -64.3279 -64.3279 -36.3963 -36.3963 -36.3953 -36.3953 -35.4492 -35.4492 -35.4489 -35.4489 -35.3819 -35.3819 -35.3794 -35.3794 -5.7129 -5.7129 -5.1507 -5.1507 -4.3144 -4.3144 -4.2039 -4.2039 -3.9876 -3.9876 -3.9292 -3.9292 -1.1697 -1.1697 0.4461 0.4461 1.8920 1.8920 2.2173 2.2173 2.5769 2.5769 2.6961 2.6961 3.1525 3.1525 3.5057 3.5057 3.8708 3.8708 3.9450 3.9450 4.0962 4.0962 4.2478 4.2478 4.7445 4.7445 4.8510 4.8510 4.9588 4.9588 5.1182 5.1182 5.2647 5.2647 5.6442 5.6442 6.0116 6.0116 6.6871 6.6871 6.7996 6.7996 6.8587 6.8587 6.9699 6.9699 7.1505 7.1505 7.3446 7.3446 7.8095 7.8095 8.1718 8.1718 8.3538 8.3538 8.5140 8.5140 k = 0.6287 0.1333-0.0912 ( 22192 PWs) bands (ev): -64.3295 -64.3295 -64.3281 -64.3281 -36.3963 -36.3963 -36.3953 -36.3953 -35.4493 -35.4493 -35.4489 -35.4489 -35.3820 -35.3820 -35.3794 -35.3794 -5.7364 -5.7364 -5.1722 -5.1722 -4.2753 -4.2753 -4.1758 -4.1758 -3.9739 -3.9739 -3.9232 -3.9232 -1.2005 -1.2005 0.4455 0.4455 1.9077 1.9077 2.2004 2.2004 2.5406 2.5406 2.6723 2.6723 3.0776 3.0776 3.4270 3.4270 3.8820 3.8820 3.9641 3.9641 4.1149 4.1149 4.2690 4.2690 4.7398 4.7398 4.8531 4.8531 5.0008 5.0008 5.1590 5.1590 5.2896 5.2896 5.6222 5.6222 6.0528 6.0528 6.7028 6.7028 6.8211 6.8211 6.8620 6.8620 6.9636 6.9636 7.1448 7.1448 7.3464 7.3464 7.8465 7.8465 8.1479 8.1479 8.3301 8.3301 8.5219 8.5219 k = 0.6180 0.1420-0.0704 ( 22204 PWs) bands (ev): -64.3300 -64.3300 -64.3281 -64.3281 -36.3963 -36.3963 -36.3953 -36.3953 -35.4493 -35.4493 -35.4490 -35.4490 -35.3820 -35.3820 -35.3794 -35.3794 -5.7584 -5.7584 -5.1923 -5.1923 -4.2369 -4.2369 -4.1487 -4.1487 -3.9613 -3.9613 -3.9181 -3.9181 -1.2307 -1.2307 0.4464 0.4464 1.9267 1.9267 2.1849 2.1849 2.5029 2.5029 2.6522 2.6522 3.0035 3.0035 3.3450 3.3450 3.8838 3.8838 3.9758 3.9758 4.1441 4.1441 4.3007 4.3007 4.7299 4.7299 4.8463 4.8463 5.0315 5.0315 5.1988 5.1988 5.3330 5.3330 5.6090 5.6090 6.0967 6.0967 6.7157 6.7157 6.8395 6.8395 6.8648 6.8648 6.9583 6.9583 7.1382 7.1382 7.3435 7.3435 7.8902 7.8902 8.1243 8.1243 8.3053 8.3053 8.5365 8.5365 k = 0.6073 0.1507-0.0497 ( 22184 PWs) bands (ev): -64.3296 -64.3296 -64.3278 -64.3278 -36.3963 -36.3963 -36.3952 -36.3952 -35.4492 -35.4492 -35.4489 -35.4489 -35.3821 -35.3821 -35.3793 -35.3793 -5.7788 -5.7788 -5.2108 -5.2108 -4.1994 -4.1994 -4.1228 -4.1228 -3.9499 -3.9499 -3.9139 -3.9139 -1.2599 -1.2599 0.4485 0.4485 1.9486 1.9486 2.1709 2.1709 2.4662 2.4662 2.6344 2.6344 2.9314 2.9314 3.2621 3.2621 3.8733 3.8733 3.9868 3.9868 4.1836 4.1836 4.3372 4.3372 4.7180 4.7180 4.8348 4.8348 5.0531 5.0531 5.2320 5.2320 5.3754 5.3754 5.6197 5.6197 6.1433 6.1433 6.7275 6.7275 6.8483 6.8483 6.8755 6.8755 6.9539 6.9539 7.1313 7.1313 7.3374 7.3374 7.9377 7.9377 8.1019 8.1019 8.2840 8.2840 8.5580 8.5580 k = 0.5965 0.1595-0.0289 ( 22178 PWs) bands (ev): -64.3296 -64.3296 -64.3275 -64.3275 -36.3963 -36.3963 -36.3952 -36.3952 -35.4492 -35.4492 -35.4489 -35.4489 -35.3821 -35.3821 -35.3792 -35.3792 -5.7975 -5.7975 -5.2277 -5.2277 -4.1633 -4.1633 -4.0981 -4.0981 -3.9399 -3.9399 -3.9107 -3.9107 -1.2878 -1.2878 0.4517 0.4517 1.9729 1.9729 2.1588 2.1588 2.4323 2.4323 2.6182 2.6182 2.8623 2.8623 3.1796 3.1796 3.8529 3.8529 4.0000 4.0000 4.2295 4.2295 4.3749 4.3749 4.7053 4.7053 4.8195 4.8195 5.0699 5.0699 5.2597 5.2597 5.3905 5.3905 5.6689 5.6689 6.1921 6.1921 6.7368 6.7368 6.8462 6.8462 6.8924 6.8924 6.9494 6.9494 7.1237 7.1237 7.3268 7.3268 7.9810 7.9810 8.0813 8.0813 8.2719 8.2719 8.5831 8.5831 k = 0.5858 0.1682-0.0081 ( 22174 PWs) bands (ev): -64.3295 -64.3295 -64.3275 -64.3275 -36.3963 -36.3963 -36.3952 -36.3952 -35.4492 -35.4492 -35.4489 -35.4489 -35.3821 -35.3821 -35.3791 -35.3791 -5.8144 -5.8144 -5.2430 -5.2430 -4.1289 -4.1289 -4.0749 -4.0749 -3.9314 -3.9314 -3.9086 -3.9086 -1.3141 -1.3141 0.4557 0.4557 1.9982 1.9982 2.1495 2.1495 2.4024 2.4024 2.6033 2.6033 2.7971 2.7971 3.0988 3.0988 3.8276 3.8276 4.0146 4.0146 4.2788 4.2788 4.4120 4.4120 4.6927 4.6927 4.8020 4.8020 5.0840 5.0840 5.2820 5.2820 5.3818 5.3818 5.7473 5.7473 6.2432 6.2432 6.7437 6.7437 6.8395 6.8395 6.9087 6.9087 6.9468 6.9468 7.1153 7.1153 7.3126 7.3126 8.0093 8.0093 8.0642 8.0642 8.2786 8.2786 8.6119 8.6119 k = 0.5751 0.1769 0.0127 ( 22192 PWs) bands (ev): -64.3299 -64.3299 -64.3277 -64.3277 -36.3963 -36.3963 -36.3952 -36.3952 -35.4492 -35.4492 -35.4490 -35.4490 -35.3822 -35.3822 -35.3792 -35.3792 -5.8295 -5.8295 -5.2565 -5.2565 -4.0966 -4.0966 -4.0531 -4.0531 -3.9246 -3.9246 -3.9075 -3.9075 -1.3384 -1.3384 0.4604 0.4604 2.0223 2.0223 2.1454 2.1454 2.3770 2.3770 2.5895 2.5895 2.7364 2.7364 3.0206 3.0206 3.8008 3.8008 4.0291 4.0291 4.3295 4.3295 4.4473 4.4473 4.6804 4.6804 4.7829 4.7829 5.0954 5.0954 5.2927 5.2927 5.3697 5.3697 5.8362 5.8362 6.2965 6.2965 6.7477 6.7477 6.8292 6.8292 6.9187 6.9187 6.9489 6.9489 7.1068 7.1068 7.2932 7.2932 8.0142 8.0142 8.0514 8.0514 8.3108 8.3108 8.6427 8.6427 k = 0.5644 0.1856 0.0335 ( 22182 PWs) bands (ev): -64.3297 -64.3297 -64.3276 -64.3276 -36.3964 -36.3964 -36.3952 -36.3952 -35.4492 -35.4492 -35.4489 -35.4489 -35.3822 -35.3822 -35.3791 -35.3791 -5.8427 -5.8427 -5.2684 -5.2684 -4.0666 -4.0666 -4.0329 -4.0329 -3.9196 -3.9196 -3.9075 -3.9075 -1.3604 -1.3604 0.4653 0.4653 2.0404 2.0404 2.1509 2.1509 2.3563 2.3563 2.5767 2.5767 2.6805 2.6805 2.9462 2.9462 3.7750 3.7750 4.0428 4.0428 4.3804 4.3804 4.4805 4.4805 4.6693 4.6693 4.7634 4.7634 5.1033 5.1033 5.2836 5.2836 5.3720 5.3720 5.9244 5.9244 6.3523 6.3523 6.7505 6.7505 6.8182 6.8182 6.9207 6.9207 6.9593 6.9593 7.0993 7.0993 7.2711 7.2711 8.0048 8.0048 8.0384 8.0384 8.3654 8.3654 8.6767 8.6767 k = 0.5536 0.1943 0.0543 ( 22162 PWs) bands (ev): -64.3292 -64.3292 -64.3274 -64.3274 -36.3963 -36.3963 -36.3951 -36.3951 -35.4491 -35.4491 -35.4488 -35.4488 -35.3822 -35.3822 -35.3790 -35.3790 -5.8539 -5.8539 -5.2784 -5.2784 -4.0392 -4.0392 -4.0144 -4.0144 -3.9165 -3.9165 -3.9086 -3.9086 -1.3797 -1.3797 0.4702 0.4702 2.0488 2.0488 2.1698 2.1698 2.3404 2.3404 2.5647 2.5647 2.6300 2.6300 2.8770 2.8770 3.7514 3.7514 4.0551 4.0551 4.4299 4.4299 4.5112 4.5112 4.6596 4.6596 4.7441 4.7441 5.1058 5.1058 5.2631 5.2631 5.3852 5.3852 6.0058 6.0058 6.4099 6.4099 6.7510 6.7510 6.8063 6.8063 6.9193 6.9193 6.9737 6.9737 7.0927 7.0927 7.2460 7.2460 7.9922 7.9922 8.0229 8.0229 8.4308 8.4308 8.7131 8.7131 k = 0.5429 0.2031 0.0751 ( 22172 PWs) bands (ev): -64.3294 -64.3294 -64.3275 -64.3275 -36.3964 -36.3964 -36.3951 -36.3951 -35.4492 -35.4492 -35.4488 -35.4488 -35.3823 -35.3823 -35.3790 -35.3790 -5.8632 -5.8632 -5.2866 -5.2866 -4.0148 -4.0148 -3.9978 -3.9978 -3.9155 -3.9155 -3.9108 -3.9108 -1.3959 -1.3959 0.4747 0.4747 2.0493 2.0493 2.2000 2.2000 2.3292 2.3292 2.5517 2.5517 2.5859 2.5859 2.8146 2.8146 3.7309 3.7309 4.0656 4.0656 4.4761 4.4761 4.5396 4.5396 4.6511 4.6511 4.7247 4.7247 5.1004 5.1004 5.2436 5.2436 5.4000 5.4000 6.0762 6.0762 6.4679 6.4679 6.7473 6.7473 6.7934 6.7934 6.9154 6.9154 6.9884 6.9884 7.0871 7.0871 7.2165 7.2165 7.9795 7.9795 8.0069 8.0069 8.4951 8.4951 8.7530 8.7530 k = 0.5322 0.2118 0.0959 ( 22176 PWs) bands (ev): -64.3295 -64.3295 -64.3276 -64.3276 -36.3964 -36.3964 -36.3951 -36.3951 -35.4492 -35.4492 -35.4489 -35.4489 -35.3823 -35.3823 -35.3790 -35.3790 -5.8704 -5.8704 -5.2931 -5.2931 -3.9937 -3.9937 -3.9832 -3.9832 -3.9168 -3.9168 -3.9138 -3.9138 -1.4089 -1.4089 0.4786 0.4786 2.0461 2.0461 2.2355 2.2355 2.3234 2.3234 2.5276 2.5276 2.5576 2.5576 2.7618 2.7618 3.7144 3.7144 4.0740 4.0740 4.5166 4.5166 4.5660 4.5660 4.6443 4.6443 4.7059 4.7059 5.0875 5.0875 5.2311 5.2311 5.4131 5.4131 6.1332 6.1332 6.5240 6.5240 6.7413 6.7413 6.7803 6.7803 6.9121 6.9121 7.0052 7.0052 7.0822 7.0822 7.1851 7.1851 7.9686 7.9686 7.9931 7.9931 8.5508 8.5508 8.7976 8.7976 k = 0.5215 0.2205 0.1166 ( 22184 PWs) bands (ev): -64.3296 -64.3296 -64.3278 -64.3278 -36.3964 -36.3964 -36.3951 -36.3951 -35.4492 -35.4492 -35.4489 -35.4489 -35.3824 -35.3824 -35.3790 -35.3790 -5.8756 -5.8756 -5.2977 -5.2977 -3.9763 -3.9763 -3.9710 -3.9710 -3.9203 -3.9203 -3.9172 -3.9172 -1.4183 -1.4183 0.4816 0.4816 2.0425 2.0425 2.2684 2.2684 2.3265 2.3265 2.4900 2.4900 2.5465 2.5465 2.7214 2.7214 3.7022 3.7022 4.0802 4.0802 4.5480 4.5480 4.5909 4.5909 4.6393 4.6393 4.6878 4.6878 5.0709 5.0709 5.2251 5.2251 5.4231 5.4231 6.1752 6.1752 6.5744 6.5744 6.7344 6.7344 6.7664 6.7664 6.9091 6.9091 7.0237 7.0237 7.0780 7.0780 7.1534 7.1534 7.9600 7.9600 7.9827 7.9827 8.5916 8.5916 8.8444 8.8444 k = 0.5107 0.2292 0.1374 ( 22186 PWs) bands (ev): -64.3296 -64.3296 -64.3278 -64.3278 -36.3964 -36.3964 -36.3951 -36.3951 -35.4492 -35.4492 -35.4489 -35.4489 -35.3824 -35.3824 -35.3790 -35.3790 -5.8787 -5.8787 -5.3005 -5.3005 -3.9637 -3.9637 -3.9622 -3.9622 -3.9243 -3.9243 -3.9208 -3.9208 -1.4241 -1.4241 0.4835 0.4835 2.0399 2.0399 2.2857 2.2857 2.3464 2.3464 2.4520 2.4520 2.5410 2.5410 2.6962 2.6962 3.6948 3.6948 4.0840 4.0840 4.5678 4.5678 4.6125 4.6125 4.6362 4.6362 4.6716 4.6716 5.0574 5.0574 5.2229 5.2229 5.4293 5.4293 6.2010 6.2010 6.6126 6.6126 6.7290 6.7290 6.7531 6.7531 6.9075 6.9075 7.0438 7.0438 7.0731 7.0731 7.1260 7.1260 7.9545 7.9545 7.9767 7.9767 8.6159 8.6159 8.8834 8.8834 k = 0.5000 0.2379 0.1582 ( 22182 PWs) bands (ev): -64.3296 -64.3296 -64.3277 -64.3277 -36.3964 -36.3964 -36.3951 -36.3951 -35.4492 -35.4492 -35.4489 -35.4489 -35.3824 -35.3824 -35.3790 -35.3790 -5.8797 -5.8797 -5.3014 -5.3014 -3.9589 -3.9589 -3.9586 -3.9586 -3.9264 -3.9264 -3.9225 -3.9225 -1.4260 -1.4260 0.4841 0.4841 2.0390 2.0390 2.2893 2.2893 2.3648 2.3648 2.4299 2.4299 2.5391 2.5391 2.6877 2.6877 3.6923 3.6923 4.0852 4.0852 4.5745 4.5745 4.6233 4.6233 4.6350 4.6350 4.6632 4.6632 5.0521 5.0521 5.2225 5.2225 5.4314 5.4314 6.2097 6.2097 6.6280 6.6280 6.7272 6.7272 6.7467 6.7467 6.9071 6.9071 7.0597 7.0597 7.0656 7.0656 7.1137 7.1137 7.9528 7.9528 7.9749 7.9749 8.6238 8.6238 8.8994 8.8994 k = 0.5000 0.2379 0.1582 ( 22182 PWs) bands (ev): -64.3296 -64.3296 -64.3277 -64.3277 -36.3964 -36.3964 -36.3951 -36.3951 -35.4492 -35.4492 -35.4489 -35.4489 -35.3824 -35.3824 -35.3790 -35.3790 -5.8797 -5.8797 -5.3014 -5.3014 -3.9589 -3.9589 -3.9586 -3.9586 -3.9264 -3.9264 -3.9225 -3.9225 -1.4260 -1.4260 0.4841 0.4841 2.0390 2.0390 2.2893 2.2893 2.3648 2.3648 2.4299 2.4299 2.5391 2.5391 2.6877 2.6877 3.6923 3.6923 4.0852 4.0852 4.5745 4.5745 4.6233 4.6233 4.6350 4.6350 4.6632 4.6632 5.0521 5.0521 5.2225 5.2225 5.4314 5.4314 6.2097 6.2097 6.6280 6.6280 6.7272 6.7272 6.7467 6.7467 6.9071 6.9071 7.0597 7.0597 7.0656 7.0656 7.1137 7.1137 7.9528 7.9528 7.9749 7.9749 8.6238 8.6238 8.8994 8.8994 k = 0.4783 0.2276 0.1513 ( 22188 PWs) bands (ev): -64.3296 -64.3296 -64.3279 -64.3279 -36.3964 -36.3964 -36.3951 -36.3951 -35.4492 -35.4492 -35.4489 -35.4489 -35.3824 -35.3824 -35.3789 -35.3789 -5.8814 -5.8814 -5.2991 -5.2991 -3.9590 -3.9590 -3.9586 -3.9586 -3.9263 -3.9263 -3.9224 -3.9224 -1.4264 -1.4264 0.4837 0.4837 2.0377 2.0377 2.2879 2.2879 2.3652 2.3652 2.4288 2.4288 2.5343 2.5343 2.6878 2.6878 3.6902 3.6902 4.0942 4.0942 4.5692 4.5692 4.6034 4.6034 4.6566 4.6566 4.6701 4.6701 5.0543 5.0543 5.2227 5.2227 5.4315 5.4315 6.2103 6.2103 6.6281 6.6281 6.7272 6.7272 6.7467 6.7467 6.9069 6.9069 7.0571 7.0571 7.0669 7.0669 7.1138 7.1138 7.9540 7.9540 7.9762 7.9762 8.6241 8.6241 8.8992 8.8992 k = 0.4565 0.2172 0.1445 ( 22185 PWs) bands (ev): -64.3295 -64.3295 -64.3279 -64.3279 -36.3964 -36.3964 -36.3951 -36.3951 -35.4492 -35.4492 -35.4489 -35.4489 -35.3824 -35.3824 -35.3790 -35.3790 -5.8864 -5.8864 -5.2922 -5.2922 -3.9593 -3.9593 -3.9589 -3.9589 -3.9259 -3.9259 -3.9220 -3.9220 -1.4274 -1.4274 0.4823 0.4823 2.0339 2.0339 2.2839 2.2839 2.3664 2.3664 2.4247 2.4247 2.5208 2.5208 2.6883 2.6883 3.6847 3.6847 4.1199 4.1199 4.5569 4.5569 4.5808 4.5808 4.6844 4.6844 4.6871 4.6871 5.0614 5.0614 5.2237 5.2237 5.4316 5.4316 6.2125 6.2125 6.6287 6.6287 6.7266 6.7266 6.7458 6.7458 6.9067 6.9067 7.0546 7.0546 7.0700 7.0700 7.1144 7.1144 7.9592 7.9592 7.9814 7.9814 8.6241 8.6241 8.8982 8.8982 k = 0.4348 0.2069 0.1376 ( 22167 PWs) bands (ev): -64.3293 -64.3293 -64.3275 -64.3275 -36.3964 -36.3964 -36.3951 -36.3951 -35.4492 -35.4492 -35.4488 -35.4488 -35.3823 -35.3823 -35.3789 -35.3789 -5.8945 -5.8945 -5.2811 -5.2811 -3.9598 -3.9598 -3.9594 -3.9594 -3.9252 -3.9252 -3.9214 -3.9214 -1.4290 -1.4290 0.4801 0.4801 2.0280 2.0280 2.2774 2.2774 2.3681 2.3681 2.4152 2.4152 2.5018 2.5018 2.6892 2.6892 3.6771 3.6771 4.1592 4.1592 4.5432 4.5432 4.5608 4.5608 4.7092 4.7092 4.7131 4.7131 5.0731 5.0731 5.2256 5.2256 5.4319 5.4319 6.2161 6.2161 6.6298 6.6298 6.7259 6.7259 6.7446 6.7446 6.9073 6.9073 7.0518 7.0518 7.0739 7.0739 7.1157 7.1157 7.9683 7.9683 7.9906 7.9906 8.6247 8.6247 8.8970 8.8970 k = 0.4130 0.1966 0.1307 ( 22134 PWs) bands (ev): -64.3288 -64.3288 -64.3268 -64.3268 -36.3963 -36.3963 -36.3950 -36.3950 -35.4491 -35.4491 -35.4486 -35.4486 -35.3823 -35.3823 -35.3788 -35.3788 -5.9051 -5.9051 -5.2662 -5.2662 -3.9604 -3.9604 -3.9599 -3.9599 -3.9243 -3.9243 -3.9205 -3.9205 -1.4314 -1.4314 0.4772 0.4772 2.0202 2.0202 2.2688 2.2688 2.3700 2.3700 2.3956 2.3956 2.4839 2.4839 2.6905 2.6905 3.6686 3.6686 4.2082 4.2082 4.5310 4.5310 4.5439 4.5439 4.7335 4.7335 4.7422 4.7422 5.0894 5.0894 5.2289 5.2289 5.4326 5.4326 6.2211 6.2211 6.6313 6.6313 6.7257 6.7257 6.7440 6.7440 6.9093 6.9093 7.0484 7.0484 7.0777 7.0777 7.1172 7.1172 7.9805 7.9805 8.0030 8.0030 8.6263 8.6263 8.8960 8.8960 k = 0.3913 0.1862 0.1238 ( 22162 PWs) bands (ev): -64.3290 -64.3290 -64.3275 -64.3275 -36.3964 -36.3964 -36.3950 -36.3950 -35.4492 -35.4492 -35.4487 -35.4487 -35.3824 -35.3824 -35.3789 -35.3789 -5.9177 -5.9177 -5.2483 -5.2483 -3.9612 -3.9612 -3.9606 -3.9606 -3.9232 -3.9232 -3.9195 -3.9195 -1.4344 -1.4344 0.4735 0.4735 2.0108 2.0108 2.2583 2.2583 2.3622 2.3622 2.3716 2.3716 2.4726 2.4726 2.6916 2.6916 3.6600 3.6600 4.2630 4.2630 4.5219 4.5219 4.5302 4.5302 4.7577 4.7577 4.7702 4.7702 5.1096 5.1096 5.2344 5.2344 5.4330 5.4330 6.2273 6.2273 6.6326 6.6326 6.7234 6.7234 6.7410 6.7410 6.9072 6.9072 7.0441 7.0441 7.0806 7.0806 7.1180 7.1180 7.9934 7.9934 8.0160 8.0160 8.6269 8.6269 8.8936 8.8936 k = 0.3696 0.1759 0.1169 ( 22174 PWs) bands (ev): -64.3293 -64.3293 -64.3276 -64.3276 -36.3964 -36.3964 -36.3951 -36.3951 -35.4492 -35.4492 -35.4488 -35.4488 -35.3823 -35.3823 -35.3790 -35.3790 -5.9319 -5.9319 -5.2277 -5.2277 -3.9620 -3.9620 -3.9614 -3.9614 -3.9220 -3.9220 -3.9183 -3.9183 -1.4380 -1.4380 0.4693 0.4693 2.0005 2.0005 2.2460 2.2460 2.3178 2.3178 2.3726 2.3726 2.4678 2.4678 2.6922 2.6922 3.6513 3.6513 4.3199 4.3199 4.5175 4.5175 4.5204 4.5204 4.7821 4.7821 4.7973 4.7973 5.1327 5.1327 5.2440 5.2440 5.4337 5.4337 6.2350 6.2350 6.6345 6.6345 6.7204 6.7204 6.7372 6.7372 6.9075 6.9075 7.0400 7.0400 7.0843 7.0843 7.1196 7.1196 8.0097 8.0097 8.0322 8.0322 8.6278 8.6278 8.8909 8.8909 k = 0.3478 0.1655 0.1101 ( 22180 PWs) bands (ev): -64.3295 -64.3295 -64.3277 -64.3277 -36.3964 -36.3964 -36.3951 -36.3951 -35.4492 -35.4492 -35.4488 -35.4488 -35.3823 -35.3823 -35.3790 -35.3790 -5.9471 -5.9471 -5.2053 -5.2053 -3.9629 -3.9629 -3.9622 -3.9622 -3.9207 -3.9207 -3.9171 -3.9171 -1.4422 -1.4422 0.4646 0.4646 1.9896 1.9896 2.2302 2.2302 2.2692 2.2692 2.3727 2.3727 2.4668 2.4668 2.6917 2.6917 3.6423 3.6423 4.3743 4.3743 4.5145 4.5145 4.5200 4.5200 4.8064 4.8064 4.8232 4.8232 5.1559 5.1559 5.2610 5.2610 5.4350 5.4350 6.2440 6.2440 6.6366 6.6366 6.7182 6.7182 6.7342 6.7342 6.9070 6.9070 7.0353 7.0353 7.0873 7.0873 7.1207 7.1207 8.0282 8.0282 8.0504 8.0504 8.6303 8.6303 8.8891 8.8891 k = 0.3261 0.1552 0.1032 ( 22204 PWs) bands (ev): -64.3300 -64.3300 -64.3279 -64.3279 -36.3965 -36.3965 -36.3952 -36.3952 -35.4493 -35.4493 -35.4489 -35.4489 -35.3824 -35.3824 -35.3791 -35.3791 -5.9630 -5.9630 -5.1814 -5.1814 -3.9638 -3.9638 -3.9630 -3.9630 -3.9193 -3.9193 -3.9157 -3.9157 -1.4469 -1.4469 0.4597 0.4597 1.9784 1.9784 2.1968 2.1968 2.2339 2.2339 2.3716 2.3716 2.4685 2.4685 2.6898 2.6898 3.6326 3.6326 4.4207 4.4207 4.5127 4.5127 4.5330 4.5330 4.8296 4.8296 4.8468 4.8468 5.1758 5.1758 5.2887 5.2887 5.4366 5.4366 6.2543 6.2543 6.6388 6.6388 6.7151 6.7151 6.7303 6.7303 6.9064 6.9064 7.0295 7.0295 7.0898 7.0898 7.1215 7.1215 8.0476 8.0476 8.0693 8.0693 8.6332 8.6332 8.8873 8.8873 k = 0.3043 0.1448 0.0963 ( 22216 PWs) bands (ev): -64.3300 -64.3300 -64.3284 -64.3284 -36.3965 -36.3965 -36.3952 -36.3952 -35.4494 -35.4494 -35.4489 -35.4489 -35.3825 -35.3825 -35.3791 -35.3791 -5.9790 -5.9790 -5.1567 -5.1567 -3.9647 -3.9647 -3.9638 -3.9638 -3.9179 -3.9179 -3.9144 -3.9144 -1.4522 -1.4522 0.4546 0.4546 1.9674 1.9674 2.1431 2.1431 2.2171 2.2171 2.3692 2.3692 2.4719 2.4719 2.6863 2.6863 3.6218 3.6218 4.4537 4.4537 4.5149 4.5149 4.5605 4.5605 4.8517 4.8517 4.8682 4.8682 5.1914 5.1914 5.3293 5.3293 5.4391 5.4391 6.2661 6.2661 6.6410 6.6410 6.7131 6.7131 6.7275 6.7275 6.9054 6.9054 7.0235 7.0235 7.0918 7.0918 7.1214 7.1214 8.0680 8.0680 8.0889 8.0889 8.6376 8.6376 8.8867 8.8867 k = 0.2826 0.1345 0.0894 ( 22195 PWs) bands (ev): -64.3294 -64.3294 -64.3282 -64.3282 -36.3965 -36.3965 -36.3951 -36.3951 -35.4493 -35.4493 -35.4488 -35.4488 -35.3824 -35.3824 -35.3791 -35.3791 -5.9950 -5.9950 -5.1315 -5.1315 -3.9656 -3.9656 -3.9647 -3.9647 -3.9165 -3.9165 -3.9130 -3.9130 -1.4578 -1.4578 0.4495 0.4495 1.9567 1.9567 2.0856 2.0856 2.2044 2.2044 2.3655 2.3655 2.4771 2.4771 2.6811 2.6811 3.6097 3.6097 4.4759 4.4759 4.5213 4.5213 4.5989 4.5989 4.8722 4.8722 4.8870 4.8870 5.2040 5.2040 5.3805 5.3805 5.4426 5.4426 6.2796 6.2796 6.6439 6.6439 6.7118 6.7118 6.7253 6.7253 6.9046 6.9046 7.0180 7.0180 7.0946 7.0946 7.1218 7.1218 8.0905 8.0905 8.1104 8.1104 8.6428 8.6428 8.8869 8.8869 k = 0.2609 0.1241 0.0825 ( 22219 PWs) bands (ev): -64.3296 -64.3296 -64.3289 -64.3289 -36.3966 -36.3966 -36.3951 -36.3951 -35.4494 -35.4494 -35.4488 -35.4488 -35.3826 -35.3826 -35.3791 -35.3791 -6.0105 -6.0105 -5.1064 -5.1064 -3.9665 -3.9665 -3.9655 -3.9655 -3.9151 -3.9151 -3.9116 -3.9116 -1.4639 -1.4639 0.4445 0.4445 1.9466 1.9466 2.0282 2.0282 2.1929 2.1929 2.3604 2.3604 2.4835 2.4835 2.6742 2.6742 3.5962 3.5962 4.4935 4.4935 4.5311 4.5311 4.6405 4.6405 4.8904 4.8904 4.9024 4.9024 5.2152 5.2152 5.4392 5.4392 5.4464 5.4464 6.2946 6.2946 6.6462 6.6462 6.7094 6.7094 6.7224 6.7224 6.9030 6.9030 7.0103 7.0103 7.0955 7.0955 7.1204 7.1204 8.1111 8.1111 8.1300 8.1300 8.6475 8.6475 8.8867 8.8867 k = 0.2391 0.1138 0.0757 ( 22237 PWs) bands (ev): -64.3301 -64.3301 -64.3289 -64.3289 -36.3966 -36.3966 -36.3952 -36.3952 -35.4494 -35.4494 -35.4489 -35.4489 -35.3826 -35.3826 -35.3792 -35.3792 -6.0254 -6.0254 -5.0817 -5.0817 -3.9673 -3.9673 -3.9662 -3.9662 -3.9137 -3.9137 -3.9103 -3.9103 -1.4701 -1.4701 0.4398 0.4398 1.9373 1.9373 1.9722 1.9722 2.1825 2.1825 2.3540 2.3540 2.4912 2.4912 2.6658 2.6658 3.5812 3.5812 4.5109 4.5109 4.5445 4.5445 4.6805 4.6805 4.9065 4.9065 4.9144 4.9144 5.2261 5.2261 5.4508 5.4508 5.5027 5.5027 6.3116 6.3116 6.6490 6.6490 6.7069 6.7069 6.7192 6.7192 6.9019 6.9019 7.0019 7.0019 7.0961 7.0961 7.1194 7.1194 8.1320 8.1320 8.1499 8.1499 8.6514 8.6514 8.8861 8.8861 k = 0.2174 0.1034 0.0688 ( 22204 PWs) bands (ev): -64.3294 -64.3294 -64.3285 -64.3285 -36.3966 -36.3966 -36.3950 -36.3950 -35.4494 -35.4494 -35.4487 -35.4487 -35.3826 -35.3826 -35.3790 -35.3790 -6.0396 -6.0396 -5.0579 -5.0579 -3.9680 -3.9680 -3.9669 -3.9669 -3.9124 -3.9124 -3.9090 -3.9090 -1.4766 -1.4766 0.4354 0.4354 1.9188 1.9188 1.9288 1.9288 2.1732 2.1732 2.3468 2.3468 2.5000 2.5000 2.6563 2.6563 3.5649 3.5649 4.5301 4.5301 4.5613 4.5613 4.7168 4.7168 4.9214 4.9214 4.9237 4.9237 5.2373 5.2373 5.4564 5.4564 5.5694 5.5694 6.3312 6.3312 6.6525 6.6525 6.7071 6.7071 6.7193 6.7193 6.9006 6.9006 6.9934 6.9934 7.0966 7.0966 7.1180 7.1180 8.1527 8.1527 8.1700 8.1700 8.6557 8.6557 8.8867 8.8867 k = 0.1957 0.0931 0.0619 ( 22210 PWs) bands (ev): -64.3292 -64.3292 -64.3289 -64.3289 -36.3966 -36.3966 -36.3951 -36.3951 -35.4494 -35.4494 -35.4487 -35.4487 -35.3826 -35.3826 -35.3790 -35.3790 -6.0528 -6.0528 -5.0351 -5.0351 -3.9687 -3.9687 -3.9675 -3.9675 -3.9112 -3.9112 -3.9078 -3.9078 -1.4830 -1.4830 0.4315 0.4315 1.8685 1.8685 1.9212 1.9212 2.1650 2.1650 2.3387 2.3387 2.5095 2.5095 2.6459 2.6459 3.5477 3.5477 4.5504 4.5504 4.5803 4.5803 4.7480 4.7480 4.9293 4.9293 4.9347 4.9347 5.2484 5.2484 5.4619 5.4619 5.6363 5.6363 6.3535 6.3535 6.6556 6.6556 6.7053 6.7053 6.7175 6.7175 6.8988 6.8988 6.9836 6.9836 7.0957 7.0957 7.1157 7.1157 8.1713 8.1713 8.1883 8.1883 8.6567 8.6567 8.8850 8.8850 k = 0.1739 0.0828 0.0550 ( 22183 PWs) bands (ev): -64.3286 -64.3286 -64.3285 -64.3285 -36.3965 -36.3965 -36.3950 -36.3950 -35.4493 -35.4493 -35.4486 -35.4486 -35.3826 -35.3826 -35.3789 -35.3789 -6.0648 -6.0648 -5.0139 -5.0139 -3.9694 -3.9694 -3.9681 -3.9681 -3.9100 -3.9100 -3.9067 -3.9067 -1.4893 -1.4893 0.4281 0.4281 1.8220 1.8220 1.9146 1.9146 2.1578 2.1578 2.3303 2.3303 2.5197 2.5197 2.6351 2.6351 3.5299 3.5299 4.5724 4.5724 4.6016 4.6016 4.7734 4.7734 4.9319 4.9319 4.9478 4.9478 5.2595 5.2595 5.4679 5.4679 5.7011 5.7011 6.3794 6.3794 6.6593 6.6593 6.7045 6.7045 6.7173 6.7173 6.8978 6.8978 6.9735 6.9735 7.0943 7.0943 7.1133 7.1133 8.1897 8.1897 8.2071 8.2071 8.6557 8.6557 8.8825 8.8825 k = 0.1522 0.0724 0.0482 ( 22204 PWs) bands (ev): -64.3292 -64.3292 -64.3286 -64.3286 -36.3966 -36.3966 -36.3950 -36.3950 -35.4495 -35.4495 -35.4486 -35.4486 -35.3827 -35.3827 -35.3789 -35.3789 -6.0757 -6.0757 -4.9944 -4.9944 -3.9699 -3.9699 -3.9686 -3.9686 -3.9090 -3.9090 -3.9057 -3.9057 -1.4953 -1.4953 0.4252 0.4252 1.7797 1.7797 1.9089 1.9089 2.1517 2.1517 2.3217 2.3217 2.5300 2.5300 2.6242 2.6242 3.5120 3.5120 4.5953 4.5953 4.6242 4.6242 4.7920 4.7920 4.9307 4.9307 4.9607 4.9607 5.2701 5.2701 5.4737 5.4737 5.7616 5.7616 6.4090 6.4090 6.6621 6.6621 6.7029 6.7029 6.7162 6.7162 6.8912 6.8912 6.9618 6.9618 7.0910 7.0910 7.1097 7.1097 8.2052 8.2052 8.2244 8.2244 8.6502 8.6502 8.8772 8.8772 k = 0.1304 0.0621 0.0413 ( 22204 PWs) bands (ev): -64.3292 -64.3292 -64.3286 -64.3286 -36.3966 -36.3966 -36.3950 -36.3950 -35.4495 -35.4495 -35.4486 -35.4486 -35.3826 -35.3826 -35.3789 -35.3789 -6.0853 -6.0853 -4.9769 -4.9769 -3.9704 -3.9704 -3.9691 -3.9691 -3.9081 -3.9081 -3.9048 -3.9048 -1.5009 -1.5009 0.4228 0.4228 1.7422 1.7422 1.9042 1.9042 2.1467 2.1467 2.3134 2.3134 2.5401 2.5401 2.6137 2.6137 3.4946 3.4946 4.6190 4.6190 4.6479 4.6479 4.8038 4.8038 4.9267 4.9267 4.9742 4.9742 5.2800 5.2800 5.4795 5.4795 5.8157 5.8157 6.4428 6.4428 6.6655 6.6655 6.7014 6.7014 6.7155 6.7155 6.8830 6.8830 6.9507 6.9507 7.0874 7.0874 7.1065 7.1065 8.2205 8.2205 8.2424 8.2424 8.6418 8.6418 8.8705 8.8705 k = 0.1087 0.0517 0.0344 ( 22189 PWs) bands (ev): -64.3287 -64.3287 -64.3285 -64.3285 -36.3966 -36.3966 -36.3950 -36.3950 -35.4494 -35.4494 -35.4486 -35.4486 -35.3826 -35.3826 -35.3789 -35.3789 -6.0935 -6.0935 -4.9617 -4.9617 -3.9708 -3.9708 -3.9695 -3.9695 -3.9073 -3.9073 -3.9040 -3.9040 -1.5060 -1.5060 0.4209 0.4209 1.7097 1.7097 1.9005 1.9005 2.1426 2.1426 2.3057 2.3057 2.5498 2.5498 2.6040 2.6040 3.4785 3.4785 4.6427 4.6427 4.6719 4.6719 4.8094 4.8094 4.9203 4.9203 4.9877 4.9877 5.2889 5.2889 5.4848 5.4848 5.8622 5.8622 6.4809 6.4809 6.6689 6.6689 6.7002 6.7002 6.7153 6.7153 6.8710 6.8710 6.9420 6.9420 7.0836 7.0836 7.1036 7.1036 8.2349 8.2349 8.2606 8.2606 8.6307 8.6307 8.8626 8.8626 k = 0.0870 0.0414 0.0275 ( 22147 PWs) bands (ev): -64.3283 -64.3283 -64.3275 -64.3275 -36.3965 -36.3965 -36.3948 -36.3948 -35.4492 -35.4492 -35.4484 -35.4484 -35.3825 -35.3825 -35.3788 -35.3788 -6.1003 -6.1003 -4.9489 -4.9489 -3.9711 -3.9711 -3.9698 -3.9698 -3.9067 -3.9067 -3.9034 -3.9034 -1.5103 -1.5103 0.4195 0.4195 1.6827 1.6827 1.8975 1.8975 2.1395 2.1395 2.2989 2.2989 2.5584 2.5584 2.5956 2.5956 3.4642 3.4642 4.6662 4.6662 4.6954 4.6954 4.8099 4.8099 4.9121 4.9121 5.0007 5.0007 5.2966 5.2966 5.4897 5.4897 5.9004 5.9004 6.5237 6.5237 6.6722 6.6722 6.7000 6.7000 6.7165 6.7165 6.8525 6.8525 6.9372 6.9372 7.0798 7.0798 7.1007 7.1007 8.2479 8.2479 8.2786 8.2786 8.6185 8.6185 8.8548 8.8548 k = 0.0652 0.0310 0.0206 ( 22150 PWs) bands (ev): -64.3283 -64.3283 -64.3275 -64.3275 -36.3964 -36.3964 -36.3949 -36.3949 -35.4492 -35.4492 -35.4486 -35.4486 -35.3824 -35.3824 -35.3788 -35.3788 -6.1057 -6.1057 -4.9388 -4.9388 -3.9714 -3.9714 -3.9700 -3.9700 -3.9061 -3.9061 -3.9029 -3.9029 -1.5138 -1.5138 0.4184 0.4184 1.6613 1.6613 1.8953 1.8953 2.1372 2.1372 2.2933 2.2933 2.5656 2.5656 2.5887 2.5887 3.4523 3.4523 4.6877 4.6877 4.7169 4.7169 4.8059 4.8059 4.9023 4.9023 5.0114 5.0114 5.3028 5.3028 5.4934 5.4934 5.9294 5.9294 6.5670 6.5670 6.6753 6.6753 6.6980 6.6980 6.7162 6.7162 6.8271 6.8271 6.9329 6.9329 7.0764 7.0764 7.0987 7.0987 8.2578 8.2578 8.2938 8.2938 8.6050 8.6050 8.8464 8.8464 k = 0.0435 0.0207 0.0138 ( 22156 PWs) bands (ev): -64.3282 -64.3282 -64.3278 -64.3278 -36.3964 -36.3964 -36.3949 -36.3949 -35.4492 -35.4492 -35.4486 -35.4486 -35.3824 -35.3824 -35.3788 -35.3788 -6.1095 -6.1095 -4.9315 -4.9315 -3.9716 -3.9716 -3.9702 -3.9702 -3.9058 -3.9058 -3.9025 -3.9025 -1.5164 -1.5164 0.4177 0.4177 1.6459 1.6459 1.8938 1.8938 2.1356 2.1356 2.2891 2.2891 2.5708 2.5708 2.5838 2.5838 3.4434 3.4434 4.7068 4.7068 4.7349 4.7349 4.7992 4.7992 4.8927 4.8927 5.0198 5.0198 5.3073 5.3073 5.4963 5.4963 5.9497 5.9497 6.6109 6.6109 6.6774 6.6774 6.6969 6.6969 6.7171 6.7171 6.7968 6.7968 6.9298 6.9298 7.0729 7.0729 7.0963 7.0963 8.2644 8.2644 8.3056 8.3056 8.5934 8.5934 8.8399 8.8399 k = 0.0217 0.0103 0.0069 ( 22177 PWs) bands (ev): -64.3290 -64.3290 -64.3277 -64.3277 -36.3964 -36.3964 -36.3951 -36.3951 -35.4493 -35.4493 -35.4487 -35.4487 -35.3823 -35.3823 -35.3790 -35.3790 -6.1118 -6.1118 -4.9271 -4.9271 -3.9717 -3.9717 -3.9703 -3.9703 -3.9055 -3.9055 -3.9023 -3.9023 -1.5180 -1.5180 0.4173 0.4173 1.6365 1.6365 1.8929 1.8929 2.1346 2.1346 2.2865 2.2865 2.5736 2.5736 2.5813 2.5813 3.4378 3.4378 4.7209 4.7209 4.7476 4.7476 4.7920 4.7920 4.8847 4.8847 5.0247 5.0247 5.3100 5.3100 5.4979 5.4979 5.9618 5.9618 6.6492 6.6492 6.6792 6.6792 6.6946 6.6946 6.7187 6.7187 6.7633 6.7633 6.9275 6.9275 7.0714 7.0714 7.0956 7.0956 8.2687 8.2687 8.3138 8.3138 8.5840 8.5840 8.8345 8.8345 k = 0.0000 0.0000 0.0000 ( 22159 PWs) bands (ev): -64.3282 -64.3282 -64.3279 -64.3279 -36.3965 -36.3965 -36.3949 -36.3949 -35.4493 -35.4493 -35.4485 -35.4485 -35.3823 -35.3823 -35.3789 -35.3789 -6.1126 -6.1126 -4.9256 -4.9256 -3.9717 -3.9717 -3.9703 -3.9703 -3.9055 -3.9055 -3.9022 -3.9022 -1.5185 -1.5185 0.4172 0.4172 1.6335 1.6335 1.8926 1.8926 2.1343 2.1343 2.2856 2.2856 2.5742 2.5742 2.5808 2.5808 3.4359 3.4359 4.7270 4.7270 4.7522 4.7522 4.7887 4.7887 4.8822 4.8822 5.0268 5.0268 5.3110 5.3110 5.4986 5.4986 5.9657 5.9657 6.6693 6.6693 6.6798 6.6798 6.6957 6.6957 6.7287 6.7287 6.7389 6.7389 6.9258 6.9258 7.0706 7.0706 7.0951 7.0951 8.2702 8.2702 8.3167 8.3167 8.5820 8.5820 8.8338 8.8338 k = 0.0000 0.0000 0.0000 ( 22159 PWs) bands (ev): -64.3282 -64.3282 -64.3279 -64.3279 -36.3965 -36.3965 -36.3949 -36.3949 -35.4493 -35.4493 -35.4485 -35.4485 -35.3823 -35.3823 -35.3789 -35.3789 -6.1126 -6.1126 -4.9256 -4.9256 -3.9717 -3.9717 -3.9703 -3.9703 -3.9055 -3.9055 -3.9022 -3.9022 -1.5185 -1.5185 0.4172 0.4172 1.6335 1.6335 1.8926 1.8926 2.1343 2.1343 2.2856 2.2856 2.5742 2.5742 2.5808 2.5808 3.4359 3.4359 4.7270 4.7270 4.7522 4.7522 4.7887 4.7887 4.8822 4.8822 5.0268 5.0268 5.3110 5.3110 5.4986 5.4986 5.9657 5.9657 6.6693 6.6693 6.6798 6.6798 6.6957 6.6957 6.7287 6.7287 6.7389 6.7389 6.9258 6.9258 7.0706 7.0706 7.0951 7.0951 8.2702 8.2702 8.3167 8.3167 8.5820 8.5820 8.8338 8.8338 k = 0.0106-0.0086-0.0206 ( 22179 PWs) bands (ev): -64.3284 -64.3284 -64.3284 -64.3284 -36.3965 -36.3965 -36.3950 -36.3950 -35.4494 -35.4494 -35.4486 -35.4486 -35.3825 -35.3825 -35.3789 -35.3789 -6.1115 -6.1115 -4.9248 -4.9248 -3.9739 -3.9739 -3.9719 -3.9719 -3.9059 -3.9059 -3.9027 -3.9027 -1.5169 -1.5169 0.4167 0.4167 1.6339 1.6339 1.8943 1.8943 2.1353 2.1353 2.2809 2.2809 2.5431 2.5431 2.6253 2.6253 3.4391 3.4391 4.7168 4.7168 4.7542 4.7542 4.7872 4.7872 4.8825 4.8825 5.0319 5.0319 5.3087 5.3087 5.4955 5.4955 5.9611 5.9611 6.6475 6.6475 6.6829 6.6829 6.6910 6.6910 6.7363 6.7363 6.7434 6.7434 6.9254 6.9254 7.0698 7.0698 7.0942 7.0942 8.2702 8.2702 8.3169 8.3169 8.5786 8.5786 8.8232 8.8232 k = 0.0212-0.0172-0.0411 ( 22171 PWs) bands (ev): -64.3284 -64.3284 -64.3281 -64.3281 -36.3965 -36.3965 -36.3950 -36.3950 -35.4493 -35.4493 -35.4486 -35.4486 -35.3824 -35.3824 -35.3789 -35.3789 -6.1083 -6.1083 -4.9226 -4.9226 -3.9812 -3.9812 -3.9754 -3.9754 -3.9072 -3.9072 -3.9041 -3.9041 -1.5118 -1.5118 0.4153 0.4153 1.6352 1.6352 1.8989 1.8989 2.1382 2.1382 2.2673 2.2673 2.5258 2.5258 2.6828 2.6828 3.4485 3.4485 4.6928 4.6928 4.7553 4.7553 4.7838 4.7838 4.8832 4.8832 5.0462 5.0462 5.3018 5.3018 5.4862 5.4862 5.9471 5.9471 6.6069 6.6069 6.6770 6.6770 6.6862 6.6862 6.7478 6.7478 6.7556 6.7556 6.9285 6.9285 7.0710 7.0710 7.0944 7.0944 8.2713 8.2713 8.3188 8.3188 8.5685 8.5685 8.7974 8.7974 k = 0.0318-0.0259-0.0617 ( 22175 PWs) bands (ev): -64.3286 -64.3286 -64.3282 -64.3282 -36.3965 -36.3965 -36.3950 -36.3950 -35.4493 -35.4493 -35.4486 -35.4486 -35.3824 -35.3824 -35.3789 -35.3789 -6.1029 -6.1029 -4.9188 -4.9188 -3.9932 -3.9932 -3.9809 -3.9809 -3.9096 -3.9096 -3.9066 -3.9066 -1.5035 -1.5035 0.4130 0.4130 1.6377 1.6377 1.9057 1.9057 2.1423 2.1423 2.2477 2.2477 2.5261 2.5261 2.7478 2.7478 3.4639 3.4639 4.6602 4.6602 4.7525 4.7525 4.7793 4.7793 4.8830 4.8830 5.0662 5.0662 5.2909 5.2909 5.4714 5.4714 5.9235 5.9235 6.5558 6.5558 6.6636 6.6636 6.6843 6.6843 6.7559 6.7559 6.7690 6.7690 6.9315 6.9315 7.0716 7.0716 7.0951 7.0951 8.2724 8.2724 8.3214 8.3214 8.5504 8.5504 8.7666 8.7666 k = 0.0424-0.0345-0.0822 ( 22155 PWs) bands (ev): -64.3283 -64.3283 -64.3277 -64.3277 -36.3964 -36.3964 -36.3950 -36.3950 -35.4492 -35.4492 -35.4486 -35.4486 -35.3823 -35.3823 -35.3789 -35.3789 -6.0953 -6.0953 -4.9136 -4.9136 -4.0094 -4.0094 -3.9886 -3.9886 -3.9132 -3.9132 -3.9103 -3.9103 -1.4920 -1.4920 0.4100 0.4100 1.6417 1.6417 1.9130 1.9130 2.1450 2.1450 2.2297 2.2297 2.5419 2.5419 2.8184 2.8184 3.4851 3.4851 4.6220 4.6220 4.7461 4.7461 4.7736 4.7736 4.8819 4.8819 5.0884 5.0884 5.2768 5.2768 5.4522 5.4522 5.8900 5.8900 6.4977 6.4977 6.6496 6.6496 6.6830 6.6830 6.7605 6.7605 6.7812 6.7812 6.9370 6.9370 7.0726 7.0726 7.0976 7.0976 8.2733 8.2733 8.3245 8.3245 8.5251 8.5251 8.7398 8.7398 k = 0.0530-0.0431-0.1028 ( 22149 PWs) bands (ev): -64.3283 -64.3283 -64.3275 -64.3275 -36.3964 -36.3964 -36.3950 -36.3950 -35.4492 -35.4492 -35.4486 -35.4486 -35.3823 -35.3823 -35.3789 -35.3789 -6.0857 -6.0857 -4.9070 -4.9070 -4.0292 -4.0292 -3.9984 -3.9984 -3.9180 -3.9180 -3.9153 -3.9153 -1.4776 -1.4776 0.4065 0.4065 1.6475 1.6475 1.9192 1.9192 2.1394 2.1394 2.2250 2.2250 2.5704 2.5704 2.8935 2.8935 3.5115 3.5115 4.5800 4.5800 4.7360 4.7360 4.7654 4.7654 4.8796 4.8796 5.1091 5.1091 5.2609 5.2609 5.4298 5.4298 5.8466 5.8466 6.4347 6.4347 6.6355 6.6355 6.6803 6.6803 6.7608 6.7608 6.7916 6.7916 6.9423 6.9423 7.0728 7.0728 7.1011 7.1011 8.2719 8.2719 8.3262 8.3262 8.4957 8.4957 8.7200 8.7200 k = 0.0636-0.0517-0.1233 ( 22155 PWs) bands (ev): -64.3283 -64.3283 -64.3278 -64.3278 -36.3964 -36.3964 -36.3950 -36.3950 -35.4492 -35.4492 -35.4486 -35.4486 -35.3823 -35.3823 -35.3789 -35.3789 -6.0739 -6.0739 -4.8990 -4.8990 -4.0524 -4.0524 -4.0103 -4.0103 -3.9243 -3.9243 -3.9215 -3.9215 -1.4603 -1.4603 0.4028 0.4028 1.6554 1.6554 1.9226 1.9226 2.1237 2.1237 2.2393 2.2393 2.6090 2.6090 2.9721 2.9721 3.5426 3.5426 4.5355 4.5355 4.7220 4.7220 4.7535 4.7535 4.8766 4.8766 5.1248 5.1248 5.2449 5.2449 5.4053 5.4053 5.7940 5.7940 6.3695 6.3695 6.6214 6.6214 6.6772 6.6772 6.7572 6.7572 6.8002 6.8002 6.9478 6.9478 7.0723 7.0723 7.1052 7.1052 8.2658 8.2658 8.3244 8.3244 8.4691 8.4691 8.7065 8.7065 k = 0.0742-0.0603-0.1439 ( 22153 PWs) bands (ev): -64.3282 -64.3282 -64.3278 -64.3278 -36.3964 -36.3964 -36.3950 -36.3950 -35.4492 -35.4492 -35.4486 -35.4486 -35.3822 -35.3822 -35.3790 -35.3790 -6.0600 -6.0600 -4.8896 -4.8896 -4.0785 -4.0785 -4.0242 -4.0242 -3.9323 -3.9323 -3.9283 -3.9283 -1.4405 -1.4405 0.3991 0.3991 1.6655 1.6655 1.9220 1.9220 2.1059 2.1059 2.2677 2.2677 2.6561 2.6561 3.0538 3.0538 3.5778 3.5778 4.4897 4.4897 4.7027 4.7027 4.7377 4.7377 4.8737 4.8737 5.1326 5.1326 5.2307 5.2307 5.3799 5.3799 5.7349 5.7349 6.3046 6.3046 6.6074 6.6074 6.6735 6.6735 6.7503 6.7503 6.8075 6.8075 6.9539 6.9539 7.0720 7.0720 7.1098 7.1098 8.2524 8.2524 8.3203 8.3203 8.4513 8.4513 8.6981 8.6981 k = 0.0848-0.0690-0.1644 ( 22161 PWs) bands (ev): -64.3284 -64.3284 -64.3279 -64.3279 -36.3964 -36.3964 -36.3950 -36.3950 -35.4493 -35.4493 -35.4486 -35.4486 -35.3822 -35.3822 -35.3790 -35.3790 -6.0441 -6.0441 -4.8789 -4.8789 -4.1073 -4.1073 -4.0400 -4.0400 -3.9420 -3.9420 -3.9359 -3.9359 -1.4183 -1.4183 0.3958 0.3958 1.6782 1.6782 1.9167 1.9167 2.0914 2.0914 2.3060 2.3060 2.7103 2.7103 3.1378 3.1378 3.6162 3.6162 4.4430 4.4430 4.6751 4.6751 4.7190 4.7190 4.8711 4.8711 5.1308 5.1308 5.2176 5.2176 5.3535 5.3535 5.6738 5.6738 6.2414 6.2414 6.5931 6.5931 6.6684 6.6684 6.7399 6.7399 6.8135 6.8135 6.9603 6.9603 7.0716 7.0716 7.1143 7.1143 8.2298 8.2298 8.3158 8.3158 8.4428 8.4428 8.6932 8.6932 k = 0.0954-0.0776-0.1850 ( 22157 PWs) bands (ev): -64.3285 -64.3285 -64.3277 -64.3277 -36.3963 -36.3963 -36.3951 -36.3951 -35.4492 -35.4492 -35.4487 -35.4487 -35.3821 -35.3821 -35.3791 -35.3791 -6.0262 -6.0262 -4.8669 -4.8669 -4.1384 -4.1384 -4.0575 -4.0575 -3.9531 -3.9531 -3.9442 -3.9442 -1.3940 -1.3940 0.3929 0.3929 1.6934 1.6934 1.9073 1.9073 2.0823 2.0823 2.3518 2.3518 2.7708 2.7708 3.2237 3.2237 3.6572 3.6572 4.3963 4.3963 4.6369 4.6369 4.6987 4.6987 4.8697 4.8697 5.1200 5.1200 5.2031 5.2031 5.3241 5.3241 5.6187 5.6187 6.1811 6.1811 6.5782 6.5782 6.6627 6.6627 6.7270 6.7270 6.8187 6.8187 6.9670 6.9670 7.0719 7.0719 7.1190 7.1190 8.2011 8.2011 8.3131 8.3131 8.4408 8.4408 8.6919 8.6919 k = 0.1060-0.0862-0.2055 ( 22141 PWs) bands (ev): -64.3281 -64.3281 -64.3276 -64.3276 -36.3963 -36.3963 -36.3950 -36.3950 -35.4492 -35.4492 -35.4486 -35.4486 -35.3820 -35.3820 -35.3791 -35.3791 -6.0063 -6.0063 -4.8538 -4.8538 -4.1716 -4.1716 -4.0767 -4.0767 -3.9656 -3.9656 -3.9533 -3.9533 -1.3679 -1.3679 0.3909 0.3909 1.7112 1.7112 1.8951 1.8951 2.0787 2.0787 2.4038 2.4038 2.8366 2.8366 3.3106 3.3106 3.6997 3.6997 4.3501 4.3501 4.5880 4.5880 4.6773 4.6773 4.8694 4.8694 5.0984 5.0984 5.1859 5.1859 5.2889 5.2889 5.5785 5.5785 6.1239 6.1239 6.5622 6.5622 6.6572 6.6572 6.7124 6.7124 6.8226 6.8226 6.9738 6.9738 7.0726 7.0726 7.1228 7.1228 8.1713 8.1713 8.3117 8.3117 8.4416 8.4416 8.6934 8.6934 k = 0.1166-0.0948-0.2261 ( 22150 PWs) bands (ev): -64.3284 -64.3284 -64.3276 -64.3276 -36.3963 -36.3963 -36.3951 -36.3951 -35.4492 -35.4492 -35.4487 -35.4487 -35.3820 -35.3820 -35.3792 -35.3792 -5.9845 -5.9845 -4.8396 -4.8396 -4.2064 -4.2064 -4.0974 -4.0974 -3.9792 -3.9792 -3.9631 -3.9631 -1.3402 -1.3402 0.3898 0.3898 1.7317 1.7317 1.8820 1.8820 2.0799 2.0799 2.4606 2.4606 2.9069 2.9069 3.3979 3.3979 3.7426 3.7426 4.3050 4.3050 4.5294 4.5294 4.6540 4.6540 4.8697 4.8697 5.0588 5.0588 5.1683 5.1683 5.2509 5.2509 5.5572 5.5572 6.0697 6.0697 6.5445 6.5445 6.6499 6.6499 6.6939 6.6939 6.8253 6.8253 6.9801 6.9801 7.0725 7.0725 7.1255 7.1255 8.1419 8.1419 8.3109 8.3109 8.4414 8.4414 8.6973 8.6973 k = 0.1273-0.1034-0.2466 ( 22152 PWs) bands (ev): -64.3288 -64.3288 -64.3273 -64.3273 -36.3962 -36.3962 -36.3952 -36.3952 -35.4491 -35.4491 -35.4487 -35.4487 -35.3819 -35.3819 -35.3793 -35.3793 -5.9608 -5.9608 -4.8244 -4.8244 -4.2427 -4.2427 -4.1194 -4.1194 -3.9938 -3.9938 -3.9736 -3.9736 -1.3111 -1.3111 0.3898 0.3898 1.7546 1.7546 1.8697 1.8697 2.0851 2.0851 2.5211 2.5211 2.9811 2.9811 3.4846 3.4846 3.7844 3.7844 4.2615 4.2615 4.4644 4.4644 4.6282 4.6282 4.8692 4.8692 4.9979 4.9979 5.1503 5.1503 5.2211 5.2211 5.5511 5.5511 6.0186 6.0186 6.5250 6.5250 6.6414 6.6414 6.6743 6.6743 6.8265 6.8265 6.9868 6.9868 7.0732 7.0732 7.1275 7.1275 8.1164 8.1164 8.3107 8.3107 8.4397 8.4397 8.7026 8.7026 k = 0.1379-0.1120-0.2672 ( 22146 PWs) bands (ev): -64.3286 -64.3286 -64.3273 -64.3273 -36.3962 -36.3962 -36.3952 -36.3952 -35.4491 -35.4491 -35.4487 -35.4487 -35.3818 -35.3818 -35.3793 -35.3793 -5.9354 -5.9354 -4.8084 -4.8084 -4.2799 -4.2799 -4.1426 -4.1426 -4.0091 -4.0091 -3.9848 -3.9848 -1.2809 -1.2809 0.3910 0.3910 1.7796 1.7796 1.8595 1.8595 2.0938 2.0938 2.5840 2.5840 3.0582 3.0582 3.5693 3.5693 3.8232 3.8232 4.2203 4.2203 4.3969 4.3969 4.5991 4.5991 4.8604 4.8604 4.9289 4.9289 5.1278 5.1278 5.2070 5.2070 5.5538 5.5538 5.9711 5.9711 6.5035 6.5035 6.6306 6.6306 6.6553 6.6553 6.8266 6.8266 6.9929 6.9929 7.0747 7.0747 7.1291 7.1291 8.0958 8.0958 8.3111 8.3111 8.4356 8.4356 8.7093 8.7093 k = 0.1485-0.1207-0.2877 ( 22146 PWs) bands (ev): -64.3287 -64.3287 -64.3272 -64.3272 -36.3961 -36.3961 -36.3952 -36.3952 -35.4491 -35.4491 -35.4488 -35.4488 -35.3817 -35.3817 -35.3794 -35.3794 -5.9082 -5.9082 -4.7918 -4.7918 -4.3179 -4.3179 -4.1668 -4.1668 -4.0251 -4.0251 -3.9967 -3.9967 -1.2499 -1.2499 0.3936 0.3936 1.8052 1.8052 1.8536 1.8536 2.1055 2.1055 2.6477 2.6477 3.1374 3.1374 3.6500 3.6500 3.8566 3.8566 4.1811 4.1811 4.3323 4.3323 4.5647 4.5647 4.8064 4.8064 4.8983 4.8983 5.1011 5.1011 5.2057 5.2057 5.5601 5.5601 5.9271 5.9271 6.4798 6.4798 6.6133 6.6133 6.6406 6.6406 6.8251 6.8251 6.9988 6.9988 7.0761 7.0761 7.1295 7.1295 8.0798 8.0798 8.3120 8.3120 8.4290 8.4290 8.7159 8.7159 k = 0.1591-0.1293-0.3083 ( 22144 PWs) bands (ev): -64.3285 -64.3285 -64.3273 -64.3273 -36.3961 -36.3961 -36.3952 -36.3952 -35.4491 -35.4491 -35.4487 -35.4487 -35.3817 -35.3817 -35.3794 -35.3794 -5.8794 -5.8794 -4.7746 -4.7746 -4.3564 -4.3564 -4.1918 -4.1918 -4.0416 -4.0416 -4.0090 -4.0090 -1.2181 -1.2181 0.3976 0.3976 1.8245 1.8245 1.8595 1.8595 2.1202 2.1202 2.7104 2.7104 3.2178 3.2178 3.7231 3.7231 3.8821 3.8821 4.1419 4.1419 4.2797 4.2797 4.5215 4.5215 4.7269 4.7269 4.8971 4.8971 5.0736 5.0736 5.2116 5.2116 5.5665 5.5665 5.8876 5.8876 6.4542 6.4542 6.5892 6.5892 6.6310 6.6310 6.8221 6.8221 7.0044 7.0044 7.0779 7.0779 7.1293 7.1293 8.0689 8.0689 8.3130 8.3130 8.4208 8.4208 8.7222 8.7222 k = 0.1697-0.1379-0.3288 ( 22150 PWs) bands (ev): -64.3286 -64.3286 -64.3275 -64.3275 -36.3961 -36.3961 -36.3953 -36.3953 -35.4491 -35.4491 -35.4488 -35.4488 -35.3816 -35.3816 -35.3795 -35.3795 -5.8491 -5.8491 -4.7572 -4.7572 -4.3949 -4.3949 -4.2173 -4.2173 -4.0582 -4.0582 -4.0219 -4.0219 -1.1860 -1.1860 0.4029 0.4029 1.8302 1.8302 1.8844 1.8844 2.1377 2.1377 2.7694 2.7694 3.2980 3.2980 3.7812 3.7812 3.8994 3.8994 4.1009 4.1009 4.2490 4.2490 4.4652 4.4652 4.6562 4.6562 4.9008 4.9008 5.0470 5.0470 5.2215 5.2215 5.5707 5.5707 5.8532 5.8532 6.4269 6.4269 6.5614 6.5614 6.6229 6.6229 6.8170 6.8170 7.0092 7.0092 7.0801 7.0801 7.1287 7.1287 8.0625 8.0625 8.3137 8.3137 8.4115 8.4115 8.7276 8.7276 k = 0.1803-0.1465-0.3494 ( 22138 PWs) bands (ev): -64.3286 -64.3286 -64.3271 -64.3271 -36.3960 -36.3960 -36.3953 -36.3953 -35.4491 -35.4491 -35.4488 -35.4488 -35.3815 -35.3815 -35.3796 -35.3796 -5.8174 -5.8174 -4.7399 -4.7399 -4.4332 -4.4332 -4.2433 -4.2433 -4.0747 -4.0747 -4.0353 -4.0353 -1.1536 -1.1536 0.4096 0.4096 1.8327 1.8327 1.9183 1.9183 2.1579 2.1579 2.8217 2.8217 3.3766 3.3766 3.8129 3.8129 3.9102 3.9102 4.0669 4.0669 4.2393 4.2393 4.3988 4.3988 4.6028 4.6028 4.9056 4.9056 5.0225 5.0225 5.2339 5.2339 5.5711 5.5711 5.8246 5.8246 6.3982 6.3982 6.5325 6.5325 6.6158 6.6158 6.8110 6.8110 7.0143 7.0143 7.0828 7.0828 7.1284 7.1284 8.0604 8.0604 8.3135 8.3135 8.4044 8.4044 8.7316 8.7316 k = 0.1909-0.1551-0.3699 ( 22152 PWs) bands (ev): -64.3289 -64.3289 -64.3273 -64.3273 -36.3960 -36.3960 -36.3954 -36.3954 -35.4491 -35.4491 -35.4489 -35.4489 -35.3814 -35.3814 -35.3797 -35.3797 -5.7845 -5.7845 -4.7229 -4.7229 -4.4710 -4.4710 -4.2694 -4.2694 -4.0909 -4.0909 -4.0490 -4.0490 -1.1213 -1.1213 0.4176 0.4176 1.8371 1.8371 1.9558 1.9558 2.1808 2.1808 2.8631 2.8631 3.4513 3.4513 3.8153 3.8153 3.9063 3.9063 4.0563 4.0563 4.2304 4.2304 4.3459 4.3459 4.5640 4.5640 4.9098 4.9098 5.0010 5.0010 5.2471 5.2471 5.5675 5.5675 5.8019 5.8019 6.3683 6.3683 6.5017 6.5017 6.6093 6.6093 6.8024 6.8024 7.0186 7.0186 7.0846 7.0846 7.1276 7.1276 8.0611 8.0611 8.3091 8.3091 8.4003 8.4003 8.7335 8.7335 k = 0.2015-0.1638-0.3905 ( 22156 PWs) bands (ev): -64.3288 -64.3288 -64.3276 -64.3276 -36.3960 -36.3960 -36.3954 -36.3954 -35.4491 -35.4491 -35.4489 -35.4489 -35.3814 -35.3814 -35.3797 -35.3797 -5.7506 -5.7506 -4.7066 -4.7066 -4.5079 -4.5079 -4.2954 -4.2954 -4.1064 -4.1064 -4.0630 -4.0630 -1.0892 -1.0892 0.4267 0.4267 1.8443 1.8443 1.9960 1.9960 2.2064 2.2064 2.8891 2.8891 3.5186 3.5186 3.8021 3.8021 3.8876 3.8876 4.0535 4.0535 4.2035 4.2035 4.3408 4.3408 4.5357 4.5357 4.9118 4.9118 4.9844 4.9844 5.2602 5.2602 5.5608 5.5608 5.7844 5.7844 6.3375 6.3375 6.4720 6.4720 6.6036 6.6036 6.7921 6.7921 7.0223 7.0223 7.0865 7.0865 7.1267 7.1267 8.0659 8.0659 8.2999 8.2999 8.4026 8.4026 8.7339 8.7339 k = 0.2121-0.1724-0.4110 ( 22174 PWs) bands (ev): -64.3293 -64.3293 -64.3278 -64.3278 -36.3960 -36.3960 -36.3955 -36.3955 -35.4491 -35.4491 -35.4490 -35.4490 -35.3814 -35.3814 -35.3799 -35.3799 -5.7159 -5.7159 -4.6916 -4.6916 -4.5437 -4.5437 -4.3211 -4.3211 -4.1209 -4.1209 -4.0771 -4.0771 -1.0576 -1.0576 0.4369 0.4369 1.8547 1.8547 2.0382 2.0382 2.2347 2.2347 2.8957 2.8957 3.5723 3.5723 3.7855 3.7855 3.8695 3.8695 4.0192 4.0192 4.1984 4.1984 4.3663 4.3663 4.5155 4.5155 4.9093 4.9093 4.9742 4.9742 5.2721 5.2721 5.5532 5.5532 5.7704 5.7704 6.3052 6.3052 6.4439 6.4439 6.5969 6.5969 6.7796 6.7796 7.0254 7.0254 7.0880 7.0880 7.1258 7.1258 8.0727 8.0727 8.2867 8.2867 8.4111 8.4111 8.7321 8.7321 k = 0.2227-0.1810-0.4316 ( 22172 PWs) bands (ev): -64.3291 -64.3291 -64.3279 -64.3279 -36.3960 -36.3960 -36.3955 -36.3955 -35.4491 -35.4491 -35.4490 -35.4490 -35.3813 -35.3813 -35.3799 -35.3799 -5.6806 -5.6806 -4.6784 -4.6784 -4.5778 -4.5778 -4.3461 -4.3461 -4.1340 -4.1340 -4.0914 -4.0914 -1.0267 -1.0267 0.4480 0.4480 1.8684 1.8684 2.0821 2.0821 2.2655 2.2655 2.8811 2.8811 3.6026 3.6026 3.7716 3.7716 3.8545 3.8545 3.9747 3.9747 4.2186 4.2186 4.3998 4.3998 4.5038 4.5038 4.9020 4.9020 4.9707 4.9707 5.2822 5.2822 5.5472 5.5472 5.7586 5.7586 6.2716 6.2716 6.4192 6.4192 6.5908 6.5908 6.7657 6.7657 7.0285 7.0285 7.0904 7.0904 7.1262 7.1262 8.0815 8.0815 8.2717 8.2717 8.4250 8.4250 8.7295 8.7295 k = 0.2333-0.1896-0.4521 ( 22154 PWs) bands (ev): -64.3288 -64.3288 -64.3276 -64.3276 -36.3959 -36.3959 -36.3955 -36.3955 -35.4490 -35.4490 -35.4489 -35.4489 -35.3812 -35.3812 -35.3799 -35.3799 -5.6451 -5.6451 -4.6676 -4.6676 -4.6099 -4.6099 -4.3703 -4.3703 -4.1454 -4.1454 -4.1056 -4.1056 -0.9969 -0.9969 0.4598 0.4598 1.8854 1.8854 2.1274 2.1274 2.2988 2.2988 2.8470 2.8470 3.6000 3.6000 3.7516 3.7516 3.8386 3.8386 3.9668 3.9668 4.2454 4.2454 4.4320 4.4320 4.5022 4.5022 4.8925 4.8925 4.9707 4.9707 5.2900 5.2900 5.5445 5.5445 5.7478 5.7478 6.2366 6.2366 6.3993 6.3993 6.5854 6.5854 6.7507 6.7507 7.0315 7.0315 7.0926 7.0926 7.1273 7.1273 8.0914 8.0914 8.2577 8.2577 8.4430 8.4430 8.7260 8.7260 k = 0.2439-0.1982-0.4727 ( 22154 PWs) bands (ev): -64.3286 -64.3286 -64.3278 -64.3278 -36.3959 -36.3959 -36.3955 -36.3955 -35.4490 -35.4490 -35.4489 -35.4489 -35.3811 -35.3811 -35.3800 -35.3800 -5.6098 -5.6098 -4.6602 -4.6602 -4.6394 -4.6394 -4.3933 -4.3933 -4.1549 -4.1549 -4.1193 -4.1193 -0.9683 -0.9683 0.4720 0.4720 1.9056 1.9056 2.1735 2.1735 2.3344 2.3344 2.7979 2.7979 3.5649 3.5649 3.7098 3.7098 3.8418 3.8418 3.9947 3.9947 4.2728 4.2728 4.4560 4.4560 4.5131 4.5131 4.8829 4.8829 4.9705 4.9705 5.2958 5.2958 5.5446 5.5446 5.7383 5.7383 6.2000 6.2000 6.3837 6.3837 6.5799 6.5799 6.7332 6.7332 7.0338 7.0338 7.0938 7.0938 7.1283 7.1283 8.1001 8.1001 8.2453 8.2453 8.4622 8.4622 8.7220 8.7220 k = 0.2545-0.2069-0.4932 ( 22156 PWs) bands (ev): -64.3288 -64.3288 -64.3277 -64.3277 -36.3959 -36.3959 -36.3955 -36.3955 -35.4490 -35.4490 -35.4490 -35.4490 -35.3811 -35.3811 -35.3801 -35.3801 -5.5751 -5.5751 -4.6678 -4.6678 -4.6544 -4.6544 -4.4150 -4.4150 -4.1625 -4.1625 -4.1321 -4.1321 -0.9414 -0.9414 0.4844 0.4844 1.9289 1.9289 2.2199 2.2199 2.3717 2.3717 2.7395 2.7395 3.5043 3.5043 3.6656 3.6656 3.8556 3.8556 4.0383 4.0383 4.3008 4.3008 4.4720 4.4720 4.5342 4.5342 4.8748 4.8748 4.9676 4.9676 5.3004 5.3004 5.5459 5.5459 5.7313 5.7313 6.1622 6.1622 6.3731 6.3731 6.5740 6.5740 6.7142 6.7142 7.0359 7.0359 7.0948 7.0948 7.1297 7.1297 8.1059 8.1059 8.2379 8.2379 8.4825 8.4825 8.7179 8.7179 k = 0.2651-0.2155-0.5138 ( 22162 PWs) bands (ev): -64.3289 -64.3289 -64.3278 -64.3278 -36.3958 -36.3958 -36.3956 -36.3956 -35.4490 -35.4490 -35.4490 -35.4490 -35.3810 -35.3810 -35.3802 -35.3802 -5.5416 -5.5416 -4.6906 -4.6906 -4.6546 -4.6546 -4.4351 -4.4351 -4.1694 -4.1694 -4.1422 -4.1422 -0.9162 -0.9162 0.4968 0.4968 1.9552 1.9552 2.2655 2.2655 2.4092 2.4092 2.6785 2.6785 3.4285 3.4285 3.6285 3.6285 3.8669 3.8669 4.0871 4.0871 4.3297 4.3297 4.4845 4.4845 4.5588 4.5588 4.8686 4.8686 4.9611 4.9611 5.3047 5.3047 5.5456 5.5456 5.7287 5.7287 6.1239 6.1239 6.3671 6.3671 6.5683 6.5683 6.6938 6.6938 7.0381 7.0381 7.0951 7.0951 7.1312 7.1312 8.1071 8.1071 8.2377 8.2377 8.4999 8.4999 8.7151 8.7151 k = 0.2757-0.2241-0.5343 ( 22172 PWs) bands (ev): -64.3291 -64.3291 -64.3280 -64.3280 -36.3958 -36.3958 -36.3957 -36.3957 -35.4490 -35.4490 -35.4490 -35.4490 -35.3810 -35.3810 -35.3803 -35.3803 -5.5099 -5.5099 -4.7099 -4.7099 -4.6584 -4.6584 -4.4538 -4.4538 -4.1780 -4.1780 -4.1472 -4.1472 -0.8932 -0.8932 0.5089 0.5089 1.9844 1.9844 2.3084 2.3084 2.4425 2.4425 2.6245 2.6245 3.3468 3.3468 3.5971 3.5971 3.8713 3.8713 4.1353 4.1353 4.3589 4.3589 4.4959 4.4959 4.5832 4.5832 4.8643 4.8643 4.9512 4.9512 5.3087 5.3087 5.5416 5.5416 5.7317 5.7317 6.0860 6.0860 6.3652 6.3652 6.5625 6.5625 6.6728 6.6728 7.0395 7.0395 7.0954 7.0954 7.1332 7.1332 8.1026 8.1026 8.2452 8.2452 8.5116 8.5116 8.7151 8.7151 k = 0.2863-0.2327-0.5549 ( 22158 PWs) bands (ev): -64.3287 -64.3287 -64.3279 -64.3279 -36.3958 -36.3958 -36.3956 -36.3956 -35.4490 -35.4490 -35.4489 -35.4489 -35.3809 -35.3809 -35.3803 -35.3803 -5.4806 -5.4806 -4.7245 -4.7245 -4.6658 -4.6658 -4.4712 -4.4712 -4.1891 -4.1891 -4.1461 -4.1461 -0.8727 -0.8727 0.5204 0.5204 2.0162 2.0162 2.3424 2.3424 2.4606 2.4606 2.5970 2.5970 3.2647 3.2647 3.5697 3.5697 3.8685 3.8685 4.1793 4.1793 4.3869 4.3869 4.5061 4.5061 4.6070 4.6070 4.8614 4.8614 4.9392 4.9392 5.3120 5.3120 5.5349 5.5349 5.7387 5.7387 6.0498 6.0498 6.3671 6.3671 6.5573 6.5573 6.6533 6.6533 7.0409 7.0409 7.0964 7.0964 7.1359 7.1359 8.0943 8.0943 8.2599 8.2599 8.5159 8.5159 8.7169 8.7169 k = 0.2969-0.2413-0.5754 ( 22178 PWs) bands (ev): -64.3290 -64.3290 -64.3283 -64.3283 -36.3958 -36.3958 -36.3957 -36.3957 -35.4490 -35.4490 -35.4490 -35.4490 -35.3809 -35.3809 -35.3804 -35.3804 -5.4546 -5.4546 -4.7338 -4.7338 -4.6763 -4.6763 -4.4876 -4.4876 -4.2017 -4.2017 -4.1403 -4.1403 -0.8549 -0.8549 0.5309 0.5309 2.0504 2.0504 2.3488 2.3488 2.4679 2.4679 2.6117 2.6117 3.1849 3.1849 3.5455 3.5455 3.8599 3.8599 4.2158 4.2158 4.4110 4.4110 4.5146 4.5146 4.6296 4.6296 4.8587 4.8587 4.9260 4.9260 5.3135 5.3135 5.5275 5.5275 5.7457 5.7457 6.0166 6.0166 6.3708 6.3708 6.5505 6.5505 6.6344 6.6344 7.0410 7.0410 7.0969 7.0969 7.1379 7.1379 8.0823 8.0823 8.2780 8.2780 8.5106 8.5106 8.7144 8.7144 k = 0.3075-0.2500-0.5960 ( 22188 PWs) bands (ev): -64.3292 -64.3292 -64.3285 -64.3285 -36.3958 -36.3958 -36.3958 -36.3958 -35.4491 -35.4491 -35.4490 -35.4490 -35.3808 -35.3808 -35.3806 -35.3806 -5.4324 -5.4324 -4.7373 -4.7373 -4.6891 -4.6891 -4.5032 -4.5032 -4.2147 -4.2147 -4.1311 -4.1311 -0.8400 -0.8400 0.5403 0.5403 2.0866 2.0866 2.3170 2.3170 2.4938 2.4938 2.6503 2.6503 3.1098 3.1098 3.5244 3.5244 3.8473 3.8473 4.2434 4.2434 4.4298 4.4298 4.5209 4.5209 4.6501 4.6501 4.8551 4.8551 4.9139 4.9139 5.3132 5.3132 5.5227 5.5227 5.7480 5.7480 5.9882 5.9882 6.3770 6.3770 6.5437 6.5437 6.6186 6.6186 7.0406 7.0406 7.0978 7.0978 7.1401 7.1401 8.0691 8.0691 8.2987 8.2987 8.4994 8.4994 8.7048 8.7048 k = 0.3181-0.2586-0.6165 ( 22188 PWs) bands (ev): -64.3292 -64.3292 -64.3285 -64.3285 -36.3958 -36.3958 -36.3958 -36.3958 -35.4491 -35.4491 -35.4490 -35.4490 -35.3808 -35.3808 -35.3806 -35.3806 -5.4146 -5.4146 -4.7353 -4.7353 -4.7028 -4.7028 -4.5183 -4.5183 -4.2277 -4.2277 -4.1195 -4.1195 -0.8284 -0.8284 0.5483 0.5483 2.1240 2.1240 2.2701 2.2701 2.5318 2.5318 2.6961 2.6961 3.0418 3.0418 3.5063 3.5063 3.8323 3.8323 4.2613 4.2613 4.4420 4.4420 4.5247 4.5247 4.6664 4.6664 4.8498 4.8498 4.9044 4.9044 5.3117 5.3117 5.5220 5.5220 5.7423 5.7423 5.9656 5.9656 6.3842 6.3842 6.5367 6.5367 6.6080 6.6080 7.0400 7.0400 7.0992 7.0992 7.1427 7.1427 8.0548 8.0548 8.3195 8.3195 8.4852 8.4852 8.6935 8.6935 k = 0.3287-0.2672-0.6371 ( 22192 PWs) bands (ev): -64.3291 -64.3291 -64.3287 -64.3287 -36.3958 -36.3958 -36.3958 -36.3958 -35.4491 -35.4491 -35.4490 -35.4490 -35.3807 -35.3807 -35.3807 -35.3807 -5.4014 -5.4014 -4.7323 -4.7323 -4.7119 -4.7119 -4.5330 -4.5330 -4.2404 -4.2404 -4.1064 -4.1064 -0.8201 -0.8201 0.5546 0.5546 2.1586 2.1586 2.2262 2.2262 2.5725 2.5725 2.7403 2.7403 2.9855 2.9855 3.4913 3.4913 3.8164 3.8164 4.2702 4.2702 4.4474 4.4474 4.5254 4.5254 4.6764 4.6764 4.8429 4.8429 4.8973 4.8973 5.3100 5.3100 5.5240 5.5240 5.7286 5.7286 5.9473 5.9473 6.3921 6.3921 6.5311 6.5311 6.6025 6.6025 7.0388 7.0388 7.1004 7.1004 7.1449 7.1449 8.0395 8.0395 8.3377 8.3377 8.4722 8.4722 8.6856 8.6856 k = 0.3393-0.2758-0.6576 ( 22182 PWs) bands (ev): -64.3289 -64.3289 -64.3285 -64.3285 -36.3958 -36.3958 -36.3957 -36.3957 -35.4491 -35.4491 -35.4490 -35.4490 -35.3807 -35.3807 -35.3806 -35.3806 -5.3927 -5.3927 -4.7421 -4.7421 -4.7026 -4.7026 -4.5472 -4.5472 -4.2527 -4.2527 -4.0923 -4.0923 -0.8151 -0.8151 0.5591 0.5591 2.1582 2.1582 2.2220 2.2220 2.6118 2.6118 2.7718 2.7718 2.9519 2.9519 3.4794 3.4794 3.8007 3.8007 4.2709 4.2709 4.4461 4.4461 4.5227 4.5227 4.6788 4.6788 4.8351 4.8351 4.8920 4.8920 5.3093 5.3093 5.5250 5.5250 5.7116 5.7116 5.9303 5.9303 6.3998 6.3998 6.5276 6.5276 6.6029 6.6029 7.0382 7.0382 7.1023 7.1023 7.1483 7.1483 8.0238 8.0238 8.3493 8.3493 8.4646 8.4646 8.6840 8.6840 k = 0.3499-0.2844-0.6782 ( 22184 PWs) bands (ev): -64.3291 -64.3291 -64.3284 -64.3284 -36.3959 -36.3959 -36.3957 -36.3957 -35.4492 -35.4492 -35.4490 -35.4490 -35.3808 -35.3808 -35.3805 -35.3805 -5.3883 -5.3883 -4.7575 -4.7575 -4.6821 -4.6821 -4.5609 -4.5609 -4.2646 -4.2646 -4.0781 -4.0781 -0.8136 -0.8136 0.5617 0.5617 2.1233 2.1233 2.2581 2.2581 2.6449 2.6449 2.7781 2.7781 2.9563 2.9563 3.4704 3.4704 3.7863 3.7863 4.2648 4.2648 4.4380 4.4380 4.5168 4.5168 4.6729 4.6729 4.8270 4.8270 4.8881 4.8881 5.3097 5.3097 5.5184 5.5184 5.6982 5.6982 5.9113 5.9113 6.4061 6.4061 6.5278 6.5278 6.6083 6.6083 7.0370 7.0370 7.1039 7.1039 7.1517 7.1517 8.0076 8.0076 8.3515 8.3515 8.4632 8.4632 8.6887 8.6887 k = 0.3605-0.2930-0.6987 ( 22180 PWs) bands (ev): -64.3290 -64.3290 -64.3284 -64.3284 -36.3959 -36.3959 -36.3957 -36.3957 -35.4491 -35.4491 -35.4490 -35.4490 -35.3809 -35.3809 -35.3805 -35.3805 -5.3874 -5.3874 -4.7735 -4.7735 -4.6560 -4.6560 -4.5737 -4.5737 -4.2758 -4.2758 -4.0641 -4.0641 -0.8153 -0.8153 0.5624 0.5624 2.0895 2.0895 2.2990 2.2990 2.6610 2.6610 2.7758 2.7758 2.9920 2.9920 3.4644 3.4644 3.7741 3.7741 4.2531 4.2531 4.4235 4.4235 4.5084 4.5084 4.6592 4.6592 4.8190 4.8190 4.8860 4.8860 5.3104 5.3104 5.4990 5.4990 5.6935 5.6935 5.8894 5.8894 6.4110 6.4110 6.5328 6.5328 6.6182 6.6182 7.0362 7.0362 7.1053 7.1053 7.1559 7.1559 7.9906 7.9906 8.3467 8.3467 8.4668 8.4668 8.6978 8.6978 k = 0.6395-0.0551-0.5405 ( 22180 PWs) bands (ev): -64.3290 -64.3290 -64.3284 -64.3284 -36.3959 -36.3959 -36.3957 -36.3957 -35.4491 -35.4491 -35.4490 -35.4490 -35.3809 -35.3809 -35.3805 -35.3805 -5.3874 -5.3874 -4.7735 -4.7735 -4.6560 -4.6560 -4.5737 -4.5737 -4.2758 -4.2758 -4.0641 -4.0641 -0.8153 -0.8153 0.5624 0.5624 2.0895 2.0895 2.2990 2.2990 2.6610 2.6610 2.7758 2.7758 2.9920 2.9920 3.4644 3.4644 3.7741 3.7741 4.2531 4.2531 4.4235 4.4235 4.5084 4.5084 4.6592 4.6592 4.8190 4.8190 4.8860 4.8860 5.3104 5.3104 5.4990 5.4990 5.6935 5.6935 5.8894 5.8894 6.4110 6.4110 6.5328 6.5328 6.6182 6.6182 7.0362 7.0362 7.1053 7.1053 7.1559 7.1559 7.9906 7.9906 8.3467 8.3467 8.4668 8.4668 8.6978 8.6978 k = 0.6287-0.0326-0.5405 ( 22184 PWs) bands (ev): -64.3290 -64.3290 -64.3285 -64.3285 -36.3959 -36.3959 -36.3956 -36.3956 -35.4492 -35.4492 -35.4489 -35.4489 -35.3809 -35.3809 -35.3804 -35.3804 -5.3894 -5.3894 -4.7895 -4.7895 -4.6273 -4.6273 -4.5839 -4.5839 -4.2864 -4.2864 -4.0509 -4.0509 -0.8200 -0.8200 0.5612 0.5612 2.0609 2.0609 2.3397 2.3397 2.6515 2.6515 2.7921 2.7921 3.0408 3.0408 3.4612 3.4612 3.7651 3.7651 4.2366 4.2366 4.4031 4.4031 4.4979 4.4979 4.6384 4.6384 4.8116 4.8116 4.8856 4.8856 5.3094 5.3094 5.4679 5.4679 5.6947 5.6947 5.8659 5.8659 6.4134 6.4134 6.5430 6.5430 6.6325 6.6325 7.0342 7.0342 7.1060 7.1060 7.1599 7.1599 7.9733 7.9733 8.3372 8.3372 8.4725 8.4725 8.7057 8.7057 k = 0.6180-0.0100-0.5405 ( 22174 PWs) bands (ev): -64.3287 -64.3287 -64.3285 -64.3285 -36.3959 -36.3959 -36.3956 -36.3956 -35.4491 -35.4491 -35.4489 -35.4489 -35.3809 -35.3809 -35.3804 -35.3804 -5.3936 -5.3936 -4.8049 -4.8049 -4.6111 -4.6111 -4.5777 -4.5777 -4.2963 -4.2963 -4.0390 -4.0390 -0.8275 -0.8275 0.5583 0.5583 2.0385 2.0385 2.3764 2.3764 2.6307 2.6307 2.8227 2.8227 3.0926 3.0926 3.4604 3.4604 3.7605 3.7605 4.2166 4.2166 4.3781 4.3781 4.4857 4.4857 4.6122 4.6122 4.8055 4.8055 4.8870 4.8870 5.3037 5.3037 5.4316 5.4316 5.6929 5.6929 5.8456 5.8456 6.4141 6.4141 6.5577 6.5577 6.6503 6.6503 7.0334 7.0334 7.1084 7.1084 7.1647 7.1647 7.9557 7.9557 8.3252 8.3252 8.4795 8.4795 8.7076 8.7076 k = 0.6073 0.0125-0.5405 ( 22190 PWs) bands (ev): -64.3290 -64.3290 -64.3288 -64.3288 -36.3960 -36.3960 -36.3956 -36.3956 -35.4492 -35.4492 -35.4489 -35.4489 -35.3810 -35.3810 -35.3804 -35.3804 -5.3993 -5.3993 -4.8194 -4.8194 -4.6172 -4.6172 -4.5461 -4.5461 -4.3052 -4.3052 -4.0289 -4.0289 -0.8373 -0.8373 0.5537 0.5537 2.0222 2.0222 2.4042 2.4042 2.6156 2.6156 2.8575 2.8575 3.1430 3.1430 3.4618 3.4618 3.7614 3.7614 4.1940 4.1940 4.3497 4.3497 4.4719 4.4719 4.5823 4.5823 4.8005 4.8005 4.8896 4.8896 5.2880 5.2880 5.3980 5.3980 5.6798 5.6798 5.8336 5.8336 6.4131 6.4131 6.5751 6.5751 6.6698 6.6698 7.0306 7.0306 7.1095 7.1095 7.1688 7.1688 7.9378 7.9378 8.3114 8.3114 8.4876 8.4876 8.7031 8.7031 k = 0.5965 0.0351-0.5405 ( 22176 PWs) bands (ev): -64.3287 -64.3287 -64.3286 -64.3286 -36.3959 -36.3959 -36.3956 -36.3956 -35.4491 -35.4491 -35.4489 -35.4489 -35.3810 -35.3810 -35.3803 -35.3803 -5.4058 -5.4058 -4.8328 -4.8328 -4.6269 -4.6269 -4.5091 -4.5091 -4.3130 -4.3130 -4.0209 -4.0209 -0.8488 -0.8488 0.5479 0.5479 2.0117 2.0117 2.4171 2.4171 2.6160 2.6160 2.8924 2.8924 3.1896 3.1896 3.4650 3.4650 3.7688 3.7688 4.1704 4.1704 4.3194 4.3194 4.4570 4.4570 4.5505 4.5505 4.7964 4.7964 4.8942 4.8942 5.2584 5.2584 5.3735 5.3735 5.6541 5.6541 5.8311 5.8311 6.4120 6.4120 6.5951 6.5951 6.6919 6.6919 7.0279 7.0279 7.1123 7.1123 7.1727 7.1727 7.9211 7.9211 8.2971 8.2971 8.4990 8.4990 8.6972 8.6972 k = 0.5858 0.0576-0.5405 ( 22176 PWs) bands (ev): -64.3288 -64.3288 -64.3285 -64.3285 -36.3959 -36.3959 -36.3956 -36.3956 -35.4491 -35.4491 -35.4489 -35.4489 -35.3810 -35.3810 -35.3803 -35.3803 -5.4127 -5.4127 -4.8451 -4.8451 -4.6363 -4.6363 -4.4714 -4.4714 -4.3194 -4.3194 -4.0153 -4.0153 -0.8613 -0.8613 0.5411 0.5411 2.0063 2.0063 2.4138 2.4138 2.6342 2.6342 2.9257 2.9257 3.2300 3.2300 3.4698 3.4698 3.7831 3.7831 4.1468 4.1468 4.2880 4.2880 4.4412 4.4412 4.5183 4.5183 4.7921 4.7921 4.9003 4.9003 5.2179 5.2179 5.3562 5.3562 5.6209 5.6209 5.8336 5.8336 6.4096 6.4096 6.6154 6.6154 6.7142 6.7142 7.0250 7.0250 7.1154 7.1154 7.1762 7.1762 7.9041 7.9041 8.2824 8.2824 8.5119 8.5119 8.6917 8.6917 k = 0.5751 0.0801-0.5405 ( 22178 PWs) bands (ev): -64.3289 -64.3289 -64.3285 -64.3285 -36.3959 -36.3959 -36.3956 -36.3956 -35.4491 -35.4491 -35.4489 -35.4489 -35.3810 -35.3810 -35.3803 -35.3803 -5.4196 -5.4196 -4.8561 -4.8561 -4.6450 -4.6450 -4.4350 -4.4350 -4.3237 -4.3237 -4.0122 -4.0122 -0.8744 -0.8744 0.5338 0.5338 2.0054 2.0054 2.4001 2.4001 2.6643 2.6643 2.9564 2.9564 3.2627 3.2627 3.4766 3.4766 3.8038 3.8038 4.1246 4.1246 4.2568 4.2568 4.4248 4.4248 4.4873 4.4873 4.7863 4.7863 4.9085 4.9085 5.1734 5.1734 5.3399 5.3399 5.5862 5.5862 5.8372 5.8372 6.4069 6.4069 6.6353 6.6353 6.7365 6.7365 7.0218 7.0218 7.1191 7.1191 7.1783 7.1783 7.8881 7.8881 8.2683 8.2683 8.5259 8.5259 8.6888 8.6888 k = 0.5644 0.1027-0.5405 ( 22180 PWs) bands (ev): -64.3289 -64.3289 -64.3286 -64.3286 -36.3960 -36.3960 -36.3956 -36.3956 -35.4492 -35.4492 -35.4489 -35.4489 -35.3811 -35.3811 -35.3802 -35.3802 -5.4261 -5.4261 -4.8658 -4.8658 -4.6528 -4.6528 -4.4027 -4.4027 -4.3242 -4.3242 -4.0117 -4.0117 -0.8872 -0.8872 0.5264 0.5264 2.0082 2.0082 2.3821 2.3821 2.6996 2.6996 2.9838 2.9838 3.2867 3.2867 3.4855 3.4855 3.8294 3.8294 4.1052 4.1052 4.2270 4.2270 4.4079 4.4079 4.4588 4.4588 4.7775 4.7775 4.9189 4.9189 5.1306 5.1306 5.3203 5.3203 5.5546 5.5546 5.8401 5.8401 6.4048 6.4048 6.6534 6.6534 6.7581 6.7581 7.0180 7.0180 7.1230 7.1230 7.1797 7.1797 7.8731 7.8731 8.2552 8.2552 8.5399 8.5399 8.6892 8.6892 k = 0.5536 0.1252-0.5405 ( 22174 PWs) bands (ev): -64.3289 -64.3289 -64.3283 -64.3283 -36.3959 -36.3959 -36.3956 -36.3956 -35.4491 -35.4491 -35.4489 -35.4489 -35.3811 -35.3811 -35.3802 -35.3802 -5.4320 -5.4320 -4.8741 -4.8741 -4.6594 -4.6594 -4.3794 -4.3794 -4.3168 -4.3168 -4.0137 -4.0137 -0.8993 -0.8993 0.5192 0.5192 2.0135 2.0135 2.3634 2.3634 2.7355 2.7355 3.0073 3.0073 3.3024 3.3024 3.4963 3.4963 3.8574 3.8574 4.0896 4.0896 4.2007 4.2007 4.3909 4.3909 4.4338 4.4338 4.7646 4.7646 4.9315 4.9315 5.0939 5.0939 5.2954 5.2954 5.5290 5.5290 5.8420 5.8420 6.4030 6.4030 6.6697 6.6697 6.7778 6.7778 7.0146 7.0146 7.1274 7.1274 7.1804 7.1804 7.8594 7.8594 8.2439 8.2439 8.5525 8.5525 8.6940 8.6940 k = 0.5429 0.1478-0.5405 ( 22154 PWs) bands (ev): -64.3285 -64.3285 -64.3280 -64.3280 -36.3959 -36.3959 -36.3955 -36.3955 -35.4491 -35.4491 -35.4489 -35.4489 -35.3810 -35.3810 -35.3801 -35.3801 -5.4371 -5.4371 -4.8809 -4.8809 -4.6650 -4.6650 -4.3686 -4.3686 -4.2991 -4.2991 -4.0179 -4.0179 -0.9100 -0.9100 0.5128 0.5128 2.0205 2.0205 2.3459 2.3459 2.7694 2.7694 3.0264 3.0264 3.3112 3.3112 3.5080 3.5080 3.8842 3.8842 4.0773 4.0773 4.1806 4.1806 4.3749 4.3749 4.4127 4.4127 4.7476 4.7476 4.9450 4.9450 5.0667 5.0667 5.2652 5.2652 5.5103 5.5103 5.8430 5.8430 6.4016 6.4016 6.6838 6.6838 6.7962 6.7962 7.0118 7.0118 7.1326 7.1326 7.1804 7.1804 7.8484 7.8484 8.2347 8.2347 8.5624 8.5624 8.7024 8.7024 k = 0.5322 0.1703-0.5405 ( 22154 PWs) bands (ev): -64.3287 -64.3287 -64.3278 -64.3278 -36.3959 -36.3959 -36.3955 -36.3955 -35.4490 -35.4490 -35.4489 -35.4489 -35.3810 -35.3810 -35.3801 -35.3801 -5.4411 -5.4411 -4.8863 -4.8863 -4.6693 -4.6693 -4.3655 -4.3655 -4.2771 -4.2771 -4.0234 -4.0234 -0.9189 -0.9189 0.5073 0.5073 2.0278 2.0278 2.3308 2.3308 2.7990 2.7990 3.0408 3.0408 3.3151 3.3151 3.5191 3.5191 3.9070 3.9070 4.0665 4.0665 4.1697 4.1697 4.3615 4.3615 4.3947 4.3947 4.7279 4.7279 4.9567 4.9567 5.0523 5.0523 5.2317 5.2317 5.4976 5.4976 5.8431 5.8431 6.4003 6.4003 6.6939 6.6939 6.8103 6.8103 7.0098 7.0098 7.1375 7.1375 7.1791 7.1791 7.8384 7.8384 8.2268 8.2268 8.5691 8.5691 8.7127 8.7127 k = 0.5215 0.1928-0.5405 ( 22158 PWs) bands (ev): -64.3288 -64.3288 -64.3279 -64.3279 -36.3959 -36.3959 -36.3955 -36.3955 -35.4491 -35.4491 -35.4489 -35.4489 -35.3810 -35.3810 -35.3801 -35.3801 -5.4441 -5.4441 -4.8901 -4.8901 -4.6724 -4.6724 -4.3652 -4.3652 -4.2574 -4.2574 -4.0292 -4.0292 -0.9255 -0.9255 0.5032 0.5032 2.0343 2.0343 2.3191 2.3191 2.8221 2.8221 3.0504 3.0504 3.3162 3.3162 3.5283 3.5283 3.9238 3.9238 4.0558 4.0558 4.1684 4.1684 4.3530 4.3530 4.3790 4.3790 4.7088 4.7088 4.9633 4.9633 5.0527 5.0527 5.1983 5.1983 5.4897 5.4897 5.8428 5.8428 6.3991 6.3991 6.7019 6.7019 6.8208 6.8208 7.0072 7.0072 7.1417 7.1417 7.1769 7.1769 7.8311 7.8311 8.2215 8.2215 8.5729 8.5729 8.7222 8.7222 k = 0.5107 0.2154-0.5405 ( 22170 PWs) bands (ev): -64.3288 -64.3288 -64.3282 -64.3282 -36.3960 -36.3960 -36.3955 -36.3955 -35.4491 -35.4491 -35.4489 -35.4489 -35.3811 -35.3811 -35.3801 -35.3801 -5.4460 -5.4460 -4.8925 -4.8925 -4.6743 -4.6743 -4.3654 -4.3654 -4.2439 -4.2439 -4.0338 -4.0338 -0.9296 -0.9296 0.5007 0.5007 2.0387 2.0387 2.3116 2.3116 2.8370 2.8370 3.0558 3.0558 3.3163 3.3163 3.5342 3.5342 3.9343 3.9343 4.0470 4.0470 4.1719 4.1719 4.3509 4.3509 4.3656 4.3656 4.6948 4.6948 4.9651 4.9651 5.0630 5.0630 5.1701 5.1701 5.4853 5.4853 5.8422 5.8422 6.3982 6.3982 6.7066 6.7066 6.8273 6.8273 7.0050 7.0050 7.1440 7.1440 7.1753 7.1753 7.8265 7.8265 8.2182 8.2182 8.5746 8.5746 8.7286 8.7286 k = 0.5000 0.2379-0.5405 ( 22180 PWs) bands (ev): -64.3290 -64.3290 -64.3284 -64.3284 -36.3960 -36.3960 -36.3956 -36.3956 -35.4491 -35.4491 -35.4489 -35.4489 -35.3811 -35.3811 -35.3802 -35.3802 -5.4466 -5.4466 -4.8932 -4.8932 -4.6750 -4.6750 -4.3655 -4.3655 -4.2391 -4.2391 -4.0355 -4.0355 -0.9310 -0.9310 0.4998 0.4998 2.0403 2.0403 2.3091 2.3091 2.8422 2.8422 3.0575 3.0575 3.3162 3.3162 3.5362 3.5362 3.9379 3.9379 4.0434 4.0434 4.1739 4.1739 4.3555 4.3555 4.3555 4.3555 4.6897 4.6897 4.9651 4.9651 5.0700 5.0700 5.1576 5.1576 5.4839 5.4839 5.8421 5.8421 6.3976 6.3976 6.7076 6.7076 6.8295 6.8295 7.0046 7.0046 7.1454 7.1454 7.1743 7.1743 7.8248 7.8248 8.2166 8.2166 8.5747 8.5747 8.7307 8.7307 k = 0.5000 0.2379-0.5405 ( 22180 PWs) bands (ev): -64.3290 -64.3290 -64.3284 -64.3284 -36.3960 -36.3960 -36.3956 -36.3956 -35.4491 -35.4491 -35.4489 -35.4489 -35.3811 -35.3811 -35.3802 -35.3802 -5.4466 -5.4466 -4.8932 -4.8932 -4.6750 -4.6750 -4.3655 -4.3655 -4.2391 -4.2391 -4.0355 -4.0355 -0.9310 -0.9310 0.4998 0.4998 2.0403 2.0403 2.3091 2.3091 2.8422 2.8422 3.0575 3.0575 3.3162 3.3162 3.5362 3.5362 3.9379 3.9379 4.0434 4.0434 4.1739 4.1739 4.3555 4.3555 4.3555 4.3555 4.6897 4.6897 4.9651 4.9651 5.0700 5.0700 5.1576 5.1576 5.4839 5.4839 5.8421 5.8421 6.3976 6.3976 6.7076 6.7076 6.8295 6.8295 7.0046 7.0046 7.1454 7.1454 7.1743 7.1743 7.8248 7.8248 8.2166 8.2166 8.5747 8.5747 8.7307 8.7307 k = 0.5155 0.2453-0.5229 ( 22172 PWs) bands (ev): -64.3288 -64.3288 -64.3283 -64.3283 -36.3960 -36.3960 -36.3955 -36.3955 -35.4492 -35.4492 -35.4489 -35.4489 -35.3811 -35.3811 -35.3801 -35.3801 -5.4468 -5.4468 -4.8928 -4.8928 -4.6783 -4.6783 -4.3622 -4.3622 -4.2385 -4.2385 -4.0355 -4.0355 -0.9315 -0.9315 0.4992 0.4992 2.0395 2.0395 2.3103 2.3103 2.8388 2.8388 3.0608 3.0608 3.3160 3.3160 3.5346 3.5346 3.9395 3.9395 4.0437 4.0437 4.1740 4.1740 4.3399 4.3399 4.3709 4.3709 4.6918 4.6918 4.9590 4.9590 5.0711 5.0711 5.1578 5.1578 5.4872 5.4872 5.8415 5.8415 6.3981 6.3981 6.7090 6.7090 6.8299 6.8299 7.0046 7.0046 7.1432 7.1432 7.1769 7.1769 7.8256 7.8256 8.2149 8.2149 8.5747 8.5747 8.7283 8.7283 k = 0.5310 0.2527-0.5053 ( 22160 PWs) bands (ev): -64.3286 -64.3286 -64.3281 -64.3281 -36.3960 -36.3960 -36.3955 -36.3955 -35.4491 -35.4491 -35.4489 -35.4489 -35.3811 -35.3811 -35.3801 -35.3801 -5.4476 -5.4476 -4.8917 -4.8917 -4.6877 -4.6877 -4.3528 -4.3528 -4.2367 -4.2367 -4.0355 -4.0355 -0.9331 -0.9331 0.4976 0.4976 2.0372 2.0372 2.3137 2.3137 2.8296 2.8296 3.0699 3.0699 3.3153 3.3153 3.5297 3.5297 3.9441 3.9441 4.0445 4.0445 4.1744 4.1744 4.3244 4.3244 4.3859 4.3859 4.6979 4.6979 4.9419 4.9419 5.0726 5.0726 5.1589 5.1589 5.4964 5.4964 5.8398 5.8398 6.3991 6.3991 6.7108 6.7108 6.8310 6.8310 7.0058 7.0058 7.1400 7.1400 7.1826 7.1826 7.8275 7.8275 8.2084 8.2084 8.5744 8.5744 8.7216 8.7216 k = 0.5465 0.2601-0.4877 ( 22153 PWs) bands (ev): -64.3286 -64.3286 -64.3279 -64.3279 -36.3959 -36.3959 -36.3955 -36.3955 -35.4491 -35.4491 -35.4488 -35.4488 -35.3811 -35.3811 -35.3801 -35.3801 -5.4490 -5.4490 -4.8900 -4.8900 -4.7016 -4.7016 -4.3388 -4.3388 -4.2336 -4.2336 -4.0356 -4.0356 -0.9357 -0.9357 0.4948 0.4948 2.0336 2.0336 2.3185 2.3185 2.8161 2.8161 3.0831 3.0831 3.3143 3.3143 3.5220 3.5220 3.9505 3.9505 4.0460 4.0460 4.1755 4.1755 4.3095 4.3095 4.3995 4.3995 4.7076 4.7076 4.9177 4.9177 5.0716 5.0716 5.1625 5.1625 5.5101 5.5101 5.8370 5.8370 6.4006 6.4006 6.7132 6.7132 6.8325 6.8325 7.0077 7.0077 7.1363 7.1363 7.1905 7.1905 7.8303 7.8303 8.1969 8.1969 8.5723 8.5723 8.7127 8.7127 k = 0.5620 0.2674-0.4702 ( 22150 PWs) bands (ev): -64.3286 -64.3286 -64.3278 -64.3278 -36.3959 -36.3959 -36.3955 -36.3955 -35.4490 -35.4490 -35.4488 -35.4488 -35.3811 -35.3811 -35.3801 -35.3801 -5.4511 -5.4511 -4.8880 -4.8880 -4.7181 -4.7181 -4.3219 -4.3219 -4.2289 -4.2289 -4.0356 -4.0356 -0.9394 -0.9394 0.4910 0.4910 2.0294 2.0294 2.3239 2.3239 2.8002 2.8002 3.0987 3.0987 3.3130 3.3130 3.5117 3.5117 3.9571 3.9571 4.0486 4.0486 4.1782 4.1782 4.2953 4.2953 4.4114 4.4114 4.7196 4.7196 4.8904 4.8904 5.0671 5.0671 5.1694 5.1694 5.5266 5.5266 5.8331 5.8331 6.4024 6.4024 6.7167 6.7167 6.8343 6.8343 7.0095 7.0095 7.1325 7.1325 7.1988 7.1988 7.8339 7.8339 8.1809 8.1809 8.5679 8.5679 8.7047 8.7047 k = 0.5775 0.2748-0.4526 ( 22153 PWs) bands (ev): -64.3286 -64.3286 -64.3278 -64.3278 -36.3959 -36.3959 -36.3955 -36.3955 -35.4491 -35.4491 -35.4489 -35.4489 -35.3811 -35.3811 -35.3800 -35.3800 -5.4541 -5.4541 -4.8862 -4.8862 -4.7352 -4.7352 -4.3038 -4.3038 -4.2223 -4.2223 -4.0357 -4.0357 -0.9440 -0.9440 0.4863 0.4863 2.0250 2.0250 2.3286 2.3286 2.7835 2.7835 3.1150 3.1150 3.3116 3.3116 3.4998 3.4998 3.9619 3.9619 4.0526 4.0526 4.1831 4.1831 4.2828 4.2828 4.4212 4.4212 4.7311 4.7311 4.8644 4.8644 5.0602 5.0602 5.1794 5.1794 5.5442 5.5442 5.8282 5.8282 6.4047 6.4047 6.7203 6.7203 6.8370 6.8370 7.0114 7.0114 7.1285 7.1285 7.2077 7.2077 7.8383 7.8383 8.1605 8.1605 8.5603 8.5603 8.6993 8.6993 k = 0.5930 0.2822-0.4350 ( 22151 PWs) bands (ev): -64.3286 -64.3286 -64.3277 -64.3277 -36.3959 -36.3959 -36.3955 -36.3955 -35.4490 -35.4490 -35.4489 -35.4489 -35.3811 -35.3811 -35.3800 -35.3800 -5.4581 -5.4581 -4.8852 -4.8852 -4.7509 -4.7509 -4.2861 -4.2861 -4.2134 -4.2134 -4.0357 -4.0357 -0.9497 -0.9497 0.4807 0.4807 2.0207 2.0207 2.3315 2.3315 2.7669 2.7669 3.1311 3.1311 3.3098 3.3098 3.4872 3.4872 3.9635 3.9635 4.0576 4.0576 4.1903 4.1903 4.2734 4.2734 4.4287 4.4287 4.7369 4.7369 4.8464 4.8464 5.0524 5.0524 5.1917 5.1917 5.5615 5.5615 5.8226 5.8226 6.4078 6.4078 6.7247 6.7247 6.8401 6.8401 7.0139 7.0139 7.1251 7.1251 7.2170 7.2170 7.8436 7.8436 8.1373 8.1373 8.5495 8.5495 8.6969 8.6969 k = 0.6085 0.2895-0.4174 ( 22158 PWs) bands (ev): -64.3289 -64.3289 -64.3278 -64.3278 -36.3959 -36.3959 -36.3955 -36.3955 -35.4491 -35.4491 -35.4489 -35.4489 -35.3811 -35.3811 -35.3800 -35.3800 -5.4634 -5.4634 -4.8863 -4.8863 -4.7633 -4.7633 -4.2701 -4.2701 -4.2016 -4.2016 -4.0358 -4.0358 -0.9563 -0.9563 0.4743 0.4743 2.0168 2.0168 2.3317 2.3317 2.7511 2.7511 3.1460 3.1460 3.3073 3.3073 3.4753 3.4753 3.9611 3.9611 4.0621 4.0621 4.1985 4.1985 4.2695 4.2695 4.4342 4.4342 4.7303 4.7303 4.8436 4.8436 5.0457 5.0457 5.2058 5.2058 5.5771 5.5771 5.8166 5.8166 6.4112 6.4112 6.7284 6.7284 6.8434 6.8434 7.0156 7.0156 7.1222 7.1222 7.2266 7.2266 7.8488 7.8488 8.1116 8.1116 8.5370 8.5370 8.6965 8.6965 k = 0.6240 0.2969-0.3998 ( 22159 PWs) bands (ev): -64.3289 -64.3289 -64.3277 -64.3277 -36.3959 -36.3959 -36.3955 -36.3955 -35.4491 -35.4491 -35.4489 -35.4489 -35.3812 -35.3812 -35.3800 -35.3800 -5.4703 -5.4703 -4.8900 -4.8900 -4.7706 -4.7706 -4.2563 -4.2563 -4.1870 -4.1870 -4.0359 -4.0359 -0.9638 -0.9638 0.4674 0.4674 2.0135 2.0135 2.3287 2.3287 2.7362 2.7362 3.1581 3.1581 3.3037 3.3037 3.4657 3.4657 3.9546 3.9546 4.0652 4.0652 4.2047 4.2047 4.2750 4.2750 4.4378 4.4378 4.7131 4.7131 4.8544 4.8544 5.0417 5.0417 5.2215 5.2215 5.5902 5.5902 5.8105 5.8105 6.4155 6.4155 6.7319 6.7319 6.8474 6.8474 7.0178 7.0178 7.1205 7.1205 7.2365 7.2365 7.8550 7.8550 8.0858 8.0858 8.5229 8.5229 8.6961 8.6961 k = 0.6395 0.3043-0.3823 ( 22163 PWs) bands (ev): -64.3290 -64.3290 -64.3278 -64.3278 -36.3960 -36.3960 -36.3955 -36.3955 -35.4491 -35.4491 -35.4489 -35.4489 -35.3812 -35.3812 -35.3800 -35.3800 -5.4789 -5.4789 -4.8967 -4.8967 -4.7721 -4.7721 -4.2445 -4.2445 -4.1703 -4.1703 -4.0360 -4.0360 -0.9723 -0.9723 0.4600 0.4600 2.0107 2.0107 2.3221 2.3221 2.7222 2.7222 3.1651 3.1651 3.3001 3.3001 3.4599 3.4599 3.9443 3.9443 4.0662 4.0662 4.2064 4.2064 4.2914 4.2914 4.4404 4.4404 4.6926 4.6926 4.8710 4.8710 5.0423 5.0423 5.2384 5.2384 5.6000 5.6000 5.8048 5.8048 6.4208 6.4208 6.7349 6.7349 6.8521 6.8521 7.0190 7.0190 7.1187 7.1187 7.2460 7.2460 7.8614 7.8614 8.0613 8.0613 8.5088 8.5088 8.6940 8.6940 k = 0.6395 0.3043-0.3823 ( 22163 PWs) bands (ev): -64.3290 -64.3290 -64.3278 -64.3278 -36.3960 -36.3960 -36.3955 -36.3955 -35.4491 -35.4491 -35.4489 -35.4489 -35.3812 -35.3812 -35.3800 -35.3800 -5.4789 -5.4789 -4.8967 -4.8967 -4.7721 -4.7721 -4.2445 -4.2445 -4.1703 -4.1703 -4.0360 -4.0360 -0.9723 -0.9723 0.4600 0.4600 2.0107 2.0107 2.3221 2.3221 2.7222 2.7222 3.1651 3.1651 3.3001 3.3001 3.4599 3.4599 3.9443 3.9443 4.0662 4.0662 4.2064 4.2064 4.2914 4.2914 4.4404 4.4404 4.6926 4.6926 4.8710 4.8710 5.0423 5.0423 5.2384 5.2384 5.6000 5.6000 5.8048 5.8048 6.4208 6.4208 6.7349 6.7349 6.8521 6.8521 7.0190 7.0190 7.1187 7.1187 7.2460 7.2460 7.8614 7.8614 8.0613 8.0613 8.5088 8.5088 8.6940 8.6940 k = 0.6334 0.3014-0.3588 ( 22149 PWs) bands (ev): -64.3287 -64.3287 -64.3276 -64.3276 -36.3960 -36.3960 -36.3954 -36.3954 -35.4490 -35.4490 -35.4489 -35.4489 -35.3813 -35.3813 -35.3798 -35.3798 -5.4963 -5.4963 -4.9234 -4.9234 -4.7446 -4.7446 -4.2335 -4.2335 -4.1516 -4.1516 -4.0308 -4.0308 -0.9835 -0.9835 0.4575 0.4575 2.0050 2.0050 2.2973 2.2973 2.7145 2.7145 3.1774 3.1774 3.3060 3.3060 3.4675 3.4675 3.9088 3.9088 4.0606 4.0606 4.2018 4.2018 4.3054 4.3054 4.4428 4.4428 4.6826 4.6826 4.8579 4.8579 5.0368 5.0368 5.2696 5.2696 5.5780 5.5780 5.8103 5.8103 6.4461 6.4461 6.7406 6.7406 6.8561 6.8561 7.0177 7.0177 7.1159 7.1159 7.2641 7.2641 7.8553 7.8553 8.0469 8.0469 8.4892 8.4892 8.6849 8.6849 k = 0.6273 0.2985-0.3353 ( 22167 PWs) bands (ev): -64.3290 -64.3290 -64.3279 -64.3279 -36.3960 -36.3960 -36.3954 -36.3954 -35.4491 -35.4491 -35.4489 -35.4489 -35.3814 -35.3814 -35.3798 -35.3798 -5.5174 -5.5174 -4.9512 -4.9512 -4.7106 -4.7106 -4.2229 -4.2229 -4.1313 -4.1313 -4.0247 -4.0247 -0.9974 -0.9974 0.4547 0.4547 1.9968 1.9968 2.2708 2.2708 2.7092 2.7092 3.1452 3.1452 3.3401 3.3401 3.4842 3.4842 3.8690 3.8690 4.0476 4.0476 4.2018 4.2018 4.3264 4.3264 4.4416 4.4416 4.6700 4.6700 4.8456 4.8456 5.0423 5.0423 5.2992 5.2992 5.5603 5.5603 5.8125 5.8125 6.4746 6.4746 6.7457 6.7457 6.8595 6.8595 7.0146 7.0146 7.1142 7.1142 7.2805 7.2805 7.8481 7.8481 8.0368 8.0368 8.4674 8.4674 8.6709 8.6709 k = 0.6213 0.2956-0.3118 ( 22167 PWs) bands (ev): -64.3290 -64.3290 -64.3279 -64.3279 -36.3961 -36.3961 -36.3954 -36.3954 -35.4491 -35.4491 -35.4489 -35.4489 -35.3814 -35.3814 -35.3798 -35.3798 -5.5411 -5.5411 -4.9793 -4.9793 -4.6718 -4.6718 -4.2124 -4.2124 -4.1102 -4.1102 -4.0176 -4.0176 -1.0139 -1.0139 0.4518 0.4518 1.9873 1.9873 2.2444 2.2444 2.7049 2.7049 3.0955 3.0955 3.3717 3.3717 3.5093 3.5093 3.8303 3.8303 4.0259 4.0259 4.2069 4.2069 4.3445 4.3445 4.4469 4.4469 4.6560 4.6560 4.8393 4.8393 5.0558 5.0558 5.3193 5.3193 5.5556 5.5556 5.8105 5.8105 6.5072 6.5072 6.7515 6.7515 6.8627 6.8627 7.0112 7.0112 7.1150 7.1150 7.2972 7.2972 7.8405 7.8405 8.0332 8.0332 8.4449 8.4449 8.6538 8.6538 k = 0.6152 0.2928-0.2883 ( 22151 PWs) bands (ev): -64.3287 -64.3287 -64.3276 -64.3276 -36.3961 -36.3961 -36.3953 -36.3953 -35.4491 -35.4491 -35.4488 -35.4488 -35.3814 -35.3814 -35.3797 -35.3797 -5.5664 -5.5664 -5.0072 -5.0072 -4.6296 -4.6296 -4.2016 -4.2016 -4.0891 -4.0891 -4.0097 -4.0097 -1.0329 -1.0329 0.4490 0.4490 1.9774 1.9774 2.2194 2.2194 2.7003 2.7003 3.0393 3.0393 3.3831 3.3831 3.5446 3.5446 3.7973 3.7973 3.9963 3.9963 4.2129 4.2129 4.3506 4.3506 4.4704 4.4704 4.6449 4.6449 4.8403 4.8403 5.0743 5.0743 5.3231 5.3231 5.5705 5.5705 5.8039 5.8039 6.5427 6.5427 6.7581 6.7581 6.8655 6.8655 7.0073 7.0073 7.1177 7.1177 7.3134 7.3134 7.8335 7.8335 8.0371 8.0371 8.4219 8.4219 8.6338 8.6338 k = 0.6091 0.2899-0.2648 ( 22151 PWs) bands (ev): -64.3286 -64.3286 -64.3277 -64.3277 -36.3961 -36.3961 -36.3953 -36.3953 -35.4491 -35.4491 -35.4488 -35.4488 -35.3815 -35.3815 -35.3796 -35.3796 -5.5926 -5.5926 -5.0345 -5.0345 -4.5850 -4.5850 -4.1903 -4.1903 -4.0685 -4.0685 -4.0009 -4.0009 -1.0541 -1.0541 0.4463 0.4463 1.9682 1.9682 2.1965 2.1965 2.6945 2.6945 2.9802 2.9802 3.3700 3.3700 3.5865 3.5865 3.7726 3.7726 3.9616 3.9616 4.2132 4.2132 4.3498 4.3498 4.5076 4.5076 4.6437 4.6437 4.8475 4.8475 5.0952 5.0952 5.3115 5.3115 5.6032 5.6032 5.7934 5.7934 6.5788 6.5788 6.7643 6.7643 6.8676 6.8676 7.0024 7.0024 7.1213 7.1213 7.3270 7.3270 7.8277 7.8277 8.0470 8.0470 8.3974 8.3974 8.6113 8.6113 k = 0.6031 0.2870-0.2413 ( 22177 PWs) bands (ev): -64.3291 -64.3291 -64.3281 -64.3281 -36.3962 -36.3962 -36.3954 -36.3954 -35.4492 -35.4492 -35.4489 -35.4489 -35.3816 -35.3816 -35.3796 -35.3796 -5.6190 -5.6190 -5.0611 -5.0611 -4.5388 -4.5388 -4.1784 -4.1784 -4.0488 -4.0488 -3.9913 -3.9913 -1.0773 -1.0773 0.4440 0.4440 1.9605 1.9605 2.1761 2.1761 2.6869 2.6869 2.9199 2.9199 3.3364 3.3364 3.6244 3.6244 3.7577 3.7577 3.9279 3.9279 4.2030 4.2030 4.3531 4.3531 4.5405 4.5405 4.6641 4.6641 4.8600 4.8600 5.1161 5.1161 5.2923 5.2923 5.6448 5.6448 5.7819 5.7819 6.6142 6.6142 6.7703 6.7703 6.8679 6.8679 6.9959 6.9959 7.1246 7.1246 7.3382 7.3382 7.8241 7.8241 8.0618 8.0618 8.3719 8.3719 8.5867 8.5867 k = 0.5970 0.2841-0.2178 ( 22174 PWs) bands (ev): -64.3292 -64.3292 -64.3279 -64.3279 -36.3962 -36.3962 -36.3953 -36.3953 -35.4492 -35.4492 -35.4489 -35.4489 -35.3817 -35.3817 -35.3795 -35.3795 -5.6453 -5.6453 -5.0867 -5.0867 -4.4915 -4.4915 -4.1660 -4.1660 -4.0305 -4.0305 -3.9810 -3.9810 -1.1021 -1.1021 0.4423 0.4423 1.9552 1.9552 2.1584 2.1584 2.6770 2.6770 2.8599 2.8599 3.2882 3.2882 3.6371 3.6371 3.7616 3.7616 3.9040 3.9040 4.1835 4.1835 4.3632 4.3632 4.5584 4.5584 4.7095 4.7095 4.8791 4.8791 5.1343 5.1343 5.2745 5.2745 5.6810 5.6810 5.7797 5.7797 6.6485 6.6485 6.7778 6.7778 6.8688 6.8688 6.9905 6.9905 7.1292 7.1292 7.3472 7.3472 7.8259 7.8259 8.0808 8.0808 8.3465 8.3465 8.5626 8.5626 k = 0.5909 0.2812-0.1943 ( 22179 PWs) bands (ev): -64.3293 -64.3293 -64.3279 -64.3279 -36.3962 -36.3962 -36.3953 -36.3953 -35.4492 -35.4492 -35.4489 -35.4489 -35.3817 -35.3817 -35.3795 -35.3795 -5.6710 -5.6710 -5.1113 -5.1113 -4.4440 -4.4440 -4.1530 -4.1530 -4.0136 -4.0136 -3.9703 -3.9703 -1.1284 -1.1284 0.4411 0.4411 1.9527 1.9527 2.1434 2.1434 2.6643 2.6643 2.8015 2.8015 3.2306 3.2306 3.6082 3.6082 3.7915 3.7915 3.8953 3.8953 4.1588 4.1588 4.3777 4.3777 4.5679 4.5679 4.7627 4.7627 4.9094 4.9094 5.1443 5.1443 5.2667 5.2667 5.6895 5.6895 5.8063 5.8063 6.6801 6.6801 6.7865 6.7865 6.8685 6.8685 6.9845 6.9845 7.1324 7.1324 7.3530 7.3530 7.8337 7.8337 8.1012 8.1012 8.3212 8.3212 8.5397 8.5397 k = 0.5849 0.2783-0.1708 ( 22181 PWs) bands (ev): -64.3293 -64.3293 -64.3280 -64.3280 -36.3963 -36.3963 -36.3953 -36.3953 -35.4493 -35.4493 -35.4489 -35.4489 -35.3818 -35.3818 -35.3794 -35.3794 -5.6959 -5.6959 -5.1346 -5.1346 -4.3965 -4.3965 -4.1394 -4.1394 -3.9984 -3.9984 -3.9593 -3.9593 -1.1557 -1.1557 0.4408 0.4408 1.9536 1.9536 2.1311 2.1311 2.6472 2.6472 2.7472 2.7472 3.1674 3.1674 3.5518 3.5518 3.8307 3.8307 3.9013 3.9013 4.1337 4.1337 4.3942 4.3942 4.5759 4.5759 4.8048 4.8048 4.9565 4.9565 5.1431 5.1431 5.2762 5.2762 5.6748 5.6748 5.8568 5.8568 6.7075 6.7075 6.7971 6.7971 6.8674 6.8674 6.9782 6.9782 7.1345 7.1345 7.3564 7.3564 7.8483 7.8483 8.1205 8.1205 8.2965 8.2965 8.5210 8.5210 k = 0.5788 0.2754-0.1473 ( 22186 PWs) bands (ev): -64.3295 -64.3295 -64.3280 -64.3280 -36.3963 -36.3963 -36.3953 -36.3953 -35.4493 -35.4493 -35.4489 -35.4489 -35.3819 -35.3819 -35.3794 -35.3794 -5.7196 -5.7196 -5.1567 -5.1567 -4.3496 -4.3496 -4.1253 -4.1253 -3.9845 -3.9845 -3.9485 -3.9485 -1.1836 -1.1836 0.4413 0.4413 1.9582 1.9582 2.1212 2.1212 2.6224 2.6224 2.7015 2.7015 3.1013 3.1013 3.4819 3.4819 3.8627 3.8627 3.9204 3.9204 4.1139 4.1139 4.4114 4.4114 4.5840 4.5840 4.8299 4.8299 5.0137 5.0137 5.1383 5.1383 5.3012 5.3012 5.6535 5.6535 5.9155 5.9155 6.7286 6.7286 6.8103 6.8103 6.8660 6.8660 6.9720 6.9720 7.1350 7.1350 7.3560 7.3560 7.8696 7.8696 8.1348 8.1348 8.2740 8.2740 8.5094 8.5094 k = 0.5728 0.2726-0.1238 ( 22183 PWs) bands (ev): -64.3295 -64.3295 -64.3278 -64.3278 -36.3963 -36.3963 -36.3953 -36.3953 -35.4492 -35.4492 -35.4489 -35.4489 -35.3819 -35.3819 -35.3793 -35.3793 -5.7422 -5.7422 -5.1775 -5.1775 -4.3037 -4.3037 -4.1108 -4.1108 -3.9721 -3.9721 -3.9383 -3.9383 -1.2117 -1.2117 0.4426 0.4426 1.9665 1.9665 2.1136 2.1136 2.5867 2.5867 2.6687 2.6687 3.0343 3.0343 3.4054 3.4054 3.8789 3.8789 3.9475 3.9475 4.1074 4.1074 4.4287 4.4287 4.5926 4.5926 4.8424 4.8424 5.0581 5.0581 5.1479 5.1479 5.3363 5.3363 5.6346 5.6346 5.9771 5.9771 6.7444 6.7444 6.8246 6.8246 6.8648 6.8648 6.9664 6.9664 7.1343 7.1343 7.3529 7.3529 7.8979 7.8979 8.1413 8.1413 8.2544 8.2544 8.5078 8.5078 k = 0.5667 0.2697-0.1003 ( 22177 PWs) bands (ev): -64.3297 -64.3297 -64.3274 -64.3274 -36.3962 -36.3962 -36.3953 -36.3953 -35.4492 -35.4492 -35.4489 -35.4489 -35.3819 -35.3819 -35.3793 -35.3793 -5.7633 -5.7633 -5.1967 -5.1967 -4.2592 -4.2592 -4.0960 -4.0960 -3.9608 -3.9608 -3.9291 -3.9291 -1.2398 -1.2398 0.4449 0.4449 1.9786 1.9786 2.1080 2.1080 2.5436 2.5436 2.6461 2.6461 2.9676 2.9676 3.3257 3.3257 3.8802 3.8802 3.9706 3.9706 4.1229 4.1229 4.4456 4.4456 4.6012 4.6012 4.8454 4.8454 5.0735 5.0735 5.1830 5.1830 5.3730 5.3730 5.6277 5.6277 6.0397 6.0397 6.7544 6.7544 6.8365 6.8365 6.8681 6.8681 6.9609 6.9609 7.1317 7.1317 7.3465 7.3465 7.9300 7.9300 8.1390 8.1390 8.2400 8.2400 8.5174 8.5174 k = 0.5606 0.2668-0.0768 ( 22173 PWs) bands (ev): -64.3297 -64.3297 -64.3273 -64.3273 -36.3962 -36.3962 -36.3953 -36.3953 -35.4491 -35.4491 -35.4490 -35.4490 -35.3820 -35.3820 -35.3793 -35.3793 -5.7829 -5.7829 -5.2145 -5.2145 -4.2164 -4.2164 -4.0810 -4.0810 -3.9507 -3.9507 -3.9212 -3.9212 -1.2672 -1.2672 0.4479 0.4479 1.9940 1.9940 2.1043 2.1043 2.4996 2.4996 2.6284 2.6284 2.9025 2.9025 3.2449 3.2449 3.8686 3.8686 3.9874 3.9874 4.1592 4.1592 4.4621 4.4621 4.6094 4.6094 4.8403 4.8403 5.0779 5.0779 5.2235 5.2235 5.3959 5.3959 5.6475 5.6475 6.1023 6.1023 6.7608 6.7608 6.8389 6.8389 6.8800 6.8800 6.9560 6.9560 7.1267 7.1267 7.3378 7.3378 7.9619 7.9619 8.1279 8.1279 8.2339 8.2339 8.5377 8.5377 k = 0.5546 0.2639-0.0533 ( 22173 PWs) bands (ev): -64.3297 -64.3297 -64.3273 -64.3273 -36.3963 -36.3963 -36.3952 -36.3952 -35.4491 -35.4491 -35.4489 -35.4489 -35.3820 -35.3820 -35.3792 -35.3792 -5.8008 -5.8008 -5.2308 -5.2308 -4.1758 -4.1758 -4.0658 -4.0658 -3.9417 -3.9417 -3.9150 -3.9150 -1.2937 -1.2937 0.4517 0.4517 2.0119 2.0119 2.1030 2.1030 2.4583 2.4583 2.6130 2.6130 2.8397 2.8397 3.1646 3.1646 3.8480 3.8480 4.0023 4.0023 4.2074 4.2074 4.4783 4.4783 4.6168 4.6168 4.8284 4.8284 5.0832 5.0832 5.2580 5.2580 5.3952 5.3952 5.7004 5.7004 6.1649 6.1649 6.7646 6.7646 6.8346 6.8346 6.8961 6.8961 6.9515 6.9515 7.1201 7.1201 7.3254 7.3254 7.9880 7.9880 8.1101 8.1101 8.2418 8.2418 8.5660 8.5660 k = 0.5485 0.2610-0.0298 ( 22181 PWs) bands (ev): -64.3299 -64.3299 -64.3274 -64.3274 -36.3963 -36.3963 -36.3952 -36.3952 -35.4491 -35.4491 -35.4489 -35.4489 -35.3821 -35.3821 -35.3792 -35.3792 -5.8171 -5.8171 -5.2454 -5.2454 -4.1377 -4.1377 -4.0507 -4.0507 -3.9339 -3.9339 -3.9104 -3.9104 -1.3187 -1.3187 0.4561 0.4561 2.0303 2.0303 2.1054 2.1054 2.4213 2.4213 2.5991 2.5991 2.7799 2.7799 3.0859 3.0859 3.8230 3.8230 4.0170 4.0170 4.2609 4.2609 4.4942 4.4942 4.6231 4.6231 4.8113 4.8113 5.0905 5.0905 5.2835 5.2835 5.3802 5.3802 5.7747 5.7747 6.2270 6.2270 6.7660 6.7660 6.8272 6.8272 6.9108 6.9108 6.9487 6.9487 7.1127 7.1127 7.3096 7.3096 8.0019 8.0019 8.0893 8.0893 8.2687 8.2687 8.5994 8.5994 k = 0.5424 0.2581-0.0063 ( 22172 PWs) bands (ev): -64.3296 -64.3296 -64.3274 -64.3274 -36.3963 -36.3963 -36.3952 -36.3952 -35.4491 -35.4491 -35.4489 -35.4489 -35.3821 -35.3821 -35.3791 -35.3791 -5.8316 -5.8316 -5.2584 -5.2584 -4.1023 -4.1023 -4.0357 -4.0357 -3.9275 -3.9275 -3.9076 -3.9076 -1.3420 -1.3420 0.4609 0.4609 2.0450 2.0450 2.1151 2.1151 2.3897 2.3897 2.5862 2.5862 2.7238 2.7238 3.0098 3.0098 3.7969 3.7969 4.0312 4.0312 4.3161 4.3161 4.5099 4.5099 4.6284 4.6284 4.7915 4.7915 5.0984 5.0984 5.2940 5.2940 5.3681 5.3681 5.8572 5.8572 6.2890 6.2890 6.7655 6.7655 6.8193 6.8193 6.9202 6.9202 6.9516 6.9516 7.1055 7.1055 7.2907 7.2907 8.0037 8.0037 8.0668 8.0668 8.3154 8.3154 8.6359 8.6359 k = 0.5364 0.2552 0.0172 ( 22170 PWs) bands (ev): -64.3295 -64.3295 -64.3274 -64.3274 -36.3963 -36.3963 -36.3952 -36.3952 -35.4491 -35.4491 -35.4488 -35.4488 -35.3822 -35.3822 -35.3791 -35.3791 -5.8442 -5.8442 -5.2697 -5.2697 -4.0699 -4.0699 -4.0210 -4.0210 -3.9225 -3.9225 -3.9066 -3.9066 -1.3630 -1.3630 0.4658 0.4658 2.0521 2.0521 2.1356 2.1356 2.3640 2.3640 2.5741 2.5741 2.6717 2.6717 2.9374 2.9374 3.7719 3.7719 4.0445 4.0445 4.3711 4.3711 4.5255 4.5255 4.6327 4.6327 4.7700 4.7700 5.1044 5.1044 5.2826 5.2826 5.3726 5.3726 5.9393 5.9393 6.3506 6.3506 6.7624 6.7624 6.8099 6.8099 6.9216 6.9216 6.9616 6.9616 7.0985 7.0985 7.2687 7.2687 7.9978 7.9978 8.0444 8.0444 8.3742 8.3742 8.6739 8.6739 k = 0.5303 0.2524 0.0407 ( 22162 PWs) bands (ev): -64.3292 -64.3292 -64.3274 -64.3274 -36.3963 -36.3963 -36.3951 -36.3951 -35.4492 -35.4492 -35.4488 -35.4488 -35.3822 -35.3822 -35.3790 -35.3790 -5.8550 -5.8550 -5.2793 -5.2793 -4.0408 -4.0408 -4.0069 -4.0069 -3.9192 -3.9192 -3.9073 -3.9073 -1.3815 -1.3815 0.4706 0.4706 2.0527 2.0527 2.1652 2.1652 2.3444 2.3444 2.5626 2.5626 2.6241 2.6241 2.8702 2.8702 3.7490 3.7490 4.0563 4.0563 4.4241 4.4241 4.5412 4.5412 4.6359 4.6359 4.7483 4.7483 5.1056 5.1056 5.2614 5.2614 5.3865 5.3865 6.0155 6.0155 6.4117 6.4117 6.7575 6.7575 6.8009 6.8009 6.9188 6.9188 6.9752 6.9752 7.0923 7.0923 7.2431 7.2431 7.9881 7.9881 8.0242 8.0242 8.4387 8.4387 8.7136 8.7136 k = 0.5243 0.2495 0.0642 ( 22166 PWs) bands (ev): -64.3294 -64.3294 -64.3273 -64.3273 -36.3963 -36.3963 -36.3951 -36.3951 -35.4491 -35.4491 -35.4489 -35.4489 -35.3822 -35.3822 -35.3790 -35.3790 -5.8639 -5.8639 -5.2873 -5.2873 -4.0153 -4.0153 -3.9934 -3.9934 -3.9177 -3.9177 -3.9096 -3.9096 -1.3971 -1.3971 0.4751 0.4751 2.0499 2.0499 2.2002 2.2002 2.3310 2.3310 2.5496 2.5496 2.5827 2.5827 2.8099 2.8099 3.7294 3.7294 4.0663 4.0663 4.4732 4.4732 4.5574 4.5574 4.6378 4.6378 4.7268 4.7268 5.0996 5.0996 5.2425 5.2425 5.4011 5.4011 6.0821 6.0821 6.4710 6.4710 6.7500 6.7500 6.7904 6.7904 6.9154 6.9154 6.9904 6.9904 7.0869 7.0869 7.2141 7.2141 7.9778 7.9778 8.0067 8.0067 8.5007 8.5007 8.7553 8.7553 k = 0.5182 0.2466 0.0877 ( 22174 PWs) bands (ev): -64.3296 -64.3296 -64.3275 -64.3275 -36.3964 -36.3964 -36.3951 -36.3951 -35.4492 -35.4492 -35.4489 -35.4489 -35.3823 -35.3823 -35.3790 -35.3790 -5.8708 -5.8708 -5.2934 -5.2934 -3.9935 -3.9935 -3.9810 -3.9810 -3.9182 -3.9182 -3.9131 -3.9131 -1.4096 -1.4096 0.4788 0.4788 2.0461 2.0461 2.2370 2.2370 2.3241 2.3241 2.5251 2.5251 2.5567 2.5567 2.7589 2.7589 3.7135 3.7135 4.0745 4.0745 4.5159 4.5159 4.5745 4.5745 4.6384 4.6384 4.7063 4.7063 5.0865 5.0865 5.2306 5.2306 5.4138 5.4138 6.1365 6.1365 6.5270 6.5270 6.7417 6.7417 6.7787 6.7787 6.9119 6.9119 7.0066 7.0066 7.0823 7.0823 7.1831 7.1831 7.9681 7.9681 7.9927 7.9927 8.5539 8.5539 8.8002 8.8002 k = 0.5121 0.2437 0.1112 ( 22185 PWs) bands (ev): -64.3295 -64.3295 -64.3279 -64.3279 -36.3964 -36.3964 -36.3951 -36.3951 -35.4492 -35.4492 -35.4489 -35.4489 -35.3824 -35.3824 -35.3790 -35.3790 -5.8757 -5.8757 -5.2978 -5.2978 -3.9759 -3.9759 -3.9702 -3.9702 -3.9207 -3.9207 -3.9172 -3.9172 -1.4187 -1.4187 0.4817 0.4817 2.0424 2.0424 2.2694 2.2694 2.3271 2.3271 2.4883 2.4883 2.5462 2.5462 2.7201 2.7201 3.7018 3.7018 4.0804 4.0804 4.5485 4.5485 4.5935 4.5935 4.6377 4.6377 4.6874 4.6874 5.0703 5.0703 5.2250 5.2250 5.4234 5.4234 6.1766 6.1766 6.5762 6.5762 6.7344 6.7344 6.7658 6.7658 6.9090 6.9090 7.0246 7.0246 7.0775 7.0775 7.1523 7.1523 7.9595 7.9595 7.9822 7.9822 8.5931 8.5931 8.8463 8.8463 k = 0.5061 0.2408 0.1347 ( 22182 PWs) bands (ev): -64.3295 -64.3295 -64.3278 -64.3278 -36.3964 -36.3964 -36.3951 -36.3951 -35.4492 -35.4492 -35.4489 -35.4489 -35.3824 -35.3824 -35.3789 -35.3789 -5.8787 -5.8787 -5.3005 -5.3005 -3.9635 -3.9635 -3.9620 -3.9620 -3.9244 -3.9244 -3.9208 -3.9208 -1.4242 -1.4242 0.4835 0.4835 2.0399 2.0399 2.2859 2.2859 2.3470 2.3470 2.4513 2.4513 2.5409 2.5409 2.6959 2.6959 3.6947 3.6947 4.0840 4.0840 4.5681 4.5681 4.6130 4.6130 4.6361 4.6361 4.6714 4.6714 5.0572 5.0572 5.2230 5.2230 5.4294 5.4294 6.2013 6.2013 6.6132 6.6132 6.7292 6.7292 6.7531 6.7531 6.9075 6.9075 7.0442 7.0442 7.0732 7.0732 7.1255 7.1255 7.9545 7.9545 7.9766 7.9766 8.6164 8.6164 8.8842 8.8842 k = 0.5000 0.2379 0.1582 ( 22182 PWs) bands (ev): -64.3296 -64.3296 -64.3277 -64.3277 -36.3964 -36.3964 -36.3951 -36.3951 -35.4492 -35.4492 -35.4489 -35.4489 -35.3824 -35.3824 -35.3790 -35.3790 -5.8797 -5.8797 -5.3014 -5.3014 -3.9589 -3.9589 -3.9586 -3.9586 -3.9264 -3.9264 -3.9225 -3.9225 -1.4260 -1.4260 0.4841 0.4841 2.0390 2.0390 2.2893 2.2893 2.3648 2.3648 2.4299 2.4299 2.5391 2.5391 2.6877 2.6877 3.6923 3.6923 4.0852 4.0852 4.5745 4.5745 4.6233 4.6233 4.6350 4.6350 4.6632 4.6632 5.0521 5.0521 5.2225 5.2225 5.4314 5.4314 6.2097 6.2097 6.6280 6.6280 6.7272 6.7272 6.7467 6.7467 6.9071 6.9071 7.0597 7.0597 7.0656 7.0656 7.1137 7.1137 7.9528 7.9528 7.9749 7.9749 8.6238 8.6238 8.8994 8.8994 k = 0.5000-0.4064-0.2702 ( 22196 PWs) bands (ev): -64.3296 -64.3296 -64.3282 -64.3282 -36.3960 -36.3960 -36.3957 -36.3957 -35.4491 -35.4491 -35.4491 -35.4491 -35.3812 -35.3812 -35.3802 -35.3802 -5.5323 -5.5323 -4.9478 -4.9478 -4.6126 -4.6126 -4.2136 -4.2136 -4.1304 -4.1304 -4.1144 -4.1144 -1.0355 -1.0355 0.3652 0.3652 2.0547 2.0547 2.1687 2.1687 2.7921 2.7921 2.9353 2.9353 2.9924 2.9924 3.5611 3.5611 4.0780 4.0780 4.1434 4.1434 4.2186 4.2186 4.2920 4.2920 4.5955 4.5955 4.9256 4.9256 5.0578 5.0578 5.2006 5.2006 5.4466 5.4466 5.5625 5.5625 6.1088 6.1088 6.2550 6.2550 6.6627 6.6627 6.8922 6.8922 6.9839 6.9839 7.1228 7.1228 7.2098 7.2098 7.8485 7.8485 8.4120 8.4120 8.4427 8.4427 8.5759 8.5759 k = 0.5174-0.3915-0.2604 ( 22194 PWs) bands (ev): -64.3293 -64.3293 -64.3284 -64.3284 -36.3960 -36.3960 -36.3956 -36.3956 -35.4492 -35.4492 -35.4490 -35.4490 -35.3812 -35.3812 -35.3802 -35.3802 -5.5319 -5.5319 -4.9471 -4.9471 -4.6147 -4.6147 -4.2136 -4.2136 -4.1314 -4.1314 -4.1130 -4.1130 -1.0350 -1.0350 0.3657 0.3657 2.0536 2.0536 2.1716 2.1716 2.7886 2.7886 2.9353 2.9353 2.9971 2.9971 3.5620 3.5620 4.0776 4.0776 4.1430 4.1430 4.2179 4.2179 4.2925 4.2925 4.5944 4.5944 4.9199 4.9199 5.0589 5.0589 5.1987 5.1987 5.4494 5.4494 5.5616 5.5616 6.1046 6.1046 6.2557 6.2557 6.6649 6.6649 6.8916 6.8916 6.9846 6.9846 7.1227 7.1227 7.2094 7.2094 7.8505 7.8505 8.3980 8.3980 8.4519 8.4519 8.5766 8.5766 k = 0.5349-0.3767-0.2505 ( 22198 PWs) bands (ev): -64.3294 -64.3294 -64.3285 -64.3285 -36.3960 -36.3960 -36.3956 -36.3956 -35.4492 -35.4492 -35.4490 -35.4490 -35.3812 -35.3812 -35.3802 -35.3802 -5.5305 -5.5305 -4.9450 -4.9450 -4.6208 -4.6208 -4.2135 -4.2135 -4.1337 -4.1337 -4.1095 -4.1095 -1.0336 -1.0336 0.3674 0.3674 2.0505 2.0505 2.1800 2.1800 2.7789 2.7789 2.9356 2.9356 3.0099 3.0099 3.5646 3.5646 4.0757 4.0757 4.1419 4.1419 4.2161 4.2161 4.2934 4.2934 4.5913 4.5913 4.9040 4.9040 5.0618 5.0618 5.1931 5.1931 5.4568 5.4568 5.5592 5.5592 6.0924 6.0924 6.2584 6.2584 6.6687 6.6687 6.8897 6.8897 6.9877 6.9877 7.1215 7.1215 7.2097 7.2097 7.8534 7.8534 8.3713 8.3713 8.4647 8.4647 8.5796 8.5796 k = 0.5523-0.3618-0.2406 ( 22191 PWs) bands (ev): -64.3292 -64.3292 -64.3284 -64.3284 -36.3960 -36.3960 -36.3956 -36.3956 -35.4492 -35.4492 -35.4490 -35.4490 -35.3812 -35.3812 -35.3801 -35.3801 -5.5283 -5.5283 -4.9414 -4.9414 -4.6306 -4.6306 -4.2135 -4.2135 -4.1361 -4.1361 -4.1048 -4.1048 -1.0313 -1.0313 0.3701 0.3701 2.0463 2.0463 2.1929 2.1929 2.7651 2.7651 2.9365 2.9365 3.0288 3.0288 3.5686 3.5686 4.0727 4.0727 4.1398 4.1398 4.2138 4.2138 4.2949 4.2949 4.5862 4.5862 4.8804 4.8804 5.0651 5.0651 5.1851 5.1851 5.4645 5.4645 5.5579 5.5579 6.0730 6.0730 6.2631 6.2631 6.6748 6.6748 6.8874 6.8874 6.9921 6.9921 7.1202 7.1202 7.2104 7.2104 7.8585 7.8585 8.3403 8.3403 8.4744 8.4744 8.5853 8.5853 k = 0.5697-0.3469-0.2307 ( 22192 PWs) bands (ev): -64.3294 -64.3294 -64.3282 -64.3282 -36.3960 -36.3960 -36.3956 -36.3956 -35.4491 -35.4491 -35.4490 -35.4490 -35.3812 -35.3812 -35.3802 -35.3802 -5.5253 -5.5253 -4.9365 -4.9365 -4.6439 -4.6439 -4.2139 -4.2139 -4.1384 -4.1384 -4.0996 -4.0996 -1.0282 -1.0282 0.3738 0.3738 2.0416 2.0416 2.2092 2.2092 2.7494 2.7494 2.9383 2.9383 3.0517 3.0517 3.5732 3.5732 4.0683 4.0683 4.1366 4.1366 4.2116 4.2116 4.2965 4.2965 4.5792 4.5792 4.8515 4.8515 5.0674 5.0674 5.1758 5.1758 5.4661 5.4661 5.5616 5.5616 6.0471 6.0471 6.2704 6.2704 6.6819 6.6819 6.8838 6.8838 6.9984 6.9984 7.1175 7.1175 7.2113 7.2113 7.8648 7.8648 8.3053 8.3053 8.4807 8.4807 8.5927 8.5927 k = 0.5872-0.3320-0.2208 ( 22190 PWs) bands (ev): -64.3293 -64.3293 -64.3283 -64.3283 -36.3960 -36.3960 -36.3956 -36.3956 -35.4491 -35.4491 -35.4490 -35.4490 -35.3812 -35.3812 -35.3802 -35.3802 -5.5216 -5.5216 -4.9302 -4.9302 -4.6602 -4.6602 -4.2146 -4.2146 -4.1403 -4.1403 -4.0940 -4.0940 -1.0242 -1.0242 0.3785 0.3785 2.0369 2.0369 2.2280 2.2280 2.7334 2.7334 2.9414 2.9414 3.0770 3.0770 3.5776 3.5776 4.0625 4.0625 4.1319 4.1319 4.2103 4.2103 4.2985 4.2985 4.5702 4.5702 4.8199 4.8199 5.0680 5.0680 5.1660 5.1660 5.4574 5.4574 5.5732 5.5732 6.0162 6.0162 6.2792 6.2792 6.6898 6.6898 6.8804 6.8804 7.0041 7.0041 7.1160 7.1160 7.2126 7.2126 7.8729 7.8729 8.2682 8.2682 8.4847 8.4847 8.6011 8.6011 k = 0.6046-0.3172-0.2109 ( 22179 PWs) bands (ev): -64.3293 -64.3293 -64.3279 -64.3279 -36.3959 -36.3959 -36.3956 -36.3956 -35.4491 -35.4491 -35.4490 -35.4490 -35.3812 -35.3812 -35.3802 -35.3802 -5.5171 -5.5171 -4.9225 -4.9225 -4.6788 -4.6788 -4.2159 -4.2159 -4.1419 -4.1419 -4.0883 -4.0883 -1.0197 -1.0197 0.3841 0.3841 2.0326 2.0326 2.2481 2.2481 2.7183 2.7183 2.9462 2.9462 3.1038 3.1038 3.5809 3.5809 4.0552 4.0552 4.1259 4.1259 4.2103 4.2103 4.3006 4.3006 4.5593 4.5593 4.7873 4.7873 5.0669 5.0669 5.1563 5.1563 5.4389 5.4389 5.5909 5.5909 5.9819 5.9819 6.2901 6.2901 6.6976 6.6976 6.8772 6.8772 7.0111 7.0111 7.1148 7.1148 7.2146 7.2146 7.8820 7.8820 8.2296 8.2296 8.4881 8.4881 8.6102 8.6102 k = 0.6220-0.3023-0.2010 ( 22172 PWs) bands (ev): -64.3292 -64.3292 -64.3278 -64.3278 -36.3959 -36.3959 -36.3956 -36.3956 -35.4490 -35.4490 -35.4490 -35.4490 -35.3812 -35.3812 -35.3801 -35.3801 -5.5122 -5.5122 -4.9136 -4.9136 -4.6994 -4.6994 -4.2178 -4.2178 -4.1433 -4.1433 -4.0824 -4.0824 -1.0146 -1.0146 0.3905 0.3905 2.0286 2.0286 2.2687 2.2687 2.7049 2.7049 2.9533 2.9533 3.1313 3.1313 3.5819 3.5819 4.0466 4.0466 4.1188 4.1188 4.2117 4.2117 4.3030 4.3030 4.5464 4.5464 4.7558 4.7558 5.0635 5.0635 5.1470 5.1470 5.4132 5.4132 5.6113 5.6113 5.9456 5.9456 6.3023 6.3023 6.7050 6.7050 6.8742 6.8742 7.0171 7.0171 7.1141 7.1141 7.2166 7.2166 7.8916 7.8916 8.1904 8.1904 8.4912 8.4912 8.6192 8.6192 k = 0.6395-0.2874-0.1911 ( 22164 PWs) bands (ev): -64.3291 -64.3291 -64.3276 -64.3276 -36.3959 -36.3959 -36.3955 -36.3955 -35.4490 -35.4490 -35.4489 -35.4489 -35.3811 -35.3811 -35.3801 -35.3801 -5.5068 -5.5068 -4.9035 -4.9035 -4.7214 -4.7214 -4.2202 -4.2202 -4.1448 -4.1448 -4.0765 -4.0765 -1.0092 -1.0092 0.3975 0.3975 2.0251 2.0251 2.2886 2.2886 2.6942 2.6942 2.9630 2.9630 3.1589 3.1589 3.5796 3.5796 4.0368 4.0368 4.1111 4.1111 4.2142 4.2142 4.3060 4.3060 4.5316 4.5316 4.7270 4.7270 5.0577 5.0577 5.1382 5.1382 5.3827 5.3827 5.6322 5.6322 5.9087 5.9087 6.3154 6.3154 6.7116 6.7116 6.8712 6.8712 7.0216 7.0216 7.1138 7.1138 7.2185 7.2185 7.9015 7.9015 8.1524 8.1524 8.4949 8.4949 8.6287 8.6287 k = 0.6569-0.2726-0.1812 ( 22154 PWs) bands (ev): -64.3288 -64.3288 -64.3275 -64.3275 -36.3959 -36.3959 -36.3955 -36.3955 -35.4490 -35.4490 -35.4489 -35.4489 -35.3811 -35.3811 -35.3801 -35.3801 -5.5013 -5.5013 -4.8923 -4.8923 -4.7441 -4.7441 -4.2229 -4.2229 -4.1464 -4.1464 -4.0708 -4.0708 -1.0035 -1.0035 0.4051 0.4051 2.0220 2.0220 2.3066 2.3066 2.6869 2.6869 2.9759 2.9759 3.1863 3.1863 3.5729 3.5729 4.0262 4.0262 4.1033 4.1033 4.2171 4.2171 4.3099 4.3099 4.5147 4.5147 4.7024 4.7024 5.0487 5.0487 5.1301 5.1301 5.3493 5.3493 5.6520 5.6520 5.8726 5.8726 6.3287 6.3287 6.7172 6.7172 6.8689 6.8689 7.0247 7.0247 7.1151 7.1151 7.2210 7.2210 7.9111 7.9111 8.1164 8.1164 8.4984 8.4984 8.6389 8.6389 k = 0.6743-0.2577-0.1714 ( 22163 PWs) bands (ev): -64.3289 -64.3289 -64.3278 -64.3278 -36.3959 -36.3959 -36.3955 -36.3955 -35.4491 -35.4491 -35.4489 -35.4489 -35.3812 -35.3812 -35.3801 -35.3801 -5.4957 -5.4957 -4.8804 -4.8804 -4.7668 -4.7668 -4.2260 -4.2260 -4.1484 -4.1484 -4.0651 -4.0651 -0.9978 -0.9978 0.4131 0.4131 2.0193 2.0193 2.3215 2.3215 2.6835 2.6835 2.9925 2.9925 3.2129 3.2129 3.5612 3.5612 4.0149 4.0149 4.0957 4.0957 4.2194 4.2194 4.3146 4.3146 4.4964 4.4964 4.6829 4.6829 5.0360 5.0360 5.1220 5.1220 5.3153 5.3153 5.6691 5.6691 5.8387 5.8387 6.3421 6.3421 6.7217 6.7217 6.8660 6.8660 7.0262 7.0262 7.1161 7.1161 7.2236 7.2236 7.9184 7.9184 8.0835 8.0835 8.5011 8.5011 8.6492 8.6492 k = 0.6917-0.2428-0.1615 ( 22165 PWs) bands (ev): -64.3290 -64.3290 -64.3278 -64.3278 -36.3959 -36.3959 -36.3955 -36.3955 -35.4491 -35.4491 -35.4489 -35.4489 -35.3812 -35.3812 -35.3800 -35.3800 -5.4904 -5.4904 -4.8682 -4.8682 -4.7884 -4.7884 -4.2291 -4.2291 -4.1508 -4.1508 -4.0596 -4.0596 -0.9922 -0.9922 0.4213 0.4213 2.0171 2.0171 2.3323 2.3323 2.6841 2.6841 3.0130 3.0130 3.2383 3.2383 3.5445 3.5445 4.0035 4.0035 4.0887 4.0887 4.2206 4.2206 4.3199 4.3199 4.4777 4.4777 4.6694 4.6694 5.0188 5.0188 5.1132 5.1132 5.2841 5.2841 5.6816 5.6816 5.8095 5.8095 6.3555 6.3555 6.7253 6.7253 6.8636 6.8636 7.0266 7.0266 7.1177 7.1177 7.2263 7.2263 7.9216 7.9216 8.0573 8.0573 8.5037 8.5037 8.6605 8.6605 k = 0.7092-0.2279-0.1516 ( 22162 PWs) bands (ev): -64.3289 -64.3289 -64.3278 -64.3278 -36.3959 -36.3959 -36.3955 -36.3955 -35.4491 -35.4491 -35.4489 -35.4489 -35.3812 -35.3812 -35.3800 -35.3800 -5.4856 -5.4856 -4.8580 -4.8580 -4.8063 -4.8063 -4.2324 -4.2324 -4.1537 -4.1537 -4.0544 -4.0544 -0.9870 -0.9870 0.4296 0.4296 2.0152 2.0152 2.3385 2.3385 2.6885 2.6885 3.0377 3.0377 3.2619 3.2619 3.5235 3.5235 3.9921 3.9921 4.0825 4.0825 4.2201 4.2201 4.3242 4.3242 4.4606 4.4606 4.6622 4.6622 4.9966 4.9966 5.1021 5.1021 5.2592 5.2592 5.6849 5.6849 5.7891 5.7891 6.3692 6.3692 6.7279 6.7279 6.8612 6.8612 7.0260 7.0260 7.1192 7.1192 7.2304 7.2304 7.9183 7.9183 8.0413 8.0413 8.5059 8.5059 8.6719 8.6719 k = 0.7266-0.2131-0.1417 ( 22157 PWs) bands (ev): -64.3289 -64.3289 -64.3277 -64.3277 -36.3959 -36.3959 -36.3955 -36.3955 -35.4490 -35.4490 -35.4489 -35.4489 -35.3812 -35.3812 -35.3800 -35.3800 -5.4817 -5.4817 -4.8567 -4.8567 -4.8131 -4.8131 -4.2356 -4.2356 -4.1572 -4.1572 -4.0493 -4.0493 -0.9822 -0.9822 0.4377 0.4377 2.0137 2.0137 2.3401 2.3401 2.6957 2.6957 3.0666 3.0666 3.2825 3.2825 3.4999 3.4999 3.9807 3.9807 4.0772 4.0772 4.2181 4.2181 4.3250 4.3250 4.4476 4.4476 4.6613 4.6613 4.9692 4.9692 5.0882 5.0882 5.2429 5.2429 5.6749 5.6749 5.7820 5.7820 6.3826 6.3826 6.7305 6.7305 6.8588 6.8588 7.0251 7.0251 7.1204 7.1204 7.2344 7.2344 7.9074 7.9074 8.0365 8.0365 8.5075 8.5075 8.6824 8.6824 k = 0.7440-0.1982-0.1318 ( 22147 PWs) bands (ev): -64.3288 -64.3288 -64.3275 -64.3275 -36.3959 -36.3959 -36.3955 -36.3955 -35.4490 -35.4490 -35.4489 -35.4489 -35.3811 -35.3811 -35.3800 -35.3800 -5.4790 -5.4790 -4.8679 -4.8679 -4.8048 -4.8048 -4.2387 -4.2387 -4.1612 -4.1612 -4.0446 -4.0446 -0.9780 -0.9780 0.4457 0.4457 2.0125 2.0125 2.3374 2.3374 2.7046 2.7046 3.0990 3.0990 3.2977 3.2977 3.4775 3.4775 3.9691 3.9691 4.0728 4.0728 4.2148 4.2148 4.3195 4.3195 4.4406 4.4406 4.6668 4.6668 4.9374 4.9374 5.0725 5.0725 5.2354 5.2354 5.6538 5.6538 5.7858 5.7858 6.3962 6.3962 6.7326 6.7326 6.8567 6.8567 7.0236 7.0236 7.1208 7.1208 7.2386 7.2386 7.8923 7.8923 8.0408 8.0408 8.5086 8.5086 8.6906 8.6906 k = 0.7615-0.1833-0.1219 ( 22155 PWs) bands (ev): -64.3290 -64.3290 -64.3275 -64.3275 -36.3959 -36.3959 -36.3955 -36.3955 -35.4490 -35.4490 -35.4489 -35.4489 -35.3812 -35.3812 -35.3800 -35.3800 -5.4779 -5.4779 -4.8828 -4.8828 -4.7897 -4.7897 -4.2417 -4.2417 -4.1656 -4.1656 -4.0401 -4.0401 -0.9747 -0.9747 0.4532 0.4532 2.0116 2.0116 2.3312 2.3312 2.7139 2.7139 3.1332 3.1332 3.3040 3.3040 3.4621 3.4621 3.9571 3.9571 4.0691 4.0691 4.2108 4.2108 4.3076 4.3076 4.4391 4.4391 4.6779 4.6779 4.9033 4.9033 5.0568 5.0568 5.2346 5.2346 5.6276 5.6276 5.7945 5.7945 6.4086 6.4086 6.7337 6.7337 6.8543 6.8543 7.0214 7.0214 7.1204 7.1204 7.2421 7.2421 7.8759 7.8759 8.0496 8.0496 8.5090 8.5090 8.6948 8.6948 k = 0.7789-0.1685-0.1120 ( 22163 PWs) bands (ev): -64.3290 -64.3290 -64.3278 -64.3278 -36.3960 -36.3960 -36.3955 -36.3955 -35.4491 -35.4491 -35.4489 -35.4489 -35.3812 -35.3812 -35.3800 -35.3800 -5.4789 -5.4789 -4.8967 -4.8967 -4.7721 -4.7721 -4.2445 -4.2445 -4.1703 -4.1703 -4.0360 -4.0360 -0.9723 -0.9723 0.4600 0.4600 2.0107 2.0107 2.3221 2.3221 2.7222 2.7222 3.1651 3.1651 3.3001 3.3001 3.4599 3.4599 3.9443 3.9443 4.0662 4.0662 4.2064 4.2064 4.2914 4.2914 4.4404 4.4404 4.6926 4.6926 4.8710 4.8710 5.0423 5.0423 5.2384 5.2384 5.6000 5.6000 5.8048 5.8048 6.4208 6.4208 6.7349 6.7349 6.8521 6.8521 7.0190 7.0190 7.1187 7.1187 7.2460 7.2460 7.8614 7.8614 8.0613 8.0613 8.5088 8.5088 8.6940 8.6940 Writing output data file CrSiTe3.save init_run : 0.48s CPU 0.59s WALL ( 1 calls) electrons : 732.03s CPU 737.42s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 732.02s CPU 737.41s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.15s CPU 0.18s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.13s CPU 0.21s WALL ( 202 calls) cegterg : 668.29s CPU 672.60s WALL ( 360 calls) Called by sum_band: Called by *egterg: h_psi : 526.80s CPU 531.35s WALL ( 5547 calls) s_psi : 23.58s CPU 23.57s WALL ( 5547 calls) g_psi : 0.70s CPU 0.75s WALL ( 4985 calls) cdiaghg : 99.45s CPU 99.71s WALL ( 5187 calls) cegterg:over : 26.57s CPU 26.49s WALL ( 4985 calls) cegterg:upda : 20.98s CPU 20.81s WALL ( 4985 calls) cegterg:last : 14.51s CPU 14.57s WALL ( 964 calls) cdiaghg:chol : 4.30s CPU 4.37s WALL ( 5187 calls) cdiaghg:inve : 2.96s CPU 2.99s WALL ( 5187 calls) cdiaghg:para : 6.61s CPU 6.31s WALL ( 10374 calls) Called by h_psi: h_psi:vloc : 471.19s CPU 475.60s WALL ( 5547 calls) h_psi:vnl : 54.80s CPU 54.99s WALL ( 5547 calls) add_vuspsi : 29.73s CPU 29.83s WALL ( 5547 calls) General routines calbec : 25.05s CPU 25.14s WALL ( 5547 calls) fft : 0.02s CPU 0.03s WALL ( 15 calls) fftw : 452.06s CPU 456.42s WALL ( 940740 calls) davcio : 0.26s CPU 0.59s WALL ( 404 calls) Parallel routines fft_scatter : 185.43s CPU 186.53s WALL ( 940755 calls) PWSCF : 13m17.26s CPU 14m14.02s WALL This run was terminated on: 13:42:36 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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