Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:25:12 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./AlF3.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 53 34 9 1555 771 120 Max 54 35 10 1559 790 124 Sum 1941 1229 359 56043 28109 4411 bravais-lattice index = 14 lattice parameter (alat) = 9.5080 a.u. unit-cell volume = 589.4196 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.508020 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.519858 celldm(5)= 0.519858 celldm(6)= 0.519858 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.519858 0.854253 0.000000 ) a(3) = ( 0.519858 0.292192 0.802727 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.608553 -0.426102 ) b(2) = ( 0.000000 1.170614 -0.426102 ) b(3) = ( 0.000000 0.000000 1.245753 ) PseudoPot. # 1 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential F 7.00 18.99840 F( 1.00) Al 3.00 26.98150 Al( 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= 288 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 2) = ( 0.0128205 -0.0078020 -0.0054628), wk = 0.0034722 k( 3) = ( 0.0256410 -0.0156039 -0.0109257), wk = 0.0034722 k( 4) = ( 0.0384615 -0.0234059 -0.0163885), wk = 0.0034722 k( 5) = ( 0.0512821 -0.0312079 -0.0218514), wk = 0.0034722 k( 6) = ( 0.0641026 -0.0390098 -0.0273142), wk = 0.0034722 k( 7) = ( 0.0769231 -0.0468118 -0.0327771), wk = 0.0034722 k( 8) = ( 0.0897436 -0.0546138 -0.0382399), wk = 0.0034722 k( 9) = ( 0.1025641 -0.0624157 -0.0437028), wk = 0.0034722 k( 10) = ( 0.1153846 -0.0702177 -0.0491656), wk = 0.0034722 k( 11) = ( 0.1282051 -0.0780197 -0.0546285), wk = 0.0034722 k( 12) = ( 0.1410256 -0.0858216 -0.0600913), wk = 0.0034722 k( 13) = ( 0.1538461 -0.0936236 -0.0655542), wk = 0.0034722 k( 14) = ( 0.1666667 -0.1014256 -0.0710170), wk = 0.0034722 k( 15) = ( 0.1794872 -0.1092275 -0.0764799), wk = 0.0034722 k( 16) = ( 0.1923077 -0.1170295 -0.0819427), wk = 0.0034722 k( 17) = ( 0.2051282 -0.1248315 -0.0874056), wk = 0.0034722 k( 18) = ( 0.2179487 -0.1326334 -0.0928684), wk = 0.0034722 k( 19) = ( 0.2307692 -0.1404354 -0.0983313), wk = 0.0034722 k( 20) = ( 0.2435897 -0.1482374 -0.1037941), wk = 0.0034722 k( 21) = ( 0.2564103 -0.1560393 -0.1092570), wk = 0.0034722 k( 22) = ( 0.2692308 -0.1638413 -0.1147198), wk = 0.0034722 k( 23) = ( 0.2820513 -0.1716433 -0.1201827), wk = 0.0034722 k( 24) = ( 0.2948718 -0.1794452 -0.1256455), wk = 0.0034722 k( 25) = ( 0.3076923 -0.1872472 -0.1311084), wk = 0.0034722 k( 26) = ( 0.3205128 -0.1950492 -0.1365712), wk = 0.0034722 k( 27) = ( 0.3333333 -0.2028511 -0.1420341), wk = 0.0034722 k( 28) = ( 0.3461538 -0.2106531 -0.1474969), wk = 0.0034722 k( 29) = ( 0.3589744 -0.2184551 -0.1529598), wk = 0.0034722 k( 30) = ( 0.3717949 -0.2262570 -0.1584226), wk = 0.0034722 k( 31) = ( 0.3846154 -0.2340590 -0.1638855), wk = 0.0034722 k( 32) = ( 0.3974359 -0.2418610 -0.1693483), wk = 0.0034722 k( 33) = ( 0.4102564 -0.2496629 -0.1748112), wk = 0.0034722 k( 34) = ( 0.4230769 -0.2574649 -0.1802740), wk = 0.0034722 k( 35) = ( 0.4358974 -0.2652669 -0.1857369), wk = 0.0034722 k( 36) = ( 0.4487179 -0.2730688 -0.1911997), wk = 0.0034722 k( 37) = ( 0.4615385 -0.2808708 -0.1966626), wk = 0.0034722 k( 38) = ( 0.4743590 -0.2886728 -0.2021254), wk = 0.0034722 k( 39) = ( 0.4871795 -0.2964747 -0.2075883), wk = 0.0034722 k( 40) = ( 0.5000000 -0.3042767 -0.2130511), wk = 0.0034722 k( 41) = ( 0.5000000 -0.3042767 -0.2130511), wk = 0.0034722 k( 42) = ( 0.5000000 -0.2953093 -0.2258581), wk = 0.0034722 k( 43) = ( 0.5000000 -0.2863420 -0.2386652), wk = 0.0034722 k( 44) = ( 0.5000000 -0.2773747 -0.2514722), wk = 0.0034722 k( 45) = ( 0.5000000 -0.2684073 -0.2642793), wk = 0.0034722 k( 46) = ( 0.5000000 -0.2594400 -0.2770863), wk = 0.0034722 k( 47) = ( 0.5000000 -0.2504726 -0.2898934), wk = 0.0034722 k( 48) = ( 0.5000000 -0.2415053 -0.3027004), wk = 0.0034722 k( 49) = ( 0.5000000 -0.2325379 -0.3155074), wk = 0.0034722 k( 50) = ( 0.5000000 -0.2235706 -0.3283145), wk = 0.0034722 k( 51) = ( 0.5000000 -0.2146032 -0.3411215), wk = 0.0034722 k( 52) = ( 0.5000000 -0.2056359 -0.3539286), wk = 0.0034722 k( 53) = ( 0.5000000 -0.1966685 -0.3667356), wk = 0.0034722 k( 54) = ( 0.5000000 -0.1877012 -0.3795427), wk = 0.0034722 k( 55) = ( 0.5000000 -0.1787339 -0.3923497), wk = 0.0034722 k( 56) = ( 0.5000000 -0.1697665 -0.4051567), wk = 0.0034722 k( 57) = ( 0.5000000 -0.1607992 -0.4179638), wk = 0.0034722 k( 58) = ( 0.5000000 -0.1518318 -0.4307708), wk = 0.0034722 k( 59) = ( 0.5000000 -0.1428645 -0.4435779), wk = 0.0034722 k( 60) = ( 0.5000000 -0.1338971 -0.4563849), wk = 0.0034722 k( 61) = ( 0.5000000 -0.1249298 -0.4691919), wk = 0.0034722 k( 62) = ( 0.5000000 -0.1159624 -0.4819990), wk = 0.0034722 k( 63) = ( 0.5000000 -0.1069951 -0.4948060), wk = 0.0034722 k( 64) = ( 0.5000000 -0.0980277 -0.5076131), wk = 0.0034722 k( 65) = ( 0.5000000 -0.0890604 -0.5204201), wk = 0.0034722 k( 66) = ( 0.5000000 -0.0800930 -0.5332272), wk = 0.0034722 k( 67) = ( 0.5000000 -0.0711257 -0.5460342), wk = 0.0034722 k( 68) = ( 0.5000000 -0.0621583 -0.5588412), wk = 0.0034722 k( 69) = ( 0.5000000 -0.0531910 -0.5716483), wk = 0.0034722 k( 70) = ( 0.5000000 -0.0442237 -0.5844553), wk = 0.0034722 k( 71) = ( 0.5000000 -0.0352563 -0.5972624), wk = 0.0034722 k( 72) = ( 0.5000000 -0.0262890 -0.6100694), wk = 0.0034722 k( 73) = ( 0.5000000 -0.0173216 -0.6228765), wk = 0.0034722 k( 74) = ( 0.7548679 0.1259296 -0.2293279), wk = 0.0034722 k( 75) = ( 0.7471446 0.1306296 -0.2164158), wk = 0.0034722 k( 76) = ( 0.7394214 0.1353296 -0.2035036), wk = 0.0034722 k( 77) = ( 0.7316981 0.1400297 -0.1905914), wk = 0.0034722 k( 78) = ( 0.7239748 0.1447297 -0.1776792), wk = 0.0034722 k( 79) = ( 0.7162515 0.1494297 -0.1647670), wk = 0.0034722 k( 80) = ( 0.7085283 0.1541297 -0.1518548), wk = 0.0034722 k( 81) = ( 0.7008050 0.1588298 -0.1389426), wk = 0.0034722 k( 82) = ( 0.6930817 0.1635298 -0.1260304), wk = 0.0034722 k( 83) = ( 0.6853585 0.1682298 -0.1131183), wk = 0.0034722 k( 84) = ( 0.6776352 0.1729298 -0.1002061), wk = 0.0034722 k( 85) = ( 0.6699119 0.1776298 -0.0872939), wk = 0.0034722 k( 86) = ( 0.6621887 0.1823299 -0.0743817), wk = 0.0034722 k( 87) = ( 0.6544654 0.1870299 -0.0614695), wk = 0.0034722 k( 88) = ( 0.6467421 0.1917299 -0.0485573), wk = 0.0034722 k( 89) = ( 0.6390189 0.1964299 -0.0356451), wk = 0.0034722 k( 90) = ( 0.6312956 0.2011300 -0.0227329), wk = 0.0034722 k( 91) = ( 0.6235723 0.2058300 -0.0098207), wk = 0.0034722 k( 92) = ( 0.6158491 0.2105300 0.0030914), wk = 0.0034722 k( 93) = ( 0.6081258 0.2152300 0.0160036), wk = 0.0034722 k( 94) = ( 0.6004025 0.2199300 0.0289158), wk = 0.0034722 k( 95) = ( 0.5926792 0.2246301 0.0418280), wk = 0.0034722 k( 96) = ( 0.5849560 0.2293301 0.0547402), wk = 0.0034722 k( 97) = ( 0.5772327 0.2340301 0.0676524), wk = 0.0034722 k( 98) = ( 0.5695094 0.2387301 0.0805646), wk = 0.0034722 k( 99) = ( 0.5617862 0.2434301 0.0934767), wk = 0.0034722 k( 100) = ( 0.5540629 0.2481302 0.1063889), wk = 0.0034722 k( 101) = ( 0.5463396 0.2528302 0.1193011), wk = 0.0034722 k( 102) = ( 0.5386163 0.2575302 0.1322133), wk = 0.0034722 k( 103) = ( 0.5308931 0.2622302 0.1451255), wk = 0.0034722 k( 104) = ( 0.5231698 0.2669303 0.1580377), wk = 0.0034722 k( 105) = ( 0.5154465 0.2716303 0.1709499), wk = 0.0034722 k( 106) = ( 0.5077233 0.2763303 0.1838621), wk = 0.0034722 k( 107) = ( 0.5000000 0.2810303 0.1967743), wk = 0.0034722 k( 108) = ( 0.5000000 0.2810303 0.1967743), wk = 0.0034722 k( 109) = ( 0.4868421 0.2736348 0.1915960), wk = 0.0034722 k( 110) = ( 0.4736842 0.2662393 0.1864177), wk = 0.0034722 k( 111) = ( 0.4605263 0.2588437 0.1812394), wk = 0.0034722 k( 112) = ( 0.4473684 0.2514482 0.1760612), wk = 0.0034722 k( 113) = ( 0.4342105 0.2440527 0.1708829), wk = 0.0034722 k( 114) = ( 0.4210526 0.2366571 0.1657046), wk = 0.0034722 k( 115) = ( 0.4078947 0.2292616 0.1605264), wk = 0.0034722 k( 116) = ( 0.3947368 0.2218660 0.1553481), wk = 0.0034722 k( 117) = ( 0.3815789 0.2144705 0.1501698), wk = 0.0034722 k( 118) = ( 0.3684211 0.2070750 0.1449916), wk = 0.0034722 k( 119) = ( 0.3552632 0.1996794 0.1398133), wk = 0.0034722 k( 120) = ( 0.3421053 0.1922839 0.1346350), wk = 0.0034722 k( 121) = ( 0.3289474 0.1848884 0.1294567), wk = 0.0034722 k( 122) = ( 0.3157895 0.1774928 0.1242785), wk = 0.0034722 k( 123) = ( 0.3026316 0.1700973 0.1191002), wk = 0.0034722 k( 124) = ( 0.2894737 0.1627018 0.1139219), wk = 0.0034722 k( 125) = ( 0.2763158 0.1553062 0.1087437), wk = 0.0034722 k( 126) = ( 0.2631579 0.1479107 0.1035654), wk = 0.0034722 k( 127) = ( 0.2500000 0.1405152 0.0983871), wk = 0.0034722 k( 128) = ( 0.2368421 0.1331196 0.0932089), wk = 0.0034722 k( 129) = ( 0.2236842 0.1257241 0.0880306), wk = 0.0034722 k( 130) = ( 0.2105263 0.1183286 0.0828523), wk = 0.0034722 k( 131) = ( 0.1973684 0.1109330 0.0776740), wk = 0.0034722 k( 132) = ( 0.1842105 0.1035375 0.0724958), wk = 0.0034722 k( 133) = ( 0.1710526 0.0961420 0.0673175), wk = 0.0034722 k( 134) = ( 0.1578947 0.0887464 0.0621392), wk = 0.0034722 k( 135) = ( 0.1447368 0.0813509 0.0569610), wk = 0.0034722 k( 136) = ( 0.1315790 0.0739554 0.0517827), wk = 0.0034722 k( 137) = ( 0.1184210 0.0665598 0.0466044), wk = 0.0034722 k( 138) = ( 0.1052632 0.0591643 0.0414262), wk = 0.0034722 k( 139) = ( 0.0921053 0.0517687 0.0362479), wk = 0.0034722 k( 140) = ( 0.0789474 0.0443732 0.0310696), wk = 0.0034722 k( 141) = ( 0.0657895 0.0369777 0.0258913), wk = 0.0034722 k( 142) = ( 0.0526316 0.0295821 0.0207131), wk = 0.0034722 k( 143) = ( 0.0394737 0.0221866 0.0155348), wk = 0.0034722 k( 144) = ( 0.0263158 0.0147911 0.0103565), wk = 0.0034722 k( 145) = ( 0.0131579 0.0073955 0.0051783), wk = 0.0034722 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 148) = ( 0.0077618 -0.0047235 -0.0129766), wk = 0.0034722 k( 149) = ( 0.0155236 -0.0094469 -0.0259532), wk = 0.0034722 k( 150) = ( 0.0232854 -0.0141704 -0.0389298), wk = 0.0034722 k( 151) = ( 0.0310472 -0.0188939 -0.0519064), wk = 0.0034722 k( 152) = ( 0.0388090 -0.0236173 -0.0648830), wk = 0.0034722 k( 153) = ( 0.0465708 -0.0283408 -0.0778596), wk = 0.0034722 k( 154) = ( 0.0543326 -0.0330643 -0.0908362), wk = 0.0034722 k( 155) = ( 0.0620943 -0.0377877 -0.1038127), wk = 0.0034722 k( 156) = ( 0.0698561 -0.0425112 -0.1167893), wk = 0.0034722 k( 157) = ( 0.0776179 -0.0472347 -0.1297659), wk = 0.0034722 k( 158) = ( 0.0853797 -0.0519581 -0.1427425), wk = 0.0034722 k( 159) = ( 0.0931415 -0.0566816 -0.1557191), wk = 0.0034722 k( 160) = ( 0.1009033 -0.0614051 -0.1686957), wk = 0.0034722 k( 161) = ( 0.1086651 -0.0661285 -0.1816723), wk = 0.0034722 k( 162) = ( 0.1164269 -0.0708520 -0.1946489), wk = 0.0034722 k( 163) = ( 0.1241887 -0.0755754 -0.2076255), wk = 0.0034722 k( 164) = ( 0.1319505 -0.0802989 -0.2206021), wk = 0.0034722 k( 165) = ( 0.1397123 -0.0850224 -0.2335787), wk = 0.0034722 k( 166) = ( 0.1474741 -0.0897458 -0.2465553), wk = 0.0034722 k( 167) = ( 0.1552359 -0.0944693 -0.2595318), wk = 0.0034722 k( 168) = ( 0.1629976 -0.0991928 -0.2725085), wk = 0.0034722 k( 169) = ( 0.1707594 -0.1039162 -0.2854850), wk = 0.0034722 k( 170) = ( 0.1785212 -0.1086397 -0.2984616), wk = 0.0034722 k( 171) = ( 0.1862830 -0.1133632 -0.3114382), wk = 0.0034722 k( 172) = ( 0.1940448 -0.1180866 -0.3244148), wk = 0.0034722 k( 173) = ( 0.2018066 -0.1228101 -0.3373914), wk = 0.0034722 k( 174) = ( 0.2095684 -0.1275336 -0.3503680), wk = 0.0034722 k( 175) = ( 0.2173302 -0.1322570 -0.3633446), wk = 0.0034722 k( 176) = ( 0.2250920 -0.1369805 -0.3763212), wk = 0.0034722 k( 177) = ( 0.2328538 -0.1417040 -0.3892978), wk = 0.0034722 k( 178) = ( 0.2406156 -0.1464274 -0.4022744), wk = 0.0034722 k( 179) = ( 0.2483774 -0.1511509 -0.4152510), wk = 0.0034722 k( 180) = ( 0.2561392 -0.1558744 -0.4282276), wk = 0.0034722 k( 181) = ( 0.2639010 -0.1605978 -0.4412042), wk = 0.0034722 k( 182) = ( 0.2716627 -0.1653213 -0.4541807), wk = 0.0034722 k( 183) = ( 0.2794245 -0.1700448 -0.4671573), wk = 0.0034722 k( 184) = ( 0.2871863 -0.1747682 -0.4801339), wk = 0.0034722 k( 185) = ( 0.2949481 -0.1794917 -0.4931105), wk = 0.0034722 k( 186) = ( 0.3027099 -0.1842151 -0.5060871), wk = 0.0034722 k( 187) = ( 0.3104717 -0.1889386 -0.5190637), wk = 0.0034722 k( 188) = ( 0.3182335 -0.1936621 -0.5320403), wk = 0.0034722 k( 189) = ( 0.3259953 -0.1983855 -0.5450169), wk = 0.0034722 k( 190) = ( 0.3337571 -0.2031090 -0.5579935), wk = 0.0034722 k( 191) = ( 0.3415189 -0.2078325 -0.5709701), wk = 0.0034722 k( 192) = ( 0.3492807 -0.2125559 -0.5839467), wk = 0.0034722 k( 193) = ( 0.3570425 -0.2172794 -0.5969233), wk = 0.0034722 k( 194) = ( 0.3648043 -0.2220029 -0.6098999), wk = 0.0034722 k( 195) = ( 0.3725660 -0.2267263 -0.6228765), wk = 0.0034722 k( 196) = ( 0.6274340 0.0543040 -0.4261022), wk = 0.0034722 k( 197) = ( 0.6199378 0.0676408 -0.4261022), wk = 0.0034722 k( 198) = ( 0.6124417 0.0809777 -0.4261022), wk = 0.0034722 k( 199) = ( 0.6049456 0.0943145 -0.4261022), wk = 0.0034722 k( 200) = ( 0.5974495 0.1076514 -0.4261022), wk = 0.0034722 k( 201) = ( 0.5899534 0.1209882 -0.4261022), wk = 0.0034722 k( 202) = ( 0.5824573 0.1343251 -0.4261022), wk = 0.0034722 k( 203) = ( 0.5749612 0.1476619 -0.4261022), wk = 0.0034722 k( 204) = ( 0.5674650 0.1609987 -0.4261022), wk = 0.0034722 k( 205) = ( 0.5599689 0.1743356 -0.4261022), wk = 0.0034722 k( 206) = ( 0.5524728 0.1876724 -0.4261022), wk = 0.0034722 k( 207) = ( 0.5449767 0.2010093 -0.4261022), wk = 0.0034722 k( 208) = ( 0.5374806 0.2143461 -0.4261022), wk = 0.0034722 k( 209) = ( 0.5299845 0.2276829 -0.4261022), wk = 0.0034722 k( 210) = ( 0.5224883 0.2410198 -0.4261022), wk = 0.0034722 k( 211) = ( 0.5149922 0.2543566 -0.4261022), wk = 0.0034722 k( 212) = ( 0.5074961 0.2676935 -0.4261022), wk = 0.0034722 k( 213) = ( 0.5000000 0.2810303 -0.4261022), wk = 0.0034722 k( 214) = ( 0.5000000 0.2810303 -0.4261022), wk = 0.0034722 k( 215) = ( 0.5079646 0.2855069 -0.4138038), wk = 0.0034722 k( 216) = ( 0.5159292 0.2899835 -0.4015054), wk = 0.0034722 k( 217) = ( 0.5238939 0.2944601 -0.3892070), wk = 0.0034722 k( 218) = ( 0.5318585 0.2989367 -0.3769086), wk = 0.0034722 k( 219) = ( 0.5398231 0.3034133 -0.3646102), wk = 0.0034722 k( 220) = ( 0.5477877 0.3078899 -0.3523119), wk = 0.0034722 k( 221) = ( 0.5557524 0.3123665 -0.3400135), wk = 0.0034722 k( 222) = ( 0.5637170 0.3168431 -0.3277151), wk = 0.0034722 k( 223) = ( 0.5716816 0.3213197 -0.3154167), wk = 0.0034722 k( 224) = ( 0.5796462 0.3257963 -0.3031183), wk = 0.0034722 k( 225) = ( 0.5876108 0.3302729 -0.2908199), wk = 0.0034722 k( 226) = ( 0.5955755 0.3347495 -0.2785215), wk = 0.0034722 k( 227) = ( 0.6035401 0.3392261 -0.2662231), wk = 0.0034722 k( 228) = ( 0.6115047 0.3437027 -0.2539247), wk = 0.0034722 k( 229) = ( 0.6194693 0.3481793 -0.2416263), wk = 0.0034722 k( 230) = ( 0.6274340 0.3526559 -0.2293279), wk = 0.0034722 k( 231) = ( 0.6274340 0.3526559 -0.2293279), wk = 0.0034722 k( 232) = ( 0.6230397 0.3501861 -0.2146348), wk = 0.0034722 k( 233) = ( 0.6186454 0.3477162 -0.1999416), wk = 0.0034722 k( 234) = ( 0.6142511 0.3452464 -0.1852484), wk = 0.0034722 k( 235) = ( 0.6098569 0.3427765 -0.1705552), wk = 0.0034722 k( 236) = ( 0.6054626 0.3403067 -0.1558621), wk = 0.0034722 k( 237) = ( 0.6010683 0.3378368 -0.1411689), wk = 0.0034722 k( 238) = ( 0.5966740 0.3353670 -0.1264757), wk = 0.0034722 k( 239) = ( 0.5922798 0.3328971 -0.1117825), wk = 0.0034722 k( 240) = ( 0.5878855 0.3304273 -0.0970893), wk = 0.0034722 k( 241) = ( 0.5834912 0.3279574 -0.0823962), wk = 0.0034722 k( 242) = ( 0.5790969 0.3254876 -0.0677030), wk = 0.0034722 k( 243) = ( 0.5747027 0.3230178 -0.0530098), wk = 0.0034722 k( 244) = ( 0.5703084 0.3205479 -0.0383166), wk = 0.0034722 k( 245) = ( 0.5659141 0.3180781 -0.0236234), wk = 0.0034722 k( 246) = ( 0.5615198 0.3156082 -0.0089303), wk = 0.0034722 k( 247) = ( 0.5571256 0.3131384 0.0057629), wk = 0.0034722 k( 248) = ( 0.5527313 0.3106685 0.0204561), wk = 0.0034722 k( 249) = ( 0.5483370 0.3081987 0.0351493), wk = 0.0034722 k( 250) = ( 0.5439427 0.3057288 0.0498425), wk = 0.0034722 k( 251) = ( 0.5395485 0.3032590 0.0645356), wk = 0.0034722 k( 252) = ( 0.5351542 0.3007891 0.0792288), wk = 0.0034722 k( 253) = ( 0.5307599 0.2983193 0.0939220), wk = 0.0034722 k( 254) = ( 0.5263656 0.2958494 0.1086152), wk = 0.0034722 k( 255) = ( 0.5219714 0.2933796 0.1233084), wk = 0.0034722 k( 256) = ( 0.5175771 0.2909097 0.1380015), wk = 0.0034722 k( 257) = ( 0.5131828 0.2884399 0.1526947), wk = 0.0034722 k( 258) = ( 0.5087886 0.2859700 0.1673879), wk = 0.0034722 k( 259) = ( 0.5043943 0.2835002 0.1820811), wk = 0.0034722 k( 260) = ( 0.5000000 0.2810303 0.1967743), wk = 0.0034722 k( 261) = ( 0.5000000 -0.3042767 -0.2130511), wk = 0.0034722 k( 262) = ( 0.5094395 -0.2938682 -0.2057632), wk = 0.0034722 k( 263) = ( 0.5188791 -0.2834596 -0.1984752), wk = 0.0034722 k( 264) = ( 0.5283187 -0.2730511 -0.1911873), wk = 0.0034722 k( 265) = ( 0.5377582 -0.2626426 -0.1838994), wk = 0.0034722 k( 266) = ( 0.5471978 -0.2522340 -0.1766114), wk = 0.0034722 k( 267) = ( 0.5566373 -0.2418255 -0.1693235), wk = 0.0034722 k( 268) = ( 0.5660769 -0.2314170 -0.1620356), wk = 0.0034722 k( 269) = ( 0.5755164 -0.2210084 -0.1547476), wk = 0.0034722 k( 270) = ( 0.5849560 -0.2105999 -0.1474597), wk = 0.0034722 k( 271) = ( 0.5943955 -0.2001914 -0.1401717), wk = 0.0034722 k( 272) = ( 0.6038351 -0.1897829 -0.1328838), wk = 0.0034722 k( 273) = ( 0.6132746 -0.1793743 -0.1255959), wk = 0.0034722 k( 274) = ( 0.6227142 -0.1689658 -0.1183079), wk = 0.0034722 k( 275) = ( 0.6321537 -0.1585573 -0.1110200), wk = 0.0034722 k( 276) = ( 0.6415933 -0.1481487 -0.1037321), wk = 0.0034722 k( 277) = ( 0.6510328 -0.1377402 -0.0964441), wk = 0.0034722 k( 278) = ( 0.6604724 -0.1273317 -0.0891562), wk = 0.0034722 k( 279) = ( 0.6699119 -0.1169231 -0.0818683), wk = 0.0034722 k( 280) = ( 0.6793515 -0.1065146 -0.0745803), wk = 0.0034722 k( 281) = ( 0.6887910 -0.0961061 -0.0672924), wk = 0.0034722 k( 282) = ( 0.6982306 -0.0856976 -0.0600045), wk = 0.0034722 k( 283) = ( 0.7076701 -0.0752890 -0.0527165), wk = 0.0034722 k( 284) = ( 0.7171097 -0.0648805 -0.0454286), wk = 0.0034722 k( 285) = ( 0.7265492 -0.0544720 -0.0381407), wk = 0.0034722 k( 286) = ( 0.7359888 -0.0440634 -0.0308527), wk = 0.0034722 k( 287) = ( 0.7454283 -0.0336549 -0.0235648), wk = 0.0034722 k( 288) = ( 0.7548679 -0.0232464 -0.0162768), wk = 0.0034722 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 2) = ( 0.0128205 0.0000000 0.0000000), wk = 0.0034722 k( 3) = ( 0.0256410 -0.0000000 0.0000000), wk = 0.0034722 k( 4) = ( 0.0384615 -0.0000000 0.0000000), wk = 0.0034722 k( 5) = ( 0.0512821 -0.0000000 0.0000000), wk = 0.0034722 k( 6) = ( 0.0641026 0.0000000 0.0000000), wk = 0.0034722 k( 7) = ( 0.0769231 -0.0000000 0.0000000), wk = 0.0034722 k( 8) = ( 0.0897436 0.0000000 0.0000000), wk = 0.0034722 k( 9) = ( 0.1025641 -0.0000000 0.0000000), wk = 0.0034722 k( 10) = ( 0.1153846 0.0000000 0.0000000), wk = 0.0034722 k( 11) = ( 0.1282051 0.0000000 0.0000000), wk = 0.0034722 k( 12) = ( 0.1410256 -0.0000000 0.0000000), wk = 0.0034722 k( 13) = ( 0.1538461 -0.0000000 0.0000000), wk = 0.0034722 k( 14) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0034722 k( 15) = ( 0.1794872 0.0000000 0.0000000), wk = 0.0034722 k( 16) = ( 0.1923077 0.0000000 0.0000000), wk = 0.0034722 k( 17) = ( 0.2051282 -0.0000000 0.0000000), wk = 0.0034722 k( 18) = ( 0.2179487 -0.0000000 0.0000000), wk = 0.0034722 k( 19) = ( 0.2307692 -0.0000000 0.0000000), wk = 0.0034722 k( 20) = ( 0.2435897 -0.0000000 0.0000000), wk = 0.0034722 k( 21) = ( 0.2564103 0.0000000 0.0000000), wk = 0.0034722 k( 22) = ( 0.2692308 0.0000000 0.0000000), wk = 0.0034722 k( 23) = ( 0.2820513 -0.0000000 0.0000000), wk = 0.0034722 k( 24) = ( 0.2948718 0.0000000 0.0000000), wk = 0.0034722 k( 25) = ( 0.3076923 0.0000000 0.0000000), wk = 0.0034722 k( 26) = ( 0.3205128 0.0000000 0.0000000), wk = 0.0034722 k( 27) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0034722 k( 28) = ( 0.3461538 0.0000000 0.0000000), wk = 0.0034722 k( 29) = ( 0.3589744 0.0000000 0.0000000), wk = 0.0034722 k( 30) = ( 0.3717949 0.0000000 0.0000000), wk = 0.0034722 k( 31) = ( 0.3846154 0.0000000 0.0000000), wk = 0.0034722 k( 32) = ( 0.3974359 0.0000000 0.0000000), wk = 0.0034722 k( 33) = ( 0.4102564 0.0000000 0.0000000), wk = 0.0034722 k( 34) = ( 0.4230769 -0.0000000 0.0000000), wk = 0.0034722 k( 35) = ( 0.4358974 -0.0000000 0.0000000), wk = 0.0034722 k( 36) = ( 0.4487179 0.0000000 0.0000000), wk = 0.0034722 k( 37) = ( 0.4615385 -0.0000000 0.0000000), wk = 0.0034722 k( 38) = ( 0.4743590 0.0000000 0.0000000), wk = 0.0034722 k( 39) = ( 0.4871795 0.0000000 0.0000000), wk = 0.0034722 k( 40) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034722 k( 41) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034722 k( 42) = ( 0.5000000 0.0076604 -0.0076604), wk = 0.0034722 k( 43) = ( 0.5000000 0.0153208 -0.0153208), wk = 0.0034722 k( 44) = ( 0.5000000 0.0229811 -0.0229811), wk = 0.0034722 k( 45) = ( 0.5000000 0.0306415 -0.0306415), wk = 0.0034722 k( 46) = ( 0.5000000 0.0383019 -0.0383019), wk = 0.0034722 k( 47) = ( 0.5000000 0.0459623 -0.0459623), wk = 0.0034722 k( 48) = ( 0.5000000 0.0536227 -0.0536226), wk = 0.0034722 k( 49) = ( 0.5000000 0.0612830 -0.0612830), wk = 0.0034722 k( 50) = ( 0.5000000 0.0689434 -0.0689434), wk = 0.0034722 k( 51) = ( 0.5000000 0.0766038 -0.0766038), wk = 0.0034722 k( 52) = ( 0.5000000 0.0842642 -0.0842642), wk = 0.0034722 k( 53) = ( 0.5000000 0.0919245 -0.0919245), wk = 0.0034722 k( 54) = ( 0.5000000 0.0995849 -0.0995849), wk = 0.0034722 k( 55) = ( 0.5000000 0.1072453 -0.1072453), wk = 0.0034722 k( 56) = ( 0.5000000 0.1149057 -0.1149057), wk = 0.0034722 k( 57) = ( 0.5000000 0.1225660 -0.1225660), wk = 0.0034722 k( 58) = ( 0.5000000 0.1302264 -0.1302264), wk = 0.0034722 k( 59) = ( 0.5000000 0.1378868 -0.1378868), wk = 0.0034722 k( 60) = ( 0.5000000 0.1455472 -0.1455472), wk = 0.0034722 k( 61) = ( 0.5000000 0.1532076 -0.1532076), wk = 0.0034722 k( 62) = ( 0.5000000 0.1608679 -0.1608679), wk = 0.0034722 k( 63) = ( 0.5000000 0.1685283 -0.1685283), wk = 0.0034722 k( 64) = ( 0.5000000 0.1761887 -0.1761887), wk = 0.0034722 k( 65) = ( 0.5000000 0.1838491 -0.1838491), wk = 0.0034722 k( 66) = ( 0.5000000 0.1915095 -0.1915094), wk = 0.0034722 k( 67) = ( 0.5000000 0.1991698 -0.1991698), wk = 0.0034722 k( 68) = ( 0.5000000 0.2068302 -0.2068302), wk = 0.0034722 k( 69) = ( 0.5000000 0.2144906 -0.2144906), wk = 0.0034722 k( 70) = ( 0.5000000 0.2221510 -0.2221510), wk = 0.0034722 k( 71) = ( 0.5000000 0.2298113 -0.2298113), wk = 0.0034722 k( 72) = ( 0.5000000 0.2374717 -0.2374717), wk = 0.0034722 k( 73) = ( 0.5000000 0.2451321 -0.2451321), wk = 0.0034722 k( 74) = ( 0.7548679 0.5000000 0.2451321), wk = 0.0034722 k( 75) = ( 0.7471446 0.5000000 0.2528554), wk = 0.0034722 k( 76) = ( 0.7394214 0.5000000 0.2605786), wk = 0.0034722 k( 77) = ( 0.7316981 0.5000000 0.2683019), wk = 0.0034722 k( 78) = ( 0.7239748 0.5000000 0.2760252), wk = 0.0034722 k( 79) = ( 0.7162515 0.5000000 0.2837485), wk = 0.0034722 k( 80) = ( 0.7085283 0.5000000 0.2914717), wk = 0.0034722 k( 81) = ( 0.7008050 0.5000000 0.2991950), wk = 0.0034722 k( 82) = ( 0.6930817 0.5000000 0.3069183), wk = 0.0034722 k( 83) = ( 0.6853585 0.5000000 0.3146415), wk = 0.0034722 k( 84) = ( 0.6776352 0.5000000 0.3223648), wk = 0.0034722 k( 85) = ( 0.6699119 0.5000000 0.3300881), wk = 0.0034722 k( 86) = ( 0.6621887 0.5000000 0.3378113), wk = 0.0034722 k( 87) = ( 0.6544654 0.5000000 0.3455346), wk = 0.0034722 k( 88) = ( 0.6467421 0.5000000 0.3532579), wk = 0.0034722 k( 89) = ( 0.6390189 0.5000000 0.3609811), wk = 0.0034722 k( 90) = ( 0.6312956 0.5000000 0.3687044), wk = 0.0034722 k( 91) = ( 0.6235723 0.5000000 0.3764277), wk = 0.0034722 k( 92) = ( 0.6158491 0.5000000 0.3841509), wk = 0.0034722 k( 93) = ( 0.6081258 0.5000000 0.3918742), wk = 0.0034722 k( 94) = ( 0.6004025 0.5000000 0.3995975), wk = 0.0034722 k( 95) = ( 0.5926792 0.5000000 0.4073208), wk = 0.0034722 k( 96) = ( 0.5849560 0.5000000 0.4150440), wk = 0.0034722 k( 97) = ( 0.5772327 0.5000000 0.4227673), wk = 0.0034722 k( 98) = ( 0.5695094 0.5000000 0.4304906), wk = 0.0034722 k( 99) = ( 0.5617862 0.5000000 0.4382138), wk = 0.0034722 k( 100) = ( 0.5540629 0.5000000 0.4459371), wk = 0.0034722 k( 101) = ( 0.5463396 0.5000000 0.4536604), wk = 0.0034722 k( 102) = ( 0.5386163 0.5000000 0.4613836), wk = 0.0034722 k( 103) = ( 0.5308931 0.5000000 0.4691069), wk = 0.0034722 k( 104) = ( 0.5231698 0.5000000 0.4768302), wk = 0.0034722 k( 105) = ( 0.5154465 0.5000000 0.4845535), wk = 0.0034722 k( 106) = ( 0.5077233 0.5000000 0.4922767), wk = 0.0034722 k( 107) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034722 k( 108) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034722 k( 109) = ( 0.4868421 0.4868421 0.4868421), wk = 0.0034722 k( 110) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0034722 k( 111) = ( 0.4605263 0.4605263 0.4605263), wk = 0.0034722 k( 112) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0034722 k( 113) = ( 0.4342105 0.4342105 0.4342105), wk = 0.0034722 k( 114) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0034722 k( 115) = ( 0.4078947 0.4078947 0.4078947), wk = 0.0034722 k( 116) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0034722 k( 117) = ( 0.3815789 0.3815789 0.3815789), wk = 0.0034722 k( 118) = ( 0.3684211 0.3684211 0.3684211), wk = 0.0034722 k( 119) = ( 0.3552632 0.3552632 0.3552632), wk = 0.0034722 k( 120) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0034722 k( 121) = ( 0.3289474 0.3289474 0.3289474), wk = 0.0034722 k( 122) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0034722 k( 123) = ( 0.3026316 0.3026316 0.3026316), wk = 0.0034722 k( 124) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0034722 k( 125) = ( 0.2763158 0.2763158 0.2763158), wk = 0.0034722 k( 126) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0034722 k( 127) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034722 k( 128) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0034722 k( 129) = ( 0.2236842 0.2236842 0.2236842), wk = 0.0034722 k( 130) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0034722 k( 131) = ( 0.1973684 0.1973684 0.1973684), wk = 0.0034722 k( 132) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0034722 k( 133) = ( 0.1710526 0.1710526 0.1710526), wk = 0.0034722 k( 134) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0034722 k( 135) = ( 0.1447368 0.1447368 0.1447368), wk = 0.0034722 k( 136) = ( 0.1315790 0.1315790 0.1315790), wk = 0.0034722 k( 137) = ( 0.1184210 0.1184210 0.1184210), wk = 0.0034722 k( 138) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0034722 k( 139) = ( 0.0921053 0.0921053 0.0921053), wk = 0.0034722 k( 140) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0034722 k( 141) = ( 0.0657895 0.0657895 0.0657895), wk = 0.0034722 k( 142) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0034722 k( 143) = ( 0.0394737 0.0394737 0.0394737), wk = 0.0034722 k( 144) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0034722 k( 145) = ( 0.0131579 0.0131579 0.0131579), wk = 0.0034722 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 148) = ( 0.0077618 -0.0000000 -0.0077618), wk = 0.0034722 k( 149) = ( 0.0155236 -0.0000000 -0.0155236), wk = 0.0034722 k( 150) = ( 0.0232854 0.0000000 -0.0232854), wk = 0.0034722 k( 151) = ( 0.0310472 0.0000000 -0.0310472), wk = 0.0034722 k( 152) = ( 0.0388090 0.0000000 -0.0388090), wk = 0.0034722 k( 153) = ( 0.0465708 0.0000000 -0.0465708), wk = 0.0034722 k( 154) = ( 0.0543326 -0.0000000 -0.0543325), wk = 0.0034722 k( 155) = ( 0.0620943 0.0000000 -0.0620943), wk = 0.0034722 k( 156) = ( 0.0698561 0.0000000 -0.0698561), wk = 0.0034722 k( 157) = ( 0.0776179 0.0000000 -0.0776179), wk = 0.0034722 k( 158) = ( 0.0853797 0.0000000 -0.0853797), wk = 0.0034722 k( 159) = ( 0.0931415 -0.0000000 -0.0931415), wk = 0.0034722 k( 160) = ( 0.1009033 -0.0000000 -0.1009033), wk = 0.0034722 k( 161) = ( 0.1086651 -0.0000000 -0.1086651), wk = 0.0034722 k( 162) = ( 0.1164269 -0.0000000 -0.1164269), wk = 0.0034722 k( 163) = ( 0.1241887 0.0000000 -0.1241887), wk = 0.0034722 k( 164) = ( 0.1319505 0.0000000 -0.1319505), wk = 0.0034722 k( 165) = ( 0.1397123 0.0000000 -0.1397123), wk = 0.0034722 k( 166) = ( 0.1474741 -0.0000000 -0.1474741), wk = 0.0034722 k( 167) = ( 0.1552359 0.0000000 -0.1552358), wk = 0.0034722 k( 168) = ( 0.1629976 0.0000000 -0.1629976), wk = 0.0034722 k( 169) = ( 0.1707594 0.0000000 -0.1707594), wk = 0.0034722 k( 170) = ( 0.1785212 0.0000000 -0.1785212), wk = 0.0034722 k( 171) = ( 0.1862830 -0.0000000 -0.1862830), wk = 0.0034722 k( 172) = ( 0.1940448 -0.0000000 -0.1940448), wk = 0.0034722 k( 173) = ( 0.2018066 -0.0000000 -0.2018066), wk = 0.0034722 k( 174) = ( 0.2095684 -0.0000000 -0.2095684), wk = 0.0034722 k( 175) = ( 0.2173302 -0.0000000 -0.2173302), wk = 0.0034722 k( 176) = ( 0.2250920 0.0000000 -0.2250920), wk = 0.0034722 k( 177) = ( 0.2328538 -0.0000000 -0.2328538), wk = 0.0034722 k( 178) = ( 0.2406156 -0.0000000 -0.2406156), wk = 0.0034722 k( 179) = ( 0.2483774 -0.0000000 -0.2483774), wk = 0.0034722 k( 180) = ( 0.2561392 -0.0000000 -0.2561392), wk = 0.0034722 k( 181) = ( 0.2639010 -0.0000000 -0.2639010), wk = 0.0034722 k( 182) = ( 0.2716627 -0.0000000 -0.2716627), wk = 0.0034722 k( 183) = ( 0.2794245 0.0000000 -0.2794245), wk = 0.0034722 k( 184) = ( 0.2871863 0.0000000 -0.2871863), wk = 0.0034722 k( 185) = ( 0.2949481 -0.0000000 -0.2949481), wk = 0.0034722 k( 186) = ( 0.3027099 0.0000000 -0.3027099), wk = 0.0034722 k( 187) = ( 0.3104717 0.0000000 -0.3104717), wk = 0.0034722 k( 188) = ( 0.3182335 0.0000000 -0.3182335), wk = 0.0034722 k( 189) = ( 0.3259953 0.0000000 -0.3259953), wk = 0.0034722 k( 190) = ( 0.3337571 0.0000000 -0.3337571), wk = 0.0034722 k( 191) = ( 0.3415189 0.0000000 -0.3415189), wk = 0.0034722 k( 192) = ( 0.3492807 0.0000000 -0.3492807), wk = 0.0034722 k( 193) = ( 0.3570425 0.0000000 -0.3570425), wk = 0.0034722 k( 194) = ( 0.3648043 -0.0000000 -0.3648043), wk = 0.0034722 k( 195) = ( 0.3725660 -0.0000000 -0.3725660), wk = 0.0034722 k( 196) = ( 0.6274340 0.3725660 0.0000000), wk = 0.0034722 k( 197) = ( 0.6199378 0.3800622 0.0000000), wk = 0.0034722 k( 198) = ( 0.6124417 0.3875583 -0.0000000), wk = 0.0034722 k( 199) = ( 0.6049456 0.3950544 0.0000000), wk = 0.0034722 k( 200) = ( 0.5974495 0.4025505 0.0000000), wk = 0.0034722 k( 201) = ( 0.5899534 0.4100466 0.0000000), wk = 0.0034722 k( 202) = ( 0.5824573 0.4175427 0.0000000), wk = 0.0034722 k( 203) = ( 0.5749612 0.4250389 0.0000000), wk = 0.0034722 k( 204) = ( 0.5674650 0.4325350 0.0000000), wk = 0.0034722 k( 205) = ( 0.5599689 0.4400311 0.0000000), wk = 0.0034722 k( 206) = ( 0.5524728 0.4475272 0.0000000), wk = 0.0034722 k( 207) = ( 0.5449767 0.4550233 0.0000000), wk = 0.0034722 k( 208) = ( 0.5374806 0.4625194 0.0000000), wk = 0.0034722 k( 209) = ( 0.5299845 0.4700155 0.0000000), wk = 0.0034722 k( 210) = ( 0.5224883 0.4775117 0.0000000), wk = 0.0034722 k( 211) = ( 0.5149922 0.4850078 0.0000000), wk = 0.0034722 k( 212) = ( 0.5074961 0.4925039 0.0000000), wk = 0.0034722 k( 213) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034722 k( 214) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034722 k( 215) = ( 0.5079646 0.5079646 0.0153208), wk = 0.0034722 k( 216) = ( 0.5159292 0.5159292 0.0306415), wk = 0.0034722 k( 217) = ( 0.5238939 0.5238939 0.0459623), wk = 0.0034722 k( 218) = ( 0.5318585 0.5318585 0.0612830), wk = 0.0034722 k( 219) = ( 0.5398231 0.5398231 0.0766038), wk = 0.0034722 k( 220) = ( 0.5477877 0.5477877 0.0919245), wk = 0.0034722 k( 221) = ( 0.5557524 0.5557523 0.1072453), wk = 0.0034722 k( 222) = ( 0.5637170 0.5637170 0.1225661), wk = 0.0034722 k( 223) = ( 0.5716816 0.5716816 0.1378868), wk = 0.0034722 k( 224) = ( 0.5796462 0.5796462 0.1532076), wk = 0.0034722 k( 225) = ( 0.5876108 0.5876108 0.1685283), wk = 0.0034722 k( 226) = ( 0.5955755 0.5955755 0.1838491), wk = 0.0034722 k( 227) = ( 0.6035401 0.6035401 0.1991698), wk = 0.0034722 k( 228) = ( 0.6115047 0.6115047 0.2144906), wk = 0.0034722 k( 229) = ( 0.6194693 0.6194693 0.2298113), wk = 0.0034722 k( 230) = ( 0.6274340 0.6274340 0.2451321), wk = 0.0034722 k( 231) = ( 0.6274340 0.6274340 0.2451321), wk = 0.0034722 k( 232) = ( 0.6230397 0.6230397 0.2539207), wk = 0.0034722 k( 233) = ( 0.6186454 0.6186454 0.2627092), wk = 0.0034722 k( 234) = ( 0.6142511 0.6142511 0.2714977), wk = 0.0034722 k( 235) = ( 0.6098569 0.6098569 0.2802863), wk = 0.0034722 k( 236) = ( 0.6054626 0.6054626 0.2890748), wk = 0.0034722 k( 237) = ( 0.6010683 0.6010683 0.2978634), wk = 0.0034722 k( 238) = ( 0.5966740 0.5966740 0.3066519), wk = 0.0034722 k( 239) = ( 0.5922798 0.5922798 0.3154405), wk = 0.0034722 k( 240) = ( 0.5878855 0.5878855 0.3242290), wk = 0.0034722 k( 241) = ( 0.5834912 0.5834912 0.3330176), wk = 0.0034722 k( 242) = ( 0.5790969 0.5790969 0.3418061), wk = 0.0034722 k( 243) = ( 0.5747027 0.5747027 0.3505947), wk = 0.0034722 k( 244) = ( 0.5703084 0.5703084 0.3593832), wk = 0.0034722 k( 245) = ( 0.5659141 0.5659141 0.3681718), wk = 0.0034722 k( 246) = ( 0.5615198 0.5615198 0.3769603), wk = 0.0034722 k( 247) = ( 0.5571256 0.5571256 0.3857489), wk = 0.0034722 k( 248) = ( 0.5527313 0.5527313 0.3945374), wk = 0.0034722 k( 249) = ( 0.5483370 0.5483370 0.4033260), wk = 0.0034722 k( 250) = ( 0.5439427 0.5439427 0.4121145), wk = 0.0034722 k( 251) = ( 0.5395485 0.5395485 0.4209031), wk = 0.0034722 k( 252) = ( 0.5351542 0.5351542 0.4296916), wk = 0.0034722 k( 253) = ( 0.5307599 0.5307599 0.4384802), wk = 0.0034722 k( 254) = ( 0.5263656 0.5263656 0.4472687), wk = 0.0034722 k( 255) = ( 0.5219714 0.5219714 0.4560573), wk = 0.0034722 k( 256) = ( 0.5175771 0.5175771 0.4648458), wk = 0.0034722 k( 257) = ( 0.5131828 0.5131828 0.4736344), wk = 0.0034722 k( 258) = ( 0.5087886 0.5087886 0.4824229), wk = 0.0034722 k( 259) = ( 0.5043943 0.5043943 0.4912114), wk = 0.0034722 k( 260) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034722 k( 261) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034722 k( 262) = ( 0.5094395 0.0137987 0.0137987), wk = 0.0034722 k( 263) = ( 0.5188791 0.0275975 0.0275975), wk = 0.0034722 k( 264) = ( 0.5283187 0.0413962 0.0413962), wk = 0.0034722 k( 265) = ( 0.5377582 0.0551950 0.0551950), wk = 0.0034722 k( 266) = ( 0.5471978 0.0689937 0.0689937), wk = 0.0034722 k( 267) = ( 0.5566373 0.0827925 0.0827925), wk = 0.0034722 k( 268) = ( 0.5660769 0.0965912 0.0965912), wk = 0.0034722 k( 269) = ( 0.5755164 0.1103899 0.1103899), wk = 0.0034722 k( 270) = ( 0.5849560 0.1241887 0.1241887), wk = 0.0034722 k( 271) = ( 0.5943955 0.1379874 0.1379874), wk = 0.0034722 k( 272) = ( 0.6038351 0.1517862 0.1517862), wk = 0.0034722 k( 273) = ( 0.6132746 0.1655849 0.1655849), wk = 0.0034722 k( 274) = ( 0.6227142 0.1793837 0.1793837), wk = 0.0034722 k( 275) = ( 0.6321537 0.1931824 0.1931824), wk = 0.0034722 k( 276) = ( 0.6415933 0.2069811 0.2069811), wk = 0.0034722 k( 277) = ( 0.6510328 0.2207799 0.2207799), wk = 0.0034722 k( 278) = ( 0.6604724 0.2345786 0.2345786), wk = 0.0034722 k( 279) = ( 0.6699119 0.2483774 0.2483774), wk = 0.0034722 k( 280) = ( 0.6793515 0.2621761 0.2621761), wk = 0.0034722 k( 281) = ( 0.6887910 0.2759748 0.2759749), wk = 0.0034722 k( 282) = ( 0.6982306 0.2897736 0.2897736), wk = 0.0034722 k( 283) = ( 0.7076701 0.3035723 0.3035723), wk = 0.0034722 k( 284) = ( 0.7171097 0.3173711 0.3173711), wk = 0.0034722 k( 285) = ( 0.7265492 0.3311698 0.3311698), wk = 0.0034722 k( 286) = ( 0.7359888 0.3449686 0.3449686), wk = 0.0034722 k( 287) = ( 0.7454283 0.3587673 0.3587673), wk = 0.0034722 k( 288) = ( 0.7548679 0.3725660 0.3725660), wk = 0.0034722 Dense grid: 56043 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 28109 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 198, 58) NL pseudopotentials 0.23 Mb ( 99, 152) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1559) G-vector shells 0.01 Mb ( 1282) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.70 Mb ( 198, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.27 Mb ( 152, 2, 58) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./AlF3.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 5.6 secs Computing kpt #: 3 total cpu time spent up to now is 6.2 secs Computing kpt #: 4 total cpu time spent up to now is 6.7 secs Computing kpt #: 5 total cpu time spent up to now is 7.3 secs Computing kpt #: 6 total cpu time spent up to now is 7.8 secs Computing kpt #: 7 total cpu time spent up to now is 8.4 secs Computing kpt #: 8 total cpu time spent up to now is 8.9 secs Computing kpt #: 9 total cpu time spent up to now is 9.5 secs Computing kpt #: 10 total cpu time spent up to now is 10.1 secs Computing kpt #: 11 total cpu time spent up to now is 10.5 secs Computing kpt #: 12 total cpu time spent up to now is 11.0 secs Computing kpt #: 13 total cpu time spent up to now is 11.5 secs Computing kpt #: 14 total cpu time spent up to now is 11.9 secs Computing kpt #: 15 total cpu time spent up to now is 12.4 secs Computing kpt #: 16 total cpu time spent up to now is 12.8 secs Computing kpt #: 17 total cpu time spent up to now is 13.3 secs Computing kpt #: 18 total cpu time spent up to now is 13.8 secs Computing kpt #: 19 total cpu time spent up to now is 14.2 secs Computing kpt #: 20 total cpu time spent up to now is 14.7 secs Computing kpt #: 21 total cpu time spent up to now is 15.1 secs Computing kpt #: 22 total cpu time spent up to now is 15.6 secs Computing kpt #: 23 total cpu time spent up to now is 16.1 secs Computing kpt #: 24 total cpu time spent up to now is 16.6 secs Computing kpt #: 25 total cpu time spent up to now is 17.0 secs Computing kpt #: 26 total cpu time spent up to now is 17.5 secs Computing kpt #: 27 total cpu time spent up to now is 18.0 secs Computing kpt #: 28 total cpu time spent up to now is 18.4 secs Computing kpt #: 29 total cpu time spent up to now is 18.9 secs Computing kpt #: 30 total cpu time spent up to now is 19.4 secs Computing kpt #: 31 total cpu time spent up to now is 19.8 secs Computing kpt #: 32 total cpu time spent up to now is 20.3 secs Computing kpt #: 33 total cpu time spent up to now is 20.8 secs Computing kpt #: 34 total cpu time spent up to now is 21.3 secs Computing kpt #: 35 total cpu time spent up to now is 21.7 secs Computing kpt #: 36 total cpu time spent up to now is 22.3 secs Computing kpt #: 37 total cpu time spent up to now is 22.7 secs Computing kpt #: 38 total cpu time spent up to now is 23.2 secs Computing kpt #: 39 total cpu time spent up to now is 23.8 secs Computing kpt #: 40 total cpu time spent up to now is 24.3 secs Computing kpt #: 41 total cpu time spent up to now is 24.8 secs Computing kpt #: 42 total cpu time spent up to now is 25.5 secs Computing kpt #: 43 total cpu time spent up to now is 26.1 secs Computing kpt #: 44 total cpu time spent up to now is 26.8 secs Computing kpt #: 45 total cpu time spent up to now is 27.4 secs Computing kpt #: 46 total cpu time spent up to now is 28.1 secs Computing kpt #: 47 total cpu time spent up to now is 28.7 secs Computing kpt #: 48 total cpu time spent up to now is 29.4 secs Computing kpt #: 49 total cpu time spent up to now is 30.0 secs Computing kpt #: 50 total cpu time spent up to now is 30.6 secs Computing kpt #: 51 total cpu time spent up to now is 31.2 secs Computing kpt #: 52 total cpu time spent up to now is 31.8 secs Computing kpt #: 53 total cpu time spent up to now is 32.5 secs Computing kpt #: 54 total cpu time spent up to now is 33.3 secs Computing kpt #: 55 total cpu time spent up to now is 33.9 secs Computing kpt #: 56 total cpu time spent up to now is 34.5 secs Computing kpt #: 57 total cpu time spent up to now is 35.1 secs Computing kpt #: 58 total cpu time spent up to now is 35.7 secs Computing kpt #: 59 total cpu time spent up to now is 36.3 secs Computing kpt #: 60 total cpu time spent up to now is 36.9 secs Computing kpt #: 61 total cpu time spent up to now is 37.5 secs Computing kpt #: 62 total cpu time spent up to now is 38.1 secs Computing kpt #: 63 total cpu time spent up to now is 38.7 secs Computing kpt #: 64 total cpu time spent up to now is 39.3 secs Computing kpt #: 65 total cpu time spent up to now is 39.9 secs Computing kpt #: 66 total cpu time spent up to now is 40.5 secs Computing kpt #: 67 total cpu time spent up to now is 41.1 secs Computing kpt #: 68 total cpu time spent up to now is 41.7 secs Computing kpt #: 69 total cpu time spent up to now is 42.3 secs Computing kpt #: 70 total cpu time spent up to now is 42.9 secs Computing kpt #: 71 total cpu time spent up to now is 43.7 secs Computing kpt #: 72 total cpu time spent up to now is 44.2 secs Computing kpt #: 73 total cpu time spent up to now is 44.8 secs Computing kpt #: 74 total cpu time spent up to now is 45.4 secs Computing kpt #: 75 total cpu time spent up to now is 46.1 secs Computing kpt #: 76 total cpu time spent up to now is 46.7 secs Computing kpt #: 77 total cpu time spent up to now is 47.3 secs Computing kpt #: 78 total cpu time spent up to now is 47.9 secs Computing kpt #: 79 total cpu time spent up to now is 48.4 secs Computing kpt #: 80 total cpu time spent up to now is 49.0 secs Computing kpt #: 81 total cpu time spent up to now is 49.6 secs Computing kpt #: 82 total cpu time spent up to now is 50.2 secs Computing kpt #: 83 total cpu time spent up to now is 50.8 secs Computing kpt #: 84 total cpu time spent up to now is 51.4 secs Computing kpt #: 85 total cpu time spent up to now is 52.1 secs Computing kpt #: 86 total cpu time spent up to now is 52.7 secs Computing kpt #: 87 total cpu time spent up to now is 53.3 secs Computing kpt #: 88 total cpu time spent up to now is 53.9 secs Computing kpt #: 89 total cpu time spent up to now is 54.5 secs Computing kpt #: 90 total cpu time spent up to now is 55.1 secs Computing kpt #: 91 total cpu time spent up to now is 55.7 secs Computing kpt #: 92 total cpu time spent up to now is 56.3 secs Computing kpt #: 93 total cpu time spent up to now is 56.9 secs Computing kpt #: 94 total cpu time spent up to now is 57.5 secs Computing kpt #: 95 total cpu time spent up to now is 58.2 secs Computing kpt #: 96 total cpu time spent up to now is 58.8 secs Computing kpt #: 97 total cpu time spent up to now is 59.4 secs Computing kpt #: 98 total cpu time spent up to now is 60.0 secs Computing kpt #: 99 total cpu time spent up to now is 60.7 secs Computing kpt #: 100 total cpu time spent up to now is 61.3 secs Computing kpt #: 101 total cpu time spent up to now is 61.9 secs Computing kpt #: 102 total cpu time spent up to now is 62.5 secs Computing kpt #: 103 total cpu time spent up to now is 63.2 secs Computing kpt #: 104 total cpu time spent up to now is 63.8 secs Computing kpt #: 105 total cpu time spent up to now is 64.4 secs Computing kpt #: 106 total cpu time spent up to now is 65.0 secs Computing kpt #: 107 total cpu time spent up to now is 65.4 secs Computing kpt #: 108 total cpu time spent up to now is 65.9 secs Computing kpt #: 109 total cpu time spent up to now is 66.5 secs Computing kpt #: 110 total cpu time spent up to now is 67.2 secs Computing kpt #: 111 total cpu time spent up to now is 67.8 secs Computing kpt #: 112 total cpu time spent up to now is 68.4 secs Computing kpt #: 113 total cpu time spent up to now is 69.1 secs Computing kpt #: 114 total cpu time spent up to now is 69.7 secs Computing kpt #: 115 total cpu time spent up to now is 70.4 secs Computing kpt #: 116 total cpu time spent up to now is 71.0 secs Computing kpt #: 117 total cpu time spent up to now is 71.6 secs Computing kpt #: 118 total cpu time spent up to now is 72.2 secs Computing kpt #: 119 total cpu time spent up to now is 72.8 secs Computing kpt #: 120 total cpu time spent up to now is 73.4 secs Computing kpt #: 121 total cpu time spent up to now is 74.0 secs Computing kpt #: 122 total cpu time spent up to now is 74.5 secs Computing kpt #: 123 total cpu time spent up to now is 75.1 secs Computing kpt #: 124 total cpu time spent up to now is 75.7 secs Computing kpt #: 125 total cpu time spent up to now is 76.3 secs Computing kpt #: 126 total cpu time spent up to now is 76.8 secs Computing kpt #: 127 total cpu time spent up to now is 77.3 secs Computing kpt #: 128 total cpu time spent up to now is 77.8 secs Computing kpt #: 129 total cpu time spent up to now is 78.3 secs Computing kpt #: 130 total cpu time spent up to now is 78.8 secs Computing kpt #: 131 total cpu time spent up to now is 79.3 secs Computing kpt #: 132 total cpu time spent up to now is 79.7 secs Computing kpt #: 133 total cpu time spent up to now is 80.2 secs Computing kpt #: 134 total cpu time spent up to now is 80.7 secs Computing kpt #: 135 total cpu time spent up to now is 81.1 secs Computing kpt #: 136 total cpu time spent up to now is 81.6 secs Computing kpt #: 137 total cpu time spent up to now is 82.1 secs Computing kpt #: 138 total cpu time spent up to now is 82.5 secs Computing kpt #: 139 total cpu time spent up to now is 83.0 secs Computing kpt #: 140 total cpu time spent up to now is 83.5 secs Computing kpt #: 141 total cpu time spent up to now is 83.9 secs Computing kpt #: 142 total cpu time spent up to now is 84.4 secs Computing kpt #: 143 total cpu time spent up to now is 85.0 secs Computing kpt #: 144 total cpu time spent up to now is 85.5 secs Computing kpt #: 145 total cpu time spent up to now is 86.1 secs Computing kpt #: 146 total cpu time spent up to now is 86.6 secs Computing kpt #: 147 total cpu time spent up to now is 87.2 secs Computing kpt #: 148 total cpu time spent up to now is 87.7 secs Computing kpt #: 149 total cpu time spent up to now is 88.3 secs Computing kpt #: 150 total cpu time spent up to now is 88.8 secs Computing kpt #: 151 total cpu time spent up to now is 89.4 secs Computing kpt #: 152 total cpu time spent up to now is 89.9 secs Computing kpt #: 153 total cpu time spent up to now is 90.5 secs Computing kpt #: 154 total cpu time spent up to now is 91.0 secs Computing kpt #: 155 total cpu time spent up to now is 91.5 secs Computing kpt #: 156 total cpu time spent up to now is 92.0 secs Computing kpt #: 157 total cpu time spent up to now is 92.5 secs Computing kpt #: 158 total cpu time spent up to now is 93.0 secs Computing kpt #: 159 total cpu time spent up to now is 93.5 secs Computing kpt #: 160 total cpu time spent up to now is 94.0 secs Computing kpt #: 161 total cpu time spent up to now is 94.4 secs Computing kpt #: 162 total cpu time spent up to now is 94.9 secs Computing kpt #: 163 total cpu time spent up to now is 95.4 secs Computing kpt #: 164 total cpu time spent up to now is 95.9 secs Computing kpt #: 165 total cpu time spent up to now is 96.4 secs Computing kpt #: 166 total cpu time spent up to now is 96.9 secs Computing kpt #: 167 total cpu time spent up to now is 97.3 secs Computing kpt #: 168 total cpu time spent up to now is 97.8 secs Computing kpt #: 169 total cpu time spent up to now is 98.3 secs Computing kpt #: 170 total cpu time spent up to now is 98.7 secs Computing kpt #: 171 total cpu time spent up to now is 99.2 secs Computing kpt #: 172 total cpu time spent up to now is 99.6 secs Computing kpt #: 173 total cpu time spent up to now is 100.1 secs Computing kpt #: 174 total cpu time spent up to now is 100.6 secs Computing kpt #: 175 total cpu time spent up to now is 101.0 secs Computing kpt #: 176 total cpu time spent up to now is 101.5 secs Computing kpt #: 177 total cpu time spent up to now is 102.0 secs Computing kpt #: 178 total cpu time spent up to now is 102.5 secs Computing kpt #: 179 total cpu time spent up to now is 103.0 secs Computing kpt #: 180 total cpu time spent up to now is 103.5 secs Computing kpt #: 181 total cpu time spent up to now is 104.1 secs Computing kpt #: 182 total cpu time spent up to now is 104.5 secs Computing kpt #: 183 total cpu time spent up to now is 105.0 secs Computing kpt #: 184 total cpu time spent up to now is 105.4 secs Computing kpt #: 185 total cpu time spent up to now is 105.9 secs Computing kpt #: 186 total cpu time spent up to now is 106.3 secs Computing kpt #: 187 total cpu time spent up to now is 106.7 secs Computing kpt #: 188 total cpu time spent up to now is 107.2 secs Computing kpt #: 189 total cpu time spent up to now is 107.6 secs Computing kpt #: 190 total cpu time spent up to now is 108.1 secs Computing kpt #: 191 total cpu time spent up to now is 108.5 secs Computing kpt #: 192 total cpu time spent up to now is 108.9 secs Computing kpt #: 193 total cpu time spent up to now is 109.4 secs Computing kpt #: 194 total cpu time spent up to now is 109.8 secs Computing kpt #: 195 total cpu time spent up to now is 110.3 secs Computing kpt #: 196 total cpu time spent up to now is 110.7 secs Computing kpt #: 197 total cpu time spent up to now is 111.2 secs Computing kpt #: 198 total cpu time spent up to now is 111.6 secs Computing kpt #: 199 total cpu time spent up to now is 112.1 secs Computing kpt #: 200 total cpu time spent up to now is 112.5 secs Computing kpt #: 201 total cpu time spent up to now is 113.0 secs Computing kpt #: 202 total cpu time spent up to now is 113.4 secs Computing kpt #: 203 total cpu time spent up to now is 113.8 secs Computing kpt #: 204 total cpu time spent up to now is 114.3 secs Computing kpt #: 205 total cpu time spent up to now is 114.7 secs Computing kpt #: 206 total cpu time spent up to now is 115.2 secs Computing kpt #: 207 total cpu time spent up to now is 115.7 secs Computing kpt #: 208 total cpu time spent up to now is 116.1 secs Computing kpt #: 209 total cpu time spent up to now is 116.6 secs Computing kpt #: 210 total cpu time spent up to now is 117.1 secs Computing kpt #: 211 total cpu time spent up to now is 117.6 secs Computing kpt #: 212 total cpu time spent up to now is 118.0 secs Computing kpt #: 213 total cpu time spent up to now is 118.6 secs Computing kpt #: 214 total cpu time spent up to now is 119.2 secs Computing kpt #: 215 total cpu time spent up to now is 119.7 secs Computing kpt #: 216 total cpu time spent up to now is 120.2 secs Computing kpt #: 217 total cpu time spent up to now is 120.7 secs Computing kpt #: 218 total cpu time spent up to now is 121.1 secs Computing kpt #: 219 total cpu time spent up to now is 121.6 secs Computing kpt #: 220 total cpu time spent up to now is 122.1 secs Computing kpt #: 221 total cpu time spent up to now is 122.5 secs Computing kpt #: 222 total cpu time spent up to now is 122.9 secs Computing kpt #: 223 total cpu time spent up to now is 123.4 secs Computing kpt #: 224 total cpu time spent up to now is 123.8 secs Computing kpt #: 225 total cpu time spent up to now is 124.3 secs Computing kpt #: 226 total cpu time spent up to now is 124.7 secs Computing kpt #: 227 total cpu time spent up to now is 125.2 secs Computing kpt #: 228 total cpu time spent up to now is 125.6 secs Computing kpt #: 229 total cpu time spent up to now is 126.0 secs Computing kpt #: 230 total cpu time spent up to now is 126.5 secs Computing kpt #: 231 total cpu time spent up to now is 126.9 secs Computing kpt #: 232 total cpu time spent up to now is 127.3 secs Computing kpt #: 233 total cpu time spent up to now is 127.8 secs Computing kpt #: 234 total cpu time spent up to now is 128.2 secs Computing kpt #: 235 total cpu time spent up to now is 128.7 secs Computing kpt #: 236 total cpu time spent up to now is 129.1 secs Computing kpt #: 237 total cpu time spent up to now is 129.6 secs Computing kpt #: 238 total cpu time spent up to now is 130.0 secs Computing kpt #: 239 total cpu time spent up to now is 130.4 secs Computing kpt #: 240 total cpu time spent up to now is 130.9 secs Computing kpt #: 241 total cpu time spent up to now is 131.3 secs Computing kpt #: 242 total cpu time spent up to now is 131.8 secs Computing kpt #: 243 total cpu time spent up to now is 132.2 secs Computing kpt #: 244 total cpu time spent up to now is 132.7 secs Computing kpt #: 245 total cpu time spent up to now is 134.5 secs Computing kpt #: 246 total cpu time spent up to now is 135.0 secs Computing kpt #: 247 total cpu time spent up to now is 135.5 secs Computing kpt #: 248 total cpu time spent up to now is 136.0 secs Computing kpt #: 249 total cpu time spent up to now is 136.5 secs Computing kpt #: 250 total cpu time spent up to now is 137.0 secs Computing kpt #: 251 total cpu time spent up to now is 137.5 secs Computing kpt #: 252 total cpu time spent up to now is 138.0 secs Computing kpt #: 253 total cpu time spent up to now is 138.5 secs Computing kpt #: 254 total cpu time spent up to now is 139.1 secs Computing kpt #: 255 total cpu time spent up to now is 139.7 secs Computing kpt #: 256 total cpu time spent up to now is 140.3 secs Computing kpt #: 257 total cpu time spent up to now is 140.9 secs Computing kpt #: 258 total cpu time spent up to now is 141.5 secs Computing kpt #: 259 total cpu time spent up to now is 142.1 secs Computing kpt #: 260 total cpu time spent up to now is 142.5 secs Computing kpt #: 261 total cpu time spent up to now is 143.0 secs Computing kpt #: 262 total cpu time spent up to now is 143.6 secs Computing kpt #: 263 total cpu time spent up to now is 144.1 secs Computing kpt #: 264 total cpu time spent up to now is 144.6 secs Computing kpt #: 265 total cpu time spent up to now is 145.1 secs Computing kpt #: 266 total cpu time spent up to now is 145.5 secs Computing kpt #: 267 total cpu time spent up to now is 146.0 secs Computing kpt #: 268 total cpu time spent up to now is 146.5 secs Computing kpt #: 269 total cpu time spent up to now is 146.9 secs Computing kpt #: 270 total cpu time spent up to now is 147.4 secs Computing kpt #: 271 total cpu time spent up to now is 147.9 secs Computing kpt #: 272 total cpu time spent up to now is 148.3 secs Computing kpt #: 273 total cpu time spent up to now is 148.8 secs Computing kpt #: 274 total cpu time spent up to now is 149.2 secs Computing kpt #: 275 total cpu time spent up to now is 149.7 secs Computing kpt #: 276 total cpu time spent up to now is 150.2 secs Computing kpt #: 277 total cpu time spent up to now is 150.6 secs Computing kpt #: 278 total cpu time spent up to now is 151.1 secs Computing kpt #: 279 total cpu time spent up to now is 151.5 secs Computing kpt #: 280 total cpu time spent up to now is 152.0 secs Computing kpt #: 281 total cpu time spent up to now is 152.4 secs Computing kpt #: 282 total cpu time spent up to now is 152.9 secs Computing kpt #: 283 total cpu time spent up to now is 153.3 secs Computing kpt #: 284 total cpu time spent up to now is 153.7 secs Computing kpt #: 285 total cpu time spent up to now is 154.2 secs Computing kpt #: 286 total cpu time spent up to now is 154.6 secs Computing kpt #: 287 total cpu time spent up to now is 155.1 secs Computing kpt #: 288 total cpu time spent up to now is 155.5 secs ethr = 2.08E-08, avg # of iterations = 20.2 total cpu time spent up to now is 155.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3539 PWs) bands (ev): -20.8604 -20.8604 -19.6496 -19.6496 -19.6363 -19.6363 -19.6349 -19.6349 -19.2608 -19.2608 -19.2607 -19.2607 -5.9244 -5.9244 -3.6199 -3.6199 -3.6127 -3.6127 -3.4491 -3.4491 -2.1342 -2.1342 -2.0677 -2.0677 -2.0461 -2.0461 -1.4139 -1.4139 -1.4100 -1.4100 -0.1414 -0.1414 0.1791 0.1791 0.1897 0.1897 0.3087 0.3087 0.3571 0.3571 0.3729 0.3729 0.5859 0.5859 0.9316 0.9316 0.9543 0.9543 9.0118 9.0118 14.1867 14.1867 14.1894 14.1894 15.1960 15.1960 15.3286 15.3286 k = 0.0128-0.0078-0.0055 ( 3539 PWs) bands (ev): -20.8599 -20.8599 -19.6496 -19.6496 -19.6366 -19.6366 -19.6351 -19.6351 -19.2610 -19.2610 -19.2609 -19.2609 -5.9233 -5.9233 -3.6198 -3.6198 -3.6125 -3.6125 -3.4487 -3.4487 -2.1334 -2.1334 -2.0671 -2.0671 -2.0454 -2.0454 -1.4146 -1.4146 -1.4107 -1.4107 -0.1417 -0.1417 0.1788 0.1788 0.1895 0.1895 0.3076 0.3076 0.3556 0.3556 0.3723 0.3723 0.5865 0.5865 0.9312 0.9312 0.9539 0.9539 9.0146 9.0146 14.1863 14.1863 14.1905 14.1905 15.1963 15.1963 15.3279 15.3279 k = 0.0256-0.0156-0.0109 ( 3535 PWs) bands (ev): -20.8586 -20.8586 -19.6494 -19.6494 -19.6376 -19.6376 -19.6350 -19.6350 -19.2615 -19.2615 -19.2614 -19.2614 -5.9201 -5.9201 -3.6204 -3.6204 -3.6111 -3.6111 -3.4475 -3.4475 -2.1310 -2.1310 -2.0653 -2.0653 -2.0434 -2.0434 -1.4167 -1.4167 -1.4128 -1.4128 -0.1423 -0.1423 0.1775 0.1775 0.1889 0.1889 0.3038 0.3038 0.3513 0.3513 0.3706 0.3706 0.5882 0.5882 0.9302 0.9302 0.9529 0.9529 9.0228 9.0228 14.1851 14.1851 14.1939 14.1939 15.1970 15.1970 15.3223 15.3223 k = 0.0385-0.0234-0.0164 ( 3533 PWs) bands (ev): -20.8564 -20.8564 -19.6495 -19.6495 -19.6396 -19.6396 -19.6344 -19.6344 -19.2624 -19.2624 -19.2622 -19.2622 -5.9148 -5.9148 -3.6227 -3.6227 -3.6075 -3.6075 -3.4453 -3.4453 -2.1271 -2.1271 -2.0624 -2.0624 -2.0398 -2.0398 -1.4202 -1.4202 -1.4163 -1.4163 -0.1435 -0.1435 0.1746 0.1746 0.1887 0.1887 0.2967 0.2967 0.3449 0.3449 0.3683 0.3683 0.5907 0.5907 0.9286 0.9286 0.9512 0.9512 9.0365 9.0365 14.1833 14.1833 14.1994 14.1994 15.1966 15.1966 15.3099 15.3099 k = 0.0513-0.0312-0.0219 ( 3525 PWs) bands (ev): -20.8533 -20.8533 -19.6504 -19.6504 -19.6415 -19.6415 -19.6336 -19.6336 -19.2636 -19.2636 -19.2634 -19.2634 -5.9073 -5.9073 -3.6268 -3.6268 -3.6017 -3.6017 -3.4421 -3.4421 -2.1217 -2.1217 -2.0588 -2.0588 -2.0344 -2.0344 -1.4252 -1.4252 -1.4212 -1.4212 -0.1452 -0.1452 0.1694 0.1694 0.1893 0.1893 0.2855 0.2855 0.3376 0.3376 0.3656 0.3656 0.5937 0.5937 0.9262 0.9262 0.9489 0.9489 9.0555 9.0555 14.1809 14.1809 14.2070 14.2070 15.1922 15.1922 15.2952 15.2952 k = 0.0641-0.0390-0.0273 ( 3528 PWs) bands (ev): -20.8493 -20.8493 -19.6534 -19.6534 -19.6423 -19.6423 -19.6325 -19.6325 -19.2651 -19.2651 -19.2649 -19.2649 -5.8978 -5.8978 -3.6325 -3.6325 -3.5940 -3.5940 -3.4378 -3.4378 -2.1147 -2.1147 -2.0546 -2.0546 -2.0270 -2.0270 -1.4315 -1.4315 -1.4275 -1.4275 -0.1475 -0.1475 0.1617 0.1617 0.1906 0.1906 0.2696 0.2696 0.3306 0.3306 0.3627 0.3627 0.5970 0.5970 0.9232 0.9232 0.9459 0.9459 9.0799 9.0799 14.1783 14.1783 14.2165 14.2165 15.1779 15.1779 15.2849 15.2849 k = 0.0769-0.0468-0.0328 ( 3526 PWs) bands (ev): -20.8445 -20.8445 -19.6585 -19.6585 -19.6416 -19.6416 -19.6311 -19.6311 -19.2670 -19.2670 -19.2667 -19.2667 -5.8861 -5.8861 -3.6399 -3.6399 -3.5845 -3.5845 -3.4323 -3.4323 -2.1063 -2.1063 -2.0500 -2.0500 -2.0175 -2.0175 -1.4392 -1.4392 -1.4351 -1.4351 -0.1504 -0.1504 0.1516 0.1516 0.1921 0.1921 0.2492 0.2492 0.3244 0.3244 0.3596 0.3596 0.6002 0.6002 0.9194 0.9194 0.9423 0.9423 9.1095 9.1095 14.1756 14.1756 14.2277 14.2277 15.1501 15.1501 15.2839 15.2839 k = 0.0897-0.0546-0.0382 ( 3531 PWs) bands (ev): -20.8387 -20.8387 -19.6653 -19.6653 -19.6402 -19.6402 -19.6294 -19.6294 -19.2692 -19.2692 -19.2688 -19.2688 -5.8724 -5.8724 -3.6489 -3.6489 -3.5733 -3.5733 -3.4256 -3.4256 -2.0966 -2.0966 -2.0449 -2.0449 -2.0059 -2.0059 -1.4482 -1.4482 -1.4441 -1.4441 -0.1541 -0.1541 0.1388 0.1388 0.1925 0.1925 0.2265 0.2265 0.3190 0.3190 0.3566 0.3566 0.6032 0.6032 0.9149 0.9149 0.9380 0.9380 9.1443 9.1443 14.1731 14.1731 14.2404 14.2404 15.1104 15.1104 15.2912 15.2912 k = 0.1026-0.0624-0.0437 ( 3528 PWs) bands (ev): -20.8322 -20.8322 -19.6733 -19.6733 -19.6383 -19.6383 -19.6275 -19.6275 -19.2718 -19.2718 -19.2713 -19.2713 -5.8567 -5.8567 -3.6596 -3.6596 -3.5603 -3.5603 -3.4174 -3.4174 -2.0857 -2.0857 -2.0392 -2.0392 -1.9923 -1.9923 -1.4586 -1.4586 -1.4543 -1.4543 -0.1586 -0.1586 0.1230 0.1230 0.1842 0.1842 0.2099 0.2099 0.3142 0.3142 0.3536 0.3536 0.6056 0.6056 0.9097 0.9097 0.9332 0.9332 9.1839 9.1839 14.1711 14.1711 14.2541 14.2541 15.0622 15.0622 15.3043 15.3043 k = 0.1154-0.0702-0.0492 ( 3534 PWs) bands (ev): -20.8247 -20.8247 -19.6825 -19.6825 -19.6361 -19.6361 -19.6254 -19.6254 -19.2746 -19.2746 -19.2741 -19.2741 -5.8390 -5.8390 -3.6720 -3.6720 -3.5457 -3.5457 -3.4079 -3.4079 -2.0738 -2.0738 -2.0327 -2.0327 -1.9769 -1.9769 -1.4703 -1.4703 -1.4657 -1.4657 -0.1640 -0.1640 0.1036 0.1036 0.1593 0.1593 0.2083 0.2083 0.3099 0.3099 0.3510 0.3510 0.6076 0.6076 0.9036 0.9036 0.9278 0.9278 9.2285 9.2285 14.1698 14.1698 14.2683 14.2683 15.0081 15.0081 15.3215 15.3215 k = 0.1282-0.0780-0.0546 ( 3538 PWs) bands (ev): -20.8165 -20.8165 -19.6927 -19.6927 -19.6335 -19.6335 -19.6230 -19.6230 -19.2778 -19.2778 -19.2772 -19.2772 -5.8193 -5.8193 -3.6861 -3.6861 -3.5295 -3.5295 -3.3970 -3.3970 -2.0612 -2.0612 -2.0250 -2.0250 -1.9598 -1.9598 -1.4832 -1.4832 -1.4783 -1.4783 -0.1704 -0.1704 0.0794 0.0794 0.1298 0.1298 0.2112 0.2112 0.3061 0.3061 0.3486 0.3486 0.6089 0.6089 0.8968 0.8968 0.9219 0.9219 9.2777 9.2777 14.1695 14.1695 14.2822 14.2822 14.9501 14.9501 15.3421 15.3421 k = 0.1410-0.0858-0.0601 ( 3540 PWs) bands (ev): -20.8074 -20.8074 -19.7040 -19.7040 -19.6306 -19.6306 -19.6203 -19.6203 -19.2813 -19.2813 -19.2806 -19.2806 -5.7977 -5.7977 -3.7018 -3.7018 -3.5116 -3.5116 -3.3847 -3.3847 -2.0483 -2.0483 -2.0160 -2.0160 -1.9411 -1.9411 -1.4973 -1.4973 -1.4918 -1.4918 -0.1779 -0.1779 0.0494 0.0494 0.1004 0.1004 0.2155 0.2155 0.3027 0.3027 0.3467 0.3467 0.6096 0.6096 0.8892 0.8892 0.9154 0.9154 9.3314 9.3314 14.1703 14.1703 14.2947 14.2947 14.8900 14.8900 15.3655 15.3655 k = 0.1538-0.0936-0.0656 ( 3543 PWs) bands (ev): -20.7974 -20.7974 -19.7162 -19.7162 -19.6274 -19.6274 -19.6174 -19.6174 -19.2851 -19.2851 -19.2843 -19.2843 -5.7742 -5.7742 -3.7193 -3.7193 -3.4921 -3.4921 -3.3709 -3.3709 -2.0357 -2.0357 -2.0051 -2.0051 -1.9211 -1.9211 -1.5124 -1.5124 -1.5061 -1.5061 -0.1866 -0.1866 0.0134 0.0134 0.0722 0.0722 0.2204 0.2204 0.2999 0.2999 0.3453 0.3453 0.6096 0.6096 0.8809 0.8809 0.9084 0.9084 9.3894 9.3894 14.1725 14.1725 14.3041 14.3041 14.8299 14.8299 15.3917 15.3917 k = 0.1667-0.1014-0.0710 ( 3539 PWs) bands (ev): -20.7867 -20.7867 -19.7294 -19.7294 -19.6240 -19.6240 -19.6143 -19.6143 -19.2892 -19.2892 -19.2883 -19.2883 -5.7488 -5.7488 -3.7383 -3.7383 -3.4711 -3.4711 -3.3557 -3.3557 -2.0236 -2.0236 -1.9922 -1.9922 -1.8999 -1.8999 -1.5285 -1.5285 -1.5210 -1.5210 -0.1967 -0.1967 -0.0274 -0.0274 0.0445 0.0445 0.2258 0.2258 0.2977 0.2977 0.3444 0.3444 0.6088 0.6088 0.8718 0.8718 0.9009 0.9009 9.4516 9.4516 14.1762 14.1762 14.3076 14.3076 14.7730 14.7730 15.4205 15.4205 k = 0.1795-0.1092-0.0765 ( 3534 PWs) bands (ev): -20.7752 -20.7752 -19.7435 -19.7435 -19.6203 -19.6203 -19.6109 -19.6109 -19.2935 -19.2935 -19.2925 -19.2925 -5.7217 -5.7217 -3.7589 -3.7589 -3.4485 -3.4485 -3.3391 -3.3391 -2.0121 -2.0121 -1.9776 -1.9776 -1.8780 -1.8780 -1.5453 -1.5453 -1.5361 -1.5361 -0.2081 -0.2081 -0.0718 -0.0718 0.0165 0.0165 0.2316 0.2316 0.2962 0.2962 0.3441 0.3441 0.6075 0.6075 0.8621 0.8621 0.8929 0.8929 9.5178 9.5178 14.1816 14.1816 14.3014 14.3014 14.7232 14.7232 15.4518 15.4518 k = 0.1923-0.1170-0.0819 ( 3525 PWs) bands (ev): -20.7628 -20.7628 -19.7585 -19.7585 -19.6163 -19.6163 -19.6073 -19.6073 -19.2982 -19.2982 -19.2970 -19.2970 -5.6928 -5.6928 -3.7811 -3.7811 -3.4245 -3.4245 -3.3212 -3.3212 -2.0008 -2.0008 -1.9620 -1.9620 -1.8558 -1.8558 -1.5623 -1.5623 -1.5510 -1.5510 -0.2210 -0.2210 -0.1189 -0.1189 -0.0124 -0.0124 0.2376 0.2376 0.2954 0.2954 0.3442 0.3442 0.6054 0.6054 0.8517 0.8517 0.8844 0.8844 9.5877 9.5877 14.1887 14.1887 14.2809 14.2809 14.6853 14.6853 15.4856 15.4856 k = 0.2051-0.1248-0.0874 ( 3521 PWs) bands (ev): -20.7497 -20.7497 -19.7744 -19.7744 -19.6121 -19.6121 -19.6035 -19.6035 -19.3031 -19.3031 -19.3018 -19.3018 -5.6623 -5.6623 -3.8048 -3.8048 -3.3990 -3.3990 -3.3020 -3.3020 -1.9896 -1.9896 -1.9462 -1.9462 -1.8340 -1.8340 -1.5790 -1.5790 -1.5651 -1.5651 -0.2354 -0.2354 -0.1680 -0.1680 -0.0423 -0.0423 0.2439 0.2439 0.2957 0.2957 0.3448 0.3448 0.6028 0.6028 0.8406 0.8406 0.8754 0.8754 9.6612 9.6612 14.1975 14.1975 14.2431 14.2431 14.6624 14.6624 15.5218 15.5218 k = 0.2179-0.1326-0.0929 ( 3523 PWs) bands (ev): -20.7358 -20.7358 -19.7910 -19.7910 -19.6077 -19.6077 -19.5994 -19.5994 -19.3082 -19.3082 -19.3069 -19.3069 -5.6301 -5.6301 -3.8299 -3.8299 -3.3722 -3.3722 -3.2814 -3.2814 -1.9782 -1.9782 -1.9312 -1.9312 -1.8140 -1.8140 -1.5941 -1.5941 -1.5774 -1.5774 -0.2519 -0.2519 -0.2185 -0.2185 -0.0734 -0.0734 0.2502 0.2502 0.2970 0.2970 0.3459 0.3459 0.5995 0.5995 0.8290 0.8290 0.8659 0.8659 9.7381 9.7381 14.1880 14.1880 14.2084 14.2084 14.6541 14.6541 15.5602 15.5602 k = 0.2308-0.1404-0.0983 ( 3518 PWs) bands (ev): -20.7213 -20.7213 -19.8085 -19.8085 -19.6030 -19.6030 -19.5951 -19.5951 -19.3136 -19.3136 -19.3121 -19.3121 -5.5964 -5.5964 -3.8565 -3.8565 -3.3440 -3.3440 -3.2596 -3.2596 -1.9668 -1.9668 -1.9178 -1.9178 -1.7979 -1.7979 -1.6056 -1.6056 -1.5869 -1.5869 -0.2770 -0.2770 -0.2631 -0.2631 -0.1057 -0.1057 0.2564 0.2564 0.2995 0.2995 0.3474 0.3474 0.5956 0.5956 0.8169 0.8169 0.8559 0.8559 9.8182 9.8182 14.1197 14.1197 14.2209 14.2209 14.6570 14.6570 15.6009 15.6009 k = 0.2436-0.1482-0.1038 ( 3519 PWs) bands (ev): -20.7059 -20.7059 -19.8267 -19.8267 -19.5981 -19.5981 -19.5906 -19.5906 -19.3192 -19.3192 -19.3177 -19.3177 -5.5612 -5.5612 -3.8845 -3.8845 -3.3146 -3.3146 -3.2366 -3.2366 -1.9558 -1.9558 -1.9068 -1.9068 -1.7888 -1.7888 -1.6107 -1.6107 -1.5919 -1.5919 -0.3271 -0.3271 -0.2854 -0.2854 -0.1391 -0.1391 0.2624 0.2624 0.3034 0.3034 0.3492 0.3492 0.5913 0.5913 0.8044 0.8044 0.8455 0.8455 9.9013 9.9013 14.0413 14.0413 14.2353 14.2353 14.6674 14.6674 15.6438 15.6438 k = 0.2564-0.1560-0.1093 ( 3515 PWs) bands (ev): -20.6899 -20.6899 -19.8456 -19.8456 -19.5930 -19.5930 -19.5859 -19.5859 -19.3250 -19.3250 -19.3234 -19.3234 -5.5247 -5.5247 -3.9138 -3.9138 -3.2839 -3.2839 -3.2123 -3.2123 -1.9464 -1.9464 -1.8982 -1.8982 -1.7895 -1.7895 -1.6077 -1.6077 -1.5905 -1.5905 -0.3813 -0.3813 -0.3061 -0.3061 -0.1736 -0.1736 0.2682 0.2682 0.3086 0.3086 0.3515 0.3515 0.5864 0.5864 0.7915 0.7915 0.8346 0.8346 9.9873 9.9873 13.9559 13.9559 14.2516 14.2516 14.6822 14.6822 15.6888 15.6888 k = 0.2692-0.1638-0.1147 ( 3511 PWs) bands (ev): -20.6732 -20.6732 -19.8652 -19.8652 -19.5876 -19.5876 -19.5810 -19.5810 -19.3311 -19.3311 -19.3293 -19.3293 -5.4868 -5.4868 -3.9444 -3.9444 -3.2521 -3.2521 -3.1869 -3.1869 -1.9413 -1.9413 -1.8904 -1.8904 -1.8001 -1.8001 -1.5980 -1.5980 -1.5799 -1.5799 -0.4364 -0.4364 -0.3278 -0.3278 -0.2092 -0.2092 0.2738 0.2738 0.3151 0.3151 0.3542 0.3542 0.5811 0.5811 0.7783 0.7783 0.8234 0.8234 10.0759 10.0759 13.8655 13.8655 14.2697 14.2697 14.6995 14.6995 15.7358 15.7358 k = 0.2821-0.1716-0.1202 ( 3519 PWs) bands (ev): -20.6559 -20.6559 -19.8854 -19.8854 -19.5821 -19.5821 -19.5759 -19.5759 -19.3373 -19.3373 -19.3355 -19.3355 -5.4476 -5.4476 -3.9763 -3.9763 -3.2192 -3.2192 -3.1604 -3.1604 -1.9435 -1.9435 -1.8804 -1.8804 -1.8183 -1.8183 -1.5838 -1.5838 -1.5599 -1.5599 -0.4921 -0.4921 -0.3509 -0.3509 -0.2457 -0.2457 0.2792 0.2792 0.3228 0.3228 0.3571 0.3571 0.5754 0.5754 0.7648 0.7648 0.8117 0.8117 10.1669 10.1669 13.7712 13.7712 14.2895 14.2895 14.7178 14.7178 15.7846 15.7846 k = 0.2949-0.1794-0.1256 ( 3521 PWs) bands (ev): -20.6379 -20.6379 -19.9062 -19.9062 -19.5764 -19.5764 -19.5706 -19.5706 -19.3437 -19.3437 -19.3418 -19.3418 -5.4073 -5.4073 -4.0095 -4.0095 -3.1853 -3.1853 -3.1328 -3.1328 -1.9539 -1.9539 -1.8679 -1.8679 -1.8410 -1.8410 -1.5653 -1.5653 -1.5333 -1.5333 -0.5482 -0.5482 -0.3753 -0.3753 -0.2832 -0.2832 0.2845 0.2845 0.3314 0.3314 0.3604 0.3604 0.5694 0.5694 0.7511 0.7511 0.7997 0.7997 10.2603 10.2603 13.6738 13.6738 14.3110 14.3110 14.7362 14.7362 15.8352 15.8352 k = 0.3077-0.1872-0.1311 ( 3521 PWs) bands (ev): -20.6193 -20.6193 -19.9276 -19.9276 -19.5705 -19.5705 -19.5652 -19.5652 -19.3502 -19.3502 -19.3483 -19.3483 -5.3658 -5.3658 -4.0438 -4.0438 -3.1505 -3.1505 -3.1042 -3.1042 -1.9709 -1.9709 -1.8732 -1.8732 -1.8464 -1.8464 -1.5422 -1.5422 -1.5028 -1.5028 -0.6043 -0.6043 -0.4009 -0.4009 -0.3215 -0.3215 0.2900 0.2900 0.3407 0.3407 0.3640 0.3640 0.5631 0.5631 0.7374 0.7374 0.7874 0.7874 10.3558 10.3558 13.5741 13.5741 14.3339 14.3339 14.7540 14.7540 15.8873 15.8873 k = 0.3205-0.1950-0.1366 ( 3522 PWs) bands (ev): -20.6001 -20.6001 -19.9494 -19.9494 -19.5644 -19.5644 -19.5595 -19.5595 -19.3569 -19.3569 -19.3549 -19.3549 -5.3234 -5.3234 -4.0794 -4.0794 -3.1148 -3.1148 -3.0746 -3.0746 -1.9928 -1.9928 -1.9020 -1.9020 -1.8288 -1.8288 -1.5153 -1.5153 -1.4698 -1.4698 -0.6602 -0.6602 -0.4278 -0.4278 -0.3606 -0.3606 0.2956 0.2956 0.3506 0.3506 0.3680 0.3680 0.5565 0.5565 0.7236 0.7236 0.7748 0.7748 10.4533 10.4533 13.4724 13.4724 14.3583 14.3583 14.7706 14.7706 15.9407 15.9407 k = 0.3333-0.2029-0.1420 ( 3527 PWs) bands (ev): -20.5803 -20.5803 -19.9718 -19.9718 -19.5581 -19.5581 -19.5537 -19.5537 -19.3637 -19.3637 -19.3617 -19.3617 -5.2800 -5.2800 -4.1160 -4.1160 -3.0784 -3.0784 -3.0442 -3.0442 -2.0184 -2.0184 -1.9340 -1.9340 -1.8082 -1.8082 -1.4852 -1.4852 -1.4352 -1.4352 -0.7158 -0.7158 -0.4558 -0.4558 -0.4005 -0.4005 0.3014 0.3014 0.3605 0.3605 0.3726 0.3726 0.5499 0.5499 0.7099 0.7099 0.7619 0.7619 10.5526 10.5526 13.3690 13.3690 14.3840 14.3840 14.7855 14.7855 15.9954 15.9954 k = 0.3462-0.2107-0.1475 ( 3531 PWs) bands (ev): -20.5600 -20.5600 -19.9945 -19.9945 -19.5518 -19.5518 -19.5478 -19.5478 -19.3707 -19.3707 -19.3686 -19.3686 -5.2358 -5.2358 -4.1538 -4.1538 -3.0415 -3.0415 -3.0129 -3.0129 -2.0467 -2.0467 -1.9676 -1.9676 -1.7856 -1.7856 -1.4525 -1.4525 -1.3995 -1.3995 -0.7707 -0.7707 -0.4850 -0.4850 -0.4411 -0.4411 0.3074 0.3074 0.3696 0.3696 0.3785 0.3785 0.5431 0.5431 0.6964 0.6964 0.7489 0.7489 10.6536 10.6536 13.2641 13.2641 14.4107 14.4107 14.7985 14.7985 16.0511 16.0511 k = 0.3590-0.2185-0.1530 ( 3533 PWs) bands (ev): -20.5391 -20.5391 -20.0176 -20.0176 -19.5452 -19.5452 -19.5417 -19.5417 -19.3777 -19.3777 -19.3757 -19.3757 -5.1909 -5.1909 -4.1925 -4.1925 -3.0041 -3.0041 -2.9809 -2.9809 -2.0769 -2.0769 -2.0026 -2.0026 -1.7614 -1.7614 -1.4176 -1.4176 -1.3632 -1.3632 -0.8247 -0.8247 -0.5153 -0.5153 -0.4822 -0.4822 0.3137 0.3137 0.3762 0.3762 0.3873 0.3873 0.5364 0.5364 0.6832 0.6832 0.7357 0.7357 10.7561 10.7561 13.1581 13.1581 14.4384 14.4384 14.8091 14.8091 16.1076 16.1076 k = 0.3718-0.2263-0.1584 ( 3533 PWs) bands (ev): -20.5178 -20.5178 -20.0411 -20.0411 -19.5386 -19.5386 -19.5354 -19.5354 -19.3847 -19.3847 -19.3827 -19.3827 -5.1453 -5.1453 -4.2323 -4.2323 -2.9665 -2.9665 -2.9483 -2.9483 -2.1085 -2.1085 -2.0384 -2.0384 -1.7357 -1.7357 -1.3810 -1.3810 -1.3268 -1.3268 -0.8774 -0.8774 -0.5466 -0.5466 -0.5239 -0.5239 0.3201 0.3201 0.3811 0.3811 0.3980 0.3980 0.5298 0.5298 0.6703 0.6703 0.7224 0.7224 10.8600 10.8600 13.0509 13.0509 14.4668 14.4668 14.8172 14.8172 16.1645 16.1645 k = 0.3846-0.2341-0.1639 ( 3535 PWs) bands (ev): -20.4961 -20.4961 -20.0648 -20.0648 -19.5319 -19.5319 -19.5291 -19.5291 -19.3918 -19.3918 -19.3899 -19.3899 -5.0992 -5.0992 -4.2731 -4.2731 -2.9290 -2.9290 -2.9151 -2.9151 -2.1410 -2.1410 -2.0749 -2.0749 -1.7084 -1.7084 -1.3428 -1.3428 -1.2910 -1.2910 -0.9282 -0.9282 -0.5792 -0.5792 -0.5659 -0.5659 0.3268 0.3268 0.3853 0.3853 0.4093 0.4093 0.5234 0.5234 0.6580 0.6580 0.7090 0.7090 10.9651 10.9651 12.9428 12.9428 14.4958 14.4958 14.8226 14.8226 16.2217 16.2217 k = 0.3974-0.2419-0.1693 ( 3535 PWs) bands (ev): -20.4739 -20.4739 -20.0888 -20.0888 -19.5251 -19.5251 -19.5227 -19.5227 -19.3990 -19.3990 -19.3971 -19.3971 -5.0526 -5.0526 -4.3147 -4.3147 -2.8919 -2.8919 -2.8813 -2.8813 -2.1738 -2.1738 -2.1119 -2.1119 -1.6795 -1.6795 -1.3035 -1.3035 -1.2570 -1.2570 -0.9758 -0.9758 -0.6139 -0.6139 -0.6071 -0.6071 0.3335 0.3335 0.3890 0.3890 0.4207 0.4207 0.5174 0.5174 0.6463 0.6463 0.6957 0.6957 11.0714 11.0714 12.8340 12.8340 14.5250 14.5250 14.8250 14.8250 16.2788 16.2788 k = 0.4103-0.2497-0.1748 ( 3535 PWs) bands (ev): -20.4513 -20.4513 -20.1131 -20.1131 -19.5183 -19.5183 -19.5162 -19.5162 -19.4061 -19.4061 -19.4043 -19.4043 -5.0056 -5.0056 -4.3572 -4.3572 -2.8561 -2.8561 -2.8469 -2.8469 -2.2066 -2.2066 -2.1488 -2.1488 -1.6492 -1.6492 -1.2631 -1.2631 -1.2276 -1.2276 -1.0176 -1.0176 -0.6541 -0.6541 -0.6441 -0.6441 0.3404 0.3404 0.3921 0.3921 0.4321 0.4321 0.5119 0.5119 0.6355 0.6355 0.6825 0.6825 11.1786 11.1786 12.7245 12.7245 14.5543 14.5543 14.8244 14.8244 16.3355 16.3355 k = 0.4231-0.2575-0.1803 ( 3535 PWs) bands (ev): -20.4284 -20.4284 -20.1374 -20.1374 -19.5114 -19.5114 -19.5098 -19.5098 -19.4131 -19.4131 -19.4114 -19.4114 -4.9583 -4.9583 -4.4005 -4.4005 -2.8218 -2.8218 -2.8124 -2.8124 -2.2387 -2.2387 -2.1854 -2.1854 -1.6173 -1.6173 -1.2218 -1.2218 -1.2093 -1.2093 -1.0469 -1.0469 -0.6971 -0.6971 -0.6795 -0.6795 0.3473 0.3473 0.3945 0.3945 0.4432 0.4432 0.5071 0.5071 0.6257 0.6257 0.6695 0.6695 11.2868 11.2868 12.6144 12.6144 14.5834 14.5834 14.8208 14.8208 16.3913 16.3913 k = 0.4359-0.2653-0.1857 ( 3525 PWs) bands (ev): -20.4051 -20.4051 -20.1619 -20.1619 -19.5047 -19.5047 -19.5034 -19.5034 -19.4200 -19.4200 -19.4184 -19.4184 -4.9108 -4.9108 -4.4446 -4.4446 -2.7893 -2.7893 -2.7787 -2.7787 -2.2692 -2.2692 -2.2210 -2.2210 -1.5839 -1.5839 -1.2126 -1.2126 -1.1797 -1.1797 -1.0533 -1.0533 -0.7407 -0.7407 -0.7151 -0.7151 0.3542 0.3542 0.3959 0.3959 0.4538 0.4538 0.5031 0.5031 0.6174 0.6174 0.6570 0.6570 11.3957 11.3957 12.5039 12.5039 14.6121 14.6121 14.8142 14.8142 16.4458 16.4458 k = 0.4487-0.2731-0.1912 ( 3529 PWs) bands (ev): -20.3815 -20.3815 -20.1865 -20.1865 -19.4982 -19.4982 -19.4971 -19.4971 -19.4266 -19.4266 -19.4252 -19.4252 -4.8632 -4.8632 -4.4893 -4.4893 -2.7590 -2.7590 -2.7474 -2.7474 -2.2971 -2.2971 -2.2551 -2.2551 -1.5490 -1.5490 -1.2378 -1.2378 -1.1371 -1.1371 -1.0365 -1.0365 -0.7847 -0.7847 -0.7513 -0.7513 0.3610 0.3610 0.3961 0.3961 0.4635 0.4635 0.4999 0.4999 0.6107 0.6107 0.6450 0.6450 11.5053 11.5053 12.3930 12.3930 14.6400 14.6400 14.8046 14.8046 16.4981 16.4981 k = 0.4615-0.2809-0.1967 ( 3527 PWs) bands (ev): -20.3577 -20.3577 -20.2112 -20.2112 -19.4921 -19.4921 -19.4912 -19.4912 -19.4327 -19.4327 -19.4315 -19.4315 -4.8157 -4.8157 -4.5346 -4.5346 -2.7315 -2.7315 -2.7200 -2.7200 -2.3208 -2.3208 -2.2863 -2.2863 -1.5127 -1.5127 -1.2740 -1.2740 -1.0939 -1.0939 -1.0076 -1.0076 -0.8289 -0.8289 -0.7880 -0.7880 0.3676 0.3676 0.3951 0.3951 0.4721 0.4721 0.4973 0.4973 0.6062 0.6062 0.6338 0.6338 11.6154 11.6154 12.2819 12.2819 14.6669 14.6669 14.7921 14.7921 16.5474 16.5474 k = 0.4744-0.2887-0.2021 ( 3521 PWs) bands (ev): -20.3336 -20.3336 -20.2358 -20.2358 -19.4867 -19.4867 -19.4861 -19.4861 -19.4379 -19.4379 -19.4370 -19.4370 -4.7681 -4.7681 -4.5805 -4.5805 -2.7084 -2.7084 -2.6989 -2.6989 -2.3383 -2.3383 -2.3133 -2.3133 -1.4750 -1.4750 -1.3141 -1.3141 -1.0503 -1.0503 -0.9737 -0.9737 -0.8731 -0.8731 -0.8251 -0.8251 0.3739 0.3739 0.3929 0.3929 0.4793 0.4793 0.4951 0.4951 0.6043 0.6043 0.6238 0.6238 11.7260 11.7260 12.1706 12.1706 14.6926 14.6926 14.7768 14.7768 16.5927 16.5927 k = 0.4872-0.2965-0.2076 ( 3521 PWs) bands (ev): -20.3093 -20.3093 -20.2604 -20.2604 -19.4828 -19.4828 -19.4825 -19.4825 -19.4416 -19.4416 -19.4411 -19.4411 -4.7208 -4.7208 -4.6269 -4.6269 -2.6918 -2.6918 -2.6862 -2.6862 -2.3471 -2.3471 -2.3339 -2.3339 -1.4361 -1.4361 -1.3552 -1.3552 -1.0065 -1.0065 -0.9389 -0.9389 -0.9160 -0.9160 -0.8624 -0.8624 0.3798 0.3798 0.3895 0.3895 0.4851 0.4851 0.4926 0.4926 0.6053 0.6053 0.6154 0.6154 11.8369 11.8369 12.0593 12.0593 14.7166 14.7166 14.7590 14.7590 16.6324 16.6324 k = 0.5000-0.3043-0.2131 ( 3516 PWs) bands (ev): -20.2849 -20.2849 -20.2849 -20.2849 -19.4812 -19.4812 -19.4812 -19.4812 -19.4429 -19.4429 -19.4429 -19.4429 -4.6737 -4.6737 -4.6737 -4.6737 -2.6838 -2.6838 -2.6838 -2.6838 -2.3457 -2.3457 -2.3457 -2.3457 -1.3960 -1.3960 -1.3960 -1.3960 -0.9626 -0.9626 -0.9626 -0.9626 -0.8994 -0.8994 -0.8994 -0.8994 0.3850 0.3850 0.3850 0.3850 0.4895 0.4895 0.4895 0.4895 0.6090 0.6090 0.6090 0.6090 11.9480 11.9480 11.9480 11.9480 14.7389 14.7389 14.7389 14.7389 16.6649 16.6649 k = 0.5000-0.3043-0.2131 ( 3516 PWs) bands (ev): -20.2849 -20.2849 -20.2849 -20.2849 -19.4812 -19.4812 -19.4812 -19.4812 -19.4429 -19.4429 -19.4429 -19.4429 -4.6737 -4.6737 -4.6737 -4.6737 -2.6838 -2.6838 -2.6838 -2.6838 -2.3457 -2.3457 -2.3457 -2.3457 -1.3960 -1.3960 -1.3960 -1.3960 -0.9626 -0.9626 -0.9626 -0.9626 -0.8994 -0.8994 -0.8994 -0.8994 0.3850 0.3850 0.3850 0.3850 0.4895 0.4895 0.4895 0.4895 0.6090 0.6090 0.6090 0.6090 11.9480 11.9480 11.9480 11.9480 14.7389 14.7389 14.7389 14.7389 16.6649 16.6649 k = 0.5000-0.2953-0.2259 ( 3518 PWs) bands (ev): -20.2847 -20.2847 -20.2847 -20.2847 -19.4826 -19.4826 -19.4826 -19.4826 -19.4418 -19.4418 -19.4418 -19.4418 -4.6730 -4.6730 -4.6729 -4.6729 -2.6849 -2.6849 -2.6842 -2.6842 -2.3458 -2.3458 -2.3447 -2.3447 -1.3980 -1.3980 -1.3976 -1.3976 -0.9647 -0.9647 -0.9640 -0.9640 -0.8958 -0.8958 -0.8947 -0.8947 0.3828 0.3828 0.3843 0.3843 0.4888 0.4888 0.4906 0.4906 0.6086 0.6086 0.6087 0.6087 11.9495 11.9495 11.9496 11.9496 14.7379 14.7379 14.7379 14.7379 16.6577 16.6578 k = 0.5000-0.2863-0.2387 ( 3524 PWs) bands (ev): -20.2839 -20.2839 -20.2839 -20.2839 -19.4864 -19.4864 -19.4863 -19.4863 -19.4389 -19.4389 -19.4389 -19.4389 -4.6708 -4.6708 -4.6707 -4.6707 -2.6873 -2.6873 -2.6860 -2.6860 -2.3450 -2.3450 -2.3429 -2.3429 -1.4034 -1.4034 -1.4025 -1.4025 -0.9687 -0.9687 -0.9677 -0.9677 -0.8848 -0.8848 -0.8829 -0.8829 0.3778 0.3778 0.3805 0.3805 0.4885 0.4885 0.4921 0.4921 0.6073 0.6073 0.6077 0.6077 11.9540 11.9540 11.9541 11.9541 14.7350 14.7350 14.7350 14.7350 16.6379 16.6379 k = 0.5000-0.2774-0.2515 ( 3524 PWs) bands (ev): -20.2827 -20.2827 -20.2827 -20.2827 -19.4918 -19.4918 -19.4917 -19.4917 -19.4350 -19.4350 -19.4349 -19.4349 -4.6671 -4.6671 -4.6670 -4.6670 -2.6911 -2.6911 -2.6891 -2.6891 -2.3434 -2.3434 -2.3402 -2.3402 -1.4119 -1.4119 -1.4106 -1.4106 -0.9729 -0.9729 -0.9718 -0.9718 -0.8687 -0.8687 -0.8663 -0.8663 0.3702 0.3702 0.3740 0.3740 0.4885 0.4885 0.4936 0.4936 0.6054 0.6054 0.6060 0.6060 11.9614 11.9614 11.9616 11.9616 14.7300 14.7300 14.7301 14.7301 16.6088 16.6088 k = 0.5000-0.2684-0.2643 ( 3520 PWs) bands (ev): -20.2809 -20.2809 -20.2809 -20.2809 -19.4983 -19.4983 -19.4983 -19.4983 -19.4305 -19.4305 -19.4305 -19.4305 -4.6619 -4.6619 -4.6618 -4.6618 -2.6963 -2.6963 -2.6937 -2.6937 -2.3410 -2.3410 -2.3368 -2.3368 -1.4232 -1.4232 -1.4215 -1.4215 -0.9759 -0.9759 -0.9749 -0.9749 -0.8491 -0.8491 -0.8465 -0.8465 0.3603 0.3603 0.3649 0.3649 0.4883 0.4883 0.4948 0.4948 0.6029 0.6029 0.6038 0.6038 11.9719 11.9719 11.9722 11.9722 14.7229 14.7229 14.7230 14.7230 16.5737 16.5737 k = 0.5000-0.2594-0.2771 ( 3524 PWs) bands (ev): -20.2787 -20.2787 -20.2787 -20.2787 -19.5056 -19.5056 -19.5055 -19.5055 -19.4258 -19.4258 -19.4258 -19.4258 -4.6554 -4.6554 -4.6552 -4.6552 -2.7027 -2.7027 -2.6995 -2.6995 -2.3378 -2.3378 -2.3327 -2.3327 -1.4370 -1.4370 -1.4349 -1.4349 -0.9775 -0.9775 -0.9766 -0.9766 -0.8269 -0.8269 -0.8241 -0.8241 0.3484 0.3484 0.3536 0.3536 0.4875 0.4875 0.4951 0.4951 0.6001 0.6001 0.6012 0.6012 11.9853 11.9853 11.9856 11.9856 14.7136 14.7136 14.7137 14.7137 16.5354 16.5354 k = 0.5000-0.2505-0.2899 ( 3522 PWs) bands (ev): -20.2760 -20.2760 -20.2760 -20.2760 -19.5135 -19.5135 -19.5134 -19.5134 -19.4212 -19.4212 -19.4211 -19.4211 -4.6474 -4.6474 -4.6472 -4.6472 -2.7103 -2.7103 -2.7067 -2.7067 -2.3338 -2.3338 -2.3278 -2.3278 -1.4527 -1.4527 -1.4503 -1.4503 -0.9774 -0.9774 -0.9768 -0.9768 -0.8028 -0.8028 -0.7998 -0.7998 0.3346 0.3346 0.3403 0.3403 0.4856 0.4856 0.4943 0.4943 0.5971 0.5971 0.5985 0.5985 12.0017 12.0017 12.0021 12.0021 14.7018 14.7018 14.7020 14.7020 16.4960 16.4960 k = 0.5000-0.2415-0.3027 ( 3522 PWs) bands (ev): -20.2729 -20.2729 -20.2728 -20.2728 -19.5218 -19.5218 -19.5217 -19.5217 -19.4166 -19.4166 -19.4166 -19.4166 -4.6381 -4.6381 -4.6379 -4.6379 -2.7190 -2.7190 -2.7150 -2.7150 -2.3291 -2.3291 -2.3223 -2.3223 -1.4700 -1.4700 -1.4673 -1.4673 -0.9758 -0.9758 -0.9754 -0.9754 -0.7771 -0.7771 -0.7740 -0.7740 0.3192 0.3192 0.3251 0.3251 0.4824 0.4824 0.4920 0.4920 0.5942 0.5942 0.5960 0.5960 12.0210 12.0210 12.0214 12.0214 14.6874 14.6874 14.6876 14.6876 16.4570 16.4571 k = 0.5000-0.2325-0.3155 ( 3528 PWs) bands (ev): -20.2692 -20.2692 -20.2692 -20.2692 -19.5305 -19.5305 -19.5303 -19.5303 -19.4121 -19.4121 -19.4121 -19.4121 -4.6276 -4.6276 -4.6273 -4.6273 -2.7289 -2.7289 -2.7245 -2.7245 -2.3237 -2.3237 -2.3162 -2.3162 -1.4885 -1.4885 -1.4855 -1.4855 -0.9727 -0.9727 -0.9725 -0.9725 -0.7501 -0.7501 -0.7469 -0.7469 0.3022 0.3022 0.3083 0.3083 0.4777 0.4777 0.4879 0.4879 0.5917 0.5917 0.5937 0.5937 12.0431 12.0431 12.0436 12.0436 14.6702 14.6702 14.6704 14.6704 16.4196 16.4196 k = 0.5000-0.2236-0.3283 ( 3530 PWs) bands (ev): -20.2652 -20.2652 -20.2652 -20.2652 -19.5395 -19.5395 -19.5394 -19.5394 -19.4079 -19.4079 -19.4079 -19.4079 -4.6158 -4.6158 -4.6154 -4.6154 -2.7397 -2.7397 -2.7351 -2.7351 -2.3177 -2.3177 -2.3096 -2.3096 -1.5077 -1.5077 -1.5045 -1.5045 -0.9683 -0.9683 -0.9682 -0.9682 -0.7222 -0.7222 -0.7189 -0.7189 0.2838 0.2838 0.2900 0.2900 0.4711 0.4711 0.4819 0.4819 0.5896 0.5896 0.5919 0.5919 12.0681 12.0681 12.0686 12.0686 14.6500 14.6500 14.6502 14.6502 16.3845 16.3845 k = 0.5000-0.2146-0.3411 ( 3530 PWs) bands (ev): -20.2607 -20.2607 -20.2607 -20.2607 -19.5488 -19.5488 -19.5486 -19.5486 -19.4038 -19.4038 -19.4038 -19.4038 -4.6028 -4.6028 -4.6024 -4.6024 -2.7515 -2.7515 -2.7466 -2.7466 -2.3112 -2.3112 -2.3024 -2.3024 -1.5275 -1.5275 -1.5240 -1.5240 -0.9628 -0.9628 -0.9625 -0.9625 -0.6934 -0.6934 -0.6900 -0.6900 0.2640 0.2640 0.2701 0.2701 0.4629 0.4629 0.4740 0.4740 0.5882 0.5882 0.5905 0.5905 12.0958 12.0958 12.0964 12.0964 14.6266 14.6266 14.6268 14.6268 16.3524 16.3524 k = 0.5000-0.2056-0.3539 ( 3530 PWs) bands (ev): -20.2559 -20.2559 -20.2559 -20.2559 -19.5583 -19.5583 -19.5582 -19.5582 -19.3999 -19.3999 -19.3999 -19.3999 -4.5888 -4.5888 -4.5883 -4.5883 -2.7641 -2.7641 -2.7590 -2.7590 -2.3042 -2.3042 -2.2949 -2.2949 -1.5476 -1.5476 -1.5438 -1.5438 -0.9561 -0.9561 -0.9556 -0.9556 -0.6640 -0.6640 -0.6606 -0.6606 0.2428 0.2428 0.2488 0.2488 0.4529 0.4529 0.4643 0.4643 0.5872 0.5872 0.5895 0.5895 12.1263 12.1263 12.1269 12.1269 14.5999 14.5999 14.6001 14.6001 16.3237 16.3237 k = 0.5000-0.1967-0.3667 ( 3528 PWs) bands (ev): -20.2507 -20.2507 -20.2507 -20.2507 -19.5680 -19.5680 -19.5679 -19.5679 -19.3962 -19.3962 -19.3962 -19.3962 -4.5737 -4.5737 -4.5732 -4.5732 -2.7774 -2.7774 -2.7723 -2.7723 -2.2968 -2.2968 -2.2869 -2.2869 -1.5676 -1.5676 -1.5636 -1.5636 -0.9484 -0.9484 -0.9476 -0.9476 -0.6342 -0.6342 -0.6307 -0.6307 0.2204 0.2204 0.2262 0.2262 0.4414 0.4414 0.4529 0.4529 0.5867 0.5867 0.5889 0.5889 12.1594 12.1594 12.1601 12.1601 14.5698 14.5698 14.5699 14.5699 16.2987 16.2987 k = 0.5000-0.1877-0.3795 ( 3526 PWs) bands (ev): -20.2451 -20.2451 -20.2451 -20.2451 -19.5780 -19.5780 -19.5778 -19.5778 -19.3927 -19.3927 -19.3927 -19.3927 -4.5577 -4.5577 -4.5572 -4.5572 -2.7915 -2.7915 -2.7862 -2.7862 -2.2890 -2.2890 -2.2787 -2.2787 -1.5875 -1.5875 -1.5833 -1.5833 -0.9397 -0.9397 -0.9386 -0.9386 -0.6041 -0.6041 -0.6005 -0.6005 0.1967 0.1967 0.2023 0.2023 0.4285 0.4285 0.4399 0.4399 0.5866 0.5866 0.5886 0.5886 12.1951 12.1951 12.1959 12.1959 14.5361 14.5361 14.5363 14.5363 16.2778 16.2778 k = 0.5000-0.1787-0.3923 ( 3528 PWs) bands (ev): -20.2393 -20.2393 -20.2393 -20.2393 -19.5880 -19.5880 -19.5879 -19.5879 -19.3894 -19.3894 -19.3894 -19.3894 -4.5410 -4.5410 -4.5404 -4.5404 -2.8061 -2.8061 -2.8008 -2.8008 -2.2809 -2.2809 -2.2702 -2.2702 -1.6071 -1.6071 -1.6026 -1.6026 -0.9301 -0.9301 -0.9287 -0.9287 -0.5737 -0.5737 -0.5700 -0.5700 0.1720 0.1720 0.1772 0.1772 0.4142 0.4142 0.4257 0.4257 0.5866 0.5866 0.5884 0.5884 12.2334 12.2334 12.2342 12.2342 14.4990 14.4990 14.4992 14.4992 16.2609 16.2609 k = 0.5000-0.1698-0.4052 ( 3518 PWs) bands (ev): -20.2332 -20.2332 -20.2331 -20.2331 -19.5982 -19.5982 -19.5980 -19.5980 -19.3863 -19.3863 -19.3863 -19.3863 -4.5235 -4.5235 -4.5229 -4.5229 -2.8211 -2.8211 -2.8159 -2.8159 -2.2725 -2.2725 -2.2614 -2.2614 -1.6262 -1.6262 -1.6215 -1.6215 -0.9196 -0.9196 -0.9179 -0.9179 -0.5433 -0.5433 -0.5395 -0.5395 0.1462 0.1462 0.1511 0.1511 0.3989 0.3989 0.4102 0.4102 0.5868 0.5868 0.5884 0.5884 12.2741 12.2741 12.2750 12.2750 14.4584 14.4584 14.4586 14.4586 16.2481 16.2481 k = 0.5000-0.1608-0.4180 ( 3520 PWs) bands (ev): -20.2268 -20.2268 -20.2268 -20.2268 -19.6083 -19.6083 -19.6082 -19.6082 -19.3834 -19.3834 -19.3834 -19.3834 -4.5056 -4.5056 -4.5049 -4.5049 -2.8366 -2.8366 -2.8313 -2.8313 -2.2640 -2.2640 -2.2525 -2.2525 -1.6447 -1.6447 -1.6398 -1.6398 -0.9084 -0.9084 -0.9063 -0.9063 -0.5129 -0.5129 -0.5091 -0.5091 0.1195 0.1195 0.1239 0.1239 0.3826 0.3826 0.3938 0.3938 0.5870 0.5870 0.5885 0.5885 12.3172 12.3172 12.3181 12.3181 14.4146 14.4146 14.4148 14.4148 16.2393 16.2393 k = 0.5000-0.1518-0.4308 ( 3524 PWs) bands (ev): -20.2203 -20.2203 -20.2203 -20.2203 -19.6185 -19.6185 -19.6184 -19.6184 -19.3806 -19.3806 -19.3806 -19.3806 -4.4871 -4.4871 -4.4864 -4.4864 -2.8523 -2.8523 -2.8471 -2.8471 -2.2553 -2.2553 -2.2435 -2.2435 -1.6625 -1.6625 -1.6574 -1.6574 -0.8963 -0.8963 -0.8939 -0.8939 -0.4828 -0.4828 -0.4787 -0.4787 0.0921 0.0921 0.0960 0.0960 0.3654 0.3654 0.3765 0.3765 0.5871 0.5871 0.5885 0.5885 12.3625 12.3625 12.3635 12.3635 14.3676 14.3676 14.3678 14.3678 16.2344 16.2344 k = 0.5000-0.1429-0.4436 ( 3520 PWs) bands (ev): -20.2137 -20.2137 -20.2136 -20.2136 -19.6287 -19.6287 -19.6285 -19.6285 -19.3781 -19.3781 -19.3781 -19.3781 -4.4684 -4.4684 -4.4677 -4.4677 -2.8682 -2.8682 -2.8630 -2.8630 -2.2466 -2.2466 -2.2345 -2.2345 -1.6796 -1.6796 -1.6742 -1.6742 -0.8836 -0.8836 -0.8807 -0.8807 -0.4528 -0.4528 -0.4487 -0.4487 0.0640 0.0640 0.0673 0.0673 0.3475 0.3475 0.3584 0.3584 0.5873 0.5873 0.5884 0.5884 12.4100 12.4100 12.4110 12.4110 14.3178 14.3178 14.3180 14.3180 16.2331 16.2331 k = 0.5000-0.1339-0.4564 ( 3510 PWs) bands (ev): -20.2069 -20.2069 -20.2069 -20.2069 -19.6387 -19.6387 -19.6385 -19.6385 -19.3757 -19.3757 -19.3757 -19.3757 -4.4496 -4.4496 -4.4488 -4.4488 -2.8840 -2.8840 -2.8790 -2.8790 -2.2379 -2.2379 -2.2255 -2.2255 -1.6958 -1.6958 -1.6902 -1.6902 -0.8701 -0.8701 -0.8669 -0.8669 -0.4233 -0.4233 -0.4190 -0.4190 0.0355 0.0355 0.0382 0.0382 0.3288 0.3288 0.3396 0.3396 0.5874 0.5874 0.5883 0.5883 12.4596 12.4596 12.4606 12.4606 14.2653 14.2653 14.2655 14.2655 16.2351 16.2351 k = 0.5000-0.1249-0.4692 ( 3514 PWs) bands (ev): -20.2002 -20.2002 -20.2002 -20.2002 -19.6485 -19.6485 -19.6483 -19.6483 -19.3735 -19.3735 -19.3735 -19.3735 -4.4307 -4.4307 -4.4299 -4.4299 -2.8998 -2.8998 -2.8948 -2.8948 -2.2294 -2.2294 -2.2167 -2.2167 -1.7110 -1.7110 -1.7052 -1.7052 -0.8561 -0.8561 -0.8524 -0.8524 -0.3945 -0.3945 -0.3898 -0.3898 0.0068 0.0068 0.0088 0.0088 0.3096 0.3096 0.3202 0.3202 0.5874 0.5874 0.5881 0.5881 12.5110 12.5110 12.5121 12.5121 14.2105 14.2105 14.2107 14.2107 16.2402 16.2402 k = 0.5000-0.1160-0.4820 ( 3516 PWs) bands (ev): -20.1935 -20.1935 -20.1935 -20.1935 -19.6581 -19.6581 -19.6579 -19.6579 -19.3715 -19.3715 -19.3715 -19.3715 -4.4121 -4.4121 -4.4112 -4.4112 -2.9153 -2.9153 -2.9104 -2.9104 -2.2209 -2.2209 -2.2080 -2.2080 -1.7253 -1.7253 -1.7193 -1.7193 -0.8415 -0.8415 -0.8373 -0.8373 -0.3665 -0.3665 -0.3615 -0.3615 -0.0217 -0.0217 -0.0206 -0.0206 0.2899 0.2899 0.3003 0.3003 0.5873 0.5873 0.5878 0.5878 12.5643 12.5643 12.5654 12.5654 14.1537 14.1537 14.1539 14.1539 16.2479 16.2479 k = 0.5000-0.1070-0.4948 ( 3516 PWs) bands (ev): -20.1870 -20.1870 -20.1869 -20.1869 -19.6673 -19.6673 -19.6672 -19.6672 -19.3696 -19.3696 -19.3696 -19.3696 -4.3938 -4.3938 -4.3929 -4.3929 -2.9303 -2.9303 -2.9256 -2.9256 -2.2127 -2.2127 -2.1996 -2.1996 -1.7386 -1.7386 -1.7324 -1.7324 -0.8264 -0.8264 -0.8217 -0.8217 -0.3397 -0.3397 -0.3344 -0.3344 -0.0496 -0.0496 -0.0494 -0.0494 0.2697 0.2697 0.2801 0.2801 0.5870 0.5870 0.5874 0.5874 12.6191 12.6191 12.6202 12.6202 14.0952 14.0952 14.0955 14.0955 16.2580 16.2580 k = 0.5000-0.0980-0.5076 ( 3510 PWs) bands (ev): -20.1806 -20.1806 -20.1805 -20.1805 -19.6762 -19.6762 -19.6760 -19.6760 -19.3679 -19.3679 -19.3679 -19.3679 -4.3761 -4.3761 -4.3751 -4.3751 -2.9448 -2.9448 -2.9402 -2.9402 -2.2048 -2.2048 -2.1915 -2.1915 -1.7508 -1.7508 -1.7444 -1.7444 -0.8108 -0.8108 -0.8056 -0.8056 -0.3149 -0.3149 -0.3089 -0.3089 -0.0769 -0.0769 -0.0762 -0.0762 0.2493 0.2493 0.2595 0.2595 0.5867 0.5867 0.5869 0.5869 12.6753 12.6753 12.6764 12.6764 14.0355 14.0355 14.0358 14.0358 16.2700 16.2700 k = 0.5000-0.0891-0.5204 ( 3514 PWs) bands (ev): -20.1745 -20.1745 -20.1745 -20.1745 -19.6845 -19.6845 -19.6843 -19.6843 -19.3664 -19.3664 -19.3664 -19.3664 -4.3591 -4.3591 -4.3581 -4.3581 -2.9586 -2.9586 -2.9540 -2.9540 -2.1973 -2.1973 -2.1838 -2.1838 -1.7619 -1.7619 -1.7554 -1.7554 -0.7950 -0.7950 -0.7892 -0.7892 -0.2930 -0.2930 -0.2864 -0.2864 -0.1020 -0.1020 -0.1001 -0.1001 0.2286 0.2286 0.2387 0.2387 0.5863 0.5863 0.5863 0.5863 12.7325 12.7325 12.7337 12.7337 13.9749 13.9749 13.9752 13.9752 16.2836 16.2836 k = 0.5000-0.0801-0.5332 ( 3516 PWs) bands (ev): -20.1688 -20.1688 -20.1688 -20.1688 -19.6923 -19.6923 -19.6921 -19.6921 -19.3650 -19.3650 -19.3650 -19.3650 -4.3430 -4.3430 -4.3420 -4.3420 -2.9715 -2.9715 -2.9670 -2.9670 -2.1902 -2.1902 -2.1766 -2.1766 -1.7718 -1.7718 -1.7652 -1.7652 -0.7789 -0.7789 -0.7725 -0.7725 -0.2762 -0.2762 -0.2690 -0.2690 -0.1224 -0.1224 -0.1193 -0.1193 0.2078 0.2078 0.2179 0.2179 0.5855 0.5855 0.5858 0.5858 12.7905 12.7905 12.7917 12.7917 13.9140 13.9140 13.9144 13.9144 16.2983 16.2983 k = 0.5000-0.0711-0.5460 ( 3518 PWs) bands (ev): -20.1636 -20.1636 -20.1635 -20.1635 -19.6993 -19.6993 -19.6992 -19.6992 -19.3638 -19.3638 -19.3637 -19.3637 -4.3281 -4.3281 -4.3270 -4.3270 -2.9832 -2.9832 -2.9789 -2.9789 -2.1836 -2.1836 -2.1700 -2.1700 -1.7806 -1.7806 -1.7739 -1.7739 -0.7628 -0.7628 -0.7559 -0.7559 -0.2676 -0.2676 -0.2601 -0.2601 -0.1343 -0.1343 -0.1307 -0.1307 0.1871 0.1871 0.1973 0.1973 0.5847 0.5847 0.5851 0.5851 12.8485 12.8485 12.8498 12.8498 13.8535 13.8535 13.8539 13.8539 16.3138 16.3138 k = 0.5000-0.0622-0.5588 ( 3512 PWs) bands (ev): -20.1589 -20.1589 -20.1588 -20.1588 -19.7056 -19.7056 -19.7054 -19.7054 -19.3627 -19.3627 -19.3627 -19.3627 -4.3144 -4.3144 -4.3133 -4.3133 -2.9938 -2.9938 -2.9896 -2.9896 -2.1777 -2.1777 -2.1640 -2.1640 -1.7881 -1.7881 -1.7815 -1.7815 -0.7470 -0.7470 -0.7394 -0.7394 -0.2693 -0.2693 -0.2629 -0.2629 -0.1347 -0.1347 -0.1318 -0.1318 0.1668 0.1668 0.1771 0.1771 0.5838 0.5838 0.5844 0.5844 12.9060 12.9060 12.9072 12.9072 13.7943 13.7943 13.7947 13.7947 16.3296 16.3296 k = 0.5000-0.0532-0.5716 ( 3512 PWs) bands (ev): -20.1548 -20.1548 -20.1548 -20.1548 -19.7110 -19.7110 -19.7109 -19.7109 -19.3618 -19.3618 -19.3617 -19.3617 -4.3022 -4.3022 -4.3011 -4.3011 -3.0030 -3.0030 -2.9989 -2.9989 -2.1724 -2.1724 -2.1588 -2.1588 -1.7944 -1.7944 -1.7878 -1.7878 -0.7316 -0.7316 -0.7235 -0.7235 -0.2799 -0.2799 -0.2750 -0.2750 -0.1259 -0.1259 -0.1243 -0.1243 0.1474 0.1474 0.1577 0.1577 0.5827 0.5827 0.5836 0.5836 12.9617 12.9617 12.9629 12.9629 13.7376 13.7376 13.7381 13.7381 16.3453 16.3453 k = 0.5000-0.0442-0.5845 ( 3504 PWs) bands (ev): -20.1515 -20.1515 -20.1515 -20.1515 -19.7155 -19.7155 -19.7153 -19.7153 -19.3610 -19.3610 -19.3609 -19.3609 -4.2916 -4.2916 -4.2904 -4.2904 -3.0106 -3.0106 -3.0067 -3.0067 -2.1678 -2.1678 -2.1544 -2.1544 -1.7995 -1.7995 -1.7929 -1.7929 -0.7173 -0.7173 -0.7087 -0.7087 -0.2949 -0.2949 -0.2915 -0.2915 -0.1129 -0.1129 -0.1125 -0.1125 0.1295 0.1295 0.1400 0.1400 0.5816 0.5816 0.5827 0.5827 13.0136 13.0136 13.0148 13.0148 13.6855 13.6855 13.6861 13.6861 16.3607 16.3607 k = 0.5000-0.0353-0.5973 ( 3504 PWs) bands (ev): -20.1490 -20.1490 -20.1490 -20.1490 -19.7189 -19.7189 -19.7187 -19.7187 -19.3604 -19.3604 -19.3603 -19.3603 -4.2828 -4.2828 -4.2816 -4.2816 -3.0167 -3.0167 -3.0129 -3.0129 -2.1642 -2.1642 -2.1509 -2.1509 -1.8032 -1.8032 -1.7968 -1.7968 -0.7045 -0.7045 -0.6954 -0.6954 -0.3108 -0.3108 -0.3086 -0.3086 -0.1006 -0.1006 -0.1000 -0.1000 0.1141 0.1141 0.1247 0.1247 0.5804 0.5804 0.5818 0.5818 13.0588 13.0588 13.0599 13.0599 13.6411 13.6411 13.6418 13.6418 16.3751 16.3751 k = 0.5000-0.0263-0.6101 ( 3504 PWs) bands (ev): -20.1474 -20.1474 -20.1473 -20.1473 -19.7212 -19.7212 -19.7210 -19.7210 -19.3599 -19.3599 -19.3598 -19.3598 -4.2758 -4.2758 -4.2746 -4.2746 -3.0210 -3.0210 -3.0173 -3.0173 -2.1614 -2.1614 -2.1484 -2.1484 -1.8055 -1.8055 -1.7994 -1.7994 -0.6940 -0.6940 -0.6846 -0.6846 -0.3252 -0.3252 -0.3237 -0.3237 -0.0914 -0.0914 -0.0902 -0.0902 0.1028 0.1028 0.1134 0.1134 0.5791 0.5791 0.5807 0.5807 13.0927 13.0927 13.0936 13.0936 13.6091 13.6091 13.6099 13.6099 16.3884 16.3884 k = 0.5000-0.0173-0.6229 ( 3502 PWs) bands (ev): -20.1466 -20.1466 -20.1466 -20.1466 -19.7224 -19.7224 -19.7222 -19.7222 -19.3595 -19.3595 -19.3595 -19.3595 -4.2708 -4.2708 -4.2696 -4.2696 -3.0234 -3.0234 -3.0199 -3.0199 -2.1596 -2.1596 -2.1470 -2.1470 -1.8064 -1.8064 -1.8007 -1.8007 -0.6864 -0.6864 -0.6769 -0.6769 -0.3364 -0.3364 -0.3352 -0.3352 -0.0873 -0.0873 -0.0861 -0.0861 0.0972 0.0972 0.1074 0.1074 0.5777 0.5777 0.5796 0.5796 13.1096 13.1096 13.1103 13.1103 13.5950 13.5950 13.5961 13.5961 16.4001 16.4001 k = 0.7549 0.1259-0.2293 ( 3502 PWs) bands (ev): -20.1467 -20.1467 -20.1466 -20.1466 -19.7223 -19.7223 -19.7221 -19.7221 -19.3596 -19.3596 -19.3595 -19.3595 -4.2708 -4.2708 -4.2696 -4.2696 -3.0234 -3.0234 -3.0198 -3.0198 -2.1597 -2.1597 -2.1470 -2.1470 -1.8065 -1.8065 -1.8007 -1.8007 -0.6863 -0.6863 -0.6769 -0.6769 -0.3364 -0.3364 -0.3351 -0.3351 -0.0873 -0.0873 -0.0861 -0.0861 0.0971 0.0971 0.1073 0.1073 0.5777 0.5777 0.5796 0.5796 13.1096 13.1096 13.1103 13.1103 13.5950 13.5950 13.5961 13.5961 16.4001 16.4001 k = 0.7471 0.1306-0.2164 ( 3504 PWs) bands (ev): -20.1469 -20.1469 -20.1468 -20.1468 -19.7223 -19.7223 -19.7221 -19.7221 -19.3594 -19.3594 -19.3593 -19.3593 -4.2678 -4.2678 -4.2665 -4.2665 -3.0240 -3.0240 -3.0205 -3.0205 -2.1590 -2.1590 -2.1468 -2.1468 -1.8060 -1.8060 -1.8006 -1.8006 -0.6825 -0.6825 -0.6732 -0.6732 -0.3433 -0.3433 -0.3418 -0.3418 -0.0898 -0.0898 -0.0891 -0.0891 0.0984 0.0984 0.1078 0.1078 0.5762 0.5762 0.5784 0.5784 13.1056 13.1056 13.1062 13.1062 13.6030 13.6030 13.6043 13.6043 16.4102 16.4102 k = 0.7394 0.1353-0.2035 ( 3492 PWs) bands (ev): -20.1481 -20.1481 -20.1480 -20.1480 -19.7211 -19.7211 -19.7209 -19.7209 -19.3594 -19.3594 -19.3593 -19.3593 -4.2668 -4.2668 -4.2655 -4.2655 -3.0227 -3.0227 -3.0194 -3.0194 -2.1594 -2.1594 -2.1477 -2.1477 -1.8040 -1.8040 -1.7991 -1.7991 -0.6829 -0.6829 -0.6742 -0.6742 -0.3448 -0.3448 -0.3428 -0.3428 -0.0991 -0.0991 -0.0990 -0.0990 0.1061 0.1061 0.1146 0.1146 0.5746 0.5746 0.5771 0.5771 13.0816 13.0816 13.0820 13.0820 13.6323 13.6323 13.6337 13.6337 16.4182 16.4182 k = 0.7317 0.1400-0.1906 ( 3500 PWs) bands (ev): -20.1501 -20.1501 -20.1500 -20.1500 -19.7188 -19.7188 -19.7185 -19.7185 -19.3595 -19.3595 -19.3594 -19.3594 -4.2678 -4.2678 -4.2666 -4.2666 -3.0195 -3.0195 -3.0163 -3.0163 -2.1610 -2.1610 -2.1500 -2.1500 -1.8005 -1.8005 -1.7962 -1.7962 -0.6876 -0.6876 -0.6797 -0.6797 -0.3409 -0.3409 -0.3380 -0.3380 -0.1147 -0.1147 -0.1137 -0.1137 0.1188 0.1188 0.1263 0.1263 0.5730 0.5730 0.5758 0.5758 13.0424 13.0424 13.0428 13.0428 13.6779 13.6779 13.6795 13.6795 16.4241 16.4241 k = 0.7240 0.1447-0.1777 ( 3502 PWs) bands (ev): -20.1531 -20.1531 -20.1530 -20.1530 -19.7153 -19.7153 -19.7151 -19.7151 -19.3598 -19.3598 -19.3596 -19.3596 -4.2708 -4.2708 -4.2696 -4.2696 -3.0145 -3.0145 -3.0114 -3.0114 -2.1639 -2.1639 -2.1535 -2.1535 -1.7955 -1.7955 -1.7918 -1.7918 -0.6963 -0.6963 -0.6894 -0.6894 -0.3318 -0.3318 -0.3276 -0.3276 -0.1343 -0.1343 -0.1324 -0.1324 0.1347 0.1347 0.1414 0.1414 0.5713 0.5713 0.5744 0.5744 12.9935 12.9935 12.9938 12.9938 13.7346 13.7346 13.7362 13.7362 16.4278 16.4278 k = 0.7163 0.1494-0.1648 ( 3504 PWs) bands (ev): -20.1569 -20.1569 -20.1568 -20.1568 -19.7108 -19.7108 -19.7105 -19.7105 -19.3602 -19.3602 -19.3601 -19.3601 -4.2757 -4.2757 -4.2745 -4.2745 -3.0078 -3.0078 -3.0048 -3.0048 -2.1680 -2.1680 -2.1583 -2.1583 -1.7890 -1.7890 -1.7859 -1.7859 -0.7083 -0.7083 -0.7024 -0.7024 -0.3182 -0.3182 -0.3127 -0.3127 -0.1564 -0.1564 -0.1537 -0.1537 0.1525 0.1525 0.1586 0.1586 0.5695 0.5695 0.5729 0.5729 12.9385 12.9385 12.9389 12.9389 13.7985 13.7985 13.8002 13.8002 16.4294 16.4294 k = 0.7085 0.1541-0.1519 ( 3514 PWs) bands (ev): -20.1614 -20.1614 -20.1613 -20.1613 -19.7053 -19.7053 -19.7050 -19.7050 -19.3608 -19.3608 -19.3607 -19.3607 -4.2823 -4.2823 -4.2811 -4.2811 -2.9994 -2.9994 -2.9966 -2.9966 -2.1734 -2.1734 -2.1644 -2.1644 -1.7810 -1.7810 -1.7786 -1.7786 -0.7227 -0.7227 -0.7177 -0.7177 -0.3013 -0.3013 -0.2942 -0.2942 -0.1802 -0.1802 -0.1767 -0.1767 0.1714 0.1714 0.1770 0.1770 0.5677 0.5677 0.5713 0.5713 12.8802 12.8802 12.8804 12.8804 13.8672 13.8672 13.8690 13.8690 16.4291 16.4291 k = 0.7008 0.1588-0.1389 ( 3512 PWs) bands (ev): -20.1665 -20.1665 -20.1664 -20.1664 -19.6989 -19.6989 -19.6986 -19.6986 -19.3615 -19.3615 -19.3614 -19.3614 -4.2906 -4.2906 -4.2894 -4.2894 -2.9895 -2.9895 -2.9868 -2.9868 -2.1800 -2.1800 -2.1717 -2.1717 -1.7716 -1.7716 -1.7698 -1.7698 -0.7388 -0.7388 -0.7347 -0.7347 -0.2825 -0.2825 -0.2735 -0.2735 -0.2045 -0.2045 -0.1999 -0.1999 0.1907 0.1907 0.1960 0.1960 0.5658 0.5658 0.5697 0.5697 12.8199 12.8199 12.8201 12.8201 13.9391 13.9391 13.9409 13.9409 16.4270 16.4270 k = 0.6931 0.1635-0.1260 ( 3510 PWs) bands (ev): -20.1722 -20.1722 -20.1721 -20.1721 -19.6917 -19.6917 -19.6914 -19.6914 -19.3625 -19.3625 -19.3623 -19.3623 -4.3002 -4.3002 -4.2991 -4.2991 -2.9782 -2.9782 -2.9756 -2.9756 -2.1877 -2.1877 -2.1801 -2.1801 -1.7608 -1.7608 -1.7596 -1.7596 -0.7559 -0.7559 -0.7526 -0.7526 -0.2665 -0.2665 -0.2558 -0.2558 -0.2244 -0.2244 -0.2189 -0.2189 0.2102 0.2102 0.2153 0.2153 0.5638 0.5638 0.5681 0.5681 12.7587 12.7587 12.7590 12.7590 14.0132 14.0132 14.0151 14.0151 16.4236 16.4236 k = 0.6854 0.1682-0.1131 ( 3518 PWs) bands (ev): -20.1784 -20.1784 -20.1783 -20.1783 -19.6838 -19.6838 -19.6836 -19.6836 -19.3635 -19.3635 -19.3634 -19.3634 -4.3112 -4.3112 -4.3100 -4.3100 -2.9657 -2.9657 -2.9632 -2.9632 -2.1966 -2.1966 -2.1897 -2.1897 -1.7486 -1.7486 -1.7480 -1.7480 -0.7736 -0.7736 -0.7710 -0.7710 -0.2703 -0.2703 -0.2664 -0.2664 -0.2172 -0.2172 -0.2152 -0.2152 0.2296 0.2296 0.2346 0.2346 0.5617 0.5617 0.5663 0.5663 12.6973 12.6973 12.6976 12.6976 14.0888 14.0888 14.0907 14.0907 16.4192 16.4192 k = 0.6776 0.1729-0.1002 ( 3514 PWs) bands (ev): -20.1849 -20.1849 -20.1848 -20.1848 -19.6753 -19.6753 -19.6751 -19.6751 -19.3648 -19.3648 -19.3647 -19.3647 -4.3232 -4.3232 -4.3221 -4.3221 -2.9522 -2.9522 -2.9498 -2.9498 -2.2066 -2.2066 -2.2003 -2.2003 -1.7351 -1.7351 -1.7351 -1.7351 -0.7914 -0.7914 -0.7894 -0.7894 -0.2925 -0.2925 -0.2920 -0.2920 -0.1964 -0.1964 -0.1902 -0.1902 0.2487 0.2487 0.2536 0.2536 0.5595 0.5595 0.5645 0.5645 12.6363 12.6363 12.6365 12.6365 14.1652 14.1652 14.1672 14.1672 16.4141 16.4141 k = 0.6699 0.1776-0.0873 ( 3514 PWs) bands (ev): -20.1917 -20.1917 -20.1916 -20.1916 -19.6662 -19.6662 -19.6661 -19.6661 -19.3663 -19.3663 -19.3662 -19.3662 -4.3361 -4.3361 -4.3351 -4.3351 -2.9376 -2.9376 -2.9354 -2.9354 -2.2175 -2.2175 -2.2118 -2.2118 -1.7210 -1.7210 -1.7205 -1.7205 -0.8090 -0.8090 -0.8075 -0.8075 -0.3198 -0.3198 -0.3191 -0.3191 -0.1707 -0.1707 -0.1627 -0.1627 0.2675 0.2675 0.2723 0.2723 0.5573 0.5573 0.5625 0.5625 12.5759 12.5759 12.5762 12.5762 14.2422 14.2422 14.2442 14.2442 16.4087 16.4087 k = 0.6622 0.1823-0.0744 ( 3518 PWs) bands (ev): -20.1987 -20.1987 -20.1986 -20.1986 -19.6568 -19.6568 -19.6566 -19.6566 -19.3679 -19.3679 -19.3678 -19.3678 -4.3498 -4.3498 -4.3488 -4.3488 -2.9224 -2.9224 -2.9203 -2.9203 -2.2293 -2.2293 -2.2242 -2.2242 -1.7056 -1.7056 -1.7046 -1.7046 -0.8263 -0.8263 -0.8253 -0.8253 -0.3484 -0.3484 -0.3471 -0.3471 -0.1434 -0.1434 -0.1341 -0.1341 0.2857 0.2857 0.2906 0.2906 0.5550 0.5550 0.5605 0.5605 12.5166 12.5166 12.5168 12.5168 14.3192 14.3192 14.3213 14.3213 16.4035 16.4035 k = 0.6545 0.1870-0.0615 ( 3524 PWs) bands (ev): -20.2058 -20.2058 -20.2057 -20.2057 -19.6470 -19.6470 -19.6468 -19.6468 -19.3698 -19.3698 -19.3697 -19.3697 -4.3640 -4.3640 -4.3630 -4.3630 -2.9064 -2.9064 -2.9044 -2.9044 -2.2419 -2.2419 -2.2373 -2.2373 -1.6892 -1.6892 -1.6878 -1.6878 -0.8430 -0.8430 -0.8424 -0.8424 -0.3774 -0.3774 -0.3758 -0.3758 -0.1153 -0.1153 -0.1051 -0.1051 0.3034 0.3034 0.3084 0.3084 0.5525 0.5525 0.5584 0.5584 12.4585 12.4585 12.4588 12.4588 14.3960 14.3960 14.3981 14.3981 16.3990 16.3990 k = 0.6467 0.1917-0.0486 ( 3530 PWs) bands (ev): -20.2129 -20.2129 -20.2128 -20.2128 -19.6370 -19.6370 -19.6368 -19.6368 -19.3718 -19.3718 -19.3717 -19.3717 -4.3786 -4.3786 -4.3777 -4.3777 -2.8899 -2.8899 -2.8881 -2.8881 -2.2552 -2.2552 -2.2512 -2.2512 -1.6717 -1.6717 -1.6699 -1.6699 -0.8591 -0.8591 -0.8588 -0.8588 -0.4069 -0.4069 -0.4050 -0.4050 -0.0869 -0.0869 -0.0758 -0.0758 0.3206 0.3206 0.3256 0.3256 0.5500 0.5500 0.5561 0.5561 12.4019 12.4019 12.4022 12.4022 14.4721 14.4721 14.4742 14.4742 16.3955 16.3955 k = 0.6390 0.1964-0.0356 ( 3526 PWs) bands (ev): -20.2200 -20.2200 -20.2199 -20.2199 -19.6267 -19.6267 -19.6265 -19.6265 -19.3740 -19.3740 -19.3739 -19.3739 -4.3934 -4.3934 -4.3925 -4.3925 -2.8730 -2.8730 -2.8713 -2.8713 -2.2692 -2.2692 -2.2656 -2.2656 -1.6533 -1.6533 -1.6512 -1.6512 -0.8744 -0.8744 -0.8744 -0.8744 -0.4365 -0.4365 -0.4345 -0.4345 -0.0584 -0.0584 -0.0467 -0.0467 0.3371 0.3371 0.3422 0.3422 0.5474 0.5474 0.5538 0.5538 12.3471 12.3471 12.3473 12.3473 14.5472 14.5472 14.5494 14.5494 16.3936 16.3936 k = 0.6313 0.2011-0.0227 ( 3520 PWs) bands (ev): -20.2270 -20.2270 -20.2269 -20.2269 -19.6163 -19.6163 -19.6161 -19.6161 -19.3765 -19.3765 -19.3764 -19.3764 -4.4082 -4.4082 -4.4073 -4.4073 -2.8558 -2.8558 -2.8542 -2.8542 -2.2837 -2.2837 -2.2805 -2.2805 -1.6341 -1.6341 -1.6317 -1.6317 -0.8891 -0.8891 -0.8888 -0.8888 -0.4663 -0.4663 -0.4643 -0.4643 -0.0301 -0.0301 -0.0178 -0.0178 0.3530 0.3530 0.3582 0.3582 0.5448 0.5448 0.5514 0.5514 12.2941 12.2941 12.2943 12.2943 14.6208 14.6208 14.6231 14.6231 16.3936 16.3936 k = 0.6236 0.2058-0.0098 ( 3522 PWs) bands (ev): -20.2339 -20.2339 -20.2338 -20.2338 -19.6058 -19.6058 -19.6057 -19.6057 -19.3791 -19.3791 -19.3790 -19.3790 -4.4229 -4.4229 -4.4221 -4.4221 -2.8383 -2.8383 -2.8368 -2.8368 -2.2987 -2.2987 -2.2959 -2.2959 -1.6141 -1.6141 -1.6115 -1.6115 -0.9028 -0.9028 -0.9023 -0.9023 -0.4963 -0.4963 -0.4941 -0.4941 -0.0022 -0.0022 0.0107 0.0107 0.3682 0.3682 0.3734 0.3734 0.5420 0.5420 0.5488 0.5488 12.2432 12.2432 12.2434 12.2434 14.6927 14.6927 14.6950 14.6950 16.3961 16.3961 k = 0.6158 0.2105 0.0031 ( 3532 PWs) bands (ev): -20.2405 -20.2405 -20.2405 -20.2405 -19.5953 -19.5953 -19.5952 -19.5952 -19.3821 -19.3821 -19.3820 -19.3820 -4.4374 -4.4374 -4.4367 -4.4367 -2.8207 -2.8207 -2.8194 -2.8194 -2.3140 -2.3140 -2.3116 -2.3116 -1.5936 -1.5936 -1.5908 -1.5908 -0.9155 -0.9155 -0.9148 -0.9148 -0.5262 -0.5262 -0.5241 -0.5241 0.0252 0.0252 0.0384 0.0384 0.3826 0.3826 0.3880 0.3880 0.5391 0.5391 0.5461 0.5461 12.1945 12.1945 12.1947 12.1947 14.7623 14.7623 14.7646 14.7646 16.4016 16.4016 k = 0.6081 0.2152 0.0160 ( 3528 PWs) bands (ev): -20.2470 -20.2470 -20.2469 -20.2469 -19.5849 -19.5849 -19.5847 -19.5847 -19.3852 -19.3852 -19.3851 -19.3851 -4.4515 -4.4515 -4.4509 -4.4509 -2.8029 -2.8029 -2.8018 -2.8018 -2.3297 -2.3297 -2.3276 -2.3276 -1.5726 -1.5726 -1.5697 -1.5697 -0.9271 -0.9271 -0.9263 -0.9263 -0.5562 -0.5562 -0.5541 -0.5541 0.0518 0.0518 0.0654 0.0654 0.3963 0.3963 0.4018 0.4018 0.5362 0.5362 0.5433 0.5433 12.1482 12.1482 12.1484 12.1484 14.8292 14.8292 14.8315 14.8315 16.4105 16.4105 k = 0.6004 0.2199 0.0289 ( 3524 PWs) bands (ev): -20.2531 -20.2531 -20.2530 -20.2530 -19.5744 -19.5744 -19.5743 -19.5743 -19.3885 -19.3885 -19.3884 -19.3884 -4.4652 -4.4652 -4.4646 -4.4646 -2.7852 -2.7852 -2.7841 -2.7841 -2.3457 -2.3457 -2.3439 -2.3439 -1.5513 -1.5513 -1.5482 -1.5482 -0.9376 -0.9376 -0.9366 -0.9366 -0.5861 -0.5861 -0.5839 -0.5839 0.0776 0.0776 0.0914 0.0914 0.4092 0.4092 0.4148 0.4148 0.5333 0.5333 0.5404 0.5404 12.1044 12.1044 12.1046 12.1046 14.8929 14.8929 14.8953 14.8953 16.4232 16.4232 k = 0.5927 0.2246 0.0418 ( 3534 PWs) bands (ev): -20.2589 -20.2589 -20.2589 -20.2589 -19.5641 -19.5641 -19.5640 -19.5640 -19.3922 -19.3922 -19.3921 -19.3921 -4.4783 -4.4783 -4.4777 -4.4777 -2.7674 -2.7674 -2.7665 -2.7665 -2.3618 -2.3618 -2.3603 -2.3603 -1.5299 -1.5299 -1.5267 -1.5267 -0.9468 -0.9468 -0.9457 -0.9457 -0.6158 -0.6158 -0.6137 -0.6137 0.1023 0.1023 0.1163 0.1163 0.4212 0.4212 0.4270 0.4270 0.5303 0.5303 0.5373 0.5373 12.0633 12.0633 12.0635 12.0635 14.9530 14.9530 14.9554 14.9554 16.4403 16.4403 k = 0.5850 0.2293 0.0547 ( 3534 PWs) bands (ev): -20.2644 -20.2644 -20.2643 -20.2643 -19.5540 -19.5540 -19.5538 -19.5538 -19.3960 -19.3960 -19.3959 -19.3959 -4.4906 -4.4906 -4.4901 -4.4901 -2.7497 -2.7497 -2.7489 -2.7489 -2.3781 -2.3781 -2.3768 -2.3768 -1.5084 -1.5084 -1.5052 -1.5052 -0.9547 -0.9547 -0.9535 -0.9535 -0.6453 -0.6453 -0.6433 -0.6433 0.1260 0.1260 0.1399 0.1399 0.4324 0.4324 0.4384 0.4384 0.5273 0.5273 0.5342 0.5342 12.0250 12.0250 12.0251 12.0251 15.0089 15.0089 15.0113 15.0113 16.4620 16.4620 k = 0.5772 0.2340 0.0677 ( 3536 PWs) bands (ev): -20.2695 -20.2695 -20.2694 -20.2694 -19.5439 -19.5439 -19.5438 -19.5438 -19.4002 -19.4002 -19.4001 -19.4001 -4.5022 -4.5022 -4.5017 -4.5017 -2.7320 -2.7320 -2.7314 -2.7314 -2.3945 -2.3945 -2.3935 -2.3935 -1.4872 -1.4872 -1.4840 -1.4840 -0.9612 -0.9612 -0.9599 -0.9599 -0.6745 -0.6745 -0.6725 -0.6725 0.1483 0.1483 0.1621 0.1621 0.4426 0.4426 0.4488 0.4488 0.5244 0.5244 0.5310 0.5310 11.9895 11.9895 11.9897 11.9897 15.0604 15.0604 15.0628 15.0628 16.4888 16.4888 k = 0.5695 0.2387 0.0806 ( 3526 PWs) bands (ev): -20.2741 -20.2741 -20.2741 -20.2741 -19.5341 -19.5341 -19.5340 -19.5340 -19.4046 -19.4046 -19.4045 -19.4045 -4.5129 -4.5129 -4.5125 -4.5125 -2.7145 -2.7145 -2.7139 -2.7139 -2.4110 -2.4110 -2.4101 -2.4101 -1.4665 -1.4665 -1.4633 -1.4633 -0.9661 -0.9661 -0.9648 -0.9648 -0.7032 -0.7032 -0.7013 -0.7013 0.1693 0.1693 0.1828 0.1828 0.4518 0.4518 0.4582 0.4582 0.5216 0.5216 0.5277 0.5277 11.9571 11.9571 11.9573 11.9573 15.1071 15.1071 15.1094 15.1094 16.5209 16.5209 k = 0.5618 0.2434 0.0935 ( 3522 PWs) bands (ev): -20.2784 -20.2784 -20.2783 -20.2783 -19.5245 -19.5245 -19.5244 -19.5244 -19.4092 -19.4092 -19.4091 -19.4091 -4.5227 -4.5227 -4.5223 -4.5223 -2.6970 -2.6970 -2.6966 -2.6966 -2.4275 -2.4275 -2.4268 -2.4268 -1.4465 -1.4465 -1.4434 -1.4434 -0.9694 -0.9694 -0.9680 -0.9680 -0.7314 -0.7314 -0.7296 -0.7296 0.1888 0.1888 0.2018 0.2018 0.4600 0.4600 0.4666 0.4666 0.5191 0.5191 0.5245 0.5245 11.9278 11.9278 11.9280 11.9280 15.1488 15.1488 15.1509 15.1509 16.5583 16.5583 k = 0.5541 0.2481 0.1064 ( 3522 PWs) bands (ev): -20.2821 -20.2821 -20.2821 -20.2821 -19.5151 -19.5151 -19.5150 -19.5150 -19.4142 -19.4142 -19.4141 -19.4141 -4.5315 -4.5315 -4.5312 -4.5312 -2.6797 -2.6797 -2.6793 -2.6793 -2.4441 -2.4441 -2.4435 -2.4435 -1.4276 -1.4276 -1.4246 -1.4246 -0.9708 -0.9708 -0.9695 -0.9695 -0.7589 -0.7589 -0.7573 -0.7573 0.2066 0.2066 0.2189 0.2189 0.4670 0.4670 0.4738 0.4738 0.5169 0.5169 0.5215 0.5215 11.9018 11.9018 11.9019 11.9019 15.1852 15.1852 15.1872 15.1872 16.6010 16.6010 k = 0.5463 0.2528 0.1193 ( 3520 PWs) bands (ev): -20.2854 -20.2854 -20.2854 -20.2854 -19.5060 -19.5060 -19.5059 -19.5059 -19.4194 -19.4194 -19.4194 -19.4194 -4.5392 -4.5392 -4.5389 -4.5389 -2.6624 -2.6624 -2.6622 -2.6622 -2.4606 -2.4606 -2.4602 -2.4602 -1.4100 -1.4100 -1.4073 -1.4073 -0.9702 -0.9702 -0.9690 -0.9690 -0.7856 -0.7856 -0.7841 -0.7841 0.2227 0.2227 0.2340 0.2340 0.4728 0.4728 0.4798 0.4798 0.5152 0.5152 0.5187 0.5187 11.8790 11.8790 11.8791 11.8791 15.2165 15.2165 15.2183 15.2183 16.6488 16.6488 k = 0.5386 0.2575 0.1322 ( 3520 PWs) bands (ev): -20.2883 -20.2883 -20.2883 -20.2883 -19.4972 -19.4972 -19.4971 -19.4971 -19.4250 -19.4250 -19.4249 -19.4249 -4.5458 -4.5458 -4.5456 -4.5456 -2.6454 -2.6454 -2.6452 -2.6452 -2.4772 -2.4772 -2.4769 -2.4769 -1.3942 -1.3942 -1.3918 -1.3918 -0.9675 -0.9675 -0.9663 -0.9663 -0.8113 -0.8113 -0.8100 -0.8100 0.2369 0.2369 0.2470 0.2470 0.4773 0.4773 0.4844 0.4844 0.5141 0.5141 0.5165 0.5165 11.8596 11.8596 11.8597 11.8597 15.2426 15.2426 15.2441 15.2441 16.7014 16.7015 k = 0.5309 0.2622 0.1451 ( 3518 PWs) bands (ev): -20.2906 -20.2906 -20.2906 -20.2906 -19.4886 -19.4886 -19.4885 -19.4885 -19.4308 -19.4308 -19.4307 -19.4307 -4.5513 -4.5513 -4.5511 -4.5511 -2.6284 -2.6284 -2.6283 -2.6283 -2.4937 -2.4937 -2.4935 -2.4935 -1.3806 -1.3806 -1.3785 -1.3785 -0.9624 -0.9624 -0.9614 -0.9614 -0.8357 -0.8357 -0.8346 -0.8346 0.2491 0.2491 0.2576 0.2576 0.4806 0.4806 0.4874 0.4874 0.5137 0.5137 0.5150 0.5150 11.8436 11.8436 11.8437 11.8437 15.2637 15.2637 15.2649 15.2649 16.7585 16.7586 k = 0.5232 0.2669 0.1580 ( 3520 PWs) bands (ev): -20.2924 -20.2924 -20.2924 -20.2924 -19.4803 -19.4803 -19.4802 -19.4802 -19.4370 -19.4370 -19.4369 -19.4369 -4.5556 -4.5556 -4.5554 -4.5554 -2.6116 -2.6116 -2.6115 -2.6115 -2.5102 -2.5102 -2.5101 -2.5101 -1.3694 -1.3694 -1.3678 -1.3678 -0.9548 -0.9548 -0.9540 -0.9540 -0.8587 -0.8587 -0.8579 -0.8579 0.2591 0.2591 0.2658 0.2658 0.4830 0.4830 0.4888 0.4888 0.5137 0.5137 0.5143 0.5143 11.8312 11.8312 11.8312 11.8312 15.2798 15.2798 15.2808 15.2808 16.8196 16.8197 k = 0.5154 0.2716 0.1709 ( 3518 PWs) bands (ev): -20.2937 -20.2937 -20.2937 -20.2937 -19.4723 -19.4723 -19.4722 -19.4722 -19.4434 -19.4434 -19.4433 -19.4433 -4.5586 -4.5586 -4.5585 -4.5585 -2.5950 -2.5950 -2.5949 -2.5949 -2.5266 -2.5266 -2.5265 -2.5265 -1.3611 -1.3611 -1.3599 -1.3599 -0.9447 -0.9447 -0.9441 -0.9441 -0.8801 -0.8801 -0.8795 -0.8795 0.2667 0.2667 0.2713 0.2713 0.4847 0.4847 0.4889 0.4889 0.5140 0.5140 0.5142 0.5142 11.8222 11.8222 11.8223 11.8223 15.2913 15.2913 15.2920 15.2920 16.8840 16.8841 k = 0.5077 0.2763 0.1839 ( 3518 PWs) bands (ev): -20.2945 -20.2945 -20.2945 -20.2945 -19.4646 -19.4646 -19.4646 -19.4646 -19.4502 -19.4502 -19.4501 -19.4501 -4.5605 -4.5605 -4.5604 -4.5604 -2.5789 -2.5789 -2.5789 -2.5789 -2.5425 -2.5425 -2.5424 -2.5424 -1.3558 -1.3558 -1.3552 -1.3552 -0.9320 -0.9320 -0.9317 -0.9317 -0.8995 -0.8995 -0.8992 -0.8992 0.2718 0.2718 0.2742 0.2742 0.4860 0.4860 0.4882 0.4882 0.5143 0.5143 0.5144 0.5144 11.8169 11.8169 11.8169 11.8169 15.2982 15.2982 15.2986 15.2986 16.9512 16.9513 k = 0.5000 0.2810 0.1968 ( 3516 PWs) bands (ev): -20.2948 -20.2948 -20.2948 -20.2948 -19.4576 -19.4576 -19.4576 -19.4576 -19.4568 -19.4568 -19.4568 -19.4568 -4.5611 -4.5611 -4.5611 -4.5611 -2.5680 -2.5680 -2.5680 -2.5680 -2.5534 -2.5534 -2.5534 -2.5534 -1.3539 -1.3539 -1.3539 -1.3539 -0.9175 -0.9175 -0.9175 -0.9175 -0.9160 -0.9160 -0.9160 -0.9160 0.2744 0.2744 0.2744 0.2744 0.4872 0.4872 0.4872 0.4872 0.5145 0.5145 0.5145 0.5145 11.8151 11.8151 11.8151 11.8151 15.3006 15.3006 15.3006 15.3006 17.0207 17.0208 k = 0.5000 0.2810 0.1968 ( 3516 PWs) bands (ev): -20.2948 -20.2948 -20.2948 -20.2948 -19.4576 -19.4576 -19.4576 -19.4576 -19.4568 -19.4568 -19.4568 -19.4568 -4.5611 -4.5611 -4.5611 -4.5611 -2.5680 -2.5680 -2.5680 -2.5680 -2.5534 -2.5534 -2.5534 -2.5534 -1.3539 -1.3539 -1.3539 -1.3539 -0.9175 -0.9175 -0.9175 -0.9175 -0.9160 -0.9160 -0.9160 -0.9160 0.2744 0.2744 0.2744 0.2744 0.4872 0.4872 0.4872 0.4872 0.5145 0.5145 0.5145 0.5145 11.8151 11.8151 11.8151 11.8151 15.3006 15.3006 15.3006 15.3006 17.0207 17.0207 k = 0.4868 0.2736 0.1916 ( 3513 PWs) bands (ev): -20.3195 -20.3195 -20.2699 -20.2699 -19.4653 -19.4653 -19.4645 -19.4645 -19.4498 -19.4498 -19.4491 -19.4491 -4.6128 -4.6128 -4.5097 -4.5097 -2.6122 -2.6122 -2.5981 -2.5981 -2.5237 -2.5237 -2.5087 -2.5087 -1.4001 -1.4001 -1.3061 -1.3061 -0.9612 -0.9612 -0.9600 -0.9600 -0.8736 -0.8736 -0.8719 -0.8719 0.2590 0.2590 0.2896 0.2896 0.4767 0.4767 0.4981 0.4981 0.5041 0.5041 0.5253 0.5253 11.7078 11.7078 11.9222 11.9222 15.2847 15.2847 15.3131 15.3131 16.9594 16.9596 k = 0.4737 0.2662 0.1864 ( 3519 PWs) bands (ev): -20.3441 -20.3441 -20.2449 -20.2449 -19.4730 -19.4730 -19.4722 -19.4722 -19.4421 -19.4421 -19.4413 -19.4413 -4.6650 -4.6650 -4.4590 -4.4590 -2.6565 -2.6565 -2.6427 -2.6427 -2.4796 -2.4796 -2.4641 -2.4641 -1.4447 -1.4447 -1.2570 -1.2570 -1.0046 -1.0046 -1.0037 -1.0037 -0.8297 -0.8297 -0.8278 -0.8278 0.2435 0.2435 0.3046 0.3046 0.4667 0.4667 0.4942 0.4942 0.5095 0.5095 0.5365 0.5365 11.6005 11.6005 12.0291 12.0291 15.2655 15.2655 15.3221 15.3221 16.8980 16.8982 k = 0.4605 0.2588 0.1812 ( 3519 PWs) bands (ev): -20.3685 -20.3685 -20.2198 -20.2198 -19.4807 -19.4807 -19.4798 -19.4798 -19.4343 -19.4343 -19.4336 -19.4336 -4.7174 -4.7174 -4.4089 -4.4089 -2.7006 -2.7006 -2.6872 -2.6872 -2.4358 -2.4358 -2.4198 -2.4198 -1.4878 -1.4878 -1.2064 -1.2064 -1.0477 -1.0477 -1.0471 -1.0471 -0.7858 -0.7858 -0.7837 -0.7837 0.2279 0.2279 0.3193 0.3193 0.4571 0.4571 0.4847 0.4847 0.5213 0.5213 0.5482 0.5482 11.4933 11.4933 12.1355 12.1355 15.2431 15.2431 15.3277 15.3277 16.8365 16.8365 k = 0.4474 0.2514 0.1761 ( 3519 PWs) bands (ev): -20.3926 -20.3926 -20.1948 -20.1948 -19.4882 -19.4882 -19.4873 -19.4873 -19.4265 -19.4265 -19.4258 -19.4258 -4.7700 -4.7700 -4.3595 -4.3595 -2.7445 -2.7445 -2.7314 -2.7314 -2.3924 -2.3924 -2.3758 -2.3758 -1.5293 -1.5293 -1.1545 -1.1545 -1.0903 -1.0903 -1.0901 -1.0901 -0.7421 -0.7421 -0.7397 -0.7397 0.2123 0.2123 0.3338 0.3338 0.4480 0.4480 0.4756 0.4756 0.5336 0.5336 0.5604 0.5604 11.3864 11.3864 12.2414 12.2414 15.2177 15.2177 15.3300 15.3300 16.7749 16.7749 k = 0.4342 0.2441 0.1709 ( 3528 PWs) bands (ev): -20.4165 -20.4165 -20.1698 -20.1698 -19.4957 -19.4957 -19.4948 -19.4948 -19.4188 -19.4188 -19.4181 -19.4181 -4.8227 -4.8227 -4.3110 -4.3110 -2.7880 -2.7880 -2.7753 -2.7753 -2.3495 -2.3495 -2.3323 -2.3323 -1.5693 -1.5693 -1.1327 -1.1327 -1.1323 -1.1323 -1.1012 -1.1012 -0.6985 -0.6985 -0.6960 -0.6960 0.1965 0.1965 0.3481 0.3481 0.4393 0.4393 0.4670 0.4670 0.5463 0.5463 0.5729 0.5729 11.2798 11.2798 12.3466 12.3466 15.1894 15.1894 15.3289 15.3289 16.7132 16.7132 k = 0.4211 0.2367 0.1657 ( 3534 PWs) bands (ev): -20.4400 -20.4400 -20.1448 -20.1448 -19.5031 -19.5031 -19.5021 -19.5021 -19.4110 -19.4110 -19.4104 -19.4104 -4.8753 -4.8753 -4.2633 -4.2633 -2.8311 -2.8311 -2.8187 -2.8187 -2.3072 -2.3072 -2.2894 -2.2894 -1.6076 -1.6076 -1.1745 -1.1745 -1.1736 -1.1736 -1.0469 -1.0469 -0.6553 -0.6553 -0.6525 -0.6525 0.1808 0.1808 0.3620 0.3620 0.4310 0.4310 0.4588 0.4588 0.5595 0.5595 0.5859 0.5859 11.1737 11.1737 12.4510 12.4510 15.1584 15.1584 15.3246 15.3246 16.6516 16.6516 k = 0.4079 0.2293 0.1605 ( 3531 PWs) bands (ev): -20.4631 -20.4631 -20.1200 -20.1200 -19.5104 -19.5104 -19.5094 -19.5094 -19.4034 -19.4034 -19.4028 -19.4028 -4.9277 -4.9277 -4.2166 -4.2166 -2.8736 -2.8736 -2.8616 -2.8616 -2.2657 -2.2657 -2.2472 -2.2472 -1.6443 -1.6443 -1.2155 -1.2155 -1.2141 -1.2141 -0.9914 -0.9914 -0.6124 -0.6124 -0.6095 -0.6095 0.1651 0.1651 0.3757 0.3757 0.4231 0.4231 0.4510 0.4510 0.5731 0.5731 0.5993 0.5993 11.0682 11.0682 12.5544 12.5544 15.1251 15.1251 15.3174 15.3174 16.5900 16.5900 k = 0.3947 0.2219 0.1553 ( 3549 PWs) bands (ev): -20.4859 -20.4859 -20.0954 -20.0954 -19.5176 -19.5176 -19.5166 -19.5166 -19.3958 -19.3958 -19.3952 -19.3952 -4.9799 -4.9799 -4.1709 -4.1709 -2.9156 -2.9156 -2.9039 -2.9039 -2.2253 -2.2253 -2.2060 -2.2060 -1.6795 -1.6795 -1.2557 -1.2557 -1.2536 -1.2536 -0.9350 -0.9350 -0.5699 -0.5699 -0.5669 -0.5669 0.1494 0.1494 0.3889 0.3889 0.4156 0.4156 0.4436 0.4436 0.5870 0.5870 0.6131 0.6131 10.9636 10.9636 12.6567 12.6567 15.0896 15.0896 15.3075 15.3075 16.5284 16.5284 k = 0.3816 0.2145 0.1502 ( 3537 PWs) bands (ev): -20.5083 -20.5083 -20.0709 -20.0709 -19.5246 -19.5246 -19.5236 -19.5236 -19.3882 -19.3882 -19.3877 -19.3877 -5.0317 -5.0317 -4.1262 -4.1262 -2.9569 -2.9569 -2.9455 -2.9455 -2.1859 -2.1859 -2.1657 -2.1657 -1.7130 -1.7130 -1.2948 -1.2948 -1.2919 -1.2919 -0.8776 -0.8776 -0.5280 -0.5280 -0.5248 -0.5248 0.1339 0.1339 0.4017 0.4017 0.4087 0.4087 0.4365 0.4365 0.6014 0.6014 0.6273 0.6273 10.8598 10.8598 12.7576 12.7576 15.0522 15.0522 15.2950 15.2950 16.4671 16.4671 k = 0.3684 0.2071 0.1450 ( 3531 PWs) bands (ev): -20.5301 -20.5301 -20.0468 -20.0468 -19.5315 -19.5315 -19.5304 -19.5304 -19.3808 -19.3808 -19.3803 -19.3803 -5.0830 -5.0830 -4.0827 -4.0827 -2.9975 -2.9975 -2.9863 -2.9863 -2.1479 -2.1479 -2.1268 -2.1268 -1.7451 -1.7451 -1.3327 -1.3327 -1.3289 -1.3289 -0.8195 -0.8195 -0.4866 -0.4866 -0.4833 -0.4833 0.1184 0.1184 0.4017 0.4017 0.4146 0.4146 0.4299 0.4299 0.6161 0.6161 0.6419 0.6419 10.7571 10.7571 12.8572 12.8572 15.0132 15.0132 15.2804 15.2804 16.4060 16.4060 k = 0.3553 0.1997 0.1398 ( 3525 PWs) bands (ev): -20.5515 -20.5515 -20.0229 -20.0229 -19.5383 -19.5383 -19.5371 -19.5371 -19.3735 -19.3735 -19.3730 -19.3730 -5.1337 -5.1337 -4.0404 -4.0404 -3.0372 -3.0372 -3.0263 -3.0263 -2.1115 -2.1115 -2.0893 -2.0893 -1.7755 -1.7755 -1.3691 -1.3691 -1.3644 -1.3644 -0.7608 -0.7608 -0.4460 -0.4460 -0.4424 -0.4424 0.1031 0.1031 0.3954 0.3954 0.4236 0.4236 0.4267 0.4267 0.6311 0.6311 0.6567 0.6567 10.6556 10.6556 12.9550 12.9550 14.9728 14.9728 15.2638 15.2638 16.3452 16.3452 k = 0.3421 0.1923 0.1346 ( 3513 PWs) bands (ev): -20.5724 -20.5724 -19.9994 -19.9994 -19.5449 -19.5449 -19.5437 -19.5437 -19.3663 -19.3663 -19.3658 -19.3658 -5.1837 -5.1837 -3.9993 -3.9993 -3.0761 -3.0761 -3.0655 -3.0655 -2.0769 -2.0769 -2.0535 -2.0535 -1.8045 -1.8045 -1.4039 -1.4039 -1.3980 -1.3980 -0.7016 -0.7016 -0.4060 -0.4060 -0.4023 -0.4023 0.0880 0.0880 0.3894 0.3894 0.4177 0.4177 0.4384 0.4384 0.6464 0.6464 0.6718 0.6718 10.5555 10.5555 13.0511 13.0511 14.9314 14.9314 15.2458 15.2458 16.2849 16.2849 k = 0.3289 0.1849 0.1295 ( 3507 PWs) bands (ev): -20.5927 -20.5927 -19.9763 -19.9763 -19.5513 -19.5513 -19.5501 -19.5501 -19.3592 -19.3592 -19.3588 -19.3588 -5.2328 -5.2328 -3.9595 -3.9595 -3.1140 -3.1140 -3.1036 -3.1036 -2.0446 -2.0446 -2.0198 -2.0198 -1.8320 -1.8320 -1.4367 -1.4367 -1.4295 -1.4295 -0.6422 -0.6422 -0.3669 -0.3669 -0.3630 -0.3630 0.0732 0.0732 0.3837 0.3837 0.4120 0.4120 0.4498 0.4498 0.6619 0.6619 0.6871 0.6871 10.4569 10.4569 13.1451 13.1451 14.8892 14.8892 15.2266 15.2266 16.2251 16.2251 k = 0.3158 0.1775 0.1243 ( 3519 PWs) bands (ev): -20.6124 -20.6124 -19.9536 -19.9536 -19.5575 -19.5575 -19.5563 -19.5563 -19.3523 -19.3523 -19.3519 -19.3519 -5.2810 -5.2810 -3.9209 -3.9209 -3.1510 -3.1510 -3.1408 -3.1408 -2.0149 -2.0149 -1.9886 -1.9886 -1.8580 -1.8580 -1.4672 -1.4672 -1.4584 -1.4584 -0.5826 -0.5826 -0.3287 -0.3287 -0.3246 -0.3246 0.0585 0.0585 0.3784 0.3784 0.4068 0.4068 0.4607 0.4607 0.6775 0.6775 0.7026 0.7026 10.3599 10.3599 13.2368 13.2368 14.8464 14.8464 15.2066 15.2066 16.1661 16.1661 k = 0.3026 0.1701 0.1191 ( 3519 PWs) bands (ev): -20.6315 -20.6315 -19.9314 -19.9314 -19.5636 -19.5636 -19.5624 -19.5624 -19.3455 -19.3455 -19.3452 -19.3452 -5.3282 -5.3282 -3.8838 -3.8838 -3.1868 -3.1868 -3.1769 -3.1769 -1.9883 -1.9883 -1.9604 -1.9604 -1.8826 -1.8826 -1.4948 -1.4948 -1.4844 -1.4844 -0.5231 -0.5231 -0.2913 -0.2913 -0.2870 -0.2870 0.0442 0.0442 0.3734 0.3734 0.4018 0.4018 0.4712 0.4712 0.6933 0.6933 0.7181 0.7181 10.2649 10.2649 13.3259 13.3259 14.8034 14.8034 15.1863 15.1863 16.1078 16.1078 k = 0.2895 0.1627 0.1139 ( 3510 PWs) bands (ev): -20.6500 -20.6500 -19.9098 -19.9098 -19.5695 -19.5695 -19.5682 -19.5682 -19.3390 -19.3390 -19.3386 -19.3386 -5.3742 -5.3742 -3.8479 -3.8479 -3.2216 -3.2216 -3.2119 -3.2119 -1.9654 -1.9654 -1.9362 -1.9362 -1.9053 -1.9053 -1.5188 -1.5188 -1.5067 -1.5067 -0.4638 -0.4638 -0.2550 -0.2550 -0.2504 -0.2504 0.0302 0.0302 0.3687 0.3687 0.3972 0.3972 0.4812 0.4812 0.7091 0.7091 0.7338 0.7338 10.1718 10.1718 13.4122 13.4122 14.7603 14.7603 15.1661 15.1661 16.0506 16.0506 k = 0.2763 0.1553 0.1087 ( 3531 PWs) bands (ev): -20.6679 -20.6679 -19.8887 -19.8887 -19.5751 -19.5751 -19.5739 -19.5739 -19.3326 -19.3326 -19.3323 -19.3323 -5.4190 -5.4190 -3.8135 -3.8135 -3.2551 -3.2551 -3.2456 -3.2456 -1.9468 -1.9468 -1.9297 -1.9297 -1.9135 -1.9135 -1.5387 -1.5387 -1.5249 -1.5249 -0.4051 -0.4051 -0.2197 -0.2197 -0.2149 -0.2149 0.0166 0.0166 0.3642 0.3642 0.3928 0.3928 0.4907 0.4907 0.7249 0.7249 0.7494 0.7494 10.0809 10.0809 13.4954 13.4954 14.7175 14.7175 15.1464 15.1464 15.9944 15.9944 k = 0.2632 0.1479 0.1036 ( 3534 PWs) bands (ev): -20.6850 -20.6850 -19.8683 -19.8683 -19.5806 -19.5806 -19.5793 -19.5793 -19.3264 -19.3264 -19.3261 -19.3261 -5.4624 -5.4624 -3.7805 -3.7805 -3.2875 -3.2875 -3.2782 -3.2782 -1.9492 -1.9492 -1.9330 -1.9330 -1.8994 -1.8994 -1.5536 -1.5536 -1.5383 -1.5383 -0.3470 -0.3470 -0.1855 -0.1855 -0.1804 -0.1804 0.0035 0.0035 0.3601 0.3601 0.3887 0.3887 0.4998 0.4998 0.7407 0.7407 0.7650 0.7650 9.9924 9.9924 13.5751 13.5751 14.6752 14.6752 15.1277 15.1277 15.9396 15.9396 k = 0.2500 0.1405 0.0984 ( 3537 PWs) bands (ev): -20.7015 -20.7015 -19.8485 -19.8485 -19.5858 -19.5858 -19.5845 -19.5845 -19.3204 -19.3204 -19.3201 -19.3201 -5.5044 -5.5044 -3.7490 -3.7490 -3.3185 -3.3185 -3.3094 -3.3094 -1.9684 -1.9684 -1.9245 -1.9245 -1.8902 -1.8902 -1.5627 -1.5627 -1.5466 -1.5466 -0.2899 -0.2899 -0.1525 -0.1525 -0.1471 -0.1471 -0.0092 -0.0092 0.3563 0.3563 0.3849 0.3849 0.5085 0.5085 0.7563 0.7563 0.7804 0.7804 9.9064 9.9064 13.6509 13.6509 14.6336 14.6336 15.1105 15.1105 15.8861 15.8861 k = 0.2368 0.1331 0.0932 ( 3537 PWs) bands (ev): -20.7173 -20.7173 -19.8295 -19.8295 -19.5908 -19.5908 -19.5895 -19.5895 -19.3147 -19.3147 -19.3144 -19.3144 -5.5448 -5.5448 -3.7189 -3.7189 -3.3483 -3.3483 -3.3393 -3.3393 -1.9864 -1.9864 -1.9212 -1.9212 -1.8869 -1.8869 -1.5661 -1.5661 -1.5498 -1.5498 -0.2339 -0.2339 -0.1207 -0.1207 -0.1151 -0.1151 -0.0211 -0.0211 0.3527 0.3527 0.3815 0.3815 0.5166 0.5166 0.7716 0.7716 0.7956 0.7956 9.8232 9.8232 13.7226 13.7226 14.5928 14.5928 15.0953 15.0953 15.8342 15.8342 k = 0.2237 0.1257 0.0880 ( 3525 PWs) bands (ev): -20.7323 -20.7323 -19.8112 -19.8112 -19.5956 -19.5956 -19.5943 -19.5943 -19.3091 -19.3091 -19.3089 -19.3089 -5.5835 -5.5835 -3.6904 -3.6904 -3.3766 -3.3766 -3.3678 -3.3678 -2.0033 -2.0033 -1.9227 -1.9227 -1.8890 -1.8890 -1.5640 -1.5640 -1.5483 -1.5483 -0.1795 -0.1795 -0.0902 -0.0902 -0.0849 -0.0849 -0.0319 -0.0319 0.3494 0.3494 0.3782 0.3782 0.5243 0.5243 0.7867 0.7867 0.8105 0.8105 9.7430 9.7430 13.7896 13.7896 14.5532 14.5532 15.0824 15.0824 15.7841 15.7841 k = 0.2105 0.1183 0.0829 ( 3531 PWs) bands (ev): -20.7465 -20.7465 -19.7937 -19.7937 -19.6001 -19.6001 -19.5988 -19.5988 -19.3039 -19.3039 -19.3037 -19.3037 -5.6206 -5.6206 -3.6633 -3.6633 -3.4036 -3.4036 -3.3949 -3.3949 -2.0190 -2.0190 -1.9284 -1.9284 -1.8958 -1.8958 -1.5574 -1.5574 -1.5428 -1.5428 -0.1270 -0.1270 -0.0610 -0.0610 -0.0604 -0.0604 -0.0373 -0.0373 0.3464 0.3464 0.3753 0.3753 0.5315 0.5315 0.8013 0.8013 0.8250 0.8250 9.6659 9.6659 13.8515 13.8515 14.5149 14.5149 15.0724 15.0724 15.7359 15.7359 k = 0.1974 0.1109 0.0777 ( 3531 PWs) bands (ev): -20.7600 -20.7600 -19.7771 -19.7771 -19.6044 -19.6044 -19.6031 -19.6031 -19.2989 -19.2989 -19.2987 -19.2987 -5.6558 -5.6558 -3.6378 -3.6378 -3.4291 -3.4291 -3.4206 -3.4206 -2.0336 -2.0336 -1.9371 -1.9371 -1.9059 -1.9059 -1.5476 -1.5476 -1.5343 -1.5343 -0.0785 -0.0785 -0.0581 -0.0581 -0.0332 -0.0332 -0.0191 -0.0191 0.3437 0.3437 0.3725 0.3725 0.5383 0.5383 0.8155 0.8155 0.8391 0.8391 9.5921 9.5921 13.9081 13.9081 14.4781 14.4781 15.0656 15.0656 15.6897 15.6897 k = 0.1842 0.1035 0.0725 ( 3525 PWs) bands (ev): -20.7727 -20.7727 -19.7613 -19.7613 -19.6085 -19.6085 -19.6071 -19.6071 -19.2941 -19.2941 -19.2940 -19.2940 -5.6891 -5.6891 -3.6139 -3.6139 -3.4532 -3.4532 -3.4447 -3.4447 -2.0471 -2.0471 -1.9480 -1.9480 -1.9183 -1.9183 -1.5356 -1.5356 -1.5237 -1.5237 -0.0700 -0.0700 -0.0289 -0.0289 -0.0069 -0.0069 0.0093 0.0093 0.3412 0.3412 0.3701 0.3701 0.5446 0.5446 0.8292 0.8292 0.8526 0.8526 9.5218 9.5218 13.9590 13.9590 14.4429 14.4429 15.0624 15.0624 15.6457 15.6457 k = 0.1711 0.0961 0.0673 ( 3530 PWs) bands (ev): -20.7845 -20.7845 -19.7465 -19.7465 -19.6123 -19.6123 -19.6109 -19.6109 -19.2897 -19.2897 -19.2895 -19.2895 -5.7205 -5.7205 -3.5916 -3.5916 -3.4757 -3.4757 -3.4673 -3.4673 -2.0595 -2.0595 -1.9602 -1.9602 -1.9319 -1.9319 -1.5224 -1.5224 -1.5119 -1.5119 -0.0787 -0.0787 0.0102 0.0102 0.0179 0.0179 0.0418 0.0418 0.3391 0.3391 0.3679 0.3679 0.5504 0.5504 0.8423 0.8423 0.8656 0.8656 9.4553 9.4553 14.0039 14.0039 14.4095 14.4095 15.0628 15.0628 15.6041 15.6041 k = 0.1579 0.0887 0.0621 ( 3521 PWs) bands (ev): -20.7956 -20.7956 -19.7325 -19.7325 -19.6158 -19.6158 -19.6143 -19.6143 -19.2855 -19.2855 -19.2854 -19.2854 -5.7498 -5.7498 -3.5709 -3.5709 -3.4967 -3.4967 -3.4883 -3.4883 -2.0709 -2.0709 -1.9731 -1.9731 -1.9460 -1.9460 -1.5088 -1.5088 -1.4995 -1.4995 -0.0874 -0.0874 0.0408 0.0408 0.0411 0.0411 0.0794 0.0794 0.3372 0.3372 0.3659 0.3659 0.5558 0.5558 0.8547 0.8547 0.8779 0.8779 9.3927 9.3927 14.0429 14.0429 14.3780 14.3780 15.0668 15.0668 15.5649 15.5649 k = 0.1447 0.0814 0.0570 ( 3533 PWs) bands (ev): -20.8058 -20.8058 -19.7196 -19.7196 -19.6190 -19.6190 -19.6176 -19.6176 -19.2817 -19.2817 -19.2815 -19.2815 -5.7771 -5.7771 -3.5520 -3.5520 -3.5161 -3.5161 -3.5075 -3.5075 -2.0812 -2.0812 -1.9861 -1.9861 -1.9601 -1.9601 -1.4953 -1.4953 -1.4871 -1.4871 -0.0957 -0.0957 0.0626 0.0626 0.0656 0.0656 0.1185 0.1185 0.3357 0.3357 0.3642 0.3642 0.5607 0.5607 0.8663 0.8663 0.8894 0.8894 9.3343 9.3343 14.0759 14.0759 14.3486 14.3486 15.0743 15.0743 15.5284 15.5284 k = 0.1316 0.0740 0.0518 ( 3545 PWs) bands (ev): -20.8152 -20.8152 -19.7077 -19.7077 -19.6220 -19.6220 -19.6206 -19.6206 -19.2781 -19.2781 -19.2780 -19.2780 -5.8022 -5.8022 -3.5365 -3.5365 -3.5339 -3.5339 -3.5234 -3.5234 -2.0906 -2.0906 -1.9988 -1.9988 -1.9737 -1.9737 -1.4823 -1.4823 -1.4750 -1.4750 -0.1034 -0.1034 0.0825 0.0825 0.0873 0.0873 0.1562 0.1562 0.3345 0.3345 0.3626 0.3626 0.5651 0.5651 0.8771 0.8771 0.9002 0.9002 9.2802 9.2802 14.1034 14.1034 14.3213 14.3213 15.0848 15.0848 15.4946 15.4946 k = 0.1184 0.0666 0.0466 ( 3545 PWs) bands (ev): -20.8237 -20.8237 -19.6969 -19.6969 -19.6247 -19.6247 -19.6233 -19.6233 -19.2749 -19.2749 -19.2747 -19.2747 -5.8251 -5.8251 -3.5501 -3.5501 -3.5434 -3.5434 -3.5167 -3.5167 -2.0990 -2.0990 -2.0109 -2.0109 -1.9866 -1.9866 -1.4700 -1.4700 -1.4635 -1.4635 -0.1105 -0.1105 0.1006 0.1006 0.1066 0.1066 0.1912 0.1912 0.3339 0.3339 0.3613 0.3613 0.5691 0.5691 0.8871 0.8871 0.9101 0.9101 9.2306 9.2306 14.1258 14.1258 14.2964 14.2964 15.0977 15.0977 15.4636 15.4636 k = 0.1053 0.0592 0.0414 ( 3545 PWs) bands (ev): -20.8314 -20.8314 -19.6871 -19.6871 -19.6272 -19.6272 -19.6257 -19.6257 -19.2719 -19.2719 -19.2718 -19.2718 -5.8456 -5.8456 -3.5646 -3.5646 -3.5575 -3.5575 -3.5030 -3.5030 -2.1065 -2.1065 -2.0222 -2.0222 -1.9985 -1.9985 -1.4587 -1.4587 -1.4528 -1.4528 -0.1169 -0.1169 0.1169 0.1169 0.1239 0.1239 0.2226 0.2226 0.3340 0.3340 0.3602 0.3602 0.5727 0.5727 0.8962 0.8962 0.9191 0.9191 9.1857 9.1857 14.1435 14.1435 14.2738 14.2738 15.1123 15.1123 15.4357 15.4357 k = 0.0921 0.0518 0.0362 ( 3536 PWs) bands (ev): -20.8381 -20.8381 -19.6784 -19.6784 -19.6293 -19.6293 -19.6279 -19.6279 -19.2694 -19.2694 -19.2692 -19.2692 -5.8639 -5.8639 -3.5775 -3.5775 -3.5703 -3.5703 -3.4905 -3.4905 -2.1131 -2.1131 -2.0324 -2.0324 -2.0093 -2.0093 -1.4485 -1.4485 -1.4431 -1.4431 -0.1225 -0.1225 0.1314 0.1314 0.1392 0.1392 0.2499 0.2499 0.3351 0.3351 0.3594 0.3594 0.5758 0.5758 0.9043 0.9043 0.9272 0.9272 9.1456 9.1456 14.1573 14.1573 14.2537 14.2537 15.1277 15.1277 15.4108 15.4108 k = 0.0789 0.0444 0.0311 ( 3536 PWs) bands (ev): -20.8440 -20.8440 -19.6708 -19.6708 -19.6312 -19.6312 -19.6297 -19.6297 -19.2671 -19.2671 -19.2670 -19.2670 -5.8798 -5.8798 -3.5887 -3.5887 -3.5814 -3.5814 -3.4796 -3.4796 -2.1187 -2.1187 -2.0415 -2.0415 -2.0188 -2.0188 -1.4395 -1.4395 -1.4345 -1.4345 -0.1275 -0.1275 0.1440 0.1440 0.1525 0.1525 0.2721 0.2721 0.3379 0.3379 0.3586 0.3586 0.5785 0.5785 0.9114 0.9114 0.9343 0.9343 9.1106 9.1106 14.1678 14.1678 14.2361 14.2361 15.1431 15.1431 15.3891 15.3891 k = 0.0658 0.0370 0.0259 ( 3542 PWs) bands (ev): -20.8490 -20.8490 -19.6644 -19.6644 -19.6328 -19.6328 -19.6313 -19.6313 -19.2652 -19.2652 -19.2651 -19.2651 -5.8934 -5.8934 -3.5982 -3.5982 -3.5910 -3.5910 -3.4703 -3.4703 -2.1235 -2.1235 -2.0494 -2.0494 -2.0270 -2.0270 -1.4318 -1.4318 -1.4271 -1.4271 -0.1317 -0.1317 0.1547 0.1547 0.1638 0.1638 0.2884 0.2884 0.3432 0.3432 0.3581 0.3581 0.5808 0.5808 0.9175 0.9175 0.9403 0.9403 9.0807 9.0807 14.1756 14.1756 14.2211 14.2211 15.1577 15.1577 15.3707 15.3707 k = 0.0526 0.0296 0.0207 ( 3539 PWs) bands (ev): -20.8531 -20.8531 -19.6591 -19.6591 -19.6341 -19.6341 -19.6326 -19.6326 -19.2636 -19.2636 -19.2635 -19.2635 -5.9045 -5.9045 -3.6060 -3.6060 -3.5988 -3.5988 -3.4627 -3.4627 -2.1274 -2.1274 -2.0559 -2.0559 -2.0338 -2.0338 -1.4254 -1.4254 -1.4210 -1.4210 -0.1352 -0.1352 0.1635 0.1635 0.1731 0.1731 0.2986 0.2986 0.3508 0.3508 0.3577 0.3577 0.5826 0.5826 0.9225 0.9225 0.9453 0.9453 9.0560 9.0560 14.1811 14.1811 14.2088 14.2088 15.1707 15.1707 15.3555 15.3555 k = 0.0395 0.0222 0.0155 ( 3530 PWs) bands (ev): -20.8562 -20.8562 -19.6549 -19.6549 -19.6351 -19.6351 -19.6336 -19.6336 -19.2624 -19.2624 -19.2623 -19.2623 -5.9132 -5.9132 -3.6120 -3.6120 -3.6048 -3.6048 -3.4568 -3.4568 -2.1303 -2.1303 -2.0611 -2.0611 -2.0392 -2.0392 -1.4203 -1.4203 -1.4162 -1.4162 -0.1379 -0.1379 0.1703 0.1703 0.1804 0.1804 0.3042 0.3042 0.3574 0.3574 0.3593 0.3593 0.5841 0.5841 0.9265 0.9265 0.9492 0.9492 9.0367 9.0367 14.1850 14.1850 14.1992 14.1992 15.1814 15.1814 15.3437 15.3437 k = 0.0263 0.0148 0.0104 ( 3539 PWs) bands (ev): -20.8585 -20.8585 -19.6520 -19.6520 -19.6358 -19.6358 -19.6343 -19.6343 -19.2615 -19.2615 -19.2614 -19.2614 -5.9194 -5.9194 -3.6164 -3.6164 -3.6092 -3.6092 -3.4525 -3.4525 -2.1325 -2.1325 -2.0648 -2.0648 -2.0430 -2.0430 -1.4168 -1.4168 -1.4127 -1.4127 -0.1399 -0.1399 0.1752 0.1752 0.1856 0.1856 0.3070 0.3070 0.3572 0.3572 0.3665 0.3665 0.5851 0.5851 0.9293 0.9293 0.9520 0.9520 9.0229 9.0229 14.1875 14.1875 14.1923 14.1923 15.1894 15.1894 15.3353 15.3353 k = 0.0132 0.0074 0.0052 ( 3539 PWs) bands (ev): -20.8599 -20.8599 -19.6502 -19.6502 -19.6362 -19.6362 -19.6348 -19.6348 -19.2610 -19.2610 -19.2609 -19.2609 -5.9231 -5.9231 -3.6190 -3.6190 -3.6118 -3.6118 -3.4500 -3.4500 -2.1338 -2.1338 -2.0670 -2.0670 -2.0453 -2.0453 -1.4146 -1.4146 -1.4107 -1.4107 -0.1410 -0.1410 0.1781 0.1781 0.1887 0.1887 0.3084 0.3084 0.3571 0.3571 0.3713 0.3713 0.5857 0.5857 0.9310 0.9310 0.9537 0.9537 9.0146 9.0146 14.1881 14.1881 14.1889 14.1889 15.1943 15.1943 15.3303 15.3303 k = 0.0000 0.0000 0.0000 ( 3539 PWs) bands (ev): -20.8604 -20.8604 -19.6496 -19.6496 -19.6363 -19.6363 -19.6349 -19.6349 -19.2608 -19.2608 -19.2607 -19.2607 -5.9244 -5.9244 -3.6199 -3.6199 -3.6127 -3.6127 -3.4491 -3.4491 -2.1342 -2.1342 -2.0677 -2.0677 -2.0461 -2.0461 -1.4139 -1.4139 -1.4100 -1.4100 -0.1414 -0.1414 0.1791 0.1791 0.1897 0.1897 0.3087 0.3087 0.3571 0.3571 0.3729 0.3729 0.5859 0.5859 0.9316 0.9316 0.9543 0.9543 9.0118 9.0118 14.1867 14.1867 14.1894 14.1894 15.1960 15.1960 15.3286 15.3286 k = 0.0000 0.0000 0.0000 ( 3539 PWs) bands (ev): -20.8604 -20.8604 -19.6496 -19.6496 -19.6363 -19.6363 -19.6349 -19.6349 -19.2608 -19.2608 -19.2607 -19.2607 -5.9244 -5.9244 -3.6199 -3.6199 -3.6127 -3.6127 -3.4491 -3.4491 -2.1342 -2.1342 -2.0677 -2.0677 -2.0461 -2.0461 -1.4139 -1.4139 -1.4100 -1.4100 -0.1414 -0.1414 0.1791 0.1791 0.1897 0.1897 0.3087 0.3087 0.3571 0.3571 0.3729 0.3729 0.5859 0.5859 0.9316 0.9316 0.9543 0.9543 9.0118 9.0118 14.1867 14.1867 14.1894 14.1894 15.1960 15.1960 15.3286 15.3286 k = 0.0078-0.0047-0.0130 ( 3539 PWs) bands (ev): -20.8599 -20.8599 -19.6495 -19.6495 -19.6366 -19.6366 -19.6351 -19.6351 -19.2610 -19.2610 -19.2608 -19.2608 -5.9233 -5.9233 -3.6198 -3.6198 -3.6126 -3.6126 -3.4486 -3.4486 -2.1334 -2.1334 -2.0671 -2.0671 -2.0455 -2.0455 -1.4146 -1.4146 -1.4106 -1.4106 -0.1417 -0.1417 0.1789 0.1789 0.1895 0.1895 0.3075 0.3075 0.3555 0.3555 0.3724 0.3724 0.5866 0.5866 0.9313 0.9313 0.9540 0.9540 9.0145 9.0145 14.1861 14.1861 14.1907 14.1907 15.1966 15.1966 15.3278 15.3278 k = 0.0155-0.0094-0.0260 ( 3533 PWs) bands (ev): -20.8586 -20.8586 -19.6491 -19.6491 -19.6376 -19.6376 -19.6353 -19.6353 -19.2618 -19.2618 -19.2610 -19.2610 -5.9202 -5.9202 -3.6203 -3.6203 -3.6118 -3.6118 -3.4469 -3.4469 -2.1309 -2.1309 -2.0655 -2.0655 -2.0434 -2.0434 -1.4170 -1.4170 -1.4124 -1.4124 -0.1426 -0.1426 0.1781 0.1781 0.1890 0.1890 0.3034 0.3034 0.3508 0.3508 0.3711 0.3711 0.5885 0.5885 0.9304 0.9304 0.9531 0.9531 9.0226 9.0226 14.1843 14.1843 14.1945 14.1945 15.1981 15.1981 15.3227 15.3227 k = 0.0233-0.0142-0.0389 ( 3529 PWs) bands (ev): -20.8564 -20.8564 -19.6485 -19.6485 -19.6398 -19.6398 -19.6352 -19.6352 -19.2631 -19.2631 -19.2613 -19.2613 -5.9151 -5.9151 -3.6222 -3.6222 -3.6094 -3.6094 -3.4441 -3.4441 -2.1269 -2.1269 -2.0631 -2.0631 -2.0395 -2.0395 -1.4216 -1.4216 -1.4147 -1.4147 -0.1441 -0.1441 0.1765 0.1765 0.1886 0.1886 0.2957 0.2957 0.3440 0.3440 0.3693 0.3693 0.5913 0.5913 0.9288 0.9288 0.9516 0.9516 9.0360 9.0360 14.1814 14.1814 14.2008 14.2008 15.2003 15.2003 15.3102 15.3102 k = 0.0310-0.0189-0.0519 ( 3529 PWs) bands (ev): -20.8534 -20.8534 -19.6478 -19.6478 -19.6428 -19.6428 -19.6348 -19.6348 -19.2650 -19.2650 -19.2618 -19.2618 -5.9079 -5.9079 -3.6255 -3.6255 -3.6055 -3.6055 -3.4401 -3.4401 -2.1212 -2.1212 -2.0606 -2.0606 -2.0333 -2.0333 -1.4285 -1.4285 -1.4175 -1.4175 -0.1463 -0.1463 0.1736 0.1736 0.1884 0.1884 0.2832 0.2832 0.3365 0.3365 0.3671 0.3671 0.5947 0.5947 0.9267 0.9267 0.9495 0.9495 9.0548 9.0548 14.1775 14.1775 14.2095 14.2095 15.2024 15.2024 15.2909 15.2909 k = 0.0388-0.0236-0.0649 ( 3529 PWs) bands (ev): -20.8495 -20.8495 -19.6478 -19.6478 -19.6462 -19.6462 -19.6339 -19.6339 -19.2674 -19.2674 -19.2624 -19.2624 -5.8987 -5.8987 -3.6300 -3.6300 -3.6002 -3.6002 -3.4349 -3.4349 -2.1141 -2.1141 -2.0582 -2.0582 -2.0245 -2.0245 -1.4374 -1.4374 -1.4209 -1.4209 -0.1493 -0.1493 0.1694 0.1694 0.1885 0.1885 0.2658 0.2658 0.3293 0.3293 0.3646 0.3646 0.5983 0.5983 0.9237 0.9237 0.9469 0.9469 9.0787 9.0787 14.1728 14.1728 14.2204 14.2204 15.2040 15.2040 15.2659 15.2659 k = 0.0466-0.0283-0.0779 ( 3531 PWs) bands (ev): -20.8448 -20.8448 -19.6520 -19.6520 -19.6465 -19.6465 -19.6326 -19.6326 -19.2704 -19.2704 -19.2631 -19.2631 -5.8875 -5.8875 -3.6357 -3.6357 -3.5937 -3.5937 -3.4285 -3.4285 -2.1054 -2.1054 -2.0560 -2.0560 -2.0130 -2.0130 -1.4484 -1.4484 -1.4250 -1.4250 -0.1531 -0.1531 0.1639 0.1639 0.1885 0.1885 0.2439 0.2439 0.3227 0.3227 0.3618 0.3618 0.6018 0.6018 0.9200 0.9200 0.9439 0.9439 9.1079 9.1079 14.1675 14.1675 14.2332 14.2332 15.2039 15.2039 15.2371 15.2371 k = 0.0543-0.0331-0.0908 ( 3531 PWs) bands (ev): -20.8392 -20.8392 -19.6576 -19.6576 -19.6465 -19.6465 -19.6305 -19.6305 -19.2738 -19.2738 -19.2639 -19.2639 -5.8743 -5.8743 -3.6425 -3.6425 -3.5862 -3.5862 -3.4207 -3.4207 -2.0954 -2.0954 -2.0538 -2.0538 -1.9989 -1.9989 -1.4615 -1.4615 -1.4296 -1.4296 -0.1579 -0.1579 0.1571 0.1571 0.1871 0.1871 0.2200 0.2200 0.3163 0.3163 0.3587 0.3587 0.6049 0.6049 0.9155 0.9155 0.9405 0.9405 9.1420 9.1420 14.1617 14.1617 14.2477 14.2477 15.1916 15.1916 15.2155 15.2155 k = 0.0621-0.0378-0.1038 ( 3529 PWs) bands (ev): -20.8327 -20.8327 -19.6642 -19.6642 -19.6467 -19.6467 -19.6278 -19.6278 -19.2778 -19.2778 -19.2649 -19.2649 -5.8591 -5.8591 -3.6503 -3.6503 -3.5777 -3.5777 -3.4114 -3.4114 -2.0841 -2.0841 -2.0514 -2.0514 -1.9825 -1.9825 -1.4764 -1.4764 -1.4349 -1.4349 -0.1640 -0.1640 0.1484 0.1484 0.1766 0.1766 0.2028 0.2028 0.3098 0.3098 0.3554 0.3554 0.6076 0.6076 0.9100 0.9100 0.9368 0.9368 9.1811 9.1811 14.1556 14.1556 14.2636 14.2636 15.1558 15.1558 15.2132 15.2132 k = 0.0699-0.0425-0.1168 ( 3535 PWs) bands (ev): -20.8255 -20.8255 -19.6716 -19.6716 -19.6473 -19.6473 -19.6244 -19.6244 -19.2822 -19.2822 -19.2660 -19.2660 -5.8419 -5.8419 -3.6592 -3.6592 -3.5684 -3.5684 -3.4006 -3.4006 -2.0717 -2.0717 -2.0487 -2.0487 -1.9639 -1.9639 -1.4933 -1.4933 -1.4407 -1.4407 -0.1716 -0.1716 0.1351 0.1351 0.1541 0.1541 0.1990 0.1990 0.3030 0.3030 0.3520 0.3520 0.6096 0.6096 0.9037 0.9037 0.9327 0.9327 9.2249 9.2249 14.1494 14.1494 14.2804 14.2804 15.1128 15.1128 15.2150 15.2150 k = 0.0776-0.0472-0.1298 ( 3533 PWs) bands (ev): -20.8174 -20.8174 -19.6798 -19.6798 -19.6482 -19.6482 -19.6204 -19.6204 -19.2872 -19.2872 -19.2673 -19.2673 -5.8229 -5.8229 -3.6690 -3.6690 -3.5584 -3.5584 -3.3883 -3.3883 -2.0590 -2.0590 -2.0447 -2.0447 -1.9431 -1.9431 -1.5121 -1.5121 -1.4469 -1.4469 -0.1812 -0.1812 0.1091 0.1091 0.1380 0.1380 0.1990 0.1990 0.2957 0.2957 0.3485 0.3485 0.6109 0.6109 0.8964 0.8964 0.9283 0.9283 9.2733 9.2733 14.1432 14.1432 14.2978 14.2978 15.0657 15.0657 15.2186 15.2186 k = 0.0854-0.0520-0.1427 ( 3531 PWs) bands (ev): -20.8085 -20.8085 -19.6888 -19.6888 -19.6492 -19.6492 -19.6159 -19.6159 -19.2925 -19.2925 -19.2687 -19.2687 -5.8020 -5.8020 -3.6798 -3.6798 -3.5477 -3.5477 -3.3742 -3.3742 -2.0494 -2.0494 -2.0361 -2.0361 -1.9204 -1.9204 -1.5326 -1.5326 -1.4536 -1.4536 -0.1935 -0.1935 0.0761 0.0761 0.1265 0.1265 0.1994 0.1994 0.2881 0.2881 0.3452 0.3452 0.6115 0.6115 0.8882 0.8882 0.9236 0.9236 9.3263 9.3263 14.1370 14.1370 14.3153 14.3153 15.0152 15.0152 15.2243 15.2243 k = 0.0931-0.0567-0.1557 ( 3535 PWs) bands (ev): -20.7988 -20.7988 -19.6985 -19.6985 -19.6505 -19.6505 -19.6110 -19.6110 -19.2984 -19.2984 -19.2703 -19.2703 -5.7792 -5.7792 -3.6915 -3.6915 -3.5366 -3.5366 -3.3584 -3.3584 -2.0444 -2.0444 -2.0215 -2.0215 -1.8961 -1.8961 -1.5550 -1.5550 -1.4604 -1.4604 -0.2091 -0.2091 0.0420 0.0420 0.1154 0.1154 0.1997 0.1997 0.2799 0.2799 0.3422 0.3422 0.6113 0.6113 0.8792 0.8792 0.9184 0.9184 9.3835 9.3835 14.1310 14.1310 14.3325 14.3325 14.9618 14.9618 15.2327 15.2327 k = 0.1009-0.0614-0.1687 ( 3535 PWs) bands (ev): -20.7883 -20.7883 -19.7090 -19.7090 -19.6519 -19.6519 -19.6055 -19.6055 -19.3047 -19.3047 -19.2720 -19.2720 -5.7546 -5.7546 -3.7042 -3.7042 -3.5250 -3.5250 -3.3408 -3.3408 -2.0406 -2.0406 -2.0042 -2.0042 -1.8703 -1.8703 -1.5791 -1.5791 -1.4672 -1.4672 -0.2293 -0.2293 0.0090 0.0090 0.1041 0.1041 0.1994 0.1994 0.2714 0.2714 0.3397 0.3397 0.6103 0.6103 0.8693 0.8693 0.9129 0.9129 9.4448 9.4448 14.1250 14.1250 14.3488 14.3488 14.9058 14.9058 15.2443 15.2443 k = 0.1087-0.0661-0.1817 ( 3535 PWs) bands (ev): -20.7770 -20.7770 -19.7201 -19.7201 -19.6535 -19.6535 -19.5997 -19.5997 -19.3114 -19.3114 -19.2738 -19.2738 -5.7283 -5.7283 -3.7177 -3.7177 -3.5130 -3.5130 -3.3214 -3.3214 -2.0370 -2.0370 -1.9853 -1.9853 -1.8434 -1.8434 -1.6047 -1.6047 -1.4738 -1.4738 -0.2549 -0.2549 -0.0215 -0.0215 0.0924 0.0924 0.1982 0.1982 0.2625 0.2625 0.3379 0.3379 0.6086 0.6086 0.8586 0.8586 0.9070 0.9070 9.5102 9.5102 14.1190 14.1190 14.3641 14.3641 14.8476 14.8476 15.2596 15.2596 k = 0.1164-0.0709-0.1946 ( 3539 PWs) bands (ev): -20.7650 -20.7650 -19.7318 -19.7318 -19.6552 -19.6552 -19.5934 -19.5934 -19.3186 -19.3186 -19.2759 -19.2759 -5.7003 -5.7003 -3.7321 -3.7321 -3.5007 -3.5007 -3.3001 -3.3001 -2.0332 -2.0332 -1.9653 -1.9653 -1.8160 -1.8160 -1.6319 -1.6319 -1.4796 -1.4796 -0.2866 -0.2866 -0.0484 -0.0484 0.0804 0.0804 0.1957 0.1957 0.2534 0.2534 0.3371 0.3371 0.6060 0.6060 0.8471 0.8471 0.9006 0.9006 9.5793 9.5793 14.1129 14.1129 14.3778 14.3778 14.7874 14.7874 15.2792 15.2792 k = 0.1242-0.0756-0.2076 ( 3539 PWs) bands (ev): -20.7522 -20.7522 -19.7442 -19.7442 -19.6570 -19.6570 -19.5867 -19.5867 -19.3261 -19.3261 -19.2781 -19.2781 -5.6706 -5.6706 -3.7473 -3.7473 -3.4881 -3.4881 -3.2771 -3.2771 -2.0292 -2.0292 -1.9442 -1.9442 -1.7889 -1.7889 -1.6603 -1.6603 -1.4839 -1.4839 -0.3245 -0.3245 -0.0717 -0.0717 0.0680 0.0680 0.1917 0.1917 0.2441 0.2441 0.3373 0.3373 0.6027 0.6027 0.8349 0.8349 0.8937 0.8937 9.6520 9.6520 14.1065 14.1065 14.3900 14.3900 14.7255 14.7255 15.3033 15.3033 k = 0.1320-0.0803-0.2206 ( 3535 PWs) bands (ev): -20.7387 -20.7387 -19.7572 -19.7572 -19.6589 -19.6589 -19.5797 -19.5797 -19.3340 -19.3340 -19.2804 -19.2804 -5.6392 -5.6392 -3.7634 -3.7634 -3.4752 -3.4752 -3.2522 -3.2522 -2.0250 -2.0250 -1.9223 -1.9223 -1.7634 -1.7634 -1.6894 -1.6894 -1.4859 -1.4859 -0.3680 -0.3680 -0.0916 -0.0916 0.0555 0.0555 0.1860 0.1860 0.2349 0.2349 0.3389 0.3389 0.5987 0.5987 0.8220 0.8220 0.8863 0.8863 9.7282 9.7282 14.0996 14.0996 14.4007 14.4007 14.6621 14.6621 15.3321 15.3321 k = 0.1397-0.0850-0.2336 ( 3527 PWs) bands (ev): -20.7245 -20.7245 -19.7707 -19.7707 -19.6609 -19.6609 -19.5723 -19.5723 -19.3422 -19.3422 -19.2830 -19.2830 -5.6063 -5.6063 -3.7802 -3.7802 -3.4620 -3.4620 -3.2256 -3.2256 -2.0206 -2.0206 -1.8998 -1.8998 -1.7448 -1.7448 -1.7151 -1.7151 -1.4841 -1.4841 -0.4162 -0.4162 -0.1089 -0.1089 0.0428 0.0428 0.1784 0.1784 0.2256 0.2256 0.3417 0.3417 0.5939 0.5939 0.8083 0.8083 0.8784 0.8784 9.8076 9.8076 14.0918 14.0918 14.4101 14.4101 14.5974 14.5974 15.3657 15.3657 k = 0.1475-0.0897-0.2466 ( 3535 PWs) bands (ev): -20.7095 -20.7095 -19.7847 -19.7847 -19.6630 -19.6630 -19.5647 -19.5647 -19.3507 -19.3507 -19.2857 -19.2857 -5.5719 -5.5719 -3.7978 -3.7978 -3.4485 -3.4485 -3.1974 -3.1974 -2.0162 -2.0162 -1.8771 -1.8771 -1.7593 -1.7593 -1.7125 -1.7125 -1.4769 -1.4769 -0.4681 -0.4681 -0.1245 -0.1245 0.0300 0.0300 0.1691 0.1691 0.2164 0.2164 0.3458 0.3458 0.5884 0.5884 0.7940 0.7940 0.8699 0.8699 9.8901 9.8901 14.0830 14.0830 14.4185 14.4185 14.5317 14.5317 15.4039 15.4039 k = 0.1552-0.0945-0.2595 ( 3531 PWs) bands (ev): -20.6939 -20.6939 -19.7991 -19.7991 -19.6652 -19.6652 -19.5566 -19.5566 -19.3596 -19.3596 -19.2886 -19.2886 -5.5359 -5.5359 -3.8161 -3.8161 -3.4347 -3.4347 -3.1675 -3.1675 -2.0120 -2.0120 -1.8551 -1.8551 -1.7892 -1.7892 -1.6992 -1.6992 -1.4627 -1.4627 -0.5228 -0.5228 -0.1390 -0.1390 0.0173 0.0173 0.1583 0.1583 0.2070 0.2070 0.3512 0.3512 0.5822 0.5822 0.7791 0.7791 0.8608 0.8608 9.9755 9.9755 14.0727 14.0727 14.4262 14.4262 14.4650 14.4650 15.4465 15.4465 k = 0.1630-0.0992-0.2725 ( 3531 PWs) bands (ev): -20.6777 -20.6777 -19.8140 -19.8140 -19.6675 -19.6675 -19.5484 -19.5484 -19.3687 -19.3687 -19.2917 -19.2917 -5.4986 -5.4986 -3.8351 -3.8351 -3.4205 -3.4205 -3.1362 -3.1362 -2.0083 -2.0083 -1.8406 -1.8406 -1.8141 -1.8141 -1.6894 -1.6894 -1.4411 -1.4411 -0.5796 -0.5796 -0.1529 -0.1529 0.0047 0.0047 0.1461 0.1461 0.1974 0.1974 0.3578 0.3578 0.5753 0.5753 0.7635 0.7635 0.8511 0.8511 10.0636 10.0636 14.0608 14.0608 14.3976 14.3976 14.4339 14.4339 15.4931 15.4931 k = 0.1708-0.1039-0.2855 ( 3531 PWs) bands (ev): -20.6608 -20.6608 -19.8293 -19.8293 -19.6698 -19.6698 -19.5398 -19.5398 -19.3781 -19.3781 -19.2950 -19.2950 -5.4599 -5.4599 -3.8548 -3.8548 -3.4061 -3.4061 -3.1034 -3.1034 -2.0063 -2.0063 -1.8600 -1.8600 -1.8069 -1.8069 -1.6823 -1.6823 -1.4124 -1.4124 -0.6381 -0.6381 -0.1666 -0.1666 -0.0077 -0.0077 0.1328 0.1328 0.1875 0.1875 0.3655 0.3655 0.5678 0.5678 0.7474 0.7474 0.8409 0.8409 10.1544 10.1544 14.0470 14.0470 14.3295 14.3295 14.4419 14.4419 15.5433 15.5433 k = 0.1785-0.1086-0.2985 ( 3529 PWs) bands (ev): -20.6433 -20.6433 -19.8450 -19.8450 -19.6722 -19.6722 -19.5310 -19.5310 -19.3877 -19.3877 -19.2985 -19.2985 -5.4199 -5.4199 -3.8751 -3.8751 -3.3912 -3.3912 -3.0693 -3.0693 -2.0077 -2.0077 -1.8875 -1.8875 -1.7931 -1.7931 -1.6749 -1.6749 -1.3780 -1.3780 -0.6978 -0.6978 -0.1803 -0.1803 -0.0199 -0.0199 0.1185 0.1185 0.1772 0.1772 0.3741 0.3741 0.5596 0.5596 0.7306 0.7306 0.8300 0.8300 10.2476 10.2476 14.0311 14.0311 14.2611 14.2611 14.4506 14.4506 15.5967 15.5967 k = 0.1863-0.1134-0.3114 ( 3529 PWs) bands (ev): -20.6253 -20.6253 -19.8609 -19.8609 -19.6747 -19.6747 -19.5220 -19.5220 -19.3976 -19.3976 -19.3022 -19.3022 -5.3786 -5.3786 -3.8960 -3.8960 -3.3761 -3.3761 -3.0339 -3.0339 -2.0165 -2.0165 -1.9094 -1.9094 -1.7856 -1.7856 -1.6632 -1.6632 -1.3390 -1.3390 -0.7582 -0.7582 -0.1943 -0.1943 -0.0318 -0.0318 0.1035 0.1035 0.1666 0.1666 0.3836 0.3836 0.5507 0.5507 0.7133 0.7133 0.8184 0.8184 10.3431 10.3431 14.0132 14.0132 14.1923 14.1923 14.4604 14.4604 15.6528 15.6528 k = 0.1940-0.1181-0.3244 ( 3527 PWs) bands (ev): -20.6066 -20.6066 -19.8771 -19.8771 -19.6772 -19.6772 -19.5127 -19.5127 -19.4076 -19.4076 -19.3061 -19.3061 -5.3361 -5.3361 -3.9175 -3.9175 -3.3606 -3.3606 -2.9972 -2.9972 -2.0360 -2.0360 -1.9210 -1.9210 -1.7862 -1.7862 -1.6454 -1.6454 -1.2966 -1.2966 -0.8192 -0.8192 -0.2086 -0.2086 -0.0434 -0.0434 0.0877 0.0877 0.1556 0.1556 0.3940 0.3940 0.5413 0.5413 0.6955 0.6955 0.8063 0.8063 10.4407 10.4407 13.9932 13.9932 14.1233 14.1233 14.4713 14.4713 15.7111 15.7111 k = 0.2018-0.1228-0.3374 ( 3531 PWs) bands (ev): -20.5875 -20.5875 -19.8935 -19.8935 -19.6797 -19.6797 -19.5033 -19.5033 -19.4178 -19.4178 -19.3103 -19.3103 -5.2925 -5.2925 -3.9396 -3.9396 -3.3448 -3.3448 -2.9596 -2.9596 -2.0652 -2.0652 -1.9232 -1.9232 -1.7938 -1.7938 -1.6221 -1.6221 -1.2516 -1.2516 -0.8803 -0.8803 -0.2233 -0.2233 -0.0547 -0.0547 0.0714 0.0714 0.1443 0.1443 0.4051 0.4051 0.5312 0.5312 0.6773 0.6773 0.7934 0.7934 10.5403 10.5403 13.9712 13.9712 14.0543 14.0543 14.4834 14.4834 15.7711 15.7711 k = 0.2096-0.1275-0.3504 ( 3529 PWs) bands (ev): -20.5678 -20.5678 -19.9101 -19.9101 -19.6823 -19.6823 -19.4937 -19.4937 -19.4281 -19.4281 -19.3147 -19.3147 -5.2477 -5.2477 -3.9622 -3.9622 -3.3287 -3.3287 -2.9208 -2.9208 -2.1004 -2.1004 -1.9195 -1.9195 -1.8063 -1.8063 -1.5948 -1.5948 -1.2045 -1.2045 -0.9415 -0.9415 -0.2383 -0.2383 -0.0657 -0.0657 0.0545 0.0545 0.1326 0.1326 0.4169 0.4169 0.5204 0.5204 0.6587 0.6587 0.7799 0.7799 10.6418 10.6418 13.9472 13.9472 13.9854 13.9854 14.4968 14.4968 15.8325 15.8325 k = 0.2173-0.1323-0.3633 ( 3525 PWs) bands (ev): -20.5476 -20.5476 -19.9268 -19.9268 -19.6849 -19.6849 -19.4840 -19.4840 -19.4385 -19.4385 -19.3193 -19.3193 -5.2020 -5.2020 -3.9853 -3.9853 -3.3123 -3.3123 -2.8811 -2.8811 -2.1389 -2.1389 -1.9126 -1.9126 -1.8223 -1.8223 -1.5650 -1.5650 -1.1557 -1.1557 -1.0025 -1.0025 -0.2538 -0.2538 -0.0764 -0.0764 0.0372 0.0372 0.1207 0.1207 0.4293 0.4293 0.5090 0.5090 0.6398 0.6398 0.7658 0.7658 10.7451 10.7451 13.9144 13.9144 13.9238 13.9238 14.5114 14.5114 15.8947 15.8947 k = 0.2251-0.1370-0.3763 ( 3529 PWs) bands (ev): -20.5270 -20.5270 -19.9437 -19.9437 -19.6876 -19.6876 -19.4741 -19.4741 -19.4490 -19.4490 -19.3241 -19.3241 -5.1552 -5.1552 -4.0089 -4.0089 -3.2956 -3.2956 -2.8406 -2.8406 -2.1792 -2.1792 -1.9037 -1.9037 -1.8405 -1.8405 -1.5334 -1.5334 -1.1057 -1.1057 -1.0630 -1.0630 -0.2695 -0.2695 -0.0869 -0.0869 0.0194 0.0194 0.1086 0.1086 0.4423 0.4423 0.4969 0.4969 0.6208 0.6208 0.7509 0.7509 10.8499 10.8499 13.8471 13.8471 13.8955 13.8955 14.5271 14.5271 15.9575 15.9575 k = 0.2329-0.1417-0.3893 ( 3529 PWs) bands (ev): -20.5059 -20.5059 -19.9605 -19.9605 -19.6902 -19.6902 -19.4642 -19.4642 -19.4595 -19.4595 -19.3292 -19.3292 -5.1075 -5.1075 -4.0329 -4.0329 -3.2786 -3.2786 -2.7994 -2.7994 -2.2207 -2.2207 -1.8943 -1.8943 -1.8598 -1.8598 -1.5006 -1.5006 -1.1230 -1.1230 -1.0546 -1.0546 -0.2856 -0.2856 -0.0971 -0.0971 0.0013 0.0013 0.0962 0.0962 0.4556 0.4556 0.4841 0.4841 0.6016 0.6016 0.7354 0.7354 10.9563 10.9563 13.7789 13.7789 13.8673 13.8673 14.5436 14.5436 16.0202 16.0202 k = 0.2406-0.1464-0.4023 ( 3523 PWs) bands (ev): -20.4845 -20.4845 -19.9774 -19.9774 -19.6929 -19.6929 -19.4701 -19.4701 -19.4543 -19.4543 -19.3345 -19.3345 -5.0590 -5.0590 -4.0573 -4.0573 -3.2614 -3.2614 -2.7575 -2.7575 -2.2629 -2.2629 -1.8915 -1.8915 -1.8727 -1.8727 -1.4668 -1.4668 -1.1822 -1.1822 -1.0028 -1.0028 -0.3019 -0.3019 -0.1072 -0.1072 -0.0172 -0.0172 0.0837 0.0837 0.4662 0.4662 0.4736 0.4736 0.5827 0.5827 0.7193 0.7193 11.0641 11.0641 13.7111 13.7111 13.8381 13.8381 14.5608 14.5608 16.0827 16.0827 k = 0.2484-0.1512-0.4153 ( 3520 PWs) bands (ev): -20.4626 -20.4626 -19.9943 -19.9943 -19.6956 -19.6956 -19.4807 -19.4807 -19.4443 -19.4443 -19.3401 -19.3401 -5.0096 -5.0096 -4.0821 -4.0821 -3.2440 -3.2440 -2.7151 -2.7151 -2.3054 -2.3054 -1.9097 -1.9097 -1.8650 -1.8650 -1.4323 -1.4323 -1.2405 -1.2405 -0.9504 -0.9504 -0.3184 -0.3184 -0.1171 -0.1171 -0.0360 -0.0360 0.0712 0.0712 0.4541 0.4541 0.4852 0.4852 0.5640 0.5640 0.7025 0.7025 11.1732 11.1732 13.6437 13.6437 13.8081 13.8081 14.5785 14.5785 16.1446 16.1446 k = 0.2561-0.1559-0.4282 ( 3518 PWs) bands (ev): -20.4404 -20.4404 -20.0111 -20.0111 -19.6983 -19.6983 -19.4912 -19.4912 -19.4344 -19.4344 -19.3458 -19.3458 -4.9595 -4.9595 -4.1072 -4.1072 -3.2265 -3.2265 -2.6723 -2.6723 -2.3480 -2.3480 -1.9331 -1.9331 -1.8522 -1.8522 -1.3973 -1.3973 -1.2977 -1.2977 -0.8977 -0.8977 -0.3350 -0.3350 -0.1270 -0.1270 -0.0551 -0.0551 0.0586 0.0586 0.4380 0.4380 0.4998 0.4998 0.5459 0.5459 0.6850 0.6850 11.2834 11.2834 13.5770 13.5770 13.7776 13.7776 14.5965 14.5965 16.2054 16.2054 k = 0.2639-0.1606-0.4412 ( 3510 PWs) bands (ev): -20.4179 -20.4179 -20.0278 -20.0278 -19.7009 -19.7009 -19.5017 -19.5017 -19.4246 -19.4246 -19.3517 -19.3517 -4.9086 -4.9086 -4.1325 -4.1325 -3.2089 -3.2089 -2.6292 -2.6292 -2.3907 -2.3907 -1.9578 -1.9578 -1.8380 -1.8380 -1.3627 -1.3627 -1.3529 -1.3529 -0.8448 -0.8448 -0.3515 -0.3515 -0.1368 -0.1368 -0.0744 -0.0744 0.0460 0.0460 0.4204 0.4204 0.5147 0.5147 0.5288 0.5288 0.6670 0.6670 11.3947 11.3947 13.5110 13.5110 13.7466 13.7466 14.6145 14.6145 16.2647 16.2647 k = 0.2717-0.1653-0.4542 ( 3516 PWs) bands (ev): -20.3952 -20.3952 -20.0443 -20.0443 -19.7036 -19.7036 -19.5122 -19.5122 -19.4151 -19.4151 -19.3577 -19.3577 -4.8571 -4.8571 -4.1581 -4.1581 -3.1911 -3.1911 -2.5861 -2.5861 -2.4331 -2.4331 -1.9834 -1.9834 -1.8231 -1.8231 -1.4085 -1.4085 -1.3259 -1.3259 -0.7920 -0.7920 -0.3681 -0.3681 -0.1466 -0.1466 -0.0938 -0.0938 0.0334 0.0334 0.4014 0.4014 0.5116 0.5116 0.5306 0.5306 0.6486 0.6486 11.5070 11.5070 13.4459 13.4459 13.7154 13.7154 14.6324 14.6324 16.2412 16.2412 k = 0.2794-0.1700-0.4672 ( 3508 PWs) bands (ev): -20.3721 -20.3721 -20.0607 -20.0607 -19.7062 -19.7062 -19.5225 -19.5225 -19.4061 -19.4061 -19.3634 -19.3634 -4.8049 -4.8049 -4.1838 -4.1838 -3.1734 -3.1734 -2.5432 -2.5432 -2.4752 -2.4752 -2.0093 -2.0093 -1.8075 -1.8075 -1.4616 -1.4616 -1.2901 -1.2901 -0.7395 -0.7395 -0.3845 -0.3845 -0.1564 -0.1564 -0.1133 -0.1133 0.0210 0.0210 0.3809 0.3809 0.4962 0.4962 0.5456 0.5456 0.6299 0.6299 11.6202 11.6202 13.3817 13.3817 13.6840 13.6840 14.6500 14.6500 16.1674 16.1674 k = 0.2872-0.1748-0.4801 ( 3512 PWs) bands (ev): -20.3489 -20.3489 -20.0769 -20.0769 -19.7089 -19.7089 -19.5327 -19.5327 -19.3986 -19.3986 -19.3681 -19.3681 -4.7522 -4.7522 -4.2097 -4.2097 -3.1556 -3.1556 -2.5171 -2.5171 -2.5006 -2.5006 -2.0353 -2.0353 -1.7915 -1.7915 -1.5128 -1.5128 -1.2541 -1.2541 -0.6875 -0.6875 -0.4008 -0.4008 -0.1664 -0.1664 -0.1327 -0.1327 0.0089 0.0089 0.3591 0.3591 0.4816 0.4816 0.5596 0.5596 0.6120 0.6120 11.7342 11.7342 13.3185 13.3185 13.6528 13.6528 14.6670 14.6670 16.0954 16.0954 k = 0.2949-0.1795-0.4931 ( 3512 PWs) bands (ev): -20.3254 -20.3254 -20.0928 -20.0928 -19.7114 -19.7114 -19.5428 -19.5428 -19.3947 -19.3947 -19.3696 -19.3696 -4.6990 -4.6990 -4.2356 -4.2356 -3.1380 -3.1380 -2.5581 -2.5581 -2.4596 -2.4596 -2.0608 -2.0608 -1.7755 -1.7755 -1.5619 -1.5619 -1.2181 -1.2181 -0.6363 -0.6363 -0.4168 -0.4168 -0.1766 -0.1766 -0.1519 -0.1519 -0.0029 -0.0029 0.3361 0.3361 0.4679 0.4679 0.5671 0.5671 0.6002 0.6002 11.8489 11.8489 13.2564 13.2564 13.6217 13.6217 14.6834 14.6834 16.0254 16.0254 k = 0.3027-0.1842-0.5061 ( 3510 PWs) bands (ev): -20.3018 -20.3018 -20.1084 -20.1084 -19.7140 -19.7140 -19.5527 -19.5527 -19.3966 -19.3966 -19.3658 -19.3658 -4.6454 -4.6454 -4.2615 -4.2615 -3.1204 -3.1204 -2.5984 -2.5984 -2.4206 -2.4206 -2.0848 -2.0848 -1.7604 -1.7604 -1.6078 -1.6078 -1.1823 -1.1823 -0.5864 -0.5864 -0.4325 -0.4325 -0.1872 -0.1872 -0.1704 -0.1704 -0.0143 -0.0143 0.3121 0.3121 0.4550 0.4550 0.5571 0.5571 0.6054 0.6054 11.9642 11.9642 13.1955 13.1955 13.5909 13.5909 14.6990 14.6990 15.9575 15.9575 k = 0.3105-0.1889-0.5191 ( 3514 PWs) bands (ev): -20.2780 -20.2780 -20.1237 -20.1237 -19.7165 -19.7165 -19.5624 -19.5624 -19.4023 -19.4023 -19.3586 -19.3586 -4.5913 -4.5913 -4.2874 -4.2874 -3.1031 -3.1031 -2.6380 -2.6380 -2.3855 -2.3855 -2.1056 -2.1056 -1.7490 -1.7490 -1.6477 -1.6477 -1.1466 -1.1466 -0.5384 -0.5384 -0.4478 -0.4478 -0.1989 -0.1989 -0.1874 -0.1874 -0.0251 -0.0251 0.2871 0.2871 0.4429 0.4429 0.5378 0.5378 0.6193 0.6193 12.0800 12.0800 13.1360 13.1360 13.5607 13.5607 14.7135 14.7135 15.8918 15.8918 k = 0.3182-0.1937-0.5320 ( 3514 PWs) bands (ev): -20.2542 -20.2542 -20.1387 -20.1387 -19.7189 -19.7189 -19.5720 -19.5720 -19.4098 -19.4098 -19.3502 -19.3502 -4.5369 -4.5369 -4.3131 -4.3131 -3.0860 -3.0860 -2.6767 -2.6767 -2.3574 -2.3574 -2.1201 -2.1201 -1.7506 -1.7506 -1.6722 -1.6722 -1.1112 -1.1112 -0.4938 -0.4938 -0.4618 -0.4618 -0.2124 -0.2124 -0.2015 -0.2015 -0.0350 -0.0350 0.2616 0.2616 0.4314 0.4314 0.5162 0.5162 0.6352 0.6352 12.1963 12.1963 13.0778 13.0778 13.5310 13.5310 14.7271 14.7271 15.8283 15.8283 k = 0.3260-0.1984-0.5450 ( 3516 PWs) bands (ev): -20.2303 -20.2303 -20.1532 -20.1532 -19.7213 -19.7213 -19.5813 -19.5813 -19.4180 -19.4180 -19.3415 -19.3415 -4.4822 -4.4822 -4.3386 -4.3386 -3.0692 -3.0692 -2.7144 -2.7144 -2.3407 -2.3407 -2.1240 -2.1240 -1.7745 -1.7745 -1.6720 -1.6720 -1.0762 -1.0762 -0.4795 -0.4795 -0.4491 -0.4491 -0.2263 -0.2263 -0.2135 -0.2135 -0.0438 -0.0438 0.2355 0.2355 0.4206 0.4206 0.4934 0.4934 0.6516 0.6516 12.3128 12.3128 13.0212 13.0212 13.5021 13.5021 14.7395 14.7395 15.7671 15.7671 k = 0.3338-0.2031-0.5580 ( 3516 PWs) bands (ev): -20.2063 -20.2063 -20.1674 -20.1674 -19.7236 -19.7236 -19.5903 -19.5903 -19.4269 -19.4269 -19.3328 -19.3328 -4.4272 -4.4272 -4.3639 -4.3639 -3.0528 -3.0528 -2.7510 -2.7510 -2.3389 -2.3389 -2.1138 -2.1138 -1.8095 -1.8095 -1.6585 -1.6585 -1.0417 -1.0417 -0.4926 -0.4926 -0.4148 -0.4148 -0.2373 -0.2373 -0.2244 -0.2244 -0.0509 -0.0509 0.2092 0.2092 0.4102 0.4102 0.4699 0.4699 0.6682 0.6682 12.4294 12.4294 12.9662 12.9662 13.4741 13.4741 14.7507 14.7507 15.7083 15.7083 k = 0.3415-0.2078-0.5710 ( 3512 PWs) bands (ev): -20.1823 -20.1823 -20.1811 -20.1811 -19.7259 -19.7259 -19.5991 -19.5991 -19.4363 -19.4363 -19.3241 -19.3241 -4.3888 -4.3888 -4.3719 -4.3719 -3.0369 -3.0369 -2.7864 -2.7864 -2.3508 -2.3508 -2.0908 -2.0908 -1.8466 -1.8466 -1.6403 -1.6403 -1.0078 -1.0078 -0.5060 -0.5060 -0.3900 -0.3900 -0.2432 -0.2432 -0.2335 -0.2335 -0.0556 -0.0556 0.1827 0.1827 0.4003 0.4003 0.4458 0.4458 0.6848 0.6848 12.5460 12.5460 12.9129 12.9129 13.4473 13.4473 14.7606 14.7606 15.6520 15.6520 k = 0.3493-0.2126-0.5839 ( 3512 PWs) bands (ev): -20.1943 -20.1943 -20.1584 -20.1584 -19.7281 -19.7281 -19.6075 -19.6075 -19.4462 -19.4462 -19.3157 -19.3157 -4.4132 -4.4132 -4.3166 -4.3166 -3.0217 -3.0217 -2.8206 -2.8206 -2.3722 -2.3722 -2.0593 -2.0593 -1.8831 -1.8831 -1.6204 -1.6204 -0.9746 -0.9746 -0.5189 -0.5189 -0.3789 -0.3789 -0.2504 -0.2504 -0.2322 -0.2322 -0.0567 -0.0567 0.1563 0.1563 0.3907 0.3907 0.4214 0.4214 0.7012 0.7012 12.6622 12.6622 12.8613 12.8613 13.4219 13.4219 14.7694 14.7694 15.5981 15.5981 k = 0.3570-0.2173-0.5969 ( 3502 PWs) bands (ev): -20.2071 -20.2071 -20.1345 -20.1345 -19.7302 -19.7302 -19.6157 -19.6157 -19.4565 -19.4565 -19.3075 -19.3075 -4.4370 -4.4370 -4.2611 -4.2611 -3.0071 -3.0071 -2.8535 -2.8535 -2.3993 -2.3993 -2.0234 -2.0234 -1.9180 -1.9180 -1.5994 -1.5994 -0.9423 -0.9423 -0.5312 -0.5312 -0.3806 -0.3806 -0.2614 -0.2614 -0.2204 -0.2204 -0.0526 -0.0526 0.1302 0.1302 0.3806 0.3806 0.3975 0.3975 0.7174 0.7174 12.7776 12.7776 12.8117 12.8117 13.3985 13.3985 14.7770 14.7770 15.5468 15.5468 k = 0.3648-0.2220-0.6099 ( 3506 PWs) bands (ev): -20.2193 -20.2193 -20.1106 -20.1106 -19.7322 -19.7322 -19.6235 -19.6235 -19.4672 -19.4672 -19.2995 -19.2995 -4.4603 -4.4603 -4.2055 -4.2055 -2.9934 -2.9934 -2.8850 -2.8850 -2.4299 -2.4299 -1.9878 -1.9878 -1.9485 -1.9485 -1.5777 -1.5777 -0.9110 -0.9110 -0.5428 -0.5428 -0.3903 -0.3903 -0.2734 -0.2734 -0.2074 -0.2074 -0.0418 -0.0418 0.1044 0.1044 0.3650 0.3650 0.3791 0.3791 0.7332 0.7332 12.7640 12.7640 12.8914 12.8914 13.3778 13.3778 14.7834 14.7834 15.4981 15.4981 k = 0.3726-0.2267-0.6229 ( 3500 PWs) bands (ev): -20.2309 -20.2309 -20.0869 -20.0869 -19.7342 -19.7342 -19.6310 -19.6310 -19.4784 -19.4784 -19.2919 -19.2919 -4.4828 -4.4828 -4.1499 -4.1499 -2.9807 -2.9807 -2.9150 -2.9150 -2.4625 -2.4625 -1.9898 -1.9898 -1.9384 -1.9384 -1.5557 -1.5557 -0.8810 -0.8810 -0.5537 -0.5537 -0.4042 -0.4042 -0.2861 -0.2861 -0.1978 -0.1978 -0.0238 -0.0238 0.0794 0.0794 0.3411 0.3411 0.3691 0.3691 0.7487 0.7487 12.7184 12.7184 13.0014 13.0014 13.3620 13.3620 14.7887 14.7887 15.4520 15.4520 k = 0.6274 0.0543-0.4261 ( 3500 PWs) bands (ev): -20.2309 -20.2309 -20.0869 -20.0869 -19.7342 -19.7342 -19.6310 -19.6310 -19.4784 -19.4784 -19.2919 -19.2919 -4.4828 -4.4828 -4.1499 -4.1499 -2.9807 -2.9807 -2.9150 -2.9150 -2.4625 -2.4625 -1.9898 -1.9898 -1.9384 -1.9384 -1.5557 -1.5557 -0.8810 -0.8810 -0.5536 -0.5536 -0.4042 -0.4042 -0.2861 -0.2861 -0.1978 -0.1978 -0.0238 -0.0238 0.0794 0.0794 0.3411 0.3411 0.3691 0.3691 0.7487 0.7487 12.7184 12.7184 13.0014 13.0014 13.3620 13.3620 14.7887 14.7887 15.4520 15.4520 k = 0.6199 0.0676-0.4261 ( 3500 PWs) bands (ev): -20.2417 -20.2417 -20.0642 -20.0642 -19.7359 -19.7359 -19.6379 -19.6379 -19.4895 -19.4895 -19.2848 -19.2848 -4.5039 -4.5039 -4.0962 -4.0962 -2.9697 -2.9697 -2.9425 -2.9425 -2.4953 -2.4953 -2.0170 -2.0170 -1.9012 -1.9012 -1.5343 -1.5343 -0.8534 -0.8534 -0.5634 -0.5634 -0.4191 -0.4191 -0.2989 -0.2989 -0.1929 -0.1929 -0.0009 -0.0009 0.0560 0.0560 0.3161 0.3161 0.3615 0.3615 0.7631 0.7631 12.6764 12.6764 13.0987 13.0987 13.3567 13.3567 14.7928 14.7928 15.4100 15.4100 k = 0.6124 0.0810-0.4261 ( 3500 PWs) bands (ev): -20.2518 -20.2518 -20.0416 -20.0416 -19.7376 -19.7376 -19.6445 -19.6445 -19.5011 -19.5011 -19.2781 -19.2781 -4.5241 -4.5241 -4.0426 -4.0426 -2.9697 -2.9697 -2.9589 -2.9589 -2.5286 -2.5286 -2.0441 -2.0441 -1.8624 -1.8624 -1.5127 -1.5127 -0.8277 -0.8277 -0.5723 -0.5723 -0.4344 -0.4344 -0.3123 -0.3123 -0.1912 -0.1912 0.0239 0.0239 0.0353 0.0353 0.2905 0.2905 0.3547 0.3547 0.7771 0.7771 12.6365 12.6365 13.1732 13.1732 13.3753 13.3753 14.7961 14.7961 15.3705 15.3705 k = 0.6049 0.0943-0.4261 ( 3500 PWs) bands (ev): -20.2614 -20.2614 -20.0192 -20.0192 -19.7393 -19.7393 -19.6507 -19.6507 -19.5130 -19.5130 -19.2717 -19.2717 -4.5434 -4.5434 -3.9891 -3.9891 -2.9938 -2.9938 -2.9515 -2.9515 -2.5620 -2.5620 -2.0698 -2.0698 -1.8236 -1.8236 -1.4913 -1.4913 -0.8041 -0.8041 -0.5803 -0.5803 -0.4492 -0.4492 -0.3264 -0.3264 -0.1915 -0.1915 0.0111 0.0111 0.0549 0.0549 0.2645 0.2645 0.3485 0.3485 0.7905 0.7905 12.5988 12.5988 13.2073 13.2073 13.4353 13.4353 14.7986 14.7986 15.3335 15.3335 k = 0.5974 0.1077-0.4261 ( 3500 PWs) bands (ev): -20.2704 -20.2704 -19.9970 -19.9970 -19.7408 -19.7408 -19.6565 -19.6565 -19.5253 -19.5253 -19.2656 -19.2656 -4.5618 -4.5618 -3.9357 -3.9357 -3.0169 -3.0169 -2.9457 -2.9457 -2.5949 -2.5949 -2.0937 -2.0937 -1.7855 -1.7855 -1.4700 -1.4700 -0.7833 -0.7833 -0.5874 -0.5874 -0.4626 -0.4626 -0.3411 -0.3411 -0.1927 -0.1927 -0.0089 -0.0089 0.0834 0.0834 0.2385 0.2385 0.3427 0.3427 0.8032 0.8032 12.5633 12.5633 13.2116 13.2116 13.5261 13.5261 14.8004 14.8004 15.2991 15.2991 k = 0.5900 0.1210-0.4261 ( 3502 PWs) bands (ev): -20.2789 -20.2789 -19.9751 -19.9751 -19.7422 -19.7422 -19.6619 -19.6619 -19.5380 -19.5380 -19.2600 -19.2600 -4.5791 -4.5791 -3.8825 -3.8825 -3.0385 -3.0385 -2.9427 -2.9427 -2.6267 -2.6267 -2.1160 -2.1160 -1.7482 -1.7482 -1.4491 -1.4491 -0.7658 -0.7658 -0.5935 -0.5935 -0.4740 -0.4740 -0.3564 -0.3564 -0.1940 -0.1940 -0.0277 -0.0277 0.1112 0.1112 0.2126 0.2126 0.3375 0.3375 0.8152 0.8152 12.5301 12.5301 13.2045 13.2045 13.6292 13.6292 14.8016 14.8016 15.2672 15.2672 k = 0.5825 0.1343-0.4261 ( 3500 PWs) bands (ev): -20.2867 -20.2867 -19.9534 -19.9534 -19.7435 -19.7435 -19.6669 -19.6669 -19.5511 -19.5511 -19.2547 -19.2547 -4.5953 -4.5953 -3.8296 -3.8296 -3.0585 -3.0585 -2.9432 -2.9432 -2.6564 -2.6564 -2.1364 -2.1364 -1.7121 -1.7121 -1.4288 -1.4288 -0.7523 -0.7523 -0.5985 -0.5985 -0.4825 -0.4825 -0.3722 -0.3722 -0.1950 -0.1950 -0.0450 -0.0450 0.1366 0.1366 0.1879 0.1879 0.3327 0.3327 0.8265 0.8265 12.4993 12.4993 13.1938 13.1938 13.7370 13.7370 14.8023 14.8023 15.2378 15.2378 k = 0.5750 0.1477-0.4261 ( 3502 PWs) bands (ev): -20.2938 -20.2938 -19.9320 -19.9320 -19.7447 -19.7447 -19.6716 -19.6716 -19.5645 -19.5645 -19.2499 -19.2499 -4.6103 -4.6103 -3.7769 -3.7769 -3.0768 -3.0768 -2.9484 -2.9484 -2.6831 -2.6831 -2.1550 -2.1550 -1.6774 -1.6774 -1.4091 -1.4091 -0.7433 -0.7433 -0.6023 -0.6023 -0.4878 -0.4878 -0.3885 -0.3885 -0.1952 -0.1952 -0.0608 -0.0608 0.1481 0.1481 0.1756 0.1756 0.3284 0.3284 0.8369 0.8369 12.4710 12.4710 13.1820 13.1820 13.8465 13.8465 14.8027 14.8027 15.2111 15.2111 k = 0.5675 0.1610-0.4261 ( 3500 PWs) bands (ev): -20.3003 -20.3003 -19.9110 -19.9110 -19.7458 -19.7458 -19.6758 -19.6758 -19.5783 -19.5783 -19.2455 -19.2455 -4.6241 -4.6241 -3.7246 -3.7246 -3.0935 -3.0935 -2.9591 -2.9591 -2.7057 -2.7057 -2.1719 -2.1719 -1.6444 -1.6444 -1.3903 -1.3903 -0.7390 -0.7390 -0.6051 -0.6051 -0.4894 -0.4894 -0.4050 -0.4050 -0.1943 -0.1943 -0.0750 -0.0750 0.1284 0.1284 0.1927 0.1927 0.3246 0.3246 0.8465 0.8465 12.4452 12.4452 13.1705 13.1705 13.9567 13.9567 14.8028 14.8028 15.1868 15.1868 k = 0.5600 0.1743-0.4261 ( 3494 PWs) bands (ev): -20.3062 -20.3062 -19.8903 -19.8903 -19.7468 -19.7468 -19.6795 -19.6795 -19.5925 -19.5925 -19.2415 -19.2415 -4.6366 -4.6366 -3.6727 -3.6727 -3.1086 -3.1086 -2.9762 -2.9762 -2.7235 -2.7235 -2.1869 -2.1869 -1.6133 -1.6133 -1.3727 -1.3727 -0.7389 -0.7389 -0.6068 -0.6068 -0.4879 -0.4879 -0.4214 -0.4214 -0.1919 -0.1919 -0.0875 -0.0875 0.1033 0.1033 0.2133 0.2133 0.3214 0.3214 0.8552 0.8552 12.4219 12.4219 13.1596 13.1596 14.0670 14.0670 14.8028 14.8028 15.1652 15.1652 k = 0.5525 0.1877-0.4261 ( 3490 PWs) bands (ev): -20.3114 -20.3114 -19.8701 -19.8701 -19.7477 -19.7477 -19.6829 -19.6829 -19.6069 -19.6069 -19.2379 -19.2379 -4.6478 -4.6478 -3.6212 -3.6212 -3.1219 -3.1219 -2.9995 -2.9995 -2.7365 -2.7365 -2.2002 -2.2002 -1.5845 -1.5845 -1.3563 -1.3563 -0.7423 -0.7423 -0.6076 -0.6076 -0.4842 -0.4842 -0.4374 -0.4374 -0.1879 -0.1879 -0.0984 -0.0984 0.0777 0.0777 0.2322 0.2322 0.3188 0.3188 0.8630 0.8630 12.4012 12.4012 13.1496 13.1496 14.1767 14.1767 14.8028 14.8028 15.1461 15.1461 k = 0.5450 0.2010-0.4261 ( 3490 PWs) bands (ev): -20.3159 -20.3159 -19.8504 -19.8504 -19.7485 -19.7485 -19.6858 -19.6858 -19.6215 -19.6215 -19.2348 -19.2348 -4.6576 -4.6576 -3.5702 -3.5702 -3.1335 -3.1335 -3.0284 -3.0284 -2.7453 -2.7453 -2.2117 -2.2117 -1.5585 -1.5585 -1.3415 -1.3415 -0.7480 -0.7480 -0.6073 -0.6073 -0.4803 -0.4803 -0.4515 -0.4515 -0.1820 -0.1820 -0.1078 -0.1078 0.0524 0.0524 0.2487 0.2487 0.3168 0.3168 0.8698 0.8698 12.3833 12.3833 13.1408 13.1408 14.2856 14.2856 14.8031 14.8031 15.1295 15.1295 k = 0.5375 0.2143-0.4261 ( 3494 PWs) bands (ev): -20.3197 -20.3197 -19.8313 -19.8313 -19.7491 -19.7491 -19.6883 -19.6883 -19.6363 -19.6363 -19.2322 -19.2322 -4.6659 -4.6659 -3.5199 -3.5199 -3.1434 -3.1434 -3.0618 -3.0618 -2.7509 -2.7509 -2.2214 -2.2214 -1.5354 -1.5354 -1.3285 -1.3285 -0.7549 -0.7549 -0.6060 -0.6060 -0.4815 -0.4815 -0.4594 -0.4594 -0.1741 -0.1741 -0.1156 -0.1156 0.0276 0.0276 0.2625 0.2625 0.3156 0.3156 0.8756 0.8756 12.3680 12.3680 13.1332 13.1332 14.3929 14.3929 14.8039 14.8039 15.1155 15.1155 k = 0.5300 0.2277-0.4261 ( 3504 PWs) bands (ev): -20.3229 -20.3229 -19.8130 -19.8130 -19.7497 -19.7497 -19.6904 -19.6904 -19.6510 -19.6510 -19.2301 -19.2301 -4.6728 -4.6728 -3.4703 -3.4703 -3.1516 -3.1516 -3.0987 -3.0987 -2.7543 -2.7543 -2.2294 -2.2294 -1.5158 -1.5158 -1.3175 -1.3175 -0.7621 -0.7621 -0.6037 -0.6037 -0.4909 -0.4909 -0.4580 -0.4580 -0.1644 -0.1644 -0.1219 -0.1219 0.0037 0.0037 0.2732 0.2732 0.3153 0.3153 0.8803 0.8803 12.3554 12.3554 13.1269 13.1269 14.4975 14.4975 14.8061 14.8061 15.1041 15.1041 k = 0.5225 0.2410-0.4261 ( 3506 PWs) bands (ev): -20.3254 -20.3254 -19.7959 -19.7959 -19.7501 -19.7501 -19.6920 -19.6920 -19.6654 -19.6654 -19.2284 -19.2284 -4.6782 -4.6782 -3.4217 -3.4217 -3.1588 -3.1588 -3.1373 -3.1373 -2.7562 -2.7562 -2.2355 -2.2355 -1.5000 -1.5000 -1.3087 -1.3087 -0.7686 -0.7686 -0.6008 -0.6008 -0.5022 -0.5022 -0.4540 -0.4540 -0.1530 -0.1530 -0.1266 -0.1266 -0.0188 -0.0188 0.2808 0.2808 0.3159 0.3159 0.8841 0.8841 12.3456 12.3456 13.1220 13.1220 14.5965 14.5965 14.8116 14.8116 15.0952 15.0952 k = 0.5150 0.2544-0.4261 ( 3502 PWs) bands (ev): -20.3271 -20.3271 -19.7808 -19.7808 -19.7504 -19.7504 -19.6931 -19.6931 -19.6784 -19.6784 -19.2272 -19.2272 -4.6821 -4.6821 -3.3747 -3.3747 -3.1810 -3.1810 -3.1604 -3.1604 -2.7572 -2.7572 -2.2399 -2.2399 -1.4884 -1.4884 -1.3022 -1.3022 -0.7737 -0.7737 -0.5977 -0.5977 -0.5119 -0.5119 -0.4504 -0.4504 -0.1410 -0.1410 -0.1297 -0.1297 -0.0391 -0.0391 0.2855 0.2855 0.3171 0.3171 0.8867 0.8867 12.3386 12.3386 13.1184 13.1184 14.6814 14.6814 14.8269 14.8269 15.0888 15.0888 k = 0.5075 0.2677-0.4261 ( 3506 PWs) bands (ev): -20.3282 -20.3282 -19.7694 -19.7694 -19.7506 -19.7506 -19.6939 -19.6939 -19.6885 -19.6885 -19.2264 -19.2264 -4.6844 -4.6844 -3.3313 -3.3313 -3.2199 -3.2199 -3.1640 -3.1640 -2.7577 -2.7577 -2.2426 -2.2426 -1.4813 -1.4813 -1.2983 -1.2983 -0.7770 -0.7770 -0.5952 -0.5952 -0.5186 -0.5186 -0.4481 -0.4481 -0.1339 -0.1339 -0.1278 -0.1278 -0.0550 -0.0550 0.2879 0.2879 0.3183 0.3183 0.8883 0.8883 12.3344 12.3344 13.1163 13.1163 14.7326 14.7326 14.8645 14.8645 15.0848 15.0848 k = 0.5000 0.2810-0.4261 ( 3502 PWs) bands (ev): -20.3285 -20.3285 -19.7649 -19.7649 -19.7507 -19.7507 -19.6944 -19.6944 -19.6924 -19.6924 -19.2262 -19.2262 -4.6852 -4.6852 -3.3061 -3.3061 -3.2438 -3.2438 -3.1650 -3.1650 -2.7579 -2.7579 -2.2434 -2.2434 -1.4789 -1.4789 -1.2970 -1.2970 -0.7781 -0.7781 -0.5942 -0.5942 -0.5210 -0.5210 -0.4473 -0.4473 -0.1338 -0.1338 -0.1235 -0.1235 -0.0617 -0.0617 0.2886 0.2886 0.3187 0.3187 0.8889 0.8889 12.3329 12.3329 13.1156 13.1156 14.7462 14.7462 14.8964 14.8964 15.0699 15.0699 k = 0.5000 0.2810-0.4261 ( 3502 PWs) bands (ev): -20.3285 -20.3285 -19.7649 -19.7649 -19.7507 -19.7507 -19.6944 -19.6944 -19.6924 -19.6924 -19.2262 -19.2262 -4.6852 -4.6852 -3.3061 -3.3061 -3.2438 -3.2438 -3.1650 -3.1650 -2.7579 -2.7579 -2.2434 -2.2434 -1.4789 -1.4789 -1.2970 -1.2970 -0.7781 -0.7781 -0.5942 -0.5942 -0.5210 -0.5210 -0.4473 -0.4473 -0.1338 -0.1338 -0.1235 -0.1235 -0.0617 -0.0617 0.2886 0.2886 0.3187 0.3187 0.8889 0.8889 12.3329 12.3329 13.1156 13.1156 14.7462 14.7462 14.8964 14.8964 15.0699 15.0699 k = 0.5080 0.2855-0.4138 ( 3504 PWs) bands (ev): -20.3282 -20.3282 -19.7698 -19.7698 -19.7507 -19.7507 -19.6927 -19.6927 -19.6893 -19.6893 -19.2264 -19.2264 -4.6843 -4.6843 -3.3210 -3.3210 -3.2427 -3.2427 -3.1509 -3.1509 -2.7584 -2.7584 -2.2425 -2.2425 -1.4808 -1.4808 -1.2979 -1.2979 -0.7782 -0.7782 -0.5937 -0.5937 -0.5218 -0.5218 -0.4460 -0.4460 -0.1480 -0.1480 -0.1079 -0.1079 -0.0610 -0.0610 0.2880 0.2880 0.3179 0.3179 0.8883 0.8883 12.3346 12.3346 13.1166 13.1166 14.7220 14.7220 14.8979 14.8979 15.0123 15.0123 k = 0.5159 0.2900-0.4015 ( 3507 PWs) bands (ev): -20.3271 -20.3271 -19.7821 -19.7821 -19.7505 -19.7505 -19.6919 -19.6919 -19.6784 -19.6784 -19.2272 -19.2272 -4.6819 -4.6819 -3.3553 -3.3553 -3.2397 -3.2397 -3.1185 -3.1185 -2.7599 -2.7599 -2.2396 -2.2396 -1.4865 -1.4865 -1.3007 -1.3007 -0.7783 -0.7783 -0.5922 -0.5922 -0.5241 -0.5241 -0.4421 -0.4421 -0.1647 -0.1647 -0.0875 -0.0875 -0.0588 -0.0588 0.2859 0.2859 0.3158 0.3158 0.8866 0.8866 12.3397 12.3397 13.1195 13.1195 14.6558 14.6558 14.9023 14.9023 14.9763 14.9763 k = 0.5239 0.2945-0.3892 ( 3507 PWs) bands (ev): -20.3253 -20.3253 -19.7982 -19.7982 -19.7501 -19.7501 -19.6907 -19.6907 -19.6644 -19.6644 -19.2284 -19.2284 -4.6777 -4.6777 -3.3975 -3.3975 -3.2348 -3.2348 -3.0794 -3.0794 -2.7625 -2.7625 -2.2349 -2.2349 -1.4959 -1.4959 -1.3054 -1.3054 -0.7787 -0.7787 -0.5895 -0.5895 -0.5278 -0.5278 -0.4358 -0.4358 -0.1795 -0.1795 -0.0684 -0.0684 -0.0530 -0.0530 0.2813 0.2813 0.3135 0.3135 0.8838 0.8838 12.3481 12.3481 13.1244 13.1244 14.5637 14.5637 14.9096 14.9096 14.9595 14.9595 k = 0.5319 0.2989-0.3769 ( 3511 PWs) bands (ev): -20.3228 -20.3228 -19.8162 -19.8162 -19.7496 -19.7496 -19.6891 -19.6891 -19.6493 -19.6493 -19.2302 -19.2302 -4.6720 -4.6720 -3.4432 -3.4432 -3.2281 -3.2281 -3.0379 -3.0379 -2.7661 -2.7661 -2.2282 -2.2282 -1.5088 -1.5088 -1.3118 -1.3118 -0.7794 -0.7794 -0.5860 -0.5860 -0.5328 -0.5328 -0.4272 -0.4272 -0.1922 -0.1922 -0.0581 -0.0581 -0.0367 -0.0367 0.2731 0.2731 0.3120 0.3120 0.8799 0.8799 12.3598 12.3598 13.1313 13.1313 14.4588 14.4588 14.9197 14.9197 14.9520 14.9520 k = 0.5398 0.3034-0.3646 ( 3517 PWs) bands (ev): -20.3195 -20.3195 -19.8354 -19.8354 -19.7490 -19.7490 -19.6870 -19.6870 -19.6338 -19.6338 -19.2324 -19.2324 -4.6647 -4.6647 -3.4909 -3.4909 -3.2196 -3.2196 -2.9957 -2.9957 -2.7707 -2.7707 -2.2196 -2.2196 -1.5251 -1.5251 -1.3200 -1.3200 -0.7809 -0.7809 -0.5816 -0.5816 -0.5385 -0.5385 -0.4165 -0.4165 -0.2026 -0.2026 -0.0522 -0.0522 -0.0143 -0.0143 0.2610 0.2610 0.3119 0.3119 0.8750 0.8750 12.3748 12.3748 13.1401 13.1401 14.3476 14.3476 14.9325 14.9325 14.9492 14.9492 k = 0.5478 0.3079-0.3523 ( 3519 PWs) bands (ev): -20.3156 -20.3156 -19.8554 -19.8554 -19.7483 -19.7483 -19.6844 -19.6844 -19.6183 -19.6183 -19.2351 -19.2351 -4.6558 -4.6558 -3.5397 -3.5397 -3.2092 -3.2092 -2.9534 -2.9534 -2.7762 -2.7762 -2.2091 -2.2091 -1.5444 -1.5444 -1.3299 -1.3299 -0.7834 -0.7834 -0.5769 -0.5769 -0.5441 -0.5441 -0.4040 -0.4040 -0.2105 -0.2105 -0.0463 -0.0463 0.0094 0.0094 0.2451 0.2451 0.3130 0.3130 0.8689 0.8689 12.3929 12.3929 13.1508 13.1508 14.2332 14.2332 14.9453 14.9453 14.9514 14.9514 k = 0.5558 0.3124-0.3400 ( 3515 PWs) bands (ev): -20.3109 -20.3109 -19.8760 -19.8760 -19.7474 -19.7474 -19.6814 -19.6814 -19.6030 -19.6030 -19.2382 -19.2382 -4.6454 -4.6454 -3.5895 -3.5895 -3.1971 -3.1971 -2.9113 -2.9113 -2.7826 -2.7826 -2.1966 -2.1966 -1.5665 -1.5665 -1.3413 -1.3413 -0.7874 -0.7874 -0.5732 -0.5732 -0.5476 -0.5476 -0.3902 -0.3902 -0.2161 -0.2161 -0.0397 -0.0397 0.0336 0.0336 0.2260 0.2260 0.3150 0.3150 0.8619 0.8619 12.4143 12.4143 13.1633 13.1633 14.1168 14.1168 14.9478 14.9478 14.9681 14.9681 k = 0.5637 0.3168-0.3277 ( 3512 PWs) bands (ev): -20.3056 -20.3056 -19.8971 -19.8971 -19.7464 -19.7464 -19.6780 -19.6780 -19.5879 -19.5879 -19.2419 -19.2419 -4.6334 -4.6334 -3.6401 -3.6401 -3.1832 -3.1832 -2.8696 -2.8696 -2.7898 -2.7898 -2.1823 -2.1823 -1.5913 -1.5913 -1.3542 -1.3542 -0.7936 -0.7936 -0.5727 -0.5727 -0.5462 -0.5462 -0.3753 -0.3753 -0.2193 -0.2193 -0.0322 -0.0322 0.0580 0.0580 0.2039 0.2039 0.3178 0.3178 0.8539 0.8539 12.4387 12.4387 13.1776 13.1776 13.9992 13.9992 14.9493 14.9493 14.9893 14.9893 k = 0.5717 0.3213-0.3154 ( 3514 PWs) bands (ev): -20.2996 -20.2996 -19.9186 -19.9186 -19.7453 -19.7453 -19.6741 -19.6741 -19.5732 -19.5732 -19.2459 -19.2459 -4.6201 -4.6201 -3.6912 -3.6912 -3.1676 -3.1676 -2.8286 -2.8286 -2.7977 -2.7977 -2.1660 -2.1660 -1.6184 -1.6184 -1.3684 -1.3684 -0.8022 -0.8022 -0.5746 -0.5746 -0.5400 -0.5400 -0.3597 -0.3597 -0.2204 -0.2204 -0.0239 -0.0239 0.0823 0.0823 0.1794 0.1794 0.3212 0.3212 0.8449 0.8449 12.4660 12.4660 13.1937 13.1937 13.8809 13.8809 14.9511 14.9511 15.0135 15.0135 k = 0.5796 0.3258-0.3031 ( 3512 PWs) bands (ev): -20.2929 -20.2929 -19.9404 -19.9404 -19.7441 -19.7441 -19.6698 -19.6698 -19.5588 -19.5588 -19.2505 -19.2505 -4.6054 -4.6054 -3.7429 -3.7429 -3.1505 -3.1505 -2.8065 -2.8065 -2.7878 -2.7878 -2.1478 -2.1478 -1.6477 -1.6477 -1.3838 -1.3838 -0.8137 -0.8137 -0.5765 -0.5765 -0.5310 -0.5310 -0.3436 -0.3436 -0.2196 -0.2196 -0.0151 -0.0151 0.1060 0.1060 0.1533 0.1533 0.3252 0.3252 0.8350 0.8350 12.4963 12.4963 13.2116 13.2116 13.7621 13.7621 14.9531 14.9531 15.0403 15.0403 k = 0.5876 0.3303-0.2908 ( 3516 PWs) bands (ev): -20.2856 -20.2856 -19.9626 -19.9626 -19.7427 -19.7427 -19.6651 -19.6651 -19.5449 -19.5449 -19.2554 -19.2554 -4.5893 -4.5893 -3.7951 -3.7951 -3.1319 -3.1319 -2.8155 -2.8155 -2.7482 -2.7482 -2.1277 -2.1277 -1.6789 -1.6789 -1.4003 -1.4003 -0.8283 -0.8283 -0.5768 -0.5768 -0.5204 -0.5204 -0.3275 -0.3275 -0.2170 -0.2170 -0.0063 -0.0063 0.1198 0.1198 0.1358 0.1358 0.3298 0.3298 0.8243 0.8243 12.5293 12.5293 13.2311 13.2311 13.6431 13.6431 14.9553 14.9553 15.0698 15.0698 k = 0.5956 0.3347-0.2785 ( 3515 PWs) bands (ev): -20.2776 -20.2776 -19.9851 -19.9851 -19.7413 -19.7413 -19.6599 -19.6599 -19.5313 -19.5313 -19.2608 -19.2608 -4.5720 -4.5720 -3.8476 -3.8476 -3.1121 -3.1121 -2.8249 -2.8249 -2.7091 -2.7091 -2.1056 -2.1056 -1.7118 -1.7118 -1.4177 -1.4177 -0.8459 -0.8459 -0.5749 -0.5749 -0.5088 -0.5088 -0.3116 -0.3116 -0.2128 -0.2128 0.0007 0.0007 0.0965 0.0965 0.1561 0.1561 0.3349 0.3349 0.8129 0.8129 12.5649 12.5649 13.2522 13.2522 13.5238 13.5238 14.9575 14.9575 15.1020 15.1020 k = 0.6035 0.3392-0.2662 ( 3521 PWs) bands (ev): -20.2690 -20.2690 -20.0079 -20.0079 -19.7397 -19.7397 -19.6543 -19.6543 -19.5182 -19.5182 -19.2666 -19.2666 -4.5536 -4.5536 -3.9006 -3.9006 -3.0913 -3.0913 -2.8343 -2.8343 -2.6709 -2.6709 -2.0816 -2.0816 -1.7462 -1.7462 -1.4360 -1.4360 -0.8661 -0.8661 -0.5708 -0.5708 -0.4965 -0.4965 -0.2962 -0.2962 -0.2073 -0.2073 0.0006 0.0006 0.0763 0.0763 0.1792 0.1792 0.3406 0.3406 0.8008 0.8008 12.6031 12.6031 13.2748 13.2748 13.4046 13.4046 14.9595 14.9595 15.1366 15.1366 k = 0.6115 0.3437-0.2539 ( 3522 PWs) bands (ev): -20.2597 -20.2597 -20.0308 -20.0308 -19.7381 -19.7381 -19.6483 -19.6483 -19.5055 -19.5055 -19.2727 -19.2727 -4.5340 -4.5340 -3.9538 -3.9538 -3.0700 -3.0700 -2.8432 -2.8432 -2.6336 -2.6336 -2.0558 -2.0558 -1.7819 -1.7819 -1.4549 -1.4549 -0.8887 -0.8887 -0.5645 -0.5645 -0.4835 -0.4835 -0.2818 -0.2818 -0.2006 -0.2006 -0.0144 -0.0144 0.0705 0.0705 0.2021 0.2021 0.3468 0.3468 0.7881 0.7881 12.6437 12.6437 13.2854 13.2854 13.2989 13.2989 14.9612 14.9612 15.1736 15.1736 k = 0.6195 0.3482-0.2416 ( 3522 PWs) bands (ev): -20.2499 -20.2499 -20.0540 -20.0540 -19.7363 -19.7363 -19.6420 -19.6420 -19.4932 -19.4932 -19.2792 -19.2792 -4.5134 -4.5134 -4.0073 -4.0073 -3.0489 -3.0489 -2.8510 -2.8510 -2.5973 -2.5973 -2.0282 -2.0282 -1.8186 -1.8186 -1.4744 -1.4744 -0.9132 -0.9132 -0.5564 -0.5564 -0.4702 -0.4702 -0.2689 -0.2689 -0.1928 -0.1928 -0.0420 -0.0420 0.0778 0.0778 0.2246 0.2246 0.3536 0.3536 0.7749 0.7749 12.6866 12.6866 13.1663 13.1663 13.3244 13.3244 14.9626 14.9626 15.2130 15.2130 k = 0.6274 0.3527-0.2293 ( 3524 PWs) bands (ev): -20.2395 -20.2395 -20.0773 -20.0773 -19.7345 -19.7345 -19.6352 -19.6352 -19.4814 -19.4814 -19.2861 -19.2861 -4.4918 -4.4918 -4.0611 -4.0611 -3.0293 -3.0293 -2.8562 -2.8562 -2.5621 -2.5621 -1.9988 -1.9988 -1.8559 -1.8559 -1.4944 -1.4944 -0.9393 -0.9393 -0.5465 -0.5465 -0.4565 -0.4565 -0.2587 -0.2587 -0.1840 -0.1840 -0.0742 -0.0742 0.0912 0.0912 0.2465 0.2465 0.3610 0.3610 0.7612 0.7612 12.7316 12.7316 13.0474 13.0474 13.3512 13.3512 14.9635 14.9635 15.2546 15.2546 k = 0.6274 0.3527-0.2293 ( 3524 PWs) bands (ev): -20.2395 -20.2395 -20.0773 -20.0773 -19.7345 -19.7345 -19.6352 -19.6352 -19.4814 -19.4814 -19.2861 -19.2861 -4.4918 -4.4918 -4.0611 -4.0611 -3.0293 -3.0293 -2.8562 -2.8562 -2.5621 -2.5621 -1.9988 -1.9988 -1.8559 -1.8559 -1.4944 -1.4944 -0.9393 -0.9393 -0.5465 -0.5465 -0.4565 -0.4565 -0.2587 -0.2587 -0.1840 -0.1840 -0.0742 -0.0742 0.0912 0.0912 0.2465 0.2465 0.3610 0.3610 0.7612 0.7612 12.7316 12.7316 13.0474 13.0474 13.3512 13.3512 14.9635 14.9635 15.2546 15.2546 k = 0.6230 0.3502-0.2146 ( 3518 PWs) bands (ev): -20.2335 -20.2335 -20.0909 -20.0909 -19.7332 -19.7332 -19.6311 -19.6311 -19.4746 -19.4746 -19.2901 -19.2901 -4.4756 -4.4756 -4.0897 -4.0897 -3.0224 -3.0224 -2.8569 -2.8569 -2.5407 -2.5407 -1.9809 -1.9809 -1.8812 -1.8812 -1.5051 -1.5051 -0.9556 -0.9556 -0.5287 -0.5287 -0.4384 -0.4384 -0.2651 -0.2651 -0.1970 -0.1970 -0.1000 -0.1000 0.1067 0.1067 0.2622 0.2622 0.3658 0.3658 0.7509 0.7509 12.7447 12.7447 12.9767 12.9767 13.3831 13.3831 14.9706 14.9706 15.2922 15.2922 k = 0.6186 0.3477-0.1999 ( 3517 PWs) bands (ev): -20.2289 -20.2289 -20.1043 -20.1043 -19.7305 -19.7305 -19.6267 -19.6267 -19.4680 -19.4680 -19.2944 -19.2944 -4.4621 -4.4621 -4.1181 -4.1181 -3.0159 -3.0159 -2.8547 -2.8547 -2.5211 -2.5211 -1.9631 -1.9631 -1.9059 -1.9059 -1.5136 -1.5136 -0.9711 -0.9711 -0.5185 -0.5185 -0.4279 -0.4279 -0.2655 -0.2655 -0.2024 -0.2024 -0.1264 -0.1264 0.1242 0.1242 0.2779 0.2779 0.3708 0.3708 0.7403 0.7403 12.7351 12.7351 12.9069 12.9069 13.4378 13.4378 14.9780 14.9780 15.3324 15.3324 k = 0.6143 0.3452-0.1852 ( 3523 PWs) bands (ev): -20.2256 -20.2256 -20.1174 -20.1174 -19.7264 -19.7264 -19.6222 -19.6222 -19.4618 -19.4618 -19.2987 -19.2987 -4.4511 -4.4511 -4.1462 -4.1462 -3.0093 -3.0093 -2.8501 -2.8501 -2.5032 -2.5032 -1.9519 -1.9519 -1.9234 -1.9234 -1.5201 -1.5201 -0.9855 -0.9855 -0.5170 -0.5170 -0.4262 -0.4262 -0.2582 -0.2582 -0.1993 -0.1993 -0.1534 -0.1534 0.1432 0.1432 0.2933 0.2933 0.3760 0.3760 0.7295 0.7295 12.7087 12.7087 12.8383 12.8383 13.5095 13.5095 14.9859 14.9859 15.3750 15.3750 k = 0.6099 0.3428-0.1706 ( 3527 PWs) bands (ev): -20.2236 -20.2236 -20.1301 -20.1301 -19.7208 -19.7208 -19.6175 -19.6175 -19.4558 -19.4558 -19.3033 -19.3033 -4.4427 -4.4427 -4.1740 -4.1740 -3.0022 -3.0022 -2.8437 -2.8437 -2.4872 -2.4872 -1.9674 -1.9674 -1.9135 -1.9135 -1.5246 -1.5246 -0.9989 -0.9989 -0.5236 -0.5236 -0.4327 -0.4327 -0.2439 -0.2439 -0.1895 -0.1895 -0.1793 -0.1793 0.1633 0.1633 0.3084 0.3084 0.3815 0.3815 0.7185 0.7185 12.6710 12.6710 12.7709 12.7709 13.5928 13.5928 14.9943 14.9943 15.4199 15.4199 k = 0.6055 0.3403-0.1559 ( 3523 PWs) bands (ev): -20.2228 -20.2228 -20.1424 -20.1424 -19.7140 -19.7140 -19.6126 -19.6126 -19.4501 -19.4501 -19.3080 -19.3080 -4.4367 -4.4367 -4.2014 -4.2014 -2.9940 -2.9940 -2.8359 -2.8359 -2.4729 -2.4729 -1.9926 -1.9926 -1.8933 -1.8933 -1.5273 -1.5273 -1.0109 -1.0109 -0.5371 -0.5371 -0.4450 -0.4450 -0.2259 -0.2259 -0.2085 -0.2085 -0.1691 -0.1691 0.1841 0.1841 0.3231 0.3231 0.3873 0.3873 0.7074 0.7074 12.6265 12.6265 12.7048 12.7048 13.6832 13.6832 15.0032 15.0032 15.4670 15.4670 k = 0.6011 0.3378-0.1412 ( 3523 PWs) bands (ev): -20.2231 -20.2231 -20.1544 -20.1544 -19.7060 -19.7060 -19.6074 -19.6074 -19.4448 -19.4448 -19.3128 -19.3128 -4.4331 -4.4331 -4.2283 -4.2283 -2.9845 -2.9845 -2.8273 -2.8273 -2.4605 -2.4605 -2.0192 -2.0192 -1.8709 -1.8709 -1.5281 -1.5281 -1.0217 -1.0217 -0.5555 -0.5555 -0.4609 -0.4609 -0.2401 -0.2401 -0.2001 -0.2001 -0.1468 -0.1468 0.2054 0.2054 0.3373 0.3373 0.3936 0.3936 0.6961 0.6961 12.5779 12.5779 12.6402 12.6402 13.7781 13.7781 15.0127 15.0127 15.5162 15.5162 k = 0.5967 0.3354-0.1265 ( 3526 PWs) bands (ev): -20.2244 -20.2244 -20.1660 -20.1660 -19.6969 -19.6969 -19.6022 -19.6022 -19.4399 -19.4399 -19.3178 -19.3178 -4.4317 -4.4317 -4.2545 -4.2545 -2.9736 -2.9736 -2.8180 -2.8180 -2.4499 -2.4499 -2.0463 -2.0463 -1.8473 -1.8473 -1.5274 -1.5274 -1.0312 -1.0312 -0.5773 -0.5773 -0.4791 -0.4791 -0.2689 -0.2689 -0.1756 -0.1756 -0.1215 -0.1215 0.2269 0.2269 0.3508 0.3508 0.4003 0.4003 0.6847 0.6847 12.5271 12.5271 12.5771 12.5771 13.8757 13.8757 15.0227 15.0227 15.5675 15.5675 k = 0.5923 0.3329-0.1118 ( 3526 PWs) bands (ev): -20.2265 -20.2265 -20.1771 -20.1771 -19.6870 -19.6870 -19.5967 -19.5967 -19.4353 -19.4353 -19.3229 -19.3229 -4.4324 -4.4324 -4.2801 -4.2801 -2.9612 -2.9612 -2.8083 -2.8083 -2.4410 -2.4410 -2.0735 -2.0735 -1.8228 -1.8228 -1.5251 -1.5251 -1.0393 -1.0393 -0.6012 -0.6012 -0.4987 -0.4987 -0.2985 -0.2985 -0.1495 -0.1495 -0.0945 -0.0945 0.2484 0.2484 0.3634 0.3634 0.4076 0.4076 0.6733 0.6733 12.4753 12.4753 12.5157 12.5157 13.9746 13.9746 15.0334 15.0334 15.6208 15.6208 k = 0.5879 0.3304-0.0971 ( 3526 PWs) bands (ev): -20.2293 -20.2293 -20.1878 -20.1878 -19.6763 -19.6763 -19.5911 -19.5911 -19.4312 -19.4312 -19.3282 -19.3282 -4.4348 -4.4348 -4.3049 -4.3049 -2.9473 -2.9473 -2.7984 -2.7984 -2.4338 -2.4338 -2.1008 -2.1008 -1.7975 -1.7975 -1.5215 -1.5215 -1.0460 -1.0460 -0.6266 -0.6266 -0.5192 -0.5192 -0.3287 -0.3287 -0.1225 -0.1225 -0.0668 -0.0668 0.2697 0.2697 0.3751 0.3751 0.4155 0.4155 0.6619 0.6619 12.4234 12.4234 12.4561 12.4561 14.0741 14.0741 15.0446 15.0446 15.6759 15.6759 k = 0.5835 0.3280-0.0824 ( 3534 PWs) bands (ev): -20.2327 -20.2327 -20.1981 -20.1981 -19.6651 -19.6651 -19.5854 -19.5854 -19.4275 -19.4275 -19.3337 -19.3337 -4.4389 -4.4389 -4.3288 -4.3288 -2.9320 -2.9320 -2.7884 -2.7884 -2.4282 -2.4282 -2.1281 -2.1281 -1.7715 -1.7715 -1.5167 -1.5167 -1.0513 -1.0513 -0.6526 -0.6526 -0.5401 -0.5401 -0.3593 -0.3593 -0.0950 -0.0950 -0.0389 -0.0389 0.2906 0.2906 0.3858 0.3858 0.4240 0.4240 0.6504 0.6504 12.3719 12.3719 12.3985 12.3985 14.1735 14.1735 15.0565 15.0565 15.7328 15.7328 k = 0.5791 0.3255-0.0677 ( 3528 PWs) bands (ev): -20.2366 -20.2366 -20.2078 -20.2078 -19.6533 -19.6533 -19.5794 -19.5794 -19.4242 -19.4242 -19.3392 -19.3392 -4.4443 -4.4443 -4.3518 -4.3518 -2.9153 -2.9153 -2.7783 -2.7783 -2.4242 -2.4242 -2.1552 -2.1552 -1.7447 -1.7447 -1.5107 -1.5107 -1.0552 -1.0552 -0.6790 -0.6790 -0.5614 -0.5614 -0.3902 -0.3902 -0.0672 -0.0672 -0.0113 -0.0113 0.3109 0.3109 0.3956 0.3956 0.4330 0.4330 0.6390 0.6390 12.3213 12.3213 12.3429 12.3429 14.2722 14.2722 15.0689 15.0689 15.7915 15.7915 k = 0.5747 0.3230-0.0530 ( 3528 PWs) bands (ev): -20.2408 -20.2408 -20.2172 -20.2172 -19.6411 -19.6411 -19.5734 -19.5734 -19.4213 -19.4213 -19.3449 -19.3449 -4.4508 -4.4508 -4.3739 -4.3739 -2.8976 -2.8976 -2.7682 -2.7682 -2.4216 -2.4216 -2.1821 -2.1821 -1.7174 -1.7174 -1.5038 -1.5038 -1.0576 -1.0576 -0.7054 -0.7054 -0.5829 -0.5829 -0.4215 -0.4215 -0.0393 -0.0393 0.0157 0.0157 0.3305 0.3305 0.4045 0.4045 0.4422 0.4422 0.6277 0.6277 12.2720 12.2720 12.2895 12.2895 14.3697 14.3697 15.0820 15.0820 15.8518 15.8518 k = 0.5703 0.3205-0.0383 ( 3528 PWs) bands (ev): -20.2453 -20.2453 -20.2260 -20.2260 -19.6287 -19.6287 -19.5672 -19.5672 -19.4190 -19.4190 -19.3508 -19.3508 -4.4583 -4.4583 -4.3949 -4.3949 -2.8789 -2.8789 -2.7580 -2.7580 -2.4206 -2.4206 -2.2087 -2.2087 -1.6896 -1.6896 -1.4961 -1.4961 -1.0587 -1.0587 -0.7316 -0.7316 -0.6044 -0.6044 -0.4531 -0.4531 -0.0115 -0.0115 0.0419 0.0419 0.3493 0.3493 0.4130 0.4130 0.4513 0.4513 0.6165 0.6165 12.2243 12.2243 12.2384 12.2384 14.4655 14.4655 15.0955 15.0955 15.9136 15.9136 k = 0.5659 0.3181-0.0236 ( 3540 PWs) bands (ev): -20.2499 -20.2499 -20.2343 -20.2343 -19.6162 -19.6162 -19.5609 -19.5609 -19.4172 -19.4172 -19.3567 -19.3567 -4.4665 -4.4665 -4.4148 -4.4148 -2.8594 -2.8594 -2.7478 -2.7478 -2.4208 -2.4208 -2.2350 -2.2350 -1.6615 -1.6615 -1.4875 -1.4875 -1.0584 -1.0584 -0.7573 -0.7573 -0.6259 -0.6259 -0.4850 -0.4850 0.0160 0.0160 0.0671 0.0671 0.3671 0.3671 0.4209 0.4209 0.4602 0.4602 0.6054 0.6054 12.1784 12.1784 12.1896 12.1896 14.5590 14.5590 15.1097 15.1097 15.9769 15.9769 k = 0.5615 0.3156-0.0089 ( 3535 PWs) bands (ev): -20.2545 -20.2545 -20.2421 -20.2421 -19.6036 -19.6036 -19.5545 -19.5545 -19.4158 -19.4158 -19.3628 -19.3628 -4.4751 -4.4751 -4.4336 -4.4336 -2.8393 -2.8393 -2.7376 -2.7376 -2.4224 -2.4224 -2.2609 -2.2609 -1.6330 -1.6330 -1.4784 -1.4784 -1.0567 -1.0567 -0.7824 -0.7824 -0.6473 -0.6473 -0.5170 -0.5170 0.0431 0.0431 0.0912 0.0912 0.3840 0.3840 0.4287 0.4287 0.4686 0.4686 0.5946 0.5946 12.1346 12.1346 12.1435 12.1435 14.6497 14.6497 15.1243 15.1243 16.0416 16.0416 k = 0.5571 0.3131 0.0058 ( 3539 PWs) bands (ev): -20.2591 -20.2591 -20.2494 -20.2494 -19.5911 -19.5911 -19.5479 -19.5479 -19.4150 -19.4150 -19.3690 -19.3690 -4.4841 -4.4841 -4.4511 -4.4511 -2.8187 -2.8187 -2.7272 -2.7272 -2.4253 -2.4253 -2.2863 -2.2863 -1.6044 -1.6044 -1.4686 -1.4686 -1.0537 -1.0537 -0.8066 -0.8066 -0.6686 -0.6686 -0.5492 -0.5492 0.0696 0.0696 0.1141 0.1141 0.3997 0.3997 0.4362 0.4362 0.4763 0.4763 0.5840 0.5840 12.0929 12.0929 12.0999 12.0999 14.7370 14.7370 15.1394 15.1394 16.1075 16.1075 k = 0.5527 0.3107 0.0205 ( 3533 PWs) bands (ev): -20.2637 -20.2637 -20.2561 -20.2561 -19.5787 -19.5787 -19.5413 -19.5413 -19.4148 -19.4148 -19.3753 -19.3753 -4.4932 -4.4932 -4.4675 -4.4675 -2.7977 -2.7977 -2.7167 -2.7167 -2.4293 -2.4293 -2.3113 -2.3113 -1.5759 -1.5759 -1.4584 -1.4584 -1.0495 -1.0495 -0.8298 -0.8298 -0.6897 -0.6897 -0.5814 -0.5814 0.0954 0.0954 0.1358 0.1358 0.4142 0.4142 0.4435 0.4435 0.4833 0.4833 0.5738 0.5738 12.0538 12.0538 12.0591 12.0591 14.8203 14.8203 15.1548 15.1548 16.1746 16.1746 k = 0.5483 0.3082 0.0351 ( 3527 PWs) bands (ev): -20.2681 -20.2681 -20.2624 -20.2624 -19.5664 -19.5664 -19.5346 -19.5346 -19.4151 -19.4151 -19.3817 -19.3817 -4.5021 -4.5021 -4.4825 -4.4825 -2.7765 -2.7765 -2.7060 -2.7060 -2.4345 -2.4345 -2.3357 -2.3357 -1.5476 -1.5476 -1.4478 -1.4478 -1.0440 -1.0440 -0.8518 -0.8518 -0.7106 -0.7106 -0.6136 -0.6136 0.1202 0.1202 0.1561 0.1561 0.4275 0.4275 0.4506 0.4506 0.4895 0.4895 0.5639 0.5639 12.0171 12.0171 12.0212 12.0212 14.8987 14.8987 15.1704 15.1704 16.2427 16.2427 k = 0.5439 0.3057 0.0498 ( 3527 PWs) bands (ev): -20.2723 -20.2723 -20.2680 -20.2680 -19.5544 -19.5544 -19.5278 -19.5278 -19.4159 -19.4159 -19.3882 -19.3882 -4.5109 -4.5109 -4.4963 -4.4963 -2.7553 -2.7553 -2.6951 -2.6951 -2.4409 -2.4409 -2.3596 -2.3596 -1.5197 -1.5197 -1.4370 -1.4370 -1.0373 -1.0373 -0.8724 -0.8724 -0.7312 -0.7312 -0.6457 -0.6457 0.1438 0.1438 0.1752 0.1752 0.4395 0.4395 0.4575 0.4575 0.4948 0.4948 0.5546 0.5546 11.9832 11.9832 11.9862 11.9862 14.9716 14.9716 15.1863 15.1863 16.3118 16.3118 k = 0.5395 0.3033 0.0645 ( 3529 PWs) bands (ev): -20.2762 -20.2762 -20.2732 -20.2732 -19.5427 -19.5427 -19.5209 -19.5209 -19.4174 -19.4174 -19.3948 -19.3948 -4.5194 -4.5194 -4.5088 -4.5088 -2.7341 -2.7341 -2.6839 -2.6839 -2.4484 -2.4484 -2.3828 -2.3828 -1.4927 -1.4927 -1.4260 -1.4260 -1.0295 -1.0295 -0.8912 -0.8912 -0.7515 -0.7515 -0.6776 -0.6776 0.1660 0.1660 0.1928 0.1928 0.4500 0.4500 0.4642 0.4642 0.4993 0.4993 0.5458 0.5458 11.9521 11.9521 11.9543 11.9543 15.0381 15.0381 15.2021 15.2021 16.3817 16.3817 k = 0.5352 0.3008 0.0792 ( 3525 PWs) bands (ev): -20.2799 -20.2799 -20.2777 -20.2777 -19.5314 -19.5314 -19.5139 -19.5139 -19.4194 -19.4194 -19.4015 -19.4015 -4.5273 -4.5273 -4.5199 -4.5199 -2.7131 -2.7131 -2.6723 -2.6723 -2.4569 -2.4569 -2.4054 -2.4054 -1.4667 -1.4667 -1.4149 -1.4149 -1.0206 -1.0206 -0.9080 -0.9080 -0.7716 -0.7716 -0.7091 -0.7091 0.1867 0.1867 0.2090 0.2090 0.4591 0.4591 0.4704 0.4704 0.5030 0.5030 0.5378 0.5378 11.9239 11.9239 11.9255 11.9255 15.0977 15.0977 15.2177 15.2177 16.4522 16.4522 k = 0.5308 0.2983 0.0939 ( 3519 PWs) bands (ev): -20.2832 -20.2832 -20.2818 -20.2818 -19.5204 -19.5204 -19.5069 -19.5069 -19.4220 -19.4220 -19.4082 -19.4082 -4.5346 -4.5346 -4.5297 -4.5297 -2.6924 -2.6924 -2.6603 -2.6603 -2.4665 -2.4665 -2.4273 -2.4273 -1.4423 -1.4423 -1.4040 -1.4040 -1.0107 -1.0107 -0.9223 -0.9223 -0.7913 -0.7913 -0.7401 -0.7401 0.2056 0.2056 0.2238 0.2238 0.4666 0.4666 0.4762 0.4762 0.5060 0.5060 0.5307 0.5307 11.8989 11.8989 11.8999 11.8999 15.1495 15.1495 15.2330 15.2330 16.5232 16.5232 k = 0.5264 0.2958 0.1086 ( 3517 PWs) bands (ev): -20.2861 -20.2861 -20.2853 -20.2853 -19.5099 -19.5099 -19.4999 -19.4999 -19.4252 -19.4252 -19.4151 -19.4151 -4.5412 -4.5412 -4.5381 -4.5381 -2.6720 -2.6720 -2.6479 -2.6479 -2.4770 -2.4770 -2.4484 -2.4484 -1.4200 -1.4200 -1.3934 -1.3934 -0.9998 -0.9998 -0.9337 -0.9337 -0.8106 -0.8106 -0.7703 -0.7703 0.2224 0.2224 0.2371 0.2371 0.4727 0.4727 0.4811 0.4811 0.5084 0.5084 0.5247 0.5247 11.8769 11.8769 11.8775 11.8775 15.1934 15.1934 15.2477 15.2477 16.5946 16.5946 k = 0.5220 0.2934 0.1233 ( 3517 PWs) bands (ev): -20.2887 -20.2887 -20.2882 -20.2882 -19.4998 -19.4998 -19.4928 -19.4928 -19.4291 -19.4291 -19.4220 -19.4220 -4.5470 -4.5470 -4.5452 -4.5452 -2.6521 -2.6521 -2.6350 -2.6350 -2.4886 -2.4886 -2.4689 -2.4689 -1.4002 -1.4002 -1.3833 -1.3833 -0.9880 -0.9880 -0.9416 -0.9416 -0.8295 -0.8295 -0.7995 -0.7995 0.2371 0.2371 0.2487 0.2487 0.4773 0.4773 0.4850 0.4850 0.5103 0.5103 0.5200 0.5200 11.8582 11.8582 11.8586 11.8586 15.2292 15.2292 15.2614 15.2614 16.6662 16.6662 k = 0.5176 0.2909 0.1380 ( 3521 PWs) bands (ev): -20.2908 -20.2908 -20.2906 -20.2906 -19.4902 -19.4902 -19.4857 -19.4857 -19.4335 -19.4335 -19.4289 -19.4289 -4.5519 -4.5519 -4.5510 -4.5510 -2.6327 -2.6327 -2.6215 -2.6215 -2.5011 -2.5011 -2.4886 -2.4886 -1.3835 -1.3835 -1.3740 -1.3740 -0.9753 -0.9753 -0.9456 -0.9456 -0.8480 -0.8480 -0.8274 -0.8274 0.2494 0.2494 0.2585 0.2585 0.4807 0.4807 0.4876 0.4876 0.5118 0.5118 0.5168 0.5168 11.8428 11.8428 11.8430 11.8430 15.2570 15.2570 15.2739 15.2739 16.7378 16.7378 k = 0.5132 0.2884 0.1527 ( 3519 PWs) bands (ev): -20.2925 -20.2925 -20.2924 -20.2924 -19.4812 -19.4812 -19.4786 -19.4786 -19.4385 -19.4385 -19.4359 -19.4359 -4.5558 -4.5558 -4.5554 -4.5554 -2.6139 -2.6139 -2.6075 -2.6075 -2.5144 -2.5144 -2.5075 -2.5075 -1.3704 -1.3704 -1.3659 -1.3659 -0.9618 -0.9618 -0.9453 -0.9453 -0.8660 -0.8660 -0.8536 -0.8536 0.2594 0.2594 0.2661 0.2661 0.4830 0.4830 0.4888 0.4888 0.5130 0.5130 0.5150 0.5150 11.8307 11.8307 11.8308 11.8308 15.2773 15.2773 15.2846 15.2846 16.8093 16.8093 k = 0.5088 0.2860 0.1674 ( 3521 PWs) bands (ev): -20.2938 -20.2938 -20.2937 -20.2937 -19.4726 -19.4726 -19.4715 -19.4715 -19.4442 -19.4442 -19.4430 -19.4430 -4.5587 -4.5587 -4.5586 -4.5586 -2.5959 -2.5959 -2.5930 -2.5930 -2.5285 -2.5285 -2.5255 -2.5255 -1.3612 -1.3612 -1.3595 -1.3595 -0.9475 -0.9475 -0.9403 -0.9403 -0.8835 -0.8835 -0.8776 -0.8776 0.2669 0.2669 0.2715 0.2715 0.4847 0.4847 0.4889 0.4889 0.5138 0.5138 0.5144 0.5144 11.8220 11.8220 11.8221 11.8221 15.2908 15.2908 15.2930 15.2930 16.8804 16.8804 k = 0.5044 0.2835 0.1821 ( 3517 PWs) bands (ev): -20.2945 -20.2945 -20.2945 -20.2945 -19.4647 -19.4647 -19.4643 -19.4643 -19.4504 -19.4504 -19.4501 -19.4501 -4.5605 -4.5605 -4.5604 -4.5604 -2.5790 -2.5790 -2.5783 -2.5783 -2.5430 -2.5430 -2.5423 -2.5423 -1.3558 -1.3558 -1.3552 -1.3552 -0.9325 -0.9325 -0.9307 -0.9307 -0.9004 -0.9004 -0.8988 -0.8988 0.2719 0.2719 0.2742 0.2742 0.4860 0.4860 0.4882 0.4882 0.5143 0.5143 0.5144 0.5144 11.8168 11.8168 11.8168 11.8168 15.2982 15.2982 15.2987 15.2987 16.9509 16.9509 k = 0.5000 0.2810 0.1968 ( 3516 PWs) bands (ev): -20.2948 -20.2948 -20.2948 -20.2948 -19.4576 -19.4576 -19.4576 -19.4576 -19.4568 -19.4568 -19.4568 -19.4568 -4.5611 -4.5611 -4.5611 -4.5611 -2.5680 -2.5680 -2.5680 -2.5680 -2.5534 -2.5534 -2.5534 -2.5534 -1.3539 -1.3539 -1.3539 -1.3539 -0.9175 -0.9175 -0.9175 -0.9175 -0.9160 -0.9160 -0.9160 -0.9160 0.2744 0.2744 0.2744 0.2744 0.4872 0.4872 0.4872 0.4872 0.5145 0.5145 0.5145 0.5145 11.8151 11.8151 11.8151 11.8151 15.3006 15.3006 15.3006 15.3006 17.0207 17.0208 k = 0.5000-0.3043-0.2131 ( 3516 PWs) bands (ev): -20.2849 -20.2849 -20.2849 -20.2849 -19.4812 -19.4812 -19.4812 -19.4812 -19.4429 -19.4429 -19.4429 -19.4429 -4.6737 -4.6737 -4.6737 -4.6737 -2.6838 -2.6838 -2.6838 -2.6838 -2.3457 -2.3457 -2.3457 -2.3457 -1.3960 -1.3960 -1.3960 -1.3960 -0.9626 -0.9626 -0.9626 -0.9626 -0.8994 -0.8994 -0.8994 -0.8994 0.3850 0.3850 0.3850 0.3850 0.4895 0.4895 0.4895 0.4895 0.6090 0.6090 0.6090 0.6090 11.9480 11.9480 11.9480 11.9480 14.7389 14.7389 14.7389 14.7389 16.6649 16.6649 k = 0.5094-0.2939-0.2058 ( 3523 PWs) bands (ev): -20.2850 -20.2850 -20.2843 -20.2843 -19.4883 -19.4883 -19.4743 -19.4743 -19.4511 -19.4511 -19.4351 -19.4351 -4.6750 -4.6750 -4.6707 -4.6707 -2.6941 -2.6941 -2.6731 -2.6731 -2.3698 -2.3698 -2.3223 -2.3223 -1.3992 -1.3992 -1.3963 -1.3963 -0.9786 -0.9786 -0.9431 -0.9431 -0.9123 -0.9123 -0.8854 -0.8854 0.3824 0.3824 0.3865 0.3865 0.4838 0.4838 0.4933 0.4933 0.6002 0.6002 0.6170 0.6170 11.9489 11.9489 11.9506 11.9506 14.7278 14.7278 14.7489 14.7489 16.5726 16.5726 k = 0.5189-0.2835-0.1985 ( 3526 PWs) bands (ev): -20.2846 -20.2846 -20.2831 -20.2831 -19.4957 -19.4957 -19.4677 -19.4677 -19.4596 -19.4596 -19.4276 -19.4276 -4.6747 -4.6747 -4.6660 -4.6660 -2.7040 -2.7040 -2.6621 -2.6621 -2.3946 -2.3946 -2.2997 -2.2997 -1.4062 -1.4062 -1.3994 -1.3994 -0.9909 -0.9909 -0.9252 -0.9252 -0.9188 -0.9188 -0.8703 -0.8703 0.3786 0.3786 0.3870 0.3870 0.4765 0.4765 0.4954 0.4954 0.5904 0.5904 0.6242 0.6242 11.9534 11.9534 11.9567 11.9567 14.7154 14.7154 14.7581 14.7581 16.4803 16.4803 k = 0.5283-0.2731-0.1912 ( 3530 PWs) bands (ev): -20.2836 -20.2836 -20.2814 -20.2814 -19.5034 -19.5034 -19.4685 -19.4685 -19.4614 -19.4614 -19.4206 -19.4206 -4.6728 -4.6728 -4.6595 -4.6595 -2.7135 -2.7135 -2.6507 -2.6507 -2.4201 -2.4201 -2.2779 -2.2779 -1.4171 -1.4171 -1.4049 -1.4049 -0.9996 -0.9996 -0.9338 -0.9338 -0.8942 -0.8942 -0.8545 -0.8545 0.3735 0.3735 0.3864 0.3864 0.4675 0.4675 0.4956 0.4956 0.5796 0.5796 0.6306 0.6306 11.9614 11.9614 11.9662 11.9662 14.7012 14.7012 14.7667 14.7667 16.3887 16.3887 k = 0.5378-0.2626-0.1839 ( 3530 PWs) bands (ev): -20.2822 -20.2822 -20.2792 -20.2792 -19.5113 -19.5113 -19.4776 -19.4776 -19.4554 -19.4554 -19.4138 -19.4138 -4.6693 -4.6693 -4.6513 -4.6513 -2.7226 -2.7226 -2.6390 -2.6390 -2.4463 -2.4463 -2.2568 -2.2568 -1.4318 -1.4318 -1.4122 -1.4122 -1.0056 -1.0056 -0.9406 -0.9406 -0.8666 -0.8666 -0.8377 -0.8377 0.3671 0.3671 0.3848 0.3848 0.4569 0.4569 0.4939 0.4939 0.5681 0.5681 0.6364 0.6364 11.9729 11.9729 11.9791 11.9791 14.6849 14.6849 14.7749 14.7749 16.2983 16.2983 k = 0.5472-0.2522-0.1766 ( 3530 PWs) bands (ev): -20.2804 -20.2804 -20.2763 -20.2763 -19.5195 -19.5195 -19.4869 -19.4869 -19.4498 -19.4498 -19.4074 -19.4074 -4.6644 -4.6644 -4.6414 -4.6414 -2.7313 -2.7313 -2.6270 -2.6270 -2.4730 -2.4730 -2.2365 -2.2365 -1.4499 -1.4499 -1.4207 -1.4207 -1.0101 -1.0101 -0.9437 -0.9437 -0.8380 -0.8380 -0.8196 -0.8196 0.3591 0.3591 0.3821 0.3821 0.4448 0.4448 0.4901 0.4901 0.5559 0.5559 0.6418 0.6418 11.9879 11.9879 11.9953 11.9953 14.6659 14.6659 14.7829 14.7829 16.2097 16.2097 k = 0.5566-0.2418-0.1693 ( 3520 PWs) bands (ev): -20.2781 -20.2781 -20.2729 -20.2729 -19.5282 -19.5282 -19.4963 -19.4963 -19.4447 -19.4447 -19.4012 -19.4012 -4.6580 -4.6580 -4.6297 -4.6297 -2.7397 -2.7397 -2.6149 -2.6149 -2.5003 -2.5003 -2.2168 -2.2168 -1.4709 -1.4709 -1.4300 -1.4300 -1.0145 -1.0145 -0.9423 -0.9423 -0.8116 -0.8116 -0.7975 -0.7975 0.3497 0.3497 0.3782 0.3782 0.4313 0.4313 0.4841 0.4841 0.5433 0.5433 0.6468 0.6468 12.0064 12.0064 12.0148 12.0148 14.6437 14.6437 14.7909 14.7909 16.1236 16.1236 k = 0.5661-0.2314-0.1620 ( 3518 PWs) bands (ev): -20.2754 -20.2754 -20.2689 -20.2689 -19.5373 -19.5373 -19.5056 -19.5056 -19.4402 -19.4402 -19.3952 -19.3952 -4.6504 -4.6504 -4.6163 -4.6163 -2.7478 -2.7478 -2.6027 -2.6027 -2.5280 -2.5280 -2.1979 -2.1979 -1.4943 -1.4943 -1.4399 -1.4399 -1.0193 -1.0193 -0.9363 -0.9363 -0.7906 -0.7906 -0.7685 -0.7685 0.3386 0.3386 0.3730 0.3730 0.4165 0.4165 0.4757 0.4757 0.5309 0.5309 0.6515 0.6515 12.0283 12.0283 12.0375 12.0375 14.6179 14.6179 14.7988 14.7988 16.0405 16.0405 k = 0.5755-0.2210-0.1547 ( 3518 PWs) bands (ev): -20.2723 -20.2723 -20.2643 -20.2643 -19.5470 -19.5470 -19.5148 -19.5148 -19.4362 -19.4362 -19.3893 -19.3893 -4.6416 -4.6416 -4.6011 -4.6011 -2.7556 -2.7556 -2.5908 -2.5908 -2.5558 -2.5558 -2.1796 -2.1796 -1.5195 -1.5195 -1.4500 -1.4500 -1.0246 -1.0246 -0.9261 -0.9261 -0.7717 -0.7717 -0.7363 -0.7363 0.3257 0.3257 0.3660 0.3660 0.4006 0.4006 0.4651 0.4651 0.5188 0.5188 0.6561 0.6561 12.0536 12.0536 12.0632 12.0632 14.5877 14.5877 14.8067 14.8067 15.9610 15.9610 k = 0.5850-0.2106-0.1475 ( 3518 PWs) bands (ev): -20.2689 -20.2689 -20.2592 -20.2592 -19.5572 -19.5572 -19.5236 -19.5236 -19.4328 -19.4328 -19.3835 -19.3835 -4.6316 -4.6316 -4.5843 -4.5843 -2.7632 -2.7632 -2.5883 -2.5883 -2.5746 -2.5746 -2.1620 -2.1620 -1.5460 -1.5460 -1.4602 -1.4602 -1.0299 -1.0299 -0.9125 -0.9125 -0.7532 -0.7532 -0.7029 -0.7029 0.3112 0.3112 0.3569 0.3569 0.3837 0.3837 0.4527 0.4527 0.5073 0.5073 0.6606 0.6606 12.0822 12.0822 12.0919 12.0919 14.5527 14.5527 14.8148 14.8148 15.8858 15.8858 k = 0.5944-0.2002-0.1402 ( 3511 PWs) bands (ev): -20.2653 -20.2653 -20.2535 -20.2535 -19.5681 -19.5681 -19.5321 -19.5321 -19.4302 -19.4302 -19.3778 -19.3778 -4.6207 -4.6207 -4.5658 -4.5658 -2.7706 -2.7706 -2.6148 -2.6148 -2.5648 -2.5648 -2.1449 -2.1449 -1.5734 -1.5734 -1.4702 -1.4702 -1.0348 -1.0348 -0.8964 -0.8964 -0.7347 -0.7347 -0.6689 -0.6689 0.2948 0.2948 0.3451 0.3451 0.3658 0.3658 0.4394 0.4394 0.4963 0.4963 0.6652 0.6652 12.1140 12.1140 12.1234 12.1234 14.5124 14.5124 14.8230 14.8230 15.8154 15.8154 k = 0.6038-0.1898-0.1329 ( 3509 PWs) bands (ev): -20.2614 -20.2614 -20.2472 -20.2472 -19.5795 -19.5795 -19.5402 -19.5402 -19.4283 -19.4283 -19.3720 -19.3720 -4.6090 -4.6090 -4.5456 -4.5456 -2.7780 -2.7780 -2.6435 -2.6435 -2.5532 -2.5532 -2.1283 -2.1283 -1.6013 -1.6013 -1.4798 -1.4798 -1.0391 -1.0391 -0.8781 -0.8781 -0.7161 -0.7161 -0.6346 -0.6346 0.2765 0.2765 0.3303 0.3303 0.3468 0.3468 0.4262 0.4262 0.4855 0.4855 0.6698 0.6698 12.1490 12.1490 12.1576 12.1576 14.4663 14.4663 14.8313 14.8313 15.7500 15.7500 k = 0.6133-0.1794-0.1256 ( 3514 PWs) bands (ev): -20.2573 -20.2573 -20.2403 -20.2403 -19.5914 -19.5914 -19.5480 -19.5480 -19.4271 -19.4271 -19.3662 -19.3662 -4.5966 -4.5966 -4.5239 -4.5239 -2.7854 -2.7854 -2.6723 -2.6723 -2.5420 -2.5420 -2.1121 -2.1121 -1.6296 -1.6296 -1.4891 -1.4891 -1.0425 -1.0425 -0.8583 -0.8583 -0.6975 -0.6975 -0.6002 -0.6002 0.2564 0.2564 0.3125 0.3125 0.3263 0.3263 0.4139 0.4139 0.4749 0.4749 0.6745 0.6745 12.1871 12.1871 12.1943 12.1943 14.4144 14.4144 14.8398 14.8398 15.6900 15.6900 k = 0.6227-0.1690-0.1183 ( 3514 PWs) bands (ev): -20.2532 -20.2532 -20.2329 -20.2329 -19.6036 -19.6036 -19.5555 -19.5555 -19.4266 -19.4266 -19.3604 -19.3604 -4.5838 -4.5838 -4.5007 -4.5007 -2.7929 -2.7929 -2.7008 -2.7008 -2.5314 -2.5314 -2.0963 -2.0963 -1.6579 -1.6579 -1.4977 -1.4977 -1.0448 -1.0448 -0.8373 -0.8373 -0.6788 -0.6788 -0.5659 -0.5659 0.2345 0.2345 0.2917 0.2917 0.3047 0.3047 0.4026 0.4026 0.4643 0.4643 0.6793 0.6793 12.2281 12.2281 12.2335 12.2335 14.3564 14.3564 14.8485 14.8485 15.6355 15.6355 k = 0.6322-0.1586-0.1110 ( 3516 PWs) bands (ev): -20.2490 -20.2490 -20.2250 -20.2250 -19.6161 -19.6161 -19.5627 -19.5627 -19.4269 -19.4269 -19.3546 -19.3546 -4.5706 -4.5706 -4.4760 -4.4760 -2.8008 -2.8008 -2.7287 -2.7287 -2.5217 -2.5217 -2.0806 -2.0806 -1.6860 -1.6860 -1.5056 -1.5056 -1.0460 -1.0460 -0.8153 -0.8153 -0.6601 -0.6601 -0.5317 -0.5317 0.2108 0.2108 0.2671 0.2671 0.2833 0.2833 0.3923 0.3923 0.4538 0.4538 0.6843 0.6843 12.2720 12.2720 12.2748 12.2748 14.2926 14.2926 14.8573 14.8573 15.5864 15.5864 k = 0.6416-0.1481-0.1037 ( 3520 PWs) bands (ev): -20.2448 -20.2448 -20.2165 -20.2165 -19.6286 -19.6286 -19.5696 -19.5696 -19.4278 -19.4278 -19.3489 -19.3489 -4.5574 -4.5574 -4.4500 -4.4500 -2.8095 -2.8095 -2.7554 -2.7554 -2.5129 -2.5129 -2.0652 -2.0652 -1.7139 -1.7139 -1.5128 -1.5128 -1.0459 -1.0459 -0.7926 -0.7926 -0.6415 -0.6415 -0.4978 -0.4978 0.1854 0.1854 0.2388 0.2388 0.2626 0.2626 0.3824 0.3824 0.4436 0.4436 0.6895 0.6895 12.3180 12.3180 12.3189 12.3189 14.2233 14.2233 14.8661 14.8661 15.5423 15.5423 k = 0.6510-0.1377-0.0964 ( 3521 PWs) bands (ev): -20.2408 -20.2408 -20.2074 -20.2074 -19.6411 -19.6411 -19.5762 -19.5762 -19.4294 -19.4294 -19.3431 -19.3431 -4.5443 -4.5443 -4.4226 -4.4226 -2.8202 -2.8202 -2.7796 -2.7796 -2.5055 -2.5055 -2.0497 -2.0497 -1.7413 -1.7413 -1.5190 -1.5190 -1.0445 -1.0445 -0.7693 -0.7693 -0.6229 -0.6229 -0.4643 -0.4643 0.1585 0.1585 0.2077 0.2077 0.2425 0.2425 0.3726 0.3726 0.4336 0.4336 0.6948 0.6948 12.3631 12.3631 12.3680 12.3680 14.1491 14.1491 14.8751 14.8751 15.5030 15.5030 k = 0.6605-0.1273-0.0892 ( 3520 PWs) bands (ev): -20.2371 -20.2371 -20.1979 -20.1979 -19.6534 -19.6534 -19.5826 -19.5826 -19.4316 -19.4316 -19.3374 -19.3374 -4.5317 -4.5317 -4.3939 -4.3939 -2.8351 -2.8351 -2.7988 -2.7988 -2.4996 -2.4996 -2.0342 -2.0342 -1.7682 -1.7682 -1.5242 -1.5242 -1.0416 -1.0416 -0.7456 -0.7456 -0.6045 -0.6045 -0.4313 -0.4313 0.1302 0.1302 0.1744 0.1744 0.2229 0.2229 0.3625 0.3625 0.4242 0.4242 0.7003 0.7003 12.4096 12.4096 12.4198 12.4198 14.0706 14.0706 14.8840 14.8840 15.4679 15.4679 k = 0.6699-0.1169-0.0819 ( 3519 PWs) bands (ev): -20.2336 -20.2336 -20.1878 -20.1878 -19.6654 -19.6654 -19.5889 -19.5889 -19.4344 -19.4344 -19.3318 -19.3318 -4.5197 -4.5197 -4.3642 -4.3642 -2.8550 -2.8550 -2.8122 -2.8122 -2.4953 -2.4953 -2.0186 -2.0186 -1.7945 -1.7945 -1.5282 -1.5282 -1.0373 -1.0373 -0.7219 -0.7219 -0.5862 -0.5862 -0.3990 -0.3990 0.1007 0.1007 0.1396 0.1396 0.2039 0.2039 0.3519 0.3519 0.4154 0.4154 0.7060 0.7060 12.4571 12.4571 12.4740 12.4740 13.9886 13.9886 14.8930 14.8930 15.4366 15.4366 k = 0.6794-0.1065-0.0746 ( 3519 PWs) bands (ev): -20.2307 -20.2307 -20.1773 -20.1773 -19.6769 -19.6769 -19.5949 -19.5949 -19.4378 -19.4378 -19.3262 -19.3262 -4.5088 -4.5088 -4.3333 -4.3333 -2.8774 -2.8774 -2.8219 -2.8219 -2.4931 -2.4931 -2.0027 -2.0027 -1.8201 -1.8201 -1.5310 -1.5310 -1.0316 -1.0316 -0.6981 -0.6981 -0.5683 -0.5683 -0.3676 -0.3676 0.0702 0.0702 0.1035 0.1035 0.1857 0.1857 0.3408 0.3408 0.4073 0.4073 0.7118 0.7118 12.5053 12.5053 12.5305 12.5305 13.9040 13.9040 14.9018 14.9018 15.4086 15.4086 k = 0.6888-0.0961-0.0673 ( 3520 PWs) bands (ev): -20.2283 -20.2283 -20.1663 -20.1663 -19.6878 -19.6878 -19.6006 -19.6006 -19.4417 -19.4417 -19.3208 -19.3208 -4.4991 -4.4991 -4.3015 -4.3015 -2.9002 -2.9002 -2.8298 -2.8298 -2.4929 -2.4929 -1.9865 -1.9865 -1.8448 -1.8448 -1.5324 -1.5324 -1.0245 -1.0245 -0.6746 -0.6746 -0.5507 -0.5507 -0.3374 -0.3374 0.0390 0.0390 0.0666 0.0666 0.1685 0.1685 0.3291 0.3291 0.3999 0.3999 0.7177 0.7177 12.5535 12.5535 12.5891 12.5891 13.8178 13.8178 14.9106 14.9106 15.3833 15.3833 k = 0.6982-0.0857-0.0600 ( 3521 PWs) bands (ev): -20.2267 -20.2267 -20.1548 -20.1548 -19.6979 -19.6979 -19.6062 -19.6062 -19.4461 -19.4461 -19.3154 -19.3154 -4.4910 -4.4910 -4.2688 -4.2688 -2.9224 -2.9224 -2.8367 -2.8367 -2.4951 -2.4951 -1.9702 -1.9702 -1.8685 -1.8685 -1.5323 -1.5323 -1.0159 -1.0159 -0.6516 -0.6516 -0.5336 -0.5336 -0.3087 -0.3087 0.0075 0.0075 0.0294 0.0294 0.1524 0.1524 0.3170 0.3170 0.3931 0.3931 0.7237 0.7237 12.6007 12.6007 12.6497 12.6497 13.7312 13.7312 14.9191 14.9191 15.3604 15.3604 k = 0.7077-0.0753-0.0527 ( 3516 PWs) bands (ev): -20.2260 -20.2260 -20.1428 -20.1428 -19.7071 -19.7071 -19.6116 -19.6116 -19.4509 -19.4509 -19.3102 -19.3102 -4.4848 -4.4848 -4.2354 -4.2354 -2.9435 -2.9435 -2.8429 -2.8429 -2.4997 -2.4997 -1.9541 -1.9541 -1.8907 -1.8907 -1.5306 -1.5306 -1.0059 -1.0059 -0.6293 -0.6293 -0.5171 -0.5171 -0.2823 -0.2823 -0.0238 -0.0238 -0.0074 -0.0074 0.1376 0.1376 0.3047 0.3047 0.3868 0.3868 0.7298 0.7298 12.6458 12.6458 12.7121 12.7121 13.6457 13.6457 14.9274 14.9274 15.3394 15.3394 k = 0.7171-0.0649-0.0454 ( 3522 PWs) bands (ev): -20.2262 -20.2262 -20.1305 -20.1305 -19.7153 -19.7153 -19.6168 -19.6168 -19.4563 -19.4563 -19.3051 -19.3051 -4.4808 -4.4808 -4.2013 -4.2013 -2.9633 -2.9633 -2.8482 -2.8482 -2.5069 -2.5069 -1.9409 -1.9409 -1.9086 -1.9086 -1.5272 -1.5272 -0.9946 -0.9946 -0.6082 -0.6082 -0.5015 -0.5015 -0.2596 -0.2596 -0.0553 -0.0553 -0.0416 -0.0416 0.1244 0.1244 0.2923 0.2923 0.3810 0.3810 0.7360 0.7360 12.6869 12.6869 12.7763 12.7763 13.5637 13.5637 14.9355 14.9355 15.3201 15.3201 k = 0.7265-0.0545-0.0381 ( 3523 PWs) bands (ev): -20.2276 -20.2276 -20.1177 -20.1177 -19.7222 -19.7222 -19.6217 -19.6217 -19.4620 -19.4620 -19.3001 -19.3001 -4.4792 -4.4792 -4.1667 -4.1667 -2.9816 -2.9816 -2.8524 -2.8524 -2.5167 -2.5167 -1.9445 -1.9445 -1.9084 -1.9084 -1.5219 -1.5219 -0.9822 -0.9822 -0.5887 -0.5887 -0.4870 -0.4870 -0.2430 -0.2430 -0.0885 -0.0885 -0.0681 -0.0681 0.1129 0.1129 0.2801 0.2801 0.3756 0.3756 0.7423 0.7423 12.7208 12.7208 12.8420 12.8420 13.4882 13.4882 14.9431 14.9431 15.3021 15.3021 k = 0.7360-0.0441-0.0309 ( 3529 PWs) bands (ev): -20.2303 -20.2303 -20.1046 -20.1046 -19.7277 -19.7277 -19.6265 -19.6265 -19.4681 -19.4681 -19.2953 -19.2953 -4.4804 -4.4804 -4.1318 -4.1318 -2.9987 -2.9987 -2.8554 -2.8554 -2.5292 -2.5292 -1.9617 -1.9617 -1.8931 -1.8931 -1.5148 -1.5148 -0.9686 -0.9686 -0.5714 -0.5714 -0.4742 -0.4742 -0.2366 -0.2366 -0.1225 -0.1225 -0.0828 -0.0828 0.1034 0.1034 0.2682 0.2682 0.3705 0.3705 0.7485 0.7485 12.7433 12.7433 12.9092 12.9092 13.4238 13.4238 14.9504 14.9504 15.2853 15.2853 k = 0.7454-0.0337-0.0236 ( 3524 PWs) bands (ev): -20.2342 -20.2342 -20.0911 -20.0911 -19.7318 -19.7318 -19.6310 -19.6310 -19.4745 -19.4745 -19.2907 -19.2907 -4.4846 -4.4846 -4.0965 -4.0965 -3.0145 -3.0145 -2.8568 -2.8568 -2.5443 -2.5443 -1.9805 -1.9805 -1.8750 -1.8750 -1.5056 -1.5056 -0.9542 -0.9542 -0.5570 -0.5570 -0.4636 -0.4636 -0.2429 -0.2429 -0.1549 -0.1549 -0.0840 -0.0840 0.0961 0.0961 0.2570 0.2570 0.3656 0.3656 0.7548 0.7548 12.7486 12.7486 12.9777 12.9777 13.3764 13.3764 14.9572 14.9572 15.2695 15.2695 k = 0.7549-0.0232-0.0163 ( 3524 PWs) bands (ev): -20.2396 -20.2396 -20.0772 -20.0772 -19.7343 -19.7343 -19.6353 -19.6353 -19.4813 -19.4813 -19.2862 -19.2862 -4.4918 -4.4918 -4.0611 -4.0611 -3.0293 -3.0293 -2.8561 -2.8561 -2.5620 -2.5620 -1.9989 -1.9989 -1.8560 -1.8560 -1.4944 -1.4944 -0.9393 -0.9393 -0.5464 -0.5464 -0.4565 -0.4565 -0.2587 -0.2587 -0.1841 -0.1841 -0.0743 -0.0743 0.0912 0.0912 0.2465 0.2465 0.3610 0.3610 0.7611 0.7611 12.7316 12.7316 13.0474 13.0474 13.3512 13.3512 14.9635 14.9635 15.2546 15.2546 Writing output data file AlF3.save init_run : 0.22s CPU 0.37s WALL ( 1 calls) electrons : 151.73s CPU 153.84s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 151.72s CPU 153.83s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.04s WALL ( 288 calls) cegterg : 135.93s CPU 137.54s WALL ( 405 calls) Called by sum_band: Called by *egterg: h_psi : 83.60s CPU 84.69s WALL ( 6497 calls) s_psi : 3.74s CPU 3.83s WALL ( 6497 calls) g_psi : 0.16s CPU 0.17s WALL ( 5804 calls) cdiaghg : 45.71s CPU 46.29s WALL ( 6092 calls) cegterg:over : 4.77s CPU 4.70s WALL ( 5804 calls) cegterg:upda : 3.50s CPU 3.71s WALL ( 5804 calls) cegterg:last : 2.40s CPU 2.30s WALL ( 981 calls) cdiaghg:chol : 2.64s CPU 2.57s WALL ( 6092 calls) cdiaghg:inve : 1.59s CPU 1.78s WALL ( 6092 calls) cdiaghg:para : 2.79s CPU 2.78s WALL ( 12184 calls) Called by h_psi: h_psi:vloc : 74.09s CPU 75.14s WALL ( 6497 calls) h_psi:vnl : 9.32s CPU 9.38s WALL ( 6497 calls) add_vuspsi : 4.58s CPU 4.69s WALL ( 6497 calls) General routines calbec : 4.73s CPU 4.67s WALL ( 6497 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 70.13s CPU 70.83s WALL ( 706492 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.23s WALL ( 576 calls) Parallel routines fft_scatter : 22.04s CPU 22.40s WALL ( 706515 calls) PWSCF : 2m45.77s CPU 3m 1.97s WALL This run was terminated on: 19:28:14 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=