Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:38:22 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 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: ./LiAuF6.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 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 80 77 21 2739 2613 378 Max 81 78 22 2743 2632 383 Sum 2889 2805 775 98643 94339 13667 bravais-lattice index = 14 lattice parameter (alat) = 10.2199 a.u. unit-cell volume = 668.8960 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.219864 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.572040 celldm(5)= 0.572040 celldm(6)= 0.572040 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.572040 0.820225 0.000000 ) a(3) = ( 0.572040 0.298467 0.763994 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.697419 -0.476292 ) b(2) = ( 0.000000 1.219177 -0.476292 ) b(3) = ( 0.000000 0.000000 1.308910 ) 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 Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 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. # 3 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential F 7.00 18.99840 F( 1.00) Li 3.00 6.94100 Li( 1.00) Au 11.00 196.96660 Au( 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= 280 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 2) = ( 0.0128205 -0.0089413 -0.0061063), wk = 0.0035714 k( 3) = ( 0.0256410 -0.0178825 -0.0122126), wk = 0.0035714 k( 4) = ( 0.0384615 -0.0268238 -0.0183189), wk = 0.0035714 k( 5) = ( 0.0512821 -0.0357651 -0.0244252), wk = 0.0035714 k( 6) = ( 0.0641026 -0.0447063 -0.0305315), wk = 0.0035714 k( 7) = ( 0.0769231 -0.0536476 -0.0366378), wk = 0.0035714 k( 8) = ( 0.0897436 -0.0625888 -0.0427441), wk = 0.0035714 k( 9) = ( 0.1025641 -0.0715301 -0.0488504), wk = 0.0035714 k( 10) = ( 0.1153846 -0.0804714 -0.0549567), wk = 0.0035714 k( 11) = ( 0.1282051 -0.0894126 -0.0610630), wk = 0.0035714 k( 12) = ( 0.1410256 -0.0983539 -0.0671693), wk = 0.0035714 k( 13) = ( 0.1538461 -0.1072952 -0.0732756), wk = 0.0035714 k( 14) = ( 0.1666667 -0.1162364 -0.0793819), wk = 0.0035714 k( 15) = ( 0.1794872 -0.1251777 -0.0854882), wk = 0.0035714 k( 16) = ( 0.1923077 -0.1341190 -0.0915945), wk = 0.0035714 k( 17) = ( 0.2051282 -0.1430602 -0.0977008), wk = 0.0035714 k( 18) = ( 0.2179487 -0.1520015 -0.1038071), wk = 0.0035714 k( 19) = ( 0.2307692 -0.1609428 -0.1099135), wk = 0.0035714 k( 20) = ( 0.2435897 -0.1698840 -0.1160198), wk = 0.0035714 k( 21) = ( 0.2564103 -0.1788253 -0.1221261), wk = 0.0035714 k( 22) = ( 0.2692308 -0.1877665 -0.1282324), wk = 0.0035714 k( 23) = ( 0.2820513 -0.1967078 -0.1343387), wk = 0.0035714 k( 24) = ( 0.2948718 -0.2056491 -0.1404450), wk = 0.0035714 k( 25) = ( 0.3076923 -0.2145903 -0.1465513), wk = 0.0035714 k( 26) = ( 0.3205128 -0.2235316 -0.1526576), wk = 0.0035714 k( 27) = ( 0.3333333 -0.2324729 -0.1587639), wk = 0.0035714 k( 28) = ( 0.3461538 -0.2414141 -0.1648702), wk = 0.0035714 k( 29) = ( 0.3589744 -0.2503554 -0.1709765), wk = 0.0035714 k( 30) = ( 0.3717949 -0.2592967 -0.1770828), wk = 0.0035714 k( 31) = ( 0.3846154 -0.2682379 -0.1831891), wk = 0.0035714 k( 32) = ( 0.3974359 -0.2771792 -0.1892954), wk = 0.0035714 k( 33) = ( 0.4102564 -0.2861205 -0.1954017), wk = 0.0035714 k( 34) = ( 0.4230769 -0.2950617 -0.2015080), wk = 0.0035714 k( 35) = ( 0.4358974 -0.3040030 -0.2076143), wk = 0.0035714 k( 36) = ( 0.4487179 -0.3129442 -0.2137206), wk = 0.0035714 k( 37) = ( 0.4615385 -0.3218855 -0.2198269), wk = 0.0035714 k( 38) = ( 0.4743590 -0.3308268 -0.2259332), wk = 0.0035714 k( 39) = ( 0.4871795 -0.3397680 -0.2320395), wk = 0.0035714 k( 40) = ( 0.5000000 -0.3487093 -0.2381458), wk = 0.0035714 k( 41) = ( 0.5000000 -0.3487093 -0.2381458), wk = 0.0035714 k( 42) = ( 0.5000000 -0.3392322 -0.2520228), wk = 0.0035714 k( 43) = ( 0.5000000 -0.3297551 -0.2658998), wk = 0.0035714 k( 44) = ( 0.5000000 -0.3202781 -0.2797768), wk = 0.0035714 k( 45) = ( 0.5000000 -0.3108010 -0.2936537), wk = 0.0035714 k( 46) = ( 0.5000000 -0.3013239 -0.3075307), wk = 0.0035714 k( 47) = ( 0.5000000 -0.2918468 -0.3214077), wk = 0.0035714 k( 48) = ( 0.5000000 -0.2823698 -0.3352847), wk = 0.0035714 k( 49) = ( 0.5000000 -0.2728927 -0.3491617), wk = 0.0035714 k( 50) = ( 0.5000000 -0.2634156 -0.3630386), wk = 0.0035714 k( 51) = ( 0.5000000 -0.2539385 -0.3769156), wk = 0.0035714 k( 52) = ( 0.5000000 -0.2444615 -0.3907926), wk = 0.0035714 k( 53) = ( 0.5000000 -0.2349844 -0.4046696), wk = 0.0035714 k( 54) = ( 0.5000000 -0.2255073 -0.4185465), wk = 0.0035714 k( 55) = ( 0.5000000 -0.2160302 -0.4324235), wk = 0.0035714 k( 56) = ( 0.5000000 -0.2065532 -0.4463005), wk = 0.0035714 k( 57) = ( 0.5000000 -0.1970761 -0.4601775), wk = 0.0035714 k( 58) = ( 0.5000000 -0.1875990 -0.4740545), wk = 0.0035714 k( 59) = ( 0.5000000 -0.1781219 -0.4879314), wk = 0.0035714 k( 60) = ( 0.5000000 -0.1686449 -0.5018084), wk = 0.0035714 k( 61) = ( 0.5000000 -0.1591678 -0.5156854), wk = 0.0035714 k( 62) = ( 0.5000000 -0.1496907 -0.5295624), wk = 0.0035714 k( 63) = ( 0.5000000 -0.1402136 -0.5434394), wk = 0.0035714 k( 64) = ( 0.5000000 -0.1307365 -0.5573163), wk = 0.0035714 k( 65) = ( 0.5000000 -0.1212595 -0.5711933), wk = 0.0035714 k( 66) = ( 0.5000000 -0.1117824 -0.5850703), wk = 0.0035714 k( 67) = ( 0.5000000 -0.1023053 -0.5989473), wk = 0.0035714 k( 68) = ( 0.5000000 -0.0928282 -0.6128243), wk = 0.0035714 k( 69) = ( 0.5000000 -0.0833512 -0.6267012), wk = 0.0035714 k( 70) = ( 0.5000000 -0.0738741 -0.6405782), wk = 0.0035714 k( 71) = ( 0.5000000 -0.0643970 -0.6544552), wk = 0.0035714 k( 72) = ( 0.7667998 0.0748081 -0.2981281), wk = 0.0035714 k( 73) = ( 0.7589528 0.0802807 -0.2841195), wk = 0.0035714 k( 74) = ( 0.7511057 0.0857534 -0.2701109), wk = 0.0035714 k( 75) = ( 0.7432587 0.0912261 -0.2561023), wk = 0.0035714 k( 76) = ( 0.7354116 0.0966988 -0.2420937), wk = 0.0035714 k( 77) = ( 0.7275646 0.1021715 -0.2280852), wk = 0.0035714 k( 78) = ( 0.7197175 0.1076441 -0.2140766), wk = 0.0035714 k( 79) = ( 0.7118705 0.1131168 -0.2000680), wk = 0.0035714 k( 80) = ( 0.7040234 0.1185895 -0.1860594), wk = 0.0035714 k( 81) = ( 0.6961764 0.1240622 -0.1720509), wk = 0.0035714 k( 82) = ( 0.6883293 0.1295349 -0.1580423), wk = 0.0035714 k( 83) = ( 0.6804822 0.1350076 -0.1440337), wk = 0.0035714 k( 84) = ( 0.6726352 0.1404802 -0.1300251), wk = 0.0035714 k( 85) = ( 0.6647881 0.1459529 -0.1160165), wk = 0.0035714 k( 86) = ( 0.6569411 0.1514256 -0.1020080), wk = 0.0035714 k( 87) = ( 0.6490940 0.1568983 -0.0879994), wk = 0.0035714 k( 88) = ( 0.6412470 0.1623710 -0.0739908), wk = 0.0035714 k( 89) = ( 0.6333999 0.1678436 -0.0599822), wk = 0.0035714 k( 90) = ( 0.6255529 0.1733163 -0.0459737), wk = 0.0035714 k( 91) = ( 0.6177058 0.1787890 -0.0319651), wk = 0.0035714 k( 92) = ( 0.6098588 0.1842617 -0.0179565), wk = 0.0035714 k( 93) = ( 0.6020117 0.1897344 -0.0039479), wk = 0.0035714 k( 94) = ( 0.5941646 0.1952071 0.0100607), wk = 0.0035714 k( 95) = ( 0.5863176 0.2006797 0.0240692), wk = 0.0035714 k( 96) = ( 0.5784705 0.2061524 0.0380778), wk = 0.0035714 k( 97) = ( 0.5706235 0.2116251 0.0520864), wk = 0.0035714 k( 98) = ( 0.5627764 0.2170978 0.0660950), wk = 0.0035714 k( 99) = ( 0.5549294 0.2225705 0.0801035), wk = 0.0035714 k( 100) = ( 0.5470823 0.2280431 0.0941121), wk = 0.0035714 k( 101) = ( 0.5392353 0.2335158 0.1081207), wk = 0.0035714 k( 102) = ( 0.5313882 0.2389885 0.1221293), wk = 0.0035714 k( 103) = ( 0.5235412 0.2444612 0.1361378), wk = 0.0035714 k( 104) = ( 0.5156941 0.2499339 0.1501464), wk = 0.0035714 k( 105) = ( 0.5078470 0.2554066 0.1641550), wk = 0.0035714 k( 106) = ( 0.5000000 0.2608792 0.1781636), wk = 0.0035714 k( 107) = ( 0.5000000 0.2608792 0.1781636), wk = 0.0035714 k( 108) = ( 0.4857143 0.2534255 0.1730732), wk = 0.0035714 k( 109) = ( 0.4714286 0.2459718 0.1679828), wk = 0.0035714 k( 110) = ( 0.4571429 0.2385182 0.1628924), wk = 0.0035714 k( 111) = ( 0.4428571 0.2310645 0.1578020), wk = 0.0035714 k( 112) = ( 0.4285714 0.2236108 0.1527116), wk = 0.0035714 k( 113) = ( 0.4142857 0.2161571 0.1476212), wk = 0.0035714 k( 114) = ( 0.4000000 0.2087034 0.1425309), wk = 0.0035714 k( 115) = ( 0.3857143 0.2012497 0.1374405), wk = 0.0035714 k( 116) = ( 0.3714286 0.1937960 0.1323501), wk = 0.0035714 k( 117) = ( 0.3571429 0.1863423 0.1272597), wk = 0.0035714 k( 118) = ( 0.3428571 0.1788886 0.1221693), wk = 0.0035714 k( 119) = ( 0.3285714 0.1714349 0.1170789), wk = 0.0035714 k( 120) = ( 0.3142857 0.1639812 0.1119885), wk = 0.0035714 k( 121) = ( 0.3000000 0.1565275 0.1068981), wk = 0.0035714 k( 122) = ( 0.2857143 0.1490738 0.1018078), wk = 0.0035714 k( 123) = ( 0.2714286 0.1416202 0.0967174), wk = 0.0035714 k( 124) = ( 0.2571429 0.1341665 0.0916270), wk = 0.0035714 k( 125) = ( 0.2428571 0.1267128 0.0865366), wk = 0.0035714 k( 126) = ( 0.2285714 0.1192591 0.0814462), wk = 0.0035714 k( 127) = ( 0.2142857 0.1118054 0.0763558), wk = 0.0035714 k( 128) = ( 0.2000000 0.1043517 0.0712654), wk = 0.0035714 k( 129) = ( 0.1857143 0.0968980 0.0661750), wk = 0.0035714 k( 130) = ( 0.1714286 0.0894443 0.0610847), wk = 0.0035714 k( 131) = ( 0.1571429 0.0819906 0.0559943), wk = 0.0035714 k( 132) = ( 0.1428571 0.0745369 0.0509039), wk = 0.0035714 k( 133) = ( 0.1285714 0.0670832 0.0458135), wk = 0.0035714 k( 134) = ( 0.1142857 0.0596295 0.0407231), wk = 0.0035714 k( 135) = ( 0.1000000 0.0521758 0.0356327), wk = 0.0035714 k( 136) = ( 0.0857143 0.0447222 0.0305423), wk = 0.0035714 k( 137) = ( 0.0714286 0.0372685 0.0254519), wk = 0.0035714 k( 138) = ( 0.0571429 0.0298148 0.0203616), wk = 0.0035714 k( 139) = ( 0.0428571 0.0223611 0.0152712), wk = 0.0035714 k( 140) = ( 0.0285714 0.0149074 0.0101808), wk = 0.0035714 k( 141) = ( 0.0142857 0.0074537 0.0050904), wk = 0.0035714 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 144) = ( 0.0078000 -0.0054399 -0.0139246), wk = 0.0035714 k( 145) = ( 0.0156000 -0.0108797 -0.0278492), wk = 0.0035714 k( 146) = ( 0.0234000 -0.0163196 -0.0417737), wk = 0.0035714 k( 147) = ( 0.0312000 -0.0217595 -0.0556983), wk = 0.0035714 k( 148) = ( 0.0390000 -0.0271993 -0.0696229), wk = 0.0035714 k( 149) = ( 0.0468000 -0.0326392 -0.0835475), wk = 0.0035714 k( 150) = ( 0.0546000 -0.0380791 -0.0974720), wk = 0.0035714 k( 151) = ( 0.0624000 -0.0435189 -0.1113966), wk = 0.0035714 k( 152) = ( 0.0702000 -0.0489588 -0.1253212), wk = 0.0035714 k( 153) = ( 0.0780000 -0.0543987 -0.1392458), wk = 0.0035714 k( 154) = ( 0.0858000 -0.0598385 -0.1531704), wk = 0.0035714 k( 155) = ( 0.0936000 -0.0652784 -0.1670949), wk = 0.0035714 k( 156) = ( 0.1014000 -0.0707183 -0.1810195), wk = 0.0035714 k( 157) = ( 0.1092000 -0.0761581 -0.1949441), wk = 0.0035714 k( 158) = ( 0.1170000 -0.0815980 -0.2088687), wk = 0.0035714 k( 159) = ( 0.1248000 -0.0870379 -0.2227933), wk = 0.0035714 k( 160) = ( 0.1326000 -0.0924777 -0.2367178), wk = 0.0035714 k( 161) = ( 0.1404000 -0.0979176 -0.2506424), wk = 0.0035714 k( 162) = ( 0.1482000 -0.1033575 -0.2645670), wk = 0.0035714 k( 163) = ( 0.1560000 -0.1087973 -0.2784916), wk = 0.0035714 k( 164) = ( 0.1638000 -0.1142372 -0.2924161), wk = 0.0035714 k( 165) = ( 0.1716000 -0.1196771 -0.3063407), wk = 0.0035714 k( 166) = ( 0.1794000 -0.1251169 -0.3202653), wk = 0.0035714 k( 167) = ( 0.1872000 -0.1305568 -0.3341899), wk = 0.0035714 k( 168) = ( 0.1950000 -0.1359967 -0.3481145), wk = 0.0035714 k( 169) = ( 0.2028000 -0.1414365 -0.3620390), wk = 0.0035714 k( 170) = ( 0.2106000 -0.1468764 -0.3759636), wk = 0.0035714 k( 171) = ( 0.2184001 -0.1523163 -0.3898882), wk = 0.0035714 k( 172) = ( 0.2262001 -0.1577561 -0.4038128), wk = 0.0035714 k( 173) = ( 0.2340000 -0.1631960 -0.4177374), wk = 0.0035714 k( 174) = ( 0.2418000 -0.1686359 -0.4316619), wk = 0.0035714 k( 175) = ( 0.2496000 -0.1740757 -0.4455865), wk = 0.0035714 k( 176) = ( 0.2574000 -0.1795156 -0.4595111), wk = 0.0035714 k( 177) = ( 0.2652001 -0.1849555 -0.4734357), wk = 0.0035714 k( 178) = ( 0.2730001 -0.1903953 -0.4873603), wk = 0.0035714 k( 179) = ( 0.2808001 -0.1958352 -0.5012848), wk = 0.0035714 k( 180) = ( 0.2886001 -0.2012751 -0.5152094), wk = 0.0035714 k( 181) = ( 0.2964001 -0.2067149 -0.5291340), wk = 0.0035714 k( 182) = ( 0.3042001 -0.2121548 -0.5430586), wk = 0.0035714 k( 183) = ( 0.3120001 -0.2175947 -0.5569832), wk = 0.0035714 k( 184) = ( 0.3198001 -0.2230345 -0.5709077), wk = 0.0035714 k( 185) = ( 0.3276001 -0.2284744 -0.5848323), wk = 0.0035714 k( 186) = ( 0.3354001 -0.2339142 -0.5987569), wk = 0.0035714 k( 187) = ( 0.3432001 -0.2393541 -0.6126815), wk = 0.0035714 k( 188) = ( 0.3510001 -0.2447940 -0.6266060), wk = 0.0035714 k( 189) = ( 0.3588001 -0.2502338 -0.6405306), wk = 0.0035714 k( 190) = ( 0.3666001 -0.2556737 -0.6544552), wk = 0.0035714 k( 191) = ( 0.6333999 0.0052055 -0.4762916), wk = 0.0035714 k( 192) = ( 0.6255529 0.0202451 -0.4762916), wk = 0.0035714 k( 193) = ( 0.6177058 0.0352848 -0.4762916), wk = 0.0035714 k( 194) = ( 0.6098588 0.0503244 -0.4762916), wk = 0.0035714 k( 195) = ( 0.6020117 0.0653640 -0.4762916), wk = 0.0035714 k( 196) = ( 0.5941646 0.0804037 -0.4762916), wk = 0.0035714 k( 197) = ( 0.5863176 0.0954433 -0.4762916), wk = 0.0035714 k( 198) = ( 0.5784705 0.1104829 -0.4762916), wk = 0.0035714 k( 199) = ( 0.5706235 0.1255226 -0.4762916), wk = 0.0035714 k( 200) = ( 0.5627764 0.1405622 -0.4762916), wk = 0.0035714 k( 201) = ( 0.5549294 0.1556018 -0.4762916), wk = 0.0035714 k( 202) = ( 0.5470823 0.1706414 -0.4762916), wk = 0.0035714 k( 203) = ( 0.5392353 0.1856811 -0.4762916), wk = 0.0035714 k( 204) = ( 0.5313882 0.2007207 -0.4762916), wk = 0.0035714 k( 205) = ( 0.5235412 0.2157603 -0.4762916), wk = 0.0035714 k( 206) = ( 0.5156941 0.2308000 -0.4762916), wk = 0.0035714 k( 207) = ( 0.5078470 0.2458396 -0.4762916), wk = 0.0035714 k( 208) = ( 0.5000000 0.2608792 -0.4762916), wk = 0.0035714 k( 209) = ( 0.5000000 0.2608792 -0.4762916), wk = 0.0035714 k( 210) = ( 0.5095286 0.2658508 -0.4635657), wk = 0.0035714 k( 211) = ( 0.5190571 0.2708224 -0.4508397), wk = 0.0035714 k( 212) = ( 0.5285857 0.2757941 -0.4381137), wk = 0.0035714 k( 213) = ( 0.5381143 0.2807657 -0.4253877), wk = 0.0035714 k( 214) = ( 0.5476428 0.2857373 -0.4126618), wk = 0.0035714 k( 215) = ( 0.5571714 0.2907089 -0.3999358), wk = 0.0035714 k( 216) = ( 0.5667000 0.2956805 -0.3872098), wk = 0.0035714 k( 217) = ( 0.5762285 0.3006521 -0.3744839), wk = 0.0035714 k( 218) = ( 0.5857571 0.3056237 -0.3617579), wk = 0.0035714 k( 219) = ( 0.5952857 0.3105953 -0.3490319), wk = 0.0035714 k( 220) = ( 0.6048142 0.3155669 -0.3363060), wk = 0.0035714 k( 221) = ( 0.6143428 0.3205385 -0.3235800), wk = 0.0035714 k( 222) = ( 0.6238714 0.3255102 -0.3108540), wk = 0.0035714 k( 223) = ( 0.6333999 0.3304818 -0.2981280), wk = 0.0035714 k( 224) = ( 0.6333999 0.3304818 -0.2981280), wk = 0.0035714 k( 225) = ( 0.6289533 0.3281617 -0.2822517), wk = 0.0035714 k( 226) = ( 0.6245066 0.3258416 -0.2663753), wk = 0.0035714 k( 227) = ( 0.6200599 0.3235215 -0.2504989), wk = 0.0035714 k( 228) = ( 0.6156133 0.3212014 -0.2346225), wk = 0.0035714 k( 229) = ( 0.6111666 0.3188813 -0.2187461), wk = 0.0035714 k( 230) = ( 0.6067199 0.3165613 -0.2028697), wk = 0.0035714 k( 231) = ( 0.6022733 0.3142412 -0.1869933), wk = 0.0035714 k( 232) = ( 0.5978266 0.3119211 -0.1711169), wk = 0.0035714 k( 233) = ( 0.5933799 0.3096010 -0.1552406), wk = 0.0035714 k( 234) = ( 0.5889333 0.3072809 -0.1393642), wk = 0.0035714 k( 235) = ( 0.5844866 0.3049608 -0.1234878), wk = 0.0035714 k( 236) = ( 0.5800399 0.3026408 -0.1076114), wk = 0.0035714 k( 237) = ( 0.5755933 0.3003207 -0.0917350), wk = 0.0035714 k( 238) = ( 0.5711466 0.2980006 -0.0758586), wk = 0.0035714 k( 239) = ( 0.5667000 0.2956805 -0.0599822), wk = 0.0035714 k( 240) = ( 0.5622533 0.2933604 -0.0441058), wk = 0.0035714 k( 241) = ( 0.5578066 0.2910403 -0.0282295), wk = 0.0035714 k( 242) = ( 0.5533600 0.2887202 -0.0123531), wk = 0.0035714 k( 243) = ( 0.5489133 0.2864002 0.0035233), wk = 0.0035714 k( 244) = ( 0.5444666 0.2840801 0.0193997), wk = 0.0035714 k( 245) = ( 0.5400200 0.2817600 0.0352761), wk = 0.0035714 k( 246) = ( 0.5355733 0.2794399 0.0511525), wk = 0.0035714 k( 247) = ( 0.5311267 0.2771198 0.0670289), wk = 0.0035714 k( 248) = ( 0.5266800 0.2747997 0.0829053), wk = 0.0035714 k( 249) = ( 0.5222333 0.2724797 0.0987816), wk = 0.0035714 k( 250) = ( 0.5177867 0.2701596 0.1146580), wk = 0.0035714 k( 251) = ( 0.5133400 0.2678395 0.1305344), wk = 0.0035714 k( 252) = ( 0.5088933 0.2655194 0.1464108), wk = 0.0035714 k( 253) = ( 0.5044467 0.2631993 0.1622872), wk = 0.0035714 k( 254) = ( 0.5000000 0.2608792 0.1781636), wk = 0.0035714 k( 255) = ( 0.5000000 -0.3487093 -0.2381458), wk = 0.0035714 k( 256) = ( 0.5106720 -0.3382741 -0.2310193), wk = 0.0035714 k( 257) = ( 0.5213440 -0.3278390 -0.2238927), wk = 0.0035714 k( 258) = ( 0.5320160 -0.3174038 -0.2167662), wk = 0.0035714 k( 259) = ( 0.5426880 -0.3069686 -0.2096396), wk = 0.0035714 k( 260) = ( 0.5533600 -0.2965334 -0.2025131), wk = 0.0035714 k( 261) = ( 0.5640320 -0.2860983 -0.1953865), wk = 0.0035714 k( 262) = ( 0.5747040 -0.2756631 -0.1882600), wk = 0.0035714 k( 263) = ( 0.5853759 -0.2652280 -0.1811335), wk = 0.0035714 k( 264) = ( 0.5960479 -0.2547928 -0.1740069), wk = 0.0035714 k( 265) = ( 0.6067199 -0.2443576 -0.1668804), wk = 0.0035714 k( 266) = ( 0.6173919 -0.2339224 -0.1597538), wk = 0.0035714 k( 267) = ( 0.6280639 -0.2234873 -0.1526273), wk = 0.0035714 k( 268) = ( 0.6387359 -0.2130521 -0.1455008), wk = 0.0035714 k( 269) = ( 0.6494079 -0.2026169 -0.1383742), wk = 0.0035714 k( 270) = ( 0.6600799 -0.1921818 -0.1312477), wk = 0.0035714 k( 271) = ( 0.6707519 -0.1817466 -0.1241211), wk = 0.0035714 k( 272) = ( 0.6814239 -0.1713114 -0.1169946), wk = 0.0035714 k( 273) = ( 0.6920959 -0.1608763 -0.1098680), wk = 0.0035714 k( 274) = ( 0.7027679 -0.1504411 -0.1027415), wk = 0.0035714 k( 275) = ( 0.7134399 -0.1400059 -0.0956150), wk = 0.0035714 k( 276) = ( 0.7241119 -0.1295708 -0.0884884), wk = 0.0035714 k( 277) = ( 0.7347839 -0.1191356 -0.0813619), wk = 0.0035714 k( 278) = ( 0.7454559 -0.1087004 -0.0742353), wk = 0.0035714 k( 279) = ( 0.7561279 -0.0982652 -0.0671088), wk = 0.0035714 k( 280) = ( 0.7667998 -0.0878301 -0.0599822), wk = 0.0035714 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 2) = ( 0.0128205 0.0000000 0.0000000), wk = 0.0035714 k( 3) = ( 0.0256410 0.0000000 0.0000000), wk = 0.0035714 k( 4) = ( 0.0384615 0.0000000 0.0000000), wk = 0.0035714 k( 5) = ( 0.0512821 -0.0000000 0.0000000), wk = 0.0035714 k( 6) = ( 0.0641026 -0.0000000 0.0000000), wk = 0.0035714 k( 7) = ( 0.0769231 0.0000000 0.0000000), wk = 0.0035714 k( 8) = ( 0.0897436 0.0000000 0.0000000), wk = 0.0035714 k( 9) = ( 0.1025641 -0.0000000 0.0000000), wk = 0.0035714 k( 10) = ( 0.1153846 0.0000000 0.0000000), wk = 0.0035714 k( 11) = ( 0.1282051 -0.0000000 0.0000000), wk = 0.0035714 k( 12) = ( 0.1410256 -0.0000000 0.0000000), wk = 0.0035714 k( 13) = ( 0.1538461 0.0000000 0.0000000), wk = 0.0035714 k( 14) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0035714 k( 15) = ( 0.1794872 0.0000000 0.0000000), wk = 0.0035714 k( 16) = ( 0.1923077 0.0000000 0.0000000), wk = 0.0035714 k( 17) = ( 0.2051282 -0.0000000 0.0000000), wk = 0.0035714 k( 18) = ( 0.2179487 0.0000000 0.0000000), wk = 0.0035714 k( 19) = ( 0.2307692 -0.0000000 0.0000000), wk = 0.0035714 k( 20) = ( 0.2435897 0.0000000 0.0000000), wk = 0.0035714 k( 21) = ( 0.2564103 -0.0000000 0.0000000), wk = 0.0035714 k( 22) = ( 0.2692308 0.0000000 0.0000000), wk = 0.0035714 k( 23) = ( 0.2820513 -0.0000000 0.0000000), wk = 0.0035714 k( 24) = ( 0.2948718 0.0000000 0.0000000), wk = 0.0035714 k( 25) = ( 0.3076923 0.0000000 0.0000000), wk = 0.0035714 k( 26) = ( 0.3205128 0.0000000 0.0000000), wk = 0.0035714 k( 27) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0035714 k( 28) = ( 0.3461538 0.0000000 0.0000000), wk = 0.0035714 k( 29) = ( 0.3589744 0.0000000 0.0000000), wk = 0.0035714 k( 30) = ( 0.3717949 -0.0000000 0.0000000), wk = 0.0035714 k( 31) = ( 0.3846154 0.0000000 0.0000000), wk = 0.0035714 k( 32) = ( 0.3974359 0.0000000 0.0000000), wk = 0.0035714 k( 33) = ( 0.4102564 0.0000000 0.0000000), wk = 0.0035714 k( 34) = ( 0.4230769 0.0000000 0.0000000), wk = 0.0035714 k( 35) = ( 0.4358974 0.0000000 0.0000000), wk = 0.0035714 k( 36) = ( 0.4487179 0.0000000 0.0000000), wk = 0.0035714 k( 37) = ( 0.4615385 -0.0000000 0.0000000), wk = 0.0035714 k( 38) = ( 0.4743590 0.0000000 0.0000000), wk = 0.0035714 k( 39) = ( 0.4871795 0.0000000 0.0000000), wk = 0.0035714 k( 40) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035714 k( 41) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035714 k( 42) = ( 0.5000000 0.0077733 -0.0077733), wk = 0.0035714 k( 43) = ( 0.5000000 0.0155467 -0.0155467), wk = 0.0035714 k( 44) = ( 0.5000000 0.0233200 -0.0233200), wk = 0.0035714 k( 45) = ( 0.5000000 0.0310934 -0.0310933), wk = 0.0035714 k( 46) = ( 0.5000000 0.0388667 -0.0388667), wk = 0.0035714 k( 47) = ( 0.5000000 0.0466400 -0.0466400), wk = 0.0035714 k( 48) = ( 0.5000000 0.0544134 -0.0544134), wk = 0.0035714 k( 49) = ( 0.5000000 0.0621867 -0.0621867), wk = 0.0035714 k( 50) = ( 0.5000000 0.0699600 -0.0699600), wk = 0.0035714 k( 51) = ( 0.5000000 0.0777334 -0.0777334), wk = 0.0035714 k( 52) = ( 0.5000000 0.0855067 -0.0855067), wk = 0.0035714 k( 53) = ( 0.5000000 0.0932801 -0.0932801), wk = 0.0035714 k( 54) = ( 0.5000000 0.1010534 -0.1010534), wk = 0.0035714 k( 55) = ( 0.5000000 0.1088267 -0.1088267), wk = 0.0035714 k( 56) = ( 0.5000000 0.1166001 -0.1166001), wk = 0.0035714 k( 57) = ( 0.5000000 0.1243734 -0.1243734), wk = 0.0035714 k( 58) = ( 0.5000000 0.1321468 -0.1321467), wk = 0.0035714 k( 59) = ( 0.5000000 0.1399201 -0.1399201), wk = 0.0035714 k( 60) = ( 0.5000000 0.1476934 -0.1476934), wk = 0.0035714 k( 61) = ( 0.5000000 0.1554668 -0.1554668), wk = 0.0035714 k( 62) = ( 0.5000000 0.1632401 -0.1632401), wk = 0.0035714 k( 63) = ( 0.5000000 0.1710135 -0.1710134), wk = 0.0035714 k( 64) = ( 0.5000000 0.1787868 -0.1787868), wk = 0.0035714 k( 65) = ( 0.5000000 0.1865601 -0.1865601), wk = 0.0035714 k( 66) = ( 0.5000000 0.1943335 -0.1943335), wk = 0.0035714 k( 67) = ( 0.5000000 0.2021068 -0.2021068), wk = 0.0035714 k( 68) = ( 0.5000000 0.2098801 -0.2098801), wk = 0.0035714 k( 69) = ( 0.5000000 0.2176535 -0.2176535), wk = 0.0035714 k( 70) = ( 0.5000000 0.2254268 -0.2254268), wk = 0.0035714 k( 71) = ( 0.5000000 0.2332001 -0.2332001), wk = 0.0035714 k( 72) = ( 0.7667998 0.5000000 0.2332002), wk = 0.0035714 k( 73) = ( 0.7589528 0.5000000 0.2410472), wk = 0.0035714 k( 74) = ( 0.7511057 0.5000000 0.2488943), wk = 0.0035714 k( 75) = ( 0.7432587 0.5000000 0.2567413), wk = 0.0035714 k( 76) = ( 0.7354116 0.5000000 0.2645884), wk = 0.0035714 k( 77) = ( 0.7275646 0.5000000 0.2724354), wk = 0.0035714 k( 78) = ( 0.7197175 0.5000000 0.2802825), wk = 0.0035714 k( 79) = ( 0.7118705 0.5000000 0.2881295), wk = 0.0035714 k( 80) = ( 0.7040234 0.5000000 0.2959766), wk = 0.0035714 k( 81) = ( 0.6961764 0.5000000 0.3038236), wk = 0.0035714 k( 82) = ( 0.6883293 0.5000000 0.3116707), wk = 0.0035714 k( 83) = ( 0.6804822 0.5000000 0.3195178), wk = 0.0035714 k( 84) = ( 0.6726352 0.5000000 0.3273648), wk = 0.0035714 k( 85) = ( 0.6647881 0.5000000 0.3352119), wk = 0.0035714 k( 86) = ( 0.6569411 0.5000000 0.3430589), wk = 0.0035714 k( 87) = ( 0.6490940 0.5000000 0.3509060), wk = 0.0035714 k( 88) = ( 0.6412470 0.5000000 0.3587530), wk = 0.0035714 k( 89) = ( 0.6333999 0.5000000 0.3666001), wk = 0.0035714 k( 90) = ( 0.6255529 0.5000000 0.3744471), wk = 0.0035714 k( 91) = ( 0.6177058 0.5000000 0.3822942), wk = 0.0035714 k( 92) = ( 0.6098588 0.5000000 0.3901412), wk = 0.0035714 k( 93) = ( 0.6020117 0.5000000 0.3979883), wk = 0.0035714 k( 94) = ( 0.5941646 0.5000000 0.4058353), wk = 0.0035714 k( 95) = ( 0.5863176 0.5000000 0.4136824), wk = 0.0035714 k( 96) = ( 0.5784705 0.5000000 0.4215295), wk = 0.0035714 k( 97) = ( 0.5706235 0.5000000 0.4293765), wk = 0.0035714 k( 98) = ( 0.5627764 0.5000000 0.4372236), wk = 0.0035714 k( 99) = ( 0.5549294 0.5000000 0.4450706), wk = 0.0035714 k( 100) = ( 0.5470823 0.5000000 0.4529177), wk = 0.0035714 k( 101) = ( 0.5392353 0.5000000 0.4607647), wk = 0.0035714 k( 102) = ( 0.5313882 0.5000000 0.4686118), wk = 0.0035714 k( 103) = ( 0.5235412 0.5000000 0.4764588), wk = 0.0035714 k( 104) = ( 0.5156941 0.5000000 0.4843059), wk = 0.0035714 k( 105) = ( 0.5078470 0.5000000 0.4921529), wk = 0.0035714 k( 106) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035714 k( 107) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035714 k( 108) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0035714 k( 109) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0035714 k( 110) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0035714 k( 111) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0035714 k( 112) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0035714 k( 113) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0035714 k( 114) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0035714 k( 115) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0035714 k( 116) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0035714 k( 117) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0035714 k( 118) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0035714 k( 119) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0035714 k( 120) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0035714 k( 121) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0035714 k( 122) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0035714 k( 123) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0035714 k( 124) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0035714 k( 125) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0035714 k( 126) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0035714 k( 127) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0035714 k( 128) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0035714 k( 129) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0035714 k( 130) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0035714 k( 131) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0035714 k( 132) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0035714 k( 133) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0035714 k( 134) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0035714 k( 135) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0035714 k( 136) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0035714 k( 137) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0035714 k( 138) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0035714 k( 139) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0035714 k( 140) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0035714 k( 141) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0035714 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 144) = ( 0.0078000 0.0000000 -0.0078000), wk = 0.0035714 k( 145) = ( 0.0156000 0.0000000 -0.0156000), wk = 0.0035714 k( 146) = ( 0.0234000 0.0000000 -0.0234000), wk = 0.0035714 k( 147) = ( 0.0312000 -0.0000000 -0.0312000), wk = 0.0035714 k( 148) = ( 0.0390000 0.0000000 -0.0390000), wk = 0.0035714 k( 149) = ( 0.0468000 0.0000000 -0.0468000), wk = 0.0035714 k( 150) = ( 0.0546000 0.0000000 -0.0546000), wk = 0.0035714 k( 151) = ( 0.0624000 0.0000000 -0.0624000), wk = 0.0035714 k( 152) = ( 0.0702000 0.0000000 -0.0702000), wk = 0.0035714 k( 153) = ( 0.0780000 0.0000000 -0.0780000), wk = 0.0035714 k( 154) = ( 0.0858000 0.0000000 -0.0858000), wk = 0.0035714 k( 155) = ( 0.0936000 0.0000000 -0.0936000), wk = 0.0035714 k( 156) = ( 0.1014000 -0.0000000 -0.1014000), wk = 0.0035714 k( 157) = ( 0.1092000 0.0000000 -0.1092000), wk = 0.0035714 k( 158) = ( 0.1170000 -0.0000000 -0.1170000), wk = 0.0035714 k( 159) = ( 0.1248000 0.0000000 -0.1248000), wk = 0.0035714 k( 160) = ( 0.1326000 0.0000000 -0.1326000), wk = 0.0035714 k( 161) = ( 0.1404000 -0.0000000 -0.1404000), wk = 0.0035714 k( 162) = ( 0.1482000 0.0000000 -0.1482000), wk = 0.0035714 k( 163) = ( 0.1560000 -0.0000000 -0.1560000), wk = 0.0035714 k( 164) = ( 0.1638000 0.0000000 -0.1638000), wk = 0.0035714 k( 165) = ( 0.1716000 0.0000000 -0.1716000), wk = 0.0035714 k( 166) = ( 0.1794000 0.0000000 -0.1794000), wk = 0.0035714 k( 167) = ( 0.1872000 0.0000000 -0.1872000), wk = 0.0035714 k( 168) = ( 0.1950000 0.0000000 -0.1950000), wk = 0.0035714 k( 169) = ( 0.2028000 -0.0000000 -0.2028000), wk = 0.0035714 k( 170) = ( 0.2106000 0.0000000 -0.2106000), wk = 0.0035714 k( 171) = ( 0.2184001 -0.0000000 -0.2184001), wk = 0.0035714 k( 172) = ( 0.2262001 0.0000000 -0.2262000), wk = 0.0035714 k( 173) = ( 0.2340000 0.0000000 -0.2340000), wk = 0.0035714 k( 174) = ( 0.2418000 0.0000000 -0.2418000), wk = 0.0035714 k( 175) = ( 0.2496000 0.0000000 -0.2496000), wk = 0.0035714 k( 176) = ( 0.2574000 -0.0000000 -0.2574000), wk = 0.0035714 k( 177) = ( 0.2652001 0.0000000 -0.2652001), wk = 0.0035714 k( 178) = ( 0.2730001 0.0000000 -0.2730001), wk = 0.0035714 k( 179) = ( 0.2808001 -0.0000000 -0.2808001), wk = 0.0035714 k( 180) = ( 0.2886001 0.0000000 -0.2886001), wk = 0.0035714 k( 181) = ( 0.2964001 0.0000000 -0.2964001), wk = 0.0035714 k( 182) = ( 0.3042001 0.0000000 -0.3042001), wk = 0.0035714 k( 183) = ( 0.3120001 0.0000000 -0.3120001), wk = 0.0035714 k( 184) = ( 0.3198001 0.0000000 -0.3198001), wk = 0.0035714 k( 185) = ( 0.3276001 0.0000000 -0.3276001), wk = 0.0035714 k( 186) = ( 0.3354001 0.0000000 -0.3354001), wk = 0.0035714 k( 187) = ( 0.3432001 -0.0000000 -0.3432001), wk = 0.0035714 k( 188) = ( 0.3510001 0.0000000 -0.3510001), wk = 0.0035714 k( 189) = ( 0.3588001 0.0000000 -0.3588001), wk = 0.0035714 k( 190) = ( 0.3666001 0.0000000 -0.3666001), wk = 0.0035714 k( 191) = ( 0.6333999 0.3666001 0.0000000), wk = 0.0035714 k( 192) = ( 0.6255529 0.3744471 0.0000000), wk = 0.0035714 k( 193) = ( 0.6177058 0.3822942 0.0000000), wk = 0.0035714 k( 194) = ( 0.6098588 0.3901412 0.0000000), wk = 0.0035714 k( 195) = ( 0.6020117 0.3979883 0.0000000), wk = 0.0035714 k( 196) = ( 0.5941646 0.4058353 0.0000000), wk = 0.0035714 k( 197) = ( 0.5863176 0.4136824 0.0000000), wk = 0.0035714 k( 198) = ( 0.5784705 0.4215295 0.0000000), wk = 0.0035714 k( 199) = ( 0.5706235 0.4293765 0.0000000), wk = 0.0035714 k( 200) = ( 0.5627764 0.4372236 0.0000000), wk = 0.0035714 k( 201) = ( 0.5549294 0.4450706 0.0000000), wk = 0.0035714 k( 202) = ( 0.5470823 0.4529177 0.0000000), wk = 0.0035714 k( 203) = ( 0.5392353 0.4607647 0.0000000), wk = 0.0035714 k( 204) = ( 0.5313882 0.4686118 0.0000000), wk = 0.0035714 k( 205) = ( 0.5235412 0.4764588 0.0000000), wk = 0.0035714 k( 206) = ( 0.5156941 0.4843059 -0.0000000), wk = 0.0035714 k( 207) = ( 0.5078470 0.4921529 0.0000000), wk = 0.0035714 k( 208) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035714 k( 209) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035714 k( 210) = ( 0.5095286 0.5095286 0.0166572), wk = 0.0035714 k( 211) = ( 0.5190571 0.5190571 0.0333143), wk = 0.0035714 k( 212) = ( 0.5285857 0.5285857 0.0499715), wk = 0.0035714 k( 213) = ( 0.5381143 0.5381143 0.0666286), wk = 0.0035714 k( 214) = ( 0.5476428 0.5476428 0.0832858), wk = 0.0035714 k( 215) = ( 0.5571714 0.5571714 0.0999429), wk = 0.0035714 k( 216) = ( 0.5667000 0.5667000 0.1166001), wk = 0.0035714 k( 217) = ( 0.5762285 0.5762285 0.1332572), wk = 0.0035714 k( 218) = ( 0.5857571 0.5857571 0.1499144), wk = 0.0035714 k( 219) = ( 0.5952857 0.5952857 0.1665715), wk = 0.0035714 k( 220) = ( 0.6048142 0.6048142 0.1832287), wk = 0.0035714 k( 221) = ( 0.6143428 0.6143428 0.1998859), wk = 0.0035714 k( 222) = ( 0.6238714 0.6238714 0.2165430), wk = 0.0035714 k( 223) = ( 0.6333999 0.6333999 0.2332002), wk = 0.0035714 k( 224) = ( 0.6333999 0.6333999 0.2332002), wk = 0.0035714 k( 225) = ( 0.6289533 0.6289533 0.2420935), wk = 0.0035714 k( 226) = ( 0.6245066 0.6245066 0.2509868), wk = 0.0035714 k( 227) = ( 0.6200599 0.6200599 0.2598801), wk = 0.0035714 k( 228) = ( 0.6156133 0.6156133 0.2687735), wk = 0.0035714 k( 229) = ( 0.6111666 0.6111666 0.2776668), wk = 0.0035714 k( 230) = ( 0.6067199 0.6067199 0.2865601), wk = 0.0035714 k( 231) = ( 0.6022733 0.6022733 0.2954535), wk = 0.0035714 k( 232) = ( 0.5978266 0.5978266 0.3043468), wk = 0.0035714 k( 233) = ( 0.5933799 0.5933799 0.3132401), wk = 0.0035714 k( 234) = ( 0.5889333 0.5889333 0.3221334), wk = 0.0035714 k( 235) = ( 0.5844866 0.5844866 0.3310268), wk = 0.0035714 k( 236) = ( 0.5800399 0.5800399 0.3399201), wk = 0.0035714 k( 237) = ( 0.5755933 0.5755933 0.3488134), wk = 0.0035714 k( 238) = ( 0.5711466 0.5711466 0.3577068), wk = 0.0035714 k( 239) = ( 0.5667000 0.5667000 0.3666001), wk = 0.0035714 k( 240) = ( 0.5622533 0.5622533 0.3754934), wk = 0.0035714 k( 241) = ( 0.5578066 0.5578066 0.3843867), wk = 0.0035714 k( 242) = ( 0.5533600 0.5533600 0.3932801), wk = 0.0035714 k( 243) = ( 0.5489133 0.5489133 0.4021734), wk = 0.0035714 k( 244) = ( 0.5444666 0.5444666 0.4110667), wk = 0.0035714 k( 245) = ( 0.5400200 0.5400200 0.4199600), wk = 0.0035714 k( 246) = ( 0.5355733 0.5355733 0.4288534), wk = 0.0035714 k( 247) = ( 0.5311267 0.5311267 0.4377467), wk = 0.0035714 k( 248) = ( 0.5266800 0.5266800 0.4466400), wk = 0.0035714 k( 249) = ( 0.5222333 0.5222333 0.4555334), wk = 0.0035714 k( 250) = ( 0.5177867 0.5177867 0.4644267), wk = 0.0035714 k( 251) = ( 0.5133400 0.5133400 0.4733200), wk = 0.0035714 k( 252) = ( 0.5088933 0.5088933 0.4822133), wk = 0.0035714 k( 253) = ( 0.5044467 0.5044467 0.4911067), wk = 0.0035714 k( 254) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035714 k( 255) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035714 k( 256) = ( 0.5106720 0.0146640 0.0146640), wk = 0.0035714 k( 257) = ( 0.5213440 0.0293280 0.0293280), wk = 0.0035714 k( 258) = ( 0.5320160 0.0439920 0.0439920), wk = 0.0035714 k( 259) = ( 0.5426880 0.0586560 0.0586560), wk = 0.0035714 k( 260) = ( 0.5533600 0.0733200 0.0733200), wk = 0.0035714 k( 261) = ( 0.5640320 0.0879840 0.0879840), wk = 0.0035714 k( 262) = ( 0.5747040 0.1026480 0.1026480), wk = 0.0035714 k( 263) = ( 0.5853759 0.1173120 0.1173120), wk = 0.0035714 k( 264) = ( 0.5960479 0.1319760 0.1319760), wk = 0.0035714 k( 265) = ( 0.6067199 0.1466400 0.1466400), wk = 0.0035714 k( 266) = ( 0.6173919 0.1613040 0.1613040), wk = 0.0035714 k( 267) = ( 0.6280639 0.1759680 0.1759680), wk = 0.0035714 k( 268) = ( 0.6387359 0.1906320 0.1906320), wk = 0.0035714 k( 269) = ( 0.6494079 0.2052960 0.2052960), wk = 0.0035714 k( 270) = ( 0.6600799 0.2199600 0.2199601), wk = 0.0035714 k( 271) = ( 0.6707519 0.2346241 0.2346241), wk = 0.0035714 k( 272) = ( 0.6814239 0.2492881 0.2492881), wk = 0.0035714 k( 273) = ( 0.6920959 0.2639521 0.2639521), wk = 0.0035714 k( 274) = ( 0.7027679 0.2786161 0.2786161), wk = 0.0035714 k( 275) = ( 0.7134399 0.2932801 0.2932801), wk = 0.0035714 k( 276) = ( 0.7241119 0.3079441 0.3079441), wk = 0.0035714 k( 277) = ( 0.7347839 0.3226081 0.3226081), wk = 0.0035714 k( 278) = ( 0.7454559 0.3372721 0.3372721), wk = 0.0035714 k( 279) = ( 0.7561279 0.3519361 0.3519361), wk = 0.0035714 k( 280) = ( 0.7667998 0.3666001 0.3666001), wk = 0.0035714 Dense grid: 98643 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 94339 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.70 Mb ( 670, 68) NL pseudopotentials 0.67 Mb ( 335, 132) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2740) G-vector shells 0.02 Mb ( 2179) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.78 Mb ( 670, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.27 Mb ( 132, 2, 68) The potential is recalculated from file : ./LiAuF6.save/charge-density.dat negative rho (up, down): 1.045E-02 0.000E+00 Starting wfc are 76 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 4.6 secs Computing kpt #: 3 total cpu time spent up to now is 5.9 secs Computing kpt #: 4 total cpu time spent up to now is 7.2 secs Computing kpt #: 5 total cpu time spent up to now is 8.5 secs Computing kpt #: 6 total cpu time spent up to now is 9.9 secs Computing kpt #: 7 total cpu time spent up to now is 11.3 secs Computing kpt #: 8 total cpu time spent up to now is 12.6 secs Computing kpt #: 9 total cpu time spent up to now is 14.0 secs Computing kpt #: 10 total cpu time spent up to now is 15.3 secs Computing kpt #: 11 total cpu time spent up to now is 16.7 secs Computing kpt #: 12 total cpu time spent up to now is 18.0 secs Computing kpt #: 13 total cpu time spent up to now is 19.4 secs Computing kpt #: 14 total cpu time spent up to now is 20.8 secs Computing kpt #: 15 total cpu time spent up to now is 22.1 secs Computing kpt #: 16 total cpu time spent up to now is 23.4 secs Computing kpt #: 17 total cpu time spent up to now is 24.8 secs Computing kpt #: 18 total cpu time spent up to now is 26.1 secs Computing kpt #: 19 total cpu time spent up to now is 27.5 secs Computing kpt #: 20 total cpu time spent up to now is 28.6 secs Computing kpt #: 21 total cpu time spent up to now is 30.0 secs Computing kpt #: 22 total cpu time spent up to now is 31.2 secs Computing kpt #: 23 total cpu time spent up to now is 32.3 secs Computing kpt #: 24 total cpu time spent up to now is 33.5 secs Computing kpt #: 25 total cpu time spent up to now is 34.7 secs Computing kpt #: 26 total cpu time spent up to now is 35.9 secs Computing kpt #: 27 total cpu time spent up to now is 37.2 secs Computing kpt #: 28 total cpu time spent up to now is 38.6 secs Computing kpt #: 29 total cpu time spent up to now is 39.9 secs Computing kpt #: 30 total cpu time spent up to now is 41.2 secs Computing kpt #: 31 total cpu time spent up to now is 42.6 secs Computing kpt #: 32 total cpu time spent up to now is 43.9 secs Computing kpt #: 33 total cpu time spent up to now is 45.3 secs Computing kpt #: 34 total cpu time spent up to now is 46.6 secs Computing kpt #: 35 total cpu time spent up to now is 48.0 secs Computing kpt #: 36 total cpu time spent up to now is 49.4 secs Computing kpt #: 37 total cpu time spent up to now is 50.7 secs Computing kpt #: 38 total cpu time spent up to now is 52.1 secs Computing kpt #: 39 total cpu time spent up to now is 53.5 secs Computing kpt #: 40 total cpu time spent up to now is 54.9 secs Computing kpt #: 41 total cpu time spent up to now is 56.2 secs Computing kpt #: 42 total cpu time spent up to now is 57.6 secs Computing kpt #: 43 total cpu time spent up to now is 58.9 secs Computing kpt #: 44 total cpu time spent up to now is 60.3 secs Computing kpt #: 45 total cpu time spent up to now is 61.6 secs Computing kpt #: 46 total cpu time spent up to now is 63.0 secs Computing kpt #: 47 total cpu time spent up to now is 64.4 secs Computing kpt #: 48 total cpu time spent up to now is 65.7 secs Computing kpt #: 49 total cpu time spent up to now is 67.1 secs Computing kpt #: 50 total cpu time spent up to now is 68.4 secs Computing kpt #: 51 total cpu time spent up to now is 69.6 secs Computing kpt #: 52 total cpu time spent up to now is 70.7 secs Computing kpt #: 53 total cpu time spent up to now is 72.0 secs Computing kpt #: 54 total cpu time spent up to now is 73.1 secs Computing kpt #: 55 total cpu time spent up to now is 74.3 secs Computing kpt #: 56 total cpu time spent up to now is 75.4 secs Computing kpt #: 57 total cpu time spent up to now is 76.5 secs Computing kpt #: 58 total cpu time spent up to now is 77.6 secs Computing kpt #: 59 total cpu time spent up to now is 78.7 secs Computing kpt #: 60 total cpu time spent up to now is 79.8 secs Computing kpt #: 61 total cpu time spent up to now is 80.9 secs Computing kpt #: 62 total cpu time spent up to now is 81.9 secs Computing kpt #: 63 total cpu time spent up to now is 83.0 secs Computing kpt #: 64 total cpu time spent up to now is 84.1 secs Computing kpt #: 65 total cpu time spent up to now is 85.1 secs Computing kpt #: 66 total cpu time spent up to now is 86.2 secs Computing kpt #: 67 total cpu time spent up to now is 87.2 secs Computing kpt #: 68 total cpu time spent up to now is 88.3 secs Computing kpt #: 69 total cpu time spent up to now is 89.3 secs Computing kpt #: 70 total cpu time spent up to now is 90.3 secs Computing kpt #: 71 total cpu time spent up to now is 91.4 secs Computing kpt #: 72 total cpu time spent up to now is 92.4 secs Computing kpt #: 73 total cpu time spent up to now is 93.4 secs Computing kpt #: 74 total cpu time spent up to now is 94.5 secs Computing kpt #: 75 total cpu time spent up to now is 95.5 secs Computing kpt #: 76 total cpu time spent up to now is 96.5 secs Computing kpt #: 77 total cpu time spent up to now is 97.6 secs Computing kpt #: 78 total cpu time spent up to now is 98.6 secs Computing kpt #: 79 total cpu time spent up to now is 99.6 secs Computing kpt #: 80 total cpu time spent up to now is 100.7 secs Computing kpt #: 81 total cpu time spent up to now is 101.7 secs Computing kpt #: 82 total cpu time spent up to now is 102.8 secs Computing kpt #: 83 total cpu time spent up to now is 103.8 secs Computing kpt #: 84 total cpu time spent up to now is 104.9 secs Computing kpt #: 85 total cpu time spent up to now is 105.9 secs Computing kpt #: 86 total cpu time spent up to now is 107.1 secs Computing kpt #: 87 total cpu time spent up to now is 108.1 secs Computing kpt #: 88 total cpu time spent up to now is 109.2 secs Computing kpt #: 89 total cpu time spent up to now is 110.3 secs Computing kpt #: 90 total cpu time spent up to now is 111.4 secs Computing kpt #: 91 total cpu time spent up to now is 112.5 secs Computing kpt #: 92 total cpu time spent up to now is 113.6 secs Computing kpt #: 93 total cpu time spent up to now is 114.7 secs Computing kpt #: 94 total cpu time spent up to now is 115.8 secs Computing kpt #: 95 total cpu time spent up to now is 117.0 secs Computing kpt #: 96 total cpu time spent up to now is 118.1 secs Computing kpt #: 97 total cpu time spent up to now is 119.5 secs Computing kpt #: 98 total cpu time spent up to now is 120.8 secs Computing kpt #: 99 total cpu time spent up to now is 122.2 secs Computing kpt #: 100 total cpu time spent up to now is 123.5 secs Computing kpt #: 101 total cpu time spent up to now is 124.9 secs Computing kpt #: 102 total cpu time spent up to now is 126.2 secs Computing kpt #: 103 total cpu time spent up to now is 127.6 secs Computing kpt #: 104 total cpu time spent up to now is 129.0 secs Computing kpt #: 105 total cpu time spent up to now is 130.7 secs Computing kpt #: 106 total cpu time spent up to now is 132.5 secs Computing kpt #: 107 total cpu time spent up to now is 134.2 secs Computing kpt #: 108 total cpu time spent up to now is 136.1 secs Computing kpt #: 109 total cpu time spent up to now is 137.8 secs Computing kpt #: 110 total cpu time spent up to now is 139.4 secs Computing kpt #: 111 total cpu time spent up to now is 140.9 secs Computing kpt #: 112 total cpu time spent up to now is 142.3 secs Computing kpt #: 113 total cpu time spent up to now is 143.7 secs Computing kpt #: 114 total cpu time spent up to now is 145.1 secs Computing kpt #: 115 total cpu time spent up to now is 146.4 secs Computing kpt #: 116 total cpu time spent up to now is 147.8 secs Computing kpt #: 117 total cpu time spent up to now is 149.2 secs Computing kpt #: 118 total cpu time spent up to now is 150.5 secs Computing kpt #: 119 total cpu time spent up to now is 152.1 secs Computing kpt #: 120 total cpu time spent up to now is 153.4 secs Computing kpt #: 121 total cpu time spent up to now is 154.8 secs Computing kpt #: 122 total cpu time spent up to now is 156.1 secs Computing kpt #: 123 total cpu time spent up to now is 157.6 secs Computing kpt #: 124 total cpu time spent up to now is 158.9 secs Computing kpt #: 125 total cpu time spent up to now is 160.3 secs Computing kpt #: 126 total cpu time spent up to now is 161.7 secs Computing kpt #: 127 total cpu time spent up to now is 163.0 secs Computing kpt #: 128 total cpu time spent up to now is 164.4 secs Computing kpt #: 129 total cpu time spent up to now is 165.7 secs Computing kpt #: 130 total cpu time spent up to now is 167.1 secs Computing kpt #: 131 total cpu time spent up to now is 168.4 secs Computing kpt #: 132 total cpu time spent up to now is 169.8 secs Computing kpt #: 133 total cpu time spent up to now is 171.1 secs Computing kpt #: 134 total cpu time spent up to now is 172.5 secs Computing kpt #: 135 total cpu time spent up to now is 173.8 secs Computing kpt #: 136 total cpu time spent up to now is 175.2 secs Computing kpt #: 137 total cpu time spent up to now is 176.5 secs Computing kpt #: 138 total cpu time spent up to now is 177.8 secs Computing kpt #: 139 total cpu time spent up to now is 179.2 secs Computing kpt #: 140 total cpu time spent up to now is 180.5 secs Computing kpt #: 141 total cpu time spent up to now is 181.8 secs Computing kpt #: 142 total cpu time spent up to now is 183.1 secs Computing kpt #: 143 total cpu time spent up to now is 184.4 secs Computing kpt #: 144 total cpu time spent up to now is 185.7 secs Computing kpt #: 145 total cpu time spent up to now is 187.0 secs Computing kpt #: 146 total cpu time spent up to now is 188.4 secs Computing kpt #: 147 total cpu time spent up to now is 189.7 secs Computing kpt #: 148 total cpu time spent up to now is 191.1 secs Computing kpt #: 149 total cpu time spent up to now is 192.4 secs Computing kpt #: 150 total cpu time spent up to now is 193.8 secs Computing kpt #: 151 total cpu time spent up to now is 195.2 secs Computing kpt #: 152 total cpu time spent up to now is 196.5 secs Computing kpt #: 153 total cpu time spent up to now is 197.9 secs Computing kpt #: 154 total cpu time spent up to now is 199.3 secs Computing kpt #: 155 total cpu time spent up to now is 200.6 secs Computing kpt #: 156 total cpu time spent up to now is 202.0 secs Computing kpt #: 157 total cpu time spent up to now is 203.3 secs Computing kpt #: 158 total cpu time spent up to now is 204.7 secs Computing kpt #: 159 total cpu time spent up to now is 206.0 secs Computing kpt #: 160 total cpu time spent up to now is 207.4 secs Computing kpt #: 161 total cpu time spent up to now is 208.7 secs Computing kpt #: 162 total cpu time spent up to now is 210.1 secs Computing kpt #: 163 total cpu time spent up to now is 211.4 secs Computing kpt #: 164 total cpu time spent up to now is 212.8 secs Computing kpt #: 165 total cpu time spent up to now is 214.2 secs Computing kpt #: 166 total cpu time spent up to now is 215.5 secs Computing kpt #: 167 total cpu time spent up to now is 216.9 secs Computing kpt #: 168 total cpu time spent up to now is 218.2 secs Computing kpt #: 169 total cpu time spent up to now is 219.6 secs Computing kpt #: 170 total cpu time spent up to now is 220.9 secs Computing kpt #: 171 total cpu time spent up to now is 222.3 secs Computing kpt #: 172 total cpu time spent up to now is 223.6 secs Computing kpt #: 173 total cpu time spent up to now is 225.0 secs Computing kpt #: 174 total cpu time spent up to now is 226.3 secs Computing kpt #: 175 total cpu time spent up to now is 227.6 secs Computing kpt #: 176 total cpu time spent up to now is 228.9 secs Computing kpt #: 177 total cpu time spent up to now is 230.3 secs Computing kpt #: 178 total cpu time spent up to now is 231.6 secs Computing kpt #: 179 total cpu time spent up to now is 232.7 secs Computing kpt #: 180 total cpu time spent up to now is 234.0 secs Computing kpt #: 181 total cpu time spent up to now is 235.4 secs Computing kpt #: 182 total cpu time spent up to now is 236.7 secs Computing kpt #: 183 total cpu time spent up to now is 237.8 secs Computing kpt #: 184 total cpu time spent up to now is 239.1 secs Computing kpt #: 185 total cpu time spent up to now is 240.7 secs Computing kpt #: 186 total cpu time spent up to now is 241.8 secs Computing kpt #: 187 total cpu time spent up to now is 243.0 secs Computing kpt #: 188 total cpu time spent up to now is 244.1 secs Computing kpt #: 189 total cpu time spent up to now is 245.2 secs Computing kpt #: 190 total cpu time spent up to now is 246.4 secs Computing kpt #: 191 total cpu time spent up to now is 247.5 secs Computing kpt #: 192 total cpu time spent up to now is 248.6 secs Computing kpt #: 193 total cpu time spent up to now is 249.8 secs Computing kpt #: 194 total cpu time spent up to now is 250.9 secs Computing kpt #: 195 total cpu time spent up to now is 252.0 secs Computing kpt #: 196 total cpu time spent up to now is 253.1 secs Computing kpt #: 197 total cpu time spent up to now is 254.2 secs Computing kpt #: 198 total cpu time spent up to now is 255.3 secs Computing kpt #: 199 total cpu time spent up to now is 256.5 secs Computing kpt #: 200 total cpu time spent up to now is 257.6 secs Computing kpt #: 201 total cpu time spent up to now is 258.7 secs Computing kpt #: 202 total cpu time spent up to now is 259.8 secs Computing kpt #: 203 total cpu time spent up to now is 260.9 secs Computing kpt #: 204 total cpu time spent up to now is 262.1 secs Computing kpt #: 205 total cpu time spent up to now is 263.2 secs Computing kpt #: 206 total cpu time spent up to now is 264.3 secs Computing kpt #: 207 total cpu time spent up to now is 265.4 secs Computing kpt #: 208 total cpu time spent up to now is 266.7 secs Computing kpt #: 209 total cpu time spent up to now is 268.0 secs Computing kpt #: 210 total cpu time spent up to now is 269.3 secs Computing kpt #: 211 total cpu time spent up to now is 270.5 secs Computing kpt #: 212 total cpu time spent up to now is 271.6 secs Computing kpt #: 213 total cpu time spent up to now is 272.7 secs Computing kpt #: 214 total cpu time spent up to now is 273.8 secs Computing kpt #: 215 total cpu time spent up to now is 274.9 secs Computing kpt #: 216 total cpu time spent up to now is 276.1 secs Computing kpt #: 217 total cpu time spent up to now is 277.2 secs Computing kpt #: 218 total cpu time spent up to now is 278.3 secs Computing kpt #: 219 total cpu time spent up to now is 279.4 secs Computing kpt #: 220 total cpu time spent up to now is 280.5 secs Computing kpt #: 221 total cpu time spent up to now is 281.6 secs Computing kpt #: 222 total cpu time spent up to now is 282.7 secs Computing kpt #: 223 total cpu time spent up to now is 283.8 secs Computing kpt #: 224 total cpu time spent up to now is 284.9 secs Computing kpt #: 225 total cpu time spent up to now is 286.0 secs Computing kpt #: 226 total cpu time spent up to now is 287.1 secs Computing kpt #: 227 total cpu time spent up to now is 288.2 secs Computing kpt #: 228 total cpu time spent up to now is 289.4 secs Computing kpt #: 229 total cpu time spent up to now is 290.5 secs Computing kpt #: 230 total cpu time spent up to now is 291.6 secs Computing kpt #: 231 total cpu time spent up to now is 292.7 secs Computing kpt #: 232 total cpu time spent up to now is 293.8 secs Computing kpt #: 233 total cpu time spent up to now is 295.0 secs Computing kpt #: 234 total cpu time spent up to now is 296.1 secs Computing kpt #: 235 total cpu time spent up to now is 297.5 secs Computing kpt #: 236 total cpu time spent up to now is 298.8 secs Computing kpt #: 237 total cpu time spent up to now is 300.1 secs Computing kpt #: 238 total cpu time spent up to now is 301.5 secs Computing kpt #: 239 total cpu time spent up to now is 302.8 secs Computing kpt #: 240 total cpu time spent up to now is 304.1 secs Computing kpt #: 241 total cpu time spent up to now is 305.5 secs Computing kpt #: 242 total cpu time spent up to now is 306.8 secs Computing kpt #: 243 total cpu time spent up to now is 308.2 secs Computing kpt #: 244 total cpu time spent up to now is 309.5 secs Computing kpt #: 245 total cpu time spent up to now is 310.9 secs Computing kpt #: 246 total cpu time spent up to now is 312.3 secs Computing kpt #: 247 total cpu time spent up to now is 313.6 secs Computing kpt #: 248 total cpu time spent up to now is 315.0 secs Computing kpt #: 249 total cpu time spent up to now is 316.3 secs Computing kpt #: 250 total cpu time spent up to now is 317.7 secs Computing kpt #: 251 total cpu time spent up to now is 319.1 secs Computing kpt #: 252 total cpu time spent up to now is 320.4 secs Computing kpt #: 253 total cpu time spent up to now is 322.0 secs Computing kpt #: 254 total cpu time spent up to now is 323.3 secs Computing kpt #: 255 total cpu time spent up to now is 324.7 secs Computing kpt #: 256 total cpu time spent up to now is 326.1 secs Computing kpt #: 257 total cpu time spent up to now is 327.4 secs Computing kpt #: 258 total cpu time spent up to now is 328.8 secs Computing kpt #: 259 total cpu time spent up to now is 330.1 secs Computing kpt #: 260 total cpu time spent up to now is 331.3 secs Computing kpt #: 261 total cpu time spent up to now is 332.5 secs Computing kpt #: 262 total cpu time spent up to now is 333.6 secs Computing kpt #: 263 total cpu time spent up to now is 334.8 secs Computing kpt #: 264 total cpu time spent up to now is 335.9 secs Computing kpt #: 265 total cpu time spent up to now is 337.1 secs Computing kpt #: 266 total cpu time spent up to now is 338.2 secs Computing kpt #: 267 total cpu time spent up to now is 339.4 secs Computing kpt #: 268 total cpu time spent up to now is 340.6 secs Computing kpt #: 269 total cpu time spent up to now is 341.7 secs Computing kpt #: 270 total cpu time spent up to now is 342.8 secs Computing kpt #: 271 total cpu time spent up to now is 344.0 secs Computing kpt #: 272 total cpu time spent up to now is 345.1 secs Computing kpt #: 273 total cpu time spent up to now is 346.2 secs Computing kpt #: 274 total cpu time spent up to now is 347.4 secs Computing kpt #: 275 total cpu time spent up to now is 348.5 secs Computing kpt #: 276 total cpu time spent up to now is 349.6 secs Computing kpt #: 277 total cpu time spent up to now is 350.7 secs Computing kpt #: 278 total cpu time spent up to now is 351.9 secs Computing kpt #: 279 total cpu time spent up to now is 353.0 secs Computing kpt #: 280 total cpu time spent up to now is 354.1 secs ethr = 1.79E-08, avg # of iterations = 20.9 total cpu time spent up to now is 354.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11847 PWs) bands (ev): -40.6423 -40.6423 -20.6877 -20.6877 -20.1044 -20.1044 -20.1042 -20.1042 -19.7994 -19.7994 -19.6688 -19.6688 -19.6327 -19.6327 -5.9666 -5.9666 -5.8956 -5.8956 -4.7903 -4.7903 -4.7767 -4.7767 -4.3667 -4.3667 -4.2481 -4.2481 -2.7103 -2.7103 -2.3821 -2.3821 -2.1347 -2.1347 -0.8885 -0.8885 -0.3316 -0.3316 -0.2676 -0.2676 -0.2479 -0.2479 -0.0201 -0.0201 0.0276 0.0276 0.0377 0.0377 0.0695 0.0695 0.0766 0.0766 0.4648 0.4648 0.7208 0.7208 1.1077 1.1077 4.1982 4.1982 4.2024 4.2024 8.5684 8.5684 13.9288 13.9288 15.3608 15.3608 15.3786 15.3786 k = 0.0128-0.0089-0.0061 ( 11867 PWs) bands (ev): -40.6423 -40.6423 -20.6874 -20.6874 -20.1044 -20.1044 -20.1043 -20.1043 -19.7994 -19.7994 -19.6689 -19.6689 -19.6328 -19.6328 -5.9666 -5.9666 -5.8958 -5.8958 -4.7902 -4.7902 -4.7767 -4.7767 -4.3667 -4.3667 -4.2481 -4.2481 -2.7099 -2.7099 -2.3815 -2.3815 -2.1345 -2.1345 -0.8879 -0.8879 -0.3329 -0.3329 -0.2674 -0.2674 -0.2478 -0.2478 -0.0227 -0.0227 0.0231 0.0231 0.0334 0.0334 0.0735 0.0735 0.0811 0.0811 0.4661 0.4661 0.7208 0.7208 1.1080 1.1080 4.1979 4.1979 4.2022 4.2022 8.5707 8.5707 13.9302 13.9302 15.3281 15.3281 15.4032 15.4032 k = 0.0256-0.0179-0.0122 ( 11870 PWs) bands (ev): -40.6423 -40.6423 -20.6867 -20.6867 -20.1046 -20.1046 -20.1043 -20.1043 -19.7995 -19.7995 -19.6690 -19.6690 -19.6332 -19.6332 -5.9666 -5.9666 -5.8964 -5.8964 -4.7899 -4.7899 -4.7765 -4.7765 -4.3667 -4.3667 -4.2481 -4.2481 -2.7084 -2.7084 -2.3799 -2.3799 -2.1338 -2.1338 -0.8861 -0.8861 -0.3364 -0.3364 -0.2675 -0.2675 -0.2470 -0.2470 -0.0306 -0.0306 0.0124 0.0124 0.0256 0.0256 0.0807 0.0807 0.0921 0.0921 0.4701 0.4701 0.7209 0.7209 1.1088 1.1088 4.1971 4.1971 4.2015 4.2015 8.5775 8.5775 13.9344 13.9344 15.2814 15.2814 15.4254 15.4254 k = 0.0385-0.0268-0.0183 ( 11877 PWs) bands (ev): -40.6423 -40.6423 -20.6854 -20.6854 -20.1050 -20.1050 -20.1044 -20.1044 -19.7996 -19.7996 -19.6693 -19.6693 -19.6338 -19.6338 -5.9667 -5.9667 -5.8973 -5.8973 -4.7894 -4.7894 -4.7762 -4.7762 -4.3667 -4.3667 -4.2480 -4.2480 -2.7061 -2.7061 -2.3771 -2.3771 -2.1327 -2.1327 -0.8831 -0.8831 -0.3419 -0.3419 -0.2691 -0.2691 -0.2449 -0.2449 -0.0434 -0.0434 -0.0017 -0.0017 0.0189 0.0189 0.0877 0.0877 0.1053 0.1053 0.4766 0.4766 0.7210 0.7210 1.1102 1.1102 4.1957 4.1957 4.2004 4.2004 8.5888 8.5888 13.9413 13.9413 15.2287 15.2287 15.4372 15.4372 k = 0.0513-0.0358-0.0244 ( 11856 PWs) bands (ev): -40.6423 -40.6423 -20.6837 -20.6837 -20.1055 -20.1055 -20.1045 -20.1045 -19.7997 -19.7997 -19.6697 -19.6697 -19.6346 -19.6346 -5.9668 -5.9668 -5.8986 -5.8986 -4.7887 -4.7887 -4.7758 -4.7758 -4.3667 -4.3667 -4.2477 -4.2477 -2.7029 -2.7029 -2.3732 -2.3732 -2.1311 -2.1311 -0.8790 -0.8790 -0.3489 -0.3489 -0.2730 -0.2730 -0.2412 -0.2412 -0.0598 -0.0598 -0.0178 -0.0178 0.0141 0.0141 0.0940 0.0940 0.1186 0.1186 0.4852 0.4852 0.7211 0.7211 1.1121 1.1121 4.1936 4.1936 4.1991 4.1991 8.6046 8.6046 13.9510 13.9510 15.1710 15.1710 15.4388 15.4388 k = 0.0641-0.0447-0.0305 ( 11856 PWs) bands (ev): -40.6423 -40.6423 -20.6815 -20.6815 -20.1061 -20.1061 -20.1046 -20.1046 -19.7999 -19.7999 -19.6702 -19.6702 -19.6356 -19.6356 -5.9670 -5.9670 -5.9003 -5.9003 -4.7879 -4.7879 -4.7753 -4.7753 -4.3667 -4.3667 -4.2473 -4.2473 -2.6990 -2.6990 -2.3684 -2.3684 -2.1291 -2.1291 -0.8738 -0.8738 -0.3573 -0.3573 -0.2790 -0.2790 -0.2367 -0.2367 -0.0783 -0.0783 -0.0348 -0.0348 0.0104 0.0104 0.0993 0.0993 0.1310 0.1310 0.4956 0.4956 0.7213 0.7213 1.1145 1.1145 4.1908 4.1908 4.1975 4.1975 8.6248 8.6248 13.9631 13.9631 15.1090 15.1090 15.4315 15.4315 k = 0.0769-0.0536-0.0366 ( 11861 PWs) bands (ev): -40.6423 -40.6423 -20.6789 -20.6789 -20.1068 -20.1068 -20.1048 -20.1048 -19.8002 -19.8002 -19.6709 -19.6709 -19.6368 -19.6368 -5.9673 -5.9673 -5.9022 -5.9022 -4.7870 -4.7870 -4.7746 -4.7746 -4.3668 -4.3668 -4.2467 -4.2467 -2.6945 -2.6945 -2.3625 -2.3625 -2.1264 -2.1264 -0.8675 -0.8675 -0.3671 -0.3671 -0.2869 -0.2869 -0.2324 -0.2324 -0.0977 -0.0977 -0.0517 -0.0517 0.0072 0.0072 0.1037 0.1037 0.1423 0.1423 0.5073 0.5073 0.7216 0.7216 1.1175 1.1175 4.1872 4.1872 4.1957 4.1957 8.6494 8.6494 13.9777 13.9777 15.0431 15.0431 15.4167 15.4167 k = 0.0897-0.0626-0.0427 ( 11849 PWs) bands (ev): -40.6423 -40.6423 -20.6758 -20.6758 -20.1077 -20.1077 -20.1050 -20.1050 -19.8006 -19.8006 -19.6718 -19.6718 -19.6381 -19.6381 -5.9676 -5.9676 -5.9045 -5.9045 -4.7860 -4.7860 -4.7737 -4.7737 -4.3668 -4.3668 -4.2457 -4.2457 -2.6894 -2.6894 -2.3557 -2.3557 -2.1233 -2.1233 -0.8602 -0.8602 -0.3782 -0.3782 -0.2963 -0.2963 -0.2293 -0.2293 -0.1171 -0.1171 -0.0677 -0.0677 0.0044 0.0044 0.1072 0.1072 0.1521 0.1521 0.5200 0.5200 0.7220 0.7220 1.1211 1.1211 4.1829 4.1829 4.1938 4.1938 8.6783 8.6783 13.9943 13.9943 14.9737 14.9737 15.3958 15.3958 k = 0.1026-0.0715-0.0489 ( 11843 PWs) bands (ev): -40.6423 -40.6423 -20.6722 -20.6722 -20.1087 -20.1087 -20.1052 -20.1052 -19.8011 -19.8011 -19.6728 -19.6728 -19.6394 -19.6394 -5.9681 -5.9681 -5.9071 -5.9071 -4.7851 -4.7851 -4.7726 -4.7726 -4.3669 -4.3669 -4.2443 -4.2443 -2.6841 -2.6841 -2.3480 -2.3480 -2.1194 -2.1194 -0.8519 -0.8519 -0.3907 -0.3907 -0.3073 -0.3073 -0.2289 -0.2289 -0.1350 -0.1350 -0.0820 -0.0820 0.0016 0.0016 0.1099 0.1099 0.1605 0.1605 0.5332 0.5332 0.7225 0.7225 1.1251 1.1251 4.1780 4.1780 4.1916 4.1916 8.7115 8.7115 14.0127 14.0127 14.9015 14.9015 15.3698 15.3698 k = 0.1154-0.0805-0.0550 ( 11843 PWs) bands (ev): -40.6423 -40.6423 -20.6682 -20.6682 -20.1098 -20.1098 -20.1054 -20.1054 -19.8017 -19.8017 -19.6741 -19.6741 -19.6408 -19.6408 -5.9686 -5.9686 -5.9099 -5.9099 -4.7841 -4.7841 -4.7713 -4.7713 -4.3670 -4.3670 -4.2424 -4.2424 -2.6785 -2.6785 -2.3396 -2.3396 -2.1150 -2.1150 -0.8428 -0.8428 -0.4048 -0.4048 -0.3197 -0.3197 -0.2332 -0.2332 -0.1496 -0.1496 -0.0936 -0.0936 -0.0010 -0.0010 0.1120 0.1120 0.1674 0.1674 0.5465 0.5465 0.7233 0.7233 1.1297 1.1297 4.1725 4.1725 4.1893 4.1893 8.7487 8.7487 14.0324 14.0324 14.8270 14.8270 15.3395 15.3395 k = 0.1282-0.0894-0.0611 ( 11841 PWs) bands (ev): -40.6423 -40.6423 -20.6638 -20.6638 -20.1110 -20.1110 -20.1056 -20.1056 -19.8025 -19.8025 -19.6756 -19.6756 -19.6422 -19.6422 -5.9693 -5.9693 -5.9129 -5.9129 -4.7833 -4.7833 -4.7697 -4.7697 -4.3670 -4.3670 -4.2399 -4.2399 -2.6729 -2.6729 -2.3305 -2.3305 -2.1097 -2.1097 -0.8330 -0.8330 -0.4204 -0.4204 -0.3340 -0.3340 -0.2428 -0.2428 -0.1602 -0.1602 -0.1018 -0.1018 -0.0036 -0.0036 0.1134 0.1134 0.1726 0.1726 0.5593 0.5593 0.7245 0.7245 1.1348 1.1348 4.1663 4.1663 4.1868 4.1868 8.7899 8.7899 14.0527 14.0527 14.7512 14.7512 15.3058 15.3058 k = 0.1410-0.0984-0.0672 ( 11844 PWs) bands (ev): -40.6423 -40.6423 -20.6589 -20.6589 -20.1123 -20.1123 -20.1058 -20.1058 -19.8035 -19.8035 -19.6773 -19.6773 -19.6434 -19.6434 -5.9702 -5.9702 -5.9161 -5.9161 -4.7825 -4.7825 -4.7679 -4.7679 -4.3670 -4.3670 -4.2369 -4.2369 -2.6674 -2.6674 -2.3208 -2.3208 -2.1037 -2.1037 -0.8227 -0.8227 -0.4374 -0.4374 -0.3507 -0.3507 -0.2562 -0.2562 -0.1681 -0.1681 -0.1058 -0.1058 -0.0061 -0.0061 0.1143 0.1143 0.1764 0.1764 0.5713 0.5713 0.7262 0.7262 1.1404 1.1404 4.1596 4.1596 4.1841 4.1841 8.8350 8.8350 14.0722 14.0722 14.6754 14.6754 15.2693 15.2693 k = 0.1538-0.1073-0.0733 ( 11829 PWs) bands (ev): -40.6423 -40.6423 -20.6537 -20.6537 -20.1137 -20.1137 -20.1061 -20.1061 -19.8047 -19.8047 -19.6793 -19.6793 -19.6446 -19.6446 -5.9712 -5.9712 -5.9193 -5.9193 -4.7819 -4.7819 -4.7659 -4.7659 -4.3669 -4.3669 -4.2332 -4.2332 -2.6621 -2.6621 -2.3108 -2.3108 -2.0969 -2.0969 -0.8120 -0.8120 -0.4555 -0.4555 -0.3703 -0.3703 -0.2706 -0.2706 -0.1753 -0.1753 -0.1055 -0.1055 -0.0085 -0.0085 0.1147 0.1147 0.1787 0.1787 0.5821 0.5821 0.7287 0.7287 1.1465 1.1465 4.1523 4.1523 4.1814 4.1814 8.8839 8.8839 14.0889 14.0889 14.6018 14.6018 15.2307 15.2307 k = 0.1667-0.1162-0.0794 ( 11826 PWs) bands (ev): -40.6423 -40.6423 -20.6482 -20.6482 -20.1151 -20.1151 -20.1063 -20.1063 -19.8062 -19.8062 -19.6815 -19.6815 -19.6456 -19.6456 -5.9725 -5.9725 -5.9227 -5.9227 -4.7814 -4.7814 -4.7637 -4.7637 -4.3666 -4.3666 -4.2288 -4.2288 -2.6572 -2.6572 -2.3006 -2.3006 -2.0892 -2.0892 -0.8013 -0.8013 -0.4743 -0.4743 -0.3930 -0.3930 -0.2839 -0.2839 -0.1827 -0.1827 -0.1018 -0.1018 -0.0108 -0.0108 0.1147 0.1147 0.1796 0.1796 0.5910 0.5910 0.7320 0.7320 1.1530 1.1530 4.1446 4.1446 4.1785 4.1785 8.9363 8.9363 14.0991 14.0991 14.5343 14.5343 15.1908 15.1908 k = 0.1795-0.1252-0.0855 ( 11817 PWs) bands (ev): -40.6423 -40.6423 -20.6423 -20.6423 -20.1165 -20.1165 -20.1066 -20.1066 -19.8080 -19.8080 -19.6839 -19.6839 -19.6464 -19.6464 -5.9741 -5.9741 -5.9260 -5.9260 -4.7811 -4.7811 -4.7612 -4.7612 -4.3661 -4.3661 -4.2238 -4.2238 -2.6527 -2.6527 -2.2902 -2.2902 -2.0806 -2.0806 -0.7910 -0.7910 -0.4932 -0.4932 -0.4185 -0.4185 -0.2953 -0.2953 -0.1903 -0.1903 -0.0957 -0.0957 -0.0130 -0.0130 0.1143 0.1143 0.1791 0.1791 0.5979 0.5979 0.7365 0.7365 1.1600 1.1600 4.1364 4.1364 4.1756 4.1756 8.9922 8.9922 14.0969 14.0969 14.4789 14.4789 15.1499 15.1499 k = 0.1923-0.1341-0.0916 ( 11817 PWs) bands (ev): -40.6423 -40.6423 -20.6361 -20.6361 -20.1180 -20.1180 -20.1068 -20.1068 -19.8100 -19.8100 -19.6865 -19.6865 -19.6471 -19.6471 -5.9760 -5.9760 -5.9293 -5.9293 -4.7810 -4.7810 -4.7586 -4.7586 -4.3652 -4.3652 -4.2182 -4.2182 -2.6488 -2.6488 -2.2799 -2.2799 -2.0711 -2.0711 -0.7816 -0.7816 -0.5117 -0.5117 -0.4459 -0.4459 -0.3047 -0.3047 -0.1978 -0.1978 -0.0880 -0.0880 -0.0151 -0.0151 0.1136 0.1136 0.1775 0.1775 0.6025 0.6025 0.7421 0.7421 1.1675 1.1675 4.1279 4.1279 4.1727 4.1727 9.0514 9.0514 14.0746 14.0746 14.4433 14.4433 15.1087 15.1087 k = 0.2051-0.1431-0.0977 ( 11819 PWs) bands (ev): -40.6423 -40.6423 -20.6296 -20.6296 -20.1195 -20.1195 -20.1070 -20.1070 -19.8125 -19.8125 -19.6891 -19.6891 -19.6476 -19.6476 -5.9782 -5.9782 -5.9325 -5.9325 -4.7811 -4.7811 -4.7558 -4.7558 -4.3640 -4.3640 -4.2119 -4.2119 -2.6455 -2.6455 -2.2699 -2.2699 -2.0607 -2.0607 -0.7741 -0.7741 -0.5289 -0.5289 -0.4741 -0.4741 -0.3125 -0.3125 -0.2050 -0.2050 -0.0793 -0.0793 -0.0169 -0.0169 0.1124 0.1124 0.1746 0.1746 0.6048 0.6048 0.7488 0.7488 1.1753 1.1753 4.1189 4.1189 4.1698 4.1698 9.1137 9.1137 14.0288 14.0288 14.4309 14.4309 15.0674 15.0674 k = 0.2179-0.1520-0.1038 ( 11816 PWs) bands (ev): -40.6423 -40.6423 -20.6228 -20.6228 -20.1211 -20.1211 -20.1072 -20.1072 -19.8153 -19.8153 -19.6918 -19.6918 -19.6480 -19.6480 -5.9807 -5.9807 -5.9355 -5.9355 -4.7815 -4.7815 -4.7529 -4.7529 -4.3625 -4.3625 -4.2050 -4.2050 -2.6429 -2.6429 -2.2602 -2.2602 -2.0495 -2.0495 -0.7693 -0.7693 -0.5441 -0.5441 -0.5022 -0.5022 -0.3190 -0.3190 -0.2118 -0.2118 -0.0702 -0.0702 -0.0186 -0.0186 0.1109 0.1109 0.1708 0.1708 0.6048 0.6048 0.7563 0.7563 1.1834 1.1834 4.1097 4.1097 4.1668 4.1668 9.1790 9.1790 13.9632 13.9632 14.4381 14.4381 15.0265 15.0265 k = 0.2308-0.1609-0.1099 ( 11815 PWs) bands (ev): -40.6423 -40.6423 -20.6159 -20.6159 -20.1226 -20.1226 -20.1074 -20.1074 -19.8184 -19.8184 -19.6945 -19.6945 -19.6483 -19.6483 -5.9835 -5.9835 -5.9384 -5.9384 -4.7820 -4.7820 -4.7498 -4.7498 -4.3604 -4.3604 -4.1976 -4.1976 -2.6410 -2.6410 -2.2510 -2.2510 -2.0375 -2.0375 -0.7687 -0.7687 -0.5568 -0.5568 -0.5285 -0.5285 -0.3245 -0.3245 -0.2179 -0.2179 -0.0608 -0.0608 -0.0201 -0.0201 0.1090 0.1090 0.1662 0.1662 0.6027 0.6027 0.7645 0.7645 1.1919 1.1919 4.1002 4.1002 4.1640 4.1640 9.2469 9.2469 13.8846 13.8846 14.4580 14.4580 14.9863 14.9863 k = 0.2436-0.1699-0.1160 ( 11825 PWs) bands (ev): -40.6423 -40.6423 -20.6088 -20.6088 -20.1241 -20.1241 -20.1076 -20.1076 -19.8220 -19.8220 -19.6971 -19.6971 -19.6485 -19.6485 -5.9867 -5.9867 -5.9410 -5.9410 -4.7829 -4.7829 -4.7465 -4.7465 -4.3580 -4.3580 -4.1897 -4.1897 -2.6397 -2.6397 -2.2423 -2.2423 -2.0250 -2.0250 -0.7734 -0.7734 -0.5701 -0.5701 -0.5483 -0.5483 -0.3292 -0.3292 -0.2233 -0.2233 -0.0515 -0.0515 -0.0214 -0.0214 0.1067 0.1067 0.1608 0.1608 0.5989 0.5989 0.7730 0.7730 1.2006 1.2006 4.0906 4.0906 4.1612 4.1612 9.3174 9.3174 13.7982 13.7982 14.4856 14.4856 14.9470 14.9470 k = 0.2564-0.1788-0.1221 ( 11826 PWs) bands (ev): -40.6423 -40.6423 -20.6015 -20.6015 -20.1255 -20.1255 -20.1078 -20.1078 -19.8260 -19.8260 -19.6996 -19.6996 -19.6485 -19.6485 -5.9902 -5.9902 -5.9435 -5.9435 -4.7840 -4.7840 -4.7431 -4.7431 -4.3550 -4.3550 -4.1814 -4.1814 -2.6391 -2.6391 -2.2343 -2.2343 -2.0119 -2.0119 -0.7837 -0.7837 -0.5899 -0.5899 -0.5549 -0.5549 -0.3333 -0.3333 -0.2279 -0.2279 -0.0426 -0.0426 -0.0222 -0.0222 0.1040 0.1040 0.1549 0.1549 0.5935 0.5935 0.7816 0.7816 1.2094 1.2094 4.0808 4.0808 4.1584 4.1584 9.3902 9.3902 13.7069 13.7069 14.5175 14.5175 14.9091 14.9091 k = 0.2692-0.1878-0.1282 ( 11821 PWs) bands (ev): -40.6423 -40.6423 -20.5941 -20.5941 -20.1270 -20.1270 -20.1079 -20.1079 -19.8304 -19.8304 -19.7020 -19.7020 -19.6485 -19.6485 -5.9938 -5.9938 -5.9457 -5.9457 -4.7853 -4.7853 -4.7396 -4.7396 -4.3517 -4.3517 -4.1728 -4.1728 -2.6391 -2.6391 -2.2270 -2.2270 -1.9986 -1.9986 -0.7993 -0.7993 -0.6118 -0.6118 -0.5526 -0.5526 -0.3369 -0.3369 -0.2317 -0.2317 -0.0349 -0.0349 -0.0219 -0.0219 0.1008 0.1008 0.1488 0.1488 0.5868 0.5868 0.7901 0.7901 1.2184 1.2184 4.0710 4.0710 4.1558 4.1558 9.4651 9.4651 13.6128 13.6128 14.5519 14.5519 14.8728 14.8728 k = 0.2821-0.1967-0.1343 ( 11817 PWs) bands (ev): -40.6423 -40.6423 -20.5867 -20.5867 -20.1283 -20.1283 -20.1080 -20.1080 -19.8351 -19.8351 -19.7042 -19.7042 -19.6484 -19.6484 -5.9977 -5.9977 -5.9477 -5.9477 -4.7869 -4.7869 -4.7359 -4.7359 -4.3479 -4.3479 -4.1638 -4.1638 -2.6398 -2.6398 -2.2203 -2.2203 -1.9851 -1.9851 -0.8191 -0.8191 -0.6327 -0.6327 -0.5455 -0.5455 -0.3400 -0.3400 -0.2346 -0.2346 -0.0303 -0.0303 -0.0189 -0.0189 0.0970 0.0970 0.1425 0.1425 0.5790 0.5790 0.7983 0.7983 1.2274 1.2274 4.0611 4.0611 4.1533 4.1533 9.5418 9.5418 13.5168 13.5168 14.5871 14.5871 14.8388 14.8388 k = 0.2949-0.2056-0.1404 ( 11811 PWs) bands (ev): -40.6423 -40.6423 -20.5793 -20.5793 -20.1296 -20.1296 -20.1081 -20.1081 -19.8401 -19.8401 -19.7063 -19.7063 -19.6482 -19.6482 -6.0017 -6.0017 -5.9496 -5.9496 -4.7887 -4.7887 -4.7322 -4.7322 -4.3437 -4.3437 -4.1547 -4.1547 -2.6409 -2.6409 -2.2144 -2.2144 -1.9716 -1.9716 -0.8419 -0.8419 -0.6519 -0.6519 -0.5354 -0.5354 -0.3427 -0.3427 -0.2365 -0.2365 -0.0292 -0.0292 -0.0129 -0.0129 0.0927 0.0927 0.1365 0.1365 0.5703 0.5703 0.8062 0.8062 1.2364 1.2364 4.0514 4.0514 4.1510 4.1510 9.6201 9.6201 13.4198 13.4198 14.6213 14.6213 14.8081 14.8081 k = 0.3077-0.2146-0.1466 ( 11815 PWs) bands (ev): -40.6423 -40.6423 -20.5719 -20.5719 -20.1308 -20.1308 -20.1082 -20.1082 -19.8455 -19.8455 -19.7082 -19.7082 -19.6480 -19.6480 -6.0058 -6.0058 -5.9513 -5.9513 -4.7907 -4.7907 -4.7284 -4.7284 -4.3392 -4.3392 -4.1454 -4.1454 -2.6426 -2.6426 -2.2092 -2.2092 -1.9583 -1.9583 -0.8665 -0.8665 -0.6692 -0.6692 -0.5234 -0.5234 -0.3450 -0.3450 -0.2373 -0.2373 -0.0293 -0.0293 -0.0064 -0.0064 0.0879 0.0879 0.1308 0.1308 0.5608 0.5608 0.8136 0.8136 1.2452 1.2452 4.0418 4.0418 4.1488 4.1488 9.6997 9.6997 13.3224 13.3224 14.6514 14.6514 14.7836 14.7836 k = 0.3205-0.2235-0.1527 ( 11815 PWs) bands (ev): -40.6423 -40.6423 -20.5646 -20.5646 -20.1320 -20.1320 -20.1082 -20.1082 -19.8510 -19.8510 -19.7099 -19.7099 -19.6478 -19.6478 -6.0099 -6.0099 -5.9529 -5.9529 -4.7927 -4.7927 -4.7246 -4.7246 -4.3345 -4.3345 -4.1362 -4.1362 -2.6446 -2.6446 -2.2047 -2.2047 -1.9454 -1.9454 -0.8919 -0.8919 -0.6846 -0.6846 -0.5103 -0.5103 -0.3470 -0.3470 -0.2371 -0.2371 -0.0297 -0.0297 -0.0006 -0.0006 0.0826 0.0826 0.1258 0.1258 0.5507 0.5507 0.8205 0.8205 1.2538 1.2538 4.0324 4.0324 4.1467 4.1467 9.7801 9.7801 13.2251 13.2251 14.6696 14.6696 14.7726 14.7726 k = 0.3333-0.2325-0.1588 ( 11817 PWs) bands (ev): -40.6423 -40.6423 -20.5575 -20.5575 -20.1330 -20.1330 -20.1081 -20.1081 -19.8567 -19.8567 -19.7114 -19.7114 -19.6475 -19.6475 -6.0139 -6.0139 -5.9544 -5.9544 -4.7949 -4.7949 -4.7207 -4.7207 -4.3296 -4.3296 -4.1269 -4.1269 -2.6470 -2.6470 -2.2008 -2.2008 -1.9329 -1.9329 -0.9175 -0.9175 -0.6983 -0.6983 -0.4968 -0.4968 -0.3486 -0.3486 -0.2358 -0.2358 -0.0301 -0.0301 0.0042 0.0042 0.0770 0.0770 0.1214 0.1214 0.5402 0.5402 0.8268 0.8268 1.2622 1.2622 4.0233 4.0233 4.1449 4.1449 9.8611 9.8611 13.1284 13.1284 14.6673 14.6673 14.7835 14.7835 k = 0.3462-0.2414-0.1649 ( 11817 PWs) bands (ev): -40.6423 -40.6423 -20.5505 -20.5505 -20.1340 -20.1340 -20.1081 -20.1081 -19.8624 -19.8624 -19.7128 -19.7128 -19.6472 -19.6472 -6.0178 -6.0178 -5.9558 -5.9558 -4.7971 -4.7971 -4.7170 -4.7170 -4.3245 -4.3245 -4.1179 -4.1179 -2.6497 -2.6497 -2.1976 -2.1976 -1.9211 -1.9211 -0.9427 -0.9427 -0.7103 -0.7103 -0.4834 -0.4834 -0.3498 -0.3498 -0.2333 -0.2333 -0.0305 -0.0305 0.0073 0.0073 0.0716 0.0716 0.1179 0.1179 0.5294 0.5294 0.8326 0.8326 1.2703 1.2703 4.0145 4.0145 4.1431 4.1431 9.9423 9.9423 13.0327 13.0327 14.6510 14.6510 14.8097 14.8097 k = 0.3590-0.2504-0.1710 ( 11809 PWs) bands (ev): -40.6423 -40.6423 -20.5439 -20.5439 -20.1349 -20.1349 -20.1080 -20.1080 -19.8681 -19.8681 -19.7140 -19.7140 -19.6469 -19.6469 -6.0215 -6.0215 -5.9570 -5.9570 -4.7993 -4.7993 -4.7133 -4.7133 -4.3195 -4.3195 -4.1090 -4.1090 -2.6525 -2.6525 -2.1951 -2.1951 -1.9100 -1.9100 -0.9670 -0.9670 -0.7208 -0.7208 -0.4706 -0.4706 -0.3507 -0.3507 -0.2298 -0.2298 -0.0308 -0.0308 0.0085 0.0085 0.0668 0.0668 0.1151 0.1151 0.5186 0.5186 0.8379 0.8379 1.2779 1.2779 4.0062 4.0062 4.1416 4.1416 10.0231 10.0231 12.9387 12.9387 14.6303 14.6303 14.8412 14.8412 k = 0.3718-0.2593-0.1771 ( 11813 PWs) bands (ev): -40.6423 -40.6423 -20.5375 -20.5375 -20.1356 -20.1356 -20.1079 -20.1079 -19.8738 -19.8738 -19.7151 -19.7151 -19.6466 -19.6466 -6.0251 -6.0251 -5.9582 -5.9582 -4.8015 -4.8015 -4.7098 -4.7098 -4.3146 -4.3146 -4.1006 -4.1006 -2.6554 -2.6554 -2.1930 -2.1930 -1.8997 -1.8997 -0.9901 -0.9901 -0.7297 -0.7297 -0.4585 -0.4585 -0.3512 -0.3512 -0.2251 -0.2251 -0.0311 -0.0311 0.0077 0.0077 0.0627 0.0627 0.1131 0.1131 0.5078 0.5078 0.8426 0.8426 1.2851 1.2851 3.9983 3.9983 4.1402 4.1402 10.1030 10.1030 12.8468 12.8468 14.6092 14.6092 14.8740 14.8740 k = 0.3846-0.2682-0.1832 ( 11814 PWs) bands (ev): -40.6423 -40.6423 -20.5315 -20.5315 -20.1363 -20.1363 -20.1077 -20.1077 -19.8793 -19.8793 -19.7161 -19.7161 -19.6462 -19.6462 -6.0284 -6.0284 -5.9592 -5.9592 -4.8036 -4.8036 -4.7064 -4.7064 -4.3098 -4.3098 -4.0925 -4.0925 -2.6583 -2.6583 -2.1915 -2.1915 -1.8903 -1.8903 -1.0116 -1.0116 -0.7374 -0.7374 -0.4476 -0.4476 -0.3515 -0.3515 -0.2195 -0.2195 -0.0313 -0.0313 0.0049 0.0049 0.0594 0.0594 0.1119 0.1119 0.4972 0.4972 0.8468 0.8468 1.2917 1.2917 3.9910 3.9910 4.1389 4.1389 10.1813 10.1813 12.7577 12.7577 14.5890 14.5890 14.9066 14.9066 k = 0.3974-0.2772-0.1893 ( 11812 PWs) bands (ev): -40.6423 -40.6423 -20.5260 -20.5260 -20.1368 -20.1368 -20.1075 -20.1075 -19.8845 -19.8845 -19.7169 -19.7169 -19.6459 -19.6459 -6.0315 -6.0315 -5.9602 -5.9602 -4.8056 -4.8056 -4.7033 -4.7033 -4.3052 -4.3052 -4.0850 -4.0850 -2.6612 -2.6612 -2.1904 -2.1904 -1.8818 -1.8818 -1.0314 -1.0314 -0.7438 -0.7438 -0.4378 -0.4378 -0.3514 -0.3514 -0.2130 -0.2130 -0.0314 -0.0314 0.0006 0.0006 0.0568 0.0568 0.1114 0.1114 0.4871 0.4871 0.8505 0.8505 1.2978 1.2978 3.9843 3.9843 4.1378 4.1378 10.2572 10.2572 12.6722 12.6722 14.5704 14.5704 14.9383 14.9383 k = 0.4103-0.2861-0.1954 ( 11808 PWs) bands (ev): -40.6423 -40.6423 -20.5210 -20.5210 -20.1373 -20.1373 -20.1073 -20.1073 -19.8894 -19.8894 -19.7176 -19.7176 -19.6456 -19.6456 -6.0343 -6.0343 -5.9611 -5.9611 -4.8075 -4.8075 -4.7004 -4.7004 -4.3010 -4.3010 -4.0782 -4.0782 -2.6639 -2.6639 -2.1897 -2.1897 -1.8742 -1.8742 -1.0493 -1.0493 -0.7490 -0.7490 -0.4293 -0.4293 -0.3512 -0.3512 -0.2059 -0.2059 -0.0315 -0.0315 -0.0047 -0.0047 0.0545 0.0545 0.1114 0.1114 0.4776 0.4776 0.8537 0.8537 1.3033 1.3033 3.9782 3.9782 4.1369 4.1369 10.3297 10.3297 12.5913 12.5913 14.5536 14.5536 14.9687 14.9687 k = 0.4231-0.2951-0.2015 ( 11804 PWs) bands (ev): -40.6423 -40.6423 -20.5165 -20.5165 -20.1377 -20.1377 -20.1071 -20.1071 -19.8938 -19.8938 -19.7182 -19.7182 -19.6454 -19.6454 -6.0368 -6.0368 -5.9618 -5.9618 -4.8091 -4.8091 -4.6979 -4.6979 -4.2971 -4.2971 -4.0720 -4.0720 -2.6664 -2.6664 -2.1892 -2.1892 -1.8676 -1.8676 -1.0651 -1.0651 -0.7533 -0.7533 -0.4222 -0.4222 -0.3507 -0.3507 -0.1984 -0.1984 -0.0316 -0.0316 -0.0103 -0.0103 0.0523 0.0523 0.1119 0.1119 0.4689 0.4689 0.8565 0.8565 1.3082 1.3082 3.9729 3.9729 4.1361 4.1361 10.3976 10.3976 12.5162 12.5162 14.5389 14.5389 14.9977 14.9977 k = 0.4359-0.3040-0.2076 ( 11808 PWs) bands (ev): -40.6423 -40.6423 -20.5126 -20.5126 -20.1380 -20.1380 -20.1069 -20.1069 -19.8977 -19.8977 -19.7187 -19.7187 -19.6452 -19.6452 -6.0389 -6.0389 -5.9625 -5.9625 -4.8106 -4.8106 -4.6956 -4.6956 -4.2938 -4.2938 -4.0667 -4.0667 -2.6687 -2.6687 -2.1890 -2.1890 -1.8621 -1.8621 -1.0787 -1.0787 -0.7567 -0.7567 -0.4164 -0.4164 -0.3501 -0.3501 -0.1910 -0.1910 -0.0317 -0.0317 -0.0159 -0.0159 0.0502 0.0502 0.1125 0.1125 0.4612 0.4612 0.8587 0.8587 1.3123 1.3123 3.9683 3.9683 4.1354 4.1354 10.4596 10.4596 12.4482 12.4482 14.5263 14.5263 15.0251 15.0251 k = 0.4487-0.3129-0.2137 ( 11800 PWs) bands (ev): -40.6423 -40.6423 -20.5093 -20.5093 -20.1382 -20.1382 -20.1067 -20.1067 -19.9010 -19.9010 -19.7191 -19.7191 -19.6450 -19.6450 -6.0406 -6.0406 -5.9630 -5.9630 -4.8118 -4.8118 -4.6937 -4.6937 -4.2909 -4.2909 -4.0622 -4.0622 -2.6706 -2.6706 -2.1889 -2.1889 -1.8575 -1.8575 -1.0899 -1.0899 -0.7593 -0.7593 -0.4118 -0.4118 -0.3495 -0.3495 -0.1841 -0.1841 -0.0319 -0.0319 -0.0209 -0.0209 0.0482 0.0482 0.1133 0.1133 0.4546 0.4546 0.8606 0.8606 1.3157 1.3157 3.9644 3.9644 4.1349 4.1349 10.5140 10.5140 12.3889 12.3889 14.5159 14.5159 15.0509 15.0509 k = 0.4615-0.3219-0.2198 ( 11814 PWs) bands (ev): -40.6423 -40.6423 -20.5068 -20.5068 -20.1384 -20.1384 -20.1066 -20.1066 -19.9037 -19.9037 -19.7194 -19.7194 -19.6448 -19.6448 -6.0420 -6.0420 -5.9634 -5.9634 -4.8128 -4.8128 -4.6922 -4.6922 -4.2887 -4.2887 -4.0587 -4.0587 -2.6721 -2.6721 -2.1889 -2.1889 -1.8540 -1.8540 -1.0987 -1.0987 -0.7612 -0.7612 -0.4084 -0.4084 -0.3489 -0.3489 -0.1780 -0.1780 -0.0323 -0.0323 -0.0250 -0.0250 0.0464 0.0464 0.1140 0.1140 0.4493 0.4493 0.8620 0.8620 1.3184 1.3184 3.9614 3.9614 4.1345 4.1345 10.5590 10.5590 12.3400 12.3400 14.5078 14.5078 15.0752 15.0752 k = 0.4744-0.3308-0.2259 ( 11805 PWs) bands (ev): -40.6423 -40.6423 -20.5049 -20.5049 -20.1385 -20.1385 -20.1064 -20.1064 -19.9056 -19.9056 -19.7196 -19.7196 -19.6447 -19.6447 -6.0430 -6.0430 -5.9637 -5.9637 -4.8135 -4.8135 -4.6912 -4.6912 -4.2870 -4.2870 -4.0561 -4.0561 -2.6732 -2.6732 -2.1889 -2.1889 -1.8515 -1.8515 -1.1050 -1.1050 -0.7625 -0.7625 -0.4060 -0.4060 -0.3484 -0.3484 -0.1732 -0.1732 -0.0331 -0.0331 -0.0276 -0.0276 0.0450 0.0450 0.1146 0.1146 0.4454 0.4454 0.8630 0.8630 1.3204 1.3204 3.9593 3.9593 4.1342 4.1342 10.5928 10.5928 12.3035 12.3035 14.5019 14.5019 15.0980 15.0980 k = 0.4872-0.3398-0.2320 ( 11792 PWs) bands (ev): -40.6423 -40.6423 -20.5038 -20.5038 -20.1386 -20.1386 -20.1064 -20.1064 -19.9068 -19.9068 -19.7198 -19.7198 -19.6446 -19.6446 -6.0436 -6.0436 -5.9639 -5.9639 -4.8139 -4.8139 -4.6905 -4.6905 -4.2860 -4.2860 -4.0545 -4.0545 -2.6739 -2.6739 -2.1890 -2.1890 -1.8499 -1.8499 -1.1089 -1.1089 -0.7633 -0.7633 -0.4045 -0.4045 -0.3481 -0.3481 -0.1702 -0.1702 -0.0342 -0.0342 -0.0287 -0.0287 0.0441 0.0441 0.1150 0.1150 0.4431 0.4431 0.8636 0.8636 1.3215 1.3215 3.9580 3.9580 4.1340 4.1340 10.6139 10.6139 12.2807 12.2807 14.4984 14.4984 15.1193 15.1193 k = 0.5000-0.3487-0.2381 ( 11796 PWs) bands (ev): -40.6423 -40.6423 -20.5034 -20.5034 -20.1386 -20.1386 -20.1063 -20.1063 -19.9072 -19.9072 -19.7198 -19.7198 -19.6446 -19.6446 -6.0438 -6.0438 -5.9640 -5.9640 -4.8141 -4.8141 -4.6903 -4.6903 -4.2857 -4.2857 -4.0540 -4.0540 -2.6742 -2.6742 -2.1890 -2.1890 -1.8494 -1.8494 -1.1101 -1.1101 -0.7635 -0.7635 -0.4041 -0.4041 -0.3480 -0.3480 -0.1691 -0.1691 -0.0346 -0.0346 -0.0290 -0.0290 0.0438 0.0438 0.1151 0.1151 0.4423 0.4423 0.8638 0.8638 1.3219 1.3219 3.9575 3.9575 4.1340 4.1340 10.6211 10.6211 12.2730 12.2730 14.4973 14.4973 15.1344 15.1344 k = 0.5000-0.3487-0.2381 ( 11796 PWs) bands (ev): -40.6423 -40.6423 -20.5034 -20.5034 -20.1386 -20.1386 -20.1063 -20.1063 -19.9072 -19.9072 -19.7198 -19.7198 -19.6446 -19.6446 -6.0438 -6.0438 -5.9640 -5.9640 -4.8141 -4.8141 -4.6903 -4.6903 -4.2857 -4.2857 -4.0540 -4.0540 -2.6742 -2.6742 -2.1890 -2.1890 -1.8494 -1.8494 -1.1101 -1.1101 -0.7635 -0.7635 -0.4041 -0.4041 -0.3480 -0.3480 -0.1691 -0.1691 -0.0346 -0.0346 -0.0290 -0.0290 0.0438 0.0438 0.1151 0.1151 0.4423 0.4423 0.8638 0.8638 1.3219 1.3219 3.9575 3.9575 4.1340 4.1340 10.6211 10.6211 12.2730 12.2730 14.4973 14.4973 15.1344 15.1344 k = 0.5000-0.3392-0.2520 ( 11796 PWs) bands (ev): -40.6423 -40.6423 -20.5032 -20.5032 -20.1387 -20.1387 -20.1064 -20.1064 -19.9071 -19.9071 -19.7199 -19.7199 -19.6448 -19.6448 -6.0438 -6.0438 -5.9640 -5.9640 -4.8137 -4.8137 -4.6903 -4.6903 -4.2856 -4.2856 -4.0543 -4.0543 -2.6733 -2.6733 -2.1888 -2.1888 -1.8496 -1.8496 -1.1097 -1.1097 -0.7641 -0.7641 -0.4042 -0.4042 -0.3494 -0.3494 -0.1693 -0.1693 -0.0445 -0.0445 -0.0237 -0.0237 0.0462 0.0462 0.1158 0.1158 0.4444 0.4444 0.8640 0.8640 1.3218 1.3218 3.9577 3.9577 4.1340 4.1340 10.6224 10.6224 12.2740 12.2740 14.4931 14.4931 15.1272 15.1272 k = 0.5000-0.3298-0.2659 ( 11800 PWs) bands (ev): -40.6423 -40.6423 -20.5027 -20.5027 -20.1388 -20.1388 -20.1064 -20.1064 -19.9068 -19.9068 -19.7201 -19.7201 -19.6452 -19.6452 -6.0439 -6.0439 -5.9642 -5.9642 -4.8126 -4.8126 -4.6904 -4.6904 -4.2854 -4.2854 -4.0552 -4.0552 -2.6708 -2.6708 -2.1884 -2.1884 -1.8503 -1.8503 -1.1085 -1.1085 -0.7656 -0.7656 -0.4047 -0.4047 -0.3535 -0.3535 -0.1699 -0.1699 -0.0614 -0.0614 -0.0190 -0.0190 0.0521 0.0521 0.1176 0.1176 0.4506 0.4506 0.8646 0.8646 1.3216 1.3216 3.9583 3.9583 4.1339 4.1339 10.6262 10.6262 12.2769 12.2769 14.4806 14.4806 15.1100 15.1100 k = 0.5000-0.3203-0.2798 ( 11798 PWs) bands (ev): -40.6423 -40.6423 -20.5019 -20.5019 -20.1390 -20.1390 -20.1066 -20.1066 -19.9062 -19.9062 -19.7206 -19.7206 -19.6460 -19.6460 -6.0440 -6.0440 -5.9644 -5.9644 -4.8109 -4.8109 -4.6904 -4.6904 -4.2850 -4.2850 -4.0566 -4.0566 -2.6665 -2.6665 -2.1877 -2.1877 -1.8513 -1.8513 -1.1065 -1.1065 -0.7681 -0.7681 -0.4056 -0.4056 -0.3602 -0.3602 -0.1709 -0.1709 -0.0817 -0.0817 -0.0152 -0.0152 0.0591 0.0591 0.1203 0.1203 0.4607 0.4607 0.8657 0.8657 1.3212 1.3212 3.9592 3.9592 4.1337 4.1337 10.6325 10.6325 12.2817 12.2817 14.4601 14.4601 15.0850 15.0850 k = 0.5000-0.3108-0.2937 ( 11790 PWs) bands (ev): -40.6423 -40.6423 -20.5008 -20.5008 -20.1394 -20.1394 -20.1067 -20.1067 -19.9053 -19.9053 -19.7212 -19.7212 -19.6470 -19.6470 -6.0441 -6.0441 -5.9648 -5.9648 -4.8084 -4.8084 -4.6905 -4.6905 -4.2845 -4.2845 -4.0585 -4.0585 -2.6607 -2.6607 -2.1867 -2.1867 -1.8527 -1.8527 -1.1038 -1.1038 -0.7715 -0.7715 -0.4073 -0.4073 -0.3692 -0.3692 -0.1727 -0.1727 -0.1038 -0.1038 -0.0115 -0.0115 0.0656 0.0656 0.1237 0.1237 0.4741 0.4741 0.8671 0.8671 1.3206 1.3206 3.9605 3.9605 4.1335 4.1335 10.6414 10.6414 12.2885 12.2885 14.4319 14.4319 15.0530 15.0530 k = 0.5000-0.3013-0.3075 ( 11786 PWs) bands (ev): -40.6423 -40.6423 -20.4993 -20.4993 -20.1398 -20.1398 -20.1069 -20.1069 -19.9043 -19.9043 -19.7219 -19.7219 -19.6483 -19.6483 -6.0442 -6.0442 -5.9653 -5.9653 -4.8053 -4.8053 -4.6907 -4.6907 -4.2838 -4.2838 -4.0610 -4.0610 -2.6534 -2.6534 -2.1854 -2.1854 -1.8546 -1.8546 -1.1003 -1.1003 -0.7758 -0.7758 -0.4106 -0.4106 -0.3796 -0.3796 -0.1760 -0.1760 -0.1259 -0.1259 -0.0076 -0.0076 0.0714 0.0714 0.1274 0.1274 0.4902 0.4902 0.8689 0.8689 1.3200 1.3200 3.9621 3.9621 4.1332 4.1332 10.6528 10.6528 12.2972 12.2972 14.3966 14.3966 15.0147 15.0147 k = 0.5000-0.2918-0.3214 ( 11798 PWs) bands (ev): -40.6423 -40.6423 -20.4976 -20.4976 -20.1403 -20.1403 -20.1071 -20.1071 -19.9031 -19.9031 -19.7229 -19.7229 -19.6499 -19.6499 -6.0445 -6.0445 -5.9658 -5.9658 -4.8016 -4.8016 -4.6908 -4.6908 -4.2829 -4.2829 -4.0638 -4.0638 -2.6447 -2.6447 -2.1838 -2.1838 -1.8568 -1.8568 -1.0963 -1.0963 -0.7809 -0.7809 -0.4177 -0.4177 -0.3891 -0.3891 -0.1831 -0.1831 -0.1448 -0.1448 -0.0033 -0.0033 0.0764 0.0764 0.1310 0.1310 0.5084 0.5084 0.8710 0.8710 1.3192 1.3192 3.9640 3.9640 4.1329 4.1329 10.6667 10.6667 12.3078 12.3078 14.3546 14.3546 14.9714 14.9714 k = 0.5000-0.2824-0.3353 ( 11798 PWs) bands (ev): -40.6423 -40.6423 -20.4956 -20.4956 -20.1410 -20.1410 -20.1073 -20.1073 -19.9016 -19.9016 -19.7240 -19.7240 -19.6517 -19.6517 -6.0447 -6.0447 -5.9663 -5.9663 -4.7974 -4.7974 -4.6910 -4.6910 -4.2817 -4.2817 -4.0670 -4.0670 -2.6348 -2.6348 -2.1819 -2.1819 -1.8594 -1.8594 -1.0917 -1.0917 -0.7866 -0.7866 -0.4309 -0.4309 -0.3953 -0.3953 -0.1970 -0.1970 -0.1570 -0.1570 0.0011 0.0011 0.0808 0.0808 0.1342 0.1342 0.5282 0.5282 0.8734 0.8734 1.3184 1.3184 3.9662 3.9662 4.1324 4.1324 10.6830 10.6830 12.3203 12.3203 14.3068 14.3068 14.9240 14.9240 k = 0.5000-0.2729-0.3492 ( 11796 PWs) bands (ev): -40.6423 -40.6423 -20.4933 -20.4933 -20.1417 -20.1417 -20.1076 -20.1076 -19.9000 -19.9000 -19.7253 -19.7253 -19.6537 -19.6537 -6.0451 -6.0451 -5.9670 -5.9670 -4.7927 -4.7927 -4.6912 -4.6912 -4.2803 -4.2803 -4.0705 -4.0705 -2.6237 -2.6237 -2.1796 -2.1796 -1.8624 -1.8624 -1.0866 -1.0866 -0.7929 -0.7929 -0.4495 -0.4495 -0.3986 -0.3986 -0.2166 -0.2166 -0.1631 -0.1631 0.0058 0.0058 0.0849 0.0849 0.1372 0.1372 0.5488 0.5488 0.8760 0.8760 1.3176 1.3176 3.9686 3.9686 4.1319 4.1319 10.7017 10.7017 12.3348 12.3348 14.2537 14.2537 14.8735 14.8735 k = 0.5000-0.2634-0.3630 ( 11806 PWs) bands (ev): -40.6423 -40.6423 -20.4907 -20.4907 -20.1425 -20.1425 -20.1077 -20.1077 -19.8983 -19.8983 -19.7268 -19.7268 -19.6560 -19.6560 -6.0456 -6.0456 -5.9676 -5.9676 -4.7875 -4.7875 -4.6915 -4.6915 -4.2785 -4.2785 -4.0743 -4.0743 -2.6117 -2.6117 -2.1771 -2.1771 -1.8658 -1.8658 -1.0813 -1.0813 -0.7997 -0.7997 -0.4716 -0.4716 -0.4007 -0.4007 -0.2379 -0.2379 -0.1667 -0.1667 0.0105 0.0105 0.0888 0.0888 0.1398 0.1398 0.5699 0.5699 0.8788 0.8788 1.3168 1.3168 3.9713 3.9713 4.1313 4.1313 10.7229 10.7229 12.3511 12.3511 14.1960 14.1960 14.8206 14.8206 k = 0.5000-0.2539-0.3769 ( 11810 PWs) bands (ev): -40.6423 -40.6423 -20.4880 -20.4880 -20.1433 -20.1433 -20.1079 -20.1079 -19.8965 -19.8965 -19.7284 -19.7284 -19.6583 -19.6583 -6.0461 -6.0461 -5.9682 -5.9682 -4.7821 -4.7821 -4.6917 -4.6917 -4.2765 -4.2765 -4.0782 -4.0782 -2.5989 -2.5989 -2.1742 -2.1742 -1.8694 -1.8694 -1.0758 -1.0758 -0.8067 -0.8067 -0.4960 -0.4960 -0.4024 -0.4024 -0.2593 -0.2593 -0.1696 -0.1696 0.0152 0.0152 0.0924 0.0924 0.1421 0.1421 0.5910 0.5910 0.8817 0.8817 1.3161 1.3161 3.9741 3.9741 4.1306 4.1306 10.7463 10.7463 12.3694 12.3694 14.1345 14.1345 14.7658 14.7658 k = 0.5000-0.2445-0.3908 ( 11808 PWs) bands (ev): -40.6423 -40.6423 -20.4851 -20.4851 -20.1442 -20.1442 -20.1080 -20.1080 -19.8945 -19.8945 -19.7302 -19.7302 -19.6608 -19.6608 -6.0467 -6.0467 -5.9688 -5.9688 -4.7763 -4.7763 -4.6920 -4.6920 -4.2741 -4.2741 -4.0821 -4.0821 -2.5855 -2.5855 -2.1710 -2.1710 -1.8734 -1.8734 -1.0702 -1.0702 -0.8141 -0.8141 -0.5217 -0.5217 -0.4041 -0.4041 -0.2799 -0.2799 -0.1722 -0.1722 0.0199 0.0199 0.0958 0.0958 0.1442 0.1442 0.6117 0.6117 0.8847 0.8847 1.3154 1.3154 3.9771 3.9771 4.1298 4.1298 10.7720 10.7720 12.3895 12.3895 14.0698 14.0698 14.7096 14.7096 k = 0.5000-0.2350-0.4047 ( 11798 PWs) bands (ev): -40.6423 -40.6423 -20.4820 -20.4820 -20.1452 -20.1452 -20.1081 -20.1081 -19.8925 -19.8925 -19.7322 -19.7322 -19.6634 -19.6634 -6.0475 -6.0475 -5.9694 -5.9694 -4.7705 -4.7705 -4.6923 -4.6923 -4.2713 -4.2713 -4.0860 -4.0860 -2.5718 -2.5718 -2.1673 -2.1673 -1.8777 -1.8777 -1.0648 -1.0648 -0.8216 -0.8216 -0.5479 -0.5479 -0.4062 -0.4062 -0.2993 -0.2993 -0.1750 -0.1750 0.0245 0.0245 0.0989 0.0989 0.1463 0.1463 0.6318 0.6318 0.8879 0.8879 1.3150 1.3150 3.9802 3.9802 4.1289 4.1289 10.7999 10.7999 12.4115 12.4115 14.0024 14.0024 14.6523 14.6523 k = 0.5000-0.2255-0.4185 ( 11802 PWs) bands (ev): -40.6423 -40.6423 -20.4787 -20.4787 -20.1462 -20.1462 -20.1081 -20.1081 -19.8904 -19.8904 -19.7343 -19.7343 -19.6661 -19.6661 -6.0483 -6.0483 -5.9700 -5.9700 -4.7646 -4.7646 -4.6926 -4.6926 -4.2681 -4.2681 -4.0898 -4.0898 -2.5580 -2.5580 -2.1633 -2.1633 -1.8823 -1.8823 -1.0597 -1.0597 -0.8294 -0.8294 -0.5739 -0.5739 -0.4090 -0.4090 -0.3172 -0.3172 -0.1780 -0.1780 0.0289 0.0289 0.1015 0.1015 0.1485 0.1485 0.6509 0.6509 0.8911 0.8911 1.3147 1.3147 3.9834 3.9834 4.1279 4.1279 10.8299 10.8299 12.4354 12.4354 13.9329 13.9329 14.5942 14.5942 k = 0.5000-0.2160-0.4324 ( 11814 PWs) bands (ev): -40.6423 -40.6423 -20.4754 -20.4754 -20.1472 -20.1472 -20.1080 -20.1080 -19.8884 -19.8884 -19.7365 -19.7365 -19.6689 -19.6689 -6.0492 -6.0492 -5.9705 -5.9705 -4.7588 -4.7588 -4.6928 -4.6928 -4.2646 -4.2646 -4.0934 -4.0934 -2.5442 -2.5442 -2.1589 -2.1589 -1.8871 -1.8871 -1.0551 -1.0551 -0.8374 -0.8374 -0.5989 -0.5989 -0.4131 -0.4131 -0.3333 -0.3333 -0.1814 -0.1814 0.0331 0.0331 0.1036 0.1036 0.1509 0.1509 0.6689 0.6689 0.8944 0.8944 1.3148 1.3148 3.9866 3.9866 4.1268 4.1268 10.8618 10.8618 12.4610 12.4610 13.8620 13.8620 14.5354 14.5354 k = 0.5000-0.2066-0.4463 ( 11810 PWs) bands (ev): -40.6423 -40.6423 -20.4720 -20.4720 -20.1483 -20.1483 -20.1080 -20.1080 -19.8863 -19.8863 -19.7388 -19.7388 -19.6717 -19.6717 -6.0502 -6.0502 -5.9710 -5.9710 -4.7532 -4.7532 -4.6930 -4.6930 -4.2607 -4.2607 -4.0966 -4.0966 -2.5307 -2.5307 -2.1540 -2.1540 -1.8921 -1.8921 -1.0511 -1.0511 -0.8459 -0.8459 -0.6220 -0.6220 -0.4189 -0.4189 -0.3468 -0.3468 -0.1852 -0.1852 0.0373 0.0373 0.1051 0.1051 0.1534 0.1534 0.6855 0.6855 0.8979 0.8979 1.3151 1.3151 3.9897 3.9897 4.1255 4.1255 10.8955 10.8955 12.4884 12.4884 13.7900 13.7900 14.4761 14.4761 k = 0.5000-0.1971-0.4602 ( 11810 PWs) bands (ev): -40.6423 -40.6423 -20.4685 -20.4685 -20.1493 -20.1493 -20.1078 -20.1078 -19.8844 -19.8844 -19.7411 -19.7411 -19.6745 -19.6745 -6.0513 -6.0513 -5.9714 -5.9714 -4.7479 -4.7479 -4.6931 -4.6931 -4.2564 -4.2564 -4.0995 -4.0995 -2.5177 -2.5177 -2.1487 -2.1487 -1.8972 -1.8972 -1.0479 -1.0479 -0.8552 -0.8552 -0.6424 -0.6424 -0.4272 -0.4272 -0.3574 -0.3574 -0.1895 -0.1895 0.0413 0.0413 0.1060 0.1060 0.1561 0.1561 0.7006 0.7006 0.9015 0.9015 1.3157 1.3157 3.9928 3.9928 4.1242 4.1242 10.9309 10.9309 12.5175 12.5175 13.7175 13.7175 14.4165 14.4165 k = 0.5000-0.1876-0.4741 ( 11816 PWs) bands (ev): -40.6423 -40.6423 -20.4651 -20.4651 -20.1502 -20.1502 -20.1076 -20.1076 -19.8825 -19.8825 -19.7434 -19.7434 -19.6773 -19.6773 -6.0524 -6.0524 -5.9718 -5.9718 -4.7431 -4.7431 -4.6930 -4.6930 -4.2519 -4.2519 -4.1019 -4.1019 -2.5053 -2.5053 -2.1430 -2.1430 -1.9026 -1.9026 -1.0455 -1.0455 -0.8654 -0.8654 -0.6595 -0.6595 -0.4377 -0.4377 -0.3651 -0.3651 -0.1945 -0.1945 0.0452 0.0452 0.1063 0.1063 0.1590 0.1590 0.7142 0.7142 0.9052 0.9052 1.3167 1.3167 3.9959 3.9959 4.1227 4.1227 10.9677 10.9677 12.5483 12.5483 13.6449 13.6449 14.3565 14.3565 k = 0.5000-0.1781-0.4879 ( 11800 PWs) bands (ev): -40.6423 -40.6423 -20.4618 -20.4618 -20.1511 -20.1511 -20.1073 -20.1073 -19.8807 -19.8807 -19.7456 -19.7456 -19.6801 -19.6801 -6.0535 -6.0535 -5.9721 -5.9721 -4.7388 -4.7388 -4.6929 -4.6929 -4.2472 -4.2472 -4.1037 -4.1037 -2.4937 -2.4937 -2.1368 -2.1368 -1.9080 -1.9080 -1.0439 -1.0439 -0.8768 -0.8768 -0.6726 -0.6726 -0.4501 -0.4501 -0.3704 -0.3704 -0.2000 -0.2000 0.0491 0.0491 0.1061 0.1061 0.1618 0.1618 0.7261 0.7261 0.9090 0.9090 1.3181 1.3181 3.9987 3.9987 4.1211 4.1211 11.0057 11.0057 12.5805 12.5805 13.5729 13.5729 14.2964 14.2964 k = 0.5000-0.1686-0.5018 ( 11792 PWs) bands (ev): -40.6423 -40.6423 -20.4585 -20.4585 -20.1520 -20.1520 -20.1070 -20.1070 -19.8791 -19.8791 -19.7477 -19.7477 -19.6829 -19.6829 -6.0547 -6.0547 -5.9725 -5.9725 -4.7351 -4.7351 -4.6925 -4.6925 -4.2424 -4.2424 -4.1048 -4.1048 -2.4831 -2.4831 -2.1302 -2.1302 -1.9135 -1.9135 -1.0430 -1.0430 -0.8894 -0.8894 -0.6817 -0.6817 -0.4635 -0.4635 -0.3740 -0.3740 -0.2063 -0.2063 0.0530 0.0530 0.1056 0.1056 0.1644 0.1644 0.7363 0.7363 0.9131 0.9131 1.3198 1.3198 4.0014 4.0014 4.1194 4.1194 11.0445 11.0445 12.6141 12.6141 13.5019 13.5019 14.2364 14.2364 k = 0.5000-0.1592-0.5157 ( 11796 PWs) bands (ev): -40.6423 -40.6423 -20.4554 -20.4554 -20.1528 -20.1528 -20.1067 -20.1067 -19.8776 -19.8776 -19.7496 -19.7496 -19.6857 -19.6857 -6.0558 -6.0558 -5.9728 -5.9728 -4.7320 -4.7320 -4.6919 -4.6919 -4.2376 -4.2376 -4.1051 -4.1051 -2.4735 -2.4735 -2.1233 -2.1233 -1.9189 -1.9189 -1.0428 -1.0428 -0.9030 -0.9030 -0.6867 -0.6867 -0.4772 -0.4772 -0.3767 -0.3767 -0.2134 -0.2134 0.0568 0.0568 0.1047 0.1047 0.1669 0.1669 0.7449 0.7449 0.9172 0.9172 1.3220 1.3220 4.0039 4.0039 4.1176 4.1176 11.0839 11.0839 12.6489 12.6489 13.4325 13.4325 14.1765 14.1765 k = 0.5000-0.1497-0.5296 ( 11798 PWs) bands (ev): -40.6423 -40.6423 -20.4524 -20.4524 -20.1534 -20.1534 -20.1063 -20.1063 -19.8764 -19.8764 -19.7512 -19.7512 -19.6884 -19.6884 -6.0568 -6.0568 -5.9731 -5.9731 -4.7297 -4.7297 -4.6912 -4.6912 -4.2330 -4.2330 -4.1046 -4.1046 -2.4651 -2.4651 -2.1162 -2.1162 -1.9243 -1.9243 -1.0429 -1.0429 -0.9171 -0.9171 -0.6883 -0.6883 -0.4907 -0.4907 -0.3789 -0.3789 -0.2213 -0.2213 0.0606 0.0606 0.1037 0.1037 0.1689 0.1689 0.7520 0.7520 0.9213 0.9213 1.3245 1.3245 4.0062 4.0062 4.1156 4.1156 11.1233 11.1233 12.6846 12.6846 13.3655 13.3655 14.1170 14.1170 k = 0.5000-0.1402-0.5434 ( 11798 PWs) bands (ev): -40.6423 -40.6423 -20.4497 -20.4497 -20.1540 -20.1540 -20.1059 -20.1059 -19.8753 -19.8753 -19.7527 -19.7527 -19.6911 -19.6911 -6.0577 -6.0577 -5.9734 -5.9734 -4.7280 -4.7280 -4.6904 -4.6904 -4.2287 -4.2287 -4.1031 -4.1031 -2.4577 -2.4577 -2.1090 -2.1090 -1.9295 -1.9295 -1.0434 -1.0434 -0.9313 -0.9313 -0.6871 -0.6871 -0.5036 -0.5036 -0.3808 -0.3808 -0.2301 -0.2301 0.0644 0.0644 0.1026 0.1026 0.1704 0.1704 0.7576 0.7576 0.9255 0.9255 1.3273 1.3273 4.0082 4.0082 4.1136 4.1136 11.1623 11.1623 12.7208 12.7208 13.3016 13.3016 14.0582 14.0582 k = 0.5000-0.1307-0.5573 ( 11790 PWs) bands (ev): -40.6423 -40.6423 -20.4472 -20.4472 -20.1544 -20.1544 -20.1055 -20.1055 -19.8745 -19.8745 -19.7538 -19.7538 -19.6937 -19.6937 -6.0586 -6.0586 -5.9737 -5.9737 -4.7268 -4.7268 -4.6895 -4.6895 -4.2248 -4.2248 -4.1007 -4.1007 -2.4515 -2.4515 -2.1019 -2.1019 -1.9344 -1.9344 -1.0438 -1.0438 -0.9449 -0.9449 -0.6838 -0.6838 -0.5155 -0.5155 -0.3826 -0.3826 -0.2397 -0.2397 0.0680 0.0680 0.1016 0.1016 0.1714 0.1714 0.7620 0.7620 0.9296 0.9296 1.3304 1.3304 4.0099 4.0099 4.1116 4.1116 11.2002 11.2002 12.7570 12.7570 13.2418 13.2418 14.0003 14.0003 k = 0.5000-0.1213-0.5712 ( 11800 PWs) bands (ev): -40.6423 -40.6423 -20.4450 -20.4450 -20.1548 -20.1548 -20.1051 -20.1051 -19.8738 -19.8738 -19.7546 -19.7546 -19.6963 -19.6963 -6.0593 -6.0593 -5.9741 -5.9741 -4.7262 -4.7262 -4.6886 -4.6886 -4.2215 -4.2215 -4.0974 -4.0974 -2.4463 -2.4463 -2.0950 -2.0950 -1.9389 -1.9389 -1.0440 -1.0440 -0.9577 -0.9577 -0.6792 -0.6792 -0.5260 -0.5260 -0.3846 -0.3846 -0.2502 -0.2502 0.0716 0.0716 0.1007 0.1007 0.1717 0.1717 0.7654 0.7654 0.9335 0.9335 1.3338 1.3338 4.0114 4.0114 4.1095 4.1095 11.2363 11.2363 12.7922 12.7922 13.1875 13.1875 13.9439 13.9439 k = 0.5000-0.1118-0.5851 ( 11794 PWs) bands (ev): -40.6423 -40.6423 -20.4431 -20.4431 -20.1550 -20.1550 -20.1048 -20.1048 -19.8733 -19.8733 -19.7550 -19.7550 -19.6987 -19.6987 -6.0599 -6.0599 -5.9745 -5.9745 -4.7260 -4.7260 -4.6879 -4.6879 -4.2188 -4.2188 -4.0933 -4.0933 -2.4420 -2.4420 -2.0884 -2.0884 -1.9429 -1.9429 -1.0438 -1.0438 -0.9693 -0.9693 -0.6742 -0.6742 -0.5346 -0.5346 -0.3868 -0.3868 -0.2615 -0.2615 0.0749 0.0749 0.1002 0.1002 0.1714 0.1714 0.7678 0.7678 0.9372 0.9372 1.3373 1.3373 4.0125 4.0125 4.1073 4.1073 11.2697 11.2697 12.8251 12.8251 13.1403 13.1403 13.8895 13.8895 k = 0.5000-0.1023-0.5989 ( 11794 PWs) bands (ev): -40.6423 -40.6423 -20.4416 -20.4416 -20.1551 -20.1551 -20.1044 -20.1044 -19.8730 -19.8730 -19.7552 -19.7552 -19.7011 -19.7011 -6.0603 -6.0603 -5.9749 -5.9749 -4.7261 -4.7261 -4.6872 -4.6872 -4.2167 -4.2167 -4.0885 -4.0885 -2.4386 -2.4386 -2.0824 -2.0824 -1.9463 -1.9463 -1.0431 -1.0431 -0.9794 -0.9794 -0.6695 -0.6695 -0.5408 -0.5408 -0.3893 -0.3893 -0.2738 -0.2738 0.0778 0.0778 0.1001 0.1001 0.1703 0.1703 0.7696 0.7696 0.9406 0.9406 1.3409 1.3409 4.0133 4.0133 4.1051 4.1051 11.2995 11.2995 12.8536 12.8536 13.1027 13.1027 13.8380 13.8380 k = 0.5000-0.0928-0.6128 ( 11798 PWs) bands (ev): -40.6423 -40.6423 -20.4405 -20.4405 -20.1550 -20.1550 -20.1041 -20.1041 -19.8727 -19.8727 -19.7551 -19.7551 -19.7032 -19.7032 -6.0605 -6.0605 -5.9754 -5.9754 -4.7265 -4.7265 -4.6867 -4.6867 -4.2152 -4.2152 -4.0831 -4.0831 -2.4360 -2.4360 -2.0772 -2.0772 -1.9490 -1.9490 -1.0418 -1.0418 -0.9878 -0.9878 -0.6659 -0.6659 -0.5441 -0.5441 -0.3922 -0.3922 -0.2868 -0.2868 0.0803 0.0803 0.1006 0.1006 0.1685 0.1685 0.7708 0.7708 0.9436 0.9436 1.3446 1.3446 4.0139 4.0139 4.1029 4.1029 11.3247 11.3247 12.8747 12.8747 13.0775 13.0775 13.7905 13.7905 k = 0.5000-0.0834-0.6267 ( 11796 PWs) bands (ev): -40.6423 -40.6423 -20.4397 -20.4397 -20.1549 -20.1549 -20.1038 -20.1038 -19.8725 -19.8725 -19.7548 -19.7548 -19.7052 -19.7052 -6.0605 -6.0605 -5.9760 -5.9760 -4.7271 -4.7271 -4.6864 -4.6864 -4.2143 -4.2143 -4.0773 -4.0773 -2.4340 -2.4340 -2.0729 -2.0729 -1.9508 -1.9508 -1.0399 -1.0399 -0.9943 -0.9943 -0.6640 -0.6640 -0.5442 -0.5442 -0.3954 -0.3954 -0.3004 -0.3004 0.0822 0.0822 0.1017 0.1017 0.1660 0.1660 0.7716 0.7716 0.9463 0.9463 1.3482 1.3482 4.0141 4.0141 4.1007 4.1007 11.3441 11.3441 12.8865 12.8865 13.0663 13.0663 13.7485 13.7485 k = 0.5000-0.0739-0.6406 ( 11794 PWs) bands (ev): -40.6423 -40.6423 -20.4394 -20.4394 -20.1546 -20.1546 -20.1036 -20.1036 -19.8723 -19.8723 -19.7543 -19.7543 -19.7069 -19.7069 -6.0604 -6.0604 -5.9766 -5.9766 -4.7279 -4.7279 -4.6863 -4.6863 -4.2139 -4.2139 -4.0713 -4.0713 -2.4325 -2.4325 -2.0694 -2.0694 -1.9519 -1.9519 -1.0376 -1.0376 -0.9985 -0.9985 -0.6640 -0.6640 -0.5412 -0.5412 -0.3989 -0.3989 -0.3147 -0.3147 0.0835 0.0835 0.1034 0.1034 0.1627 0.1627 0.7722 0.7722 0.9486 0.9486 1.3517 1.3517 4.0141 4.0141 4.0985 4.0985 11.3568 11.3568 12.8905 12.8905 13.0667 13.0667 13.7141 13.7141 k = 0.5000-0.0644-0.6545 ( 11796 PWs) bands (ev): -40.6423 -40.6423 -20.4395 -20.4395 -20.1542 -20.1542 -20.1034 -20.1034 -19.8721 -19.8721 -19.7538 -19.7538 -19.7082 -19.7082 -6.0601 -6.0601 -5.9773 -5.9773 -4.7288 -4.7288 -4.6862 -4.6862 -4.2141 -4.2141 -4.0653 -4.0653 -2.4313 -2.4313 -2.0669 -2.0669 -1.9521 -1.9521 -1.0354 -1.0354 -0.9999 -0.9999 -0.6656 -0.6656 -0.5355 -0.5355 -0.4028 -0.4028 -0.3293 -0.3293 0.0844 0.0844 0.1055 0.1055 0.1588 0.1588 0.7726 0.7726 0.9505 0.9505 1.3550 1.3550 4.0138 4.0138 4.0964 4.0964 11.3621 11.3621 12.8918 12.8918 13.0721 13.0721 13.6897 13.6897 k = 0.7668 0.0748-0.2981 ( 11796 PWs) bands (ev): -40.6423 -40.6423 -20.4395 -20.4395 -20.1542 -20.1542 -20.1034 -20.1034 -19.8721 -19.8721 -19.7538 -19.7538 -19.7082 -19.7082 -6.0601 -6.0601 -5.9773 -5.9773 -4.7288 -4.7288 -4.6862 -4.6862 -4.2141 -4.2141 -4.0653 -4.0653 -2.4313 -2.4313 -2.0669 -2.0669 -1.9521 -1.9521 -1.0354 -1.0354 -0.9999 -0.9999 -0.6656 -0.6656 -0.5355 -0.5355 -0.4028 -0.4028 -0.3293 -0.3293 0.0844 0.0844 0.1055 0.1055 0.1589 0.1589 0.7726 0.7726 0.9505 0.9505 1.3550 1.3550 4.0138 4.0138 4.0963 4.0963 11.3621 11.3621 12.8918 12.8918 13.0721 13.0721 13.6897 13.6897 k = 0.7590 0.0803-0.2841 ( 11790 PWs) bands (ev): -40.6423 -40.6423 -20.4400 -20.4400 -20.1537 -20.1537 -20.1033 -20.1033 -19.8719 -19.8719 -19.7533 -19.7533 -19.7091 -19.7091 -6.0595 -6.0595 -5.9781 -5.9781 -4.7299 -4.7299 -4.6863 -4.6863 -4.2147 -4.2147 -4.0593 -4.0593 -2.4306 -2.4306 -2.0653 -2.0653 -1.9515 -1.9515 -1.0336 -1.0336 -0.9980 -0.9980 -0.6684 -0.6684 -0.5281 -0.5281 -0.4072 -0.4072 -0.3440 -0.3440 0.0848 0.0848 0.1077 0.1077 0.1544 0.1544 0.7730 0.7730 0.9519 0.9519 1.3581 1.3581 4.0133 4.0133 4.0942 4.0942 11.3591 11.3591 12.8948 12.8948 13.0763 13.0763 13.6775 13.6775 k = 0.7511 0.0858-0.2701 ( 11794 PWs) bands (ev): -40.6423 -40.6423 -20.4410 -20.4410 -20.1531 -20.1531 -20.1033 -20.1033 -19.8716 -19.8716 -19.7528 -19.7528 -19.7096 -19.7096 -6.0589 -6.0589 -5.9789 -5.9789 -4.7311 -4.7311 -4.6865 -4.6865 -4.2158 -4.2158 -4.0534 -4.0534 -2.4300 -2.4300 -2.0644 -2.0644 -1.9504 -1.9504 -1.0325 -1.0325 -0.9928 -0.9928 -0.6719 -0.6719 -0.5199 -0.5199 -0.4119 -0.4119 -0.3581 -0.3581 0.0849 0.0849 0.1098 0.1098 0.1497 0.1497 0.7734 0.7734 0.9530 0.9530 1.3608 1.3608 4.0126 4.0126 4.0921 4.0921 11.3477 11.3477 12.9008 12.9008 13.0767 13.0767 13.6796 13.6796 k = 0.7433 0.0912-0.2561 ( 11796 PWs) bands (ev): -40.6423 -40.6423 -20.4424 -20.4424 -20.1525 -20.1525 -20.1033 -20.1033 -19.8713 -19.8713 -19.7525 -19.7525 -19.7095 -19.7095 -6.0580 -6.0580 -5.9798 -5.9798 -4.7324 -4.7324 -4.6867 -4.6867 -4.2174 -4.2174 -4.0479 -4.0479 -2.4296 -2.4296 -2.0641 -2.0641 -1.9489 -1.9489 -1.0316 -1.0316 -0.9845 -0.9845 -0.6755 -0.6755 -0.5121 -0.5121 -0.4174 -0.4174 -0.3705 -0.3705 0.0844 0.0844 0.1114 0.1114 0.1450 0.1450 0.7740 0.7740 0.9536 0.9536 1.3632 1.3632 4.0118 4.0118 4.0900 4.0900 11.3282 11.3282 12.9069 12.9069 13.0758 13.0758 13.6960 13.6960 k = 0.7354 0.0967-0.2421 ( 11802 PWs) bands (ev): -40.6423 -40.6423 -20.4442 -20.4442 -20.1517 -20.1517 -20.1034 -20.1034 -19.8709 -19.8709 -19.7523 -19.7523 -19.7089 -19.7089 -6.0570 -6.0570 -5.9807 -5.9807 -4.7338 -4.7338 -4.6870 -4.6870 -4.2193 -4.2193 -4.0427 -4.0427 -2.4293 -2.4293 -2.0643 -2.0643 -1.9472 -1.9472 -1.0306 -1.0306 -0.9737 -0.9737 -0.6789 -0.6789 -0.5061 -0.5061 -0.4240 -0.4240 -0.3797 -0.3797 0.0831 0.0831 0.1123 0.1123 0.1409 0.1409 0.7747 0.7747 0.9538 0.9538 1.3651 1.3651 4.0110 4.0110 4.0879 4.0879 11.3009 11.3009 12.9061 12.9061 13.0815 13.0815 13.7255 13.7255 k = 0.7276 0.1022-0.2281 ( 11816 PWs) bands (ev): -40.6423 -40.6423 -20.4464 -20.4464 -20.1509 -20.1509 -20.1036 -20.1036 -19.8706 -19.8706 -19.7522 -19.7522 -19.7078 -19.7078 -6.0559 -6.0559 -5.9817 -5.9817 -4.7353 -4.7353 -4.6873 -4.6873 -4.2215 -4.2215 -4.0378 -4.0378 -2.4292 -2.4292 -2.0647 -2.0647 -1.9455 -1.9455 -1.0291 -1.0291 -0.9609 -0.9609 -0.6819 -0.6819 -0.5035 -0.5035 -0.4319 -0.4319 -0.3839 -0.3839 0.0805 0.0805 0.1123 0.1123 0.1379 0.1379 0.7757 0.7757 0.9536 0.9536 1.3665 1.3665 4.0101 4.0101 4.0858 4.0858 11.2669 11.2669 12.8913 12.8913 13.1022 13.1022 13.7660 13.7660 k = 0.7197 0.1076-0.2141 ( 11816 PWs) bands (ev): -40.6423 -40.6423 -20.4490 -20.4490 -20.1499 -20.1499 -20.1038 -20.1038 -19.8703 -19.8703 -19.7521 -19.7521 -19.7061 -19.7061 -6.0547 -6.0547 -5.9826 -5.9826 -4.7369 -4.7369 -4.6876 -4.6876 -4.2241 -4.2241 -4.0334 -4.0334 -2.4291 -2.4291 -2.0653 -2.0653 -1.9438 -1.9438 -1.0271 -1.0271 -0.9462 -0.9462 -0.6844 -0.6844 -0.5057 -0.5057 -0.4403 -0.4403 -0.3828 -0.3828 0.0762 0.0762 0.1116 0.1116 0.1362 0.1362 0.7769 0.7769 0.9529 0.9529 1.3674 1.3674 4.0092 4.0092 4.0838 4.0838 11.2270 11.2270 12.8621 12.8621 13.1395 13.1395 13.8152 13.8152 k = 0.7119 0.1131-0.2001 ( 11810 PWs) bands (ev): -40.6423 -40.6423 -20.4519 -20.4519 -20.1489 -20.1489 -20.1040 -20.1040 -19.8702 -19.8702 -19.7520 -19.7520 -19.7040 -19.7040 -6.0535 -6.0535 -5.9836 -5.9836 -4.7385 -4.7385 -4.6879 -4.6879 -4.2270 -4.2270 -4.0293 -4.0293 -2.4291 -2.4291 -2.0660 -2.0660 -1.9425 -1.9425 -1.0245 -1.0245 -0.9300 -0.9300 -0.6860 -0.6860 -0.5130 -0.5130 -0.4478 -0.4478 -0.3770 -0.3770 0.0698 0.0698 0.1108 0.1108 0.1357 0.1357 0.7783 0.7783 0.9518 0.9518 1.3677 1.3677 4.0084 4.0084 4.0818 4.0818 11.1822 11.1822 12.8229 12.8229 13.1900 13.1900 13.8713 13.8713 k = 0.7040 0.1186-0.1861 ( 11802 PWs) bands (ev): -40.6423 -40.6423 -20.4552 -20.4552 -20.1478 -20.1478 -20.1043 -20.1043 -19.8703 -19.8703 -19.7517 -19.7517 -19.7016 -19.7016 -6.0522 -6.0522 -5.9846 -5.9846 -4.7402 -4.7402 -4.6883 -4.6883 -4.2301 -4.2301 -4.0255 -4.0255 -2.4291 -2.4291 -2.0667 -2.0667 -1.9415 -1.9415 -1.0214 -1.0214 -0.9123 -0.9123 -0.6869 -0.6869 -0.5245 -0.5245 -0.4541 -0.4541 -0.3676 -0.3676 0.0613 0.0613 0.1102 0.1102 0.1357 0.1357 0.7800 0.7800 0.9504 0.9504 1.3674 1.3674 4.0077 4.0077 4.0798 4.0798 11.1336 11.1336 12.7775 12.7775 13.2504 13.2504 13.9329 13.9329 k = 0.6962 0.1241-0.1721 ( 11790 PWs) bands (ev): -40.6423 -40.6423 -20.4588 -20.4588 -20.1467 -20.1467 -20.1045 -20.1045 -19.8706 -19.8706 -19.7512 -19.7512 -19.6988 -19.6988 -6.0510 -6.0510 -5.9854 -5.9854 -4.7418 -4.7418 -4.6887 -4.6887 -4.2334 -4.2334 -4.0221 -4.0221 -2.4293 -2.4293 -2.0674 -2.0674 -1.9410 -1.9410 -1.0179 -1.0179 -0.8933 -0.8933 -0.6868 -0.6868 -0.5389 -0.5389 -0.4592 -0.4592 -0.3559 -0.3559 0.0511 0.0511 0.1099 0.1099 0.1359 0.1359 0.7819 0.7819 0.9484 0.9484 1.3666 1.3666 4.0072 4.0072 4.0778 4.0778 11.0820 11.0820 12.7284 12.7284 13.3185 13.3185 13.9989 13.9989 k = 0.6883 0.1295-0.1580 ( 11790 PWs) bands (ev): -40.6423 -40.6423 -20.4626 -20.4626 -20.1454 -20.1454 -20.1047 -20.1047 -19.8713 -19.8713 -19.7504 -19.7504 -19.6958 -19.6958 -6.0499 -6.0499 -5.9863 -5.9863 -4.7435 -4.7435 -4.6891 -4.6891 -4.2368 -4.2368 -4.0189 -4.0189 -2.4296 -2.4296 -2.0680 -2.0680 -1.9410 -1.9410 -1.0141 -1.0141 -0.8735 -0.8735 -0.6857 -0.6857 -0.5548 -0.5548 -0.4631 -0.4631 -0.3427 -0.3427 0.0395 0.0395 0.1098 0.1098 0.1361 0.1361 0.7840 0.7840 0.9461 0.9461 1.3651 1.3651 4.0069 4.0069 4.0758 4.0758 11.0283 11.0283 12.6771 12.6771 13.3926 13.3926 14.0685 14.0685 k = 0.6805 0.1350-0.1440 ( 11790 PWs) bands (ev): -40.6423 -40.6423 -20.4667 -20.4667 -20.1441 -20.1441 -20.1050 -20.1050 -19.8724 -19.8724 -19.7493 -19.7493 -19.6925 -19.6925 -6.0489 -6.0489 -5.9870 -5.9870 -4.7451 -4.7451 -4.6897 -4.6897 -4.2402 -4.2402 -4.0160 -4.0160 -2.4300 -2.4300 -2.0685 -2.0685 -1.9416 -1.9416 -1.0100 -1.0100 -0.8529 -0.8529 -0.6836 -0.6836 -0.5712 -0.5712 -0.4661 -0.4661 -0.3285 -0.3285 0.0267 0.0267 0.1098 0.1098 0.1360 0.1360 0.7862 0.7862 0.9433 0.9433 1.3631 1.3631 4.0068 4.0068 4.0738 4.0738 10.9732 10.9732 12.6246 12.6246 13.4718 13.4718 14.1411 14.1411 k = 0.6726 0.1405-0.1300 ( 11788 PWs) bands (ev): -40.6423 -40.6423 -20.4709 -20.4709 -20.1426 -20.1426 -20.1052 -20.1052 -19.8739 -19.8739 -19.7478 -19.7478 -19.6892 -19.6892 -6.0480 -6.0480 -5.9875 -5.9875 -4.7466 -4.7466 -4.6904 -4.6904 -4.2436 -4.2436 -4.0133 -4.0133 -2.4306 -2.4306 -2.0690 -2.0690 -1.9428 -1.9428 -1.0060 -1.0060 -0.8322 -0.8322 -0.6805 -0.6805 -0.5874 -0.5874 -0.4677 -0.4677 -0.3138 -0.3138 0.0131 0.0131 0.1097 0.1097 0.1357 0.1357 0.7885 0.7885 0.9401 0.9401 1.3604 1.3604 4.0070 4.0070 4.0718 4.0718 10.9174 10.9174 12.5717 12.5717 13.5551 13.5551 14.2161 14.2161 k = 0.6648 0.1460-0.1160 ( 11784 PWs) bands (ev): -40.6423 -40.6423 -20.4753 -20.4753 -20.1411 -20.1411 -20.1054 -20.1054 -19.8757 -19.8757 -19.7460 -19.7460 -19.6857 -19.6857 -6.0474 -6.0474 -5.9879 -5.9879 -4.7481 -4.7481 -4.6912 -4.6912 -4.2469 -4.2469 -4.0108 -4.0108 -2.4314 -2.4314 -2.0695 -2.0695 -1.9447 -1.9447 -1.0020 -1.0020 -0.8116 -0.8116 -0.6767 -0.6767 -0.6027 -0.6027 -0.4677 -0.4677 -0.2988 -0.2988 -0.0013 -0.0013 0.1094 0.1094 0.1350 0.1350 0.7908 0.7908 0.9364 0.9364 1.3572 1.3572 4.0075 4.0075 4.0699 4.0699 10.8613 10.8613 12.5188 12.5188 13.6418 13.6418 14.2932 14.2932 k = 0.6569 0.1514-0.1020 ( 11772 PWs) bands (ev): -40.6423 -40.6423 -20.4798 -20.4798 -20.1395 -20.1395 -20.1055 -20.1055 -19.8780 -19.8780 -19.7438 -19.7438 -19.6821 -19.6821 -6.0470 -6.0470 -5.9881 -5.9881 -4.7495 -4.7495 -4.6921 -4.6921 -4.2501 -4.2501 -4.0083 -4.0083 -2.4323 -2.4323 -2.0699 -2.0699 -1.9471 -1.9471 -0.9984 -0.9984 -0.7920 -0.7920 -0.6727 -0.6727 -0.6159 -0.6159 -0.4658 -0.4658 -0.2837 -0.2837 -0.0162 -0.0162 0.1090 0.1090 0.1340 0.1340 0.7930 0.7930 0.9324 0.9324 1.3535 1.3535 4.0082 4.0082 4.0680 4.0680 10.8055 10.8055 12.4665 12.4665 13.7315 13.7315 14.3722 14.3722 k = 0.6491 0.1569-0.0880 ( 11768 PWs) bands (ev): -40.6423 -40.6423 -20.4844 -20.4844 -20.1377 -20.1377 -20.1056 -20.1056 -19.8807 -19.8807 -19.7414 -19.7414 -19.6784 -19.6784 -6.0469 -6.0469 -5.9881 -5.9881 -4.7507 -4.7507 -4.6932 -4.6932 -4.2530 -4.2530 -4.0060 -4.0060 -2.4335 -2.4335 -2.0703 -2.0703 -1.9502 -1.9502 -0.9952 -0.9952 -0.7738 -0.7738 -0.6702 -0.6702 -0.6251 -0.6251 -0.4613 -0.4613 -0.2687 -0.2687 -0.0315 -0.0315 0.1082 0.1082 0.1325 0.1325 0.7951 0.7951 0.9280 0.9280 1.3493 1.3493 4.0092 4.0092 4.0661 4.0661 10.7504 10.7504 12.4150 12.4150 13.8236 13.8236 14.4526 14.4526 k = 0.6412 0.1624-0.0740 ( 11760 PWs) bands (ev): -40.6423 -40.6423 -20.4890 -20.4890 -20.1359 -20.1359 -20.1057 -20.1057 -19.8837 -19.8837 -19.7387 -19.7387 -19.6748 -19.6748 -6.0471 -6.0471 -5.9878 -5.9878 -4.7519 -4.7519 -4.6945 -4.6945 -4.2556 -4.2556 -4.0038 -4.0038 -2.4349 -2.4349 -2.0707 -2.0707 -1.9538 -1.9538 -0.9927 -0.9927 -0.7578 -0.7578 -0.6712 -0.6712 -0.6280 -0.6280 -0.4539 -0.4539 -0.2538 -0.2538 -0.0471 -0.0471 0.1072 0.1072 0.1305 0.1305 0.7968 0.7968 0.9233 0.9233 1.3447 1.3447 4.0105 4.0105 4.0642 4.0642 10.6963 10.6963 12.3647 12.3647 13.9176 13.9176 14.5342 14.5342 k = 0.6334 0.1678-0.0600 ( 11768 PWs) bands (ev): -40.6423 -40.6423 -20.4936 -20.4936 -20.1340 -20.1340 -20.1058 -20.1058 -19.8870 -19.8870 -19.7358 -19.7358 -19.6711 -19.6711 -6.0475 -6.0475 -5.9874 -5.9874 -4.7530 -4.7530 -4.6959 -4.6959 -4.2579 -4.2579 -4.0016 -4.0016 -2.4365 -2.4365 -2.0712 -2.0712 -1.9578 -1.9578 -0.9909 -0.9909 -0.7449 -0.7449 -0.6752 -0.6752 -0.6249 -0.6249 -0.4429 -0.4429 -0.2393 -0.2393 -0.0629 -0.0629 0.1058 0.1058 0.1282 0.1282 0.7980 0.7980 0.9183 0.9183 1.3397 1.3397 4.0120 4.0120 4.0624 4.0624 10.6436 10.6436 12.3157 12.3157 14.0132 14.0132 14.6169 14.6169 k = 0.6256 0.1733-0.0460 ( 11768 PWs) bands (ev): -40.6423 -40.6423 -20.4982 -20.4982 -20.1320 -20.1320 -20.1058 -20.1058 -19.8906 -19.8906 -19.7328 -19.7328 -19.6674 -19.6674 -6.0482 -6.0482 -5.9868 -5.9868 -4.7540 -4.7540 -4.6975 -4.6975 -4.2598 -4.2598 -3.9995 -3.9995 -2.4383 -2.4383 -2.0718 -2.0718 -1.9621 -1.9621 -0.9901 -0.9901 -0.7360 -0.7360 -0.6786 -0.6786 -0.6186 -0.6186 -0.4279 -0.4279 -0.2253 -0.2253 -0.0785 -0.0785 0.1041 0.1041 0.1253 0.1253 0.7986 0.7986 0.9133 0.9133 1.3343 1.3343 4.0138 4.0138 4.0607 4.0607 10.5926 10.5926 12.2684 12.2684 14.1100 14.1100 14.7004 14.7004 k = 0.6177 0.1788-0.0320 ( 11776 PWs) bands (ev): -40.6423 -40.6423 -20.5026 -20.5026 -20.1299 -20.1299 -20.1058 -20.1058 -19.8943 -19.8943 -19.7298 -19.7298 -19.6638 -19.6638 -6.0491 -6.0491 -5.9860 -5.9860 -4.7549 -4.7549 -4.6992 -4.6992 -4.2613 -4.2613 -3.9974 -3.9974 -2.4403 -2.4403 -2.0724 -2.0724 -1.9668 -1.9668 -0.9903 -0.9903 -0.7320 -0.7320 -0.6783 -0.6783 -0.6116 -0.6116 -0.4091 -0.4091 -0.2120 -0.2120 -0.0938 -0.0938 0.1022 0.1022 0.1221 0.1221 0.7984 0.7984 0.9083 0.9083 1.3288 1.3288 4.0157 4.0157 4.0591 4.0591 10.5435 10.5435 12.2229 12.2229 14.2076 14.2076 14.7844 14.7844 k = 0.6099 0.1843-0.0180 ( 11778 PWs) bands (ev): -40.6423 -40.6423 -20.5070 -20.5070 -20.1277 -20.1277 -20.1058 -20.1058 -19.8982 -19.8982 -19.7268 -19.7268 -19.6603 -19.6603 -6.0502 -6.0502 -5.9852 -5.9852 -4.7557 -4.7557 -4.7009 -4.7009 -4.2625 -4.2625 -3.9954 -3.9954 -2.4425 -2.4425 -2.0733 -2.0733 -1.9715 -1.9715 -0.9915 -0.9915 -0.7325 -0.7325 -0.6737 -0.6737 -0.6050 -0.6050 -0.3866 -0.3866 -0.2000 -0.2000 -0.1081 -0.1081 0.1000 0.1000 0.1184 0.1184 0.7972 0.7972 0.9034 0.9034 1.3232 1.3232 4.0178 4.0178 4.0575 4.0575 10.4966 10.4966 12.1794 12.1794 14.3057 14.3057 14.8686 14.8686 k = 0.6020 0.1897-0.0039 ( 11780 PWs) bands (ev): -40.6423 -40.6423 -20.5112 -20.5112 -20.1255 -20.1255 -20.1058 -20.1058 -19.9022 -19.9022 -19.7238 -19.7238 -19.6568 -19.6568 -6.0515 -6.0515 -5.9842 -5.9842 -4.7564 -4.7564 -4.7028 -4.7028 -4.2633 -4.2633 -3.9934 -3.9934 -2.4449 -2.4449 -2.0743 -2.0743 -1.9762 -1.9762 -0.9937 -0.9937 -0.7354 -0.7354 -0.6662 -0.6662 -0.5992 -0.5992 -0.3611 -0.3611 -0.1902 -0.1902 -0.1205 -0.1205 0.0975 0.0975 0.1143 0.1143 0.7947 0.7947 0.8989 0.8989 1.3174 1.3174 4.0201 4.0201 4.0560 4.0560 10.4520 10.4520 12.1381 12.1381 14.4038 14.4038 14.9530 14.9530 k = 0.5942 0.1952 0.0101 ( 11778 PWs) bands (ev): -40.6423 -40.6423 -20.5152 -20.5152 -20.1233 -20.1233 -20.1057 -20.1057 -19.9062 -19.9062 -19.7210 -19.7210 -19.6535 -19.6535 -6.0528 -6.0528 -5.9832 -5.9832 -4.7571 -4.7571 -4.7046 -4.7046 -4.2638 -4.2638 -3.9914 -3.9914 -2.4474 -2.4474 -2.0755 -2.0755 -1.9808 -1.9808 -0.9969 -0.9969 -0.7390 -0.7390 -0.6572 -0.6572 -0.5942 -0.5942 -0.3333 -0.3333 -0.1847 -0.1847 -0.1285 -0.1285 0.0947 0.0947 0.1098 0.1098 0.7909 0.7909 0.8950 0.8950 1.3118 1.3118 4.0223 4.0223 4.0547 4.0547 10.4100 10.4100 12.0992 12.0992 14.5016 14.5016 15.0370 15.0370 k = 0.5863 0.2007 0.0241 ( 11774 PWs) bands (ev): -40.6423 -40.6423 -20.5191 -20.5191 -20.1210 -20.1210 -20.1056 -20.1056 -19.9102 -19.9102 -19.7182 -19.7182 -19.6503 -19.6503 -6.0543 -6.0543 -5.9822 -5.9822 -4.7577 -4.7577 -4.7064 -4.7064 -4.2639 -4.2639 -3.9895 -3.9895 -2.4500 -2.4500 -2.0769 -2.0769 -1.9851 -1.9851 -1.0008 -1.0008 -0.7424 -0.7424 -0.6475 -0.6475 -0.5899 -0.5899 -0.3041 -0.3041 -0.1862 -0.1862 -0.1296 -0.1296 0.0917 0.0917 0.1050 0.1050 0.7857 0.7857 0.8917 0.8917 1.3062 1.3062 4.0246 4.0246 4.0536 4.0536 10.3708 10.3708 12.0628 12.0628 14.5986 14.5986 15.1205 15.1205 k = 0.5785 0.2062 0.0381 ( 11774 PWs) bands (ev): -40.6423 -40.6423 -20.5226 -20.5226 -20.1188 -20.1188 -20.1056 -20.1056 -19.9141 -19.9141 -19.7156 -19.7156 -19.6473 -19.6473 -6.0557 -6.0557 -5.9812 -5.9812 -4.7583 -4.7583 -4.7081 -4.7081 -4.2638 -4.2638 -3.9877 -3.9877 -2.4526 -2.4526 -2.0786 -2.0786 -1.9890 -1.9890 -1.0053 -1.0053 -0.7452 -0.7452 -0.6375 -0.6375 -0.5863 -0.5863 -0.2745 -0.2745 -0.1937 -0.1937 -0.1243 -0.1243 0.0886 0.0886 0.1000 0.1000 0.7791 0.7791 0.8891 0.8891 1.3009 1.3009 4.0267 4.0267 4.0526 4.0526 10.3345 10.3345 12.0291 12.0291 14.6943 14.6943 15.2029 15.2029 k = 0.5706 0.2116 0.0521 ( 11786 PWs) bands (ev): -40.6423 -40.6423 -20.5259 -20.5259 -20.1166 -20.1166 -20.1055 -20.1055 -19.9179 -19.9179 -19.7133 -19.7133 -19.6444 -19.6444 -6.0572 -6.0572 -5.9802 -5.9802 -4.7589 -4.7589 -4.7098 -4.7098 -4.2635 -4.2635 -3.9860 -3.9860 -2.4552 -2.4552 -2.0805 -2.0805 -1.9925 -1.9925 -1.0101 -1.0101 -0.7473 -0.7473 -0.6275 -0.6275 -0.5831 -0.5831 -0.2463 -0.2463 -0.2028 -0.2028 -0.1158 -0.1158 0.0852 0.0852 0.0946 0.0946 0.7713 0.7713 0.8872 0.8872 1.2958 1.2958 4.0288 4.0288 4.0518 4.0518 10.3012 10.3012 11.9981 11.9981 14.7879 14.7879 15.2838 15.2838 k = 0.5628 0.2171 0.0661 ( 11796 PWs) bands (ev): -40.6423 -40.6423 -20.5290 -20.5290 -20.1145 -20.1145 -20.1054 -20.1054 -19.9214 -19.9214 -19.7111 -19.7111 -19.6418 -19.6418 -6.0585 -6.0585 -5.9793 -5.9793 -4.7594 -4.7594 -4.7113 -4.7113 -4.2631 -4.2631 -3.9844 -3.9844 -2.4577 -2.4577 -2.0825 -2.0825 -1.9956 -1.9956 -1.0151 -1.0151 -0.7489 -0.7489 -0.6176 -0.6176 -0.5803 -0.5803 -0.2294 -0.2294 -0.2021 -0.2021 -0.1062 -0.1062 0.0816 0.0816 0.0892 0.0892 0.7627 0.7627 0.8858 0.8858 1.2911 1.2911 4.0306 4.0306 4.0513 4.0513 10.2711 10.2711 11.9701 11.9701 14.8785 14.8785 15.3623 15.3623 k = 0.5549 0.2226 0.0801 ( 11806 PWs) bands (ev): -40.6423 -40.6423 -20.5317 -20.5317 -20.1125 -20.1125 -20.1053 -20.1053 -19.9247 -19.9247 -19.7091 -19.7091 -19.6395 -19.6395 -6.0599 -6.0599 -5.9785 -5.9785 -4.7599 -4.7599 -4.7127 -4.7127 -4.2625 -4.2625 -3.9829 -3.9829 -2.4602 -2.4602 -2.0846 -2.0846 -1.9981 -1.9981 -1.0200 -1.0200 -0.7499 -0.7499 -0.6081 -0.6081 -0.5779 -0.5779 -0.2350 -0.2350 -0.1800 -0.1800 -0.0963 -0.0963 0.0778 0.0778 0.0838 0.0838 0.7536 0.7536 0.8848 0.8848 1.2868 1.2868 4.0321 4.0321 4.0510 4.0510 10.2443 10.2443 11.9450 11.9450 14.9650 14.9650 15.4374 15.4374 k = 0.5471 0.2280 0.0941 ( 11806 PWs) bands (ev): -40.6423 -40.6423 -20.5341 -20.5341 -20.1107 -20.1107 -20.1053 -20.1053 -19.9277 -19.9277 -19.7074 -19.7074 -19.6374 -19.6374 -6.0610 -6.0610 -5.9777 -5.9777 -4.7604 -4.7604 -4.7139 -4.7139 -4.2619 -4.2619 -3.9816 -3.9816 -2.4624 -2.4624 -2.0866 -2.0866 -2.0002 -2.0002 -1.0247 -1.0247 -0.7506 -0.7506 -0.5991 -0.5991 -0.5757 -0.5757 -0.2452 -0.2452 -0.1546 -0.1546 -0.0865 -0.0865 0.0737 0.0737 0.0785 0.0785 0.7443 0.7443 0.8842 0.8842 1.2830 1.2830 4.0333 4.0333 4.0509 4.0509 10.2208 10.2208 11.9232 11.9232 15.0458 15.0458 15.5080 15.5080 k = 0.5392 0.2335 0.1081 ( 11812 PWs) bands (ev): -40.6423 -40.6423 -20.5361 -20.5361 -20.1091 -20.1091 -20.1052 -20.1052 -19.9304 -19.9304 -19.7060 -19.7060 -19.6355 -19.6355 -6.0621 -6.0621 -5.9771 -5.9771 -4.7608 -4.7608 -4.7149 -4.7149 -4.2613 -4.2613 -3.9804 -3.9804 -2.4644 -2.4644 -2.0886 -2.0886 -2.0019 -2.0019 -1.0289 -1.0289 -0.7510 -0.7510 -0.5909 -0.5909 -0.5739 -0.5739 -0.2552 -0.2552 -0.1310 -0.1310 -0.0770 -0.0770 0.0695 0.0695 0.0735 0.0735 0.7354 0.7354 0.8838 0.8838 1.2797 1.2797 4.0342 4.0342 4.0511 4.0511 10.2008 10.2008 11.9045 11.9045 15.1189 15.1189 15.5730 15.5730 k = 0.5314 0.2390 0.1221 ( 11800 PWs) bands (ev): -40.6423 -40.6423 -20.5378 -20.5378 -20.1077 -20.1077 -20.1051 -20.1051 -19.9326 -19.9326 -19.7048 -19.7048 -19.6340 -19.6340 -6.0630 -6.0630 -5.9765 -5.9765 -4.7612 -4.7612 -4.7157 -4.7157 -4.2607 -4.2607 -3.9794 -3.9794 -2.4662 -2.4662 -2.0904 -2.0904 -2.0031 -2.0031 -1.0325 -1.0325 -0.7511 -0.7511 -0.5837 -0.5837 -0.5724 -0.5724 -0.2641 -0.2641 -0.1106 -0.1106 -0.0678 -0.0678 0.0652 0.0652 0.0689 0.0689 0.7273 0.7273 0.8836 0.8836 1.2770 1.2770 4.0348 4.0348 4.0514 4.0514 10.1844 10.1844 11.8891 11.8891 15.1818 15.1818 15.6330 15.6330 k = 0.5235 0.2445 0.1361 ( 11800 PWs) bands (ev): -40.6423 -40.6423 -20.5392 -20.5392 -20.1065 -20.1065 -20.1051 -20.1051 -19.9344 -19.9344 -19.7038 -19.7038 -19.6329 -19.6329 -6.0637 -6.0637 -5.9761 -5.9761 -4.7615 -4.7615 -4.7163 -4.7163 -4.2602 -4.2602 -3.9787 -3.9787 -2.4676 -2.4676 -2.0918 -2.0918 -2.0041 -2.0041 -1.0355 -1.0355 -0.7512 -0.7512 -0.5778 -0.5778 -0.5712 -0.5712 -0.2715 -0.2715 -0.0944 -0.0944 -0.0591 -0.0591 0.0611 0.0611 0.0648 0.0648 0.7204 0.7204 0.8835 0.8835 1.2748 1.2748 4.0352 4.0352 4.0517 4.0517 10.1715 10.1715 11.8771 11.8771 15.2323 15.2323 15.6907 15.6907 k = 0.5157 0.2499 0.1501 ( 11812 PWs) bands (ev): -40.6423 -40.6423 -20.5401 -20.5401 -20.1057 -20.1057 -20.1051 -20.1051 -19.9358 -19.9358 -19.7032 -19.7032 -19.6320 -19.6320 -6.0642 -6.0642 -5.9758 -5.9758 -4.7617 -4.7617 -4.7167 -4.7167 -4.2599 -4.2599 -3.9781 -3.9781 -2.4686 -2.4686 -2.0929 -2.0929 -2.0047 -2.0047 -1.0377 -1.0377 -0.7512 -0.7512 -0.5733 -0.5733 -0.5703 -0.5703 -0.2770 -0.2770 -0.0830 -0.0830 -0.0514 -0.0514 0.0577 0.0577 0.0615 0.0615 0.7151 0.7151 0.8834 0.8834 1.2733 1.2733 4.0354 4.0354 4.0521 4.0521 10.1623 10.1623 11.8684 11.8684 15.2686 15.2686 15.7497 15.7497 k = 0.5078 0.2554 0.1642 ( 11812 PWs) bands (ev): -40.6423 -40.6423 -20.5407 -20.5407 -20.1052 -20.1052 -20.1050 -20.1050 -19.9366 -19.9366 -19.7028 -19.7028 -19.6315 -19.6315 -6.0645 -6.0645 -5.9756 -5.9756 -4.7618 -4.7618 -4.7170 -4.7170 -4.2596 -4.2596 -3.9777 -3.9777 -2.4693 -2.4693 -2.0936 -2.0936 -2.0051 -2.0051 -1.0390 -1.0390 -0.7511 -0.7511 -0.5706 -0.5706 -0.5697 -0.5697 -0.2804 -0.2804 -0.0765 -0.0765 -0.0457 -0.0457 0.0555 0.0555 0.0592 0.0592 0.7118 0.7118 0.8834 0.8834 1.2723 1.2723 4.0355 4.0355 4.0523 4.0523 10.1568 10.1568 11.8632 11.8632 15.2903 15.2903 15.8120 15.8120 k = 0.5000 0.2609 0.1782 ( 11788 PWs) bands (ev): -40.6423 -40.6423 -20.5409 -20.5409 -20.1051 -20.1051 -20.1050 -20.1050 -19.9368 -19.9368 -19.7026 -19.7026 -19.6313 -19.6313 -6.0646 -6.0646 -5.9755 -5.9755 -4.7619 -4.7619 -4.7171 -4.7171 -4.2596 -4.2596 -3.9776 -3.9776 -2.4695 -2.4695 -2.0938 -2.0938 -2.0052 -2.0052 -1.0394 -1.0394 -0.7511 -0.7511 -0.5699 -0.5699 -0.5693 -0.5693 -0.2816 -0.2816 -0.0744 -0.0744 -0.0436 -0.0436 0.0546 0.0546 0.0584 0.0584 0.7107 0.7107 0.8834 0.8834 1.2720 1.2720 4.0356 4.0356 4.0523 4.0523 10.1549 10.1549 11.8615 11.8615 15.2975 15.2975 15.8686 15.8686 k = 0.5000 0.2609 0.1782 ( 11788 PWs) bands (ev): -40.6423 -40.6423 -20.5409 -20.5409 -20.1051 -20.1051 -20.1050 -20.1050 -19.9368 -19.9368 -19.7026 -19.7026 -19.6313 -19.6313 -6.0646 -6.0646 -5.9755 -5.9755 -4.7619 -4.7619 -4.7171 -4.7171 -4.2596 -4.2596 -3.9776 -3.9776 -2.4695 -2.4695 -2.0938 -2.0938 -2.0052 -2.0052 -1.0394 -1.0394 -0.7511 -0.7511 -0.5699 -0.5699 -0.5693 -0.5693 -0.2816 -0.2816 -0.0744 -0.0744 -0.0436 -0.0436 0.0546 0.0546 0.0584 0.0584 0.7107 0.7107 0.8834 0.8834 1.2720 1.2720 4.0356 4.0356 4.0523 4.0523 10.1549 10.1549 11.8615 11.8615 15.2975 15.2975 15.8686 15.8686 k = 0.4857 0.2534 0.1731 ( 11791 PWs) bands (ev): -40.6423 -40.6423 -20.5413 -20.5413 -20.1051 -20.1051 -20.1050 -20.1050 -19.9364 -19.9364 -19.7026 -19.7026 -19.6313 -19.6313 -6.0644 -6.0644 -5.9753 -5.9753 -4.7620 -4.7620 -4.7171 -4.7171 -4.2597 -4.2597 -3.9787 -3.9787 -2.4696 -2.4696 -2.0939 -2.0939 -2.0058 -2.0058 -1.0381 -1.0381 -0.7513 -0.7513 -0.5697 -0.5697 -0.5691 -0.5691 -0.2815 -0.2815 -0.0744 -0.0744 -0.0436 -0.0436 0.0552 0.0552 0.0590 0.0590 0.7105 0.7105 0.8832 0.8832 1.2718 1.2718 4.0359 4.0359 4.0526 4.0526 10.1489 10.1489 11.8680 11.8680 15.2977 15.2977 15.8543 15.8543 k = 0.4714 0.2460 0.1680 ( 11797 PWs) bands (ev): -40.6423 -40.6423 -20.5424 -20.5424 -20.1051 -20.1051 -20.1050 -20.1050 -19.9353 -19.9353 -19.7025 -19.7025 -19.6313 -19.6313 -6.0638 -6.0638 -5.9748 -5.9748 -4.7623 -4.7623 -4.7172 -4.7172 -4.2603 -4.2603 -3.9818 -3.9818 -2.4699 -2.4699 -2.0939 -2.0939 -2.0077 -2.0077 -1.0342 -1.0342 -0.7517 -0.7517 -0.5692 -0.5692 -0.5686 -0.5686 -0.2812 -0.2812 -0.0744 -0.0744 -0.0436 -0.0436 0.0567 0.0567 0.0605 0.0605 0.7099 0.7099 0.8824 0.8824 1.2711 1.2711 4.0369 4.0369 4.0535 4.0535 10.1313 10.1313 11.8873 11.8873 15.2983 15.2983 15.8292 15.8292 k = 0.4571 0.2385 0.1629 ( 11821 PWs) bands (ev): -40.6423 -40.6423 -20.5442 -20.5442 -20.1051 -20.1051 -20.1050 -20.1050 -19.9333 -19.9333 -19.7023 -19.7023 -19.6313 -19.6313 -6.0628 -6.0628 -5.9739 -5.9739 -4.7628 -4.7628 -4.7174 -4.7174 -4.2612 -4.2612 -3.9869 -3.9869 -2.4704 -2.4704 -2.0939 -2.0939 -2.0107 -2.0107 -1.0277 -1.0277 -0.7523 -0.7523 -0.5684 -0.5684 -0.5676 -0.5676 -0.2806 -0.2806 -0.0744 -0.0744 -0.0435 -0.0435 0.0592 0.0592 0.0631 0.0631 0.7088 0.7088 0.8811 0.8811 1.2700 1.2700 4.0385 4.0385 4.0548 4.0548 10.1028 10.1028 11.9185 11.9185 15.2993 15.2993 15.8028 15.8028 k = 0.4429 0.2311 0.1578 ( 11818 PWs) bands (ev): -40.6423 -40.6423 -20.5468 -20.5468 -20.1050 -20.1050 -20.1050 -20.1050 -19.9307 -19.9307 -19.7021 -19.7021 -19.6314 -19.6314 -6.0614 -6.0614 -5.9727 -5.9727 -4.7635 -4.7635 -4.7177 -4.7177 -4.2624 -4.2624 -3.9940 -3.9940 -2.4713 -2.4713 -2.0940 -2.0940 -2.0151 -2.0151 -1.0188 -1.0188 -0.7531 -0.7531 -0.5671 -0.5671 -0.5662 -0.5662 -0.2799 -0.2799 -0.0743 -0.0743 -0.0433 -0.0433 0.0626 0.0626 0.0666 0.0666 0.7074 0.7074 0.8792 0.8792 1.2684 1.2684 4.0408 4.0408 4.0567 4.0567 10.0647 10.0647 11.9604 11.9604 15.3007 15.3007 15.7766 15.7766 k = 0.4286 0.2236 0.1527 ( 11836 PWs) bands (ev): -40.6423 -40.6423 -20.5500 -20.5500 -20.1050 -20.1050 -20.1050 -20.1050 -19.9273 -19.9273 -19.7018 -19.7018 -19.6314 -19.6314 -6.0596 -6.0596 -5.9712 -5.9712 -4.7643 -4.7643 -4.7180 -4.7180 -4.2639 -4.2639 -4.0028 -4.0028 -2.4725 -2.4725 -2.0942 -2.0942 -2.0206 -2.0206 -1.0075 -1.0075 -0.7539 -0.7539 -0.5653 -0.5653 -0.5642 -0.5642 -0.2791 -0.2791 -0.0742 -0.0742 -0.0430 -0.0430 0.0668 0.0668 0.0709 0.0709 0.7055 0.7055 0.8769 0.8769 1.2664 1.2664 4.0436 4.0436 4.0592 4.0592 10.0183 10.0183 12.0116 12.0116 15.3024 15.3024 15.7508 15.7508 k = 0.4143 0.2162 0.1476 ( 11818 PWs) bands (ev): -40.6423 -40.6423 -20.5538 -20.5538 -20.1050 -20.1050 -20.1049 -20.1049 -19.9233 -19.9233 -19.7015 -19.7015 -19.6314 -19.6314 -6.0575 -6.0575 -5.9693 -5.9693 -4.7653 -4.7653 -4.7185 -4.7185 -4.2657 -4.2657 -4.0132 -4.0132 -2.4743 -2.4743 -2.0944 -2.0944 -2.0274 -2.0274 -0.9941 -0.9941 -0.7546 -0.7546 -0.5629 -0.5629 -0.5616 -0.5616 -0.2780 -0.2780 -0.0739 -0.0739 -0.0426 -0.0426 0.0716 0.0716 0.0758 0.0758 0.7032 0.7032 0.8740 0.8740 1.2639 1.2639 4.0471 4.0471 4.0621 4.0621 9.9652 9.9652 12.0707 12.0707 15.3046 15.3046 15.7258 15.7258 k = 0.4000 0.2087 0.1425 ( 11791 PWs) bands (ev): -40.6423 -40.6423 -20.5582 -20.5582 -20.1050 -20.1050 -20.1049 -20.1049 -19.9188 -19.9188 -19.7010 -19.7010 -19.6314 -19.6314 -6.0550 -6.0550 -5.9671 -5.9671 -4.7665 -4.7665 -4.7191 -4.7191 -4.2678 -4.2678 -4.0251 -4.0251 -2.4766 -2.4766 -2.0947 -2.0947 -2.0354 -2.0354 -0.9789 -0.9789 -0.7549 -0.7549 -0.5599 -0.5599 -0.5584 -0.5584 -0.2768 -0.2768 -0.0735 -0.0735 -0.0420 -0.0420 0.0770 0.0770 0.0812 0.0812 0.7005 0.7005 0.8707 0.8707 1.2610 1.2610 4.0512 4.0512 4.0656 4.0656 9.9066 9.9066 12.1364 12.1364 15.3071 15.3071 15.7014 15.7014 k = 0.3857 0.2012 0.1374 ( 11791 PWs) bands (ev): -40.6423 -40.6423 -20.5631 -20.5631 -20.1050 -20.1050 -20.1049 -20.1049 -19.9137 -19.9137 -19.7005 -19.7005 -19.6315 -19.6315 -6.0521 -6.0521 -5.9647 -5.9647 -4.7677 -4.7677 -4.7198 -4.7198 -4.2700 -4.2700 -4.0382 -4.0382 -2.4796 -2.4796 -2.0951 -2.0951 -2.0446 -2.0446 -0.9622 -0.9622 -0.7544 -0.7544 -0.5560 -0.5560 -0.5543 -0.5543 -0.2755 -0.2755 -0.0729 -0.0729 -0.0413 -0.0413 0.0826 0.0826 0.0870 0.0870 0.6973 0.6973 0.8669 0.8669 1.2576 1.2576 4.0557 4.0557 4.0695 4.0695 9.8439 9.8439 12.2073 12.2073 15.3099 15.3099 15.6778 15.6778 k = 0.3714 0.1938 0.1324 ( 11779 PWs) bands (ev): -40.6423 -40.6423 -20.5684 -20.5684 -20.1050 -20.1050 -20.1049 -20.1049 -19.9083 -19.9083 -19.6999 -19.6999 -19.6315 -19.6315 -6.0490 -6.0490 -5.9620 -5.9620 -4.7690 -4.7690 -4.7207 -4.7207 -4.2725 -4.2725 -4.0523 -4.0523 -2.4834 -2.4834 -2.0957 -2.0957 -2.0549 -2.0549 -0.9447 -0.9447 -0.7526 -0.7526 -0.5513 -0.5513 -0.5493 -0.5493 -0.2740 -0.2740 -0.0722 -0.0722 -0.0404 -0.0404 0.0886 0.0886 0.0930 0.0930 0.6936 0.6936 0.8626 0.8626 1.2538 1.2538 4.0608 4.0608 4.0738 4.0738 9.7781 9.7781 12.2826 12.2826 15.3131 15.3131 15.6550 15.6550 k = 0.3571 0.1863 0.1273 ( 11770 PWs) bands (ev): -40.6423 -40.6423 -20.5741 -20.5741 -20.1049 -20.1049 -20.1049 -20.1049 -19.9024 -19.9024 -19.6993 -19.6993 -19.6316 -19.6316 -6.0456 -6.0456 -5.9591 -5.9591 -4.7703 -4.7703 -4.7218 -4.7218 -4.2752 -4.2752 -4.0672 -4.0672 -2.4881 -2.4881 -2.0963 -2.0963 -2.0663 -2.0663 -0.9271 -0.9271 -0.7489 -0.7489 -0.5456 -0.5456 -0.5433 -0.5433 -0.2725 -0.2725 -0.0713 -0.0713 -0.0393 -0.0393 0.0945 0.0945 0.0990 0.0990 0.6895 0.6895 0.8579 0.8579 1.2495 1.2495 4.0664 4.0664 4.0786 4.0786 9.7101 9.7101 12.3611 12.3611 15.3166 15.3166 15.6328 15.6328 k = 0.3429 0.1789 0.1222 ( 11764 PWs) bands (ev): -40.6423 -40.6423 -20.5801 -20.5801 -20.1049 -20.1049 -20.1048 -20.1048 -19.8963 -19.8963 -19.6985 -19.6985 -19.6316 -19.6316 -6.0419 -6.0419 -5.9560 -5.9560 -4.7717 -4.7717 -4.7232 -4.7232 -4.2780 -4.2780 -4.0826 -4.0826 -2.4937 -2.4937 -2.0972 -2.0972 -2.0788 -2.0788 -0.9104 -0.9104 -0.7423 -0.7423 -0.5388 -0.5388 -0.5363 -0.5363 -0.2708 -0.2708 -0.0701 -0.0701 -0.0380 -0.0380 0.1005 0.1005 0.1050 0.1050 0.6848 0.6848 0.8527 0.8527 1.2448 1.2448 4.0724 4.0724 4.0837 4.0837 9.6407 9.6407 12.4422 12.4422 15.3203 15.3203 15.6115 15.6115 k = 0.3286 0.1714 0.1171 ( 11770 PWs) bands (ev): -40.6423 -40.6423 -20.5863 -20.5863 -20.1049 -20.1049 -20.1048 -20.1048 -19.8900 -19.8900 -19.6977 -19.6977 -19.6317 -19.6317 -6.0381 -6.0381 -5.9527 -5.9527 -4.7730 -4.7730 -4.7247 -4.7247 -4.2809 -4.2809 -4.0984 -4.0984 -2.5003 -2.5003 -2.0982 -2.0982 -2.0923 -2.0923 -0.8958 -0.8958 -0.7319 -0.7319 -0.5310 -0.5310 -0.5283 -0.5283 -0.2690 -0.2690 -0.0687 -0.0687 -0.0366 -0.0366 0.1062 0.1062 0.1109 0.1109 0.6797 0.6797 0.8471 0.8471 1.2397 1.2397 4.0787 4.0787 4.0892 4.0892 9.5706 9.5706 12.5252 12.5252 15.3244 15.3244 15.5908 15.5908 k = 0.3143 0.1640 0.1120 ( 11782 PWs) bands (ev): -40.6423 -40.6423 -20.5927 -20.5927 -20.1049 -20.1049 -20.1048 -20.1048 -19.8835 -19.8835 -19.6967 -19.6967 -19.6317 -19.6317 -6.0340 -6.0340 -5.9493 -5.9493 -4.7743 -4.7743 -4.7265 -4.7265 -4.2840 -4.2840 -4.1142 -4.1142 -2.5078 -2.5078 -2.1067 -2.1067 -2.0994 -2.0994 -0.8841 -0.8841 -0.7170 -0.7170 -0.5221 -0.5221 -0.5192 -0.5192 -0.2671 -0.2671 -0.0672 -0.0672 -0.0350 -0.0350 0.1117 0.1117 0.1164 0.1164 0.6739 0.6739 0.8412 0.8412 1.2342 1.2342 4.0854 4.0854 4.0950 4.0950 9.5004 9.5004 12.6095 12.6095 15.3286 15.3286 15.5710 15.5710 k = 0.3000 0.1565 0.1069 ( 11800 PWs) bands (ev): -40.6423 -40.6423 -20.5992 -20.5992 -20.1048 -20.1048 -20.1047 -20.1047 -19.8770 -19.8770 -19.6957 -19.6957 -19.6318 -19.6318 -6.0298 -6.0298 -5.9457 -5.9457 -4.7756 -4.7756 -4.7286 -4.7286 -4.2871 -4.2871 -4.1298 -4.1298 -2.5163 -2.5163 -2.1219 -2.1219 -2.1007 -2.1007 -0.8758 -0.8758 -0.6973 -0.6973 -0.5121 -0.5121 -0.5090 -0.5090 -0.2650 -0.2650 -0.0654 -0.0654 -0.0332 -0.0332 0.1168 0.1168 0.1215 0.1215 0.6677 0.6677 0.8349 0.8349 1.2283 1.2283 4.0924 4.0924 4.1010 4.1010 9.4306 9.4306 12.6946 12.6946 15.3330 15.3330 15.5520 15.5520 k = 0.2857 0.1491 0.1018 ( 11800 PWs) bands (ev): -40.6423 -40.6423 -20.6058 -20.6058 -20.1048 -20.1048 -20.1047 -20.1047 -19.8705 -19.8705 -19.6946 -19.6946 -19.6319 -19.6319 -6.0255 -6.0255 -5.9421 -5.9421 -4.7767 -4.7767 -4.7310 -4.7310 -4.2904 -4.2904 -4.1450 -4.1450 -2.5256 -2.5256 -2.1377 -2.1377 -2.1022 -2.1022 -0.8706 -0.8706 -0.6733 -0.6733 -0.5010 -0.5010 -0.4977 -0.4977 -0.2627 -0.2627 -0.0634 -0.0634 -0.0312 -0.0312 0.1213 0.1213 0.1260 0.1260 0.6608 0.6608 0.8283 0.8283 1.2220 1.2220 4.0995 4.0995 4.1072 4.1072 9.3616 9.3616 12.7800 12.7800 15.3376 15.3376 15.5337 15.5337 k = 0.2714 0.1416 0.0967 ( 11800 PWs) bands (ev): -40.6423 -40.6423 -20.6124 -20.6124 -20.1048 -20.1048 -20.1047 -20.1047 -19.8640 -19.8640 -19.6933 -19.6933 -19.6319 -19.6319 -6.0211 -6.0211 -5.9385 -5.9385 -4.7777 -4.7777 -4.7336 -4.7336 -4.2939 -4.2939 -4.1597 -4.1597 -2.5358 -2.5358 -2.1542 -2.1542 -2.1038 -2.1038 -0.8678 -0.8678 -0.6459 -0.6459 -0.4889 -0.4889 -0.4854 -0.4854 -0.2601 -0.2601 -0.0611 -0.0611 -0.0292 -0.0292 0.1253 0.1253 0.1300 0.1300 0.6534 0.6534 0.8214 0.8214 1.2154 1.2154 4.1069 4.1069 4.1136 4.1136 9.2938 9.2938 12.8654 12.8654 15.3422 15.3422 15.5163 15.5163 k = 0.2571 0.1342 0.0916 ( 11800 PWs) bands (ev): -40.6423 -40.6423 -20.6190 -20.6190 -20.1047 -20.1047 -20.1046 -20.1046 -19.8577 -19.8577 -19.6920 -19.6920 -19.6320 -19.6320 -6.0167 -6.0167 -5.9349 -5.9349 -4.7786 -4.7786 -4.7365 -4.7365 -4.2976 -4.2976 -4.1734 -4.1734 -2.5467 -2.5467 -2.1710 -2.1710 -2.1056 -2.1056 -0.8667 -0.8667 -0.6161 -0.6161 -0.4757 -0.4757 -0.4721 -0.4721 -0.2571 -0.2571 -0.0587 -0.0587 -0.0269 -0.0269 0.1286 0.1286 0.1334 0.1334 0.6454 0.6454 0.8143 0.8143 1.2085 1.2085 4.1143 4.1143 4.1201 4.1201 9.2275 9.2275 12.9503 12.9503 15.3468 15.3468 15.4997 15.4997 k = 0.2429 0.1267 0.0865 ( 11806 PWs) bands (ev): -40.6423 -40.6423 -20.6254 -20.6254 -20.1047 -20.1047 -20.1046 -20.1046 -19.8516 -19.8516 -19.6906 -19.6906 -19.6320 -19.6320 -6.0123 -6.0123 -5.9313 -5.9313 -4.7793 -4.7793 -4.7397 -4.7397 -4.3015 -4.3015 -4.1862 -4.1862 -2.5583 -2.5583 -2.1882 -2.1882 -2.1076 -2.1076 -0.8669 -0.8669 -0.5847 -0.5847 -0.4617 -0.4617 -0.4580 -0.4580 -0.2535 -0.2535 -0.0560 -0.0560 -0.0246 -0.0246 0.1312 0.1312 0.1360 0.1360 0.6368 0.6368 0.8070 0.8070 1.2014 1.2014 4.1218 4.1218 4.1266 4.1266 9.1632 9.1632 13.0343 13.0343 15.3514 15.3514 15.4840 15.4840 k = 0.2286 0.1193 0.0814 ( 11815 PWs) bands (ev): -40.6423 -40.6423 -20.6317 -20.6317 -20.1047 -20.1047 -20.1046 -20.1046 -19.8457 -19.8457 -19.6891 -19.6891 -19.6321 -19.6321 -6.0079 -6.0079 -5.9277 -5.9277 -4.7799 -4.7799 -4.7431 -4.7431 -4.3057 -4.3057 -4.1977 -4.1977 -2.5704 -2.5704 -2.2055 -2.2055 -2.1096 -2.1096 -0.8679 -0.8679 -0.5528 -0.5528 -0.4469 -0.4469 -0.4432 -0.4432 -0.2492 -0.2492 -0.0531 -0.0531 -0.0221 -0.0221 0.1330 0.1330 0.1378 0.1378 0.6275 0.6275 0.7997 0.7997 1.1940 1.1940 4.1293 4.1293 4.1332 4.1332 9.1010 9.1010 13.1171 13.1171 15.3557 15.3557 15.4693 15.4693 k = 0.2143 0.1118 0.0764 ( 11818 PWs) bands (ev): -40.6423 -40.6423 -20.6378 -20.6378 -20.1046 -20.1046 -20.1045 -20.1045 -19.8401 -19.8401 -19.6875 -19.6875 -19.6322 -19.6322 -6.0036 -6.0036 -5.9243 -5.9243 -4.7803 -4.7803 -4.7468 -4.7468 -4.3103 -4.3103 -4.2079 -4.2079 -2.5828 -2.5828 -2.2228 -2.2228 -2.1117 -2.1117 -0.8695 -0.8695 -0.5210 -0.5210 -0.4313 -0.4313 -0.4277 -0.4277 -0.2437 -0.2437 -0.0500 -0.0500 -0.0194 -0.0194 0.1340 0.1340 0.1388 0.1388 0.6177 0.6177 0.7923 0.7923 1.1865 1.1865 4.1367 4.1367 4.1397 4.1397 9.0413 9.0413 13.1984 13.1984 15.3598 15.3598 15.4556 15.4556 k = 0.2000 0.1044 0.0713 ( 11812 PWs) bands (ev): -40.6423 -40.6423 -20.6437 -20.6437 -20.1046 -20.1046 -20.1045 -20.1045 -19.8348 -19.8348 -19.6859 -19.6859 -19.6322 -19.6322 -5.9994 -5.9994 -5.9209 -5.9209 -4.7805 -4.7805 -4.7506 -4.7506 -4.3152 -4.3152 -4.2167 -4.2167 -2.5954 -2.5954 -2.2399 -2.2399 -2.1139 -2.1139 -0.8713 -0.8713 -0.4902 -0.4902 -0.4153 -0.4153 -0.4118 -0.4118 -0.2367 -0.2367 -0.0466 -0.0466 -0.0167 -0.0167 0.1341 0.1341 0.1389 0.1389 0.6072 0.6072 0.7848 0.7848 1.1789 1.1789 4.1440 4.1440 4.1461 4.1461 8.9842 8.9842 13.2776 13.2776 15.3635 15.3635 15.4429 15.4429 k = 0.1857 0.0969 0.0662 ( 11803 PWs) bands (ev): -40.6423 -40.6423 -20.6493 -20.6493 -20.1046 -20.1046 -20.1045 -20.1045 -19.8298 -19.8298 -19.6842 -19.6842 -19.6323 -19.6323 -5.9953 -5.9953 -5.9177 -5.9177 -4.7806 -4.7806 -4.7546 -4.7546 -4.3205 -4.3205 -4.2240 -4.2240 -2.6081 -2.6081 -2.2567 -2.2567 -2.1161 -2.1161 -0.8732 -0.8732 -0.4613 -0.4613 -0.3988 -0.3988 -0.3958 -0.3958 -0.2277 -0.2277 -0.0429 -0.0429 -0.0138 -0.0138 0.1333 0.1333 0.1382 0.1382 0.5961 0.5961 0.7775 0.7775 1.1712 1.1712 4.1510 4.1510 4.1523 4.1523 8.9301 8.9301 13.3545 13.3545 15.3667 15.3667 15.4314 15.4314 k = 0.1714 0.0894 0.0611 ( 11800 PWs) bands (ev): -40.6423 -40.6423 -20.6547 -20.6547 -20.1045 -20.1045 -20.1044 -20.1044 -19.8252 -19.8252 -19.6825 -19.6825 -19.6323 -19.6323 -5.9914 -5.9914 -5.9146 -5.9146 -4.7805 -4.7805 -4.7586 -4.7586 -4.3259 -4.3259 -4.2300 -4.2300 -2.6207 -2.6207 -2.2729 -2.2729 -2.1183 -2.1183 -0.8752 -0.8752 -0.4348 -0.4348 -0.3821 -0.3821 -0.3799 -0.3799 -0.2162 -0.2162 -0.0389 -0.0389 -0.0107 -0.0107 0.1316 0.1316 0.1366 0.1366 0.5845 0.5845 0.7704 0.7704 1.1636 1.1636 4.1578 4.1578 4.1584 4.1584 8.8791 8.8791 13.4287 13.4287 15.3691 15.3691 15.4212 15.4212 k = 0.1571 0.0820 0.0560 ( 11812 PWs) bands (ev): -40.6423 -40.6423 -20.6597 -20.6597 -20.1045 -20.1045 -20.1044 -20.1044 -19.8210 -19.8210 -19.6808 -19.6808 -19.6324 -19.6324 -5.9877 -5.9877 -5.9117 -5.9117 -4.7804 -4.7804 -4.7626 -4.7626 -4.3314 -4.3314 -4.2348 -4.2348 -2.6330 -2.6330 -2.2886 -2.2886 -2.1205 -2.1205 -0.8772 -0.8772 -0.4115 -0.4115 -0.3654 -0.3654 -0.3646 -0.3646 -0.2017 -0.2017 -0.0347 -0.0347 -0.0075 -0.0075 0.1290 0.1290 0.1341 0.1341 0.5724 0.5724 0.7634 0.7634 1.1561 1.1561 4.1641 4.1641 4.1643 4.1643 8.8314 8.8314 13.4996 13.4996 15.3707 15.3707 15.4124 15.4124 k = 0.1429 0.0745 0.0509 ( 11824 PWs) bands (ev): -40.6423 -40.6423 -20.6643 -20.6643 -20.1045 -20.1045 -20.1044 -20.1044 -19.8171 -19.8171 -19.6791 -19.6791 -19.6324 -19.6324 -5.9843 -5.9843 -5.9090 -5.9090 -4.7801 -4.7801 -4.7667 -4.7667 -4.3369 -4.3369 -4.2385 -4.2385 -2.6448 -2.6448 -2.3035 -2.3035 -2.1226 -2.1226 -0.8790 -0.8790 -0.3917 -0.3917 -0.3501 -0.3501 -0.3489 -0.3489 -0.1841 -0.1841 -0.0300 -0.0300 -0.0041 -0.0041 0.1255 0.1255 0.1307 0.1307 0.5599 0.5599 0.7568 0.7568 1.1489 1.1489 4.1696 4.1696 4.1705 4.1705 8.7872 8.7872 13.5668 13.5668 15.3712 15.3712 15.4052 15.4052 k = 0.1286 0.0671 0.0458 ( 11830 PWs) bands (ev): -40.6423 -40.6423 -20.6686 -20.6686 -20.1045 -20.1045 -20.1043 -20.1043 -19.8137 -19.8137 -19.6774 -19.6774 -19.6325 -19.6325 -5.9810 -5.9810 -5.9066 -5.9066 -4.7797 -4.7797 -4.7705 -4.7705 -4.3421 -4.3421 -4.2414 -4.2414 -2.6561 -2.6561 -2.3174 -2.3174 -2.1247 -2.1247 -0.8808 -0.8808 -0.3754 -0.3754 -0.3367 -0.3367 -0.3328 -0.3328 -0.1638 -0.1638 -0.0250 -0.0250 -0.0005 -0.0005 0.1211 0.1211 0.1266 0.1266 0.5471 0.5471 0.7505 0.7505 1.1419 1.1419 4.1747 4.1747 4.1762 4.1762 8.7468 8.7468 13.6299 13.6299 15.3705 15.3705 15.3996 15.3996 k = 0.1143 0.0596 0.0407 ( 11839 PWs) bands (ev): -40.6423 -40.6423 -20.6725 -20.6725 -20.1044 -20.1044 -20.1043 -20.1043 -19.8106 -19.8106 -19.6758 -19.6758 -19.6325 -19.6325 -5.9781 -5.9781 -5.9043 -5.9043 -4.7793 -4.7793 -4.7743 -4.7743 -4.3470 -4.3470 -4.2435 -4.2435 -2.6666 -2.6666 -2.3302 -2.3302 -2.1266 -2.1266 -0.8824 -0.8824 -0.3626 -0.3626 -0.3241 -0.3241 -0.3173 -0.3173 -0.1416 -0.1416 -0.0196 -0.0196 0.0034 0.0034 0.1160 0.1160 0.1216 0.1216 0.5342 0.5342 0.7447 0.7447 1.1354 1.1354 4.1794 4.1794 4.1814 4.1814 8.7101 8.7101 13.6884 13.6884 15.3688 15.3688 15.3955 15.3955 k = 0.1000 0.0522 0.0356 ( 11833 PWs) bands (ev): -40.6423 -40.6423 -20.6760 -20.6760 -20.1044 -20.1044 -20.1043 -20.1043 -19.8079 -19.8079 -19.6743 -19.6743 -19.6326 -19.6326 -5.9755 -5.9755 -5.9023 -5.9023 -4.7788 -4.7788 -4.7777 -4.7777 -4.3515 -4.3515 -4.2450 -4.2450 -2.6763 -2.6763 -2.3419 -2.3419 -2.1284 -2.1284 -0.8838 -0.8838 -0.3529 -0.3529 -0.3123 -0.3123 -0.3028 -0.3028 -0.1186 -0.1186 -0.0137 -0.0137 0.0076 0.0076 0.1101 0.1101 0.1160 0.1160 0.5214 0.5214 0.7393 0.7393 1.1294 1.1294 4.1836 4.1836 4.1862 4.1862 8.6774 8.6774 13.7417 13.7417 15.3666 15.3666 15.3924 15.3924 k = 0.0857 0.0447 0.0305 ( 11848 PWs) bands (ev): -40.6423 -40.6423 -20.6791 -20.6791 -20.1044 -20.1044 -20.1043 -20.1043 -19.8056 -19.8056 -19.6729 -19.6729 -19.6326 -19.6326 -5.9732 -5.9732 -5.9006 -5.9006 -4.7809 -4.7809 -4.7784 -4.7784 -4.3554 -4.3554 -4.2462 -4.2462 -2.6850 -2.6850 -2.3522 -2.3522 -2.1300 -2.1300 -0.8850 -0.8850 -0.3457 -0.3457 -0.3014 -0.3014 -0.2894 -0.2894 -0.0960 -0.0960 -0.0074 -0.0074 0.0120 0.0120 0.1037 0.1037 0.1098 0.1098 0.5089 0.5089 0.7346 0.7346 1.1239 1.1239 4.1874 4.1874 4.1904 4.1904 8.6488 8.6488 13.7893 13.7893 15.3644 15.3644 15.3897 15.3897 k = 0.0714 0.0373 0.0255 ( 11851 PWs) bands (ev): -40.6423 -40.6423 -20.6817 -20.6817 -20.1044 -20.1044 -20.1043 -20.1043 -19.8037 -19.8037 -19.6717 -19.6717 -19.6326 -19.6326 -5.9712 -5.9712 -5.8991 -5.8991 -4.7836 -4.7836 -4.7779 -4.7779 -4.3589 -4.3589 -4.2469 -4.2469 -2.6925 -2.6925 -2.3612 -2.3612 -2.1314 -2.1314 -0.8861 -0.8861 -0.3406 -0.3406 -0.2916 -0.2916 -0.2774 -0.2774 -0.0748 -0.0748 -0.0007 -0.0007 0.0168 0.0168 0.0969 0.0969 0.1031 0.1031 0.4972 0.4972 0.7305 0.7305 1.1191 1.1191 4.1906 4.1906 4.1940 4.1940 8.6245 8.6245 13.8306 13.8306 15.3626 15.3626 15.3873 15.3873 k = 0.0571 0.0298 0.0204 ( 11863 PWs) bands (ev): -40.6423 -40.6423 -20.6838 -20.6838 -20.1044 -20.1044 -20.1043 -20.1043 -19.8022 -19.8022 -19.6707 -19.6707 -19.6327 -19.6327 -5.9695 -5.9695 -5.8978 -5.8978 -4.7860 -4.7860 -4.7775 -4.7775 -4.3617 -4.3617 -4.2475 -4.2475 -2.6988 -2.6988 -2.3686 -2.3686 -2.1325 -2.1325 -0.8869 -0.8869 -0.3370 -0.3370 -0.2833 -0.2833 -0.2672 -0.2672 -0.0560 -0.0560 0.0064 0.0064 0.0218 0.0218 0.0898 0.0898 0.0961 0.0961 0.4865 0.4865 0.7271 0.7271 1.1151 1.1151 4.1933 4.1933 4.1970 4.1970 8.6044 8.6044 13.8653 13.8653 15.3614 15.3614 15.3849 15.3849 k = 0.0429 0.0224 0.0153 ( 11862 PWs) bands (ev): -40.6423 -40.6423 -20.6855 -20.6855 -20.1044 -20.1044 -20.1042 -20.1042 -19.8010 -19.8010 -19.6699 -19.6699 -19.6327 -19.6327 -5.9682 -5.9682 -5.8969 -5.8969 -4.7879 -4.7879 -4.7772 -4.7772 -4.3639 -4.3639 -4.2478 -4.2478 -2.7038 -2.7038 -2.3745 -2.3745 -2.1335 -2.1335 -0.8876 -0.8876 -0.3345 -0.3345 -0.2765 -0.2765 -0.2589 -0.2589 -0.0406 -0.0406 0.0136 0.0136 0.0270 0.0270 0.0828 0.0828 0.0893 0.0893 0.4775 0.4775 0.7243 0.7243 1.1119 1.1119 4.1954 4.1954 4.1993 4.1993 8.5887 8.5887 13.8927 13.8927 15.3608 15.3608 15.3826 15.3826 k = 0.0286 0.0149 0.0102 ( 11883 PWs) bands (ev): -40.6423 -40.6423 -20.6867 -20.6867 -20.1044 -20.1044 -20.1042 -20.1042 -19.8001 -19.8001 -19.6693 -19.6693 -19.6327 -19.6327 -5.9673 -5.9673 -5.8962 -5.8962 -4.7892 -4.7892 -4.7769 -4.7769 -4.3654 -4.3654 -4.2480 -4.2480 -2.7074 -2.7074 -2.3787 -2.3787 -2.1342 -2.1342 -0.8881 -0.8881 -0.3329 -0.3329 -0.2716 -0.2716 -0.2529 -0.2529 -0.0293 -0.0293 0.0204 0.0204 0.0320 0.0320 0.0764 0.0764 0.0831 0.0831 0.4706 0.4706 0.7224 0.7224 1.1096 1.1096 4.1970 4.1970 4.2010 4.2010 8.5774 8.5774 13.9126 13.9126 15.3606 15.3606 15.3806 15.3806 k = 0.0143 0.0075 0.0051 ( 11865 PWs) bands (ev): -40.6423 -40.6423 -20.6874 -20.6874 -20.1044 -20.1044 -20.1042 -20.1042 -19.7996 -19.7996 -19.6690 -19.6690 -19.6327 -19.6327 -5.9667 -5.9667 -5.8958 -5.8958 -4.7900 -4.7900 -4.7768 -4.7768 -4.3664 -4.3664 -4.2481 -4.2481 -2.7096 -2.7096 -2.3812 -2.3812 -2.1346 -2.1346 -0.8884 -0.8884 -0.3319 -0.3319 -0.2686 -0.2686 -0.2491 -0.2491 -0.0224 -0.0224 0.0255 0.0255 0.0360 0.0360 0.0715 0.0715 0.0784 0.0784 0.4663 0.4663 0.7212 0.7212 1.1082 1.1082 4.1979 4.1979 4.2021 4.2021 8.5707 8.5707 13.9247 13.9247 15.3607 15.3607 15.3792 15.3792 k = 0.0000 0.0000 0.0000 ( 11847 PWs) bands (ev): -40.6423 -40.6423 -20.6877 -20.6877 -20.1044 -20.1044 -20.1042 -20.1042 -19.7994 -19.7994 -19.6688 -19.6688 -19.6327 -19.6327 -5.9666 -5.9666 -5.8956 -5.8956 -4.7903 -4.7903 -4.7767 -4.7767 -4.3667 -4.3667 -4.2481 -4.2481 -2.7103 -2.7103 -2.3821 -2.3821 -2.1347 -2.1347 -0.8885 -0.8885 -0.3316 -0.3316 -0.2676 -0.2676 -0.2479 -0.2479 -0.0201 -0.0201 0.0276 0.0276 0.0377 0.0377 0.0695 0.0695 0.0766 0.0766 0.4648 0.4648 0.7208 0.7208 1.1077 1.1077 4.1982 4.1982 4.2024 4.2024 8.5684 8.5684 13.9288 13.9288 15.3608 15.3608 15.3786 15.3786 k = 0.0000 0.0000 0.0000 ( 11847 PWs) bands (ev): -40.6423 -40.6423 -20.6877 -20.6877 -20.1044 -20.1044 -20.1042 -20.1042 -19.7994 -19.7994 -19.6688 -19.6688 -19.6327 -19.6327 -5.9666 -5.9666 -5.8956 -5.8956 -4.7903 -4.7903 -4.7767 -4.7767 -4.3667 -4.3667 -4.2481 -4.2481 -2.7103 -2.7103 -2.3821 -2.3821 -2.1347 -2.1347 -0.8885 -0.8885 -0.3316 -0.3316 -0.2676 -0.2676 -0.2479 -0.2479 -0.0201 -0.0201 0.0276 0.0276 0.0377 0.0377 0.0695 0.0695 0.0766 0.0766 0.4648 0.4648 0.7208 0.7208 1.1077 1.1077 4.1982 4.1982 4.2024 4.2024 8.5684 8.5684 13.9288 13.9288 15.3608 15.3608 15.3786 15.3786 k = 0.0078-0.0054-0.0139 ( 11861 PWs) bands (ev): -40.6423 -40.6423 -20.6874 -20.6874 -20.1044 -20.1044 -20.1043 -20.1043 -19.7994 -19.7994 -19.6689 -19.6689 -19.6328 -19.6328 -5.9666 -5.9666 -5.8958 -5.8958 -4.7902 -4.7902 -4.7766 -4.7766 -4.3667 -4.3667 -4.2481 -4.2481 -2.7099 -2.7099 -2.3816 -2.3816 -2.1345 -2.1345 -0.8878 -0.8878 -0.3330 -0.3330 -0.2673 -0.2673 -0.2476 -0.2476 -0.0227 -0.0227 0.0230 0.0230 0.0329 0.0329 0.0741 0.0741 0.0812 0.0812 0.4661 0.4661 0.7208 0.7208 1.1079 1.1079 4.1979 4.1979 4.2022 4.2022 8.5707 8.5707 13.9307 13.9307 15.3258 15.3258 15.4046 15.4046 k = 0.0156-0.0109-0.0278 ( 11871 PWs) bands (ev): -40.6423 -40.6423 -20.6867 -20.6867 -20.1046 -20.1046 -20.1044 -20.1044 -19.7994 -19.7994 -19.6690 -19.6690 -19.6333 -19.6333 -5.9666 -5.9666 -5.8964 -5.8964 -4.7900 -4.7900 -4.7764 -4.7764 -4.3668 -4.3668 -4.2481 -4.2481 -2.7085 -2.7085 -2.3800 -2.3800 -2.1338 -2.1338 -0.8859 -0.8859 -0.3368 -0.3368 -0.2669 -0.2669 -0.2466 -0.2466 -0.0309 -0.0309 0.0131 0.0131 0.0227 0.0227 0.0835 0.0835 0.0915 0.0915 0.4701 0.4701 0.7207 0.7207 1.1087 1.1087 4.1971 4.1971 4.2015 4.2015 8.5776 8.5776 13.9366 13.9366 15.2763 15.2763 15.4267 15.4267 k = 0.0234-0.0163-0.0418 ( 11869 PWs) bands (ev): -40.6423 -40.6423 -20.6854 -20.6854 -20.1049 -20.1049 -20.1045 -20.1045 -19.7995 -19.7995 -19.6692 -19.6692 -19.6339 -19.6339 -5.9666 -5.9666 -5.8974 -5.8974 -4.7895 -4.7895 -4.7761 -4.7761 -4.3670 -4.3670 -4.2480 -4.2480 -2.7062 -2.7062 -2.3773 -2.3773 -2.1326 -2.1326 -0.8826 -0.8826 -0.3425 -0.3425 -0.2677 -0.2677 -0.2444 -0.2444 -0.0445 -0.0445 0.0021 0.0021 0.0112 0.0112 0.0940 0.0940 0.1034 0.1034 0.4765 0.4765 0.7206 0.7206 1.1100 1.1100 4.1958 4.1958 4.2004 4.2004 8.5890 8.5890 13.9463 13.9463 15.2209 15.2209 15.4368 15.4368 k = 0.0312-0.0218-0.0557 ( 11859 PWs) bands (ev): -40.6423 -40.6423 -20.6837 -20.6837 -20.1054 -20.1054 -20.1047 -20.1047 -19.7995 -19.7995 -19.6696 -19.6696 -19.6349 -19.6349 -5.9666 -5.9666 -5.8987 -5.8987 -4.7890 -4.7890 -4.7756 -4.7756 -4.3672 -4.3672 -4.2478 -4.2478 -2.7031 -2.7031 -2.3737 -2.3737 -2.1310 -2.1310 -0.8781 -0.8781 -0.3497 -0.3497 -0.2703 -0.2703 -0.2408 -0.2408 -0.0624 -0.0624 -0.0096 -0.0096 0.0000 0.0000 0.1046 0.1046 0.1153 0.1153 0.4850 0.4850 0.7205 0.7205 1.1118 1.1118 4.1938 4.1938 4.1990 4.1990 8.6050 8.6050 13.9598 13.9598 15.1609 15.1609 15.4351 15.4351 k = 0.0390-0.0272-0.0696 ( 11853 PWs) bands (ev): -40.6423 -40.6423 -20.6815 -20.6815 -20.1060 -20.1060 -20.1050 -20.1050 -19.7996 -19.7996 -19.6700 -19.6700 -19.6361 -19.6361 -5.9666 -5.9666 -5.9005 -5.9005 -4.7883 -4.7883 -4.7750 -4.7750 -4.3674 -4.3674 -4.2474 -4.2474 -2.6992 -2.6992 -2.3690 -2.3690 -2.1289 -2.1289 -0.8724 -0.8724 -0.3580 -0.3580 -0.2750 -0.2750 -0.2367 -0.2367 -0.0827 -0.0827 -0.0226 -0.0226 -0.0100 -0.0100 0.1146 0.1146 0.1267 0.1267 0.4952 0.4952 0.7205 0.7205 1.1141 1.1141 4.1912 4.1912 4.1973 4.1973 8.6255 8.6255 13.9770 13.9770 15.0972 15.0972 15.4235 15.4235 k = 0.0468-0.0326-0.0835 ( 11855 PWs) bands (ev): -40.6423 -40.6423 -20.6788 -20.6788 -20.1067 -20.1067 -20.1053 -20.1053 -19.7997 -19.7997 -19.6705 -19.6705 -19.6375 -19.6375 -5.9667 -5.9667 -5.9026 -5.9026 -4.7875 -4.7875 -4.7742 -4.7742 -4.3677 -4.3677 -4.2469 -4.2469 -2.6946 -2.6946 -2.3635 -2.3635 -2.1264 -2.1264 -0.8655 -0.8655 -0.3672 -0.3672 -0.2817 -0.2817 -0.2329 -0.2329 -0.1036 -0.1036 -0.0365 -0.0365 -0.0192 -0.0192 0.1240 0.1240 0.1373 0.1373 0.5066 0.5066 0.7204 0.7204 1.1169 1.1169 4.1880 4.1880 4.1954 4.1954 8.6504 8.6504 13.9975 13.9975 15.0306 15.0306 15.4034 15.4034 k = 0.0546-0.0381-0.0975 ( 11847 PWs) bands (ev): -40.6423 -40.6423 -20.6756 -20.6756 -20.1075 -20.1075 -20.1056 -20.1056 -19.7999 -19.7999 -19.6712 -19.6712 -19.6391 -19.6391 -5.9668 -5.9668 -5.9050 -5.9050 -4.7866 -4.7866 -4.7732 -4.7732 -4.3680 -4.3680 -4.2460 -4.2460 -2.6894 -2.6894 -2.3571 -2.3571 -2.1233 -2.1233 -0.8575 -0.8575 -0.3771 -0.3771 -0.2908 -0.2908 -0.2307 -0.2307 -0.1234 -0.1234 -0.0510 -0.0510 -0.0280 -0.0280 0.1326 0.1326 0.1470 0.1470 0.5190 0.5190 0.7204 0.7204 1.1202 1.1202 4.1842 4.1842 4.1932 4.1932 8.6796 8.6796 14.0212 14.0212 14.9617 14.9617 15.3760 15.3760 k = 0.0624-0.0435-0.1114 ( 11843 PWs) bands (ev): -40.6423 -40.6423 -20.6720 -20.6720 -20.1084 -20.1084 -20.1060 -20.1060 -19.8002 -19.8002 -19.6719 -19.6719 -19.6408 -19.6408 -5.9669 -5.9669 -5.9077 -5.9077 -4.7857 -4.7857 -4.7720 -4.7720 -4.3683 -4.3683 -4.2448 -4.2448 -2.6837 -2.6837 -2.3501 -2.3501 -2.1197 -2.1197 -0.8485 -0.8485 -0.3876 -0.3876 -0.3027 -0.3027 -0.2313 -0.2313 -0.1401 -0.1401 -0.0656 -0.0656 -0.0362 -0.0362 0.1403 0.1403 0.1559 0.1559 0.5320 0.5320 0.7206 0.7206 1.1240 1.1240 4.1798 4.1798 4.1907 4.1907 8.7130 8.7130 14.0476 14.0476 14.8912 14.8912 15.3421 15.3421 k = 0.0702-0.0490-0.1253 ( 11839 PWs) bands (ev): -40.6423 -40.6423 -20.6679 -20.6679 -20.1094 -20.1094 -20.1064 -20.1064 -19.8007 -19.8007 -19.6728 -19.6728 -19.6427 -19.6427 -5.9672 -5.9672 -5.9107 -5.9107 -4.7848 -4.7848 -4.7706 -4.7706 -4.3687 -4.3687 -4.2432 -4.2432 -2.6774 -2.6774 -2.3424 -2.3424 -2.1156 -2.1156 -0.8386 -0.8386 -0.3986 -0.3986 -0.3179 -0.3179 -0.2356 -0.2356 -0.1522 -0.1522 -0.0802 -0.0802 -0.0436 -0.0436 0.1469 0.1469 0.1638 0.1638 0.5452 0.5452 0.7209 0.7209 1.1283 1.1283 4.1750 4.1750 4.1880 4.1880 8.7507 8.7507 14.0761 14.0761 14.8198 14.8198 15.3025 15.3025 k = 0.0780-0.0544-0.1392 ( 11833 PWs) bands (ev): -40.6423 -40.6423 -20.6634 -20.6634 -20.1105 -20.1105 -20.1069 -20.1069 -19.8012 -19.8012 -19.6739 -19.6739 -19.6447 -19.6447 -5.9675 -5.9675 -5.9140 -5.9140 -4.7838 -4.7838 -4.7691 -4.7691 -4.3689 -4.3689 -4.2411 -4.2411 -2.6708 -2.6708 -2.3342 -2.3342 -2.1109 -2.1109 -0.8279 -0.8279 -0.4103 -0.4103 -0.3369 -0.3369 -0.2433 -0.2433 -0.1599 -0.1599 -0.0945 -0.0945 -0.0497 -0.0497 0.1525 0.1525 0.1709 0.1709 0.5584 0.5584 0.7215 0.7215 1.1329 1.1329 4.1698 4.1698 4.1850 4.1850 8.7923 8.7923 14.1060 14.1060 14.7484 14.7484 15.2577 15.2577 k = 0.0858-0.0598-0.1532 ( 11835 PWs) bands (ev): -40.6423 -40.6423 -20.6585 -20.6585 -20.1116 -20.1116 -20.1074 -20.1074 -19.8019 -19.8019 -19.6751 -19.6751 -19.6466 -19.6466 -5.9679 -5.9679 -5.9176 -5.9176 -4.7828 -4.7828 -4.7674 -4.7674 -4.3691 -4.3691 -4.2386 -4.2386 -2.6639 -2.6639 -2.3256 -2.3256 -2.1057 -2.1057 -0.8166 -0.8166 -0.4225 -0.4225 -0.3594 -0.3594 -0.2527 -0.2527 -0.1655 -0.1655 -0.1080 -0.1080 -0.0540 -0.0540 0.1570 0.1570 0.1772 0.1772 0.5713 0.5713 0.7225 0.7225 1.1380 1.1380 4.1642 4.1642 4.1818 4.1818 8.8379 8.8379 14.1359 14.1359 14.6783 14.6783 15.2086 15.2086 k = 0.0936-0.0653-0.1671 ( 11837 PWs) bands (ev): -40.6423 -40.6423 -20.6532 -20.6532 -20.1128 -20.1128 -20.1080 -20.1080 -19.8029 -19.8029 -19.6766 -19.6766 -19.6486 -19.6486 -5.9685 -5.9685 -5.9213 -5.9213 -4.7818 -4.7818 -4.7655 -4.7655 -4.3692 -4.3692 -4.2354 -4.2354 -2.6567 -2.6567 -2.3168 -2.3168 -2.0998 -2.0998 -0.8049 -0.8049 -0.4355 -0.4355 -0.3845 -0.3845 -0.2625 -0.2625 -0.1715 -0.1715 -0.1202 -0.1202 -0.0561 -0.0561 0.1603 0.1603 0.1826 0.1826 0.5837 0.5837 0.7240 0.7240 1.1435 1.1435 4.1583 4.1583 4.1783 4.1783 8.8872 8.8872 14.1634 14.1634 14.6114 14.6114 15.1564 15.1564 k = 0.1014-0.0707-0.1810 ( 11837 PWs) bands (ev): -40.6423 -40.6423 -20.6475 -20.6475 -20.1140 -20.1140 -20.1086 -20.1086 -19.8040 -19.8040 -19.6782 -19.6782 -19.6505 -19.6505 -5.9693 -5.9693 -5.9251 -5.9251 -4.7808 -4.7808 -4.7635 -4.7635 -4.3691 -4.3691 -4.2317 -4.2317 -2.6494 -2.6494 -2.3079 -2.3079 -2.0935 -2.0935 -0.7930 -0.7930 -0.4495 -0.4495 -0.4108 -0.4108 -0.2720 -0.2720 -0.1797 -0.1797 -0.1306 -0.1306 -0.0557 -0.0557 0.1625 0.1625 0.1872 0.1872 0.5954 0.5954 0.7262 0.7262 1.1493 1.1493 4.1522 4.1522 4.1745 4.1745 8.9402 8.9402 14.1845 14.1845 14.5511 14.5511 15.1022 15.1022 k = 0.1092-0.0762-0.1949 ( 11839 PWs) bands (ev): -40.6423 -40.6423 -20.6415 -20.6415 -20.1152 -20.1152 -20.1093 -20.1093 -19.8053 -19.8053 -19.6801 -19.6801 -19.6522 -19.6522 -5.9702 -5.9702 -5.9291 -5.9291 -4.7797 -4.7797 -4.7614 -4.7614 -4.3687 -4.3687 -4.2275 -4.2275 -2.6420 -2.6420 -2.2990 -2.2990 -2.0865 -2.0865 -0.7814 -0.7814 -0.4659 -0.4659 -0.4359 -0.4359 -0.2813 -0.2813 -0.1907 -0.1907 -0.1394 -0.1394 -0.0528 -0.0528 0.1634 0.1634 0.1910 0.1910 0.6062 0.6062 0.7292 0.7292 1.1555 1.1555 4.1459 4.1459 4.1706 4.1706 8.9966 8.9966 14.1924 14.1924 14.5033 14.5033 15.0479 15.0479 k = 0.1170-0.0816-0.2089 ( 11847 PWs) bands (ev): -40.6423 -40.6423 -20.6351 -20.6351 -20.1165 -20.1165 -20.1099 -20.1099 -19.8069 -19.8069 -19.6822 -19.6822 -19.6538 -19.6538 -5.9713 -5.9713 -5.9331 -5.9331 -4.7786 -4.7786 -4.7592 -4.7592 -4.3681 -4.3681 -4.2227 -4.2227 -2.6344 -2.6344 -2.2903 -2.2903 -2.0791 -2.0791 -0.7704 -0.7704 -0.4869 -0.4869 -0.4565 -0.4565 -0.2903 -0.2903 -0.2041 -0.2041 -0.1469 -0.1469 -0.0478 -0.0478 0.1632 0.1632 0.1939 0.1939 0.6159 0.6159 0.7332 0.7332 1.1619 1.1619 4.1395 4.1395 4.1664 4.1664 9.0564 9.0564 14.1792 14.1792 14.4738 14.4738 14.9960 14.9960 k = 0.1248-0.0870-0.2228 ( 11847 PWs) bands (ev): -40.6423 -40.6423 -20.6284 -20.6284 -20.1177 -20.1177 -20.1106 -20.1106 -19.8087 -19.8087 -19.6846 -19.6846 -19.6553 -19.6553 -5.9727 -5.9727 -5.9371 -5.9371 -4.7775 -4.7775 -4.7568 -4.7568 -4.3671 -4.3671 -4.2175 -4.2175 -2.6269 -2.6269 -2.2817 -2.2817 -2.0712 -2.0712 -0.7608 -0.7608 -0.5122 -0.5122 -0.4717 -0.4717 -0.2992 -0.2992 -0.2191 -0.2191 -0.1536 -0.1536 -0.0412 -0.0412 0.1620 0.1620 0.1960 0.1960 0.6244 0.6244 0.7384 0.7384 1.1685 1.1685 4.1331 4.1331 4.1621 4.1621 9.1193 9.1193 14.1428 14.1428 14.4621 14.4621 14.9498 14.9498 k = 0.1326-0.0925-0.2367 ( 11845 PWs) bands (ev): -40.6423 -40.6423 -20.6214 -20.6214 -20.1190 -20.1190 -20.1114 -20.1114 -19.8108 -19.8108 -19.6872 -19.6872 -19.6565 -19.6565 -5.9743 -5.9743 -5.9411 -5.9411 -4.7764 -4.7764 -4.7544 -4.7544 -4.3658 -4.3658 -4.2117 -4.2117 -2.6193 -2.6193 -2.2735 -2.2735 -2.0629 -2.0629 -0.7533 -0.7533 -0.5388 -0.5388 -0.4834 -0.4834 -0.3080 -0.3080 -0.2351 -0.2351 -0.1597 -0.1597 -0.0335 -0.0335 0.1598 0.1598 0.1972 0.1972 0.6315 0.6315 0.7448 0.7448 1.1753 1.1753 4.1267 4.1267 4.1575 4.1575 9.1852 9.1852 14.0892 14.0892 14.4573 14.4573 14.9139 14.9139 k = 0.1404-0.0979-0.2506 ( 11841 PWs) bands (ev): -40.6423 -40.6423 -20.6142 -20.6142 -20.1202 -20.1202 -20.1121 -20.1121 -19.8131 -19.8131 -19.6900 -19.6900 -19.6576 -19.6576 -5.9762 -5.9762 -5.9449 -5.9449 -4.7753 -4.7753 -4.7519 -4.7519 -4.3642 -4.3642 -4.2056 -4.2056 -2.6118 -2.6118 -2.2656 -2.2656 -2.0542 -2.0542 -0.7489 -0.7489 -0.5647 -0.5647 -0.4923 -0.4923 -0.3169 -0.3169 -0.2518 -0.2518 -0.1653 -0.1653 -0.0250 -0.0250 0.1568 0.1568 0.1977 0.1977 0.6374 0.6374 0.7524 0.7524 1.1822 1.1822 4.1204 4.1204 4.1528 4.1528 9.2539 9.2539 14.0261 14.0261 14.4472 14.4472 14.8936 14.8936 k = 0.1482-0.1034-0.2646 ( 11839 PWs) bands (ev): -40.6423 -40.6423 -20.6068 -20.6068 -20.1215 -20.1215 -20.1128 -20.1128 -19.8156 -19.8156 -19.6929 -19.6929 -19.6586 -19.6586 -5.9785 -5.9785 -5.9485 -5.9485 -4.7742 -4.7742 -4.7492 -4.7492 -4.3621 -4.3621 -4.1991 -4.1991 -2.6043 -2.6043 -2.2580 -2.2580 -2.0454 -2.0454 -0.7486 -0.7486 -0.5888 -0.5888 -0.4983 -0.4983 -0.3260 -0.3260 -0.2690 -0.2690 -0.1704 -0.1704 -0.0162 -0.0162 0.1531 0.1531 0.1973 0.1973 0.6422 0.6422 0.7611 0.7611 1.1893 1.1893 4.1142 4.1142 4.1480 4.1480 9.3252 9.3252 13.9581 13.9581 14.4236 14.4236 14.8917 14.8917 k = 0.1560-0.1088-0.2785 ( 11825 PWs) bands (ev): -40.6423 -40.6423 -20.5991 -20.5991 -20.1227 -20.1227 -20.1136 -20.1136 -19.8184 -19.8184 -19.6960 -19.6960 -19.6594 -19.6594 -5.9811 -5.9811 -5.9519 -5.9519 -4.7732 -4.7732 -4.7464 -4.7464 -4.3595 -4.3595 -4.1924 -4.1924 -2.5969 -2.5969 -2.2508 -2.2508 -2.0364 -2.0364 -0.7532 -0.7532 -0.6108 -0.6108 -0.5010 -0.5010 -0.3352 -0.3352 -0.2864 -0.2864 -0.1749 -0.1749 -0.0074 -0.0074 0.1489 0.1489 0.1962 0.1962 0.6460 0.6460 0.7707 0.7707 1.1963 1.1963 4.1083 4.1083 4.1431 4.1431 9.3990 9.3990 13.8880 13.8880 14.3852 14.3852 14.9065 14.9065 k = 0.1638-0.1142-0.2924 ( 11813 PWs) bands (ev): -40.6423 -40.6423 -20.5913 -20.5913 -20.1239 -20.1239 -20.1143 -20.1143 -19.8214 -19.8214 -19.6992 -19.6992 -19.6601 -19.6601 -5.9840 -5.9840 -5.9551 -5.9551 -4.7721 -4.7721 -4.7435 -4.7435 -4.3565 -4.3565 -4.1856 -4.1856 -2.5896 -2.5896 -2.2438 -2.2438 -2.0274 -2.0274 -0.7626 -0.7626 -0.6306 -0.6306 -0.5001 -0.5001 -0.3447 -0.3447 -0.3039 -0.3039 -0.1788 -0.1788 0.0013 0.0013 0.1444 0.1444 0.1943 0.1943 0.6491 0.6491 0.7810 0.7810 1.2034 1.2034 4.1025 4.1025 4.1382 4.1382 9.4749 9.4749 13.8170 13.8170 14.3349 14.3349 14.9324 14.9324 k = 0.1716-0.1197-0.3063 ( 11795 PWs) bands (ev): -40.6423 -40.6423 -20.5834 -20.5834 -20.1251 -20.1251 -20.1150 -20.1150 -19.8245 -19.8245 -19.7024 -19.7024 -19.6608 -19.6608 -5.9871 -5.9871 -5.9580 -5.9580 -4.7710 -4.7710 -4.7405 -4.7405 -4.3531 -4.3531 -4.1786 -4.1786 -2.5824 -2.5824 -2.2370 -2.2370 -2.0185 -2.0185 -0.7761 -0.7761 -0.6490 -0.6490 -0.4961 -0.4961 -0.3545 -0.3545 -0.3213 -0.3213 -0.1821 -0.1821 0.0095 0.0095 0.1400 0.1400 0.1917 0.1917 0.6516 0.6516 0.7919 0.7919 1.2104 1.2104 4.0970 4.0970 4.1331 4.1331 9.5529 9.5529 13.7462 13.7462 14.2763 14.2763 14.9628 14.9628 k = 0.1794-0.1251-0.3203 ( 11787 PWs) bands (ev): -40.6423 -40.6423 -20.5754 -20.5754 -20.1263 -20.1263 -20.1157 -20.1157 -19.8277 -19.8277 -19.7057 -19.7057 -19.6614 -19.6614 -5.9904 -5.9904 -5.9607 -5.9607 -4.7700 -4.7700 -4.7373 -4.7373 -4.3492 -4.3492 -4.1718 -4.1718 -2.5753 -2.5753 -2.2304 -2.2304 -2.0098 -2.0098 -0.7923 -0.7923 -0.6665 -0.6665 -0.4895 -0.4895 -0.3647 -0.3647 -0.3383 -0.3383 -0.1847 -0.1847 0.0170 0.0170 0.1359 0.1359 0.1885 0.1885 0.6538 0.6538 0.8031 0.8031 1.2173 1.2173 4.0918 4.0918 4.1281 4.1281 9.6326 9.6326 13.6761 13.6761 14.2125 14.2125 14.9911 14.9911 k = 0.1872-0.1306-0.3342 ( 11793 PWs) bands (ev): -40.6423 -40.6423 -20.5673 -20.5673 -20.1275 -20.1275 -20.1164 -20.1164 -19.8311 -19.8311 -19.7090 -19.7090 -19.6620 -19.6620 -5.9939 -5.9939 -5.9632 -5.9632 -4.7689 -4.7689 -4.7341 -4.7341 -4.3449 -4.3449 -4.1650 -4.1650 -2.5684 -2.5684 -2.2239 -2.2239 -2.0013 -2.0013 -0.8100 -0.8100 -0.6838 -0.6838 -0.4816 -0.4816 -0.3756 -0.3756 -0.3543 -0.3543 -0.1867 -0.1867 0.0235 0.0235 0.1323 0.1323 0.1846 0.1846 0.6559 0.6559 0.8145 0.8145 1.2241 1.2241 4.0869 4.0869 4.1231 4.1231 9.7139 9.7139 13.6072 13.6072 14.1455 14.1455 15.0117 15.0117 k = 0.1950-0.1360-0.3481 ( 11803 PWs) bands (ev): -40.6423 -40.6423 -20.5591 -20.5591 -20.1288 -20.1288 -20.1169 -20.1169 -19.8345 -19.8345 -19.7124 -19.7124 -19.6626 -19.6626 -5.9975 -5.9975 -5.9656 -5.9656 -4.7678 -4.7678 -4.7308 -4.7308 -4.3402 -4.3402 -4.1585 -4.1585 -2.5616 -2.5616 -2.2174 -2.2174 -1.9932 -1.9932 -0.8281 -0.8281 -0.7011 -0.7011 -0.4738 -0.4738 -0.3874 -0.3874 -0.3683 -0.3683 -0.1880 -0.1880 0.0288 0.0288 0.1297 0.1297 0.1802 0.1802 0.6579 0.6579 0.8259 0.8259 1.2308 1.2308 4.0823 4.0823 4.1183 4.1183 9.7966 9.7966 13.5397 13.5397 14.0768 14.0768 15.0210 15.0210 k = 0.2028-0.1414-0.3620 ( 11805 PWs) bands (ev): -40.6423 -40.6423 -20.5510 -20.5510 -20.1300 -20.1300 -20.1174 -20.1174 -19.8379 -19.8379 -19.7157 -19.7157 -19.6632 -19.6632 -6.0011 -6.0011 -5.9678 -5.9678 -4.7666 -4.7666 -4.7274 -4.7274 -4.3351 -4.3351 -4.1523 -4.1523 -2.5550 -2.5550 -2.2109 -2.2109 -1.9855 -1.9855 -0.8458 -0.8458 -0.7186 -0.7186 -0.4684 -0.4684 -0.3998 -0.3998 -0.3790 -0.3790 -0.1887 -0.1887 0.0328 0.0328 0.1281 0.1281 0.1755 0.1755 0.6599 0.6599 0.8374 0.8374 1.2373 1.2373 4.0780 4.0780 4.1136 4.1136 9.8803 9.8803 13.4740 13.4740 14.0071 14.0071 15.0183 15.0183 k = 0.2106-0.1469-0.3760 ( 11795 PWs) bands (ev): -40.6423 -40.6423 -20.5430 -20.5430 -20.1313 -20.1313 -20.1179 -20.1179 -19.8413 -19.8413 -19.7189 -19.7189 -19.6639 -19.6639 -6.0046 -6.0046 -5.9699 -5.9699 -4.7653 -4.7653 -4.7239 -4.7239 -4.3297 -4.3297 -4.1465 -4.1465 -2.5485 -2.5485 -2.2042 -2.2042 -1.9782 -1.9782 -0.8628 -0.8628 -0.7364 -0.7364 -0.4683 -0.4683 -0.4116 -0.4116 -0.3853 -0.3853 -0.1887 -0.1887 0.0354 0.0354 0.1277 0.1277 0.1704 0.1704 0.6620 0.6620 0.8486 0.8486 1.2436 1.2436 4.0739 4.0739 4.1091 4.1091 9.9649 9.9649 13.4104 13.4104 13.9372 13.9372 15.0054 15.0054 k = 0.2184-0.1523-0.3899 ( 11803 PWs) bands (ev): -40.6423 -40.6423 -20.5350 -20.5350 -20.1326 -20.1326 -20.1182 -20.1182 -19.8446 -19.8446 -19.7222 -19.7222 -19.6646 -19.6646 -6.0082 -6.0082 -5.9718 -5.9718 -4.7639 -4.7639 -4.7205 -4.7205 -4.3239 -4.3239 -4.1412 -4.1412 -2.5422 -2.5422 -2.1974 -2.1974 -1.9715 -1.9715 -0.8786 -0.8786 -0.7542 -0.7542 -0.4756 -0.4756 -0.4223 -0.4223 -0.3859 -0.3859 -0.1881 -0.1881 0.0368 0.0368 0.1283 0.1283 0.1654 0.1654 0.6643 0.6643 0.8597 0.8597 1.2497 1.2497 4.0699 4.0699 4.1051 4.1051 10.0501 10.0501 13.3490 13.3490 13.8675 13.8675 14.9849 14.9849 k = 0.2262-0.1578-0.4038 ( 11805 PWs) bands (ev): -40.6423 -40.6423 -20.5272 -20.5272 -20.1340 -20.1340 -20.1185 -20.1185 -19.8479 -19.8479 -19.7254 -19.7254 -19.6654 -19.6654 -6.0116 -6.0116 -5.9736 -5.9736 -4.7624 -4.7624 -4.7171 -4.7171 -4.3179 -4.3179 -4.1364 -4.1364 -2.5360 -2.5360 -2.1903 -2.1903 -1.9652 -1.9652 -0.8930 -0.8930 -0.7722 -0.7722 -0.4892 -0.4892 -0.4326 -0.4326 -0.3815 -0.3815 -0.1870 -0.1870 0.0372 0.0372 0.1295 0.1295 0.1606 0.1606 0.6669 0.6669 0.8704 0.8704 1.2556 1.2556 4.0661 4.0661 4.1014 4.1014 10.1356 10.1356 13.2902 13.2902 13.7983 13.7983 14.9587 14.9587 k = 0.2340-0.1632-0.4177 ( 11797 PWs) bands (ev): -40.6423 -40.6423 -20.5195 -20.5195 -20.1353 -20.1353 -20.1186 -20.1186 -19.8509 -19.8509 -19.7285 -19.7285 -19.6663 -19.6663 -6.0151 -6.0151 -5.9752 -5.9752 -4.7607 -4.7607 -4.7138 -4.7138 -4.3115 -4.3115 -4.1322 -4.1322 -2.5300 -2.5300 -2.1830 -2.1830 -1.9595 -1.9595 -0.9059 -0.9059 -0.7901 -0.7901 -0.5064 -0.5064 -0.4432 -0.4432 -0.3743 -0.3743 -0.1853 -0.1853 0.0369 0.0369 0.1305 0.1305 0.1566 0.1566 0.6696 0.6696 0.8807 0.8807 1.2613 1.2613 4.0623 4.0623 4.0984 4.0984 10.2210 10.2210 13.2343 13.2343 13.7300 13.7300 14.9283 14.9283 k = 0.2418-0.1686-0.4317 ( 11811 PWs) bands (ev): -40.6423 -40.6423 -20.5120 -20.5120 -20.1367 -20.1367 -20.1187 -20.1187 -19.8538 -19.8538 -19.7315 -19.7315 -19.6673 -19.6673 -6.0184 -6.0184 -5.9766 -5.9766 -4.7589 -4.7589 -4.7105 -4.7105 -4.3050 -4.3050 -4.1286 -4.1286 -2.5241 -2.5241 -2.1755 -2.1755 -1.9544 -1.9544 -0.9173 -0.9173 -0.8080 -0.8080 -0.5257 -0.5257 -0.4540 -0.4540 -0.3661 -0.3661 -0.1832 -0.1832 0.0364 0.0364 0.1304 0.1304 0.1542 0.1542 0.6726 0.6726 0.8905 0.8905 1.2667 1.2667 4.0583 4.0583 4.0960 4.0960 10.3062 10.3062 13.1814 13.1814 13.6627 13.6627 14.8948 14.8948 k = 0.2496-0.1741-0.4456 ( 11815 PWs) bands (ev): -40.6423 -40.6423 -20.5048 -20.5048 -20.1382 -20.1382 -20.1186 -20.1186 -19.8565 -19.8565 -19.7345 -19.7345 -19.6684 -19.6684 -6.0217 -6.0217 -5.9779 -5.9779 -4.7569 -4.7569 -4.7074 -4.7074 -4.2984 -4.2984 -4.1255 -4.1255 -2.5184 -2.5184 -2.1677 -2.1677 -1.9498 -1.9498 -0.9271 -0.9271 -0.8256 -0.8256 -0.5462 -0.5462 -0.4648 -0.4648 -0.3580 -0.3580 -0.1808 -0.1808 0.0359 0.0359 0.1287 0.1287 0.1539 0.1539 0.6758 0.6758 0.8998 0.8998 1.2721 1.2721 4.0543 4.0543 4.0943 4.0943 10.3906 10.3906 13.1318 13.1318 13.5967 13.5967 14.8587 14.8587 k = 0.2574-0.1795-0.4595 ( 11801 PWs) bands (ev): -40.6423 -40.6423 -20.4979 -20.4979 -20.1396 -20.1396 -20.1184 -20.1184 -19.8590 -19.8590 -19.7374 -19.7374 -19.6696 -19.6696 -6.0249 -6.0249 -5.9788 -5.9788 -4.7548 -4.7548 -4.7045 -4.7045 -4.2916 -4.2916 -4.1230 -4.1230 -2.5128 -2.5128 -2.1596 -2.1596 -1.9458 -1.9458 -0.9354 -0.9354 -0.8429 -0.8429 -0.5674 -0.5674 -0.4754 -0.4754 -0.3504 -0.3504 -0.1783 -0.1783 0.0356 0.0356 0.1256 0.1256 0.1553 0.1553 0.6792 0.6792 0.9085 0.9085 1.2772 1.2772 4.0500 4.0500 4.0934 4.0934 10.4741 10.4741 13.0858 13.0858 13.5322 13.5322 14.8206 14.8206 k = 0.2652-0.1850-0.4734 ( 11807 PWs) bands (ev): -40.6423 -40.6423 -20.4913 -20.4913 -20.1410 -20.1410 -20.1181 -20.1181 -19.8612 -19.8612 -19.7401 -19.7401 -19.6709 -19.6709 -6.0282 -6.0282 -5.9796 -5.9796 -4.7525 -4.7525 -4.7017 -4.7017 -4.2848 -4.2848 -4.1209 -4.1209 -2.5074 -2.5074 -2.1514 -2.1514 -1.9424 -1.9424 -0.9424 -0.9424 -0.8597 -0.8597 -0.5891 -0.5891 -0.4857 -0.4857 -0.3437 -0.3437 -0.1759 -0.1759 0.0356 0.0356 0.1218 0.1218 0.1575 0.1575 0.6828 0.6828 0.9165 0.9165 1.2822 1.2822 4.0457 4.0457 4.0933 4.0933 10.5560 10.5560 13.0438 13.0438 13.4694 13.4694 14.7810 14.7810 k = 0.2730-0.1904-0.4874 ( 11801 PWs) bands (ev): -40.6423 -40.6423 -20.4850 -20.4850 -20.1424 -20.1424 -20.1178 -20.1178 -19.8632 -19.8632 -19.7427 -19.7427 -19.6724 -19.6724 -6.0314 -6.0314 -5.9800 -5.9800 -4.7500 -4.7500 -4.6992 -4.6992 -4.2779 -4.2779 -4.1192 -4.1192 -2.5022 -2.5022 -2.1431 -2.1431 -1.9396 -1.9396 -0.9483 -0.9483 -0.8756 -0.8756 -0.6109 -0.6109 -0.4954 -0.4954 -0.3380 -0.3380 -0.1737 -0.1737 0.0359 0.0359 0.1181 0.1181 0.1601 0.1601 0.6865 0.6865 0.9237 0.9237 1.2871 1.2871 4.0412 4.0412 4.0938 4.0938 10.6360 10.6360 13.0059 13.0059 13.4084 13.4084 14.7402 14.7402 k = 0.2808-0.1958-0.5013 ( 11797 PWs) bands (ev): -40.6423 -40.6423 -20.4792 -20.4792 -20.1437 -20.1437 -20.1173 -20.1173 -19.8650 -19.8650 -19.7451 -19.7451 -19.6740 -19.6740 -6.0346 -6.0346 -5.9801 -5.9801 -4.7475 -4.7475 -4.6969 -4.6969 -4.2712 -4.2712 -4.1178 -4.1178 -2.4972 -2.4972 -2.1347 -2.1347 -1.9375 -1.9375 -0.9537 -0.9537 -0.8900 -0.8900 -0.6328 -0.6328 -0.5046 -0.5046 -0.3332 -0.3332 -0.1719 -0.1719 0.0367 0.0367 0.1147 0.1147 0.1626 0.1626 0.6902 0.6902 0.9302 0.9302 1.2920 1.2920 4.0366 4.0366 4.0950 4.0950 10.7137 10.7137 12.9725 12.9725 13.3495 13.3495 14.6985 14.6985 k = 0.2886-0.2013-0.5152 ( 11811 PWs) bands (ev): -40.6423 -40.6423 -20.4737 -20.4737 -20.1450 -20.1450 -20.1167 -20.1167 -19.8665 -19.8665 -19.7474 -19.7474 -19.6757 -19.6757 -6.0379 -6.0379 -5.9799 -5.9799 -4.7448 -4.7448 -4.6948 -4.6948 -4.2646 -4.2646 -4.1166 -4.1166 -2.4924 -2.4924 -2.1263 -2.1263 -1.9359 -1.9359 -0.9597 -0.9597 -0.9021 -0.9021 -0.6544 -0.6544 -0.5129 -0.5129 -0.3295 -0.3295 -0.1705 -0.1705 0.0376 0.0376 0.1118 0.1118 0.1650 0.1650 0.6939 0.6939 0.9359 0.9359 1.2968 1.2968 4.0320 4.0320 4.0967 4.0967 10.7885 10.7885 12.9438 12.9438 13.2929 13.2929 14.6565 14.6565 k = 0.2964-0.2067-0.5291 ( 11811 PWs) bands (ev): -40.6423 -40.6423 -20.4687 -20.4687 -20.1462 -20.1462 -20.1159 -20.1159 -19.8679 -19.8679 -19.7495 -19.7495 -19.6775 -19.6775 -6.0412 -6.0412 -5.9794 -5.9794 -4.7421 -4.7421 -4.6930 -4.6930 -4.2581 -4.2581 -4.1154 -4.1154 -2.4879 -2.4879 -2.1181 -2.1181 -1.9350 -1.9350 -0.9673 -0.9673 -0.9108 -0.9108 -0.6756 -0.6756 -0.5204 -0.5204 -0.3268 -0.3268 -0.1696 -0.1696 0.0387 0.0387 0.1097 0.1097 0.1670 0.1670 0.6975 0.6975 0.9407 0.9407 1.3016 1.3016 4.0274 4.0274 4.0990 4.0990 10.8599 10.8599 12.9199 12.9199 13.2390 13.2390 14.6143 14.6143 k = 0.3042-0.2122-0.5431 ( 11809 PWs) bands (ev): -40.6423 -40.6423 -20.4641 -20.4641 -20.1472 -20.1472 -20.1151 -20.1151 -19.8690 -19.8690 -19.7514 -19.7514 -19.6795 -19.6795 -6.0446 -6.0446 -5.9786 -5.9786 -4.7395 -4.7395 -4.6914 -4.6914 -4.2519 -4.2519 -4.1141 -4.1141 -2.4837 -2.4837 -2.1102 -2.1102 -1.9347 -1.9347 -0.9775 -0.9775 -0.9152 -0.9152 -0.6961 -0.6961 -0.5267 -0.5267 -0.3250 -0.3250 -0.1691 -0.1691 0.0396 0.0396 0.1084 0.1084 0.1687 0.1687 0.7008 0.7008 0.9446 0.9446 1.3064 1.3064 4.0228 4.0228 4.1018 4.1018 10.9274 10.9274 12.9007 12.9007 13.1885 13.1885 14.5722 14.5722 k = 0.3120-0.2176-0.5570 ( 11821 PWs) bands (ev): -40.6423 -40.6423 -20.4600 -20.4600 -20.1482 -20.1482 -20.1142 -20.1142 -19.8700 -19.8700 -19.7530 -19.7530 -19.6815 -19.6815 -6.0480 -6.0480 -5.9775 -5.9775 -4.7370 -4.7370 -4.6900 -4.6900 -4.2460 -4.2460 -4.1125 -4.1125 -2.4798 -2.4798 -2.1028 -2.1028 -1.9349 -1.9349 -0.9898 -0.9898 -0.9160 -0.9160 -0.7157 -0.7157 -0.5319 -0.5319 -0.3241 -0.3241 -0.1689 -0.1689 0.0404 0.0404 0.1079 0.1079 0.1701 0.1701 0.7039 0.7039 0.9477 0.9477 1.3113 1.3113 4.0184 4.0184 4.1050 4.1050 10.9905 10.9905 12.8857 12.8857 13.1422 13.1422 14.5305 14.5305 k = 0.3198-0.2230-0.5709 ( 11829 PWs) bands (ev): -40.6423 -40.6423 -20.4564 -20.4564 -20.1490 -20.1490 -20.1131 -20.1131 -19.8709 -19.8709 -19.7544 -19.7544 -19.6837 -19.6837 -6.0514 -6.0514 -5.9761 -5.9761 -4.7346 -4.7346 -4.6886 -4.6886 -4.2404 -4.2404 -4.1107 -4.1107 -2.4762 -2.4762 -2.0960 -2.0960 -1.9355 -1.9355 -1.0037 -1.0037 -0.9143 -0.9143 -0.7341 -0.7341 -0.5357 -0.5357 -0.3240 -0.3240 -0.1688 -0.1688 0.0407 0.0407 0.1082 0.1082 0.1712 0.1712 0.7064 0.7064 0.9500 0.9500 1.3162 1.3162 4.0140 4.0140 4.1085 4.1085 11.0487 11.0487 12.8738 12.8738 13.1018 13.1018 14.4895 14.4895 k = 0.3276-0.2285-0.5848 ( 11825 PWs) bands (ev): -40.6423 -40.6423 -20.4532 -20.4532 -20.1497 -20.1497 -20.1119 -20.1119 -19.8717 -19.8717 -19.7556 -19.7556 -19.6859 -19.6859 -6.0549 -6.0549 -5.9744 -5.9744 -4.7326 -4.7326 -4.6873 -4.6873 -4.2352 -4.2352 -4.1083 -4.1083 -2.4731 -2.4731 -2.0900 -2.0900 -1.9365 -1.9365 -1.0182 -1.0182 -0.9110 -0.9110 -0.7509 -0.7509 -0.5379 -0.5379 -0.3247 -0.3247 -0.1689 -0.1689 0.0406 0.0406 0.1091 0.1091 0.1721 0.1721 0.7083 0.7083 0.9515 0.9515 1.3213 1.3213 4.0097 4.0097 4.1123 4.1123 11.1017 11.1017 12.8627 12.8627 13.0700 13.0700 14.4492 14.4492 k = 0.3354-0.2339-0.5988 ( 11825 PWs) bands (ev): -40.6423 -40.6423 -20.4506 -20.4506 -20.1502 -20.1502 -20.1106 -20.1106 -19.8724 -19.8724 -19.7566 -19.7566 -19.6882 -19.6882 -6.0584 -6.0584 -5.9726 -5.9726 -4.7310 -4.7310 -4.6859 -4.6859 -4.2303 -4.2303 -4.1055 -4.1055 -2.4704 -2.4704 -2.0850 -2.0850 -1.9375 -1.9375 -1.0331 -1.0331 -0.9073 -0.9073 -0.7655 -0.7655 -0.5385 -0.5385 -0.3262 -0.3262 -0.1687 -0.1687 0.0400 0.0400 0.1103 0.1103 0.1727 0.1727 0.7093 0.7093 0.9523 0.9523 1.3264 1.3264 4.0056 4.0056 4.1163 4.1163 11.1491 11.1491 12.8488 12.8488 13.0504 13.0504 14.4100 14.4100 k = 0.3432-0.2394-0.6127 ( 11823 PWs) bands (ev): -40.6423 -40.6423 -20.4483 -20.4483 -20.1506 -20.1506 -20.1092 -20.1092 -19.8731 -19.8731 -19.7573 -19.7573 -19.6905 -19.6905 -6.0618 -6.0618 -5.9705 -5.9705 -4.7300 -4.7300 -4.6843 -4.6843 -4.2258 -4.2258 -4.1022 -4.1022 -2.4682 -2.4682 -2.0813 -2.0813 -1.9385 -1.9385 -1.0480 -1.0480 -0.9043 -0.9043 -0.7773 -0.7773 -0.5372 -0.5372 -0.3282 -0.3282 -0.1684 -0.1684 0.0390 0.0390 0.1116 0.1116 0.1733 0.1733 0.7094 0.7094 0.9525 0.9525 1.3316 1.3316 4.0016 4.0016 4.1205 4.1205 11.1908 11.1908 12.8291 12.8291 13.0461 13.0461 14.3719 14.3719 k = 0.3510-0.2448-0.6266 ( 11815 PWs) bands (ev): -40.6423 -40.6423 -20.4466 -20.4466 -20.1508 -20.1508 -20.1076 -20.1076 -19.8738 -19.8738 -19.7577 -19.7577 -19.6929 -19.6929 -6.0653 -6.0653 -5.9683 -5.9683 -4.7296 -4.7296 -4.6825 -4.6825 -4.2216 -4.2216 -4.0983 -4.0983 -2.4664 -2.4664 -2.0791 -2.0791 -1.9392 -1.9392 -1.0628 -1.0628 -0.9028 -0.9028 -0.7858 -0.7858 -0.5340 -0.5340 -0.3308 -0.3308 -0.1676 -0.1676 0.0376 0.0376 0.1128 0.1128 0.1739 0.1739 0.7084 0.7084 0.9523 0.9523 1.3369 1.3369 3.9978 3.9978 4.1249 4.1249 11.2269 11.2269 12.8035 12.8035 13.0572 13.0572 14.3351 14.3351 k = 0.3588-0.2502-0.6405 ( 11805 PWs) bands (ev): -40.6423 -40.6423 -20.4452 -20.4452 -20.1509 -20.1509 -20.1059 -20.1059 -19.8745 -19.8745 -19.7580 -19.7580 -19.6952 -19.6952 -6.0688 -6.0688 -5.9660 -5.9660 -4.7299 -4.7299 -4.6803 -4.6803 -4.2177 -4.2177 -4.0938 -4.0938 -2.4652 -2.4652 -2.0785 -2.0785 -1.9394 -1.9394 -1.0773 -1.0773 -0.9038 -0.9038 -0.7904 -0.7904 -0.5287 -0.5287 -0.3337 -0.3337 -0.1664 -0.1664 0.0358 0.0358 0.1137 0.1137 0.1746 0.1746 0.7061 0.7061 0.9518 0.9518 1.3422 1.3422 3.9942 3.9942 4.1293 4.1293 11.2574 11.2574 12.7738 12.7738 13.0815 13.0815 14.2997 14.2997 k = 0.3666-0.2557-0.6545 ( 11804 PWs) bands (ev): -40.6423 -40.6423 -20.4442 -20.4442 -20.1509 -20.1509 -20.1041 -20.1041 -19.8753 -19.8753 -19.7580 -19.7580 -19.6975 -19.6975 -6.0722 -6.0722 -5.9636 -5.9636 -4.7308 -4.7308 -4.6777 -4.6777 -4.2140 -4.2140 -4.0890 -4.0890 -2.4645 -2.4645 -2.0796 -2.0796 -1.9390 -1.9390 -1.0915 -1.0915 -0.9074 -0.9074 -0.7913 -0.7913 -0.5212 -0.5212 -0.3367 -0.3367 -0.1647 -0.1647 0.0337 0.0337 0.1139 0.1139 0.1755 0.1755 0.7023 0.7023 0.9511 0.9511 1.3476 1.3476 3.9908 3.9908 4.1338 4.1338 11.2828 11.2828 12.7421 12.7421 13.1165 13.1165 14.2659 14.2659 k = 0.6334 0.0052-0.4763 ( 11804 PWs) bands (ev): -40.6423 -40.6423 -20.4442 -20.4442 -20.1509 -20.1509 -20.1041 -20.1041 -19.8753 -19.8753 -19.7580 -19.7580 -19.6975 -19.6975 -6.0722 -6.0722 -5.9636 -5.9636 -4.7308 -4.7308 -4.6777 -4.6777 -4.2140 -4.2140 -4.0890 -4.0890 -2.4645 -2.4645 -2.0796 -2.0796 -1.9390 -1.9390 -1.0916 -1.0916 -0.9074 -0.9074 -0.7913 -0.7913 -0.5212 -0.5212 -0.3367 -0.3367 -0.1647 -0.1647 0.0337 0.0337 0.1139 0.1139 0.1755 0.1755 0.7023 0.7023 0.9511 0.9511 1.3476 1.3476 3.9908 3.9908 4.1338 4.1338 11.2828 11.2828 12.7421 12.7421 13.1165 13.1165 14.2659 14.2659 k = 0.6256 0.0202-0.4763 ( 11800 PWs) bands (ev): -40.6423 -40.6423 -20.4436 -20.4436 -20.1508 -20.1508 -20.1022 -20.1022 -19.8762 -19.8762 -19.7579 -19.7579 -19.6998 -19.6998 -6.0756 -6.0756 -5.9611 -5.9611 -4.7322 -4.7322 -4.6749 -4.6749 -4.2104 -4.2104 -4.0837 -4.0837 -2.4644 -2.4644 -2.0823 -2.0823 -1.9379 -1.9379 -1.1054 -1.1054 -0.9131 -0.9131 -0.7892 -0.7892 -0.5116 -0.5116 -0.3395 -0.3395 -0.1624 -0.1624 0.0314 0.0314 0.1135 0.1135 0.1766 0.1766 0.6969 0.6969 0.9504 0.9504 1.3530 1.3530 3.9875 3.9875 4.1383 4.1383 11.3035 11.3035 12.7098 12.7098 13.1602 13.1602 14.2335 14.2335 k = 0.6177 0.0353-0.4763 ( 11804 PWs) bands (ev): -40.6423 -40.6423 -20.4433 -20.4433 -20.1506 -20.1506 -20.1002 -20.1002 -19.8771 -19.8771 -19.7576 -19.7576 -19.7020 -19.7020 -6.0789 -6.0789 -5.9586 -5.9586 -4.7342 -4.7342 -4.6719 -4.6719 -4.2071 -4.2071 -4.0782 -4.0782 -2.4647 -2.4647 -2.0865 -2.0865 -1.9362 -1.9362 -1.1188 -1.1188 -0.9203 -0.9203 -0.7852 -0.7852 -0.5002 -0.5002 -0.3419 -0.3419 -0.1597 -0.1597 0.0289 0.0289 0.1123 0.1123 0.1779 0.1779 0.6898 0.6898 0.9498 0.9498 1.3583 1.3583 3.9845 3.9845 4.1427 4.1427 11.3199 11.3199 12.6781 12.6781 13.2109 13.2109 14.2030 14.2030 k = 0.6099 0.0503-0.4763 ( 11804 PWs) bands (ev): -40.6423 -40.6423 -20.4432 -20.4432 -20.1503 -20.1503 -20.0981 -20.0981 -19.8781 -19.8781 -19.7573 -19.7573 -19.7041 -19.7041 -6.0820 -6.0820 -5.9562 -5.9562 -4.7365 -4.7365 -4.6687 -4.6687 -4.2038 -4.2038 -4.0725 -4.0725 -2.4656 -2.4656 -2.0919 -2.0919 -1.9339 -1.9339 -1.1317 -1.1317 -0.9281 -0.9281 -0.7803 -0.7803 -0.4875 -0.4875 -0.3433 -0.3433 -0.1564 -0.1564 0.0261 0.0261 0.1105 0.1105 0.1793 0.1793 0.6812 0.6812 0.9493 0.9493 1.3635 1.3635 3.9816 3.9816 4.1471 4.1471 11.3326 11.3326 12.6476 12.6476 13.2671 13.2671 14.1743 14.1743 k = 0.6020 0.0654-0.4763 ( 11804 PWs) bands (ev): -40.6423 -40.6423 -20.4434 -20.4434 -20.1500 -20.1500 -20.0959 -20.0959 -19.8791 -19.8791 -19.7569 -19.7569 -19.7060 -19.7060 -6.0851 -6.0851 -5.9538 -5.9538 -4.7390 -4.7390 -4.6655 -4.6655 -4.2006 -4.2006 -4.0666 -4.0666 -2.4671 -2.4671 -2.0983 -2.0983 -1.9311 -1.9311 -1.1440 -1.1440 -0.9361 -0.9361 -0.7749 -0.7749 -0.4742 -0.4742 -0.3430 -0.3430 -0.1527 -0.1527 0.0232 0.0232 0.1080 0.1080 0.1809 0.1809 0.6709 0.6709 0.9490 0.9490 1.3686 1.3686 3.9790 3.9790 4.1513 4.1513 11.3420 11.3420 12.6186 12.6186 13.3276 13.3276 14.1478 14.1478 k = 0.5942 0.0804-0.4763 ( 11814 PWs) bands (ev): -40.6423 -40.6423 -20.4437 -20.4437 -20.1496 -20.1496 -20.0937 -20.0937 -19.8802 -19.8802 -19.7565 -19.7565 -19.7077 -19.7077 -6.0881 -6.0881 -5.9515 -5.9515 -4.7418 -4.7418 -4.6623 -4.6623 -4.1975 -4.1975 -4.0607 -4.0607 -2.4689 -2.4689 -2.1053 -2.1053 -1.9282 -1.9282 -1.1556 -1.1556 -0.9439 -0.9439 -0.7696 -0.7696 -0.4614 -0.4614 -0.3403 -0.3403 -0.1487 -0.1487 0.0202 0.0202 0.1050 0.1050 0.1825 0.1825 0.6591 0.6591 0.9490 0.9490 1.3736 1.3736 3.9765 3.9765 4.1554 4.1554 11.3489 11.3489 12.5913 12.5913 13.3914 13.3914 14.1234 14.1234 k = 0.5863 0.0954-0.4763 ( 11800 PWs) bands (ev): -40.6423 -40.6423 -20.4443 -20.4443 -20.1492 -20.1492 -20.0915 -20.0915 -19.8813 -19.8813 -19.7561 -19.7561 -19.7092 -19.7092 -6.0908 -6.0908 -5.9493 -5.9493 -4.7445 -4.7445 -4.6591 -4.6591 -4.1945 -4.1945 -4.0549 -4.0549 -2.4712 -2.4712 -2.1125 -2.1125 -1.9251 -1.9251 -1.1666 -1.1666 -0.9512 -0.9512 -0.7647 -0.7647 -0.4504 -0.4504 -0.3341 -0.3341 -0.1442 -0.1442 0.0171 0.0171 0.1017 0.1017 0.1841 0.1841 0.6460 0.6460 0.9491 0.9491 1.3783 1.3783 3.9743 3.9743 4.1593 4.1593 11.3535 11.3535 12.5659 12.5659 13.4571 13.4571 14.1015 14.1015 k = 0.5785 0.1105-0.4763 ( 11788 PWs) bands (ev): -40.6423 -40.6423 -20.4449 -20.4449 -20.1489 -20.1489 -20.0893 -20.0893 -19.8824 -19.8824 -19.7558 -19.7558 -19.7105 -19.7105 -6.0934 -6.0934 -5.9472 -5.9472 -4.7473 -4.7473 -4.6560 -4.6560 -4.1916 -4.1916 -4.0493 -4.0493 -2.4738 -2.4738 -2.1199 -2.1199 -1.9220 -1.9220 -1.1767 -1.1767 -0.9579 -0.9579 -0.7601 -0.7601 -0.4421 -0.4421 -0.3239 -0.3239 -0.1394 -0.1394 0.0139 0.0139 0.0980 0.0980 0.1856 0.1856 0.6319 0.6319 0.9495 0.9495 1.3827 1.3827 3.9723 3.9723 4.1629 4.1629 11.3565 11.3565 12.5425 12.5425 13.5237 13.5237 14.0823 14.0823 k = 0.5706 0.1255-0.4763 ( 11810 PWs) bands (ev): -40.6423 -40.6423 -20.4455 -20.4455 -20.1485 -20.1485 -20.0871 -20.0871 -19.8835 -19.8835 -19.7557 -19.7557 -19.7115 -19.7115 -6.0959 -6.0959 -5.9453 -5.9453 -4.7499 -4.7499 -4.6531 -4.6531 -4.1889 -4.1889 -4.0439 -4.0439 -2.4767 -2.4767 -2.1271 -2.1271 -1.9190 -1.9190 -1.1861 -1.1861 -0.9641 -0.9641 -0.7560 -0.7560 -0.4367 -0.4367 -0.3099 -0.3099 -0.1345 -0.1345 0.0107 0.0107 0.0942 0.0942 0.1869 0.1869 0.6169 0.6169 0.9500 0.9500 1.3868 1.3868 3.9704 3.9704 4.1663 4.1663 11.3582 11.3582 12.5212 12.5212 13.5897 13.5897 14.0662 14.0662 k = 0.5628 0.1406-0.4763 ( 11808 PWs) bands (ev): -40.6423 -40.6423 -20.4462 -20.4462 -20.1481 -20.1481 -20.0851 -20.0851 -19.8846 -19.8846 -19.7556 -19.7556 -19.7123 -19.7123 -6.0981 -6.0981 -5.9435 -5.9435 -4.7524 -4.7524 -4.6504 -4.6504 -4.1863 -4.1863 -4.0389 -4.0389 -2.4798 -2.4798 -2.1338 -2.1338 -1.9162 -1.9162 -1.1947 -1.1947 -0.9695 -0.9695 -0.7524 -0.7524 -0.4339 -0.4339 -0.2931 -0.2931 -0.1293 -0.1293 0.0074 0.0074 0.0904 0.0904 0.1881 0.1881 0.6016 0.6016 0.9507 0.9507 1.3906 1.3906 3.9688 3.9688 4.1694 4.1694 11.3589 11.3589 12.5020 12.5020 13.6536 13.6536 14.0538 14.0538 k = 0.5549 0.1556-0.4763 ( 11800 PWs) bands (ev): -40.6423 -40.6423 -20.4469 -20.4469 -20.1478 -20.1478 -20.0832 -20.0832 -19.8856 -19.8856 -19.7557 -19.7557 -19.7129 -19.7129 -6.1001 -6.1001 -5.9420 -5.9420 -4.7547 -4.7547 -4.6480 -4.6480 -4.1840 -4.1840 -4.0342 -4.0342 -2.4829 -2.4829 -2.1401 -2.1401 -1.9136 -1.9136 -1.2023 -1.2023 -0.9743 -0.9743 -0.7493 -0.7493 -0.4328 -0.4328 -0.2747 -0.2747 -0.1241 -0.1241 0.0041 0.0041 0.0866 0.0866 0.1892 0.1892 0.5863 0.5863 0.9513 0.9513 1.3941 1.3941 3.9674 3.9674 4.1722 4.1722 11.3589 11.3589 12.4850 12.4850 13.7133 13.7133 14.0461 14.0461 k = 0.5471 0.1706-0.4763 ( 11802 PWs) bands (ev): -40.6423 -40.6423 -20.4476 -20.4476 -20.1475 -20.1475 -20.0814 -20.0814 -19.8866 -19.8866 -19.7558 -19.7558 -19.7133 -19.7133 -6.1018 -6.1018 -5.9406 -5.9406 -4.7568 -4.7568 -4.6458 -4.6458 -4.1818 -4.1818 -4.0300 -4.0300 -2.4859 -2.4859 -2.1457 -2.1457 -1.9113 -1.9113 -1.2090 -1.2090 -0.9784 -0.9784 -0.7466 -0.7466 -0.4328 -0.4328 -0.2562 -0.2562 -0.1188 -0.1188 0.0008 0.0008 0.0831 0.0831 0.1900 0.1900 0.5714 0.5714 0.9520 0.9520 1.3971 1.3971 3.9662 3.9662 4.1746 4.1746 11.3585 11.3585 12.4702 12.4702 13.7661 13.7661 14.0444 14.0444 k = 0.5392 0.1857-0.4763 ( 11802 PWs) bands (ev): -40.6423 -40.6423 -20.4482 -20.4482 -20.1472 -20.1472 -20.0799 -20.0799 -19.8874 -19.8874 -19.7560 -19.7560 -19.7136 -19.7136 -6.1033 -6.1033 -5.9394 -5.9394 -4.7586 -4.7586 -4.6439 -4.6439 -4.1800 -4.1800 -4.0263 -4.0263 -2.4887 -2.4887 -2.1505 -2.1505 -1.9093 -1.9093 -1.2148 -1.2148 -0.9818 -0.9818 -0.7443 -0.7443 -0.4333 -0.4333 -0.2386 -0.2386 -0.1137 -0.1137 -0.0023 -0.0023 0.0799 0.0799 0.1907 0.1907 0.5575 0.5575 0.9527 0.9527 1.3997 1.3997 3.9651 3.9651 4.1767 4.1767 11.3578 11.3578 12.4576 12.4576 13.8090 13.8090 14.0500 14.0500 k = 0.5314 0.2007-0.4763 ( 11802 PWs) bands (ev): -40.6423 -40.6423 -20.4487 -20.4487 -20.1470 -20.1470 -20.0786 -20.0786 -19.8881 -19.8881 -19.7562 -19.7562 -19.7137 -19.7137 -6.1046 -6.1046 -5.9385 -5.9385 -4.7601 -4.7601 -4.6423 -4.6423 -4.1784 -4.1784 -4.0233 -4.0233 -2.4912 -2.4912 -2.1546 -2.1546 -1.9076 -1.9076 -1.2195 -1.2195 -0.9846 -0.9846 -0.7425 -0.7425 -0.4341 -0.4341 -0.2228 -0.2228 -0.1089 -0.1089 -0.0052 -0.0052 0.0772 0.0772 0.1911 0.1911 0.5450 0.5450 0.9533 0.9533 1.4019 1.4019 3.9643 3.9643 4.1785 4.1785 11.3571 11.3571 12.4473 12.4473 13.8401 13.8401 14.0633 14.0633 k = 0.5235 0.2158-0.4763 ( 11796 PWs) bands (ev): -40.6423 -40.6423 -20.4492 -20.4492 -20.1468 -20.1468 -20.0775 -20.0775 -19.8887 -19.8887 -19.7564 -19.7564 -19.7138 -19.7138 -6.1056 -6.1056 -5.9377 -5.9377 -4.7613 -4.7613 -4.6411 -4.6411 -4.1772 -4.1772 -4.0208 -4.0208 -2.4932 -2.4932 -2.1577 -2.1577 -1.9063 -1.9063 -1.2233 -1.2233 -0.9868 -0.9868 -0.7411 -0.7411 -0.4349 -0.4349 -0.2097 -0.2097 -0.1045 -0.1045 -0.0078 -0.0078 0.0749 0.0749 0.1915 0.1915 0.5346 0.5346 0.9538 0.9538 1.4036 1.4036 3.9636 3.9636 4.1798 4.1798 11.3564 11.3564 12.4393 12.4393 13.8596 13.8596 14.0817 14.0817 k = 0.5157 0.2308-0.4763 ( 11794 PWs) bands (ev): -40.6423 -40.6423 -20.4495 -20.4495 -20.1467 -20.1467 -20.0767 -20.0767 -19.8891 -19.8891 -19.7565 -19.7565 -19.7138 -19.7138 -6.1063 -6.1063 -5.9372 -5.9372 -4.7621 -4.7621 -4.6402 -4.6402 -4.1763 -4.1763 -4.0190 -4.0190 -2.4947 -2.4947 -2.1600 -2.1600 -1.9054 -1.9054 -1.2259 -1.2259 -0.9883 -0.9883 -0.7401 -0.7401 -0.4355 -0.4355 -0.1999 -0.1999 -0.1010 -0.1010 -0.0099 -0.0099 0.0733 0.0733 0.1917 0.1917 0.5268 0.5268 0.9541 0.9541 1.4048 1.4048 3.9632 3.9632 4.1808 4.1808 11.3558 11.3558 12.4336 12.4336 13.8705 13.8705 14.1002 14.1002 k = 0.5078 0.2458-0.4763 ( 11780 PWs) bands (ev): -40.6423 -40.6423 -20.4497 -20.4497 -20.1466 -20.1466 -20.0763 -20.0763 -19.8894 -19.8894 -19.7567 -19.7567 -19.7138 -19.7138 -6.1067 -6.1067 -5.9368 -5.9368 -4.7626 -4.7626 -4.6397 -4.6397 -4.1757 -4.1757 -4.0180 -4.0180 -2.4957 -2.4957 -2.1614 -2.1614 -1.9048 -1.9048 -1.2276 -1.2276 -0.9892 -0.9892 -0.7395 -0.7395 -0.4359 -0.4359 -0.1939 -0.1939 -0.0987 -0.0987 -0.0112 -0.0112 0.0723 0.0723 0.1918 0.1918 0.5219 0.5219 0.9544 0.9544 1.4055 1.4055 3.9629 3.9629 4.1814 4.1814 11.3554 11.3554 12.4301 12.4301 13.8757 13.8757 14.1136 14.1136 k = 0.5000 0.2609-0.4763 ( 11772 PWs) bands (ev): -40.6423 -40.6423 -20.4498 -20.4498 -20.1466 -20.1466 -20.0761 -20.0761 -19.8895 -19.8895 -19.7567 -19.7567 -19.7138 -19.7138 -6.1069 -6.1069 -5.9367 -5.9367 -4.7628 -4.7628 -4.6395 -4.6395 -4.1755 -4.1755 -4.0176 -4.0176 -2.4960 -2.4960 -2.1618 -2.1618 -1.9046 -1.9046 -1.2281 -1.2281 -0.9895 -0.9895 -0.7393 -0.7393 -0.4361 -0.4361 -0.1919 -0.1919 -0.0979 -0.0979 -0.0117 -0.0117 0.0719 0.0719 0.1918 0.1918 0.5202 0.5202 0.9544 0.9544 1.4058 1.4058 3.9628 3.9628 4.1816 4.1816 11.3553 11.3553 12.4290 12.4290 13.8773 13.8773 14.1185 14.1185 k = 0.5000 0.2609-0.4763 ( 11772 PWs) bands (ev): -40.6423 -40.6423 -20.4498 -20.4498 -20.1466 -20.1466 -20.0761 -20.0761 -19.8895 -19.8895 -19.7567 -19.7567 -19.7138 -19.7138 -6.1069 -6.1069 -5.9367 -5.9367 -4.7628 -4.7628 -4.6395 -4.6395 -4.1755 -4.1755 -4.0176 -4.0176 -2.4960 -2.4960 -2.1618 -2.1618 -1.9046 -1.9046 -1.2281 -1.2281 -0.9895 -0.9895 -0.7393 -0.7393 -0.4361 -0.4361 -0.1919 -0.1919 -0.0979 -0.0979 -0.0117 -0.0117 0.0719 0.0719 0.1918 0.1918 0.5202 0.5202 0.9544 0.9544 1.4058 1.4058 3.9628 3.9628 4.1816 4.1816 11.3553 11.3553 12.4290 12.4290 13.8773 13.8773 14.1185 14.1185 k = 0.5095 0.2659-0.4636 ( 11784 PWs) bands (ev): -40.6423 -40.6423 -20.4497 -20.4497 -20.1466 -20.1466 -20.0762 -20.0762 -19.8894 -19.8894 -19.7566 -19.7566 -19.7138 -19.7138 -6.1066 -6.1066 -5.9369 -5.9369 -4.7628 -4.7628 -4.6396 -4.6396 -4.1757 -4.1757 -4.0176 -4.0176 -2.4956 -2.4956 -2.1614 -2.1614 -1.9048 -1.9048 -1.2274 -1.2274 -0.9891 -0.9891 -0.7394 -0.7394 -0.4363 -0.4363 -0.1923 -0.1923 -0.1008 -0.1008 -0.0104 -0.0104 0.0720 0.0720 0.1916 0.1916 0.5213 0.5213 0.9549 0.9549 1.4056 1.4056 3.9630 3.9630 4.1811 4.1811 11.3552 11.3552 12.4304 12.4304 13.8713 13.8713 14.1148 14.1148 k = 0.5191 0.2708-0.4508 ( 11780 PWs) bands (ev): -40.6423 -40.6423 -20.4497 -20.4497 -20.1467 -20.1467 -20.0767 -20.0767 -19.8891 -19.8891 -19.7565 -19.7565 -19.7138 -19.7138 -6.1060 -6.1060 -5.9375 -5.9375 -4.7630 -4.7630 -4.6400 -4.6400 -4.1763 -4.1763 -4.0178 -4.0178 -2.4945 -2.4945 -2.1603 -2.1603 -1.9052 -1.9052 -1.2254 -1.2254 -0.9877 -0.9877 -0.7397 -0.7397 -0.4369 -0.4369 -0.1934 -0.1934 -0.1092 -0.1092 -0.0071 -0.0071 0.0722 0.0722 0.1911 0.1911 0.5245 0.5245 0.9561 0.9561 1.4050 1.4050 3.9637 3.9637 4.1795 4.1795 11.3547 11.3547 12.4345 12.4345 13.8529 13.8529 14.1060 14.1060 k = 0.5286 0.2758-0.4381 ( 11778 PWs) bands (ev): -40.6423 -40.6423 -20.4496 -20.4496 -20.1469 -20.1469 -20.0774 -20.0774 -19.8886 -19.8886 -19.7562 -19.7562 -19.7137 -19.7137 -6.1048 -6.1048 -5.9384 -5.9384 -4.7632 -4.7632 -4.6407 -4.6407 -4.1773 -4.1773 -4.0181 -4.0181 -2.4927 -2.4927 -2.1583 -2.1583 -1.9060 -1.9060 -1.2220 -1.2220 -0.9855 -0.9855 -0.7402 -0.7402 -0.4380 -0.4380 -0.1955 -0.1955 -0.1217 -0.1217 -0.0025 -0.0025 0.0725 0.0725 0.1902 0.1902 0.5295 0.5295 0.9582 0.9582 1.4041 1.4041 3.9650 3.9650 4.1768 4.1768 11.3537 11.3537 12.4413 12.4413 13.8212 13.8212 14.0970 14.0970 k = 0.5381 0.2808-0.4254 ( 11782 PWs) bands (ev): -40.6423 -40.6423 -20.4495 -20.4495 -20.1472 -20.1472 -20.0784 -20.0784 -19.8879 -19.8879 -19.7558 -19.7558 -19.7136 -19.7136 -6.1033 -6.1033 -5.9397 -5.9397 -4.7635 -4.7635 -4.6416 -4.6416 -4.1787 -4.1787 -4.0185 -4.0185 -2.4903 -2.4903 -2.1555 -2.1555 -1.9070 -1.9070 -1.2173 -1.2173 -0.9824 -0.9824 -0.7408 -0.7408 -0.4394 -0.4394 -0.1987 -0.1987 -0.1370 -0.1370 0.0028 0.0028 0.0729 0.0729 0.1889 0.1889 0.5361 0.5361 0.9610 0.9610 1.4028 1.4028 3.9666 3.9666 4.1731 4.1731 11.3523 11.3523 12.4507 12.4507 13.7768 13.7768 14.0917 14.0917 k = 0.5476 0.2857-0.4127 ( 11795 PWs) bands (ev): -40.6423 -40.6423 -20.4493 -20.4493 -20.1475 -20.1475 -20.0796 -20.0796 -19.8870 -19.8870 -19.7554 -19.7554 -19.7134 -19.7134 -6.1013 -6.1013 -5.9414 -5.9414 -4.7638 -4.7638 -4.6427 -4.6427 -4.1805 -4.1805 -4.0190 -4.0190 -2.4874 -2.4874 -2.1519 -2.1519 -1.9083 -1.9083 -1.2113 -1.2113 -0.9786 -0.9786 -0.7415 -0.7415 -0.4413 -0.4413 -0.2039 -0.2039 -0.1535 -0.1535 0.0082 0.0082 0.0735 0.0735 0.1872 0.1872 0.5439 0.5439 0.9645 0.9645 1.4012 1.4012 3.9688 3.9688 4.1684 4.1684 11.3500 11.3500 12.4629 12.4629 13.7224 13.7224 14.0916 14.0916 k = 0.5572 0.2907-0.3999 ( 11793 PWs) bands (ev): -40.6423 -40.6423 -20.4492 -20.4492 -20.1478 -20.1478 -20.0811 -20.0811 -19.8861 -19.8861 -19.7550 -19.7550 -19.7130 -19.7130 -6.0990 -6.0990 -5.9434 -5.9434 -4.7642 -4.7642 -4.6441 -4.6441 -4.1826 -4.1826 -4.0196 -4.0196 -2.4843 -2.4843 -2.1475 -2.1475 -1.9098 -1.9098 -1.2039 -1.2039 -0.9741 -0.9741 -0.7423 -0.7423 -0.4436 -0.4436 -0.2125 -0.2125 -0.1688 -0.1688 0.0135 0.0135 0.0743 0.0743 0.1851 0.1851 0.5526 0.5526 0.9685 0.9685 1.3993 1.3993 3.9713 3.9713 4.1628 4.1628 11.3469 11.3469 12.4776 12.4776 13.6611 13.6611 14.0965 14.0965 k = 0.5667 0.2957-0.3872 ( 11801 PWs) bands (ev): -40.6423 -40.6423 -20.4492 -20.4492 -20.1481 -20.1481 -20.0828 -20.0828 -19.8849 -19.8849 -19.7547 -19.7547 -19.7125 -19.7125 -6.0962 -6.0962 -5.9457 -5.9457 -4.7646 -4.7646 -4.6457 -4.6457 -4.1851 -4.1851 -4.0202 -4.0202 -2.4810 -2.4810 -2.1423 -2.1423 -1.9115 -1.9115 -1.1953 -1.1953 -0.9690 -0.9690 -0.7431 -0.7431 -0.4463 -0.4463 -0.2266 -0.2266 -0.1802 -0.1802 0.0185 0.0185 0.0752 0.0752 0.1826 0.1826 0.5617 0.5617 0.9730 0.9730 1.3971 1.3971 3.9743 3.9743 4.1563 4.1563 11.3425 11.3425 12.4948 12.4948 13.5960 13.5960 14.1057 14.1057 k = 0.5762 0.3007-0.3745 ( 11805 PWs) bands (ev): -40.6423 -40.6423 -20.4492 -20.4492 -20.1484 -20.1484 -20.0847 -20.0847 -19.8837 -19.8837 -19.7544 -19.7544 -19.7117 -19.7117 -6.0931 -6.0931 -5.9484 -5.9484 -4.7651 -4.7651 -4.6474 -4.6474 -4.1879 -4.1879 -4.0209 -4.0209 -2.4777 -2.4777 -2.1365 -2.1365 -1.9133 -1.9133 -1.1855 -1.1855 -0.9634 -0.9634 -0.7436 -0.7436 -0.4493 -0.4493 -0.2459 -0.2459 -0.1875 -0.1875 0.0232 0.0232 0.0765 0.0765 0.1797 0.1797 0.5711 0.5711 0.9779 0.9779 1.3947 1.3947 3.9777 3.9777 4.1491 4.1491 11.3364 11.3364 12.5145 12.5145 13.5294 13.5294 14.1186 14.1186 k = 0.5858 0.3056-0.3618 ( 11812 PWs) bands (ev): -40.6423 -40.6423 -20.4493 -20.4493 -20.1487 -20.1487 -20.0867 -20.0867 -19.8824 -19.8824 -19.7542 -19.7542 -19.7107 -19.7107 -6.0897 -6.0897 -5.9513 -5.9513 -4.7655 -4.7655 -4.6493 -4.6493 -4.1910 -4.1910 -4.0216 -4.0216 -2.4746 -2.4746 -2.1300 -2.1300 -1.9152 -1.9152 -1.1745 -1.1745 -0.9576 -0.9576 -0.7439 -0.7439 -0.4528 -0.4528 -0.2681 -0.2681 -0.1923 -0.1923 0.0274 0.0274 0.0781 0.0781 0.1765 0.1765 0.5803 0.5803 0.9829 0.9829 1.3920 1.3920 3.9815 3.9815 4.1412 4.1412 11.3284 11.3284 12.5365 12.5365 13.4633 13.4633 14.1346 14.1346 k = 0.5953 0.3106-0.3490 ( 11818 PWs) bands (ev): -40.6423 -40.6423 -20.4495 -20.4495 -20.1488 -20.1488 -20.0888 -20.0888 -19.8811 -19.8811 -19.7541 -19.7541 -19.7094 -19.7094 -6.0860 -6.0860 -5.9545 -5.9545 -4.7660 -4.7660 -4.6514 -4.6514 -4.1944 -4.1944 -4.0224 -4.0224 -2.4720 -2.4720 -2.1230 -2.1230 -1.9171 -1.9171 -1.1623 -1.1623 -0.9516 -0.9516 -0.7436 -0.7436 -0.4565 -0.4565 -0.2916 -0.2916 -0.1957 -0.1957 0.0309 0.0309 0.0801 0.0801 0.1729 0.1729 0.5894 0.5894 0.9880 0.9880 1.3892 1.3892 3.9857 3.9857 4.1327 4.1327 11.3180 11.3180 12.5608 12.5608 13.3990 13.3990 14.1534 14.1534 k = 0.6048 0.3156-0.3363 ( 11815 PWs) bands (ev): -40.6423 -40.6423 -20.4499 -20.4499 -20.1489 -20.1489 -20.0910 -20.0910 -19.8797 -19.8797 -19.7542 -19.7542 -19.7078 -19.7078 -6.0820 -6.0820 -5.9579 -5.9579 -4.7665 -4.7665 -4.6535 -4.6535 -4.1981 -4.1981 -4.0231 -4.0231 -2.4698 -2.4698 -2.1157 -2.1157 -1.9189 -1.9189 -1.1490 -1.1490 -0.9458 -0.9458 -0.7425 -0.7425 -0.4606 -0.4606 -0.3153 -0.3153 -0.1983 -0.1983 0.0336 0.0336 0.0824 0.0824 0.1690 0.1690 0.5980 0.5980 0.9928 0.9928 1.3862 1.3862 3.9901 3.9901 4.1238 4.1238 11.3046 11.3046 12.5872 12.5872 13.3379 13.3379 14.1748 14.1748 k = 0.6143 0.3205-0.3236 ( 11825 PWs) bands (ev): -40.6423 -40.6423 -20.4506 -20.4506 -20.1488 -20.1488 -20.0934 -20.0934 -19.8784 -19.8784 -19.7544 -19.7544 -19.7060 -19.7060 -6.0777 -6.0777 -5.9614 -5.9614 -4.7669 -4.7669 -4.6558 -4.6558 -4.2019 -4.2019 -4.0240 -4.0240 -2.4682 -2.4682 -2.1083 -2.1083 -1.9206 -1.9206 -1.1347 -1.1347 -0.9403 -0.9403 -0.7404 -0.7404 -0.4650 -0.4650 -0.3387 -0.3387 -0.2004 -0.2004 0.0356 0.0356 0.0852 0.0852 0.1648 0.1648 0.6062 0.6062 0.9974 0.9974 1.3832 1.3832 3.9948 3.9948 4.1145 4.1145 11.2878 11.2878 12.6157 12.6157 13.2810 13.2810 14.1987 14.1987 k = 0.6239 0.3255-0.3109 ( 11825 PWs) bands (ev): -40.6423 -40.6423 -20.4514 -20.4514 -20.1486 -20.1486 -20.0957 -20.0957 -19.8770 -19.8770 -19.7547 -19.7547 -19.7038 -19.7038 -6.0733 -6.0733 -5.9652 -5.9652 -4.7673 -4.7673 -4.6582 -4.6582 -4.2060 -4.2060 -4.0248 -4.0248 -2.4673 -2.4673 -2.1010 -2.1010 -1.9219 -1.9219 -1.1194 -1.1194 -0.9353 -0.9353 -0.7371 -0.7371 -0.4696 -0.4696 -0.3613 -0.3613 -0.2019 -0.2019 0.0367 0.0367 0.0883 0.0883 0.1604 0.1604 0.6139 0.6139 1.0014 1.0014 1.3800 1.3800 3.9997 3.9997 4.1051 4.1051 11.2671 11.2671 12.6460 12.6460 13.2292 13.2292 14.2248 14.2248 k = 0.6334 0.3305-0.2981 ( 11820 PWs) bands (ev): -40.6423 -40.6423 -20.4526 -20.4526 -20.1482 -20.1482 -20.0981 -20.0981 -19.8757 -19.8757 -19.7550 -19.7550 -19.7015 -19.7015 -6.0687 -6.0687 -5.9690 -5.9690 -4.7677 -4.7677 -4.6606 -4.6606 -4.2103 -4.2103 -4.0258 -4.0258 -2.4670 -2.4670 -2.0942 -2.0942 -1.9229 -1.9229 -1.1032 -1.1032 -0.9310 -0.9310 -0.7321 -0.7321 -0.4744 -0.4744 -0.3827 -0.3827 -0.2030 -0.2030 0.0370 0.0370 0.0915 0.0915 0.1559 0.1559 0.6210 0.6210 1.0047 1.0047 1.3769 1.3769 4.0048 4.0048 4.0956 4.0956 11.2420 11.2420 12.6779 12.6779 13.1834 13.1834 14.2532 14.2532 k = 0.6334 0.3305-0.2981 ( 11820 PWs) bands (ev): -40.6423 -40.6423 -20.4526 -20.4526 -20.1482 -20.1482 -20.0981 -20.0981 -19.8757 -19.8757 -19.7550 -19.7550 -19.7015 -19.7015 -6.0687 -6.0687 -5.9690 -5.9690 -4.7677 -4.7677 -4.6606 -4.6606 -4.2103 -4.2103 -4.0258 -4.0258 -2.4670 -2.4670 -2.0942 -2.0942 -1.9229 -1.9229 -1.1032 -1.1032 -0.9310 -0.9310 -0.7321 -0.7321 -0.4744 -0.4744 -0.3827 -0.3827 -0.2030 -0.2030 0.0370 0.0370 0.0915 0.0915 0.1559 0.1559 0.6210 0.6210 1.0047 1.0047 1.3769 1.3769 4.0048 4.0048 4.0956 4.0956 11.2420 11.2420 12.6779 12.6779 13.1834 13.1834 14.2532 14.2532 k = 0.6290 0.3282-0.2823 ( 11822 PWs) bands (ev): -40.6423 -40.6423 -20.4537 -20.4537 -20.1479 -20.1479 -20.0989 -20.0989 -19.8749 -19.8749 -19.7554 -19.7554 -19.7002 -19.7002 -6.0666 -6.0666 -5.9710 -5.9710 -4.7664 -4.7664 -4.6625 -4.6625 -4.2132 -4.2132 -4.0234 -4.0234 -2.4636 -2.4636 -2.0904 -2.0904 -1.9232 -1.9232 -1.0864 -1.0864 -0.9305 -0.9305 -0.7342 -0.7342 -0.4818 -0.4818 -0.4020 -0.4020 -0.2034 -0.2034 0.0372 0.0372 0.0937 0.0937 0.1502 0.1502 0.6324 0.6324 1.0041 1.0041 1.3766 1.3766 4.0049 4.0049 4.0919 4.0919 11.2180 11.2180 12.7038 12.7038 13.1492 13.1492 14.2819 14.2819 k = 0.6245 0.3258-0.2664 ( 11806 PWs) bands (ev): -40.6423 -40.6423 -20.4554 -20.4554 -20.1474 -20.1474 -20.0996 -20.0996 -19.8741 -19.8741 -19.7556 -19.7556 -19.6987 -19.6987 -6.0645 -6.0645 -5.9731 -5.9731 -4.7651 -4.7651 -4.6646 -4.6646 -4.2166 -4.2166 -4.0212 -4.0212 -2.4603 -2.4603 -2.0869 -2.0869 -1.9239 -1.9239 -1.0689 -1.0689 -0.9280 -0.9280 -0.7356 -0.7356 -0.4900 -0.4900 -0.4204 -0.4204 -0.2035 -0.2035 0.0364 0.0364 0.0955 0.0955 0.1448 0.1448 0.6440 0.6440 1.0028 1.0028 1.3759 1.3759 4.0051 4.0051 4.0884 4.0884 11.1854 11.1854 12.7227 12.7227 13.1329 13.1329 14.3142 14.3142 k = 0.6201 0.3235-0.2505 ( 11800 PWs) bands (ev): -40.6423 -40.6423 -20.4576 -20.4576 -20.1469 -20.1469 -20.1003 -20.1003 -19.8735 -19.8735 -19.7555 -19.7555 -19.6969 -19.6969 -6.0623 -6.0623 -5.9751 -5.9751 -4.7638 -4.7638 -4.6670 -4.6670 -4.2203 -4.2203 -4.0192 -4.0192 -2.4571 -2.4571 -2.0837 -2.0837 -1.9250 -1.9250 -1.0517 -1.0517 -0.9227 -0.9227 -0.7363 -0.7363 -0.4996 -0.4996 -0.4373 -0.4373 -0.2033 -0.2033 0.0342 0.0342 0.0969 0.0969 0.1401 0.1401 0.6559 0.6559 1.0007 1.0007 1.3746 1.3746 4.0052 4.0052 4.0851 4.0851 11.1458 11.1458 12.7261 12.7261 13.1413 13.1413 14.3497 14.3497 k = 0.6156 0.3212-0.2346 ( 11811 PWs) bands (ev): -40.6423 -40.6423 -20.4601 -20.4601 -20.1462 -20.1462 -20.1010 -20.1010 -19.8732 -19.8732 -19.7550 -19.7550 -19.6950 -19.6950 -6.0601 -6.0601 -5.9770 -5.9770 -4.7625 -4.7625 -4.6695 -4.6695 -4.2243 -4.2243 -4.0172 -4.0172 -2.4541 -2.4541 -2.0808 -2.0808 -1.9264 -1.9264 -1.0358 -1.0358 -0.9138 -0.9138 -0.7362 -0.7362 -0.5110 -0.5110 -0.4518 -0.4518 -0.2028 -0.2028 0.0306 0.0306 0.0978 0.0978 0.1362 0.1362 0.6679 0.6679 0.9978 0.9978 1.3729 1.3729 4.0055 4.0055 4.0820 4.0820 11.1010 11.1010 12.7107 12.7107 13.1765 13.1765 14.3884 14.3884 k = 0.6112 0.3189-0.2187 ( 11802 PWs) bands (ev): -40.6423 -40.6423 -20.4631 -20.4631 -20.1453 -20.1453 -20.1017 -20.1017 -19.8732 -19.8732 -19.7542 -19.7542 -19.6927 -19.6927 -6.0580 -6.0580 -5.9789 -5.9789 -4.7613 -4.7613 -4.6721 -4.6721 -4.2285 -4.2285 -4.0153 -4.0153 -2.4513 -2.4513 -2.0783 -2.0783 -1.9282 -1.9282 -1.0224 -1.0224 -0.9005 -0.9005 -0.7354 -0.7354 -0.5245 -0.5245 -0.4633 -0.4633 -0.2019 -0.2019 0.0254 0.0254 0.0982 0.0982 0.1333 0.1333 0.6799 0.6799 0.9942 0.9942 1.3708 1.3708 4.0057 4.0057 4.0791 4.0791 11.0522 11.0522 12.6800 12.6800 13.2335 13.2335 14.4301 14.4301 k = 0.6067 0.3166-0.2029 ( 11806 PWs) bands (ev): -40.6423 -40.6423 -20.4664 -20.4664 -20.1444 -20.1444 -20.1023 -20.1023 -19.8736 -19.8736 -19.7530 -19.7530 -19.6903 -19.6903 -6.0560 -6.0560 -5.9806 -5.9806 -4.7603 -4.7603 -4.6748 -4.6748 -4.2328 -4.2328 -4.0134 -4.0134 -2.4487 -2.4487 -2.0762 -2.0762 -1.9305 -1.9305 -1.0119 -1.0119 -0.8826 -0.8826 -0.7339 -0.7339 -0.5397 -0.5397 -0.4719 -0.4719 -0.2006 -0.2006 0.0183 0.0183 0.0983 0.0983 0.1313 0.1313 0.6918 0.6918 0.9899 0.9899 1.3681 1.3681 4.0061 4.0061 4.0763 4.0763 11.0008 11.0008 12.6397 12.6397 13.3058 13.3058 14.4748 14.4748 k = 0.6023 0.3142-0.1870 ( 11806 PWs) bands (ev): -40.6423 -40.6423 -20.4700 -20.4700 -20.1432 -20.1432 -20.1029 -20.1029 -19.8744 -19.8744 -19.7514 -19.7514 -19.6877 -19.6877 -6.0541 -6.0541 -5.9821 -5.9821 -4.7593 -4.7593 -4.6775 -4.6775 -4.2370 -4.2370 -4.0115 -4.0115 -2.4465 -2.4465 -2.0745 -2.0745 -1.9332 -1.9332 -1.0042 -1.0042 -0.8607 -0.8607 -0.7317 -0.7317 -0.5558 -0.5558 -0.4778 -0.4778 -0.1989 -0.1989 0.0096 0.0096 0.0981 0.0981 0.1300 0.1300 0.7035 0.7035 0.9848 0.9848 1.3650 1.3650 4.0066 4.0066 4.0738 4.0738 10.9476 10.9476 12.5939 12.5939 13.3884 13.3884 14.5222 14.5222 k = 0.5978 0.3119-0.1711 ( 11804 PWs) bands (ev): -40.6423 -40.6423 -20.4739 -20.4739 -20.1420 -20.1420 -20.1034 -20.1034 -19.8757 -19.8757 -19.7494 -19.7494 -19.6849 -19.6849 -6.0524 -6.0524 -5.9834 -5.9834 -4.7584 -4.7584 -4.6802 -4.6802 -4.2411 -4.2411 -4.0096 -4.0096 -2.4447 -2.4447 -2.0731 -2.0731 -1.9363 -1.9363 -0.9986 -0.9986 -0.8361 -0.8361 -0.7289 -0.7289 -0.5719 -0.5719 -0.4814 -0.4814 -0.1967 -0.1967 -0.0006 -0.0006 0.0978 0.0978 0.1291 0.1291 0.7149 0.7149 0.9790 0.9790 1.3615 1.3615 4.0072 4.0072 4.0714 4.0714 10.8935 10.8935 12.5454 12.5454 13.4778 13.4778 14.5722 14.5722 k = 0.5934 0.3096-0.1552 ( 11797 PWs) bands (ev): -40.6423 -40.6423 -20.4780 -20.4780 -20.1406 -20.1406 -20.1038 -20.1038 -19.8775 -19.8775 -19.7471 -19.7471 -19.6820 -19.6820 -6.0511 -6.0511 -5.9845 -5.9845 -4.7578 -4.7578 -4.6829 -4.6829 -4.2450 -4.2450 -4.0078 -4.0078 -2.4432 -2.4432 -2.0721 -2.0721 -1.9399 -1.9399 -0.9946 -0.9946 -0.8101 -0.8101 -0.7256 -0.7256 -0.5871 -0.5871 -0.4827 -0.4827 -0.1942 -0.1942 -0.0122 -0.0122 0.0974 0.0974 0.1284 0.1284 0.7258 0.7258 0.9725 0.9725 1.3576 1.3576 4.0081 4.0081 4.0691 4.0691 10.8390 10.8390 12.4957 12.4957 13.5722 13.5722 14.6246 14.6246 k = 0.5889 0.3073-0.1394 ( 11792 PWs) bands (ev): -40.6423 -40.6423 -20.4822 -20.4822 -20.1390 -20.1390 -20.1042 -20.1042 -19.8797 -19.8797 -19.7445 -19.7445 -19.6789 -19.6789 -6.0500 -6.0500 -5.9853 -5.9853 -4.7573 -4.7573 -4.6855 -4.6855 -4.2487 -4.2487 -4.0059 -4.0059 -2.4422 -2.4422 -2.0714 -2.0714 -1.9438 -1.9438 -0.9916 -0.9916 -0.7841 -0.7841 -0.7218 -0.7218 -0.6006 -0.6006 -0.4817 -0.4817 -0.1912 -0.1912 -0.0247 -0.0247 0.0969 0.0969 0.1277 0.1277 0.7361 0.7361 0.9654 0.9654 1.3532 1.3532 4.0090 4.0090 4.0670 4.0670 10.7847 10.7847 12.4458 12.4458 13.6700 13.6700 14.6793 14.6793 k = 0.5845 0.3050-0.1235 ( 11791 PWs) bands (ev): -40.6423 -40.6423 -20.4865 -20.4865 -20.1373 -20.1373 -20.1046 -20.1046 -19.8822 -19.8822 -19.7417 -19.7417 -19.6757 -19.6757 -6.0493 -6.0493 -5.9859 -5.9859 -4.7569 -4.7569 -4.6881 -4.6881 -4.2520 -4.2520 -4.0041 -4.0041 -2.4416 -2.4416 -2.0711 -2.0711 -1.9480 -1.9480 -0.9896 -0.9896 -0.7599 -0.7599 -0.7177 -0.7177 -0.6114 -0.6114 -0.4778 -0.4778 -0.1878 -0.1878 -0.0380 -0.0380 0.0963 0.0963 0.1267 0.1267 0.7458 0.7458 0.9578 0.9578 1.3486 1.3486 4.0102 4.0102 4.0650 4.0650 10.7311 10.7311 12.3963 12.3963 13.7703 13.7703 14.7361 14.7361 k = 0.5800 0.3026-0.1076 ( 11781 PWs) bands (ev): -40.6423 -40.6423 -20.4909 -20.4909 -20.1355 -20.1355 -20.1048 -20.1048 -19.8852 -19.8852 -19.7387 -19.7387 -19.6724 -19.6724 -6.0490 -6.0490 -5.9861 -5.9861 -4.7567 -4.7567 -4.6907 -4.6907 -4.2549 -4.2549 -4.0022 -4.0022 -2.4414 -2.4414 -2.0710 -2.0710 -1.9526 -1.9526 -0.9883 -0.9883 -0.7401 -0.7401 -0.7128 -0.7128 -0.6183 -0.6183 -0.4705 -0.4705 -0.1842 -0.1842 -0.0518 -0.0518 0.0956 0.0956 0.1256 0.1256 0.7546 0.7546 0.9497 0.9497 1.3436 1.3436 4.0116 4.0116 4.0631 4.0631 10.6785 10.6785 12.3478 12.3478 13.8723 13.8723 14.7949 14.7949 k = 0.5756 0.3003-0.0917 ( 11786 PWs) bands (ev): -40.6423 -40.6423 -20.4953 -20.4953 -20.1336 -20.1336 -20.1050 -20.1050 -19.8884 -19.8884 -19.7357 -19.7357 -19.6691 -19.6691 -6.0490 -6.0490 -5.9861 -5.9861 -4.7566 -4.7566 -4.6932 -4.6932 -4.2574 -4.2574 -4.0003 -4.0003 -2.4417 -2.4417 -2.0711 -2.0711 -1.9574 -1.9574 -0.9878 -0.9878 -0.7285 -0.7285 -0.7051 -0.7051 -0.6203 -0.6203 -0.4592 -0.4592 -0.1803 -0.1803 -0.0659 -0.0659 0.0947 0.0947 0.1240 0.1240 0.7625 0.7625 0.9413 0.9413 1.3383 1.3383 4.0132 4.0132 4.0613 4.0613 10.6274 10.6274 12.3004 12.3004 13.9756 13.9756 14.8553 14.8553 k = 0.5711 0.2980-0.0759 ( 11781 PWs) bands (ev): -40.6423 -40.6423 -20.4997 -20.4997 -20.1316 -20.1316 -20.1052 -20.1052 -19.8919 -19.8919 -19.7325 -19.7325 -19.6657 -19.6657 -6.0494 -6.0494 -5.9858 -5.9858 -4.7567 -4.7567 -4.6956 -4.6956 -4.2595 -4.2595 -3.9984 -3.9984 -2.4424 -2.4424 -2.0715 -2.0715 -1.9623 -1.9623 -0.9881 -0.9881 -0.7257 -0.7257 -0.6944 -0.6944 -0.6177 -0.6177 -0.4434 -0.4434 -0.1765 -0.1765 -0.0797 -0.0797 0.0936 0.0936 0.1221 0.1221 0.7692 0.7692 0.9327 0.9327 1.3329 1.3329 4.0149 4.0149 4.0597 4.0597 10.5779 10.5779 12.2546 12.2546 14.0796 14.0796 14.9173 14.9173 k = 0.5667 0.2957-0.0600 ( 11784 PWs) bands (ev): -40.6423 -40.6423 -20.5040 -20.5040 -20.1295 -20.1295 -20.1053 -20.1053 -19.8956 -19.8956 -19.7294 -19.7294 -19.6624 -19.6624 -6.0501 -6.0501 -5.9852 -5.9852 -4.7568 -4.7568 -4.6980 -4.6980 -4.2611 -4.2611 -3.9965 -3.9965 -2.4435 -2.4435 -2.0722 -2.0722 -1.9673 -1.9673 -0.9892 -0.9892 -0.7275 -0.7275 -0.6839 -0.6839 -0.6122 -0.6122 -0.4228 -0.4228 -0.1732 -0.1732 -0.0928 -0.0928 0.0923 0.0923 0.1197 0.1197 0.7746 0.7746 0.9241 0.9241 1.3273 1.3273 4.0168 4.0168 4.0581 4.0581 10.5303 10.5303 12.2106 12.2106 14.1838 14.1838 14.9806 14.9806 k = 0.5623 0.2934-0.0441 ( 11787 PWs) bands (ev): -40.6423 -40.6423 -20.5082 -20.5082 -20.1274 -20.1274 -20.1054 -20.1054 -19.8994 -19.8994 -19.7263 -19.7263 -19.6591 -19.6591 -6.0510 -6.0510 -5.9846 -5.9846 -4.7571 -4.7571 -4.7002 -4.7002 -4.2623 -4.2623 -3.9946 -3.9946 -2.4450 -2.4450 -2.0730 -2.0730 -1.9723 -1.9723 -0.9911 -0.9911 -0.7312 -0.7312 -0.6740 -0.6740 -0.6058 -0.6058 -0.3981 -0.3981 -0.1710 -0.1710 -0.1043 -0.1043 0.0908 0.0908 0.1169 0.1169 0.7784 0.7784 0.9159 0.9159 1.3217 1.3217 4.0189 4.0189 4.0567 4.0567 10.4848 10.4848 12.1685 12.1685 14.2879 14.2879 15.0449 15.0449 k = 0.5578 0.2910-0.0282 ( 11788 PWs) bands (ev): -40.6423 -40.6423 -20.5122 -20.5122 -20.1252 -20.1252 -20.1055 -20.1055 -19.9033 -19.9033 -19.7233 -19.7233 -19.6558 -19.6558 -6.0521 -6.0521 -5.9837 -5.9837 -4.7574 -4.7574 -4.7024 -4.7024 -4.2632 -4.2632 -3.9927 -3.9927 -2.4467 -2.4467 -2.0741 -2.0741 -1.9771 -1.9771 -0.9939 -0.9939 -0.7354 -0.7354 -0.6643 -0.6643 -0.5997 -0.5997 -0.3701 -0.3701 -0.1715 -0.1715 -0.1127 -0.1127 0.0890 0.0890 0.1136 0.1136 0.7804 0.7804 0.9083 0.9083 1.3161 1.3161 4.0210 4.0210 4.0554 4.0554 10.4417 10.4417 12.1286 12.1286 14.3915 14.3915 15.1101 15.1101 k = 0.5534 0.2887-0.0124 ( 11788 PWs) bands (ev): -40.6423 -40.6423 -20.5161 -20.5161 -20.1229 -20.1229 -20.1055 -20.1055 -19.9072 -19.9072 -19.7205 -19.7205 -19.6526 -19.6526 -6.0533 -6.0533 -5.9828 -5.9828 -4.7578 -4.7578 -4.7045 -4.7045 -4.2637 -4.2637 -3.9909 -3.9909 -2.4488 -2.4488 -2.0755 -2.0755 -1.9816 -1.9816 -0.9974 -0.9974 -0.7393 -0.7393 -0.6547 -0.6547 -0.5944 -0.5944 -0.3399 -0.3399 -0.1759 -0.1759 -0.1165 -0.1165 0.0871 0.0871 0.1098 0.1098 0.7804 0.7804 0.9016 0.9016 1.3105 1.3105 4.0231 4.0231 4.0542 4.0542 10.4011 10.4011 12.0909 12.0909 14.4941 14.4941 15.1756 15.1756 k = 0.5489 0.2864 0.0035 ( 11794 PWs) bands (ev): -40.6423 -40.6423 -20.5198 -20.5198 -20.1207 -20.1207 -20.1055 -20.1055 -19.9110 -19.9110 -19.7178 -19.7178 -19.6496 -19.6496 -6.0547 -6.0547 -5.9819 -5.9819 -4.7582 -4.7582 -4.7065 -4.7065 -4.2638 -4.2638 -3.9891 -3.9891 -2.4510 -2.4510 -2.0770 -2.0770 -1.9858 -1.9858 -1.0015 -1.0015 -0.7427 -0.7427 -0.6450 -0.6450 -0.5899 -0.5899 -0.3085 -0.3085 -0.1841 -0.1841 -0.1157 -0.1157 0.0849 0.0849 0.1055 0.1055 0.7782 0.7782 0.8960 0.8960 1.3051 1.3051 4.0252 4.0252 4.0532 4.0532 10.3632 10.3632 12.0557 12.0557 14.5952 14.5952 15.2412 15.2412 k = 0.5445 0.2841 0.0194 ( 11792 PWs) bands (ev): -40.6423 -40.6423 -20.5233 -20.5233 -20.1185 -20.1185 -20.1054 -20.1054 -19.9148 -19.9148 -19.7152 -19.7152 -19.6467 -19.6467 -6.0560 -6.0560 -5.9810 -5.9810 -4.7586 -4.7586 -4.7083 -4.7083 -4.2637 -4.2637 -3.9874 -3.9874 -2.4534 -2.4534 -2.0788 -2.0788 -1.9897 -1.9897 -1.0060 -1.0060 -0.7455 -0.7455 -0.6353 -0.6353 -0.5861 -0.5861 -0.2770 -0.2770 -0.1943 -0.1943 -0.1118 -0.1118 0.0825 0.0825 0.1009 0.1009 0.7739 0.7739 0.8917 0.8917 1.2999 1.2999 4.0273 4.0273 4.0523 4.0523 10.3281 10.3281 12.0231 12.0231 14.6942 14.6942 15.3062 15.3062 k = 0.5400 0.2818 0.0353 ( 11794 PWs) bands (ev): -40.6423 -40.6423 -20.5265 -20.5265 -20.1163 -20.1163 -20.1054 -20.1054 -19.9185 -19.9185 -19.7129 -19.7129 -19.6440 -19.6440 -6.0574 -6.0574 -5.9800 -5.9800 -4.7591 -4.7591 -4.7100 -4.7100 -4.2634 -4.2634 -3.9857 -3.9857 -2.4558 -2.4558 -2.0807 -2.0807 -1.9931 -1.9931 -1.0109 -1.0109 -0.7476 -0.7476 -0.6255 -0.6255 -0.5829 -0.5829 -0.2475 -0.2475 -0.2041 -0.2041 -0.1059 -0.1059 0.0800 0.0800 0.0959 0.0959 0.7678 0.7678 0.8886 0.8886 1.2950 1.2950 4.0292 4.0292 4.0516 4.0516 10.2960 10.2960 11.9932 11.9932 14.7904 14.7904 15.3699 15.3699 k = 0.5356 0.2794 0.0512 ( 11796 PWs) bands (ev): -40.6423 -40.6423 -20.5294 -20.5294 -20.1143 -20.1143 -20.1054 -20.1054 -19.9219 -19.9219 -19.7108 -19.7108 -19.6414 -19.6414 -6.0588 -6.0588 -5.9792 -5.9792 -4.7595 -4.7595 -4.7115 -4.7115 -4.2630 -4.2630 -3.9842 -3.9842 -2.4582 -2.4582 -2.0827 -2.0827 -1.9960 -1.9960 -1.0158 -1.0158 -0.7490 -0.7490 -0.6160 -0.6160 -0.5801 -0.5801 -0.2307 -0.2307 -0.2023 -0.2023 -0.0989 -0.0989 0.0772 0.0772 0.0905 0.0905 0.7603 0.7603 0.8864 0.8864 1.2904 1.2904 4.0309 4.0309 4.0512 4.0512 10.2669 10.2669 11.9662 11.9662 14.8828 14.8828 15.4313 15.4313 k = 0.5311 0.2771 0.0670 ( 11792 PWs) bands (ev): -40.6423 -40.6423 -20.5320 -20.5320 -20.1123 -20.1123 -20.1053 -20.1053 -19.9251 -19.9251 -19.7089 -19.7089 -19.6392 -19.6392 -6.0600 -6.0600 -5.9784 -5.9784 -4.7600 -4.7600 -4.7128 -4.7128 -4.2624 -4.2624 -3.9827 -3.9827 -2.4605 -2.4605 -2.0848 -2.0848 -1.9984 -1.9984 -1.0206 -1.0206 -0.7500 -0.7500 -0.6068 -0.6068 -0.5777 -0.5777 -0.2365 -0.2365 -0.1792 -0.1792 -0.0912 -0.0912 0.0743 0.0743 0.0850 0.0850 0.7519 0.7519 0.8851 0.8851 1.2863 1.2863 4.0323 4.0323 4.0509 4.0509 10.2410 10.2410 11.9420 11.9420 14.9704 14.9704 15.4892 15.4892 k = 0.5267 0.2748 0.0829 ( 11798 PWs) bands (ev): -40.6423 -40.6423 -20.5343 -20.5343 -20.1105 -20.1105 -20.1052 -20.1052 -19.9281 -19.9281 -19.7073 -19.7073 -19.6371 -19.6371 -6.0612 -6.0612 -5.9776 -5.9776 -4.7604 -4.7604 -4.7140 -4.7140 -4.2618 -4.2618 -3.9815 -3.9815 -2.4627 -2.4627 -2.0868 -2.0868 -2.0004 -2.0004 -1.0252 -1.0252 -0.7506 -0.7506 -0.5981 -0.5981 -0.5755 -0.5755 -0.2464 -0.2464 -0.1534 -0.1534 -0.0832 -0.0832 0.0711 0.0711 0.0794 0.0794 0.7431 0.7431 0.8843 0.8843 1.2826 1.2826 4.0334 4.0334 4.0509 4.0509 10.2184 10.2184 11.9209 11.9209 15.0513 15.0513 15.5430 15.5430 k = 0.5222 0.2725 0.0988 ( 11801 PWs) bands (ev): -40.6423 -40.6423 -20.5363 -20.5363 -20.1089 -20.1089 -20.1052 -20.1052 -19.9306 -19.9306 -19.7058 -19.7058 -19.6354 -19.6354 -6.0622 -6.0622 -5.9770 -5.9770 -4.7608 -4.7608 -4.7149 -4.7149 -4.2612 -4.2612 -3.9803 -3.9803 -2.4646 -2.4646 -2.0888 -2.0888 -2.0020 -2.0020 -1.0292 -1.0292 -0.7510 -0.7510 -0.5902 -0.5902 -0.5738 -0.5738 -0.2561 -0.2561 -0.1298 -0.1298 -0.0750 -0.0750 0.0678 0.0678 0.0740 0.0740 0.7345 0.7345 0.8839 0.8839 1.2794 1.2794 4.0342 4.0342 4.0511 4.0511 10.1992 10.1992 11.9029 11.9029 15.1238 15.1238 15.5935 15.5935 k = 0.5178 0.2702 0.1147 ( 11799 PWs) bands (ev): -40.6423 -40.6423 -20.5379 -20.5379 -20.1076 -20.1076 -20.1051 -20.1051 -19.9328 -19.9328 -19.7047 -19.7047 -19.6339 -19.6339 -6.0630 -6.0630 -5.9765 -5.9765 -4.7612 -4.7612 -4.7157 -4.7157 -4.2607 -4.2607 -3.9794 -3.9794 -2.4663 -2.4663 -2.0905 -2.0905 -2.0032 -2.0032 -1.0328 -1.0328 -0.7511 -0.7511 -0.5832 -0.5832 -0.5723 -0.5723 -0.2647 -0.2647 -0.1095 -0.1095 -0.0667 -0.0667 0.0643 0.0643 0.0690 0.0690 0.7267 0.7267 0.8836 0.8836 1.2768 1.2768 4.0348 4.0348 4.0514 4.0514 10.1833 10.1833 11.8881 11.8881 15.1855 15.1855 15.6434 15.6434 k = 0.5133 0.2678 0.1305 ( 11800 PWs) bands (ev): -40.6423 -40.6423 -20.5392 -20.5392 -20.1065 -20.1065 -20.1051 -20.1051 -19.9345 -19.9345 -19.7038 -19.7038 -19.6328 -19.6328 -6.0637 -6.0637 -5.9761 -5.9761 -4.7615 -4.7615 -4.7163 -4.7163 -4.2602 -4.2602 -3.9786 -3.9786 -2.4677 -2.4677 -2.0919 -2.0919 -2.0041 -2.0041 -1.0356 -1.0356 -0.7512 -0.7512 -0.5775 -0.5775 -0.5711 -0.5711 -0.2719 -0.2719 -0.0937 -0.0937 -0.0585 -0.0585 0.0608 0.0608 0.0648 0.0648 0.7200 0.7200 0.8835 0.8835 1.2747 1.2747 4.0352 4.0352 4.0518 4.0518 10.1709 10.1709 11.8765 11.8765 15.2345 15.2345 15.6957 15.6957 k = 0.5089 0.2655 0.1464 ( 11811 PWs) bands (ev): -40.6423 -40.6423 -20.5401 -20.5401 -20.1057 -20.1057 -20.1051 -20.1051 -19.9358 -19.9358 -19.7031 -19.7031 -19.6320 -19.6320 -6.0642 -6.0642 -5.9758 -5.9758 -4.7617 -4.7617 -4.7168 -4.7168 -4.2599 -4.2599 -3.9781 -3.9781 -2.4687 -2.4687 -2.0930 -2.0930 -2.0047 -2.0047 -1.0377 -1.0377 -0.7512 -0.7512 -0.5732 -0.5732 -0.5702 -0.5702 -0.2772 -0.2772 -0.0827 -0.0827 -0.0511 -0.0511 0.0576 0.0576 0.0614 0.0614 0.7149 0.7149 0.8834 0.8834 1.2732 1.2732 4.0354 4.0354 4.0521 4.0521 10.1621 10.1621 11.8682 11.8682 15.2697 15.2697 15.7523 15.7523 k = 0.5044 0.2632 0.1623 ( 11813 PWs) bands (ev): -40.6423 -40.6423 -20.5407 -20.5407 -20.1052 -20.1052 -20.1050 -20.1050 -19.9366 -19.9366 -19.7027 -19.7027 -19.6315 -19.6315 -6.0645 -6.0645 -5.9756 -5.9756 -4.7618 -4.7618 -4.7170 -4.7170 -4.2596 -4.2596 -3.9777 -3.9777 -2.4693 -2.4693 -2.0936 -2.0936 -2.0051 -2.0051 -1.0390 -1.0390 -0.7511 -0.7511 -0.5706 -0.5706 -0.5697 -0.5697 -0.2805 -0.2805 -0.0764 -0.0764 -0.0457 -0.0457 0.0554 0.0554 0.0592 0.0592 0.7118 0.7118 0.8834 0.8834 1.2723 1.2723 4.0355 4.0355 4.0523 4.0523 10.1567 10.1567 11.8632 11.8632 15.2906 15.2906 15.8132 15.8132 k = 0.5000 0.2609 0.1782 ( 11788 PWs) bands (ev): -40.6423 -40.6423 -20.5409 -20.5409 -20.1051 -20.1051 -20.1050 -20.1050 -19.9368 -19.9368 -19.7026 -19.7026 -19.6313 -19.6313 -6.0646 -6.0646 -5.9755 -5.9755 -4.7619 -4.7619 -4.7171 -4.7171 -4.2596 -4.2596 -3.9776 -3.9776 -2.4695 -2.4695 -2.0938 -2.0938 -2.0052 -2.0052 -1.0394 -1.0394 -0.7511 -0.7511 -0.5699 -0.5699 -0.5693 -0.5693 -0.2816 -0.2816 -0.0744 -0.0744 -0.0436 -0.0436 0.0546 0.0546 0.0584 0.0584 0.7107 0.7107 0.8834 0.8834 1.2720 1.2720 4.0356 4.0356 4.0523 4.0523 10.1549 10.1549 11.8615 11.8615 15.2975 15.2975 15.8686 15.8686 k = 0.5000-0.3487-0.2381 ( 11796 PWs) bands (ev): -40.6423 -40.6423 -20.5034 -20.5034 -20.1386 -20.1386 -20.1063 -20.1063 -19.9072 -19.9072 -19.7198 -19.7198 -19.6446 -19.6446 -6.0438 -6.0438 -5.9640 -5.9640 -4.8141 -4.8141 -4.6903 -4.6903 -4.2857 -4.2857 -4.0540 -4.0540 -2.6742 -2.6742 -2.1890 -2.1890 -1.8494 -1.8494 -1.1101 -1.1101 -0.7635 -0.7635 -0.4041 -0.4041 -0.3480 -0.3480 -0.1691 -0.1691 -0.0346 -0.0346 -0.0290 -0.0290 0.0438 0.0438 0.1151 0.1151 0.4423 0.4423 0.8638 0.8638 1.3219 1.3219 3.9575 3.9575 4.1340 4.1340 10.6211 10.6211 12.2730 12.2730 14.4973 14.4973 15.1344 15.1344 k = 0.5107-0.3383-0.2310 ( 11799 PWs) bands (ev): -40.6423 -40.6423 -20.5032 -20.5032 -20.1385 -20.1385 -20.1065 -20.1065 -19.9071 -19.9071 -19.7199 -19.7199 -19.6448 -19.6448 -6.0437 -6.0437 -5.9641 -5.9641 -4.8139 -4.8139 -4.6902 -4.6902 -4.2855 -4.2855 -4.0540 -4.0540 -2.6735 -2.6735 -2.1884 -2.1884 -1.8498 -1.8498 -1.1101 -1.1101 -0.7636 -0.7636 -0.4047 -0.4047 -0.3489 -0.3489 -0.1706 -0.1706 -0.0395 -0.0395 -0.0262 -0.0262 0.0449 0.0449 0.1156 0.1156 0.4432 0.4432 0.8649 0.8649 1.3219 1.3219 3.9578 3.9578 4.1337 4.1337 10.6225 10.6225 12.2743 12.2743 14.4955 14.4955 15.0783 15.0783 k = 0.5213-0.3278-0.2239 ( 11807 PWs) bands (ev): -40.6423 -40.6423 -20.5028 -20.5028 -20.1384 -20.1384 -20.1069 -20.1069 -19.9065 -19.9065 -19.7203 -19.7203 -19.6453 -19.6453 -6.0434 -6.0434 -5.9646 -5.9646 -4.8135 -4.8135 -4.6900 -4.6900 -4.2851 -4.2851 -4.0541 -4.0541 -2.6714 -2.6714 -2.1867 -2.1867 -1.8508 -1.8508 -1.1099 -1.1099 -0.7639 -0.7639 -0.4065 -0.4065 -0.3514 -0.3514 -0.1750 -0.1750 -0.0487 -0.0487 -0.0226 -0.0226 0.0480 0.0480 0.1168 0.1168 0.4458 0.4458 0.8683 0.8683 1.3220 1.3220 3.9586 3.9586 4.1328 4.1328 10.6269 10.6269 12.2779 12.2779 14.4900 14.4900 15.0082 15.0082 k = 0.5320-0.3174-0.2168 ( 11811 PWs) bands (ev): -40.6423 -40.6423 -20.5020 -20.5020 -20.1380 -20.1380 -20.1076 -20.1076 -19.9057 -19.9057 -19.7208 -19.7208 -19.6461 -19.6461 -6.0430 -6.0430 -5.9654 -5.9654 -4.8128 -4.8128 -4.6896 -4.6896 -4.2844 -4.2844 -4.0543 -4.0543 -2.6680 -2.6680 -2.1839 -2.1839 -1.8525 -1.8525 -1.1095 -1.1095 -0.7645 -0.7645 -0.4097 -0.4097 -0.3557 -0.3557 -0.1820 -0.1820 -0.0607 -0.0607 -0.0191 -0.0191 0.0523 0.0523 0.1187 0.1187 0.4501 0.4501 0.8738 0.8738 1.3220 1.3220 3.9600 3.9600 4.1314 4.1314 10.6342 10.6342 12.2839 12.2839 14.4803 14.4803 14.9330 14.9330 k = 0.5427-0.3070-0.2096 ( 11811 PWs) bands (ev): -40.6423 -40.6423 -20.5009 -20.5009 -20.1376 -20.1376 -20.1086 -20.1086 -19.9045 -19.9045 -19.7216 -19.7216 -19.6472 -19.6472 -6.0424 -6.0424 -5.9664 -5.9664 -4.8119 -4.8119 -4.6891 -4.6891 -4.2835 -4.2835 -4.0545 -4.0545 -2.6633 -2.6633 -2.1800 -2.1800 -1.8549 -1.8549 -1.1091 -1.1091 -0.7653 -0.7653 -0.4142 -0.4142 -0.3615 -0.3615 -0.1913 -0.1913 -0.0745 -0.0745 -0.0154 -0.0154 0.0571 0.0571 0.1212 0.1212 0.4558 0.4558 0.8812 0.8812 1.3221 1.3221 3.9619 3.9619 4.1294 4.1294 10.6443 10.6443 12.2923 12.2923 14.4656 14.4656 14.8556 14.8556 k = 0.5534-0.2965-0.2025 ( 11805 PWs) bands (ev): -40.6423 -40.6423 -20.4996 -20.4996 -20.1371 -20.1371 -20.1097 -20.1097 -19.9031 -19.9031 -19.7227 -19.7227 -19.6486 -19.6486 -6.0416 -6.0416 -5.9678 -5.9678 -4.8107 -4.8107 -4.6884 -4.6884 -4.2822 -4.2822 -4.0547 -4.0547 -2.6573 -2.6573 -2.1752 -2.1752 -1.8579 -1.8579 -1.1085 -1.1085 -0.7664 -0.7664 -0.4202 -0.4202 -0.3689 -0.3689 -0.2025 -0.2025 -0.0893 -0.0893 -0.0116 -0.0116 0.0619 0.0619 0.1241 0.1241 0.4628 0.4628 0.8902 0.8902 1.3223 1.3223 3.9643 3.9643 4.1268 4.1268 10.6572 10.6572 12.3030 12.3030 14.4443 14.4443 14.7790 14.7790 k = 0.5640-0.2861-0.1954 ( 11807 PWs) bands (ev): -40.6423 -40.6423 -20.4980 -20.4980 -20.1365 -20.1365 -20.1111 -20.1111 -19.9014 -19.9014 -19.7239 -19.7239 -19.6504 -19.6504 -6.0408 -6.0408 -5.9693 -5.9693 -4.8093 -4.8093 -4.6875 -4.6875 -4.2806 -4.2806 -4.0550 -4.0550 -2.6501 -2.6501 -2.1694 -2.1694 -1.8614 -1.8614 -1.1077 -1.1077 -0.7679 -0.7679 -0.4279 -0.4279 -0.3774 -0.3774 -0.2152 -0.2152 -0.1045 -0.1045 -0.0078 -0.0078 0.0667 0.0667 0.1273 0.1273 0.4708 0.4708 0.9004 0.9004 1.3226 1.3226 3.9673 3.9673 4.1238 4.1238 10.6729 10.6729 12.3160 12.3160 14.4139 14.4139 14.7069 14.7069 k = 0.5747-0.2757-0.1883 ( 11801 PWs) bands (ev): -40.6423 -40.6423 -20.4961 -20.4961 -20.1358 -20.1358 -20.1126 -20.1126 -19.8994 -19.8994 -19.7253 -19.7253 -19.6523 -19.6523 -6.0398 -6.0398 -5.9711 -5.9711 -4.8077 -4.8077 -4.6866 -4.6866 -4.2787 -4.2787 -4.0552 -4.0552 -2.6419 -2.6419 -2.1629 -2.1629 -1.8655 -1.8655 -1.1067 -1.1067 -0.7699 -0.7699 -0.4376 -0.4376 -0.3869 -0.3869 -0.2293 -0.2293 -0.1193 -0.1193 -0.0039 -0.0039 0.0711 0.0711 0.1306 0.1306 0.4797 0.4797 0.9116 0.9116 1.3230 1.3230 3.9707 3.9707 4.1202 4.1202 10.6913 10.6913 12.3313 12.3313 14.3712 14.3712 14.6435 14.6435 k = 0.5854-0.2652-0.1811 ( 11816 PWs) bands (ev): -40.6423 -40.6423 -20.4939 -20.4939 -20.1351 -20.1351 -20.1141 -20.1141 -19.8973 -19.8973 -19.7270 -19.7270 -19.6546 -19.6546 -6.0389 -6.0389 -5.9730 -5.9730 -4.8058 -4.8058 -4.6855 -4.6855 -4.2764 -4.2764 -4.0554 -4.0554 -2.6327 -2.6327 -2.1557 -2.1557 -1.8701 -1.8701 -1.1056 -1.1056 -0.7726 -0.7726 -0.4494 -0.4494 -0.3969 -0.3969 -0.2443 -0.2443 -0.1331 -0.1331 -0.0000 -0.0000 0.0754 0.0754 0.1338 0.1338 0.4891 0.4891 0.9234 0.9234 1.3236 1.3236 3.9746 3.9746 4.1162 4.1162 10.7124 10.7124 12.3487 12.3487 14.3141 14.3141 14.5916 14.5916 k = 0.5960-0.2548-0.1740 ( 11805 PWs) bands (ev): -40.6423 -40.6423 -20.4916 -20.4916 -20.1344 -20.1344 -20.1156 -20.1156 -19.8951 -19.8951 -19.7288 -19.7288 -19.6570 -19.6570 -6.0379 -6.0379 -5.9751 -5.9751 -4.8038 -4.8038 -4.6843 -4.6843 -4.2738 -4.2738 -4.0555 -4.0555 -2.6227 -2.6227 -2.1479 -2.1479 -1.8751 -1.8751 -1.1044 -1.1044 -0.7760 -0.7760 -0.4634 -0.4634 -0.4071 -0.4071 -0.2599 -0.2599 -0.1456 -0.1456 0.0037 0.0037 0.0793 0.0793 0.1369 0.1369 0.4991 0.4991 0.9353 0.9353 1.3244 1.3244 3.9790 3.9790 4.1118 4.1118 10.7359 10.7359 12.3682 12.3682 14.2437 14.2437 14.5509 14.5509 k = 0.6067-0.2444-0.1669 ( 11805 PWs) bands (ev): -40.6423 -40.6423 -20.4891 -20.4891 -20.1339 -20.1339 -20.1169 -20.1169 -19.8927 -19.8927 -19.7307 -19.7307 -19.6596 -19.6596 -6.0371 -6.0371 -5.9771 -5.9771 -4.8017 -4.8017 -4.6830 -4.6830 -4.2708 -4.2708 -4.0555 -4.0555 -2.6119 -2.6119 -2.1399 -2.1399 -1.8804 -1.8804 -1.1030 -1.1030 -0.7804 -0.7804 -0.4796 -0.4796 -0.4171 -0.4171 -0.2757 -0.2757 -0.1566 -0.1566 0.0074 0.0074 0.0829 0.0829 0.1398 0.1398 0.5093 0.5093 0.9472 0.9472 1.3254 1.3254 3.9838 3.9838 4.1069 4.1069 10.7619 10.7619 12.3896 12.3896 14.1638 14.1638 14.5182 14.5182 k = 0.6174-0.2339-0.1598 ( 11808 PWs) bands (ev): -40.6423 -40.6423 -20.4863 -20.4863 -20.1337 -20.1337 -20.1179 -20.1179 -19.8904 -19.8904 -19.7328 -19.7328 -19.6624 -19.6624 -6.0364 -6.0364 -5.9791 -5.9791 -4.7994 -4.7994 -4.6816 -4.6816 -4.2675 -4.2675 -4.0554 -4.0554 -2.6005 -2.6005 -2.1317 -2.1317 -1.8858 -1.8858 -1.1014 -1.1014 -0.7859 -0.7859 -0.4976 -0.4976 -0.4269 -0.4269 -0.2913 -0.2913 -0.1660 -0.1660 0.0109 0.0109 0.0862 0.0862 0.1424 0.1424 0.5196 0.5196 0.9586 0.9586 1.3268 1.3268 3.9889 3.9889 4.1018 4.1018 10.7901 10.7901 12.4129 12.4129 14.0780 14.0780 14.4907 14.4907 k = 0.6281-0.2235-0.1526 ( 11810 PWs) bands (ev): -40.6423 -40.6423 -20.4835 -20.4835 -20.1338 -20.1338 -20.1184 -20.1184 -19.8880 -19.8880 -19.7350 -19.7350 -19.6654 -19.6654 -6.0361 -6.0361 -5.9809 -5.9809 -4.7970 -4.7970 -4.6802 -4.6802 -4.2638 -4.2638 -4.0550 -4.0550 -2.5887 -2.5887 -2.1235 -2.1235 -1.8914 -1.8914 -1.0997 -1.0997 -0.7926 -0.7926 -0.5170 -0.5170 -0.4362 -0.4362 -0.3064 -0.3064 -0.1739 -0.1739 0.0142 0.0142 0.0891 0.0891 0.1449 0.1449 0.5299 0.5299 0.9694 0.9694 1.3286 1.3286 3.9944 3.9944 4.0964 4.0964 10.8204 10.8204 12.4378 12.4378 13.9889 13.9889 14.4663 14.4663 k = 0.6387-0.2131-0.1455 ( 11809 PWs) bands (ev): -40.6423 -40.6423 -20.4806 -20.4806 -20.1345 -20.1345 -20.1184 -20.1184 -19.8857 -19.8857 -19.7372 -19.7372 -19.6684 -19.6684 -6.0361 -6.0361 -5.9824 -5.9824 -4.7945 -4.7945 -4.6786 -4.6786 -4.2598 -4.2598 -4.0545 -4.0545 -2.5766 -2.5766 -2.1156 -2.1156 -1.8969 -1.8969 -1.0979 -1.0979 -0.8007 -0.8007 -0.5371 -0.5371 -0.4449 -0.4449 -0.3205 -0.3205 -0.1806 -0.1806 0.0173 0.0173 0.0916 0.0916 0.1470 0.1470 0.5400 0.5400 0.9792 0.9792 1.3307 1.3307 4.0001 4.0001 4.0908 4.0908 10.8526 10.8526 12.4643 12.4643 13.8983 13.8983 14.4437 14.4437 k = 0.6494-0.2026-0.1384 ( 11804 PWs) bands (ev): -40.6423 -40.6423 -20.4776 -20.4776 -20.1355 -20.1355 -20.1178 -20.1178 -19.8834 -19.8834 -19.7395 -19.7395 -19.6715 -19.6715 -6.0366 -6.0366 -5.9835 -5.9835 -4.7920 -4.7920 -4.6771 -4.6771 -4.2555 -4.2555 -4.0537 -4.0537 -2.5644 -2.5644 -2.1082 -2.1082 -1.9022 -1.9022 -1.0961 -1.0961 -0.8103 -0.8103 -0.5577 -0.5577 -0.4529 -0.4529 -0.3335 -0.3335 -0.1861 -0.1861 0.0202 0.0202 0.0937 0.0937 0.1489 0.1489 0.5499 0.5499 0.9880 0.9880 1.3332 1.3332 4.0061 4.0061 4.0850 4.0850 10.8866 10.8866 12.4920 12.4920 13.8076 13.8076 14.4224 14.4224 k = 0.6601-0.1922-0.1312 ( 11813 PWs) bands (ev): -40.6423 -40.6423 -20.4745 -20.4745 -20.1368 -20.1368 -20.1168 -20.1168 -19.8814 -19.8814 -19.7418 -19.7418 -19.6746 -19.6746 -6.0376 -6.0376 -5.9841 -5.9841 -4.7895 -4.7895 -4.6755 -4.6755 -4.2511 -4.2511 -4.0526 -4.0526 -2.5522 -2.5522 -2.1015 -2.1015 -1.9072 -1.9072 -1.0943 -1.0943 -0.8213 -0.8213 -0.5782 -0.5782 -0.4598 -0.4598 -0.3453 -0.3453 -0.1905 -0.1905 0.0229 0.0229 0.0954 0.0954 0.1505 0.1505 0.5595 0.5595 0.9956 0.9956 1.3362 1.3362 4.0121 4.0121 4.0793 4.0793 10.9219 10.9219 12.5207 12.5207 13.7177 13.7177 14.4020 14.4020 k = 0.6708-0.1817-0.1241 ( 11819 PWs) bands (ev): -40.6423 -40.6423 -20.4715 -20.4715 -20.1383 -20.1383 -20.1154 -20.1154 -19.8795 -19.8795 -19.7440 -19.7440 -19.6778 -19.6778 -6.0393 -6.0393 -5.9842 -5.9842 -4.7870 -4.7870 -4.6739 -4.6739 -4.2464 -4.2464 -4.0512 -4.0512 -2.5403 -2.5403 -2.0957 -2.0957 -1.9117 -1.9117 -1.0927 -1.0927 -0.8334 -0.8334 -0.5982 -0.5982 -0.4656 -0.4656 -0.3559 -0.3559 -0.1942 -0.1942 0.0253 0.0253 0.0967 0.0967 0.1518 0.1518 0.5686 0.5686 1.0018 1.0018 1.3396 1.3396 4.0179 4.0179 4.0738 4.0738 10.9583 10.9583 12.5500 12.5500 13.6298 13.6298 14.3826 14.3826 k = 0.6814-0.1713-0.1170 ( 11824 PWs) bands (ev): -40.6423 -40.6423 -20.4686 -20.4686 -20.1399 -20.1399 -20.1139 -20.1139 -19.8779 -19.8779 -19.7461 -19.7461 -19.6809 -19.6809 -6.0414 -6.0414 -5.9838 -5.9838 -4.7845 -4.7845 -4.6722 -4.6722 -4.2417 -4.2417 -4.0495 -4.0495 -2.5288 -2.5288 -2.0909 -2.0909 -1.9156 -1.9156 -1.0913 -1.0913 -0.8465 -0.8465 -0.6176 -0.6176 -0.4700 -0.4700 -0.3651 -0.3651 -0.1970 -0.1970 0.0275 0.0275 0.0975 0.0975 0.1530 0.1530 0.5772 0.5772 1.0067 1.0067 1.3433 1.3433 4.0233 4.0233 4.0688 4.0688 10.9955 10.9955 12.5793 12.5793 13.5447 13.5447 14.3640 14.3640 k = 0.6921-0.1609-0.1099 ( 11818 PWs) bands (ev): -40.6423 -40.6423 -20.4657 -20.4657 -20.1414 -20.1414 -20.1121 -20.1121 -19.8765 -19.8765 -19.7481 -19.7481 -19.6840 -19.6840 -6.0441 -6.0441 -5.9829 -5.9829 -4.7820 -4.7820 -4.6706 -4.6706 -4.2369 -4.2369 -4.0474 -4.0474 -2.5178 -2.5178 -2.0874 -2.0874 -1.9187 -1.9187 -1.0903 -1.0903 -0.8601 -0.8601 -0.6361 -0.6361 -0.4731 -0.4731 -0.3731 -0.3731 -0.1993 -0.1993 0.0294 0.0294 0.0979 0.0979 0.1539 0.1539 0.5852 0.5852 1.0103 1.0103 1.3473 1.3473 4.0277 4.0277 4.0651 4.0651 11.0330 11.0330 12.6081 12.6081 13.4637 13.4637 14.3463 14.3463 k = 0.7028-0.1504-0.1027 ( 11824 PWs) bands (ev): -40.6423 -40.6423 -20.4630 -20.4630 -20.1428 -20.1428 -20.1102 -20.1102 -19.8755 -19.8755 -19.7499 -19.7499 -19.6869 -19.6869 -6.0472 -6.0472 -5.9816 -5.9816 -4.7796 -4.7796 -4.6690 -4.6690 -4.2323 -4.2323 -4.0450 -4.0450 -2.5075 -2.5075 -2.0851 -2.0851 -1.9211 -1.9211 -1.0898 -1.0898 -0.8737 -0.8737 -0.6536 -0.6536 -0.4749 -0.4749 -0.3796 -0.3796 -0.2009 -0.2009 0.0311 0.0311 0.0980 0.0980 0.1546 0.1546 0.5926 0.5926 1.0125 1.0125 1.3516 1.3516 4.0298 4.0298 4.0636 4.0636 11.0702 11.0702 12.6351 12.6351 13.3884 13.3884 14.3295 14.3295 k = 0.7134-0.1400-0.0956 ( 11828 PWs) bands (ev): -40.6423 -40.6423 -20.4605 -20.4605 -20.1441 -20.1441 -20.1083 -20.1083 -19.8748 -19.8748 -19.7514 -19.7514 -19.6898 -19.6898 -6.0505 -6.0505 -5.9799 -5.9799 -4.7773 -4.7773 -4.6674 -4.6674 -4.2278 -4.2278 -4.0422 -4.0422 -2.4980 -2.4980 -2.0842 -2.0842 -1.9228 -1.9228 -1.0901 -1.0901 -0.8868 -0.8868 -0.6701 -0.6701 -0.4756 -0.4756 -0.3848 -0.3848 -0.2021 -0.2021 0.0326 0.0326 0.0976 0.0976 0.1552 0.1552 0.5993 0.5993 1.0136 1.0136 1.3560 1.3560 4.0291 4.0291 4.0652 4.0652 11.1065 11.1065 12.6592 12.6592 13.3208 13.3208 14.3137 14.3137 k = 0.7241-0.1296-0.0885 ( 11821 PWs) bands (ev): -40.6423 -40.6423 -20.4583 -20.4583 -20.1453 -20.1453 -20.1063 -20.1063 -19.8744 -19.8744 -19.7527 -19.7527 -19.6925 -19.6925 -6.0541 -6.0541 -5.9780 -5.9780 -4.7751 -4.7751 -4.6659 -4.6659 -4.2236 -4.2236 -4.0392 -4.0392 -2.4896 -2.4896 -2.0844 -2.0844 -1.9237 -1.9237 -1.0911 -1.0911 -0.8988 -0.8988 -0.6853 -0.6853 -0.4755 -0.4755 -0.3884 -0.3884 -0.2029 -0.2029 0.0338 0.0338 0.0969 0.0969 0.1556 0.1556 0.6053 0.6053 1.0136 1.0136 1.3605 1.3605 4.0258 4.0258 4.0694 4.0694 11.1411 11.1411 12.6784 12.6784 13.2634 13.2634 14.2991 14.2991 k = 0.7348-0.1191-0.0814 ( 11815 PWs) bands (ev): -40.6423 -40.6423 -20.4563 -20.4563 -20.1463 -20.1463 -20.1042 -20.1042 -19.8743 -19.8743 -19.7537 -19.7537 -19.6951 -19.6951 -6.0578 -6.0578 -5.9759 -5.9759 -4.7731 -4.7731 -4.6645 -4.6645 -4.2196 -4.2196 -4.0359 -4.0359 -2.4822 -2.4822 -2.0857 -2.0857 -1.9241 -1.9241 -1.0930 -1.0930 -0.9094 -0.9094 -0.6992 -0.6992 -0.4749 -0.4749 -0.3901 -0.3901 -0.2033 -0.2033 0.0348 0.0348 0.0958 0.0958 0.1558 0.1558 0.6104 0.6104 1.0125 1.0125 1.3649 1.3649 4.0212 4.0212 4.0751 4.0751 11.1731 11.1731 12.6906 12.6906 13.2191 13.2191 14.2856 14.2856 k = 0.7455-0.1087-0.0742 ( 11811 PWs) bands (ev): -40.6423 -40.6423 -20.4547 -20.4547 -20.1471 -20.1471 -20.1022 -20.1022 -19.8746 -19.8746 -19.7544 -19.7544 -19.6974 -19.6974 -6.0615 -6.0615 -5.9737 -5.9737 -4.7711 -4.7711 -4.6631 -4.6631 -4.2161 -4.2161 -4.0325 -4.0325 -2.4760 -2.4760 -2.0879 -2.0879 -1.9240 -1.9240 -1.0958 -1.0958 -0.9183 -0.9183 -0.7117 -0.7117 -0.4743 -0.4743 -0.3899 -0.3899 -0.2034 -0.2034 0.0357 0.0357 0.0946 0.0946 0.1560 0.1560 0.6148 0.6148 1.0106 1.0106 1.3691 1.3691 4.0159 4.0159 4.0816 4.0816 11.2015 11.2015 12.6942 12.6942 13.1907 13.1907 14.2735 14.2735 k = 0.7561-0.0983-0.0671 ( 11816 PWs) bands (ev): -40.6423 -40.6423 -20.4534 -20.4534 -20.1477 -20.1477 -20.1001 -20.1001 -19.8750 -19.8750 -19.7548 -19.7548 -19.6996 -19.6996 -6.0651 -6.0651 -5.9714 -5.9714 -4.7694 -4.7694 -4.6618 -4.6618 -4.2129 -4.2129 -4.0291 -4.0291 -2.4709 -2.4709 -2.0908 -2.0908 -1.9236 -1.9236 -1.0993 -1.0993 -0.9255 -0.9255 -0.7227 -0.7227 -0.4741 -0.4741 -0.3874 -0.3874 -0.2033 -0.2033 0.0364 0.0364 0.0931 0.0931 0.1560 0.1560 0.6183 0.6183 1.0080 1.0080 1.3732 1.3732 4.0104 4.0104 4.0885 4.0885 11.2249 11.2249 12.6892 12.6892 13.1791 13.1791 14.2626 14.2626 k = 0.7668-0.0878-0.0600 ( 11820 PWs) bands (ev): -40.6423 -40.6423 -20.4526 -20.4526 -20.1482 -20.1482 -20.0981 -20.0981 -19.8757 -19.8757 -19.7550 -19.7550 -19.7015 -19.7015 -6.0687 -6.0687 -5.9690 -5.9690 -4.7677 -4.7677 -4.6606 -4.6606 -4.2103 -4.2103 -4.0258 -4.0258 -2.4671 -2.4671 -2.0942 -2.0942 -1.9229 -1.9229 -1.1032 -1.1032 -0.9310 -0.9310 -0.7321 -0.7321 -0.4744 -0.4744 -0.3827 -0.3827 -0.2030 -0.2030 0.0370 0.0370 0.0915 0.0915 0.1559 0.1559 0.6210 0.6210 1.0047 1.0047 1.3769 1.3769 4.0048 4.0048 4.0956 4.0956 11.2420 11.2420 12.6779 12.6779 13.1834 13.1834 14.2532 14.2532 Writing output data file LiAuF6.save init_run : 0.31s CPU 0.48s WALL ( 1 calls) electrons : 348.45s CPU 352.01s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 348.44s CPU 352.00s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.16s WALL ( 280 calls) cegterg : 319.80s CPU 322.14s WALL ( 441 calls) Called by sum_band: Called by *egterg: h_psi : 222.45s CPU 224.13s WALL ( 6580 calls) s_psi : 7.43s CPU 7.33s WALL ( 6580 calls) g_psi : 0.69s CPU 0.69s WALL ( 5859 calls) cdiaghg : 64.34s CPU 65.25s WALL ( 6139 calls) cegterg:over : 17.90s CPU 17.98s WALL ( 5859 calls) cegterg:upda : 16.71s CPU 16.79s WALL ( 5859 calls) cegterg:last : 8.06s CPU 8.09s WALL ( 1001 calls) cdiaghg:chol : 3.46s CPU 3.75s WALL ( 6139 calls) cdiaghg:inve : 2.71s CPU 2.69s WALL ( 6139 calls) cdiaghg:para : 4.57s CPU 4.37s WALL ( 12278 calls) Called by h_psi: h_psi:vloc : 204.28s CPU 205.85s WALL ( 6580 calls) h_psi:vnl : 17.42s CPU 17.46s WALL ( 6580 calls) add_vuspsi : 8.15s CPU 8.17s WALL ( 6580 calls) General routines calbec : 9.25s CPU 9.27s WALL ( 6580 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 193.18s CPU 194.42s WALL ( 848348 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.38s CPU 0.66s WALL ( 560 calls) Parallel routines fft_scatter : 58.08s CPU 58.53s WALL ( 848371 calls) PWSCF : 6m22.78s CPU 6m46.59s WALL This run was terminated on: 13:45: 9 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=