Program PWSCF v.5.1.1 starts on 27Jul2015 at 21:22:12 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./AlF3.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 60 38 11 1735 863 136 Max 61 39 12 1738 879 138 Sum 1929 1225 359 55563 27863 4363 bravais-lattice index = 14 lattice parameter (alat) = 9.4801 a.u. unit-cell volume = 582.0607 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.480145 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.522208 celldm(5)= 0.522208 celldm(6)= 0.522208 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.522208 0.852818 0.000000 ) a(3) = ( 0.522208 0.292567 0.801064 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.612333 -0.428255 ) b(2) = ( 0.000000 1.172583 -0.428255 ) b(3) = ( 0.000000 0.000000 1.248340 ) PseudoPot. # 1 for F read from file: /home/autes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: d18dd1d035d87b93e5ebab176be81bd5 Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential F 7.00 18.99840 F( 1.00) Al 3.00 26.98150 Al( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 289 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 2) = ( 0.0125000 -0.0076542 -0.0053532), wk = 0.0034602 k( 3) = ( 0.0250000 -0.0153083 -0.0107064), wk = 0.0034602 k( 4) = ( 0.0375000 -0.0229625 -0.0160596), wk = 0.0034602 k( 5) = ( 0.0500000 -0.0306166 -0.0214128), wk = 0.0034602 k( 6) = ( 0.0625000 -0.0382708 -0.0267660), wk = 0.0034602 k( 7) = ( 0.0750000 -0.0459249 -0.0321191), wk = 0.0034602 k( 8) = ( 0.0875000 -0.0535791 -0.0374723), wk = 0.0034602 k( 9) = ( 0.1000000 -0.0612333 -0.0428255), wk = 0.0034602 k( 10) = ( 0.1125000 -0.0688874 -0.0481787), wk = 0.0034602 k( 11) = ( 0.1250000 -0.0765416 -0.0535319), wk = 0.0034602 k( 12) = ( 0.1375000 -0.0841957 -0.0588851), wk = 0.0034602 k( 13) = ( 0.1500000 -0.0918499 -0.0642383), wk = 0.0034602 k( 14) = ( 0.1625000 -0.0995040 -0.0695915), wk = 0.0034602 k( 15) = ( 0.1750000 -0.1071582 -0.0749447), wk = 0.0034602 k( 16) = ( 0.1875000 -0.1148124 -0.0802979), wk = 0.0034602 k( 17) = ( 0.2000000 -0.1224665 -0.0856510), wk = 0.0034602 k( 18) = ( 0.2125000 -0.1301207 -0.0910042), wk = 0.0034602 k( 19) = ( 0.2250000 -0.1377748 -0.0963574), wk = 0.0034602 k( 20) = ( 0.2375000 -0.1454290 -0.1017106), wk = 0.0034602 k( 21) = ( 0.2500000 -0.1530831 -0.1070638), wk = 0.0034602 k( 22) = ( 0.2625000 -0.1607373 -0.1124170), wk = 0.0034602 k( 23) = ( 0.2750000 -0.1683915 -0.1177702), wk = 0.0034602 k( 24) = ( 0.2875000 -0.1760456 -0.1231234), wk = 0.0034602 k( 25) = ( 0.3000000 -0.1836998 -0.1284766), wk = 0.0034602 k( 26) = ( 0.3125000 -0.1913539 -0.1338298), wk = 0.0034602 k( 27) = ( 0.3250000 -0.1990081 -0.1391829), wk = 0.0034602 k( 28) = ( 0.3375000 -0.2066622 -0.1445361), wk = 0.0034602 k( 29) = ( 0.3500000 -0.2143164 -0.1498893), wk = 0.0034602 k( 30) = ( 0.3625000 -0.2219705 -0.1552425), wk = 0.0034602 k( 31) = ( 0.3750000 -0.2296247 -0.1605957), wk = 0.0034602 k( 32) = ( 0.3875000 -0.2372789 -0.1659489), wk = 0.0034602 k( 33) = ( 0.4000000 -0.2449330 -0.1713021), wk = 0.0034602 k( 34) = ( 0.4125000 -0.2525872 -0.1766553), wk = 0.0034602 k( 35) = ( 0.4250000 -0.2602413 -0.1820085), wk = 0.0034602 k( 36) = ( 0.4375000 -0.2678955 -0.1873617), wk = 0.0034602 k( 37) = ( 0.4500000 -0.2755496 -0.1927148), wk = 0.0034602 k( 38) = ( 0.4625000 -0.2832038 -0.1980680), wk = 0.0034602 k( 39) = ( 0.4750000 -0.2908580 -0.2034212), wk = 0.0034602 k( 40) = ( 0.4875000 -0.2985121 -0.2087744), wk = 0.0034602 k( 41) = ( 0.5000000 -0.3061663 -0.2141276), wk = 0.0034602 k( 42) = ( 0.5000000 -0.3061663 -0.2141276), wk = 0.0034602 k( 43) = ( 0.5000000 -0.2972045 -0.2269414), wk = 0.0034602 k( 44) = ( 0.5000000 -0.2882427 -0.2397553), wk = 0.0034602 k( 45) = ( 0.5000000 -0.2792809 -0.2525691), wk = 0.0034602 k( 46) = ( 0.5000000 -0.2703192 -0.2653829), wk = 0.0034602 k( 47) = ( 0.5000000 -0.2613574 -0.2781968), wk = 0.0034602 k( 48) = ( 0.5000000 -0.2523956 -0.2910106), wk = 0.0034602 k( 49) = ( 0.5000000 -0.2434338 -0.3038244), wk = 0.0034602 k( 50) = ( 0.5000000 -0.2344720 -0.3166383), wk = 0.0034602 k( 51) = ( 0.5000000 -0.2255103 -0.3294521), wk = 0.0034602 k( 52) = ( 0.5000000 -0.2165485 -0.3422659), wk = 0.0034602 k( 53) = ( 0.5000000 -0.2075867 -0.3550797), wk = 0.0034602 k( 54) = ( 0.5000000 -0.1986249 -0.3678936), wk = 0.0034602 k( 55) = ( 0.5000000 -0.1896631 -0.3807074), wk = 0.0034602 k( 56) = ( 0.5000000 -0.1807013 -0.3935212), wk = 0.0034602 k( 57) = ( 0.5000000 -0.1717396 -0.4063351), wk = 0.0034602 k( 58) = ( 0.5000000 -0.1627778 -0.4191489), wk = 0.0034602 k( 59) = ( 0.5000000 -0.1538160 -0.4319627), wk = 0.0034602 k( 60) = ( 0.5000000 -0.1448542 -0.4447766), wk = 0.0034602 k( 61) = ( 0.5000000 -0.1358924 -0.4575904), wk = 0.0034602 k( 62) = ( 0.5000000 -0.1269307 -0.4704042), wk = 0.0034602 k( 63) = ( 0.5000000 -0.1179689 -0.4832180), wk = 0.0034602 k( 64) = ( 0.5000000 -0.1090071 -0.4960319), wk = 0.0034602 k( 65) = ( 0.5000000 -0.1000453 -0.5088457), wk = 0.0034602 k( 66) = ( 0.5000000 -0.0910836 -0.5216595), wk = 0.0034602 k( 67) = ( 0.5000000 -0.0821218 -0.5344734), wk = 0.0034602 k( 68) = ( 0.5000000 -0.0731600 -0.5472872), wk = 0.0034602 k( 69) = ( 0.5000000 -0.0641982 -0.5601010), wk = 0.0034602 k( 70) = ( 0.5000000 -0.0552364 -0.5729149), wk = 0.0034602 k( 71) = ( 0.5000000 -0.0462746 -0.5857287), wk = 0.0034602 k( 72) = ( 0.5000000 -0.0373129 -0.5985425), wk = 0.0034602 k( 73) = ( 0.5000000 -0.0283511 -0.6113564), wk = 0.0034602 k( 74) = ( 0.5000000 -0.0193893 -0.6241702), wk = 0.0034602 k( 75) = ( 0.7554314 0.1237163 -0.2323402), wk = 0.0034602 k( 76) = ( 0.7476911 0.1284560 -0.2193628), wk = 0.0034602 k( 77) = ( 0.7399507 0.1331956 -0.2063854), wk = 0.0034602 k( 78) = ( 0.7322104 0.1379353 -0.1934080), wk = 0.0034602 k( 79) = ( 0.7244700 0.1426750 -0.1804305), wk = 0.0034602 k( 80) = ( 0.7167297 0.1474146 -0.1674531), wk = 0.0034602 k( 81) = ( 0.7089894 0.1521543 -0.1544757), wk = 0.0034602 k( 82) = ( 0.7012490 0.1568940 -0.1414982), wk = 0.0034602 k( 83) = ( 0.6935087 0.1616336 -0.1285208), wk = 0.0034602 k( 84) = ( 0.6857683 0.1663733 -0.1155434), wk = 0.0034602 k( 85) = ( 0.6780280 0.1711130 -0.1025659), wk = 0.0034602 k( 86) = ( 0.6702876 0.1758526 -0.0895885), wk = 0.0034602 k( 87) = ( 0.6625473 0.1805923 -0.0766111), wk = 0.0034602 k( 88) = ( 0.6548069 0.1853320 -0.0636336), wk = 0.0034602 k( 89) = ( 0.6470666 0.1900716 -0.0506562), wk = 0.0034602 k( 90) = ( 0.6393262 0.1948113 -0.0376788), wk = 0.0034602 k( 91) = ( 0.6315859 0.1995510 -0.0247014), wk = 0.0034602 k( 92) = ( 0.6238455 0.2042906 -0.0117239), wk = 0.0034602 k( 93) = ( 0.6161052 0.2090303 0.0012535), wk = 0.0034602 k( 94) = ( 0.6083648 0.2137700 0.0142309), wk = 0.0034602 k( 95) = ( 0.6006245 0.2185096 0.0272084), wk = 0.0034602 k( 96) = ( 0.5928842 0.2232493 0.0401858), wk = 0.0034602 k( 97) = ( 0.5851438 0.2279890 0.0531632), wk = 0.0034602 k( 98) = ( 0.5774035 0.2327286 0.0661407), wk = 0.0034602 k( 99) = ( 0.5696631 0.2374683 0.0791181), wk = 0.0034602 k( 100) = ( 0.5619228 0.2422080 0.0920955), wk = 0.0034602 k( 101) = ( 0.5541824 0.2469476 0.1050729), wk = 0.0034602 k( 102) = ( 0.5464421 0.2516873 0.1180504), wk = 0.0034602 k( 103) = ( 0.5387017 0.2564270 0.1310278), wk = 0.0034602 k( 104) = ( 0.5309614 0.2611666 0.1440052), wk = 0.0034602 k( 105) = ( 0.5232210 0.2659063 0.1569827), wk = 0.0034602 k( 106) = ( 0.5154807 0.2706459 0.1699601), wk = 0.0034602 k( 107) = ( 0.5077403 0.2753856 0.1829375), wk = 0.0034602 k( 108) = ( 0.5000000 0.2801253 0.1959150), wk = 0.0034602 k( 109) = ( 0.5000000 0.2801253 0.1959150), wk = 0.0034602 k( 110) = ( 0.4868421 0.2727536 0.1907593), wk = 0.0034602 k( 111) = ( 0.4736842 0.2653818 0.1856037), wk = 0.0034602 k( 112) = ( 0.4605263 0.2580101 0.1804480), wk = 0.0034602 k( 113) = ( 0.4473684 0.2506384 0.1752923), wk = 0.0034602 k( 114) = ( 0.4342105 0.2432667 0.1701367), wk = 0.0034602 k( 115) = ( 0.4210526 0.2358950 0.1649810), wk = 0.0034602 k( 116) = ( 0.4078947 0.2285233 0.1598254), wk = 0.0034602 k( 117) = ( 0.3947368 0.2211515 0.1546697), wk = 0.0034602 k( 118) = ( 0.3815789 0.2137798 0.1495141), wk = 0.0034602 k( 119) = ( 0.3684211 0.2064081 0.1443584), wk = 0.0034602 k( 120) = ( 0.3552632 0.1990364 0.1392027), wk = 0.0034602 k( 121) = ( 0.3421053 0.1916647 0.1340471), wk = 0.0034602 k( 122) = ( 0.3289474 0.1842929 0.1288914), wk = 0.0034602 k( 123) = ( 0.3157895 0.1769212 0.1237358), wk = 0.0034602 k( 124) = ( 0.3026316 0.1695495 0.1185801), wk = 0.0034602 k( 125) = ( 0.2894737 0.1621778 0.1134245), wk = 0.0034602 k( 126) = ( 0.2763158 0.1548061 0.1082688), wk = 0.0034602 k( 127) = ( 0.2631579 0.1474344 0.1031131), wk = 0.0034602 k( 128) = ( 0.2500000 0.1400626 0.0979575), wk = 0.0034602 k( 129) = ( 0.2368421 0.1326909 0.0928018), wk = 0.0034602 k( 130) = ( 0.2236842 0.1253192 0.0876462), wk = 0.0034602 k( 131) = ( 0.2105263 0.1179475 0.0824905), wk = 0.0034602 k( 132) = ( 0.1973684 0.1105758 0.0773349), wk = 0.0034602 k( 133) = ( 0.1842105 0.1032041 0.0721792), wk = 0.0034602 k( 134) = ( 0.1710526 0.0958323 0.0670235), wk = 0.0034602 k( 135) = ( 0.1578947 0.0884606 0.0618679), wk = 0.0034602 k( 136) = ( 0.1447368 0.0810889 0.0567122), wk = 0.0034602 k( 137) = ( 0.1315790 0.0737172 0.0515566), wk = 0.0034602 k( 138) = ( 0.1184210 0.0663455 0.0464009), wk = 0.0034602 k( 139) = ( 0.1052632 0.0589737 0.0412453), wk = 0.0034602 k( 140) = ( 0.0921053 0.0516020 0.0360896), wk = 0.0034602 k( 141) = ( 0.0789474 0.0442303 0.0309339), wk = 0.0034602 k( 142) = ( 0.0657895 0.0368586 0.0257783), wk = 0.0034602 k( 143) = ( 0.0526316 0.0294869 0.0206226), wk = 0.0034602 k( 144) = ( 0.0394737 0.0221152 0.0154670), wk = 0.0034602 k( 145) = ( 0.0263158 0.0147434 0.0103113), wk = 0.0034602 k( 146) = ( 0.0131579 0.0073717 0.0051557), wk = 0.0034602 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 149) = ( 0.0077559 -0.0047492 -0.0130035), wk = 0.0034602 k( 150) = ( 0.0155119 -0.0094984 -0.0260071), wk = 0.0034602 k( 151) = ( 0.0232678 -0.0142476 -0.0390106), wk = 0.0034602 k( 152) = ( 0.0310237 -0.0189968 -0.0520142), wk = 0.0034602 k( 153) = ( 0.0387796 -0.0237460 -0.0650177), wk = 0.0034602 k( 154) = ( 0.0465355 -0.0284952 -0.0780213), wk = 0.0034602 k( 155) = ( 0.0542915 -0.0332444 -0.0910248), wk = 0.0034602 k( 156) = ( 0.0620474 -0.0379936 -0.1040284), wk = 0.0034602 k( 157) = ( 0.0698033 -0.0427428 -0.1170319), wk = 0.0034602 k( 158) = ( 0.0775592 -0.0474920 -0.1300355), wk = 0.0034602 k( 159) = ( 0.0853152 -0.0522412 -0.1430390), wk = 0.0034602 k( 160) = ( 0.0930711 -0.0569904 -0.1560425), wk = 0.0034602 k( 161) = ( 0.1008270 -0.0617396 -0.1690461), wk = 0.0034602 k( 162) = ( 0.1085829 -0.0664889 -0.1820496), wk = 0.0034602 k( 163) = ( 0.1163388 -0.0712381 -0.1950532), wk = 0.0034602 k( 164) = ( 0.1240948 -0.0759873 -0.2080567), wk = 0.0034602 k( 165) = ( 0.1318507 -0.0807365 -0.2210603), wk = 0.0034602 k( 166) = ( 0.1396066 -0.0854857 -0.2340638), wk = 0.0034602 k( 167) = ( 0.1473625 -0.0902349 -0.2470674), wk = 0.0034602 k( 168) = ( 0.1551184 -0.0949841 -0.2600709), wk = 0.0034602 k( 169) = ( 0.1628744 -0.0997333 -0.2730745), wk = 0.0034602 k( 170) = ( 0.1706303 -0.1044825 -0.2860780), wk = 0.0034602 k( 171) = ( 0.1783862 -0.1092317 -0.2990815), wk = 0.0034602 k( 172) = ( 0.1861421 -0.1139809 -0.3120851), wk = 0.0034602 k( 173) = ( 0.1938981 -0.1187301 -0.3250886), wk = 0.0034602 k( 174) = ( 0.2016540 -0.1234793 -0.3380922), wk = 0.0034602 k( 175) = ( 0.2094099 -0.1282285 -0.3510957), wk = 0.0034602 k( 176) = ( 0.2171658 -0.1329777 -0.3640993), wk = 0.0034602 k( 177) = ( 0.2249218 -0.1377269 -0.3771028), wk = 0.0034602 k( 178) = ( 0.2326777 -0.1424761 -0.3901064), wk = 0.0034602 k( 179) = ( 0.2404336 -0.1472253 -0.4031099), wk = 0.0034602 k( 180) = ( 0.2481895 -0.1519745 -0.4161135), wk = 0.0034602 k( 181) = ( 0.2559454 -0.1567237 -0.4291170), wk = 0.0034602 k( 182) = ( 0.2637014 -0.1614729 -0.4421206), wk = 0.0034602 k( 183) = ( 0.2714573 -0.1662221 -0.4551241), wk = 0.0034602 k( 184) = ( 0.2792132 -0.1709713 -0.4681276), wk = 0.0034602 k( 185) = ( 0.2869691 -0.1757205 -0.4811312), wk = 0.0034602 k( 186) = ( 0.2947251 -0.1804697 -0.4941347), wk = 0.0034602 k( 187) = ( 0.3024810 -0.1852189 -0.5071383), wk = 0.0034602 k( 188) = ( 0.3102369 -0.1899682 -0.5201418), wk = 0.0034602 k( 189) = ( 0.3179928 -0.1947174 -0.5331454), wk = 0.0034602 k( 190) = ( 0.3257487 -0.1994666 -0.5461489), wk = 0.0034602 k( 191) = ( 0.3335047 -0.2042158 -0.5591525), wk = 0.0034602 k( 192) = ( 0.3412606 -0.2089650 -0.5721560), wk = 0.0034602 k( 193) = ( 0.3490165 -0.2137142 -0.5851595), wk = 0.0034602 k( 194) = ( 0.3567724 -0.2184634 -0.5981631), wk = 0.0034602 k( 195) = ( 0.3645284 -0.2232126 -0.6111666), wk = 0.0034602 k( 196) = ( 0.3722843 -0.2279618 -0.6241702), wk = 0.0034602 k( 197) = ( 0.6277157 0.0521635 -0.4282552), wk = 0.0034602 k( 198) = ( 0.6202030 0.0655730 -0.4282552), wk = 0.0034602 k( 199) = ( 0.6126903 0.0789825 -0.4282552), wk = 0.0034602 k( 200) = ( 0.6051777 0.0923920 -0.4282552), wk = 0.0034602 k( 201) = ( 0.5976650 0.1058016 -0.4282552), wk = 0.0034602 k( 202) = ( 0.5901523 0.1192111 -0.4282552), wk = 0.0034602 k( 203) = ( 0.5826396 0.1326206 -0.4282552), wk = 0.0034602 k( 204) = ( 0.5751269 0.1460301 -0.4282552), wk = 0.0034602 k( 205) = ( 0.5676142 0.1594396 -0.4282552), wk = 0.0034602 k( 206) = ( 0.5601015 0.1728492 -0.4282552), wk = 0.0034602 k( 207) = ( 0.5525888 0.1862587 -0.4282552), wk = 0.0034602 k( 208) = ( 0.5450761 0.1996682 -0.4282552), wk = 0.0034602 k( 209) = ( 0.5375635 0.2130777 -0.4282552), wk = 0.0034602 k( 210) = ( 0.5300508 0.2264872 -0.4282552), wk = 0.0034602 k( 211) = ( 0.5225381 0.2398967 -0.4282552), wk = 0.0034602 k( 212) = ( 0.5150254 0.2533062 -0.4282552), wk = 0.0034602 k( 213) = ( 0.5075127 0.2667158 -0.4282552), wk = 0.0034602 k( 214) = ( 0.5000000 0.2801253 -0.4282552), wk = 0.0034602 k( 215) = ( 0.5000000 0.2801253 -0.4282552), wk = 0.0034602 k( 216) = ( 0.5079822 0.2845973 -0.4160105), wk = 0.0034602 k( 217) = ( 0.5159645 0.2890694 -0.4037658), wk = 0.0034602 k( 218) = ( 0.5239467 0.2935414 -0.3915212), wk = 0.0034602 k( 219) = ( 0.5319289 0.2980135 -0.3792765), wk = 0.0034602 k( 220) = ( 0.5399112 0.3024855 -0.3670318), wk = 0.0034602 k( 221) = ( 0.5478934 0.3069576 -0.3547871), wk = 0.0034602 k( 222) = ( 0.5558756 0.3114296 -0.3425424), wk = 0.0034602 k( 223) = ( 0.5638579 0.3159017 -0.3302977), wk = 0.0034602 k( 224) = ( 0.5718401 0.3203737 -0.3180530), wk = 0.0034602 k( 225) = ( 0.5798223 0.3248458 -0.3058084), wk = 0.0034602 k( 226) = ( 0.5878046 0.3293178 -0.2935637), wk = 0.0034602 k( 227) = ( 0.5957868 0.3337899 -0.2813190), wk = 0.0034602 k( 228) = ( 0.6037690 0.3382619 -0.2690743), wk = 0.0034602 k( 229) = ( 0.6117512 0.3427340 -0.2568296), wk = 0.0034602 k( 230) = ( 0.6197335 0.3472060 -0.2445849), wk = 0.0034602 k( 231) = ( 0.6277157 0.3516781 -0.2323402), wk = 0.0034602 k( 232) = ( 0.6277157 0.3516781 -0.2323402), wk = 0.0034602 k( 233) = ( 0.6233117 0.3492107 -0.2175728), wk = 0.0034602 k( 234) = ( 0.6189077 0.3467434 -0.2028054), wk = 0.0034602 k( 235) = ( 0.6145038 0.3442761 -0.1880380), wk = 0.0034602 k( 236) = ( 0.6100998 0.3418087 -0.1732706), wk = 0.0034602 k( 237) = ( 0.6056958 0.3393414 -0.1585031), wk = 0.0034602 k( 238) = ( 0.6012918 0.3368741 -0.1437357), wk = 0.0034602 k( 239) = ( 0.5968878 0.3344067 -0.1289683), wk = 0.0034602 k( 240) = ( 0.5924838 0.3319394 -0.1142009), wk = 0.0034602 k( 241) = ( 0.5880798 0.3294720 -0.0994335), wk = 0.0034602 k( 242) = ( 0.5836758 0.3270047 -0.0846660), wk = 0.0034602 k( 243) = ( 0.5792718 0.3245374 -0.0698986), wk = 0.0034602 k( 244) = ( 0.5748678 0.3220700 -0.0551312), wk = 0.0034602 k( 245) = ( 0.5704638 0.3196027 -0.0403638), wk = 0.0034602 k( 246) = ( 0.5660599 0.3171353 -0.0255963), wk = 0.0034602 k( 247) = ( 0.5616559 0.3146680 -0.0108289), wk = 0.0034602 k( 248) = ( 0.5572519 0.3122007 0.0039385), wk = 0.0034602 k( 249) = ( 0.5528479 0.3097333 0.0187059), wk = 0.0034602 k( 250) = ( 0.5484439 0.3072660 0.0334733), wk = 0.0034602 k( 251) = ( 0.5440399 0.3047987 0.0482408), wk = 0.0034602 k( 252) = ( 0.5396359 0.3023313 0.0630082), wk = 0.0034602 k( 253) = ( 0.5352319 0.2998640 0.0777756), wk = 0.0034602 k( 254) = ( 0.5308279 0.2973966 0.0925430), wk = 0.0034602 k( 255) = ( 0.5264239 0.2949293 0.1073104), wk = 0.0034602 k( 256) = ( 0.5220200 0.2924620 0.1220779), wk = 0.0034602 k( 257) = ( 0.5176160 0.2899946 0.1368453), wk = 0.0034602 k( 258) = ( 0.5132120 0.2875273 0.1516127), wk = 0.0034602 k( 259) = ( 0.5088080 0.2850600 0.1663801), wk = 0.0034602 k( 260) = ( 0.5044040 0.2825926 0.1811475), wk = 0.0034602 k( 261) = ( 0.5000000 0.2801253 0.1959150), wk = 0.0034602 k( 262) = ( 0.5000000 -0.3061663 -0.2141276), wk = 0.0034602 k( 263) = ( 0.5094604 -0.2957913 -0.2068715), wk = 0.0034602 k( 264) = ( 0.5189208 -0.2854163 -0.1996154), wk = 0.0034602 k( 265) = ( 0.5283813 -0.2750412 -0.1923593), wk = 0.0034602 k( 266) = ( 0.5378417 -0.2646662 -0.1851032), wk = 0.0034602 k( 267) = ( 0.5473021 -0.2542912 -0.1778471), wk = 0.0034602 k( 268) = ( 0.5567625 -0.2439162 -0.1705909), wk = 0.0034602 k( 269) = ( 0.5662230 -0.2335412 -0.1633348), wk = 0.0034602 k( 270) = ( 0.5756834 -0.2231662 -0.1560787), wk = 0.0034602 k( 271) = ( 0.5851438 -0.2127912 -0.1488226), wk = 0.0034602 k( 272) = ( 0.5946042 -0.2024162 -0.1415665), wk = 0.0034602 k( 273) = ( 0.6040647 -0.1920412 -0.1343104), wk = 0.0034602 k( 274) = ( 0.6135251 -0.1816662 -0.1270543), wk = 0.0034602 k( 275) = ( 0.6229855 -0.1712911 -0.1197982), wk = 0.0034602 k( 276) = ( 0.6324459 -0.1609161 -0.1125421), wk = 0.0034602 k( 277) = ( 0.6419063 -0.1505411 -0.1052860), wk = 0.0034602 k( 278) = ( 0.6513668 -0.1401661 -0.0980298), wk = 0.0034602 k( 279) = ( 0.6608272 -0.1297911 -0.0907737), wk = 0.0034602 k( 280) = ( 0.6702876 -0.1194161 -0.0835176), wk = 0.0034602 k( 281) = ( 0.6797481 -0.1090411 -0.0762615), wk = 0.0034602 k( 282) = ( 0.6892085 -0.0986661 -0.0690054), wk = 0.0034602 k( 283) = ( 0.6986689 -0.0882911 -0.0617493), wk = 0.0034602 k( 284) = ( 0.7081293 -0.0779160 -0.0544932), wk = 0.0034602 k( 285) = ( 0.7175897 -0.0675410 -0.0472371), wk = 0.0034602 k( 286) = ( 0.7270502 -0.0571660 -0.0399810), wk = 0.0034602 k( 287) = ( 0.7365106 -0.0467910 -0.0327249), wk = 0.0034602 k( 288) = ( 0.7459710 -0.0364160 -0.0254687), wk = 0.0034602 k( 289) = ( 0.7554314 -0.0260410 -0.0182126), wk = 0.0034602 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 2) = ( 0.0125000 0.0000000 0.0000000), wk = 0.0034602 k( 3) = ( 0.0250000 0.0000000 0.0000000), wk = 0.0034602 k( 4) = ( 0.0375000 -0.0000000 0.0000000), wk = 0.0034602 k( 5) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0034602 k( 6) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0034602 k( 7) = ( 0.0750000 -0.0000000 0.0000000), wk = 0.0034602 k( 8) = ( 0.0875000 -0.0000000 -0.0000000), wk = 0.0034602 k( 9) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0034602 k( 10) = ( 0.1125000 -0.0000000 0.0000000), wk = 0.0034602 k( 11) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0034602 k( 12) = ( 0.1375000 0.0000000 0.0000000), wk = 0.0034602 k( 13) = ( 0.1500000 -0.0000000 0.0000000), wk = 0.0034602 k( 14) = ( 0.1625000 -0.0000000 0.0000000), wk = 0.0034602 k( 15) = ( 0.1750000 -0.0000000 -0.0000000), wk = 0.0034602 k( 16) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0034602 k( 17) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0034602 k( 18) = ( 0.2125000 0.0000000 0.0000000), wk = 0.0034602 k( 19) = ( 0.2250000 -0.0000000 0.0000000), wk = 0.0034602 k( 20) = ( 0.2375000 -0.0000000 -0.0000000), wk = 0.0034602 k( 21) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0034602 k( 22) = ( 0.2625000 0.0000000 0.0000000), wk = 0.0034602 k( 23) = ( 0.2750000 0.0000000 0.0000000), wk = 0.0034602 k( 24) = ( 0.2875000 0.0000000 -0.0000000), wk = 0.0034602 k( 25) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0034602 k( 26) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0034602 k( 27) = ( 0.3250000 -0.0000000 0.0000000), wk = 0.0034602 k( 28) = ( 0.3375000 0.0000000 0.0000000), wk = 0.0034602 k( 29) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0034602 k( 30) = ( 0.3625000 0.0000000 -0.0000000), wk = 0.0034602 k( 31) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0034602 k( 32) = ( 0.3875000 -0.0000000 0.0000000), wk = 0.0034602 k( 33) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0034602 k( 34) = ( 0.4125000 0.0000000 0.0000000), wk = 0.0034602 k( 35) = ( 0.4250000 0.0000000 0.0000000), wk = 0.0034602 k( 36) = ( 0.4375000 0.0000000 -0.0000000), wk = 0.0034602 k( 37) = ( 0.4500000 -0.0000000 0.0000000), wk = 0.0034602 k( 38) = ( 0.4625000 0.0000000 0.0000000), wk = 0.0034602 k( 39) = ( 0.4750000 -0.0000000 -0.0000000), wk = 0.0034602 k( 40) = ( 0.4875000 0.0000000 0.0000000), wk = 0.0034602 k( 41) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034602 k( 42) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034602 k( 43) = ( 0.5000000 0.0076428 -0.0076428), wk = 0.0034602 k( 44) = ( 0.5000000 0.0152855 -0.0152855), wk = 0.0034602 k( 45) = ( 0.5000000 0.0229283 -0.0229283), wk = 0.0034602 k( 46) = ( 0.5000000 0.0305711 -0.0305711), wk = 0.0034602 k( 47) = ( 0.5000000 0.0382138 -0.0382138), wk = 0.0034602 k( 48) = ( 0.5000000 0.0458566 -0.0458566), wk = 0.0034602 k( 49) = ( 0.5000000 0.0534994 -0.0534994), wk = 0.0034602 k( 50) = ( 0.5000000 0.0611421 -0.0611421), wk = 0.0034602 k( 51) = ( 0.5000000 0.0687849 -0.0687849), wk = 0.0034602 k( 52) = ( 0.5000000 0.0764277 -0.0764277), wk = 0.0034602 k( 53) = ( 0.5000000 0.0840704 -0.0840704), wk = 0.0034602 k( 54) = ( 0.5000000 0.0917132 -0.0917132), wk = 0.0034602 k( 55) = ( 0.5000000 0.0993560 -0.0993560), wk = 0.0034602 k( 56) = ( 0.5000000 0.1069988 -0.1069988), wk = 0.0034602 k( 57) = ( 0.5000000 0.1146415 -0.1146415), wk = 0.0034602 k( 58) = ( 0.5000000 0.1222843 -0.1222843), wk = 0.0034602 k( 59) = ( 0.5000000 0.1299270 -0.1299270), wk = 0.0034602 k( 60) = ( 0.5000000 0.1375698 -0.1375698), wk = 0.0034602 k( 61) = ( 0.5000000 0.1452126 -0.1452126), wk = 0.0034602 k( 62) = ( 0.5000000 0.1528554 -0.1528553), wk = 0.0034602 k( 63) = ( 0.5000000 0.1604981 -0.1604981), wk = 0.0034602 k( 64) = ( 0.5000000 0.1681409 -0.1681409), wk = 0.0034602 k( 65) = ( 0.5000000 0.1757837 -0.1757837), wk = 0.0034602 k( 66) = ( 0.5000000 0.1834264 -0.1834264), wk = 0.0034602 k( 67) = ( 0.5000000 0.1910692 -0.1910692), wk = 0.0034602 k( 68) = ( 0.5000000 0.1987120 -0.1987120), wk = 0.0034602 k( 69) = ( 0.5000000 0.2063547 -0.2063547), wk = 0.0034602 k( 70) = ( 0.5000000 0.2139975 -0.2139975), wk = 0.0034602 k( 71) = ( 0.5000000 0.2216403 -0.2216403), wk = 0.0034602 k( 72) = ( 0.5000000 0.2292830 -0.2292830), wk = 0.0034602 k( 73) = ( 0.5000000 0.2369258 -0.2369258), wk = 0.0034602 k( 74) = ( 0.5000000 0.2445686 -0.2445686), wk = 0.0034602 k( 75) = ( 0.7554314 0.5000000 0.2445686), wk = 0.0034602 k( 76) = ( 0.7476911 0.5000000 0.2523089), wk = 0.0034602 k( 77) = ( 0.7399507 0.5000000 0.2600493), wk = 0.0034602 k( 78) = ( 0.7322104 0.5000000 0.2677896), wk = 0.0034602 k( 79) = ( 0.7244700 0.5000000 0.2755299), wk = 0.0034602 k( 80) = ( 0.7167297 0.5000000 0.2832703), wk = 0.0034602 k( 81) = ( 0.7089894 0.5000000 0.2910106), wk = 0.0034602 k( 82) = ( 0.7012490 0.5000000 0.2987510), wk = 0.0034602 k( 83) = ( 0.6935087 0.5000000 0.3064913), wk = 0.0034602 k( 84) = ( 0.6857683 0.5000000 0.3142317), wk = 0.0034602 k( 85) = ( 0.6780280 0.5000000 0.3219720), wk = 0.0034602 k( 86) = ( 0.6702876 0.5000000 0.3297124), wk = 0.0034602 k( 87) = ( 0.6625473 0.5000000 0.3374527), wk = 0.0034602 k( 88) = ( 0.6548069 0.5000000 0.3451931), wk = 0.0034602 k( 89) = ( 0.6470666 0.5000000 0.3529334), wk = 0.0034602 k( 90) = ( 0.6393262 0.5000000 0.3606738), wk = 0.0034602 k( 91) = ( 0.6315859 0.5000000 0.3684141), wk = 0.0034602 k( 92) = ( 0.6238455 0.5000000 0.3761545), wk = 0.0034602 k( 93) = ( 0.6161052 0.5000000 0.3838948), wk = 0.0034602 k( 94) = ( 0.6083648 0.5000000 0.3916352), wk = 0.0034602 k( 95) = ( 0.6006245 0.5000000 0.3993755), wk = 0.0034602 k( 96) = ( 0.5928842 0.5000000 0.4071158), wk = 0.0034602 k( 97) = ( 0.5851438 0.5000000 0.4148562), wk = 0.0034602 k( 98) = ( 0.5774035 0.5000000 0.4225965), wk = 0.0034602 k( 99) = ( 0.5696631 0.5000000 0.4303369), wk = 0.0034602 k( 100) = ( 0.5619228 0.5000000 0.4380772), wk = 0.0034602 k( 101) = ( 0.5541824 0.5000000 0.4458176), wk = 0.0034602 k( 102) = ( 0.5464421 0.5000000 0.4535579), wk = 0.0034602 k( 103) = ( 0.5387017 0.5000000 0.4612983), wk = 0.0034602 k( 104) = ( 0.5309614 0.5000000 0.4690386), wk = 0.0034602 k( 105) = ( 0.5232210 0.5000000 0.4767790), wk = 0.0034602 k( 106) = ( 0.5154807 0.5000000 0.4845193), wk = 0.0034602 k( 107) = ( 0.5077403 0.5000000 0.4922596), wk = 0.0034602 k( 108) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034602 k( 109) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034602 k( 110) = ( 0.4868421 0.4868421 0.4868421), wk = 0.0034602 k( 111) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0034602 k( 112) = ( 0.4605263 0.4605263 0.4605263), wk = 0.0034602 k( 113) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0034602 k( 114) = ( 0.4342105 0.4342105 0.4342105), wk = 0.0034602 k( 115) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0034602 k( 116) = ( 0.4078947 0.4078947 0.4078947), wk = 0.0034602 k( 117) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0034602 k( 118) = ( 0.3815789 0.3815789 0.3815789), wk = 0.0034602 k( 119) = ( 0.3684211 0.3684211 0.3684211), wk = 0.0034602 k( 120) = ( 0.3552632 0.3552632 0.3552632), wk = 0.0034602 k( 121) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0034602 k( 122) = ( 0.3289474 0.3289474 0.3289474), wk = 0.0034602 k( 123) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0034602 k( 124) = ( 0.3026316 0.3026316 0.3026316), wk = 0.0034602 k( 125) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0034602 k( 126) = ( 0.2763158 0.2763158 0.2763158), wk = 0.0034602 k( 127) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0034602 k( 128) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034602 k( 129) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0034602 k( 130) = ( 0.2236842 0.2236842 0.2236842), wk = 0.0034602 k( 131) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0034602 k( 132) = ( 0.1973684 0.1973684 0.1973684), wk = 0.0034602 k( 133) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0034602 k( 134) = ( 0.1710526 0.1710526 0.1710526), wk = 0.0034602 k( 135) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0034602 k( 136) = ( 0.1447368 0.1447368 0.1447368), wk = 0.0034602 k( 137) = ( 0.1315790 0.1315790 0.1315789), wk = 0.0034602 k( 138) = ( 0.1184210 0.1184211 0.1184210), wk = 0.0034602 k( 139) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0034602 k( 140) = ( 0.0921053 0.0921053 0.0921053), wk = 0.0034602 k( 141) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0034602 k( 142) = ( 0.0657895 0.0657895 0.0657895), wk = 0.0034602 k( 143) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0034602 k( 144) = ( 0.0394737 0.0394737 0.0394737), wk = 0.0034602 k( 145) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0034602 k( 146) = ( 0.0131579 0.0131579 0.0131579), wk = 0.0034602 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 149) = ( 0.0077559 0.0000000 -0.0077559), wk = 0.0034602 k( 150) = ( 0.0155119 0.0000000 -0.0155119), wk = 0.0034602 k( 151) = ( 0.0232678 0.0000000 -0.0232678), wk = 0.0034602 k( 152) = ( 0.0310237 0.0000000 -0.0310237), wk = 0.0034602 k( 153) = ( 0.0387796 0.0000000 -0.0387796), wk = 0.0034602 k( 154) = ( 0.0465355 0.0000000 -0.0465355), wk = 0.0034602 k( 155) = ( 0.0542915 0.0000000 -0.0542915), wk = 0.0034602 k( 156) = ( 0.0620474 0.0000000 -0.0620474), wk = 0.0034602 k( 157) = ( 0.0698033 0.0000000 -0.0698033), wk = 0.0034602 k( 158) = ( 0.0775592 0.0000000 -0.0775592), wk = 0.0034602 k( 159) = ( 0.0853152 0.0000000 -0.0853152), wk = 0.0034602 k( 160) = ( 0.0930711 0.0000000 -0.0930711), wk = 0.0034602 k( 161) = ( 0.1008270 -0.0000000 -0.1008270), wk = 0.0034602 k( 162) = ( 0.1085829 0.0000000 -0.1085829), wk = 0.0034602 k( 163) = ( 0.1163388 -0.0000000 -0.1163388), wk = 0.0034602 k( 164) = ( 0.1240948 0.0000000 -0.1240948), wk = 0.0034602 k( 165) = ( 0.1318507 -0.0000000 -0.1318507), wk = 0.0034602 k( 166) = ( 0.1396066 0.0000000 -0.1396066), wk = 0.0034602 k( 167) = ( 0.1473625 0.0000000 -0.1473625), wk = 0.0034602 k( 168) = ( 0.1551184 0.0000000 -0.1551185), wk = 0.0034602 k( 169) = ( 0.1628744 0.0000000 -0.1628744), wk = 0.0034602 k( 170) = ( 0.1706303 0.0000000 -0.1706303), wk = 0.0034602 k( 171) = ( 0.1783862 0.0000000 -0.1783862), wk = 0.0034602 k( 172) = ( 0.1861421 0.0000000 -0.1861421), wk = 0.0034602 k( 173) = ( 0.1938981 0.0000000 -0.1938981), wk = 0.0034602 k( 174) = ( 0.2016540 0.0000000 -0.2016540), wk = 0.0034602 k( 175) = ( 0.2094099 -0.0000000 -0.2094099), wk = 0.0034602 k( 176) = ( 0.2171658 0.0000000 -0.2171658), wk = 0.0034602 k( 177) = ( 0.2249218 -0.0000000 -0.2249218), wk = 0.0034602 k( 178) = ( 0.2326777 -0.0000000 -0.2326777), wk = 0.0034602 k( 179) = ( 0.2404336 0.0000000 -0.2404336), wk = 0.0034602 k( 180) = ( 0.2481895 0.0000000 -0.2481895), wk = 0.0034602 k( 181) = ( 0.2559454 0.0000000 -0.2559454), wk = 0.0034602 k( 182) = ( 0.2637014 0.0000000 -0.2637014), wk = 0.0034602 k( 183) = ( 0.2714573 -0.0000000 -0.2714573), wk = 0.0034602 k( 184) = ( 0.2792132 0.0000000 -0.2792132), wk = 0.0034602 k( 185) = ( 0.2869691 0.0000000 -0.2869691), wk = 0.0034602 k( 186) = ( 0.2947251 0.0000000 -0.2947251), wk = 0.0034602 k( 187) = ( 0.3024810 0.0000000 -0.3024810), wk = 0.0034602 k( 188) = ( 0.3102369 0.0000000 -0.3102369), wk = 0.0034602 k( 189) = ( 0.3179928 0.0000000 -0.3179928), wk = 0.0034602 k( 190) = ( 0.3257487 0.0000000 -0.3257488), wk = 0.0034602 k( 191) = ( 0.3335047 -0.0000000 -0.3335047), wk = 0.0034602 k( 192) = ( 0.3412606 -0.0000000 -0.3412606), wk = 0.0034602 k( 193) = ( 0.3490165 -0.0000000 -0.3490165), wk = 0.0034602 k( 194) = ( 0.3567724 0.0000000 -0.3567724), wk = 0.0034602 k( 195) = ( 0.3645284 0.0000000 -0.3645284), wk = 0.0034602 k( 196) = ( 0.3722843 0.0000000 -0.3722843), wk = 0.0034602 k( 197) = ( 0.6277157 0.3722843 0.0000000), wk = 0.0034602 k( 198) = ( 0.6202030 0.3797970 0.0000000), wk = 0.0034602 k( 199) = ( 0.6126903 0.3873097 0.0000000), wk = 0.0034602 k( 200) = ( 0.6051777 0.3948223 0.0000000), wk = 0.0034602 k( 201) = ( 0.5976650 0.4023350 0.0000000), wk = 0.0034602 k( 202) = ( 0.5901523 0.4098477 0.0000000), wk = 0.0034602 k( 203) = ( 0.5826396 0.4173604 0.0000000), wk = 0.0034602 k( 204) = ( 0.5751269 0.4248731 0.0000000), wk = 0.0034602 k( 205) = ( 0.5676142 0.4323858 0.0000000), wk = 0.0034602 k( 206) = ( 0.5601015 0.4398985 0.0000000), wk = 0.0034602 k( 207) = ( 0.5525888 0.4474112 0.0000000), wk = 0.0034602 k( 208) = ( 0.5450761 0.4549239 0.0000000), wk = 0.0034602 k( 209) = ( 0.5375635 0.4624366 0.0000000), wk = 0.0034602 k( 210) = ( 0.5300508 0.4699492 0.0000000), wk = 0.0034602 k( 211) = ( 0.5225381 0.4774619 -0.0000000), wk = 0.0034602 k( 212) = ( 0.5150254 0.4849746 0.0000000), wk = 0.0034602 k( 213) = ( 0.5075127 0.4924873 -0.0000000), wk = 0.0034602 k( 214) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034602 k( 215) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034602 k( 216) = ( 0.5079822 0.5079822 0.0152855), wk = 0.0034602 k( 217) = ( 0.5159645 0.5159645 0.0305711), wk = 0.0034602 k( 218) = ( 0.5239467 0.5239467 0.0458566), wk = 0.0034602 k( 219) = ( 0.5319289 0.5319289 0.0611421), wk = 0.0034602 k( 220) = ( 0.5399112 0.5399112 0.0764277), wk = 0.0034602 k( 221) = ( 0.5478934 0.5478934 0.0917132), wk = 0.0034602 k( 222) = ( 0.5558756 0.5558756 0.1069987), wk = 0.0034602 k( 223) = ( 0.5638579 0.5638579 0.1222843), wk = 0.0034602 k( 224) = ( 0.5718401 0.5718401 0.1375698), wk = 0.0034602 k( 225) = ( 0.5798223 0.5798223 0.1528554), wk = 0.0034602 k( 226) = ( 0.5878046 0.5878046 0.1681409), wk = 0.0034602 k( 227) = ( 0.5957868 0.5957868 0.1834264), wk = 0.0034602 k( 228) = ( 0.6037690 0.6037690 0.1987120), wk = 0.0034602 k( 229) = ( 0.6117512 0.6117512 0.2139975), wk = 0.0034602 k( 230) = ( 0.6197335 0.6197335 0.2292830), wk = 0.0034602 k( 231) = ( 0.6277157 0.6277157 0.2445686), wk = 0.0034602 k( 232) = ( 0.6277157 0.6277157 0.2445686), wk = 0.0034602 k( 233) = ( 0.6233117 0.6233117 0.2533766), wk = 0.0034602 k( 234) = ( 0.6189077 0.6189077 0.2621845), wk = 0.0034602 k( 235) = ( 0.6145038 0.6145038 0.2709925), wk = 0.0034602 k( 236) = ( 0.6100998 0.6100998 0.2798005), wk = 0.0034602 k( 237) = ( 0.6056958 0.6056958 0.2886085), wk = 0.0034602 k( 238) = ( 0.6012918 0.6012918 0.2974165), wk = 0.0034602 k( 239) = ( 0.5968878 0.5968878 0.3062244), wk = 0.0034602 k( 240) = ( 0.5924838 0.5924838 0.3150324), wk = 0.0034602 k( 241) = ( 0.5880798 0.5880798 0.3238404), wk = 0.0034602 k( 242) = ( 0.5836758 0.5836758 0.3326484), wk = 0.0034602 k( 243) = ( 0.5792718 0.5792718 0.3414564), wk = 0.0034602 k( 244) = ( 0.5748678 0.5748678 0.3502643), wk = 0.0034602 k( 245) = ( 0.5704638 0.5704638 0.3590723), wk = 0.0034602 k( 246) = ( 0.5660599 0.5660599 0.3678803), wk = 0.0034602 k( 247) = ( 0.5616559 0.5616559 0.3766883), wk = 0.0034602 k( 248) = ( 0.5572519 0.5572519 0.3854962), wk = 0.0034602 k( 249) = ( 0.5528479 0.5528479 0.3943042), wk = 0.0034602 k( 250) = ( 0.5484439 0.5484439 0.4031122), wk = 0.0034602 k( 251) = ( 0.5440399 0.5440399 0.4119202), wk = 0.0034602 k( 252) = ( 0.5396359 0.5396359 0.4207282), wk = 0.0034602 k( 253) = ( 0.5352319 0.5352319 0.4295362), wk = 0.0034602 k( 254) = ( 0.5308279 0.5308279 0.4383441), wk = 0.0034602 k( 255) = ( 0.5264239 0.5264239 0.4471521), wk = 0.0034602 k( 256) = ( 0.5220200 0.5220200 0.4559601), wk = 0.0034602 k( 257) = ( 0.5176160 0.5176160 0.4647681), wk = 0.0034602 k( 258) = ( 0.5132120 0.5132120 0.4735761), wk = 0.0034602 k( 259) = ( 0.5088080 0.5088080 0.4823840), wk = 0.0034602 k( 260) = ( 0.5044040 0.5044040 0.4911920), wk = 0.0034602 k( 261) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034602 k( 262) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034602 k( 263) = ( 0.5094604 0.0137883 0.0137883), wk = 0.0034602 k( 264) = ( 0.5189208 0.0275766 0.0275766), wk = 0.0034602 k( 265) = ( 0.5283813 0.0413649 0.0413649), wk = 0.0034602 k( 266) = ( 0.5378417 0.0551532 0.0551532), wk = 0.0034602 k( 267) = ( 0.5473021 0.0689415 0.0689415), wk = 0.0034602 k( 268) = ( 0.5567625 0.0827298 0.0827298), wk = 0.0034602 k( 269) = ( 0.5662230 0.0965182 0.0965181), wk = 0.0034602 k( 270) = ( 0.5756834 0.1103065 0.1103065), wk = 0.0034602 k( 271) = ( 0.5851438 0.1240948 0.1240948), wk = 0.0034602 k( 272) = ( 0.5946042 0.1378831 0.1378831), wk = 0.0034602 k( 273) = ( 0.6040647 0.1516714 0.1516714), wk = 0.0034602 k( 274) = ( 0.6135251 0.1654597 0.1654597), wk = 0.0034602 k( 275) = ( 0.6229855 0.1792480 0.1792480), wk = 0.0034602 k( 276) = ( 0.6324459 0.1930363 0.1930363), wk = 0.0034602 k( 277) = ( 0.6419063 0.2068246 0.2068246), wk = 0.0034602 k( 278) = ( 0.6513668 0.2206129 0.2206129), wk = 0.0034602 k( 279) = ( 0.6608272 0.2344012 0.2344012), wk = 0.0034602 k( 280) = ( 0.6702876 0.2481895 0.2481895), wk = 0.0034602 k( 281) = ( 0.6797481 0.2619778 0.2619778), wk = 0.0034602 k( 282) = ( 0.6892085 0.2757661 0.2757661), wk = 0.0034602 k( 283) = ( 0.6986689 0.2895544 0.2895544), wk = 0.0034602 k( 284) = ( 0.7081293 0.3033427 0.3033427), wk = 0.0034602 k( 285) = ( 0.7175897 0.3171311 0.3171311), wk = 0.0034602 k( 286) = ( 0.7270502 0.3309194 0.3309194), wk = 0.0034602 k( 287) = ( 0.7365106 0.3447077 0.3447077), wk = 0.0034602 k( 288) = ( 0.7459710 0.3584960 0.3584960), wk = 0.0034602 k( 289) = ( 0.7554314 0.3722843 0.3722843), wk = 0.0034602 Dense grid: 55563 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 27863 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 234, 58) NL pseudopotentials 0.20 Mb ( 117, 112) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1738) G-vector shells 0.01 Mb ( 1357) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.83 Mb ( 234, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.20 Mb ( 112, 2, 58) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./AlF3.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 4.3 secs Computing kpt #: 3 total cpu time spent up to now is 5.5 secs Computing kpt #: 4 total cpu time spent up to now is 6.8 secs Computing kpt #: 5 total cpu time spent up to now is 7.9 secs Computing kpt #: 6 total cpu time spent up to now is 9.2 secs Computing kpt #: 7 total cpu time spent up to now is 10.3 secs Computing kpt #: 8 total cpu time spent up to now is 11.5 secs Computing kpt #: 9 total cpu time spent up to now is 12.5 secs Computing kpt #: 10 total cpu time spent up to now is 13.6 secs Computing kpt #: 11 total cpu time spent up to now is 14.8 secs Computing kpt #: 12 total cpu time spent up to now is 15.9 secs Computing kpt #: 13 total cpu time spent up to now is 16.9 secs Computing kpt #: 14 total cpu time spent up to now is 17.9 secs Computing kpt #: 15 total cpu time spent up to now is 18.9 secs Computing kpt #: 16 total cpu time spent up to now is 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c_bands: 2 eigenvalues not converged total cpu time spent up to now is 55.0 secs Computing kpt #: 47 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 57.1 secs Computing kpt #: 48 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 59.3 secs Computing kpt #: 49 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 61.5 secs Computing kpt #: 50 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 63.6 secs Computing kpt #: 51 total cpu time spent up to now is 65.4 secs Computing kpt #: 52 total cpu time spent up to now is 67.0 secs Computing kpt #: 53 total cpu time spent up to now is 68.8 secs Computing kpt #: 54 total cpu time spent up to now is 70.4 secs Computing kpt #: 55 total cpu time spent up to now is 71.9 secs Computing kpt #: 56 total cpu time spent up to now is 73.7 secs Computing kpt #: 57 total cpu time spent up to now is 75.2 secs Computing kpt #: 58 total cpu time spent up to now is 76.7 secs Computing kpt #: 59 total cpu time spent up to now is 78.3 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 81.3 secs Computing kpt #: 62 total cpu time spent up to now is 82.8 secs Computing kpt #: 63 total cpu time spent up to now is 84.2 secs Computing kpt #: 64 total cpu time spent up to now is 85.7 secs Computing kpt #: 65 total cpu time spent up to now is 87.2 secs Computing kpt #: 66 total cpu time spent up to now is 88.7 secs Computing kpt #: 67 total cpu time spent up to now is 90.1 secs Computing kpt #: 68 total cpu time spent up to now is 91.7 secs Computing kpt #: 69 total cpu time spent up to now is 93.1 secs Computing kpt #: 70 total cpu time spent up to now is 94.6 secs Computing kpt #: 71 total cpu time spent up to now is 96.1 secs Computing kpt #: 72 total cpu time spent up to now is 97.6 secs Computing kpt #: 73 total cpu time spent up to now is 99.1 secs Computing kpt #: 74 total cpu time spent up to now is 100.6 secs Computing kpt #: 75 total cpu time spent up to now is 102.1 secs Computing kpt #: 76 total cpu time spent up to now is 103.6 secs Computing kpt #: 77 total cpu time spent up to now is 105.1 secs Computing kpt #: 78 total cpu time spent up to now is 106.6 secs Computing kpt #: 79 total cpu time spent up to now is 108.1 secs Computing kpt #: 80 total cpu time spent up to now is 109.7 secs Computing kpt #: 81 total cpu time spent up to now is 111.2 secs Computing kpt #: 82 total cpu time spent up to now is 112.7 secs Computing kpt #: 83 total cpu time spent up to now is 114.4 secs Computing kpt #: 84 total cpu time spent up to now is 116.0 secs Computing kpt #: 85 total cpu time spent up to now is 117.5 secs Computing kpt #: 86 total cpu time spent up to now is 119.0 secs Computing kpt #: 87 total cpu time spent up to now is 120.5 secs Computing kpt #: 88 total cpu time spent up to now is 122.0 secs Computing kpt #: 89 total cpu time spent up to now is 123.6 secs Computing kpt #: 90 total cpu time spent up to now is 125.1 secs Computing kpt #: 91 total cpu time spent up to now is 126.7 secs Computing kpt #: 92 total cpu time spent up to now is 128.2 secs Computing kpt #: 93 total cpu time spent up to now is 129.7 secs Computing kpt #: 94 total cpu time spent up to now is 131.5 secs Computing kpt #: 95 total cpu time spent up to now is 133.3 secs Computing kpt #: 96 total cpu time spent up to now is 135.1 secs Computing kpt #: 97 total cpu time spent up to now is 136.9 secs Computing kpt #: 98 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 139.0 secs Computing kpt #: 99 total cpu time spent up to now is 141.1 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 143.3 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 145.5 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 147.7 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 150.0 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 152.1 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 154.3 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 156.5 secs Computing kpt #: 107 total cpu time spent up to now is 157.7 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 159.9 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 162.0 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 164.2 secs Computing kpt #: 111 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 166.4 secs Computing kpt #: 112 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 168.5 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 170.6 secs Computing kpt #: 114 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 172.9 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 175.0 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 177.1 secs Computing kpt #: 117 total cpu time spent up to now is 178.9 secs Computing kpt #: 118 total cpu time spent up to now is 180.7 secs Computing kpt #: 119 total cpu time spent up to now is 182.5 secs Computing kpt #: 120 total cpu time spent up to now is 184.0 secs Computing kpt #: 121 total cpu time spent up to now is 185.5 secs Computing kpt #: 122 total cpu time spent up to now is 187.0 secs Computing kpt #: 123 total cpu time spent up to now is 188.3 secs Computing kpt #: 124 total cpu time spent up to now is 189.5 secs Computing kpt #: 125 total cpu time spent up to now is 190.8 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total cpu time spent up to now is 240.0 secs Computing kpt #: 172 total cpu time spent up to now is 240.9 secs Computing kpt #: 173 total cpu time spent up to now is 241.8 secs Computing kpt #: 174 total cpu time spent up to now is 242.8 secs Computing kpt #: 175 total cpu time spent up to now is 243.8 secs Computing kpt #: 176 total cpu time spent up to now is 244.8 secs Computing kpt #: 177 total cpu time spent up to now is 246.0 secs Computing kpt #: 178 total cpu time spent up to now is 246.9 secs Computing kpt #: 179 total cpu time spent up to now is 248.0 secs Computing kpt #: 180 total cpu time spent up to now is 248.9 secs Computing kpt #: 181 total cpu time spent up to now is 250.1 secs Computing kpt #: 182 total cpu time spent up to now is 251.3 secs Computing kpt #: 183 total cpu time spent up to now is 252.3 secs Computing kpt #: 184 total cpu time spent up to now is 253.2 secs Computing kpt #: 185 total cpu time spent up to now is 254.2 secs Computing kpt #: 186 total cpu time spent up to now is 255.1 secs Computing kpt #: 187 total cpu time spent up to now is 256.1 secs Computing kpt #: 188 total cpu time spent up to now is 257.0 secs Computing kpt #: 189 total cpu time spent up to now is 257.8 secs Computing kpt #: 190 total cpu time spent up to now is 258.7 secs Computing kpt #: 191 total cpu time spent up to now is 259.5 secs Computing kpt #: 192 total cpu time spent up to now is 260.3 secs Computing kpt #: 193 total cpu time spent up to now is 261.2 secs Computing kpt #: 194 total cpu time spent up to now is 262.1 secs Computing kpt #: 195 total cpu time spent up to now is 263.0 secs Computing kpt #: 196 total cpu time spent up to now is 263.9 secs Computing kpt #: 197 total cpu time spent up to now is 264.8 secs Computing kpt #: 198 total cpu time spent up to now is 265.7 secs Computing kpt #: 199 total cpu time spent up to now is 266.6 secs Computing kpt #: 200 total cpu time spent up to now is 267.5 secs Computing kpt #: 201 total cpu time spent up to now is 268.4 secs Computing kpt #: 202 total cpu time spent up to now is 269.3 secs Computing kpt #: 203 total cpu time spent up to now is 270.2 secs Computing kpt #: 204 total cpu time spent up to now is 271.1 secs Computing kpt #: 205 total cpu time spent up to now is 272.0 secs Computing kpt #: 206 total cpu time spent up to now is 273.0 secs Computing kpt #: 207 total cpu time spent up to now is 273.9 secs Computing kpt #: 208 total cpu time spent up to now is 274.8 secs Computing kpt #: 209 total cpu time spent up to now is 275.8 secs Computing kpt #: 210 total cpu time spent up to now is 276.7 secs Computing kpt #: 211 total cpu time spent up to now is 277.7 secs Computing kpt #: 212 total cpu time spent up to now is 278.6 secs Computing kpt #: 213 total cpu time spent up to now is 279.5 secs Computing kpt #: 214 total cpu time spent up to now is 280.4 secs Computing kpt #: 215 total cpu time spent up to now is 281.4 secs Computing kpt #: 216 total cpu time spent up to now is 282.3 secs Computing kpt #: 217 total cpu time spent up to now is 283.3 secs Computing kpt #: 218 total cpu time spent up to now is 284.2 secs Computing kpt #: 219 total cpu time spent up to now is 285.2 secs Computing kpt #: 220 total cpu time spent up to now is 286.1 secs Computing kpt #: 221 total cpu time spent up to now is 287.1 secs Computing kpt #: 222 total cpu time spent up to now is 288.0 secs Computing kpt #: 223 total cpu time spent up to now is 288.9 secs Computing kpt #: 224 total cpu time spent up to now is 289.9 secs Computing kpt #: 225 total cpu time spent up to now is 290.8 secs Computing kpt #: 226 total cpu time spent up to now is 291.7 secs Computing kpt #: 227 total cpu time spent up to now is 292.6 secs Computing kpt #: 228 total cpu time spent up to now is 293.5 secs Computing kpt #: 229 total cpu time spent up to now is 294.4 secs Computing kpt #: 230 total cpu time spent up to now is 295.3 secs Computing kpt #: 231 total cpu time spent up to now is 296.2 secs Computing kpt #: 232 total cpu time spent up to now is 297.1 secs Computing kpt #: 233 total cpu time spent up to now is 298.0 secs Computing kpt #: 234 total cpu time spent up to now is 298.9 secs Computing kpt #: 235 total cpu time spent up to now is 299.8 secs Computing kpt #: 236 total cpu time spent up to now is 300.7 secs Computing kpt #: 237 total cpu time spent up to now is 301.6 secs Computing kpt #: 238 total cpu time spent up to now is 302.4 secs Computing kpt #: 239 total cpu time spent up to now is 303.3 secs Computing kpt #: 240 total cpu time spent up to now is 304.2 secs Computing kpt #: 241 total cpu time spent up to now is 305.1 secs Computing kpt #: 242 total cpu time spent up to now is 306.0 secs Computing kpt #: 243 total cpu time spent up to now is 306.9 secs Computing kpt #: 244 total cpu time spent up to now is 307.8 secs Computing kpt #: 245 total cpu time spent up to now is 308.7 secs Computing kpt #: 246 total cpu time spent up to now is 309.7 secs Computing kpt #: 247 total cpu time spent up to now is 310.6 secs Computing kpt #: 248 total cpu time spent up to now is 311.5 secs Computing kpt #: 249 total cpu time spent up to now is 312.5 secs Computing kpt #: 250 total cpu time spent up to now is 313.5 secs Computing kpt #: 251 total cpu time spent up to now is 314.5 secs Computing kpt #: 252 total cpu time spent up to now is 315.5 secs Computing kpt #: 253 total cpu time spent up to now is 316.5 secs Computing kpt #: 254 total cpu time spent up to now is 317.5 secs Computing kpt #: 255 total cpu time spent up to now is 318.7 secs Computing kpt #: 256 total cpu time spent up to now is 320.0 secs Computing kpt #: 257 total cpu time spent up to now is 321.4 secs Computing kpt #: 258 total cpu time spent up to now is 323.0 secs Computing kpt #: 259 total cpu time spent up to now is 324.6 secs Computing kpt #: 260 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 326.7 secs Computing kpt #: 261 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 328.9 secs Computing kpt #: 262 total cpu time spent up to now is 329.9 secs Computing kpt #: 263 total cpu time spent up to now is 331.1 secs Computing kpt #: 264 total cpu time spent up to now is 332.2 secs Computing kpt #: 265 total cpu time spent up to now is 333.2 secs Computing kpt #: 266 total cpu time spent up to now is 334.1 secs Computing kpt #: 267 total cpu time spent up to now is 335.1 secs Computing kpt #: 268 total cpu time spent up to now is 336.0 secs Computing kpt #: 269 total cpu time spent up to now is 337.0 secs Computing kpt #: 270 total cpu time spent up to now is 337.9 secs Computing kpt #: 271 total cpu time spent up to now is 338.8 secs Computing kpt #: 272 total cpu time spent up to now is 339.8 secs Computing kpt #: 273 total cpu time spent up to now is 340.7 secs Computing kpt #: 274 total cpu time spent up to now is 341.6 secs Computing kpt #: 275 total cpu time spent up to now is 342.5 secs Computing kpt #: 276 total cpu time spent up to now is 343.4 secs Computing kpt #: 277 total cpu time spent up to now is 344.4 secs Computing kpt #: 278 total cpu time spent up to now is 345.3 secs Computing kpt #: 279 total cpu time spent up to now is 346.2 secs Computing kpt #: 280 total cpu time spent up to now is 347.1 secs Computing kpt #: 281 total cpu time spent up to now is 348.0 secs Computing kpt #: 282 total cpu time spent up to now is 348.8 secs Computing kpt #: 283 total cpu time spent up to now is 349.7 secs Computing kpt #: 284 total cpu time spent up to now is 350.6 secs Computing kpt #: 285 total cpu time spent up to now is 351.5 secs Computing kpt #: 286 total cpu time spent up to now is 352.4 secs Computing kpt #: 287 total cpu time spent up to now is 353.3 secs Computing kpt #: 288 total cpu time spent up to now is 354.2 secs Computing kpt #: 289 total cpu time spent up to now is 355.1 secs ethr = 2.08E-11, avg # of iterations = 46.5 total cpu time spent up to now is 355.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3491 PWs) bands (ev): -20.7968 -20.7968 -19.5657 -19.5657 -19.5413 -19.5413 -19.5399 -19.5399 -19.1584 -19.1584 -19.1584 -19.1584 -5.8478 -5.8478 -3.5388 -3.5388 -3.5316 -3.5316 -3.3737 -3.3737 -2.0702 -2.0702 -1.9917 -1.9917 -1.9700 -1.9700 -1.3043 -1.3043 -1.3003 -1.3003 -0.0405 -0.0405 0.2791 0.2791 0.2895 0.2895 0.4264 0.4264 0.4788 0.4788 0.4834 0.4834 0.6919 0.6919 1.0494 1.0494 1.0723 1.0723 9.2372 9.2372 14.3432 14.3432 14.4347 14.4347 15.4555 15.4555 15.5677 15.5677 k = 0.0125-0.0077-0.0054 ( 3492 PWs) bands (ev): -20.7964 -20.7964 -19.5657 -19.5657 -19.5416 -19.5416 -19.5400 -19.5400 -19.1586 -19.1586 -19.1585 -19.1585 -5.8468 -5.8468 -3.5387 -3.5387 -3.5314 -3.5314 -3.3733 -3.3733 -2.0694 -2.0694 -1.9910 -1.9910 -1.9694 -1.9694 -1.3050 -1.3050 -1.3010 -1.3010 -0.0407 -0.0407 0.2788 0.2788 0.2892 0.2892 0.4254 0.4254 0.4773 0.4773 0.4828 0.4828 0.6926 0.6926 1.0490 1.0490 1.0720 1.0720 9.2399 9.2399 14.3443 14.3443 14.4343 14.4343 15.4558 15.4558 15.5672 15.5672 k = 0.0250-0.0153-0.0107 ( 3496 PWs) bands (ev): -20.7951 -20.7951 -19.5655 -19.5655 -19.5427 -19.5427 -19.5399 -19.5399 -19.1591 -19.1591 -19.1591 -19.1591 -5.8437 -5.8437 -3.5393 -3.5393 -3.5301 -3.5301 -3.3721 -3.3721 -2.0671 -2.0671 -1.9893 -1.9893 -1.9674 -1.9674 -1.3070 -1.3070 -1.3030 -1.3030 -0.0413 -0.0413 0.2776 0.2776 0.2887 0.2887 0.4220 0.4220 0.4725 0.4725 0.4813 0.4813 0.6944 0.6944 1.0481 1.0481 1.0710 1.0710 9.2477 9.2477 14.3475 14.3475 14.4329 14.4329 15.4565 15.4565 15.5623 15.5623 k = 0.0375-0.0230-0.0161 ( 3497 PWs) bands (ev): -20.7929 -20.7929 -19.5653 -19.5653 -19.5448 -19.5448 -19.5394 -19.5394 -19.1599 -19.1599 -19.1599 -19.1599 -5.8386 -5.8386 -3.5414 -3.5414 -3.5267 -3.5267 -3.3701 -3.3701 -2.0633 -2.0633 -1.9865 -1.9865 -1.9639 -1.9639 -1.3105 -1.3105 -1.3064 -1.3064 -0.0424 -0.0424 0.2747 0.2747 0.2885 0.2885 0.4156 0.4156 0.4652 0.4652 0.4794 0.4794 0.6971 0.6971 1.0465 1.0465 1.0694 1.0694 9.2608 9.2608 14.3528 14.3528 14.4308 14.4308 15.4560 15.4560 15.5513 15.5513 k = 0.0500-0.0306-0.0214 ( 3497 PWs) bands (ev): -20.7899 -20.7899 -19.5653 -19.5653 -19.5476 -19.5476 -19.5386 -19.5386 -19.1611 -19.1611 -19.1610 -19.1610 -5.8315 -5.8315 -3.5453 -3.5453 -3.5212 -3.5212 -3.3670 -3.3670 -2.0579 -2.0579 -1.9830 -1.9830 -1.9587 -1.9587 -1.3152 -1.3152 -1.3112 -1.3112 -0.0440 -0.0440 0.2697 0.2697 0.2892 0.2892 0.4054 0.4054 0.4569 0.4569 0.4771 0.4771 0.7004 0.7004 1.0443 1.0443 1.0672 1.0672 9.2791 9.2791 14.3601 14.3601 14.4281 14.4281 15.4511 15.4511 15.5388 15.5388 k = 0.0625-0.0383-0.0268 ( 3495 PWs) bands (ev): -20.7861 -20.7861 -19.5661 -19.5661 -19.5504 -19.5504 -19.5375 -19.5375 -19.1626 -19.1626 -19.1625 -19.1625 -5.8223 -5.8223 -3.5507 -3.5507 -3.5138 -3.5138 -3.3630 -3.3630 -2.0511 -2.0511 -1.9790 -1.9790 -1.9514 -1.9514 -1.3213 -1.3213 -1.3172 -1.3172 -0.0461 -0.0461 0.2623 0.2623 0.2905 0.2905 0.3904 0.3904 0.4490 0.4490 0.4744 0.4744 0.7040 0.7040 1.0413 1.0413 1.0643 1.0643 9.3025 9.3025 14.3693 14.3693 14.4250 14.4250 15.4361 15.4361 15.5315 15.5315 k = 0.0750-0.0459-0.0321 ( 3495 PWs) bands (ev): -20.7814 -20.7814 -19.5686 -19.5686 -19.5523 -19.5523 -19.5361 -19.5361 -19.1644 -19.1644 -19.1644 -19.1644 -5.8112 -5.8112 -3.5577 -3.5577 -3.5047 -3.5047 -3.3578 -3.3578 -2.0429 -2.0429 -1.9746 -1.9746 -1.9421 -1.9421 -1.3288 -1.3288 -1.3246 -1.3246 -0.0487 -0.0487 0.2527 0.2527 0.2923 0.2923 0.3707 0.3707 0.4423 0.4423 0.4715 0.4715 0.7075 0.7075 1.0377 1.0377 1.0608 1.0608 9.3308 9.3308 14.3801 14.3801 14.4218 14.4218 15.4081 15.4081 15.5330 15.5330 k = 0.0875-0.0536-0.0375 ( 3493 PWs) bands (ev): -20.7758 -20.7758 -19.5734 -19.5734 -19.5526 -19.5526 -19.5346 -19.5346 -19.1666 -19.1666 -19.1665 -19.1665 -5.7981 -5.7981 -3.5663 -3.5663 -3.4939 -3.4939 -3.3514 -3.3514 -2.0333 -2.0333 -1.9698 -1.9698 -1.9307 -1.9307 -1.3375 -1.3375 -1.3333 -1.3333 -0.0521 -0.0521 0.2405 0.2405 0.2941 0.2941 0.3474 0.3474 0.4367 0.4367 0.4683 0.4683 0.7108 0.7108 1.0334 1.0334 1.0568 1.0568 9.3641 9.3641 14.3924 14.3924 14.4187 14.4187 15.3695 15.3695 15.5416 15.5416 k = 0.1000-0.0612-0.0428 ( 3491 PWs) bands (ev): -20.7694 -20.7694 -19.5803 -19.5803 -19.5517 -19.5517 -19.5327 -19.5327 -19.1691 -19.1691 -19.1689 -19.1689 -5.7830 -5.7830 -3.5764 -3.5764 -3.4815 -3.4815 -3.3436 -3.3436 -2.0225 -2.0225 -1.9645 -1.9645 -1.9174 -1.9174 -1.3476 -1.3476 -1.3432 -1.3432 -0.0561 -0.0561 0.2257 0.2257 0.2938 0.2938 0.3232 0.3232 0.4318 0.4318 0.4652 0.4652 0.7136 0.7136 1.0283 1.0283 1.0522 1.0522 9.4022 9.4022 14.4058 14.4058 14.4159 14.4159 15.3234 15.3234 15.5551 15.5551 k = 0.1125-0.0689-0.0482 ( 3495 PWs) bands (ev): -20.7622 -20.7622 -19.5887 -19.5887 -19.5500 -19.5500 -19.5306 -19.5306 -19.1719 -19.1719 -19.1717 -19.1717 -5.7660 -5.7660 -3.5882 -3.5882 -3.4674 -3.4674 -3.3346 -3.3346 -2.0105 -2.0105 -1.9586 -1.9586 -1.9022 -1.9022 -1.3589 -1.3589 -1.3543 -1.3543 -0.0610 -0.0610 0.2079 0.2079 0.2800 0.2800 0.3105 0.3105 0.4276 0.4276 0.4622 0.4622 0.7159 0.7159 1.0225 1.0225 1.0471 1.0471 9.4449 9.4449 14.4135 14.4135 14.4202 14.4202 15.2718 15.2718 15.5721 15.5721 k = 0.1250-0.0765-0.0535 ( 3490 PWs) bands (ev): -20.7541 -20.7541 -19.5984 -19.5984 -19.5477 -19.5477 -19.5283 -19.5283 -19.1750 -19.1750 -19.1748 -19.1748 -5.7471 -5.7471 -3.6016 -3.6016 -3.4517 -3.4517 -3.3242 -3.3242 -1.9977 -1.9977 -1.9517 -1.9517 -1.8854 -1.8854 -1.3714 -1.3714 -1.3665 -1.3665 -0.0669 -0.0669 0.1864 0.1864 0.2517 0.2517 0.3112 0.3112 0.4239 0.4239 0.4595 0.4595 0.7176 0.7176 1.0159 1.0159 1.0414 1.0414 9.4921 9.4921 14.4123 14.4123 14.4345 14.4345 15.2163 15.2163 15.5921 15.5921 k = 0.1375-0.0842-0.0589 ( 3490 PWs) bands (ev): -20.7453 -20.7453 -19.6092 -19.6092 -19.5451 -19.5451 -19.5258 -19.5258 -19.1784 -19.1784 -19.1782 -19.1782 -5.7264 -5.7264 -3.6166 -3.6166 -3.4345 -3.4345 -3.3124 -3.3124 -1.9841 -1.9841 -1.9439 -1.9439 -1.8669 -1.8669 -1.3851 -1.3851 -1.3798 -1.3798 -0.0737 -0.0737 0.1605 0.1605 0.2205 0.2205 0.3149 0.3149 0.4207 0.4207 0.4571 0.4571 0.7187 0.7187 1.0086 1.0086 1.0353 1.0353 9.5437 9.5437 14.4120 14.4120 14.4482 14.4482 15.1581 15.1581 15.6148 15.6148 k = 0.1500-0.0918-0.0642 ( 3488 PWs) bands (ev): -20.7356 -20.7356 -19.6210 -19.6210 -19.5421 -19.5421 -19.5230 -19.5230 -19.1821 -19.1821 -19.1818 -19.1818 -5.7039 -5.7039 -3.6332 -3.6332 -3.4158 -3.4158 -3.2992 -3.2992 -1.9704 -1.9704 -1.9346 -1.9346 -1.8471 -1.8471 -1.3998 -1.3998 -1.3939 -1.3939 -0.0817 -0.0817 0.1293 0.1293 0.1896 0.1896 0.3195 0.3195 0.4180 0.4180 0.4552 0.4552 0.7190 0.7190 1.0005 1.0005 1.0286 1.0286 9.5995 9.5995 14.4129 14.4129 14.4601 14.4601 15.0989 15.0989 15.6399 15.6399 k = 0.1625-0.0995-0.0696 ( 3486 PWs) bands (ev): -20.7251 -20.7251 -19.6339 -19.6339 -19.5387 -19.5387 -19.5200 -19.5200 -19.1861 -19.1861 -19.1858 -19.1858 -5.6796 -5.6796 -3.6514 -3.6514 -3.3955 -3.3955 -3.2847 -3.2847 -1.9568 -1.9568 -1.9236 -1.9236 -1.8261 -1.8261 -1.4156 -1.4156 -1.4088 -1.4088 -0.0909 -0.0909 0.0927 0.0927 0.1598 0.1598 0.3248 0.3248 0.4158 0.4158 0.4537 0.4537 0.7188 0.7188 0.9917 0.9917 1.0215 1.0215 9.6593 9.6593 14.4153 14.4153 14.4685 14.4685 15.0406 15.0406 15.6675 15.6675 k = 0.1750-0.1072-0.0749 ( 3489 PWs) bands (ev): -20.7139 -20.7139 -19.6476 -19.6476 -19.5351 -19.5351 -19.5167 -19.5167 -19.1903 -19.1903 -19.1900 -19.1900 -5.6535 -5.6535 -3.6710 -3.6710 -3.3738 -3.3738 -3.2689 -3.2689 -1.9439 -1.9439 -1.9107 -1.9107 -1.8041 -1.8041 -1.4322 -1.4322 -1.4240 -1.4240 -0.1014 -0.1014 0.0515 0.0515 0.1306 0.1306 0.3305 0.3305 0.4141 0.4141 0.4528 0.4528 0.7178 0.7178 0.9823 0.9823 1.0138 1.0138 9.7229 9.7229 14.4191 14.4191 14.4710 14.4710 14.9859 14.9859 15.6974 15.6974 k = 0.1875-0.1148-0.0803 ( 3486 PWs) bands (ev): -20.7018 -20.7018 -19.6622 -19.6622 -19.5313 -19.5313 -19.5132 -19.5132 -19.1949 -19.1949 -19.1946 -19.1946 -5.6258 -5.6258 -3.6922 -3.6922 -3.3507 -3.3507 -3.2517 -3.2517 -1.9317 -1.9317 -1.8962 -1.8962 -1.7815 -1.7815 -1.4494 -1.4494 -1.4394 -1.4394 -0.1132 -0.1132 0.0069 0.0069 0.1013 0.1013 0.3365 0.3365 0.4132 0.4132 0.4525 0.4525 0.7162 0.7162 0.9721 0.9721 1.0057 1.0057 9.7903 9.7903 14.4245 14.4245 14.4643 14.4643 14.9380 14.9380 15.7295 15.7295 k = 0.2000-0.1225-0.0857 ( 3485 PWs) bands (ev): -20.6891 -20.6891 -19.6777 -19.6777 -19.5271 -19.5271 -19.5095 -19.5095 -19.1997 -19.1997 -19.1993 -19.1993 -5.5965 -5.5965 -3.7147 -3.7147 -3.3262 -3.3262 -3.2333 -3.2333 -1.9199 -1.9199 -1.8806 -1.8806 -1.7588 -1.7588 -1.4666 -1.4666 -1.4543 -1.4543 -0.1265 -0.1265 -0.0404 -0.0404 0.0715 0.0715 0.3428 0.3428 0.4130 0.4130 0.4526 0.4526 0.7140 0.7140 0.9614 0.9614 0.9971 0.9971 9.8611 9.8611 14.4316 14.4316 14.4449 14.4449 14.9008 14.9008 15.7639 15.7639 k = 0.2125-0.1301-0.0910 ( 3487 PWs) bands (ev): -20.6755 -20.6755 -19.6941 -19.6941 -19.5227 -19.5227 -19.5056 -19.5056 -19.2047 -19.2047 -19.2044 -19.2044 -5.5657 -5.5657 -3.7387 -3.7387 -3.3003 -3.3003 -3.2136 -3.2136 -1.9082 -1.9082 -1.8648 -1.8648 -1.7368 -1.7368 -1.4833 -1.4833 -1.4683 -1.4683 -0.1414 -0.1414 -0.0895 -0.0895 0.0407 0.0407 0.3493 0.3493 0.4136 0.4136 0.4533 0.4533 0.7112 0.7112 0.9501 0.9501 0.9880 0.9880 9.9352 9.9352 14.4098 14.4098 14.4407 14.4407 14.8767 14.8767 15.8004 15.8004 k = 0.2250-0.1378-0.0964 ( 3482 PWs) bands (ev): -20.6613 -20.6613 -19.7112 -19.7112 -19.5181 -19.5181 -19.5015 -19.5015 -19.2100 -19.2100 -19.2096 -19.2096 -5.5333 -5.5333 -3.7640 -3.7640 -3.2732 -3.2732 -3.1927 -3.1927 -1.8966 -1.8966 -1.8497 -1.8497 -1.7170 -1.7170 -1.4980 -1.4980 -1.4804 -1.4804 -0.1589 -0.1589 -0.1391 -0.1391 0.0091 0.0091 0.3560 0.3560 0.4152 0.4152 0.4544 0.4544 0.7078 0.7078 0.9383 0.9383 0.9785 0.9785 10.0125 10.0125 14.3595 14.3595 14.4513 14.4513 14.8659 14.8659 15.8391 15.8391 k = 0.2375-0.1454-0.1017 ( 3486 PWs) bands (ev): -20.6463 -20.6463 -19.7290 -19.7290 -19.5132 -19.5132 -19.4972 -19.4972 -19.2155 -19.2155 -19.2151 -19.2151 -5.4995 -5.4995 -3.7907 -3.7907 -3.2448 -3.2448 -3.1705 -3.1705 -1.8850 -1.8850 -1.8362 -1.8362 -1.7018 -1.7018 -1.5086 -1.5086 -1.4896 -1.4896 -0.1958 -0.1958 -0.1721 -0.1721 -0.0236 -0.0236 0.3626 0.3626 0.4179 0.4179 0.4560 0.4560 0.7039 0.7039 0.9260 0.9260 0.9685 0.9685 10.0927 10.0927 14.2962 14.2962 14.4638 14.4638 14.8659 14.8659 15.8798 15.8798 k = 0.2500-0.1531-0.1071 ( 3482 PWs) bands (ev): -20.6307 -20.6307 -19.7476 -19.7476 -19.5081 -19.5081 -19.4926 -19.4926 -19.2212 -19.2212 -19.2209 -19.2209 -5.4643 -5.4643 -3.8187 -3.8187 -3.2152 -3.2152 -3.1472 -3.1472 -1.8741 -1.8741 -1.8249 -1.8249 -1.6940 -1.6940 -1.5125 -1.5125 -1.4941 -1.4941 -0.2482 -0.2482 -0.1921 -0.1921 -0.0574 -0.0574 0.3693 0.3693 0.4216 0.4216 0.4580 0.4580 0.6995 0.6995 0.9133 0.9133 0.9581 0.9581 10.1757 10.1757 14.2227 14.2227 14.4780 14.4780 14.8736 14.8736 15.9224 15.9224 k = 0.2625-0.1607-0.1124 ( 3480 PWs) bands (ev): -20.6144 -20.6144 -19.7668 -19.7668 -19.5028 -19.5028 -19.4879 -19.4879 -19.2272 -19.2272 -19.2268 -19.2268 -5.4278 -5.4278 -3.8479 -3.8479 -3.1844 -3.1844 -3.1228 -3.1228 -1.8652 -1.8652 -1.8154 -1.8154 -1.6962 -1.6962 -1.5087 -1.5087 -1.4916 -1.4916 -0.3023 -0.3023 -0.2127 -0.2127 -0.0920 -0.0920 0.3758 0.3758 0.4264 0.4264 0.4604 0.4604 0.6947 0.6947 0.9003 0.9003 0.9473 0.9473 10.2614 10.2614 14.1419 14.1419 14.4940 14.4940 14.8864 14.8864 15.9669 15.9669 k = 0.2750-0.1684-0.1178 ( 3482 PWs) bands (ev): -20.5974 -20.5974 -19.7867 -19.7867 -19.4973 -19.4973 -19.4829 -19.4829 -19.2333 -19.2333 -19.2329 -19.2329 -5.3901 -5.3901 -3.8783 -3.8783 -3.1526 -3.1526 -3.0972 -3.0972 -1.8608 -1.8608 -1.8063 -1.8063 -1.7080 -1.7080 -1.4995 -1.4995 -1.4794 -1.4794 -0.3572 -0.3572 -0.2344 -0.2344 -0.1277 -0.1277 0.3822 0.3822 0.4324 0.4324 0.4631 0.4631 0.6894 0.6894 0.8870 0.8870 0.9361 0.9361 10.3494 10.3494 14.0555 14.0555 14.5116 14.5116 14.9021 14.9021 16.0131 16.0131 k = 0.2875-0.1760-0.1231 ( 3479 PWs) bands (ev): -20.5798 -20.5798 -19.8072 -19.8072 -19.4916 -19.4916 -19.4778 -19.4778 -19.2396 -19.2396 -19.2393 -19.2393 -5.3512 -5.3512 -3.9099 -3.9099 -3.1198 -3.1198 -3.0706 -3.0706 -1.8633 -1.8633 -1.7952 -1.7952 -1.7269 -1.7269 -1.4862 -1.4862 -1.4580 -1.4580 -0.4126 -0.4126 -0.2574 -0.2574 -0.1642 -0.1642 0.3885 0.3885 0.4393 0.4393 0.4663 0.4663 0.6838 0.6838 0.8735 0.8735 0.9245 0.9245 10.4398 10.4398 13.9650 13.9650 14.5309 14.5309 14.9194 14.9194 16.0610 16.0610 k = 0.3000-0.1837-0.1285 ( 3479 PWs) bands (ev): -20.5616 -20.5616 -19.8282 -19.8282 -19.4857 -19.4857 -19.4725 -19.4725 -19.2461 -19.2461 -19.2457 -19.2457 -5.3113 -5.3113 -3.9427 -3.9427 -3.0861 -3.0861 -3.0430 -3.0430 -1.8734 -1.8734 -1.7817 -1.7817 -1.7502 -1.7502 -1.4683 -1.4683 -1.4307 -1.4307 -0.4682 -0.4682 -0.2816 -0.2816 -0.2016 -0.2016 0.3947 0.3947 0.4472 0.4472 0.4698 0.4698 0.6778 0.6778 0.8599 0.8599 0.9126 0.9126 10.5323 10.5323 13.8713 13.8713 14.5517 14.5517 14.9371 14.9371 16.1103 16.1103 k = 0.3125-0.1914-0.1338 ( 3479 PWs) bands (ev): -20.5428 -20.5428 -19.8497 -19.8497 -19.4796 -19.4796 -19.4670 -19.4670 -19.2527 -19.2527 -19.2523 -19.2523 -5.2703 -5.2703 -3.9766 -3.9766 -3.0515 -3.0515 -3.0144 -3.0144 -1.8897 -1.8897 -1.7825 -1.7825 -1.7599 -1.7599 -1.4460 -1.4460 -1.3999 -1.3999 -0.5237 -0.5237 -0.3071 -0.3071 -0.2397 -0.2397 0.4008 0.4008 0.4556 0.4556 0.4738 0.4738 0.6716 0.6716 0.8462 0.8462 0.9004 0.9004 10.6268 10.6268 13.7749 13.7749 14.5739 14.5739 14.9545 14.9545 16.1610 16.1610 k = 0.3250-0.1990-0.1392 ( 3479 PWs) bands (ev): -20.5234 -20.5234 -19.8718 -19.8718 -19.4733 -19.4733 -19.4614 -19.4614 -19.2595 -19.2595 -19.2591 -19.2591 -5.2284 -5.2284 -4.0116 -4.0116 -3.0162 -3.0162 -2.9849 -2.9849 -1.9109 -1.9109 -1.8109 -1.8109 -1.7424 -1.7424 -1.4197 -1.4197 -1.3668 -1.3668 -0.5791 -0.5791 -0.3338 -0.3338 -0.2786 -0.2786 0.4070 0.4070 0.4643 0.4643 0.4785 0.4785 0.6652 0.6652 0.8326 0.8326 0.8879 0.8879 10.7230 10.7230 13.6764 13.6764 14.5974 14.5974 14.9710 14.9710 16.2128 16.2128 k = 0.3375-0.2067-0.1445 ( 3481 PWs) bands (ev): -20.5035 -20.5035 -19.8942 -19.8942 -19.4669 -19.4669 -19.4556 -19.4556 -19.2664 -19.2664 -19.2659 -19.2659 -5.1857 -5.1857 -4.0477 -4.0477 -2.9803 -2.9803 -2.9546 -2.9546 -1.9356 -1.9356 -1.8427 -1.8427 -1.7216 -1.7216 -1.3901 -1.3901 -1.3322 -1.3322 -0.6341 -0.6341 -0.3616 -0.3616 -0.3182 -0.3182 0.4133 0.4133 0.4726 0.4726 0.4844 0.4844 0.6587 0.6587 0.8191 0.8191 0.8752 0.8752 10.8210 10.8210 13.5760 13.5760 14.6221 14.6221 14.9862 14.9862 16.2657 16.2657 k = 0.3500-0.2143-0.1499 ( 3476 PWs) bands (ev): -20.4830 -20.4830 -19.9171 -19.9171 -19.4603 -19.4603 -19.4497 -19.4497 -19.2735 -19.2735 -19.2729 -19.2729 -5.1423 -5.1423 -4.0848 -4.0848 -2.9439 -2.9439 -2.9235 -2.9235 -1.9631 -1.9631 -1.8761 -1.8761 -1.6988 -1.6988 -1.3580 -1.3580 -1.2966 -1.2966 -0.6883 -0.6883 -0.3905 -0.3905 -0.3584 -0.3584 0.4198 0.4198 0.4796 0.4796 0.4921 0.4921 0.6521 0.6521 0.8057 0.8057 0.8623 0.8623 10.9205 10.9205 13.4742 13.4742 14.6477 14.6477 14.9995 14.9995 16.3193 16.3193 k = 0.3625-0.2220-0.1552 ( 3476 PWs) bands (ev): -20.4621 -20.4621 -19.9403 -19.9403 -19.4537 -19.4537 -19.4436 -19.4436 -19.2806 -19.2806 -19.2799 -19.2799 -5.0981 -5.0981 -4.1228 -4.1228 -2.9073 -2.9073 -2.8916 -2.8916 -1.9924 -1.9924 -1.9107 -1.9107 -1.6745 -1.6745 -1.3236 -1.3236 -1.2606 -1.2606 -0.7416 -0.7416 -0.4206 -0.4206 -0.3991 -0.3991 0.4263 0.4263 0.4852 0.4852 0.5016 0.5016 0.6455 0.6455 0.7927 0.7927 0.8493 0.8493 11.0214 11.0214 13.3710 13.3710 14.6742 14.6742 15.0108 15.0108 16.3735 16.3735 k = 0.3750-0.2296-0.1606 ( 3472 PWs) bands (ev): -20.4407 -20.4407 -19.9638 -19.9638 -19.4468 -19.4468 -19.4375 -19.4375 -19.2878 -19.2878 -19.2869 -19.2869 -5.0534 -5.0534 -4.1618 -4.1618 -2.8707 -2.8707 -2.8589 -2.8589 -2.0231 -2.0231 -1.9462 -1.9462 -1.6486 -1.6486 -1.2875 -1.2875 -1.2247 -1.2247 -0.7934 -0.7934 -0.4520 -0.4520 -0.4400 -0.4400 0.4329 0.4329 0.4900 0.4900 0.5121 0.5121 0.6390 0.6390 0.7801 0.7801 0.8362 0.8362 11.1236 11.1236 13.2667 13.2667 14.7012 14.7012 15.0196 15.0196 16.4280 16.4280 k = 0.3875-0.2373-0.1659 ( 3472 PWs) bands (ev): -20.4188 -20.4188 -19.9876 -19.9876 -19.4400 -19.4400 -19.4312 -19.4312 -19.2951 -19.2951 -19.2940 -19.2940 -5.0082 -5.0082 -4.2017 -4.2017 -2.8348 -2.8348 -2.8253 -2.8253 -2.0547 -2.0547 -1.9822 -1.9822 -1.6211 -1.6211 -1.2499 -1.2499 -1.1896 -1.1896 -0.8431 -0.8431 -0.4864 -0.4864 -0.4793 -0.4793 0.4397 0.4397 0.4943 0.4943 0.5229 0.5229 0.6327 0.6327 0.7681 0.7681 0.8230 0.8230 11.2270 11.2270 13.1615 13.1615 14.7288 14.7288 15.0259 15.0259 16.4826 16.4826 k = 0.4000-0.2449-0.1713 ( 3472 PWs) bands (ev): -20.3966 -20.3966 -20.0117 -20.0117 -19.4330 -19.4330 -19.4249 -19.4249 -19.3024 -19.3024 -19.3012 -19.3012 -4.9625 -4.9625 -4.2424 -4.2424 -2.8000 -2.8000 -2.7907 -2.7907 -2.0866 -2.0866 -2.0185 -2.0185 -1.5922 -1.5922 -1.2111 -1.2111 -1.1568 -1.1568 -0.8893 -0.8893 -0.5266 -0.5266 -0.5142 -0.5142 0.4465 0.4465 0.4982 0.4982 0.5339 0.5339 0.6267 0.6267 0.7568 0.7568 0.8099 0.8099 11.3314 11.3314 13.0554 13.0554 14.7565 14.7565 15.0295 15.0295 16.5368 16.5368 k = 0.4125-0.2526-0.1767 ( 3474 PWs) bands (ev): -20.3740 -20.3740 -20.0359 -20.0359 -19.4260 -19.4260 -19.4185 -19.4185 -19.3097 -19.3097 -19.3082 -19.3082 -4.9166 -4.9166 -4.2839 -4.2839 -2.7664 -2.7664 -2.7556 -2.7556 -2.1184 -2.1184 -2.0549 -2.0549 -1.5618 -1.5618 -1.1712 -1.1712 -1.1295 -1.1295 -0.9287 -0.9287 -0.5689 -0.5689 -0.5482 -0.5482 0.4534 0.4534 0.5016 0.5016 0.5448 0.5448 0.6212 0.6212 0.7464 0.7464 0.7969 0.7969 11.4366 11.4366 12.9486 12.9486 14.7842 14.7842 15.0302 15.0302 16.5904 16.5904 k = 0.4250-0.2602-0.1820 ( 3473 PWs) bands (ev): -20.3510 -20.3510 -20.0603 -20.0603 -19.4191 -19.4191 -19.4122 -19.4122 -19.3169 -19.3169 -19.3152 -19.3152 -4.8704 -4.8704 -4.3262 -4.3262 -2.7339 -2.7339 -2.7210 -2.7210 -2.1493 -2.1493 -2.0907 -2.0907 -1.5299 -1.5299 -1.1304 -1.1304 -1.1151 -1.1151 -0.9539 -0.9539 -0.6118 -0.6118 -0.5826 -0.5826 0.4603 0.4603 0.5043 0.5043 0.5552 0.5552 0.6164 0.6164 0.7371 0.7371 0.7842 0.7842 11.5427 11.5427 12.8412 12.8412 14.8116 14.8116 15.0279 15.0279 16.6429 16.6429 k = 0.4375-0.2679-0.1874 ( 3472 PWs) bands (ev): -20.3277 -20.3277 -20.0848 -20.0848 -19.4122 -19.4122 -19.4059 -19.4059 -19.3239 -19.3239 -19.3221 -19.3221 -4.8240 -4.8240 -4.3692 -4.3692 -2.7027 -2.7027 -2.6880 -2.6880 -2.1785 -2.1785 -2.1257 -2.1257 -1.4965 -1.4965 -1.1232 -1.1232 -1.0889 -1.0889 -0.9555 -0.9555 -0.6551 -0.6551 -0.6177 -0.6177 0.4672 0.4672 0.5060 0.5060 0.5651 0.5651 0.6122 0.6122 0.7293 0.7293 0.7718 0.7718 11.6495 11.6495 12.7334 12.7334 14.8386 14.8386 15.0228 15.0228 16.6938 16.6938 k = 0.4500-0.2755-0.1927 ( 3480 PWs) bands (ev): -20.3042 -20.3042 -20.1094 -20.1094 -19.4054 -19.4054 -19.4000 -19.4000 -19.3307 -19.3307 -19.3287 -19.3287 -4.7776 -4.7776 -4.4129 -4.4129 -2.6734 -2.6734 -2.6579 -2.6579 -2.2049 -2.2049 -2.1589 -2.1589 -1.4617 -1.4617 -1.1508 -1.1508 -1.0468 -1.0468 -0.9365 -0.9365 -0.6986 -0.6986 -0.6534 -0.6534 0.4739 0.4739 0.5067 0.5067 0.5741 0.5741 0.6088 0.6088 0.7233 0.7233 0.7600 0.7600 11.7569 11.7569 12.6251 12.6251 14.8647 14.8647 15.0147 15.0147 16.7423 16.7423 k = 0.4625-0.2832-0.1981 ( 3480 PWs) bands (ev): -20.2803 -20.2803 -20.1340 -20.1340 -19.3991 -19.3991 -19.3944 -19.3944 -19.3368 -19.3368 -19.3349 -19.3349 -4.7311 -4.7311 -4.4571 -4.4571 -2.6468 -2.6468 -2.6320 -2.6320 -2.2270 -2.2270 -2.1894 -2.1894 -1.4255 -1.4255 -1.1876 -1.1876 -1.0041 -1.0041 -0.9070 -0.9070 -0.7422 -0.7422 -0.6895 -0.6895 0.4803 0.4803 0.5061 0.5061 0.5820 0.5820 0.6061 0.6061 0.7195 0.7195 0.7489 0.7489 11.8647 11.8647 12.5166 12.5166 14.8898 14.8898 15.0039 15.0039 16.7877 16.7877 k = 0.4750-0.2909-0.2034 ( 3484 PWs) bands (ev): -20.2563 -20.2563 -20.1586 -20.1586 -19.3934 -19.3934 -19.3899 -19.3899 -19.3420 -19.3420 -19.3403 -19.3403 -4.6848 -4.6848 -4.5019 -4.5019 -2.6244 -2.6244 -2.6125 -2.6125 -2.2429 -2.2429 -2.2157 -2.2157 -1.3879 -1.3879 -1.2278 -1.2278 -0.9611 -0.9611 -0.8733 -0.8733 -0.7857 -0.7857 -0.7261 -0.7261 0.4864 0.4864 0.5042 0.5042 0.5887 0.5887 0.6037 0.6037 0.7183 0.7183 0.7390 0.7390 11.9730 11.9730 12.4079 12.4079 14.9136 14.9136 14.9904 14.9904 16.8289 16.8289 k = 0.4875-0.2985-0.2088 ( 3480 PWs) bands (ev): -20.2320 -20.2320 -20.1832 -20.1832 -19.3889 -19.3889 -19.3869 -19.3869 -19.3455 -19.3455 -19.3444 -19.3444 -4.6386 -4.6386 -4.5471 -4.5471 -2.6080 -2.6080 -2.6013 -2.6013 -2.2503 -2.2503 -2.2359 -2.2359 -1.3491 -1.3491 -1.2686 -1.2686 -0.9178 -0.9178 -0.8416 -0.8416 -0.8254 -0.8254 -0.7628 -0.7628 0.4921 0.4921 0.5012 0.5012 0.5939 0.5939 0.6011 0.6011 0.7198 0.7198 0.7305 0.7305 12.0815 12.0815 12.2990 12.2990 14.9358 14.9358 14.9744 14.9744 16.8645 16.8645 k = 0.5000-0.3062-0.2141 ( 3480 PWs) bands (ev): -20.2077 -20.2077 -20.2077 -20.2077 -19.3865 -19.3865 -19.3865 -19.3865 -19.3464 -19.3464 -19.3464 -19.3464 -4.5927 -4.5927 -4.5927 -4.5927 -2.5998 -2.5998 -2.5998 -2.5998 -2.2479 -2.2479 -2.2479 -2.2479 -1.3093 -1.3093 -1.3093 -1.3093 -0.8746 -0.8746 -0.8746 -0.8746 -0.7994 -0.7994 -0.7994 -0.7994 0.4971 0.4971 0.4971 0.4971 0.5980 0.5980 0.5980 0.5980 0.7240 0.7240 0.7240 0.7240 12.1902 12.1902 12.1902 12.1902 14.9562 14.9562 14.9562 14.9562 16.8933 16.8933 k = 0.5000-0.3062-0.2141 ( 3480 PWs) bands (ev): -20.2077 -20.2077 -20.2077 -20.2077 -19.3865 -19.3865 -19.3865 -19.3865 -19.3464 -19.3464 -19.3464 -19.3464 -4.5927 -4.5927 -4.5927 -4.5927 -2.5998 -2.5998 -2.5998 -2.5998 -2.2479 -2.2479 -2.2479 -2.2479 -1.3093 -1.3093 -1.3093 -1.3093 -0.8746 -0.8746 -0.8746 -0.8746 -0.7994 -0.7994 -0.7994 -0.7994 0.4971 0.4971 0.4971 0.4971 0.5980 0.5980 0.5980 0.5980 0.7240 0.7240 0.7240 0.7240 12.1902 12.1902 12.1902 12.1902 14.9562 14.9562 14.9562 14.9562 16.8933 16.8933 k = 0.5000-0.2972-0.2269 ( 3482 PWs) bands (ev): -20.2074 -20.2074 -20.2074 -20.2074 -19.3880 -19.3880 -19.3879 -19.3879 -19.3453 -19.3453 -19.3453 -19.3453 -4.5920 -4.5920 -4.5919 -4.5919 -2.6008 -2.6008 -2.6001 -2.6001 -2.2481 -2.2481 -2.2470 -2.2470 -1.3113 -1.3113 -1.3108 -1.3108 -0.8764 -0.8764 -0.8757 -0.8757 -0.7960 -0.7960 -0.7948 -0.7948 0.4948 0.4948 0.4962 0.4962 0.5974 0.5974 0.5992 0.5992 0.7235 0.7235 0.7236 0.7236 12.1917 12.1917 12.1918 12.1918 14.9552 14.9552 14.9552 14.9552 16.8863 16.8867 k = 0.5000-0.2882-0.2398 ( 3486 PWs) bands (ev): -20.2066 -20.2066 -20.2066 -20.2066 -19.3918 -19.3918 -19.3918 -19.3918 -19.3424 -19.3424 -19.3423 -19.3423 -4.5897 -4.5897 -4.5896 -4.5896 -2.6032 -2.6032 -2.6018 -2.6018 -2.2475 -2.2475 -2.2453 -2.2453 -1.3167 -1.3167 -1.3158 -1.3158 -0.8800 -0.8800 -0.8788 -0.8788 -0.7855 -0.7855 -0.7835 -0.7835 0.4896 0.4896 0.4924 0.4924 0.5974 0.5974 0.6009 0.6009 0.7222 0.7222 0.7224 0.7224 12.1962 12.1962 12.1963 12.1963 14.9524 14.9524 14.9524 14.9524 16.8667 16.8668 k = 0.5000-0.2793-0.2526 ( 3484 PWs) bands (ev): -20.2054 -20.2054 -20.2054 -20.2054 -19.3974 -19.3974 -19.3973 -19.3973 -19.3383 -19.3383 -19.3383 -19.3383 -4.5860 -4.5860 -4.5859 -4.5859 -2.6068 -2.6068 -2.6049 -2.6049 -2.2460 -2.2460 -2.2428 -2.2428 -1.3253 -1.3253 -1.3240 -1.3240 -0.8838 -0.8838 -0.8824 -0.8824 -0.7697 -0.7697 -0.7671 -0.7671 0.4818 0.4818 0.4856 0.4856 0.5977 0.5977 0.6027 0.6027 0.7201 0.7201 0.7205 0.7205 12.2037 12.2037 12.2038 12.2038 14.9476 14.9476 14.9477 14.9477 16.8378 16.8379 k = 0.5000-0.2703-0.2654 ( 3484 PWs) bands (ev): -20.2036 -20.2036 -20.2036 -20.2036 -19.4041 -19.4041 -19.4040 -19.4040 -19.3338 -19.3338 -19.3337 -19.3337 -4.5808 -4.5808 -4.5806 -4.5806 -2.6118 -2.6118 -2.6092 -2.6092 -2.2438 -2.2438 -2.2396 -2.2396 -1.3368 -1.3368 -1.3351 -1.3351 -0.8866 -0.8866 -0.8853 -0.8853 -0.7502 -0.7502 -0.7473 -0.7473 0.4717 0.4717 0.4764 0.4764 0.5979 0.5979 0.6042 0.6042 0.7174 0.7174 0.7180 0.7180 12.2141 12.2141 12.2144 12.2144 14.9407 14.9407 14.9409 14.9409 16.8028 16.8028 k = 0.5000-0.2614-0.2782 ( 3480 PWs) bands (ev): -20.2013 -20.2013 -20.2013 -20.2013 -19.4116 -19.4116 -19.4115 -19.4115 -19.3290 -19.3290 -19.3289 -19.3289 -4.5741 -4.5741 -4.5739 -4.5739 -2.6180 -2.6180 -2.6149 -2.6149 -2.2408 -2.2408 -2.2357 -2.2357 -1.3508 -1.3508 -1.3487 -1.3487 -0.8880 -0.8880 -0.8869 -0.8869 -0.7279 -0.7279 -0.7248 -0.7248 0.4596 0.4596 0.4649 0.4649 0.5975 0.5975 0.6050 0.6050 0.7142 0.7142 0.7151 0.7151 12.2275 12.2275 12.2278 12.2278 14.9317 14.9317 14.9319 14.9319 16.7645 16.7646 k = 0.5000-0.2524-0.2910 ( 3484 PWs) bands (ev): -20.1985 -20.1985 -20.1985 -20.1985 -19.4196 -19.4196 -19.4195 -19.4195 -19.3242 -19.3242 -19.3242 -19.3242 -4.5660 -4.5660 -4.5658 -4.5658 -2.6253 -2.6253 -2.6218 -2.6218 -2.2371 -2.2371 -2.2311 -2.2311 -1.3668 -1.3668 -1.3643 -1.3643 -0.8879 -0.8879 -0.8869 -0.8869 -0.7035 -0.7035 -0.7003 -0.7003 0.4457 0.4457 0.4514 0.4514 0.5961 0.5961 0.6046 0.6046 0.7109 0.7109 0.7121 0.7121 12.2439 12.2439 12.2442 12.2442 14.9203 14.9203 14.9205 14.9205 16.7250 16.7250 k = 0.5000-0.2434-0.3038 ( 3480 PWs) bands (ev): -20.1953 -20.1953 -20.1952 -20.1952 -19.4282 -19.4282 -19.4281 -19.4281 -19.3195 -19.3195 -19.3194 -19.3194 -4.5566 -4.5566 -4.5563 -4.5563 -2.6338 -2.6338 -2.6298 -2.6298 -2.2327 -2.2327 -2.2259 -2.2259 -1.3843 -1.3843 -1.3816 -1.3816 -0.8862 -0.8862 -0.8854 -0.8854 -0.6775 -0.6775 -0.6741 -0.6741 0.4302 0.4302 0.4361 0.4361 0.5934 0.5934 0.6027 0.6027 0.7076 0.7076 0.7091 0.7091 12.2631 12.2631 12.2636 12.2636 14.9064 14.9064 14.9066 14.9066 16.6857 16.6857 k = 0.5000-0.2345-0.3166 ( 3476 PWs) bands (ev): -20.1915 -20.1915 -20.1915 -20.1915 -19.4371 -19.4371 -19.4370 -19.4370 -19.3149 -19.3149 -19.3149 -19.3149 -4.5459 -4.5459 -4.5456 -4.5456 -2.6434 -2.6434 -2.6390 -2.6390 -2.2277 -2.2277 -2.2201 -2.2201 -1.4031 -1.4031 -1.4001 -1.4001 -0.8830 -0.8830 -0.8825 -0.8825 -0.6502 -0.6502 -0.6467 -0.6467 0.4131 0.4131 0.4192 0.4192 0.5890 0.5890 0.5990 0.5990 0.7047 0.7047 0.7065 0.7065 12.2853 12.2853 12.2858 12.2858 14.8897 14.8897 14.8899 14.8899 16.6478 16.6478 k = 0.5000-0.2255-0.3295 ( 3476 PWs) bands (ev): -20.1874 -20.1874 -20.1874 -20.1874 -19.4464 -19.4464 -19.4463 -19.4463 -19.3105 -19.3105 -19.3104 -19.3104 -4.5339 -4.5339 -4.5335 -4.5335 -2.6540 -2.6540 -2.6493 -2.6493 -2.2221 -2.2221 -2.2137 -2.2137 -1.4228 -1.4228 -1.4194 -1.4194 -0.8785 -0.8785 -0.8782 -0.8782 -0.6219 -0.6219 -0.6182 -0.6182 0.3945 0.3945 0.4007 0.4007 0.5827 0.5827 0.5934 0.5934 0.7023 0.7023 0.7043 0.7043 12.3103 12.3103 12.3108 12.3108 14.8701 14.8701 14.8703 14.8703 16.6122 16.6122 k = 0.5000-0.2165-0.3423 ( 3480 PWs) bands (ev): -20.1828 -20.1828 -20.1828 -20.1828 -19.4560 -19.4560 -19.4559 -19.4559 -19.3062 -19.3062 -19.3062 -19.3062 -4.5207 -4.5207 -4.5203 -4.5203 -2.6655 -2.6655 -2.6606 -2.6606 -2.2159 -2.2159 -2.2069 -2.2069 -1.4429 -1.4429 -1.4393 -1.4393 -0.8727 -0.8727 -0.8726 -0.8726 -0.5927 -0.5927 -0.5890 -0.5890 0.3746 0.3746 0.3807 0.3807 0.5747 0.5747 0.5857 0.5857 0.7005 0.7005 0.7026 0.7026 12.3380 12.3380 12.3386 12.3386 14.8473 14.8473 14.8475 14.8475 16.5793 16.5793 k = 0.5000-0.2076-0.3551 ( 3478 PWs) bands (ev): -20.1778 -20.1778 -20.1778 -20.1778 -19.4658 -19.4658 -19.4657 -19.4657 -19.3022 -19.3022 -19.3022 -19.3022 -4.5065 -4.5065 -4.5060 -4.5060 -2.6778 -2.6778 -2.6728 -2.6728 -2.2091 -2.2091 -2.1996 -2.1996 -1.4633 -1.4633 -1.4595 -1.4595 -0.8659 -0.8659 -0.8657 -0.8657 -0.5629 -0.5629 -0.5591 -0.5591 0.3534 0.3534 0.3594 0.3594 0.5648 0.5648 0.5760 0.5760 0.6993 0.6993 0.7014 0.7014 12.3685 12.3685 12.3692 12.3692 14.8213 14.8213 14.8215 14.8215 16.5498 16.5498 k = 0.5000-0.1986-0.3679 ( 3474 PWs) bands (ev): -20.1725 -20.1725 -20.1724 -20.1724 -19.4759 -19.4759 -19.4757 -19.4757 -19.2984 -19.2984 -19.2984 -19.2984 -4.4912 -4.4912 -4.4907 -4.4907 -2.6910 -2.6910 -2.6858 -2.6858 -2.2020 -2.2020 -2.1919 -2.1919 -1.4838 -1.4838 -1.4797 -1.4797 -0.8581 -0.8581 -0.8576 -0.8576 -0.5327 -0.5327 -0.5288 -0.5288 0.3309 0.3309 0.3367 0.3367 0.5532 0.5532 0.5646 0.5646 0.6987 0.6987 0.7007 0.7007 12.4017 12.4017 12.4024 12.4024 14.7918 14.7918 14.7920 14.7920 16.5240 16.5240 k = 0.5000-0.1897-0.3807 ( 3470 PWs) bands (ev): -20.1668 -20.1668 -20.1667 -20.1667 -19.4861 -19.4861 -19.4860 -19.4860 -19.2948 -19.2948 -19.2948 -19.2948 -4.4750 -4.4750 -4.4745 -4.4745 -2.7048 -2.7048 -2.6995 -2.6995 -2.1944 -2.1944 -2.1839 -2.1839 -1.5041 -1.5041 -1.4998 -1.4998 -0.8493 -0.8493 -0.8486 -0.8486 -0.5021 -0.5021 -0.4982 -0.4982 0.3072 0.3072 0.3128 0.3128 0.5401 0.5401 0.5516 0.5516 0.6984 0.6984 0.7003 0.7003 12.4375 12.4375 12.4383 12.4383 14.7588 14.7588 14.7591 14.7591 16.5021 16.5021 k = 0.5000-0.1807-0.3935 ( 3468 PWs) bands (ev): -20.1608 -20.1608 -20.1607 -20.1607 -19.4965 -19.4965 -19.4963 -19.4963 -19.2914 -19.2914 -19.2913 -19.2913 -4.4580 -4.4580 -4.4574 -4.4574 -2.7192 -2.7192 -2.7139 -2.7139 -2.1865 -2.1865 -2.1755 -2.1755 -1.5241 -1.5241 -1.5195 -1.5195 -0.8396 -0.8396 -0.8385 -0.8385 -0.4714 -0.4714 -0.4673 -0.4673 0.2824 0.2824 0.2876 0.2876 0.5257 0.5257 0.5372 0.5372 0.6984 0.6984 0.7002 0.7002 12.4759 12.4759 12.4767 12.4767 14.7224 14.7224 14.7226 14.7226 16.4843 16.4843 k = 0.5000-0.1717-0.4063 ( 3474 PWs) bands (ev): -20.1545 -20.1545 -20.1545 -20.1545 -19.5069 -19.5069 -19.5068 -19.5068 -19.2881 -19.2881 -19.2881 -19.2881 -4.4403 -4.4403 -4.4397 -4.4397 -2.7342 -2.7342 -2.7288 -2.7288 -2.1784 -2.1784 -2.1669 -2.1669 -1.5436 -1.5436 -1.5388 -1.5388 -0.8290 -0.8290 -0.8276 -0.8276 -0.4406 -0.4406 -0.4364 -0.4364 0.2565 0.2565 0.2614 0.2614 0.5102 0.5102 0.5215 0.5215 0.6986 0.6986 0.7001 0.7001 12.5168 12.5168 12.5176 12.5176 14.6825 14.6825 14.6827 14.6827 16.4705 16.4705 k = 0.5000-0.1628-0.4191 ( 3470 PWs) bands (ev): -20.1480 -20.1480 -20.1479 -20.1479 -19.5174 -19.5174 -19.5173 -19.5173 -19.2851 -19.2851 -19.2851 -19.2851 -4.4220 -4.4220 -4.4214 -4.4214 -2.7495 -2.7495 -2.7442 -2.7442 -2.1700 -2.1700 -2.1582 -2.1582 -1.5625 -1.5625 -1.5575 -1.5575 -0.8177 -0.8177 -0.8159 -0.8159 -0.4098 -0.4098 -0.4056 -0.4056 0.2297 0.2297 0.2342 0.2342 0.4936 0.4936 0.5048 0.5048 0.6988 0.6988 0.7002 0.7002 12.5600 12.5600 12.5609 12.5609 14.6393 14.6393 14.6395 14.6395 16.4607 16.4607 k = 0.5000-0.1538-0.4320 ( 3464 PWs) bands (ev): -20.1413 -20.1413 -20.1412 -20.1412 -19.5279 -19.5279 -19.5278 -19.5278 -19.2823 -19.2823 -19.2823 -19.2823 -4.4033 -4.4033 -4.4026 -4.4026 -2.7651 -2.7651 -2.7598 -2.7598 -2.1615 -2.1615 -2.1493 -2.1493 -1.5808 -1.5808 -1.5755 -1.5755 -0.8055 -0.8055 -0.8034 -0.8034 -0.3792 -0.3792 -0.3748 -0.3748 0.2022 0.2022 0.2061 0.2061 0.4761 0.4761 0.4872 0.4872 0.6991 0.6991 0.7003 0.7003 12.6056 12.6056 12.6066 12.6066 14.5928 14.5928 14.5930 14.5930 16.4548 16.4548 k = 0.5000-0.1449-0.4448 ( 3458 PWs) bands (ev): -20.1344 -20.1344 -20.1344 -20.1344 -19.5384 -19.5384 -19.5382 -19.5382 -19.2796 -19.2796 -19.2796 -19.2796 -4.3843 -4.3843 -4.3836 -4.3836 -2.7809 -2.7809 -2.7757 -2.7757 -2.1529 -2.1529 -2.1403 -2.1403 -1.5982 -1.5982 -1.5926 -1.5926 -0.7927 -0.7927 -0.7901 -0.7901 -0.3489 -0.3489 -0.3444 -0.3444 0.1740 0.1740 0.1773 0.1773 0.4579 0.4579 0.4688 0.4688 0.6994 0.6994 0.7004 0.7004 12.6535 12.6535 12.6545 12.6545 14.5434 14.5434 14.5436 14.5436 16.4525 16.4525 k = 0.5000-0.1359-0.4576 ( 3462 PWs) bands (ev): -20.1275 -20.1275 -20.1275 -20.1275 -19.5488 -19.5488 -19.5486 -19.5486 -19.2772 -19.2772 -19.2771 -19.2771 -4.3652 -4.3652 -4.3644 -4.3644 -2.7967 -2.7967 -2.7916 -2.7916 -2.1443 -2.1443 -2.1314 -2.1314 -1.6148 -1.6148 -1.6090 -1.6090 -0.7791 -0.7791 -0.7762 -0.7762 -0.3191 -0.3191 -0.3144 -0.3144 0.1454 0.1454 0.1480 0.1480 0.4389 0.4389 0.4497 0.4497 0.6996 0.6996 0.7004 0.7004 12.7034 12.7034 12.7044 12.7044 14.4912 14.4912 14.4915 14.4915 16.4536 16.4536 k = 0.5000-0.1269-0.4704 ( 3466 PWs) bands (ev): -20.1206 -20.1206 -20.1206 -20.1206 -19.5589 -19.5589 -19.5587 -19.5587 -19.2749 -19.2749 -19.2748 -19.2748 -4.3461 -4.3461 -4.3452 -4.3452 -2.8125 -2.8125 -2.8074 -2.8074 -2.1357 -2.1357 -2.1226 -2.1226 -1.6304 -1.6304 -1.6244 -1.6244 -0.7650 -0.7650 -0.7616 -0.7616 -0.2900 -0.2900 -0.2849 -0.2849 0.1166 0.1166 0.1185 0.1185 0.4194 0.4194 0.4301 0.4301 0.6997 0.6997 0.7003 0.7003 12.7554 12.7554 12.7565 12.7565 14.4366 14.4366 14.4368 14.4368 16.4579 16.4579 k = 0.5000-0.1180-0.4832 ( 3466 PWs) bands (ev): -20.1137 -20.1137 -20.1137 -20.1137 -19.5688 -19.5688 -19.5686 -19.5686 -19.2727 -19.2727 -19.2727 -19.2727 -4.3272 -4.3272 -4.3263 -4.3263 -2.8279 -2.8279 -2.8230 -2.8230 -2.1273 -2.1273 -2.1139 -2.1139 -1.6451 -1.6451 -1.6388 -1.6388 -0.7503 -0.7503 -0.7464 -0.7464 -0.2618 -0.2618 -0.2563 -0.2563 0.0879 0.0879 0.0890 0.0890 0.3994 0.3994 0.4099 0.4099 0.6997 0.6997 0.7002 0.7002 12.8092 12.8092 12.8103 12.8103 14.3798 14.3798 14.3800 14.3800 16.4649 16.4649 k = 0.5000-0.1090-0.4960 ( 3464 PWs) bands (ev): -20.1070 -20.1070 -20.1069 -20.1069 -19.5784 -19.5784 -19.5782 -19.5782 -19.2708 -19.2708 -19.2708 -19.2708 -4.3086 -4.3086 -4.3077 -4.3077 -2.8430 -2.8430 -2.8381 -2.8381 -2.1191 -2.1191 -2.1054 -2.1054 -1.6587 -1.6587 -1.6522 -1.6522 -0.7351 -0.7351 -0.7306 -0.7306 -0.2348 -0.2348 -0.2290 -0.2290 0.0599 0.0599 0.0601 0.0601 0.3790 0.3790 0.3894 0.3894 0.6996 0.6996 0.6999 0.6999 12.8648 12.8648 12.8659 12.8659 14.3211 14.3211 14.3214 14.3214 16.4743 16.4743 k = 0.5000-0.1000-0.5088 ( 3462 PWs) bands (ev): -20.1004 -20.1004 -20.1004 -20.1004 -19.5875 -19.5875 -19.5873 -19.5873 -19.2690 -19.2690 -19.2690 -19.2690 -4.2906 -4.2906 -4.2896 -4.2896 -2.8575 -2.8575 -2.8528 -2.8528 -2.1111 -2.1111 -2.0972 -2.0972 -1.6712 -1.6712 -1.6645 -1.6645 -0.7194 -0.7194 -0.7145 -0.7145 -0.2099 -0.2099 -0.2035 -0.2035 0.0324 0.0324 0.0333 0.0333 0.3583 0.3583 0.3686 0.3686 0.6994 0.6994 0.6995 0.6995 12.9219 12.9219 12.9231 12.9231 14.2609 14.2609 14.2612 14.2612 16.4857 16.4857 k = 0.5000-0.0911-0.5217 ( 3468 PWs) bands (ev): -20.0942 -20.0942 -20.0942 -20.0942 -19.5961 -19.5961 -19.5959 -19.5959 -19.2674 -19.2674 -19.2673 -19.2673 -4.2734 -4.2734 -4.2724 -4.2724 -2.8713 -2.8713 -2.8666 -2.8666 -2.1036 -2.1036 -2.0895 -2.0895 -1.6827 -1.6827 -1.6758 -1.6758 -0.7034 -0.7034 -0.6979 -0.6979 -0.1882 -0.1882 -0.1810 -0.1810 0.0072 0.0072 0.0094 0.0094 0.3374 0.3374 0.3477 0.3477 0.6990 0.6990 0.6991 0.6991 12.9803 12.9803 12.9815 12.9815 14.1997 14.1997 14.2000 14.2000 16.4988 16.4988 k = 0.5000-0.0821-0.5345 ( 3464 PWs) bands (ev): -20.0883 -20.0883 -20.0883 -20.0883 -19.6041 -19.6041 -19.6039 -19.6039 -19.2659 -19.2659 -19.2658 -19.2658 -4.2571 -4.2571 -4.2560 -4.2560 -2.8842 -2.8842 -2.8797 -2.8797 -2.0964 -2.0964 -2.0822 -2.0822 -1.6929 -1.6929 -1.6859 -1.6859 -0.6872 -0.6872 -0.6811 -0.6811 -0.1715 -0.1715 -0.1637 -0.1637 -0.0131 -0.0131 -0.0098 -0.0098 0.3165 0.3165 0.3267 0.3267 0.6984 0.6984 0.6988 0.6988 13.0397 13.0397 13.0409 13.0409 14.1378 14.1378 14.1381 14.1381 16.5132 16.5132 k = 0.5000-0.0732-0.5473 ( 3464 PWs) bands (ev): -20.0830 -20.0830 -20.0829 -20.0829 -19.6114 -19.6114 -19.6112 -19.6112 -19.2646 -19.2646 -19.2645 -19.2645 -4.2419 -4.2419 -4.2408 -4.2408 -2.8960 -2.8960 -2.8916 -2.8916 -2.0897 -2.0897 -2.0754 -2.0754 -1.7020 -1.7020 -1.6949 -1.6949 -0.6710 -0.6710 -0.6643 -0.6643 -0.1631 -0.1631 -0.1551 -0.1551 -0.0250 -0.0250 -0.0212 -0.0212 0.2958 0.2958 0.3060 0.3060 0.6977 0.6977 0.6983 0.6983 13.0997 13.0997 13.1009 13.1009 14.0758 14.0758 14.0762 14.0762 16.5284 16.5284 k = 0.5000-0.0642-0.5601 ( 3466 PWs) bands (ev): -20.0782 -20.0782 -20.0781 -20.0781 -19.6179 -19.6179 -19.6177 -19.6177 -19.2634 -19.2634 -19.2634 -19.2634 -4.2281 -4.2281 -4.2269 -4.2269 -2.9066 -2.9066 -2.9023 -2.9023 -2.0836 -2.0836 -2.0693 -2.0693 -1.7099 -1.7099 -1.7027 -1.7027 -0.6550 -0.6550 -0.6477 -0.6477 -0.1650 -0.1650 -0.1580 -0.1580 -0.0258 -0.0258 -0.0226 -0.0226 0.2756 0.2756 0.2859 0.2859 0.6969 0.6969 0.6977 0.6977 13.1595 13.1595 13.1607 13.1607 14.0145 14.0145 14.0150 14.0150 16.5441 16.5441 k = 0.5000-0.0552-0.5729 ( 3460 PWs) bands (ev): -20.0741 -20.0741 -20.0740 -20.0740 -19.6235 -19.6235 -19.6233 -19.6233 -19.2624 -19.2624 -19.2623 -19.2623 -4.2157 -4.2157 -4.2145 -4.2145 -2.9158 -2.9158 -2.9117 -2.9117 -2.0782 -2.0782 -2.0639 -2.0639 -1.7165 -1.7165 -1.7093 -1.7093 -0.6395 -0.6395 -0.6316 -0.6316 -0.1756 -0.1756 -0.1702 -0.1702 -0.0174 -0.0174 -0.0156 -0.0156 0.2564 0.2564 0.2668 0.2668 0.6961 0.6961 0.6970 0.6970 13.2182 13.2182 13.2194 13.2194 13.9552 13.9552 13.9557 13.9557 16.5599 16.5599 k = 0.5000-0.0463-0.5857 ( 3466 PWs) bands (ev): -20.0707 -20.0707 -20.0707 -20.0707 -19.6280 -19.6280 -19.6278 -19.6278 -19.2615 -19.2615 -19.2615 -19.2615 -4.2049 -4.2049 -4.2037 -4.2037 -2.9235 -2.9235 -2.9195 -2.9195 -2.0735 -2.0735 -2.0593 -2.0593 -1.7218 -1.7218 -1.7147 -1.7147 -0.6250 -0.6250 -0.6166 -0.6166 -0.1907 -0.1907 -0.1870 -0.1870 -0.0050 -0.0050 -0.0045 -0.0045 0.2389 0.2389 0.2494 0.2494 0.6951 0.6951 0.6963 0.6963 13.2740 13.2740 13.2751 13.2751 13.8995 13.8995 13.9001 13.9001 16.5754 16.5754 k = 0.5000-0.0373-0.5985 ( 3464 PWs) bands (ev): -20.0682 -20.0682 -20.0682 -20.0682 -19.6315 -19.6315 -19.6313 -19.6313 -19.2608 -19.2608 -19.2608 -19.2608 -4.1960 -4.1960 -4.1947 -4.1947 -2.9296 -2.9296 -2.9257 -2.9257 -2.0697 -2.0697 -2.0556 -2.0556 -1.7258 -1.7258 -1.7189 -1.7189 -0.6119 -0.6119 -0.6031 -0.6031 -0.2069 -0.2069 -0.2043 -0.2043 0.0066 0.0066 0.0071 0.0071 0.2242 0.2242 0.2347 0.2347 0.6940 0.6940 0.6954 0.6954 13.3239 13.3239 13.3249 13.3249 13.8506 13.8506 13.8514 13.8514 16.5903 16.5903 k = 0.5000-0.0284-0.6114 ( 3466 PWs) bands (ev): -20.0666 -20.0666 -20.0666 -20.0666 -19.6339 -19.6339 -19.6337 -19.6337 -19.2603 -19.2603 -19.2602 -19.2602 -4.1889 -4.1889 -4.1877 -4.1877 -2.9339 -2.9339 -2.9301 -2.9301 -2.0667 -2.0667 -2.0529 -2.0529 -1.7285 -1.7285 -1.7218 -1.7218 -0.6011 -0.6011 -0.5919 -0.5919 -0.2216 -0.2216 -0.2199 -0.2199 0.0148 0.0148 0.0159 0.0159 0.2137 0.2137 0.2242 0.2242 0.6928 0.6928 0.6945 0.6945 13.3627 13.3627 13.3635 13.3635 13.8138 13.8138 13.8148 13.8148 16.6041 16.6041 k = 0.5000-0.0194-0.6242 ( 3470 PWs) bands (ev): -20.0660 -20.0660 -20.0659 -20.0659 -19.6350 -19.6350 -19.6348 -19.6348 -19.2599 -19.2599 -19.2598 -19.2598 -4.1838 -4.1838 -4.1826 -4.1826 -2.9364 -2.9364 -2.9327 -2.9327 -2.0648 -2.0648 -2.0514 -2.0514 -1.7297 -1.7297 -1.7233 -1.7233 -0.5932 -0.5932 -0.5839 -0.5839 -0.2333 -0.2333 -0.2319 -0.2319 0.0178 0.0178 0.0190 0.0190 0.2092 0.2092 0.2193 0.2193 0.6916 0.6916 0.6935 0.6935 13.3830 13.3830 13.3837 13.3837 13.7965 13.7965 13.7978 13.7978 16.6166 16.6166 k = 0.7554 0.1237-0.2323 ( 3470 PWs) bands (ev): -20.0660 -20.0660 -20.0659 -20.0659 -19.6350 -19.6350 -19.6348 -19.6348 -19.2599 -19.2599 -19.2598 -19.2598 -4.1838 -4.1838 -4.1826 -4.1826 -2.9364 -2.9364 -2.9327 -2.9327 -2.0648 -2.0648 -2.0514 -2.0514 -1.7297 -1.7297 -1.7233 -1.7233 -0.5932 -0.5932 -0.5839 -0.5839 -0.2333 -0.2333 -0.2319 -0.2319 0.0179 0.0179 0.0190 0.0190 0.2092 0.2092 0.2193 0.2193 0.6916 0.6916 0.6935 0.6935 13.3830 13.3830 13.3837 13.3837 13.7965 13.7965 13.7978 13.7978 16.6166 16.6166 k = 0.7477 0.1285-0.2194 ( 3468 PWs) bands (ev): -20.0663 -20.0663 -20.0663 -20.0663 -19.6350 -19.6350 -19.6348 -19.6348 -19.2596 -19.2596 -19.2595 -19.2595 -4.1808 -4.1808 -4.1795 -4.1795 -2.9370 -2.9370 -2.9335 -2.9335 -2.0639 -2.0639 -2.0509 -2.0509 -1.7294 -1.7294 -1.7235 -1.7235 -0.5889 -0.5889 -0.5798 -0.5798 -0.2407 -0.2407 -0.2393 -0.2393 0.0143 0.0143 0.0149 0.0149 0.2115 0.2115 0.2208 0.2208 0.6902 0.6902 0.6925 0.6925 13.3789 13.3789 13.3793 13.3793 13.8049 13.8049 13.8064 13.8064 16.6275 16.6275 k = 0.7400 0.1332-0.2064 ( 3466 PWs) bands (ev): -20.0676 -20.0676 -20.0676 -20.0676 -19.6336 -19.6336 -19.6334 -19.6334 -19.2595 -19.2595 -19.2594 -19.2594 -4.1798 -4.1798 -4.1785 -4.1785 -2.9356 -2.9356 -2.9323 -2.9323 -2.0642 -2.0642 -2.0518 -2.0518 -1.7276 -1.7276 -1.7222 -1.7222 -0.5889 -0.5889 -0.5803 -0.5803 -0.2428 -0.2428 -0.2409 -0.2409 0.0041 0.0041 0.0042 0.0042 0.2200 0.2200 0.2283 0.2283 0.6888 0.6888 0.6913 0.6913 13.3515 13.3515 13.3517 13.3517 13.8378 13.8378 13.8394 13.8394 16.6367 16.6367 k = 0.7322 0.1379-0.1934 ( 3466 PWs) bands (ev): -20.0699 -20.0699 -20.0699 -20.0699 -19.6311 -19.6311 -19.6309 -19.6309 -19.2596 -19.2596 -19.2595 -19.2595 -4.1809 -4.1809 -4.1796 -4.1796 -2.9324 -2.9324 -2.9292 -2.9292 -2.0657 -2.0657 -2.0539 -2.0539 -1.7243 -1.7243 -1.7195 -1.7195 -0.5933 -0.5933 -0.5855 -0.5855 -0.2393 -0.2393 -0.2365 -0.2365 -0.0121 -0.0121 -0.0111 -0.0111 0.2333 0.2333 0.2407 0.2407 0.6873 0.6873 0.6901 0.6901 13.3078 13.3078 13.3080 13.3080 13.8881 13.8881 13.8899 13.8899 16.6437 16.6437 k = 0.7245 0.1427-0.1804 ( 3464 PWs) bands (ev): -20.0731 -20.0731 -20.0731 -20.0731 -19.6274 -19.6274 -19.6272 -19.6272 -19.2598 -19.2598 -19.2597 -19.2597 -4.1840 -4.1840 -4.1827 -4.1827 -2.9274 -2.9274 -2.9242 -2.9242 -2.0685 -2.0685 -2.0574 -2.0574 -1.7194 -1.7194 -1.7152 -1.7152 -0.6018 -0.6018 -0.5949 -0.5949 -0.2305 -0.2305 -0.2266 -0.2266 -0.0321 -0.0321 -0.0303 -0.0303 0.2497 0.2497 0.2562 0.2562 0.6857 0.6857 0.6889 0.6889 13.2545 13.2545 13.2547 13.2547 13.9493 13.9493 13.9512 13.9512 16.6487 16.6487 k = 0.7167 0.1474-0.1675 ( 3464 PWs) bands (ev): -20.0772 -20.0772 -20.0772 -20.0772 -19.6226 -19.6226 -19.6224 -19.6224 -19.2601 -19.2601 -19.2601 -19.2601 -4.1890 -4.1890 -4.1878 -4.1878 -2.9205 -2.9205 -2.9175 -2.9175 -2.0726 -2.0726 -2.0622 -2.0622 -1.7129 -1.7129 -1.7094 -1.7094 -0.6137 -0.6137 -0.6078 -0.6078 -0.2170 -0.2170 -0.2118 -0.2118 -0.0546 -0.0546 -0.0521 -0.0521 0.2678 0.2678 0.2738 0.2738 0.6841 0.6841 0.6875 0.6875 13.1960 13.1960 13.1962 13.1962 14.0171 14.0171 14.0190 14.0190 16.6516 16.6516 k = 0.7090 0.1522-0.1545 ( 3464 PWs) bands (ev): -20.0820 -20.0820 -20.0820 -20.0820 -19.6167 -19.6167 -19.6166 -19.6166 -19.2607 -19.2607 -19.2606 -19.2606 -4.1958 -4.1958 -4.1946 -4.1946 -2.9121 -2.9121 -2.9092 -2.9092 -2.0779 -2.0779 -2.0683 -2.0683 -1.7049 -1.7049 -1.7021 -1.7021 -0.6282 -0.6282 -0.6232 -0.6232 -0.2000 -0.2000 -0.1933 -0.1933 -0.0787 -0.0787 -0.0755 -0.0755 0.2870 0.2870 0.2926 0.2926 0.6824 0.6824 0.6861 0.6861 13.1346 13.1346 13.1348 13.1348 14.0890 14.0890 14.0910 14.0910 16.6526 16.6526 k = 0.7012 0.1569-0.1415 ( 3472 PWs) bands (ev): -20.0875 -20.0875 -20.0875 -20.0875 -19.6100 -19.6100 -19.6098 -19.6098 -19.2614 -19.2614 -19.2613 -19.2613 -4.2043 -4.2043 -4.2031 -4.2031 -2.9021 -2.9021 -2.8993 -2.8993 -2.0846 -2.0846 -2.0758 -2.0758 -1.6954 -1.6954 -1.6933 -1.6933 -0.6444 -0.6444 -0.6403 -0.6403 -0.1809 -0.1809 -0.1724 -0.1724 -0.1034 -0.1034 -0.0992 -0.0992 0.3067 0.3067 0.3119 0.3119 0.6806 0.6806 0.6846 0.6846 13.0717 13.0717 13.0719 13.0719 14.1637 14.1637 14.1657 14.1657 16.6518 16.6518 k = 0.6935 0.1616-0.1285 ( 3468 PWs) bands (ev): -20.0936 -20.0936 -20.0935 -20.0935 -19.6024 -19.6024 -19.6022 -19.6022 -19.2623 -19.2623 -19.2622 -19.2622 -4.2142 -4.2142 -4.2130 -4.2130 -2.8907 -2.8907 -2.8880 -2.8880 -2.0925 -2.0925 -2.0844 -2.0844 -1.6845 -1.6845 -1.6831 -1.6831 -0.6617 -0.6617 -0.6585 -0.6585 -0.1642 -0.1642 -0.1542 -0.1542 -0.1240 -0.1240 -0.1191 -0.1191 0.3264 0.3264 0.3314 0.3314 0.6787 0.6787 0.6831 0.6831 13.0084 13.0084 13.0086 13.0086 14.2402 14.2402 14.2422 14.2422 16.6496 16.6496 k = 0.6858 0.1664-0.1155 ( 3474 PWs) bands (ev): -20.1001 -20.1001 -20.1001 -20.1001 -19.5941 -19.5941 -19.5939 -19.5939 -19.2634 -19.2634 -19.2633 -19.2633 -4.2254 -4.2254 -4.2243 -4.2243 -2.8781 -2.8781 -2.8756 -2.8756 -2.1015 -2.1015 -2.0942 -2.0942 -1.6722 -1.6722 -1.6714 -1.6714 -0.6797 -0.6797 -0.6771 -0.6771 -0.1683 -0.1683 -0.1652 -0.1652 -0.1170 -0.1170 -0.1143 -0.1143 0.3461 0.3461 0.3510 0.3510 0.6768 0.6768 0.6815 0.6815 12.9452 12.9452 12.9454 12.9454 14.3179 14.3179 14.3199 14.3199 16.6462 16.6462 k = 0.6780 0.1711-0.1026 ( 3478 PWs) bands (ev): -20.1070 -20.1070 -20.1070 -20.1070 -19.5852 -19.5852 -19.5850 -19.5850 -19.2646 -19.2646 -19.2645 -19.2645 -4.2378 -4.2378 -4.2366 -4.2366 -2.8644 -2.8644 -2.8620 -2.8620 -2.1117 -2.1117 -2.1050 -2.1050 -1.6585 -1.6585 -1.6583 -1.6583 -0.6978 -0.6978 -0.6958 -0.6958 -0.1913 -0.1913 -0.1913 -0.1913 -0.0954 -0.0954 -0.0888 -0.0888 0.3654 0.3654 0.3703 0.3703 0.6748 0.6748 0.6798 0.6798 12.8825 12.8825 12.8827 12.8827 14.3963 14.3963 14.3984 14.3984 16.6420 16.6420 k = 0.6703 0.1759-0.0896 ( 3478 PWs) bands (ev): -20.1142 -20.1142 -20.1142 -20.1142 -19.5757 -19.5757 -19.5756 -19.5756 -19.2660 -19.2660 -19.2660 -19.2660 -4.2510 -4.2510 -4.2499 -4.2499 -2.8498 -2.8498 -2.8475 -2.8475 -2.1228 -2.1228 -2.1169 -2.1169 -1.6440 -1.6440 -1.6436 -1.6436 -0.7157 -0.7157 -0.7143 -0.7143 -0.2194 -0.2194 -0.2185 -0.2185 -0.0691 -0.0691 -0.0607 -0.0607 0.3844 0.3844 0.3892 0.3892 0.6727 0.6727 0.6780 0.6780 12.8207 12.8207 12.8209 12.8209 14.4751 14.4751 14.4772 14.4772 16.6376 16.6376 k = 0.6625 0.1806-0.0766 ( 3478 PWs) bands (ev): -20.1216 -20.1216 -20.1215 -20.1215 -19.5658 -19.5658 -19.5657 -19.5657 -19.2677 -19.2677 -19.2676 -19.2676 -4.2650 -4.2650 -4.2639 -4.2639 -2.8344 -2.8344 -2.8323 -2.8323 -2.1349 -2.1349 -2.1296 -2.1296 -1.6284 -1.6284 -1.6275 -1.6275 -0.7333 -0.7333 -0.7323 -0.7323 -0.2484 -0.2484 -0.2469 -0.2469 -0.0412 -0.0412 -0.0317 -0.0317 0.4030 0.4030 0.4078 0.4078 0.6705 0.6705 0.6761 0.6761 12.7600 12.7600 12.7602 12.7602 14.5538 14.5538 14.5560 14.5560 16.6331 16.6331 k = 0.6548 0.1853-0.0636 ( 3468 PWs) bands (ev): -20.1291 -20.1291 -20.1290 -20.1290 -19.5556 -19.5556 -19.5555 -19.5555 -19.2695 -19.2695 -19.2694 -19.2694 -4.2795 -4.2795 -4.2785 -4.2785 -2.8184 -2.8184 -2.8164 -2.8164 -2.1479 -2.1479 -2.1431 -2.1431 -1.6116 -1.6116 -1.6103 -1.6103 -0.7504 -0.7504 -0.7498 -0.7498 -0.2777 -0.2777 -0.2760 -0.2760 -0.0126 -0.0126 -0.0022 -0.0022 0.4209 0.4209 0.4258 0.4258 0.6682 0.6682 0.6741 0.6741 12.7007 12.7007 12.7009 12.7009 14.6322 14.6322 14.6344 14.6344 16.6292 16.6292 k = 0.6471 0.1901-0.0507 ( 3476 PWs) bands (ev): -20.1366 -20.1366 -20.1365 -20.1365 -19.5451 -19.5451 -19.5450 -19.5450 -19.2715 -19.2715 -19.2715 -19.2715 -4.2944 -4.2944 -4.2935 -4.2935 -2.8018 -2.8018 -2.7999 -2.7999 -2.1616 -2.1616 -2.1573 -2.1573 -1.5939 -1.5939 -1.5922 -1.5922 -0.7667 -0.7667 -0.7665 -0.7665 -0.3075 -0.3075 -0.3055 -0.3055 0.0163 0.0163 0.0275 0.0275 0.4383 0.4383 0.4433 0.4433 0.6659 0.6659 0.6721 0.6721 12.6430 12.6430 12.6432 12.6432 14.7099 14.7099 14.7121 14.7121 16.6263 16.6263 k = 0.6393 0.1948-0.0377 ( 3482 PWs) bands (ev): -20.1441 -20.1441 -20.1440 -20.1440 -19.5344 -19.5344 -19.5343 -19.5343 -19.2738 -19.2738 -19.2737 -19.2737 -4.3095 -4.3095 -4.3086 -4.3086 -2.7848 -2.7848 -2.7831 -2.7831 -2.1759 -2.1759 -2.1721 -2.1721 -1.5752 -1.5752 -1.5731 -1.5731 -0.7824 -0.7824 -0.7823 -0.7823 -0.3374 -0.3374 -0.3354 -0.3354 0.0453 0.0453 0.0571 0.0571 0.4551 0.4551 0.4601 0.4601 0.6635 0.6635 0.6699 0.6699 12.5871 12.5871 12.5873 12.5873 14.7865 14.7865 14.7888 14.7888 16.6248 16.6248 k = 0.6316 0.1996-0.0247 ( 3484 PWs) bands (ev): -20.1514 -20.1514 -20.1514 -20.1514 -19.5236 -19.5236 -19.5235 -19.5235 -19.2762 -19.2762 -19.2762 -19.2762 -4.3247 -4.3247 -4.3238 -4.3238 -2.7675 -2.7675 -2.7659 -2.7659 -2.1907 -2.1907 -2.1874 -2.1874 -1.5557 -1.5557 -1.5533 -1.5533 -0.7974 -0.7974 -0.7971 -0.7971 -0.3676 -0.3676 -0.3654 -0.3654 0.0741 0.0741 0.0865 0.0865 0.4712 0.4712 0.4763 0.4763 0.6610 0.6610 0.6676 0.6676 12.5331 12.5331 12.5333 12.5333 14.8617 14.8617 14.8640 14.8640 16.6252 16.6252 k = 0.6238 0.2043-0.0117 ( 3482 PWs) bands (ev): -20.1586 -20.1586 -20.1586 -20.1586 -19.5127 -19.5127 -19.5126 -19.5126 -19.2789 -19.2789 -19.2789 -19.2789 -4.3397 -4.3397 -4.3389 -4.3389 -2.7500 -2.7500 -2.7485 -2.7485 -2.2061 -2.2061 -2.2032 -2.2032 -1.5354 -1.5354 -1.5328 -1.5328 -0.8114 -0.8114 -0.8108 -0.8108 -0.3978 -0.3978 -0.3956 -0.3956 0.1024 0.1024 0.1153 0.1153 0.4865 0.4865 0.4918 0.4918 0.6584 0.6584 0.6652 0.6652 12.4813 12.4813 12.4815 12.4815 14.9350 14.9350 14.9374 14.9374 16.6279 16.6279 k = 0.6161 0.2090 0.0013 ( 3486 PWs) bands (ev): -20.1656 -20.1656 -20.1656 -20.1656 -19.5018 -19.5018 -19.5017 -19.5017 -19.2819 -19.2819 -19.2818 -19.2818 -4.3545 -4.3545 -4.3538 -4.3538 -2.7323 -2.7323 -2.7310 -2.7310 -2.2218 -2.2218 -2.2193 -2.2193 -1.5145 -1.5145 -1.5117 -1.5117 -0.8244 -0.8244 -0.8236 -0.8236 -0.4281 -0.4281 -0.4259 -0.4259 0.1302 0.1302 0.1435 0.1435 0.5012 0.5012 0.5066 0.5066 0.6558 0.6558 0.6627 0.6627 12.4317 12.4317 12.4319 12.4319 15.0060 15.0060 15.0085 15.0085 16.6336 16.6336 k = 0.6084 0.2138 0.0142 ( 3484 PWs) bands (ev): -20.1723 -20.1723 -20.1723 -20.1723 -19.4909 -19.4909 -19.4908 -19.4908 -19.2850 -19.2850 -19.2850 -19.2850 -4.3689 -4.3689 -4.3682 -4.3682 -2.7146 -2.7146 -2.7134 -2.7134 -2.2379 -2.2379 -2.2357 -2.2357 -1.4932 -1.4932 -1.4902 -1.4902 -0.8362 -0.8362 -0.8352 -0.8352 -0.4584 -0.4584 -0.4562 -0.4562 0.1572 0.1572 0.1708 0.1708 0.5151 0.5151 0.5206 0.5206 0.6531 0.6531 0.6601 0.6601 12.3846 12.3846 12.3848 12.3848 15.0743 15.0743 15.0768 15.0768 16.6426 16.6426 k = 0.6006 0.2185 0.0272 ( 3480 PWs) bands (ev): -20.1788 -20.1788 -20.1787 -20.1787 -19.4800 -19.4800 -19.4799 -19.4799 -19.2884 -19.2884 -19.2884 -19.2884 -4.3829 -4.3829 -4.3822 -4.3822 -2.6968 -2.6968 -2.6957 -2.6957 -2.2541 -2.2541 -2.2523 -2.2523 -1.4716 -1.4716 -1.4685 -1.4685 -0.8468 -0.8468 -0.8457 -0.8457 -0.4886 -0.4886 -0.4864 -0.4864 0.1833 0.1833 0.1971 0.1971 0.5281 0.5281 0.5338 0.5338 0.6504 0.6504 0.6574 0.6574 12.3400 12.3400 12.3402 12.3402 15.1394 15.1394 15.1419 15.1419 16.6554 16.6554 k = 0.5929 0.2232 0.0402 ( 3484 PWs) bands (ev): -20.1849 -20.1849 -20.1848 -20.1848 -19.4693 -19.4693 -19.4692 -19.4692 -19.2921 -19.2921 -19.2921 -19.2921 -4.3962 -4.3962 -4.3956 -4.3956 -2.6790 -2.6790 -2.6780 -2.6780 -2.2706 -2.2706 -2.2690 -2.2690 -1.4498 -1.4498 -1.4466 -1.4466 -0.8562 -0.8562 -0.8549 -0.8549 -0.5186 -0.5186 -0.5165 -0.5165 0.2083 0.2083 0.2223 0.2223 0.5404 0.5404 0.5462 0.5462 0.6477 0.6477 0.6546 0.6546 12.2982 12.2982 12.2984 12.2984 15.2008 15.2008 15.2033 15.2033 16.6725 16.6725 k = 0.5851 0.2280 0.0532 ( 3482 PWs) bands (ev): -20.1906 -20.1906 -20.1905 -20.1905 -19.4588 -19.4588 -19.4587 -19.4587 -19.2960 -19.2960 -19.2960 -19.2960 -4.4088 -4.4088 -4.4083 -4.4083 -2.6612 -2.6612 -2.6604 -2.6604 -2.2872 -2.2872 -2.2859 -2.2859 -1.4281 -1.4281 -1.4249 -1.4249 -0.8642 -0.8642 -0.8628 -0.8628 -0.5484 -0.5484 -0.5464 -0.5464 0.2322 0.2322 0.2461 0.2461 0.5517 0.5517 0.5577 0.5577 0.6450 0.6450 0.6518 0.6518 12.2592 12.2592 12.2593 12.2593 15.2580 15.2580 15.2605 15.2605 16.6943 16.6943 k = 0.5774 0.2327 0.0661 ( 3484 PWs) bands (ev): -20.1959 -20.1959 -20.1958 -20.1958 -19.4484 -19.4484 -19.4483 -19.4483 -19.3003 -19.3003 -19.3002 -19.3002 -4.4206 -4.4206 -4.4201 -4.4201 -2.6436 -2.6436 -2.6429 -2.6429 -2.3039 -2.3039 -2.3029 -2.3029 -1.4067 -1.4067 -1.4034 -1.4034 -0.8707 -0.8707 -0.8693 -0.8693 -0.5779 -0.5779 -0.5759 -0.5759 0.2547 0.2547 0.2684 0.2684 0.5621 0.5621 0.5683 0.5683 0.6424 0.6424 0.6489 0.6489 12.2232 12.2232 12.2233 12.2233 15.3107 15.3107 15.3131 15.3131 16.7212 16.7212 k = 0.5697 0.2375 0.0791 ( 3482 PWs) bands (ev): -20.2008 -20.2008 -20.2007 -20.2007 -19.4382 -19.4382 -19.4381 -19.4381 -19.3047 -19.3047 -19.3047 -19.3047 -4.4316 -4.4316 -4.4311 -4.4311 -2.6260 -2.6260 -2.6254 -2.6254 -2.3207 -2.3207 -2.3198 -2.3198 -1.3858 -1.3858 -1.3826 -1.3826 -0.8756 -0.8756 -0.8742 -0.8742 -0.6070 -0.6070 -0.6051 -0.6051 0.2758 0.2758 0.2892 0.2892 0.5715 0.5715 0.5779 0.5779 0.6400 0.6400 0.6459 0.6459 12.1902 12.1902 12.1903 12.1903 15.3584 15.3584 15.3607 15.3607 16.7533 16.7533 k = 0.5619 0.2422 0.0921 ( 3484 PWs) bands (ev): -20.2052 -20.2052 -20.2052 -20.2052 -19.4282 -19.4282 -19.4282 -19.4282 -19.3095 -19.3095 -19.3095 -19.3095 -4.4415 -4.4415 -4.4412 -4.4412 -2.6085 -2.6085 -2.6081 -2.6081 -2.3375 -2.3375 -2.3368 -2.3368 -1.3657 -1.3657 -1.3625 -1.3625 -0.8788 -0.8788 -0.8774 -0.8774 -0.6355 -0.6355 -0.6337 -0.6337 0.2954 0.2954 0.3082 0.3082 0.5798 0.5798 0.5864 0.5864 0.6378 0.6378 0.6431 0.6431 12.1604 12.1604 12.1605 12.1605 15.4010 15.4010 15.4032 15.4032 16.7909 16.7909 k = 0.5542 0.2469 0.1051 ( 3486 PWs) bands (ev): -20.2091 -20.2091 -20.2091 -20.2091 -19.4185 -19.4185 -19.4185 -19.4185 -19.3146 -19.3146 -19.3146 -19.3146 -4.4505 -4.4505 -4.4502 -4.4502 -2.5912 -2.5912 -2.5908 -2.5908 -2.3543 -2.3543 -2.3537 -2.3537 -1.3466 -1.3466 -1.3436 -1.3436 -0.8801 -0.8801 -0.8787 -0.8787 -0.6634 -0.6634 -0.6617 -0.6617 0.3132 0.3132 0.3253 0.3253 0.5869 0.5869 0.5938 0.5938 0.6361 0.6361 0.6404 0.6404 12.1339 12.1339 12.1340 12.1340 15.4383 15.4383 15.4403 15.4403 16.8337 16.8338 k = 0.5464 0.2517 0.1181 ( 3490 PWs) bands (ev): -20.2126 -20.2126 -20.2126 -20.2126 -19.4091 -19.4091 -19.4091 -19.4091 -19.3200 -19.3200 -19.3199 -19.3199 -4.4584 -4.4584 -4.4581 -4.4581 -2.5740 -2.5740 -2.5737 -2.5737 -2.3711 -2.3711 -2.3707 -2.3707 -1.3290 -1.3290 -1.3263 -1.3263 -0.8793 -0.8793 -0.8780 -0.8780 -0.6904 -0.6904 -0.6889 -0.6889 0.3292 0.3292 0.3403 0.3403 0.5928 0.5928 0.5998 0.5998 0.6348 0.6348 0.6380 0.6380 12.1107 12.1107 12.1108 12.1108 15.4702 15.4702 15.4720 15.4720 16.8818 16.8819 k = 0.5387 0.2564 0.1310 ( 3488 PWs) bands (ev): -20.2156 -20.2156 -20.2155 -20.2155 -19.4000 -19.4000 -19.3999 -19.3999 -19.3256 -19.3256 -19.3256 -19.3256 -4.4651 -4.4651 -4.4649 -4.4649 -2.5568 -2.5568 -2.5567 -2.5567 -2.3878 -2.3878 -2.3875 -2.3875 -1.3132 -1.3132 -1.3107 -1.3107 -0.8763 -0.8763 -0.8751 -0.8751 -0.7164 -0.7164 -0.7151 -0.7151 0.3433 0.3433 0.3531 0.3531 0.5974 0.5974 0.6044 0.6044 0.6340 0.6340 0.6362 0.6362 12.0910 12.0910 12.0911 12.0911 15.4968 15.4968 15.4984 15.4984 16.9348 16.9348 k = 0.5310 0.2612 0.1440 ( 3486 PWs) bands (ev): -20.2180 -20.2180 -20.2180 -20.2180 -19.3911 -19.3911 -19.3911 -19.3911 -19.3316 -19.3316 -19.3316 -19.3316 -4.4707 -4.4707 -4.4705 -4.4705 -2.5399 -2.5399 -2.5397 -2.5397 -2.4045 -2.4045 -2.4043 -2.4043 -1.2995 -1.2995 -1.2974 -1.2974 -0.8709 -0.8709 -0.8699 -0.8699 -0.7412 -0.7412 -0.7401 -0.7401 0.3554 0.3554 0.3637 0.3637 0.6009 0.6009 0.6075 0.6075 0.6339 0.6339 0.6351 0.6351 12.0748 12.0748 12.0748 12.0748 15.5183 15.5183 15.5196 15.5196 16.9922 16.9922 k = 0.5232 0.2659 0.1570 ( 3482 PWs) bands (ev): -20.2199 -20.2199 -20.2199 -20.2199 -19.3825 -19.3825 -19.3825 -19.3825 -19.3379 -19.3379 -19.3379 -19.3379 -4.4751 -4.4751 -4.4749 -4.4749 -2.5230 -2.5230 -2.5229 -2.5229 -2.4211 -2.4211 -2.4210 -2.4210 -1.2883 -1.2883 -1.2867 -1.2867 -0.8630 -0.8630 -0.8621 -0.8621 -0.7646 -0.7646 -0.7637 -0.7637 0.3652 0.3652 0.3717 0.3717 0.6033 0.6033 0.6090 0.6090 0.6342 0.6342 0.6347 0.6347 12.0621 12.0621 12.0621 12.0621 15.5348 15.5348 15.5358 15.5358 17.0536 17.0537 k = 0.5155 0.2706 0.1700 ( 3484 PWs) bands (ev): -20.2213 -20.2213 -20.2213 -20.2213 -19.3743 -19.3743 -19.3743 -19.3743 -19.3446 -19.3446 -19.3445 -19.3445 -4.4782 -4.4782 -4.4781 -4.4781 -2.5064 -2.5064 -2.5063 -2.5063 -2.4376 -2.4376 -2.4375 -2.4375 -1.2800 -1.2800 -1.2789 -1.2789 -0.8524 -0.8524 -0.8519 -0.8519 -0.7863 -0.7863 -0.7857 -0.7857 0.3727 0.3727 0.3772 0.3772 0.6051 0.6051 0.6092 0.6092 0.6346 0.6346 0.6348 0.6348 12.0530 12.0530 12.0530 12.0530 15.5465 15.5465 15.5472 15.5472 17.1183 17.1184 k = 0.5077 0.2754 0.1829 ( 3488 PWs) bands (ev): -20.2221 -20.2221 -20.2221 -20.2221 -19.3664 -19.3664 -19.3664 -19.3664 -19.3515 -19.3515 -19.3515 -19.3515 -4.4801 -4.4801 -4.4800 -4.4800 -2.4903 -2.4903 -2.4903 -2.4903 -2.4536 -2.4536 -2.4536 -2.4536 -1.2748 -1.2748 -1.2742 -1.2742 -0.8393 -0.8393 -0.8391 -0.8391 -0.8061 -0.8061 -0.8058 -0.8058 0.3777 0.3777 0.3800 0.3800 0.6065 0.6065 0.6086 0.6086 0.6350 0.6350 0.6350 0.6350 12.0475 12.0475 12.0476 12.0476 15.5536 15.5536 15.5539 15.5539 17.1858 17.1859 k = 0.5000 0.2801 0.1959 ( 3498 PWs) bands (ev): -20.2224 -20.2224 -20.2224 -20.2224 -19.3592 -19.3592 -19.3592 -19.3592 -19.3584 -19.3584 -19.3584 -19.3584 -4.4807 -4.4807 -4.4807 -4.4807 -2.4793 -2.4793 -2.4793 -2.4793 -2.4646 -2.4646 -2.4646 -2.4646 -1.2729 -1.2729 -1.2729 -1.2729 -0.8244 -0.8244 -0.8244 -0.8244 -0.8230 -0.8230 -0.8230 -0.8230 0.3802 0.3802 0.3802 0.3802 0.6077 0.6077 0.6077 0.6077 0.6352 0.6352 0.6352 0.6352 12.0457 12.0457 12.0457 12.0457 15.5560 15.5560 15.5560 15.5560 17.2554 17.2555 k = 0.5000 0.2801 0.1959 ( 3498 PWs) bands (ev): -20.2224 -20.2224 -20.2224 -20.2224 -19.3592 -19.3592 -19.3592 -19.3592 -19.3584 -19.3584 -19.3584 -19.3584 -4.4807 -4.4807 -4.4807 -4.4807 -2.4793 -2.4793 -2.4793 -2.4793 -2.4646 -2.4646 -2.4646 -2.4646 -1.2729 -1.2729 -1.2729 -1.2729 -0.8244 -0.8244 -0.8244 -0.8244 -0.8230 -0.8230 -0.8230 -0.8230 0.3802 0.3802 0.3802 0.3802 0.6077 0.6077 0.6077 0.6077 0.6352 0.6352 0.6352 0.6352 12.0457 12.0457 12.0457 12.0457 15.5560 15.5560 15.5560 15.5560 17.2554 17.2554 k = 0.4868 0.2728 0.1908 ( 3492 PWs) bands (ev): -20.2475 -20.2475 -20.1971 -20.1971 -19.3671 -19.3671 -19.3662 -19.3662 -19.3513 -19.3513 -19.3505 -19.3505 -4.5324 -4.5324 -4.4295 -4.4295 -2.5239 -2.5239 -2.5097 -2.5097 -2.4347 -2.4347 -2.4195 -2.4195 -1.3200 -1.3200 -1.2242 -1.2242 -0.8684 -0.8684 -0.8673 -0.8673 -0.7803 -0.7803 -0.7786 -0.7786 0.3647 0.3647 0.3955 0.3955 0.5973 0.5973 0.6185 0.6185 0.6249 0.6249 0.6459 0.6459 11.9385 11.9385 12.1527 12.1527 15.5412 15.5412 15.5673 15.5673 17.1948 17.1949 k = 0.4737 0.2654 0.1856 ( 3486 PWs) bands (ev): -20.2725 -20.2725 -20.1716 -20.1716 -19.3749 -19.3749 -19.3740 -19.3740 -19.3433 -19.3433 -19.3426 -19.3426 -4.5844 -4.5844 -4.3788 -4.3788 -2.5685 -2.5685 -2.5547 -2.5547 -2.3903 -2.3903 -2.3746 -2.3746 -1.3656 -1.3656 -1.1740 -1.1740 -0.9120 -0.9120 -0.9113 -0.9113 -0.7361 -0.7361 -0.7342 -0.7342 0.3491 0.3491 0.4106 0.4106 0.5873 0.5873 0.6150 0.6150 0.6298 0.6298 0.6571 0.6571 11.8312 11.8312 12.2594 12.2594 15.5228 15.5228 15.5749 15.5749 17.1337 17.1340 k = 0.4605 0.2580 0.1804 ( 3492 PWs) bands (ev): -20.2973 -20.2973 -20.1462 -20.1462 -19.3827 -19.3827 -19.3818 -19.3818 -19.3354 -19.3354 -19.3347 -19.3347 -4.6368 -4.6368 -4.3289 -4.3289 -2.6130 -2.6130 -2.5995 -2.5995 -2.3461 -2.3461 -2.3299 -2.3299 -1.4096 -1.4096 -1.1225 -1.1225 -0.9553 -0.9553 -0.9550 -0.9550 -0.6920 -0.6920 -0.6898 -0.6898 0.3334 0.3334 0.4254 0.4254 0.5778 0.5778 0.6056 0.6056 0.6416 0.6416 0.6687 0.6687 11.7240 11.7240 12.3656 12.3656 15.5011 15.5011 15.5790 15.5790 17.0726 17.0726 k = 0.4474 0.2506 0.1753 ( 3492 PWs) bands (ev): -20.3218 -20.3218 -20.1207 -20.1207 -19.3904 -19.3904 -19.3895 -19.3895 -19.3275 -19.3275 -19.3268 -19.3268 -4.6894 -4.6894 -4.2797 -4.2797 -2.6572 -2.6572 -2.6441 -2.6441 -2.3024 -2.3024 -2.2856 -2.2856 -1.4520 -1.4520 -1.0695 -1.0695 -0.9982 -0.9982 -0.9981 -0.9981 -0.6479 -0.6479 -0.6456 -0.6456 0.3176 0.3176 0.4400 0.4400 0.5687 0.5687 0.5966 0.5966 0.6538 0.6538 0.6808 0.6808 11.6170 11.6170 12.4711 12.4711 15.4762 15.4762 15.5796 15.5796 17.0113 17.0114 k = 0.4342 0.2433 0.1701 ( 3489 PWs) bands (ev): -20.3460 -20.3460 -20.0953 -20.0953 -19.3980 -19.3980 -19.3971 -19.3971 -19.3196 -19.3196 -19.3189 -19.3189 -4.7420 -4.7420 -4.2313 -4.2313 -2.7010 -2.7010 -2.6882 -2.6882 -2.2592 -2.2592 -2.2418 -2.2418 -1.4928 -1.4928 -1.0409 -1.0409 -1.0403 -1.0403 -1.0152 -1.0152 -0.6041 -0.6041 -0.6016 -0.6016 0.3017 0.3017 0.4544 0.4544 0.5601 0.5601 0.5881 0.5881 0.6665 0.6665 0.6933 0.6933 11.5103 11.5103 12.5759 12.5759 15.4482 15.4482 15.5768 15.5768 16.9500 16.9500 k = 0.4211 0.2359 0.1650 ( 3492 PWs) bands (ev): -20.3699 -20.3699 -20.0699 -20.0699 -19.4056 -19.4056 -19.4046 -19.4046 -19.3117 -19.3117 -19.3111 -19.3111 -4.7946 -4.7946 -4.1838 -4.1838 -2.7444 -2.7444 -2.7320 -2.7320 -2.2167 -2.2167 -2.1986 -2.1986 -1.5320 -1.5320 -1.0829 -1.0829 -1.0818 -1.0818 -0.9599 -0.9599 -0.5605 -0.5605 -0.5578 -0.5578 0.2858 0.2858 0.4684 0.4684 0.5518 0.5518 0.5799 0.5799 0.6795 0.6795 0.7062 0.7062 11.4041 11.4041 12.6797 12.6797 15.4175 15.4175 15.5707 15.5707 16.8887 16.8887 k = 0.4079 0.2285 0.1598 ( 3483 PWs) bands (ev): -20.3935 -20.3935 -20.0447 -20.0447 -19.4130 -19.4130 -19.4120 -19.4120 -19.3039 -19.3039 -19.3033 -19.3033 -4.8471 -4.8471 -4.1373 -4.1373 -2.7873 -2.7873 -2.7752 -2.7752 -2.1750 -2.1750 -2.1562 -2.1562 -1.5695 -1.5695 -1.1240 -1.1240 -1.1223 -1.1223 -0.9034 -0.9034 -0.5174 -0.5174 -0.5145 -0.5145 0.2700 0.2700 0.4821 0.4821 0.5440 0.5440 0.5722 0.5722 0.6930 0.6930 0.7196 0.7196 11.2985 11.2985 12.7825 12.7825 15.3842 15.3842 15.5617 15.5617 16.8274 16.8274 k = 0.3947 0.2212 0.1547 ( 3477 PWs) bands (ev): -20.4166 -20.4166 -20.0196 -20.0196 -19.4203 -19.4203 -19.4192 -19.4192 -19.2961 -19.2961 -19.2956 -19.2956 -4.8993 -4.8993 -4.0918 -4.0918 -2.8296 -2.8296 -2.8178 -2.8178 -2.1344 -2.1344 -2.1147 -2.1147 -1.6054 -1.6054 -1.1642 -1.1642 -1.1618 -1.1618 -0.8459 -0.8459 -0.4746 -0.4746 -0.4716 -0.4716 0.2541 0.2541 0.4954 0.4954 0.5366 0.5366 0.5648 0.5648 0.7069 0.7069 0.7333 0.7333 11.1937 11.1937 12.8840 12.8840 15.3486 15.3486 15.5500 15.5500 16.7661 16.7661 k = 0.3816 0.2138 0.1495 ( 3489 PWs) bands (ev): -20.4393 -20.4393 -19.9947 -19.9947 -19.4275 -19.4275 -19.4264 -19.4264 -19.2884 -19.2884 -19.2879 -19.2879 -4.9512 -4.9512 -4.0473 -4.0473 -2.8712 -2.8712 -2.8597 -2.8597 -2.0950 -2.0950 -2.0744 -2.0744 -1.6397 -1.6397 -1.2034 -1.2034 -1.2002 -1.2002 -0.7875 -0.7875 -0.4324 -0.4324 -0.4292 -0.4292 0.2384 0.2384 0.5083 0.5083 0.5296 0.5296 0.5578 0.5578 0.7212 0.7212 0.7474 0.7474 11.0897 11.0897 12.9841 12.9841 15.3110 15.3110 15.5358 15.5358 16.7050 16.7050 k = 0.3684 0.2064 0.1444 ( 3495 PWs) bands (ev): -20.4615 -20.4615 -19.9702 -19.9702 -19.4345 -19.4345 -19.4334 -19.4334 -19.2809 -19.2809 -19.2804 -19.2804 -5.0026 -5.0026 -4.0040 -4.0040 -2.9121 -2.9121 -2.9009 -2.9009 -2.0570 -2.0570 -2.0354 -2.0354 -1.6724 -1.6724 -1.2412 -1.2412 -1.2370 -1.2370 -0.7284 -0.7284 -0.3909 -0.3909 -0.3875 -0.3875 0.2228 0.2228 0.5206 0.5206 0.5233 0.5233 0.5512 0.5512 0.7358 0.7358 0.7618 0.7618 10.9868 10.9868 13.0826 13.0826 15.2716 15.2716 15.5195 15.5195 16.6441 16.6441 k = 0.3553 0.1990 0.1392 ( 3489 PWs) bands (ev): -20.4832 -20.4832 -19.9459 -19.9459 -19.4414 -19.4414 -19.4403 -19.4403 -19.2734 -19.2734 -19.2729 -19.2729 -5.0534 -5.0534 -3.9619 -3.9619 -2.9522 -2.9522 -2.9412 -2.9412 -2.0206 -2.0206 -1.9979 -1.9979 -1.7036 -1.7036 -1.2775 -1.2775 -1.2723 -1.2723 -0.6688 -0.6688 -0.3500 -0.3500 -0.3464 -0.3464 0.2073 0.2073 0.5165 0.5165 0.5332 0.5332 0.5450 0.5450 0.7507 0.7507 0.7766 0.7766 10.8851 10.8851 13.1793 13.1793 15.2309 15.2309 15.5014 15.5014 16.5835 16.5835 k = 0.3421 0.1917 0.1340 ( 3483 PWs) bands (ev): -20.5044 -20.5044 -19.9219 -19.9219 -19.4481 -19.4481 -19.4470 -19.4470 -19.2661 -19.2661 -19.2656 -19.2656 -5.1035 -5.1035 -3.9210 -3.9210 -2.9913 -2.9913 -2.9807 -2.9807 -1.9863 -1.9863 -1.9624 -1.9624 -1.7332 -1.7332 -1.3119 -1.3119 -1.3055 -1.3055 -0.6086 -0.6086 -0.3098 -0.3098 -0.3060 -0.3060 0.1920 0.1920 0.5105 0.5105 0.5391 0.5391 0.5450 0.5450 0.7659 0.7659 0.7916 0.7916 10.7848 10.7848 13.2739 13.2739 15.1890 15.1890 15.4821 15.4821 16.5233 16.5233 k = 0.3289 0.1843 0.1289 ( 3480 PWs) bands (ev): -20.5250 -20.5250 -19.8984 -19.8984 -19.4546 -19.4546 -19.4535 -19.4535 -19.2588 -19.2588 -19.2584 -19.2584 -5.1527 -5.1527 -3.8814 -3.8814 -3.0295 -3.0295 -3.0191 -3.0191 -1.9544 -1.9544 -1.9290 -1.9290 -1.7613 -1.7613 -1.3442 -1.3442 -1.3365 -1.3365 -0.5482 -0.5482 -0.2704 -0.2704 -0.2665 -0.2665 0.1770 0.1770 0.5049 0.5049 0.5335 0.5335 0.5563 0.5563 0.7813 0.7813 0.8068 0.8068 10.6859 10.6859 13.3663 13.3663 15.1463 15.1463 15.4617 15.4617 16.4637 16.4637 k = 0.3158 0.1769 0.1237 ( 3480 PWs) bands (ev): -20.5451 -20.5451 -19.8753 -19.8753 -19.4610 -19.4610 -19.4598 -19.4598 -19.2518 -19.2518 -19.2514 -19.2514 -5.2011 -5.2011 -3.8431 -3.8431 -3.0667 -3.0667 -3.0566 -3.0566 -1.9253 -1.9253 -1.8984 -1.8984 -1.7879 -1.7879 -1.3740 -1.3740 -1.3647 -1.3647 -0.4877 -0.4877 -0.2319 -0.2319 -0.2278 -0.2278 0.1622 0.1622 0.4996 0.4996 0.5283 0.5283 0.5672 0.5672 0.7969 0.7969 0.8222 0.8222 10.5888 10.5888 13.4562 13.4562 15.1030 15.1030 15.4409 15.4409 16.4048 16.4048 k = 0.3026 0.1695 0.1186 ( 3486 PWs) bands (ev): -20.5645 -20.5645 -19.8527 -19.8527 -19.4672 -19.4672 -19.4660 -19.4660 -19.2449 -19.2449 -19.2446 -19.2446 -5.2484 -5.2484 -3.8061 -3.8061 -3.1029 -3.1029 -3.0929 -3.0929 -1.8995 -1.8995 -1.8711 -1.8711 -1.8129 -1.8129 -1.4006 -1.4006 -1.3896 -1.3896 -0.4273 -0.4273 -0.1944 -0.1944 -0.1900 -0.1900 0.1477 0.1477 0.4947 0.4947 0.5234 0.5234 0.5777 0.5777 0.8126 0.8126 0.8377 0.8377 10.4935 10.4935 13.5433 13.5433 15.0594 15.0594 15.4201 15.4201 16.3467 16.3467 k = 0.2895 0.1622 0.1134 ( 3486 PWs) bands (ev): -20.5833 -20.5833 -19.8307 -19.8307 -19.4732 -19.4732 -19.4719 -19.4719 -19.2382 -19.2382 -19.2379 -19.2379 -5.2946 -5.2946 -3.7704 -3.7704 -3.1378 -3.1378 -3.1281 -3.1281 -1.8777 -1.8777 -1.8491 -1.8491 -1.8351 -1.8351 -1.4234 -1.4234 -1.4108 -1.4108 -0.3672 -0.3672 -0.1578 -0.1578 -0.1532 -0.1532 0.1335 0.1335 0.4900 0.4900 0.5187 0.5187 0.5877 0.5877 0.8283 0.8283 0.8532 0.8532 10.4001 10.4001 13.6272 13.6272 15.0158 15.0158 15.3996 15.3996 16.2895 16.2895 k = 0.2763 0.1548 0.1083 ( 3480 PWs) bands (ev): -20.6014 -20.6014 -19.8093 -19.8093 -19.4789 -19.4789 -19.4777 -19.4777 -19.2317 -19.2317 -19.2314 -19.2314 -5.3396 -5.3396 -3.7362 -3.7362 -3.1716 -3.1716 -3.1621 -3.1621 -1.8603 -1.8603 -1.8603 -1.8603 -1.8275 -1.8275 -1.4417 -1.4417 -1.4275 -1.4275 -0.3076 -0.3076 -0.1224 -0.1224 -0.1175 -0.1175 0.1198 0.1198 0.4856 0.4856 0.5144 0.5144 0.5973 0.5973 0.8441 0.8441 0.8688 0.8688 10.3090 10.3090 13.7078 13.7078 14.9724 14.9724 15.3800 15.3800 16.2334 16.2334 k = 0.2632 0.1474 0.1031 ( 3486 PWs) bands (ev): -20.6188 -20.6188 -19.7885 -19.7885 -19.4845 -19.4845 -19.4832 -19.4832 -19.2254 -19.2254 -19.2251 -19.2251 -5.3832 -5.3832 -3.7034 -3.7034 -3.2042 -3.2042 -3.1949 -3.1949 -1.8810 -1.8810 -1.8481 -1.8481 -1.8144 -1.8144 -1.4547 -1.4547 -1.4392 -1.4392 -0.2487 -0.2487 -0.0880 -0.0880 -0.0828 -0.0828 0.1064 0.1064 0.4815 0.4815 0.5104 0.5104 0.6063 0.6063 0.8597 0.8597 0.8842 0.8842 10.2203 10.2203 13.7845 13.7845 14.9295 14.9295 15.3618 15.3618 16.1786 16.1786 k = 0.2500 0.1401 0.0980 ( 3477 PWs) bands (ev): -20.6355 -20.6355 -19.7684 -19.7684 -19.4898 -19.4898 -19.4885 -19.4885 -19.2192 -19.2192 -19.2190 -19.2190 -5.4253 -5.4253 -3.6720 -3.6720 -3.2355 -3.2355 -3.2263 -3.2263 -1.9007 -1.9007 -1.8411 -1.8411 -1.8069 -1.8069 -1.4619 -1.4619 -1.4458 -1.4458 -0.1907 -0.1907 -0.0548 -0.0548 -0.0493 -0.0493 0.0936 0.0936 0.4777 0.4777 0.5067 0.5067 0.6150 0.6150 0.8752 0.8752 0.8996 0.8996 10.1341 10.1341 13.8571 13.8571 14.8873 14.8873 15.3455 15.3455 16.1252 16.1252 k = 0.2368 0.1327 0.0928 ( 3462 PWs) bands (ev): -20.6515 -20.6515 -19.7490 -19.7490 -19.4949 -19.4949 -19.4936 -19.4936 -19.2134 -19.2134 -19.2131 -19.2131 -5.4659 -5.4659 -3.6421 -3.6421 -3.2654 -3.2654 -3.2564 -3.2564 -1.9191 -1.9191 -1.8393 -1.8393 -1.8052 -1.8052 -1.4634 -1.4634 -1.4474 -1.4474 -0.1340 -0.1340 -0.0228 -0.0228 -0.0171 -0.0171 0.0815 0.0815 0.4742 0.4742 0.5032 0.5032 0.6231 0.6231 0.8905 0.8905 0.9147 0.9147 10.0507 10.0507 13.9251 13.9251 14.8460 14.8460 15.3315 15.3315 16.0734 16.0734 k = 0.2237 0.1253 0.0876 ( 3480 PWs) bands (ev): -20.6668 -20.6668 -19.7304 -19.7304 -19.4998 -19.4998 -19.4984 -19.4984 -19.2078 -19.2078 -19.2076 -19.2076 -5.5049 -5.5049 -3.6137 -3.6137 -3.2940 -3.2940 -3.2852 -3.2852 -1.9364 -1.9364 -1.8422 -1.8422 -1.8088 -1.8088 -1.4597 -1.4597 -1.4444 -1.4444 -0.0789 -0.0789 0.0079 0.0079 0.0134 0.0134 0.0704 0.0704 0.4710 0.4710 0.5000 0.5000 0.6307 0.6307 0.9054 0.9054 0.9295 0.9295 9.9702 9.9702 13.9882 13.9882 14.8058 14.8058 15.3203 15.3203 16.0233 16.0233 k = 0.2105 0.1179 0.0825 ( 3480 PWs) bands (ev): -20.6813 -20.6813 -19.7126 -19.7126 -19.5044 -19.5044 -19.5030 -19.5030 -19.2024 -19.2024 -19.2022 -19.2022 -5.5421 -5.5421 -3.5868 -3.5868 -3.3211 -3.3211 -3.3125 -3.3125 -1.9525 -1.9525 -1.8488 -1.8488 -1.8167 -1.8167 -1.4519 -1.4519 -1.4377 -1.4377 -0.0259 -0.0259 0.0372 0.0372 0.0393 0.0393 0.0638 0.0638 0.4680 0.4680 0.4971 0.4971 0.6379 0.6379 0.9200 0.9200 0.9439 0.9439 9.8929 9.8929 14.0460 14.0460 14.7670 14.7670 15.3122 15.3122 15.9750 15.9750 k = 0.1974 0.1106 0.0773 ( 3498 PWs) bands (ev): -20.6950 -20.6950 -19.6956 -19.6956 -19.5088 -19.5088 -19.5074 -19.5074 -19.1973 -19.1973 -19.1971 -19.1971 -5.5775 -5.5775 -3.5615 -3.5615 -3.3468 -3.3468 -3.3383 -3.3383 -1.9674 -1.9674 -1.8584 -1.8584 -1.8276 -1.8276 -1.4412 -1.4412 -1.4283 -1.4283 0.0230 0.0230 0.0438 0.0438 0.0651 0.0651 0.0799 0.0799 0.4653 0.4653 0.4944 0.4944 0.6446 0.6446 0.9341 0.9341 0.9579 0.9579 9.8189 9.8189 14.0982 14.0982 14.7297 14.7297 15.3077 15.3077 15.9288 15.9288 k = 0.1842 0.1032 0.0722 ( 3497 PWs) bands (ev): -20.7078 -20.7078 -19.6796 -19.6796 -19.5129 -19.5129 -19.5115 -19.5115 -19.1924 -19.1924 -19.1923 -19.1923 -5.6111 -5.6111 -3.5377 -3.5377 -3.3710 -3.3710 -3.3626 -3.3626 -1.9812 -1.9812 -1.8699 -1.8699 -1.8405 -1.8405 -1.4285 -1.4285 -1.4170 -1.4170 0.0318 0.0318 0.0729 0.0729 0.0916 0.0916 0.1087 0.1087 0.4628 0.4628 0.4919 0.4919 0.6509 0.6509 0.9477 0.9477 0.9713 0.9713 9.7485 9.7485 14.1445 14.1445 14.6940 14.6940 15.3069 15.3069 15.8848 15.8848 k = 0.1711 0.0958 0.0670 ( 3503 PWs) bands (ev): -20.7199 -20.7199 -19.6644 -19.6644 -19.5168 -19.5168 -19.5154 -19.5154 -19.1879 -19.1879 -19.1878 -19.1878 -5.6426 -5.6426 -3.5155 -3.5155 -3.3937 -3.3937 -3.3854 -3.3854 -1.9939 -1.9939 -1.8826 -1.8826 -1.8545 -1.8545 -1.4149 -1.4149 -1.4047 -1.4047 0.0231 0.0231 0.1111 0.1111 0.1165 0.1165 0.1428 0.1428 0.4606 0.4606 0.4897 0.4897 0.6566 0.6566 0.9607 0.9607 0.9842 0.9842 9.6818 9.6818 14.1850 14.1850 14.6602 14.6602 15.3099 15.3099 15.8432 15.8432 k = 0.1579 0.0885 0.0619 ( 3491 PWs) bands (ev): -20.7311 -20.7311 -19.6503 -19.6503 -19.5203 -19.5203 -19.5189 -19.5189 -19.1837 -19.1837 -19.1836 -19.1836 -5.6721 -5.6721 -3.4949 -3.4949 -3.4148 -3.4148 -3.4065 -3.4065 -2.0055 -2.0055 -1.8958 -1.8958 -1.8688 -1.8688 -1.4009 -1.4009 -1.3918 -1.3918 0.0143 0.0143 0.1399 0.1399 0.1407 0.1407 0.1820 0.1820 0.4588 0.4588 0.4878 0.4878 0.6620 0.6620 0.9730 0.9730 0.9964 0.9964 9.6191 9.6191 14.2196 14.2196 14.6283 14.6283 15.3164 15.3164 15.8040 15.8040 k = 0.1447 0.0811 0.0567 ( 3485 PWs) bands (ev): -20.7415 -20.7415 -19.6371 -19.6371 -19.5236 -19.5236 -19.5222 -19.5222 -19.1797 -19.1797 -19.1796 -19.1796 -5.6995 -5.6995 -3.4760 -3.4760 -3.4344 -3.4344 -3.4259 -3.4259 -2.0161 -2.0161 -1.9090 -1.9090 -1.8831 -1.8831 -1.3871 -1.3871 -1.3790 -1.3790 0.0059 0.0059 0.1616 0.1616 0.1652 0.1652 0.2222 0.2222 0.4572 0.4572 0.4861 0.4861 0.6669 0.6669 0.9846 0.9846 1.0079 1.0079 9.5605 9.5605 14.2485 14.2485 14.5985 14.5985 15.3262 15.3262 15.7675 15.7675 k = 0.1316 0.0737 0.0516 ( 3491 PWs) bands (ev): -20.7510 -20.7510 -19.6250 -19.6250 -19.5267 -19.5267 -19.5252 -19.5252 -19.1761 -19.1761 -19.1760 -19.1760 -5.7248 -5.7248 -3.4598 -3.4598 -3.4523 -3.4523 -3.4427 -3.4427 -2.0257 -2.0257 -1.9219 -1.9219 -1.8969 -1.8969 -1.3738 -1.3738 -1.3666 -1.3666 -0.0019 -0.0019 0.1816 0.1816 0.1867 0.1867 0.2606 0.2606 0.4560 0.4560 0.4845 0.4845 0.6713 0.6713 0.9953 0.9953 1.0186 1.0186 9.5062 9.5062 14.2723 14.2723 14.5709 14.5709 15.3388 15.3388 15.7336 15.7336 k = 0.1184 0.0663 0.0464 ( 3491 PWs) bands (ev): -20.7596 -20.7596 -19.6139 -19.6139 -19.5295 -19.5295 -19.5280 -19.5280 -19.1728 -19.1728 -19.1727 -19.1727 -5.7478 -5.7478 -3.4686 -3.4686 -3.4622 -3.4622 -3.4407 -3.4407 -2.0343 -2.0343 -1.9342 -1.9342 -1.9099 -1.9099 -1.3613 -1.3613 -1.3548 -1.3548 -0.0091 -0.0091 0.1999 0.1999 0.2061 0.2061 0.2961 0.2961 0.4552 0.4552 0.4832 0.4832 0.6753 0.6753 1.0052 1.0052 1.0285 1.0285 9.4565 9.4565 14.2913 14.2913 14.5457 14.5457 15.3534 15.3534 15.7027 15.7027 k = 0.1053 0.0590 0.0412 ( 3491 PWs) bands (ev): -20.7674 -20.7674 -19.6039 -19.6039 -19.5319 -19.5319 -19.5305 -19.5305 -19.1698 -19.1698 -19.1697 -19.1697 -5.7685 -5.7685 -3.4832 -3.4832 -3.4762 -3.4762 -3.4272 -3.4272 -2.0419 -2.0419 -1.9456 -1.9456 -1.9220 -1.9220 -1.3498 -1.3498 -1.3439 -1.3439 -0.0156 -0.0156 0.2163 0.2163 0.2234 0.2234 0.3283 0.3283 0.4550 0.4550 0.4821 0.4821 0.6788 0.6788 1.0143 1.0143 1.0374 1.0374 9.4115 9.4115 14.3063 14.3063 14.5228 14.5228 15.3693 15.3693 15.6747 15.6747 k = 0.0921 0.0516 0.0361 ( 3476 PWs) bands (ev): -20.7743 -20.7743 -19.5951 -19.5951 -19.5341 -19.5341 -19.5327 -19.5327 -19.1671 -19.1671 -19.1671 -19.1671 -5.7869 -5.7869 -3.4961 -3.4961 -3.4890 -3.4890 -3.4148 -3.4148 -2.0486 -2.0486 -1.9560 -1.9560 -1.9329 -1.9329 -1.3394 -1.3394 -1.3340 -1.3340 -0.0213 -0.0213 0.2309 0.2309 0.2388 0.2388 0.3565 0.3565 0.4556 0.4556 0.4812 0.4812 0.6819 0.6819 1.0223 1.0223 1.0454 1.0454 9.3713 9.3713 14.3177 14.3177 14.5025 14.5025 15.3857 15.3857 15.6498 15.6498 k = 0.0789 0.0442 0.0309 ( 3491 PWs) bands (ev): -20.7802 -20.7802 -19.5873 -19.5873 -19.5360 -19.5360 -19.5346 -19.5346 -19.1648 -19.1648 -19.1648 -19.1648 -5.8029 -5.8029 -3.5074 -3.5074 -3.5002 -3.5002 -3.4040 -3.4040 -2.0544 -2.0544 -1.9652 -1.9652 -1.9425 -1.9425 -1.3303 -1.3303 -1.3253 -1.3253 -0.0263 -0.0263 0.2436 0.2436 0.2521 0.2521 0.3801 0.3801 0.4573 0.4573 0.4805 0.4805 0.6846 0.6846 1.0294 1.0294 1.0525 1.0525 9.3362 9.3362 14.3263 14.3263 14.4847 14.4847 15.4018 15.4018 15.6281 15.6281 k = 0.0658 0.0369 0.0258 ( 3488 PWs) bands (ev): -20.7853 -20.7853 -19.5808 -19.5808 -19.5377 -19.5377 -19.5362 -19.5362 -19.1629 -19.1629 -19.1628 -19.1628 -5.8166 -5.8166 -3.5170 -3.5170 -3.5098 -3.5098 -3.3948 -3.3948 -2.0592 -2.0592 -1.9731 -1.9731 -1.9508 -1.9508 -1.3224 -1.3224 -1.3178 -1.3178 -0.0306 -0.0306 0.2544 0.2544 0.2634 0.2634 0.3986 0.3986 0.4607 0.4607 0.4799 0.4799 0.6868 0.6868 1.0354 1.0354 1.0585 1.0585 9.3062 9.3062 14.3325 14.3325 14.4695 14.4695 15.4168 15.4168 15.6097 15.6097 k = 0.0526 0.0295 0.0206 ( 3494 PWs) bands (ev): -20.7894 -20.7894 -19.5754 -19.5754 -19.5390 -19.5390 -19.5375 -19.5375 -19.1613 -19.1613 -19.1612 -19.1612 -5.8278 -5.8278 -3.5248 -3.5248 -3.5176 -3.5176 -3.3872 -3.3872 -2.0632 -2.0632 -1.9797 -1.9797 -1.9576 -1.9576 -1.3160 -1.3160 -1.3115 -1.3115 -0.0342 -0.0342 0.2633 0.2633 0.2728 0.2728 0.4115 0.4115 0.4658 0.4658 0.4795 0.4795 0.6887 0.6887 1.0404 1.0404 1.0634 1.0634 9.2815 9.2815 14.3369 14.3369 14.4571 14.4571 15.4300 15.4300 15.5945 15.5945 k = 0.0395 0.0221 0.0155 ( 3500 PWs) bands (ev): -20.7927 -20.7927 -19.5712 -19.5712 -19.5400 -19.5400 -19.5385 -19.5385 -19.1600 -19.1600 -19.1600 -19.1600 -5.8365 -5.8365 -3.5309 -3.5309 -3.5238 -3.5238 -3.3813 -3.3813 -2.0663 -2.0663 -1.9849 -1.9849 -1.9630 -1.9630 -1.3109 -1.3109 -1.3067 -1.3067 -0.0369 -0.0369 0.2702 0.2702 0.2801 0.2801 0.4194 0.4194 0.4721 0.4721 0.4792 0.4792 0.6901 0.6901 1.0443 1.0443 1.0673 1.0673 9.2622 9.2622 14.3399 14.3399 14.4473 14.4473 15.4409 15.4409 15.5828 15.5828 k = 0.0263 0.0147 0.0103 ( 3488 PWs) bands (ev): -20.7950 -20.7950 -19.5681 -19.5681 -19.5408 -19.5408 -19.5393 -19.5393 -19.1591 -19.1591 -19.1591 -19.1591 -5.8428 -5.8428 -3.5353 -3.5353 -3.5281 -3.5281 -3.3771 -3.3771 -2.0684 -2.0684 -1.9886 -1.9886 -1.9669 -1.9669 -1.3072 -1.3072 -1.3031 -1.3031 -0.0389 -0.0389 0.2751 0.2751 0.2853 0.2853 0.4237 0.4237 0.4780 0.4780 0.4790 0.4790 0.6911 0.6911 1.0471 1.0471 1.0701 1.0701 9.2484 9.2484 14.3418 14.3418 14.4403 14.4403 15.4489 15.4489 15.5744 15.5744 k = 0.0132 0.0074 0.0052 ( 3488 PWs) bands (ev): -20.7963 -20.7963 -19.5663 -19.5663 -19.5412 -19.5412 -19.5397 -19.5397 -19.1586 -19.1586 -19.1586 -19.1586 -5.8465 -5.8465 -3.5379 -3.5379 -3.5308 -3.5308 -3.3745 -3.3745 -2.0697 -2.0697 -1.9909 -1.9909 -1.9692 -1.9692 -1.3050 -1.3050 -1.3010 -1.3010 -0.0401 -0.0401 0.2781 0.2781 0.2885 0.2885 0.4258 0.4258 0.4789 0.4789 0.4820 0.4820 0.6917 0.6917 1.0488 1.0488 1.0718 1.0718 9.2400 9.2400 14.3429 14.3429 14.4361 14.4361 15.4539 15.4539 15.5694 15.5694 k = 0.0000 0.0000 0.0000 ( 3491 PWs) bands (ev): -20.7968 -20.7968 -19.5657 -19.5657 -19.5413 -19.5413 -19.5399 -19.5399 -19.1584 -19.1584 -19.1584 -19.1584 -5.8478 -5.8478 -3.5388 -3.5388 -3.5316 -3.5316 -3.3737 -3.3737 -2.0702 -2.0702 -1.9917 -1.9917 -1.9700 -1.9700 -1.3043 -1.3043 -1.3003 -1.3003 -0.0405 -0.0405 0.2791 0.2791 0.2895 0.2895 0.4264 0.4264 0.4788 0.4788 0.4834 0.4834 0.6919 0.6919 1.0494 1.0494 1.0723 1.0723 9.2372 9.2372 14.3432 14.3432 14.4347 14.4347 15.4555 15.4555 15.5677 15.5677 k = 0.0000 0.0000 0.0000 ( 3491 PWs) bands (ev): -20.7968 -20.7968 -19.5657 -19.5657 -19.5413 -19.5413 -19.5399 -19.5399 -19.1584 -19.1584 -19.1584 -19.1584 -5.8478 -5.8478 -3.5388 -3.5388 -3.5316 -3.5316 -3.3737 -3.3737 -2.0702 -2.0702 -1.9917 -1.9917 -1.9700 -1.9700 -1.3043 -1.3043 -1.3003 -1.3003 -0.0405 -0.0405 0.2791 0.2791 0.2895 0.2895 0.4264 0.4264 0.4788 0.4788 0.4834 0.4834 0.6919 0.6919 1.0494 1.0494 1.0723 1.0723 9.2372 9.2372 14.3432 14.3432 14.4347 14.4347 15.4555 15.4555 15.5677 15.5677 k = 0.0078-0.0047-0.0130 ( 3491 PWs) bands (ev): -20.7964 -20.7964 -19.5656 -19.5656 -19.5416 -19.5416 -19.5401 -19.5401 -19.1587 -19.1587 -19.1584 -19.1584 -5.8468 -5.8468 -3.5388 -3.5388 -3.5315 -3.5315 -3.3731 -3.3731 -2.0693 -2.0693 -1.9910 -1.9910 -1.9693 -1.9693 -1.3050 -1.3050 -1.3010 -1.3010 -0.0408 -0.0408 0.2789 0.2789 0.2893 0.2893 0.4253 0.4253 0.4771 0.4771 0.4828 0.4828 0.6927 0.6927 1.0491 1.0491 1.0720 1.0720 9.2399 9.2399 14.3445 14.3445 14.4340 14.4340 15.4561 15.4561 15.5670 15.5670 k = 0.0155-0.0095-0.0260 ( 3499 PWs) bands (ev): -20.7951 -20.7951 -19.5652 -19.5652 -19.5427 -19.5427 -19.5403 -19.5403 -19.1595 -19.1595 -19.1586 -19.1586 -5.8437 -5.8437 -3.5393 -3.5393 -3.5307 -3.5307 -3.3715 -3.3715 -2.0668 -2.0668 -1.9893 -1.9893 -1.9672 -1.9672 -1.3075 -1.3075 -1.3028 -1.3028 -0.0417 -0.0417 0.2781 0.2781 0.2888 0.2888 0.4215 0.4215 0.4717 0.4717 0.4816 0.4816 0.6948 0.6948 1.0482 1.0482 1.0711 1.0711 9.2481 9.2481 14.3483 14.3483 14.4320 14.4320 15.4577 15.4577 15.5623 15.5623 k = 0.0233-0.0142-0.0390 ( 3501 PWs) bands (ev): -20.7928 -20.7928 -19.5645 -19.5645 -19.5449 -19.5449 -19.5402 -19.5402 -19.1609 -19.1609 -19.1590 -19.1590 -5.8385 -5.8385 -3.5411 -3.5411 -3.5284 -3.5284 -3.3687 -3.3687 -2.0627 -2.0627 -1.9870 -1.9870 -1.9632 -1.9632 -1.3122 -1.3122 -1.3051 -1.3051 -0.0431 -0.0431 0.2764 0.2764 0.2883 0.2883 0.4142 0.4142 0.4638 0.4638 0.4799 0.4799 0.6980 0.6980 1.0466 1.0466 1.0696 1.0696 9.2616 9.2616 14.3546 14.3546 14.4287 14.4287 15.4597 15.4597 15.5504 15.5504 k = 0.0310-0.0190-0.0520 ( 3497 PWs) bands (ev): -20.7897 -20.7897 -19.5636 -19.5636 -19.5481 -19.5481 -19.5399 -19.5399 -19.1629 -19.1629 -19.1594 -19.1594 -5.8313 -5.8313 -3.5444 -3.5444 -3.5244 -3.5244 -3.3648 -3.3648 -2.0569 -2.0569 -1.9845 -1.9845 -1.9568 -1.9568 -1.3191 -1.3191 -1.3080 -1.3080 -0.0453 -0.0453 0.2734 0.2734 0.2883 0.2883 0.4021 0.4021 0.4553 0.4553 0.4778 0.4778 0.7018 0.7018 1.0444 1.0444 1.0675 1.0675 9.2805 9.2805 14.3633 14.3633 14.4243 14.4243 15.4616 15.4616 15.5320 15.5320 k = 0.0388-0.0237-0.0650 ( 3497 PWs) bands (ev): -20.7858 -20.7858 -19.5626 -19.5626 -19.5522 -19.5522 -19.5394 -19.5394 -19.1654 -19.1654 -19.1600 -19.1600 -5.8220 -5.8220 -3.5490 -3.5490 -3.5190 -3.5190 -3.3596 -3.3596 -2.0495 -2.0495 -1.9822 -1.9822 -1.9477 -1.9477 -1.3282 -1.3282 -1.3114 -1.3114 -0.0481 -0.0481 0.2690 0.2690 0.2886 0.2886 0.3846 0.3846 0.4474 0.4474 0.4752 0.4752 0.7058 0.7058 1.0414 1.0414 1.0649 1.0649 9.3046 9.3046 14.3741 14.3741 14.4191 14.4191 15.4626 15.4626 15.5084 15.5084 k = 0.0465-0.0285-0.0780 ( 3493 PWs) bands (ev): -20.7809 -20.7809 -19.5617 -19.5617 -19.5571 -19.5571 -19.5385 -19.5385 -19.1684 -19.1684 -19.1607 -19.1607 -5.8107 -5.8107 -3.5546 -3.5546 -3.5125 -3.5125 -3.3531 -3.3531 -2.0406 -2.0406 -1.9801 -1.9801 -1.9358 -1.9358 -1.3394 -1.3394 -1.3155 -1.3155 -0.0518 -0.0518 0.2634 0.2634 0.2891 0.2891 0.3622 0.3622 0.4405 0.4405 0.4722 0.4722 0.7097 0.7097 1.0377 1.0377 1.0619 1.0619 9.3339 9.3339 14.3866 14.3866 14.4133 14.4133 15.4599 15.4599 15.4830 15.4830 k = 0.0543-0.0332-0.0910 ( 3493 PWs) bands (ev): -20.7752 -20.7752 -19.5634 -19.5634 -19.5605 -19.5605 -19.5371 -19.5371 -19.1720 -19.1720 -19.1616 -19.1616 -5.7974 -5.7974 -3.5614 -3.5614 -3.5049 -3.5049 -3.3453 -3.3453 -2.0302 -2.0302 -1.9780 -1.9780 -1.9213 -1.9213 -1.3525 -1.3525 -1.3203 -1.3203 -0.0565 -0.0565 0.2564 0.2564 0.2890 0.2890 0.3365 0.3365 0.4340 0.4340 0.4688 0.4688 0.7132 0.7132 1.0331 1.0331 1.0585 1.0585 9.3682 9.3682 14.3988 14.3988 14.4091 14.4091 15.4381 15.4381 15.4719 15.4719 k = 0.0620-0.0380-0.1040 ( 3495 PWs) bands (ev): -20.7686 -20.7686 -19.5700 -19.5700 -19.5602 -19.5602 -19.5351 -19.5351 -19.1761 -19.1761 -19.1626 -19.1626 -5.7821 -5.7821 -3.5692 -3.5692 -3.4963 -3.4963 -3.3360 -3.3360 -2.0185 -2.0185 -1.9759 -1.9759 -1.9044 -1.9044 -1.3677 -1.3677 -1.3256 -1.3256 -0.0625 -0.0625 0.2480 0.2480 0.2852 0.2852 0.3118 0.3118 0.4276 0.4276 0.4652 0.4652 0.7162 0.7162 1.0276 1.0276 1.0548 1.0548 9.4075 9.4075 14.3974 14.3974 14.4196 14.4196 15.4015 15.4015 15.4713 15.4713 k = 0.0698-0.0427-0.1170 ( 3491 PWs) bands (ev): -20.7612 -20.7612 -19.5776 -19.5776 -19.5600 -19.5600 -19.5324 -19.5324 -19.1807 -19.1807 -19.1638 -19.1638 -5.7649 -5.7649 -3.5780 -3.5780 -3.4870 -3.4870 -3.3252 -3.3252 -2.0054 -2.0054 -1.9735 -1.9735 -1.8852 -1.8852 -1.3848 -1.3848 -1.3316 -1.3316 -0.0699 -0.0699 0.2371 0.2371 0.2667 0.2667 0.3009 0.3009 0.4209 0.4209 0.4614 0.4614 0.7185 0.7185 1.0211 1.0211 1.0507 1.0507 9.4516 9.4516 14.3906 14.3906 14.4363 14.4363 15.3596 15.3596 15.4729 15.4729 k = 0.0776-0.0475-0.1300 ( 3489 PWs) bands (ev): -20.7529 -20.7529 -19.5860 -19.5860 -19.5602 -19.5602 -19.5290 -19.5290 -19.1858 -19.1858 -19.1650 -19.1650 -5.7458 -5.7458 -3.5877 -3.5877 -3.4769 -3.4769 -3.3127 -3.3127 -1.9914 -1.9914 -1.9705 -1.9705 -1.8639 -1.8639 -1.4038 -1.4038 -1.3380 -1.3380 -0.0792 -0.0792 0.2188 0.2188 0.2432 0.2432 0.2997 0.2997 0.4137 0.4137 0.4576 0.4576 0.7202 0.7202 1.0137 1.0137 1.0463 1.0463 9.5003 9.5003 14.3833 14.3833 14.4543 14.4543 15.3138 15.3138 15.4761 15.4761 k = 0.0853-0.0522-0.1430 ( 3489 PWs) bands (ev): -20.7438 -20.7438 -19.5952 -19.5952 -19.5607 -19.5607 -19.5249 -19.5249 -19.1915 -19.1915 -19.1665 -19.1665 -5.7247 -5.7247 -3.5984 -3.5984 -3.4663 -3.4663 -3.2986 -3.2986 -1.9780 -1.9780 -1.9655 -1.9655 -1.8405 -1.8405 -1.4247 -1.4247 -1.3448 -1.3448 -0.0912 -0.0912 0.1891 0.1891 0.2278 0.2278 0.3000 0.3000 0.4062 0.4062 0.4540 0.4540 0.7210 0.7210 1.0054 1.0054 1.0416 1.0416 9.5536 9.5536 14.3758 14.3758 14.4727 14.4727 15.2647 15.2647 15.4812 15.4812 k = 0.0931-0.0570-0.1560 ( 3491 PWs) bands (ev): -20.7338 -20.7338 -19.6052 -19.6052 -19.5616 -19.5616 -19.5202 -19.5202 -19.1975 -19.1975 -19.1681 -19.1681 -5.7019 -5.7019 -3.6101 -3.6101 -3.4551 -3.4551 -3.2826 -3.2826 -1.9699 -1.9699 -1.9535 -1.9535 -1.8154 -1.8154 -1.4474 -1.4474 -1.3519 -1.3519 -0.1065 -0.1065 0.1552 0.1552 0.2155 0.2155 0.3003 0.3003 0.3981 0.3981 0.4506 0.4506 0.7211 0.7211 0.9962 0.9962 1.0365 1.0365 9.6112 9.6112 14.3683 14.3683 14.4912 14.4912 15.2126 15.2126 15.4888 15.4888 k = 0.1008-0.0617-0.1690 ( 3487 PWs) bands (ev): -20.7231 -20.7231 -19.6159 -19.6159 -19.5627 -19.5627 -19.5149 -19.5149 -19.2041 -19.2041 -19.1698 -19.1698 -5.6772 -5.6772 -3.6227 -3.6227 -3.4435 -3.4435 -3.2648 -3.2648 -1.9657 -1.9657 -1.9363 -1.9363 -1.7887 -1.7887 -1.4718 -1.4718 -1.3591 -1.3591 -0.1261 -0.1261 0.1215 0.1215 0.2036 0.2036 0.3002 0.3002 0.3895 0.3895 0.4478 0.4478 0.7204 0.7204 0.9862 0.9862 1.0310 1.0310 9.6729 9.6729 14.3607 14.3607 14.5094 14.5094 15.1580 15.1580 15.4993 15.4993 k = 0.1086-0.0665-0.1820 ( 3491 PWs) bands (ev): -20.7116 -20.7116 -19.6273 -19.6273 -19.5641 -19.5641 -19.5091 -19.5091 -19.2111 -19.2111 -19.1717 -19.1717 -5.6507 -5.6507 -3.6361 -3.6361 -3.4316 -3.4316 -3.2452 -3.2452 -1.9620 -1.9620 -1.9170 -1.9170 -1.7608 -1.7608 -1.4979 -1.4979 -1.3661 -1.3661 -0.1512 -0.1512 0.0901 0.0901 0.1916 0.1916 0.2993 0.2993 0.3805 0.3805 0.4457 0.4457 0.7189 0.7189 0.9754 0.9754 1.0250 1.0250 9.7386 9.7386 14.3529 14.3529 14.5268 14.5268 15.1011 15.1011 15.5133 15.5133 k = 0.1163-0.0712-0.1951 ( 3485 PWs) bands (ev): -20.6993 -20.6993 -19.6394 -19.6394 -19.5656 -19.5656 -19.5029 -19.5029 -19.2185 -19.2185 -19.1738 -19.1738 -5.6225 -5.6225 -3.6504 -3.6504 -3.4194 -3.4194 -3.2236 -3.2236 -1.9582 -1.9582 -1.8964 -1.8964 -1.7322 -1.7322 -1.5255 -1.5255 -1.3725 -1.3725 -0.1824 -0.1824 0.0619 0.0619 0.1793 0.1793 0.2972 0.2972 0.3712 0.3712 0.4445 0.4445 0.7166 0.7166 0.9637 0.9637 1.0186 1.0186 9.8081 9.8081 14.3448 14.3448 14.5433 14.5433 15.0422 15.0422 15.5312 15.5312 k = 0.1241-0.0760-0.2081 ( 3485 PWs) bands (ev): -20.6862 -20.6862 -19.6521 -19.6521 -19.5673 -19.5673 -19.4961 -19.4961 -19.2263 -19.2263 -19.1760 -19.1760 -5.5927 -5.5927 -3.6655 -3.6655 -3.4068 -3.4068 -3.2003 -3.2003 -1.9543 -1.9543 -1.8747 -1.8747 -1.7036 -1.7036 -1.5544 -1.5544 -1.3777 -1.3777 -0.2199 -0.2199 0.0375 0.0375 0.1668 0.1668 0.2938 0.2938 0.3616 0.3616 0.4445 0.4445 0.7135 0.7135 0.9513 0.9513 1.0117 1.0117 9.8813 9.8813 14.3363 14.3363 14.5588 14.5588 14.9815 14.9815 15.5534 15.5534 k = 0.1319-0.0807-0.2211 ( 3485 PWs) bands (ev): -20.6723 -20.6723 -19.6654 -19.6654 -19.5691 -19.5691 -19.4890 -19.4890 -19.2345 -19.2345 -19.1784 -19.1784 -5.5612 -5.5612 -3.6814 -3.6814 -3.3939 -3.3939 -3.1751 -3.1751 -1.9502 -1.9502 -1.8521 -1.8521 -1.6761 -1.6761 -1.5843 -1.5843 -1.3808 -1.3808 -0.2632 -0.2632 0.0165 0.0165 0.1542 0.1542 0.2888 0.2888 0.3518 0.3518 0.4457 0.4457 0.7097 0.7097 0.9382 0.9382 1.0043 1.0043 9.9579 9.9579 14.3271 14.3271 14.5731 14.5731 14.9193 14.9193 15.5800 15.5800 k = 0.1396-0.0855-0.2341 ( 3489 PWs) bands (ev): -20.6578 -20.6578 -19.6792 -19.6792 -19.5711 -19.5711 -19.4815 -19.4815 -19.2430 -19.2430 -19.1810 -19.1810 -5.5281 -5.5281 -3.6981 -3.6981 -3.3808 -3.3808 -3.1482 -3.1482 -1.9459 -1.9459 -1.8287 -1.8287 -1.6528 -1.6528 -1.6131 -1.6131 -1.3806 -1.3806 -0.3115 -0.3115 -0.0017 -0.0017 0.1414 0.1414 0.2820 0.2820 0.3419 0.3419 0.4482 0.4482 0.7051 0.7051 0.9244 0.9244 0.9963 0.9963 10.0377 10.0377 14.3170 14.3170 14.5865 14.5865 14.8558 14.8558 15.6111 15.6111 k = 0.1474-0.0902-0.2471 ( 3485 PWs) bands (ev): -20.6425 -20.6425 -19.6936 -19.6936 -19.5732 -19.5732 -19.4736 -19.4736 -19.2519 -19.2519 -19.1838 -19.1838 -5.4935 -5.4935 -3.7155 -3.7155 -3.3673 -3.3673 -3.1196 -3.1196 -1.9415 -1.9415 -1.8049 -1.8049 -1.6565 -1.6565 -1.6193 -1.6193 -1.3755 -1.3755 -0.3637 -0.3637 -0.0180 -0.0180 0.1287 0.1287 0.2735 0.2735 0.3319 0.3319 0.4522 0.4522 0.6998 0.6998 0.9099 0.9099 0.9878 0.9878 10.1207 10.1207 14.3057 14.3057 14.5991 14.5991 14.7911 14.7911 15.6468 15.6468 k = 0.1551-0.0950-0.2601 ( 3487 PWs) bands (ev): -20.6266 -20.6266 -19.7084 -19.7084 -19.5754 -19.5754 -19.4654 -19.4654 -19.2611 -19.2611 -19.1868 -19.1868 -5.4574 -5.4574 -3.7337 -3.7337 -3.3535 -3.3535 -3.0894 -3.0894 -1.9372 -1.9372 -1.7813 -1.7813 -1.6864 -1.6864 -1.6046 -1.6046 -1.3637 -1.3637 -0.4189 -0.4189 -0.0331 -0.0331 0.1160 0.1160 0.2635 0.2635 0.3218 0.3218 0.4574 0.4574 0.6938 0.6938 0.8948 0.8948 0.9787 0.9787 10.2066 10.2066 14.2930 14.2930 14.6112 14.6112 14.7255 14.7255 15.6867 15.6867 k = 0.1629-0.0997-0.2731 ( 3487 PWs) bands (ev): -20.6100 -20.6100 -19.7237 -19.7237 -19.5777 -19.5777 -19.4569 -19.4569 -19.2706 -19.2706 -19.1900 -19.1900 -5.4199 -5.4199 -3.7525 -3.7525 -3.3393 -3.3393 -3.0577 -3.0577 -1.9333 -1.9333 -1.7601 -1.7601 -1.7174 -1.7174 -1.5928 -1.5928 -1.3443 -1.3443 -0.4764 -0.4764 -0.0476 -0.0476 0.1035 0.1035 0.2519 0.2519 0.3115 0.3115 0.4639 0.4639 0.6871 0.6871 0.8790 0.8790 0.9689 0.9689 10.2953 10.2953 14.2787 14.2787 14.6232 14.6232 14.6590 14.6590 15.7306 15.7306 k = 0.1706-0.1045-0.2861 ( 3489 PWs) bands (ev): -20.5927 -20.5927 -19.7394 -19.7394 -19.5801 -19.5801 -19.4481 -19.4481 -19.2803 -19.2803 -19.1933 -19.1933 -5.3810 -5.3810 -3.7720 -3.7720 -3.3249 -3.3249 -3.0246 -3.0246 -1.9304 -1.9304 -1.7611 -1.7611 -1.7276 -1.7276 -1.5849 -1.5849 -1.3174 -1.3174 -0.5356 -0.5356 -0.0619 -0.0619 0.0913 0.0913 0.2391 0.2391 0.3010 0.3010 0.4715 0.4715 0.6797 0.6797 0.8627 0.8627 0.9586 0.9586 10.3865 10.3865 14.2625 14.2625 14.5919 14.5919 14.6354 14.6354 15.7782 15.7782 k = 0.1784-0.1092-0.2991 ( 3489 PWs) bands (ev): -20.5748 -20.5748 -19.7554 -19.7554 -19.5826 -19.5826 -19.4390 -19.4390 -19.2903 -19.2903 -19.1969 -19.1969 -5.3408 -5.3408 -3.7921 -3.7921 -3.3100 -3.3100 -2.9901 -2.9901 -1.9300 -1.9300 -1.7890 -1.7890 -1.7124 -1.7124 -1.5785 -1.5785 -1.2840 -1.2840 -0.5962 -0.5962 -0.0762 -0.0762 0.0793 0.0793 0.2253 0.2253 0.2902 0.2902 0.4802 0.4802 0.6717 0.6717 0.8457 0.8457 0.9476 0.9476 10.4802 10.4802 14.2445 14.2445 14.5244 14.5244 14.6481 14.6481 15.8291 15.8291 k = 0.1861-0.1140-0.3121 ( 3483 PWs) bands (ev): -20.5563 -20.5563 -19.7718 -19.7718 -19.5851 -19.5851 -19.4297 -19.4297 -19.3005 -19.3005 -19.2007 -19.2007 -5.2994 -5.2994 -3.8128 -3.8128 -3.2948 -3.2948 -2.9543 -2.9543 -1.9349 -1.9349 -1.8150 -1.8150 -1.7001 -1.7001 -1.5699 -1.5699 -1.2455 -1.2455 -0.6575 -0.6575 -0.0907 -0.0907 0.0677 0.0677 0.2105 0.2105 0.2792 0.2792 0.4898 0.4898 0.6631 0.6631 0.8282 0.8282 0.9360 0.9360 10.5762 10.5762 14.2246 14.2246 14.4564 14.4564 14.6614 14.6614 15.8827 15.8827 k = 0.1939-0.1187-0.3251 ( 3483 PWs) bands (ev): -20.5373 -20.5373 -19.7884 -19.7884 -19.5877 -19.5877 -19.4201 -19.4201 -19.3109 -19.3109 -19.2047 -19.2047 -5.2567 -5.2567 -3.8341 -3.8341 -3.2792 -3.2792 -2.9173 -2.9173 -1.9489 -1.9489 -1.8327 -1.8327 -1.6954 -1.6954 -1.5558 -1.5558 -1.2032 -1.2032 -0.7195 -0.7195 -0.1056 -0.1056 0.0564 0.0564 0.1949 0.1949 0.2679 0.2679 0.5003 0.5003 0.6538 0.6538 0.8102 0.8102 0.9237 0.9237 10.6744 10.6744 14.2028 14.2028 14.3882 14.3882 14.6755 14.6755 15.9387 15.9387 k = 0.2017-0.1235-0.3381 ( 3487 PWs) bands (ev): -20.5176 -20.5176 -19.8052 -19.8052 -19.5903 -19.5903 -19.4104 -19.4104 -19.3215 -19.3215 -19.2089 -19.2089 -5.2129 -5.2129 -3.8560 -3.8560 -3.2633 -3.2633 -2.8792 -2.8792 -1.9737 -1.9737 -1.8400 -1.8400 -1.6988 -1.6988 -1.5353 -1.5353 -1.1579 -1.1579 -0.7818 -0.7818 -0.1208 -0.1208 0.0454 0.0454 0.1785 0.1785 0.2563 0.2563 0.5115 0.5115 0.6439 0.6439 0.7916 0.7916 0.9108 0.9108 10.7745 10.7745 14.1793 14.1793 14.3199 14.3199 14.6906 14.6906 15.9965 15.9965 k = 0.2094-0.1282-0.3511 ( 3489 PWs) bands (ev): -20.4975 -20.4975 -19.8222 -19.8222 -19.5930 -19.5930 -19.4004 -19.4004 -19.3322 -19.3322 -19.2134 -19.2134 -5.1679 -5.1679 -3.8783 -3.8783 -3.2471 -3.2471 -2.8400 -2.8400 -2.0066 -2.0066 -1.8394 -1.8394 -1.7086 -1.7086 -1.5098 -1.5098 -1.1104 -1.1104 -0.8440 -0.8440 -0.1365 -0.1365 0.0348 0.0348 0.1617 0.1617 0.2445 0.2445 0.5235 0.5235 0.6333 0.6333 0.7727 0.7727 0.8971 0.8971 10.8766 10.8766 14.1542 14.1542 14.2516 14.2516 14.7065 14.7065 16.0558 16.0558 k = 0.2172-0.1330-0.3641 ( 3488 PWs) bands (ev): -20.4768 -20.4768 -19.8394 -19.8394 -19.5958 -19.5958 -19.3904 -19.3904 -19.3430 -19.3430 -19.2181 -19.2181 -5.1220 -5.1220 -3.9012 -3.9012 -3.2305 -3.2305 -2.8000 -2.8000 -2.0440 -2.0440 -1.8340 -1.8340 -1.7228 -1.7228 -1.4808 -1.4808 -1.0611 -1.0611 -0.9061 -0.9061 -0.1525 -0.1525 0.0244 0.0244 0.1442 0.1442 0.2324 0.2324 0.5362 0.5362 0.6221 0.6221 0.7534 0.7534 0.8828 0.8828 10.9803 10.9803 14.1275 14.1275 14.1835 14.1835 14.7233 14.7233 16.1160 16.1160 k = 0.2249-0.1377-0.3771 ( 3480 PWs) bands (ev): -20.4557 -20.4557 -19.8566 -19.8566 -19.5985 -19.5985 -19.3802 -19.3802 -19.3539 -19.3539 -19.2231 -19.2231 -5.0750 -5.0750 -3.9245 -3.9245 -3.2137 -3.2137 -2.7590 -2.7590 -2.0840 -2.0840 -1.8260 -1.8260 -1.7401 -1.7401 -1.4495 -1.4495 -1.0104 -1.0104 -0.9678 -0.9678 -0.1688 -0.1688 0.0143 0.0143 0.1263 0.1263 0.2202 0.2202 0.5494 0.5494 0.6102 0.6102 0.7339 0.7339 0.8678 0.8678 11.0857 11.0857 14.0992 14.0992 14.1160 14.1160 14.7408 14.7408 16.1768 16.1768 k = 0.2327-0.1425-0.3901 ( 3480 PWs) bands (ev): -20.4342 -20.4342 -19.8740 -19.8740 -19.6013 -19.6013 -19.3699 -19.3699 -19.3648 -19.3648 -19.2282 -19.2282 -5.0271 -5.0271 -3.9482 -3.9482 -3.1965 -3.1965 -2.7174 -2.7174 -2.1256 -2.1256 -1.8164 -1.8164 -1.7594 -1.7594 -1.4166 -1.4166 -1.0290 -1.0290 -0.9586 -0.9586 -0.1854 -0.1854 0.0044 0.0044 0.1080 0.1080 0.2078 0.2078 0.5630 0.5630 0.5976 0.5976 0.7144 0.7144 0.8522 0.8522 11.1926 11.1926 14.0470 14.0470 14.0716 14.0716 14.7589 14.7589 16.2378 16.2378 k = 0.2404-0.1472-0.4031 ( 3480 PWs) bands (ev): -20.4122 -20.4122 -19.8913 -19.8913 -19.6041 -19.6041 -19.3758 -19.3758 -19.3596 -19.3596 -19.2337 -19.2337 -4.9783 -4.9783 -3.9724 -3.9724 -3.1791 -3.1791 -2.6750 -2.6750 -2.1680 -2.1680 -1.8067 -1.8067 -1.7791 -1.7791 -1.3825 -1.3825 -1.0894 -1.0894 -0.9061 -0.9061 -0.2022 -0.2022 -0.0054 -0.0054 0.0892 0.0892 0.1952 0.1952 0.5759 0.5759 0.5853 0.5853 0.6949 0.6949 0.8358 0.8358 11.3009 11.3009 13.9800 13.9800 14.0415 14.0415 14.7775 14.7775 16.2985 16.2985 k = 0.2482-0.1520-0.4161 ( 3478 PWs) bands (ev): -20.3898 -20.3898 -19.9086 -19.9086 -19.6069 -19.6069 -19.3868 -19.3868 -19.3493 -19.3493 -19.2393 -19.2393 -4.9287 -4.9287 -3.9968 -3.9968 -3.1616 -3.1616 -2.6321 -2.6321 -2.2110 -2.2110 -1.8096 -1.8096 -1.7865 -1.7865 -1.3476 -1.3476 -1.1488 -1.1488 -0.8530 -0.8530 -0.2191 -0.2191 -0.0151 -0.0151 0.0702 0.0702 0.1826 0.1826 0.5680 0.5680 0.5932 0.5932 0.6756 0.6756 0.8188 0.8188 11.4105 11.4105 13.9133 13.9133 14.0109 14.0109 14.7964 14.7964 16.3586 16.3586 k = 0.2559-0.1567-0.4291 ( 3476 PWs) bands (ev): -20.3671 -20.3671 -19.9258 -19.9258 -19.6097 -19.6097 -19.3978 -19.3978 -19.3390 -19.3390 -19.2452 -19.2452 -4.8783 -4.8783 -4.0216 -4.0216 -3.1438 -3.1438 -2.5889 -2.5889 -2.2542 -2.2542 -1.8310 -1.8310 -1.7757 -1.7757 -1.3121 -1.3121 -1.2072 -1.2072 -0.7995 -0.7995 -0.2361 -0.2361 -0.0247 -0.0247 0.0509 0.0509 0.1700 0.1700 0.5523 0.5523 0.6081 0.6081 0.6569 0.6569 0.8011 0.8011 11.5212 11.5212 13.8472 13.8472 13.9799 13.9799 14.8154 14.8154 16.4177 16.4177 k = 0.2637-0.1615-0.4421 ( 3476 PWs) bands (ev): -20.3441 -20.3441 -19.9429 -19.9429 -19.6125 -19.6125 -19.4087 -19.4087 -19.3288 -19.3288 -19.2512 -19.2512 -4.8273 -4.8273 -4.0467 -4.0467 -3.1259 -3.1259 -2.5453 -2.5453 -2.2974 -2.2974 -1.8553 -1.8553 -1.7619 -1.7619 -1.2767 -1.2767 -1.2638 -1.2638 -0.7458 -0.7458 -0.2531 -0.2531 -0.0343 -0.0343 0.0314 0.0314 0.1573 0.1573 0.5350 0.5350 0.6234 0.6234 0.6391 0.6391 0.7829 0.7829 11.6330 11.6330 13.7817 13.7817 13.9485 13.9485 14.8343 14.8343 16.4755 16.4755 k = 0.2715-0.1662-0.4551 ( 3472 PWs) bands (ev): -20.3208 -20.3208 -19.9599 -19.9599 -19.6152 -19.6152 -19.4195 -19.4195 -19.3189 -19.3189 -19.2574 -19.2574 -4.7755 -4.7755 -4.0721 -4.0721 -3.1079 -3.1079 -2.5017 -2.5017 -2.3404 -2.3404 -1.8808 -1.8808 -1.7471 -1.7471 -1.3204 -1.3204 -1.2396 -1.2396 -0.6922 -0.6922 -0.2701 -0.2701 -0.0439 -0.0439 0.0117 0.0117 0.1448 0.1448 0.5162 0.5162 0.6214 0.6214 0.6397 0.6397 0.7641 0.7641 11.7458 11.7458 13.7171 13.7171 13.9168 13.9168 14.8529 14.8529 16.4698 16.4698 k = 0.2792-0.1710-0.4681 ( 3472 PWs) bands (ev): -20.2972 -20.2972 -19.9767 -19.9767 -19.6180 -19.6180 -19.4303 -19.4303 -19.3095 -19.3095 -19.2633 -19.2633 -4.7231 -4.7231 -4.0976 -4.0976 -3.0899 -3.0899 -2.4582 -2.4582 -2.3831 -2.3831 -1.9068 -1.9068 -1.7315 -1.7315 -1.3746 -1.3746 -1.2031 -1.2031 -0.6389 -0.6389 -0.2869 -0.2869 -0.0536 -0.0536 -0.0080 -0.0080 0.1324 0.1324 0.4959 0.4959 0.6055 0.6055 0.6552 0.6552 0.7450 0.7450 11.8594 11.8594 13.6533 13.6533 13.8852 13.8852 14.8710 14.8710 16.3964 16.3964 k = 0.2870-0.1757-0.4811 ( 3474 PWs) bands (ev): -20.2733 -20.2733 -19.9933 -19.9933 -19.6207 -19.6207 -19.4409 -19.4409 -19.3013 -19.3013 -19.2684 -19.2684 -4.6702 -4.6702 -4.1232 -4.1232 -3.0719 -3.0719 -2.4258 -2.4258 -2.4149 -2.4149 -1.9329 -1.9329 -1.7154 -1.7154 -1.4270 -1.4270 -1.1666 -1.1666 -0.5862 -0.5862 -0.3035 -0.3035 -0.0634 -0.0634 -0.0277 -0.0277 0.1202 0.1202 0.4741 0.4741 0.5904 0.5904 0.6700 0.6700 0.7264 0.7264 11.9738 11.9738 13.5906 13.5906 13.8536 13.8536 14.8886 14.8886 16.3248 16.3248 k = 0.2947-0.1805-0.4941 ( 3466 PWs) bands (ev): -20.2493 -20.2493 -20.0096 -20.0096 -19.6234 -19.6234 -19.4513 -19.4513 -19.2965 -19.2965 -19.2706 -19.2706 -4.6167 -4.6167 -4.1489 -4.1489 -3.0540 -3.0540 -2.4672 -2.4672 -2.3733 -2.3733 -1.9585 -1.9585 -1.6993 -1.6993 -1.4772 -1.4772 -1.1300 -1.1300 -0.5344 -0.5344 -0.3198 -0.3198 -0.0735 -0.0735 -0.0471 -0.0471 0.1084 0.1084 0.4511 0.4511 0.5763 0.5763 0.6796 0.6796 0.7126 0.7126 12.0889 12.0889 13.5290 13.5290 13.8222 13.8222 14.9053 14.9053 16.2552 16.2552 k = 0.3025-0.1852-0.5071 ( 3468 PWs) bands (ev): -20.2251 -20.2251 -20.0256 -20.0256 -19.6261 -19.6261 -19.4616 -19.4616 -19.2976 -19.2976 -19.2673 -19.2673 -4.5628 -4.5628 -4.1746 -4.1746 -3.0362 -3.0362 -2.5082 -2.5082 -2.3335 -2.3335 -1.9829 -1.9829 -1.6840 -1.6840 -1.5243 -1.5243 -1.0935 -1.0935 -0.4840 -0.4840 -0.3358 -0.3358 -0.0840 -0.0840 -0.0658 -0.0658 0.0970 0.0970 0.4269 0.4269 0.5631 0.5631 0.6716 0.6716 0.7160 0.7160 12.2046 12.2046 13.4685 13.4685 13.7912 13.7912 14.9212 14.9212 16.1877 16.1877 k = 0.3102-0.1900-0.5201 ( 3464 PWs) bands (ev): -20.2008 -20.2008 -20.0413 -20.0413 -19.6287 -19.6287 -19.4718 -19.4718 -19.3031 -19.3031 -19.2601 -19.2601 -4.5085 -4.5085 -4.2003 -4.2003 -3.0185 -3.0185 -2.5484 -2.5484 -2.2972 -2.2972 -2.0044 -2.0044 -1.6721 -1.6721 -1.5656 -1.5656 -1.0573 -1.0573 -0.4355 -0.4355 -0.3512 -0.3512 -0.0955 -0.0955 -0.0830 -0.0830 0.0863 0.0863 0.4018 0.4018 0.5506 0.5506 0.6524 0.6524 0.7300 0.7300 12.3207 12.3207 13.4094 13.4094 13.7607 13.7607 14.9360 14.9360 16.1224 16.1224 k = 0.3180-0.1947-0.5331 ( 3460 PWs) bands (ev): -20.1763 -20.1763 -20.0566 -20.0566 -19.6313 -19.6313 -19.4816 -19.4816 -19.3106 -19.3106 -19.2515 -19.2515 -4.4538 -4.4538 -4.2258 -4.2258 -3.0011 -3.0011 -2.5877 -2.5877 -2.2673 -2.2673 -2.0202 -2.0202 -1.6726 -1.6726 -1.5921 -1.5921 -1.0214 -1.0214 -0.3910 -0.3910 -0.3651 -0.3651 -0.1085 -0.1085 -0.0976 -0.0976 0.0764 0.0764 0.3760 0.3760 0.5389 0.5389 0.6305 0.6305 0.7462 0.7462 12.4372 12.4372 13.3516 13.3516 13.7308 13.7308 14.9497 14.9497 16.0593 16.0593 k = 0.3257-0.1995-0.5461 ( 3448 PWs) bands (ev): -20.1518 -20.1518 -20.0715 -20.0715 -19.6337 -19.6337 -19.4913 -19.4913 -19.3190 -19.3190 -19.2425 -19.2425 -4.3987 -4.3987 -4.2512 -4.2512 -2.9841 -2.9841 -2.6260 -2.6260 -2.2481 -2.2481 -2.0261 -2.0261 -1.6957 -1.6957 -1.5935 -1.5935 -0.9858 -0.9858 -0.3831 -0.3831 -0.3461 -0.3461 -0.1218 -0.1218 -0.1098 -0.1098 0.0677 0.0677 0.3496 0.3496 0.5278 0.5278 0.6074 0.6074 0.7630 0.7630 12.5540 12.5540 13.2954 13.2954 13.7017 13.7017 14.9622 14.9622 15.9986 15.9986 k = 0.3335-0.2042-0.5592 ( 3450 PWs) bands (ev): -20.1273 -20.1273 -20.0860 -20.0860 -19.6362 -19.6362 -19.5006 -19.5006 -19.3280 -19.3280 -19.2335 -19.2335 -4.3435 -4.3435 -4.2763 -4.2763 -2.9674 -2.9674 -2.6632 -2.6632 -2.2436 -2.2436 -2.0182 -2.0182 -1.7310 -1.7310 -1.5804 -1.5804 -0.9508 -0.9508 -0.3967 -0.3967 -0.3121 -0.3121 -0.1322 -0.1322 -0.1206 -0.1206 0.0607 0.0607 0.3230 0.3230 0.5173 0.5173 0.5836 0.5836 0.7800 0.7800 12.6708 12.6708 13.2407 13.2407 13.6735 13.6735 14.9734 14.9734 15.9403 15.9403 k = 0.3413-0.2090-0.5722 ( 3448 PWs) bands (ev): -20.1027 -20.1027 -20.1001 -20.1001 -19.6386 -19.6386 -19.5098 -19.5098 -19.3376 -19.3376 -19.2245 -19.2245 -4.3011 -4.3011 -4.2880 -4.2880 -2.9512 -2.9512 -2.6992 -2.6992 -2.2534 -2.2534 -1.9968 -1.9968 -1.7688 -1.7688 -1.5623 -1.5623 -0.9164 -0.9164 -0.4102 -0.4102 -0.2882 -0.2882 -0.1384 -0.1384 -0.1284 -0.1284 0.0562 0.0562 0.2962 0.2962 0.5072 0.5072 0.5592 0.5592 0.7970 0.7970 12.7875 12.7875 13.1877 13.1877 13.6466 13.6466 14.9833 14.9833 15.8844 15.8844 k = 0.3490-0.2137-0.5852 ( 3450 PWs) bands (ev): -20.1136 -20.1136 -20.0782 -20.0782 -19.6409 -19.6409 -19.5186 -19.5186 -19.3476 -19.3476 -19.2158 -19.2158 -4.3254 -4.3254 -4.2323 -4.2323 -2.9357 -2.9357 -2.7340 -2.7340 -2.2735 -2.2735 -1.9661 -1.9661 -1.8061 -1.8061 -1.5421 -1.5421 -0.8828 -0.8828 -0.4233 -0.4233 -0.2782 -0.2782 -0.1471 -0.1471 -0.1245 -0.1245 0.0553 0.0553 0.2694 0.2694 0.4975 0.4975 0.5343 0.5343 0.8138 0.8138 12.9038 12.9038 13.1365 13.1365 13.6211 13.6211 14.9920 14.9920 15.8310 15.8310 k = 0.3568-0.2185-0.5982 ( 3454 PWs) bands (ev): -20.1267 -20.1267 -20.0537 -20.0537 -19.6431 -19.6431 -19.5270 -19.5270 -19.3581 -19.3581 -19.2072 -19.2072 -4.3492 -4.3492 -4.1765 -4.1765 -2.9208 -2.9208 -2.7674 -2.7674 -2.3000 -2.3000 -1.9306 -1.9306 -1.8417 -1.8417 -1.5209 -1.5209 -0.8501 -0.8501 -0.4357 -0.4357 -0.2807 -0.2807 -0.1584 -0.1584 -0.1118 -0.1118 0.0596 0.0596 0.2429 0.2429 0.4877 0.4877 0.5095 0.5095 0.8304 0.8304 13.0191 13.0191 13.0871 13.0871 13.5976 13.5976 14.9994 14.9994 15.7802 15.7802 k = 0.3645-0.2232-0.6112 ( 3458 PWs) bands (ev): -20.1393 -20.1393 -20.0293 -20.0293 -19.6452 -19.6452 -19.5352 -19.5352 -19.3691 -19.3691 -19.1990 -19.1990 -4.3724 -4.3724 -4.1207 -4.1207 -2.9068 -2.9068 -2.7994 -2.7994 -2.3302 -2.3302 -1.8981 -1.8981 -1.8697 -1.8697 -1.4990 -1.4990 -0.8184 -0.8184 -0.4474 -0.4474 -0.2910 -0.2910 -0.1707 -0.1707 -0.0983 -0.0983 0.0708 0.0708 0.2168 0.2168 0.4751 0.4751 0.4876 0.4876 0.8466 0.8466 13.0398 13.0398 13.1323 13.1323 13.5773 13.5773 15.0057 15.0057 15.7320 15.7320 k = 0.3723-0.2280-0.6242 ( 3460 PWs) bands (ev): -20.1512 -20.1512 -20.0050 -20.0050 -19.6473 -19.6473 -19.5430 -19.5430 -19.3804 -19.3804 -19.1910 -19.1910 -4.3949 -4.3949 -4.0648 -4.0648 -2.8939 -2.8939 -2.8299 -2.8299 -2.3626 -2.3626 -1.9142 -1.9142 -1.8459 -1.8459 -1.4767 -1.4767 -0.7881 -0.7881 -0.4584 -0.4584 -0.3052 -0.3052 -0.1835 -0.1835 -0.0887 -0.0887 0.0893 0.0893 0.1913 0.1913 0.4530 0.4530 0.4753 0.4753 0.8624 0.8624 12.9944 12.9944 13.2407 13.2407 13.5629 13.5629 15.0108 15.0108 15.6864 15.6864 k = 0.6277 0.0522-0.4283 ( 3460 PWs) bands (ev): -20.1512 -20.1512 -20.0050 -20.0050 -19.6473 -19.6473 -19.5430 -19.5430 -19.3804 -19.3804 -19.1910 -19.1910 -4.3949 -4.3949 -4.0648 -4.0648 -2.8939 -2.8939 -2.8299 -2.8299 -2.3626 -2.3626 -1.9142 -1.9142 -1.8459 -1.8459 -1.4767 -1.4767 -0.7881 -0.7881 -0.4584 -0.4584 -0.3052 -0.3052 -0.1835 -0.1835 -0.0887 -0.0887 0.0893 0.0893 0.1913 0.1913 0.4530 0.4530 0.4753 0.4753 0.8624 0.8624 12.9944 12.9944 13.2407 13.2407 13.5629 13.5629 15.0108 15.0108 15.6864 15.6864 k = 0.6202 0.0656-0.4283 ( 3458 PWs) bands (ev): -20.1622 -20.1622 -19.9816 -19.9816 -19.6491 -19.6491 -19.5502 -19.5502 -19.3919 -19.3919 -19.1837 -19.1837 -4.4160 -4.4160 -4.0106 -4.0106 -2.8826 -2.8826 -2.8579 -2.8579 -2.3954 -2.3954 -1.9431 -1.9431 -1.8072 -1.8072 -1.4548 -1.4548 -0.7602 -0.7602 -0.4683 -0.4683 -0.3205 -0.3205 -0.1966 -0.1966 -0.0837 -0.0837 0.1128 0.1128 0.1676 0.1676 0.4279 0.4279 0.4672 0.4672 0.8773 0.8773 12.9526 12.9526 13.3337 13.3337 13.5619 13.5619 15.0147 15.0147 15.6447 15.6447 k = 0.6127 0.0790-0.4283 ( 3456 PWs) bands (ev): -20.1727 -20.1727 -19.9584 -19.9584 -19.6509 -19.6509 -19.5570 -19.5570 -19.4037 -19.4037 -19.1766 -19.1766 -4.4363 -4.4363 -3.9566 -3.9566 -2.8855 -2.8855 -2.8717 -2.8717 -2.4289 -2.4289 -1.9712 -1.9712 -1.7675 -1.7675 -1.4329 -1.4329 -0.7342 -0.7342 -0.4773 -0.4773 -0.3361 -0.3361 -0.2103 -0.2103 -0.0821 -0.0821 0.1373 0.1373 0.1472 0.1472 0.4020 0.4020 0.4601 0.4601 0.8916 0.8916 12.9128 12.9128 13.3964 13.3964 13.5921 13.5921 15.0178 15.0178 15.6056 15.6056 k = 0.6052 0.0924-0.4283 ( 3458 PWs) bands (ev): -20.1826 -20.1826 -19.9354 -19.9354 -19.6526 -19.6526 -19.5635 -19.5635 -19.4159 -19.4159 -19.1699 -19.1699 -4.4557 -4.4557 -3.9026 -3.9026 -2.9102 -2.9102 -2.8638 -2.8638 -2.4625 -2.4625 -1.9976 -1.9976 -1.7279 -1.7279 -1.4110 -1.4110 -0.7104 -0.7104 -0.4854 -0.4854 -0.3511 -0.3511 -0.2246 -0.2246 -0.0825 -0.0825 0.1218 0.1218 0.1696 0.1696 0.3758 0.3758 0.4536 0.4536 0.9054 0.9054 12.8752 12.8752 13.4173 13.4173 13.6651 13.6651 15.0201 15.0201 15.5689 15.5689 k = 0.5977 0.1058-0.4283 ( 3452 PWs) bands (ev): -20.1919 -20.1919 -19.9126 -19.9126 -19.6542 -19.6542 -19.5695 -19.5695 -19.4285 -19.4285 -19.1636 -19.1636 -4.4741 -4.4741 -3.8488 -3.8488 -2.9338 -2.9338 -2.8577 -2.8577 -2.4957 -2.4957 -2.0222 -2.0222 -1.6889 -1.6889 -1.3894 -1.3894 -0.6895 -0.6895 -0.4925 -0.4925 -0.3648 -0.3648 -0.2396 -0.2396 -0.0838 -0.0838 0.1014 0.1014 0.1986 0.1986 0.3495 0.3495 0.4477 0.4477 0.9185 0.9185 12.8398 12.8398 13.4152 13.4152 13.7620 13.7620 15.0217 15.0217 15.5348 15.5348 k = 0.5902 0.1192-0.4283 ( 3452 PWs) bands (ev): -20.2005 -20.2005 -19.8900 -19.8900 -19.6557 -19.6557 -19.5752 -19.5752 -19.4415 -19.4415 -19.1577 -19.1577 -4.4915 -4.4915 -3.7951 -3.7951 -2.9558 -2.9558 -2.8543 -2.8543 -2.5278 -2.5278 -2.0451 -2.0451 -1.6507 -1.6507 -1.3681 -1.3681 -0.6720 -0.6720 -0.4986 -0.4986 -0.3763 -0.3763 -0.2553 -0.2553 -0.0853 -0.0853 0.0823 0.0823 0.2267 0.2267 0.3235 0.3235 0.4423 0.4423 0.9308 0.9308 12.8067 12.8067 13.4054 13.4054 13.8674 13.8674 15.0227 15.0227 15.5033 15.5033 k = 0.5826 0.1326-0.4283 ( 3456 PWs) bands (ev): -20.2085 -20.2085 -19.8677 -19.8677 -19.6571 -19.6571 -19.5804 -19.5804 -19.4549 -19.4549 -19.1522 -19.1522 -4.5078 -4.5078 -3.7418 -3.7418 -2.9761 -2.9761 -2.8545 -2.8545 -2.5579 -2.5579 -2.0661 -2.0661 -1.6137 -1.6137 -1.3473 -1.3473 -0.6587 -0.6587 -0.5035 -0.5035 -0.3849 -0.3849 -0.2715 -0.2715 -0.0865 -0.0865 0.0646 0.0646 0.2520 0.2520 0.2991 0.2991 0.4373 0.4373 0.9424 0.9424 12.7760 12.7760 13.3933 13.3933 13.9759 13.9759 15.0233 15.0233 15.4743 15.4743 k = 0.5751 0.1460-0.4283 ( 3460 PWs) bands (ev): -20.2159 -20.2159 -19.8458 -19.8458 -19.6584 -19.6584 -19.5852 -19.5852 -19.4687 -19.4687 -19.1472 -19.1472 -4.5229 -4.5229 -3.6886 -3.6886 -2.9949 -2.9949 -2.8592 -2.8592 -2.5852 -2.5852 -2.0853 -2.0853 -1.5780 -1.5780 -1.3273 -1.3273 -0.6501 -0.6501 -0.5073 -0.5073 -0.3900 -0.3900 -0.2881 -0.2881 -0.0870 -0.0870 0.0485 0.0485 0.2595 0.2595 0.2911 0.2911 0.4329 0.4329 0.9531 0.9531 12.7478 12.7478 13.3807 13.3807 14.0855 14.0855 15.0236 15.0236 15.4478 15.4478 k = 0.5676 0.1594-0.4283 ( 3462 PWs) bands (ev): -20.2226 -20.2226 -19.8241 -19.8241 -19.6595 -19.6595 -19.5896 -19.5896 -19.4829 -19.4829 -19.1426 -19.1426 -4.5368 -4.5368 -3.6358 -3.6358 -3.0119 -3.0119 -2.8694 -2.8694 -2.6084 -2.6084 -2.1026 -2.1026 -1.5440 -1.5440 -1.3081 -1.3081 -0.6463 -0.6463 -0.5101 -0.5101 -0.3915 -0.3915 -0.3051 -0.3051 -0.0863 -0.0863 0.0340 0.0340 0.2382 0.2382 0.3099 0.3099 0.4291 0.4291 0.9629 0.9629 12.7220 12.7220 13.3686 13.3686 14.1952 14.1952 15.0238 15.0238 15.4239 15.4239 k = 0.5601 0.1728-0.4283 ( 3462 PWs) bands (ev): -20.2286 -20.2286 -19.8029 -19.8029 -19.6606 -19.6606 -19.5936 -19.5936 -19.4974 -19.4974 -19.1384 -19.1384 -4.5494 -4.5494 -3.5835 -3.5835 -3.0272 -3.0272 -2.8859 -2.8859 -2.6270 -2.6270 -2.1181 -2.1181 -1.5120 -1.5120 -1.2901 -1.2901 -0.6469 -0.6469 -0.5117 -0.5117 -0.3896 -0.3896 -0.3220 -0.3220 -0.0844 -0.0844 0.0212 0.0212 0.2129 0.2129 0.3309 0.3309 0.4258 0.4258 0.9719 0.9719 12.6988 12.6988 13.3573 13.3573 14.3044 14.3044 15.0240 15.0240 15.4026 15.4026 k = 0.5526 0.1863-0.4283 ( 3462 PWs) bands (ev): -20.2340 -20.2340 -19.7821 -19.7821 -19.6615 -19.6615 -19.5971 -19.5971 -19.5122 -19.5122 -19.1347 -19.1347 -4.5607 -4.5607 -3.5315 -3.5315 -3.0408 -3.0408 -2.9087 -2.9087 -2.6407 -2.6407 -2.1318 -2.1318 -1.4822 -1.4822 -1.2734 -1.2734 -0.6510 -0.6510 -0.5123 -0.5123 -0.3855 -0.3855 -0.3384 -0.3384 -0.0808 -0.0808 0.0100 0.0100 0.1873 0.1873 0.3499 0.3499 0.4233 0.4233 0.9798 0.9798 12.6783 12.6783 13.3470 13.3470 14.4125 14.4125 15.0244 15.0244 15.3837 15.3837 k = 0.5451 0.1997-0.4283 ( 3458 PWs) bands (ev): -20.2386 -20.2386 -19.7618 -19.7618 -19.6623 -19.6623 -19.6001 -19.6001 -19.5272 -19.5272 -19.1315 -19.1315 -4.5705 -4.5705 -3.4801 -3.4801 -3.0526 -3.0526 -2.9372 -2.9372 -2.6502 -2.6502 -2.1436 -2.1436 -1.4552 -1.4552 -1.2582 -1.2582 -0.6574 -0.6574 -0.5118 -0.5118 -0.3813 -0.3813 -0.3529 -0.3529 -0.0754 -0.0754 0.0004 0.0004 0.1620 0.1620 0.3664 0.3664 0.4216 0.4216 0.9868 0.9868 12.6603 12.6603 13.3379 13.3379 14.5189 14.5189 15.0255 15.0255 15.3674 15.3674 k = 0.5376 0.2131-0.4283 ( 3460 PWs) bands (ev): -20.2426 -20.2426 -19.7422 -19.7422 -19.6630 -19.6630 -19.6027 -19.6027 -19.5424 -19.5424 -19.1287 -19.1287 -4.5790 -4.5790 -3.4292 -3.4292 -3.0627 -3.0627 -2.9704 -2.9704 -2.6563 -2.6563 -2.1535 -2.1535 -1.4312 -1.4312 -1.2449 -1.2449 -0.6651 -0.6651 -0.5103 -0.5103 -0.3828 -0.3828 -0.3604 -0.3604 -0.0682 -0.0682 -0.0076 -0.0076 0.1373 0.1373 0.3796 0.3796 0.4211 0.4211 0.9927 0.9927 12.6451 12.6451 13.3302 13.3302 14.6224 14.6224 15.0279 15.0279 15.3537 15.3537 k = 0.5301 0.2265-0.4283 ( 3460 PWs) bands (ev): -20.2458 -20.2458 -19.7234 -19.7234 -19.6636 -19.6636 -19.6049 -19.6049 -19.5576 -19.5576 -19.1265 -19.1265 -4.5859 -4.5859 -3.3791 -3.3791 -3.0710 -3.0710 -3.0073 -3.0073 -2.6601 -2.6601 -2.1617 -2.1617 -1.4107 -1.4107 -1.2337 -1.2337 -0.6729 -0.6729 -0.5077 -0.5077 -0.3930 -0.3930 -0.3584 -0.3584 -0.0592 -0.0592 -0.0140 -0.0140 0.1138 0.1138 0.3891 0.3891 0.4222 0.4222 0.9976 0.9976 12.6326 12.6326 13.3237 13.3237 14.7209 14.7209 15.0329 15.0329 15.3424 15.3424 k = 0.5225 0.2399-0.4283 ( 3460 PWs) bands (ev): -20.2483 -20.2483 -19.7058 -19.7058 -19.6640 -19.6640 -19.6065 -19.6065 -19.5723 -19.5723 -19.1247 -19.1247 -4.5913 -4.5913 -3.3299 -3.3299 -3.0778 -3.0778 -3.0465 -3.0465 -2.6622 -2.6622 -2.1680 -2.1680 -1.3942 -1.3942 -1.2247 -1.2247 -0.6800 -0.6800 -0.5045 -0.5045 -0.4050 -0.4050 -0.3539 -0.3539 -0.0487 -0.0487 -0.0190 -0.0190 0.0919 0.0919 0.3948 0.3948 0.4248 0.4248 1.0014 1.0014 12.6228 12.6228 13.3187 13.3187 14.8099 14.8099 15.0435 15.0435 15.3337 15.3337 k = 0.5150 0.2533-0.4283 ( 3460 PWs) bands (ev): -20.2502 -20.2502 -19.6902 -19.6902 -19.6644 -19.6644 -19.6077 -19.6077 -19.5858 -19.5858 -19.1234 -19.1234 -4.5952 -4.5952 -3.2822 -3.2822 -3.0915 -3.0915 -3.0788 -3.0788 -2.6634 -2.6634 -2.1726 -2.1726 -1.3821 -1.3821 -1.2181 -1.2181 -0.6856 -0.6856 -0.5010 -0.5010 -0.4152 -0.4152 -0.3500 -0.3500 -0.0378 -0.0378 -0.0225 -0.0225 0.0726 0.0726 0.3976 0.3976 0.4280 0.4280 1.0042 1.0042 12.6158 12.6158 13.3151 13.3151 14.8801 14.8801 15.0657 15.0657 15.3275 15.3275 k = 0.5075 0.2667-0.4283 ( 3462 PWs) bands (ev): -20.2512 -20.2512 -19.6784 -19.6784 -19.6646 -19.6646 -19.6085 -19.6085 -19.5963 -19.5963 -19.1227 -19.1227 -4.5975 -4.5975 -3.2374 -3.2374 -3.1304 -3.1304 -3.0836 -3.0836 -2.6640 -2.6640 -2.1753 -2.1753 -1.3747 -1.3747 -1.2141 -1.2141 -0.6892 -0.6892 -0.4983 -0.4983 -0.4223 -0.4223 -0.3475 -0.3475 -0.0286 -0.0286 -0.0244 -0.0244 0.0582 0.0582 0.3988 0.3988 0.4304 0.4304 1.0058 1.0058 12.6116 12.6116 13.3129 13.3129 14.9206 14.9206 15.1007 15.1007 15.3239 15.3239 k = 0.5000 0.2801-0.4283 ( 3478 PWs) bands (ev): -20.2516 -20.2516 -19.6737 -19.6737 -19.6647 -19.6647 -19.6087 -19.6087 -19.6006 -19.6006 -19.1224 -19.1224 -4.5984 -4.5984 -3.2100 -3.2100 -3.1565 -3.1565 -3.0847 -3.0847 -2.6642 -2.6642 -2.1762 -2.1762 -1.3722 -1.3722 -1.2128 -1.2128 -0.6905 -0.6905 -0.4972 -0.4972 -0.4249 -0.4249 -0.3466 -0.3466 -0.0261 -0.0261 -0.0235 -0.0235 0.0525 0.0525 0.3991 0.3991 0.4313 0.4313 1.0063 1.0063 12.6102 12.6102 13.3122 13.3122 14.9325 14.9325 15.1219 15.1219 15.3229 15.3229 k = 0.5000 0.2801-0.4283 ( 3478 PWs) bands (ev): -20.2516 -20.2516 -19.6737 -19.6737 -19.6647 -19.6647 -19.6087 -19.6087 -19.6006 -19.6006 -19.1224 -19.1224 -4.5984 -4.5984 -3.2100 -3.2100 -3.1565 -3.1565 -3.0847 -3.0847 -2.6642 -2.6642 -2.1762 -2.1762 -1.3722 -1.3722 -1.2128 -1.2128 -0.6905 -0.6905 -0.4972 -0.4972 -0.4249 -0.4249 -0.3466 -0.3466 -0.0261 -0.0261 -0.0235 -0.0235 0.0525 0.0525 0.3991 0.3991 0.4313 0.4313 1.0063 1.0063 12.6102 12.6102 13.3122 13.3122 14.9325 14.9325 15.1219 15.1219 15.3229 15.3229 k = 0.5080 0.2846-0.4160 ( 3468 PWs) bands (ev): -20.2513 -20.2513 -19.6793 -19.6793 -19.6646 -19.6646 -19.6037 -19.6037 -19.6002 -19.6002 -19.1227 -19.1227 -4.5975 -4.5975 -3.2265 -3.2265 -3.1553 -3.1553 -3.0691 -3.0691 -2.6647 -2.6647 -2.1752 -2.1752 -1.3741 -1.3741 -1.2137 -1.2137 -0.6905 -0.6905 -0.4966 -0.4966 -0.4256 -0.4256 -0.3453 -0.3453 -0.0437 -0.0437 -0.0045 -0.0045 0.0531 0.0531 0.3981 0.3981 0.4309 0.4309 1.0058 1.0058 12.6119 12.6119 13.3131 13.3131 14.9128 14.9128 15.1234 15.1234 15.2799 15.2799 k = 0.5160 0.2891-0.4038 ( 3466 PWs) bands (ev): -20.2502 -20.2502 -19.6926 -19.6926 -19.6644 -19.6644 -19.5997 -19.5997 -19.5914 -19.5914 -19.1234 -19.1234 -4.5951 -4.5951 -3.2627 -3.2627 -3.1522 -3.1522 -3.0347 -3.0347 -2.6663 -2.6663 -2.1723 -2.1723 -1.3800 -1.3800 -1.2165 -1.2165 -0.6906 -0.6906 -0.4949 -0.4949 -0.4279 -0.4279 -0.3414 -0.3414 -0.0608 -0.0608 0.0167 0.0167 0.0550 0.0550 0.3947 0.3947 0.4301 0.4301 1.0041 1.0041 12.6169 12.6169 13.3161 13.3161 14.8572 14.8572 15.1277 15.1277 15.2399 15.2399 k = 0.5239 0.2935-0.3915 ( 3464 PWs) bands (ev): -20.2483 -20.2483 -19.7096 -19.7096 -19.6640 -19.6640 -19.5985 -19.5985 -19.5765 -19.5765 -19.1247 -19.1247 -4.5910 -4.5910 -3.3062 -3.3062 -3.1474 -3.1474 -2.9943 -2.9943 -2.6689 -2.6689 -2.1675 -2.1675 -1.3895 -1.3895 -1.2212 -1.2212 -0.6909 -0.6909 -0.4921 -0.4921 -0.4316 -0.4316 -0.3351 -0.3351 -0.0759 -0.0759 0.0377 0.0377 0.0590 0.0590 0.3883 0.3883 0.4295 0.4295 1.0014 1.0014 12.6253 12.6253 13.3210 13.3210 14.7757 14.7757 15.1349 15.1349 15.2170 15.2170 k = 0.5319 0.2980-0.3793 ( 3466 PWs) bands (ev): -20.2458 -20.2458 -19.7285 -19.7285 -19.6635 -19.6635 -19.5968 -19.5968 -19.5606 -19.5606 -19.1265 -19.1265 -4.5853 -4.5853 -3.3527 -3.3527 -3.1407 -3.1407 -2.9520 -2.9520 -2.6725 -2.6725 -2.1607 -2.1607 -1.4027 -1.4027 -1.2276 -1.2276 -0.6916 -0.6916 -0.4883 -0.4883 -0.4365 -0.4365 -0.3264 -0.3264 -0.0889 -0.0889 0.0536 0.0536 0.0700 0.0700 0.3787 0.3787 0.4295 0.4295 0.9975 0.9975 12.6371 12.6371 13.3279 13.3279 14.6788 14.6788 15.1448 15.1448 15.2050 15.2050 k = 0.5399 0.3025-0.3670 ( 3459 PWs) bands (ev): -20.2425 -20.2425 -19.7484 -19.7484 -19.6629 -19.6629 -19.5947 -19.5947 -19.5444 -19.5444 -19.1287 -19.1287 -4.5781 -4.5781 -3.4009 -3.4009 -3.1322 -3.1322 -2.9092 -2.9092 -2.6771 -2.6771 -2.1519 -2.1519 -1.4192 -1.4192 -1.2359 -1.2359 -0.6930 -0.6930 -0.4837 -0.4837 -0.4422 -0.4422 -0.3156 -0.3156 -0.0994 -0.0994 0.0612 0.0612 0.0908 0.0908 0.3656 0.3656 0.4303 0.4303 0.9926 0.9926 12.6520 12.6520 13.3367 13.3367 14.5733 14.5733 15.1575 15.1575 15.1990 15.1990 k = 0.5479 0.3070-0.3548 ( 3457 PWs) bands (ev): -20.2385 -20.2385 -19.7690 -19.7690 -19.6621 -19.6621 -19.5921 -19.5921 -19.5283 -19.5283 -19.1314 -19.1314 -4.5693 -4.5693 -3.4502 -3.4502 -3.1218 -3.1218 -2.8664 -2.8664 -2.6827 -2.6827 -2.1412 -2.1412 -1.4388 -1.4388 -1.2458 -1.2458 -0.6954 -0.6954 -0.4789 -0.4789 -0.4476 -0.4476 -0.3031 -0.3031 -0.1075 -0.1075 0.0673 0.0673 0.1143 0.1143 0.3492 0.3492 0.4319 0.4319 0.9866 0.9866 12.6702 12.6702 13.3474 13.3474 14.4629 14.4629 15.1729 15.1729 15.1965 15.1965 k = 0.5559 0.3114-0.3425 ( 3459 PWs) bands (ev): -20.2339 -20.2339 -19.7902 -19.7902 -19.6612 -19.6612 -19.5891 -19.5891 -19.5124 -19.5124 -19.1347 -19.1347 -4.5590 -4.5590 -3.5004 -3.5004 -3.1097 -3.1097 -2.8240 -2.8240 -2.6892 -2.6892 -2.1286 -2.1286 -1.4613 -1.4613 -1.2573 -1.2573 -0.6992 -0.6992 -0.4754 -0.4754 -0.4506 -0.4506 -0.2891 -0.2891 -0.1132 -0.1132 0.0739 0.0739 0.1385 0.1385 0.3298 0.3298 0.4342 0.4342 0.9796 0.9796 12.6916 12.6916 13.3599 13.3599 14.3495 14.3495 15.1896 15.1896 15.1973 15.1973 k = 0.5639 0.3159-0.3303 ( 3459 PWs) bands (ev): -20.2285 -20.2285 -19.8119 -19.8119 -19.6602 -19.6602 -19.5856 -19.5856 -19.4968 -19.4968 -19.1384 -19.1384 -4.5472 -4.5472 -3.5512 -3.5512 -3.0958 -3.0958 -2.7821 -2.7821 -2.6965 -2.6965 -2.1140 -2.1140 -1.4864 -1.4864 -1.2703 -1.2703 -0.7051 -0.7051 -0.4754 -0.4754 -0.4486 -0.4486 -0.2741 -0.2741 -0.1166 -0.1166 0.0812 0.0812 0.1630 0.1630 0.3076 0.3076 0.4371 0.4371 0.9717 0.9717 12.7160 12.7160 13.3743 13.3743 14.2343 14.2343 15.1950 15.1950 15.2135 15.2135 k = 0.5718 0.3204-0.3181 ( 3461 PWs) bands (ev): -20.2224 -20.2224 -19.8340 -19.8340 -19.6590 -19.6590 -19.5816 -19.5816 -19.4816 -19.4816 -19.1425 -19.1425 -4.5340 -4.5340 -3.6026 -3.6026 -3.0803 -3.0803 -2.7408 -2.7408 -2.7045 -2.7045 -2.0975 -2.0975 -1.5139 -1.5139 -1.2847 -1.2847 -0.7134 -0.7134 -0.4778 -0.4778 -0.4417 -0.4417 -0.2582 -0.2582 -0.1179 -0.1179 0.0892 0.0892 0.1874 0.1874 0.2831 0.2831 0.4406 0.4406 0.9628 0.9628 12.7433 12.7433 13.3904 13.3904 14.1178 14.1178 15.1965 15.1965 15.2368 15.2368 k = 0.5798 0.3248-0.3058 ( 3463 PWs) bands (ev): -20.2157 -20.2157 -19.8564 -19.8564 -19.6578 -19.6578 -19.5772 -19.5772 -19.4668 -19.4668 -19.1471 -19.1471 -4.5195 -4.5195 -3.6544 -3.6544 -3.0632 -3.0632 -2.7135 -2.7135 -2.6998 -2.6998 -2.0790 -2.0790 -1.5435 -1.5435 -1.3003 -1.3003 -0.7246 -0.7246 -0.4801 -0.4801 -0.4324 -0.4324 -0.2420 -0.2420 -0.1171 -0.1171 0.0976 0.0976 0.2113 0.2113 0.2572 0.2572 0.4447 0.4447 0.9530 0.9530 12.7735 12.7735 13.4083 13.4083 14.0005 14.0005 15.1983 15.1983 15.2631 15.2631 k = 0.5878 0.3293-0.2936 ( 3464 PWs) bands (ev): -20.2082 -20.2082 -19.8792 -19.8792 -19.6564 -19.6564 -19.5724 -19.5724 -19.4524 -19.4524 -19.1522 -19.1522 -4.5036 -4.5036 -3.7068 -3.7068 -3.0447 -3.0447 -2.7225 -2.7225 -2.6601 -2.6601 -2.0585 -2.0585 -1.5751 -1.5751 -1.3170 -1.3170 -0.7388 -0.7388 -0.4806 -0.4806 -0.4215 -0.4215 -0.2257 -0.2257 -0.1146 -0.1146 0.1056 0.1056 0.2244 0.2244 0.2410 0.2410 0.4493 0.4493 0.9424 0.9424 12.8065 12.8065 13.4278 13.4278 13.8827 13.8827 15.2002 15.2002 15.2921 15.2921 k = 0.5958 0.3338-0.2813 ( 3465 PWs) bands (ev): -20.2002 -20.2002 -19.9022 -19.9022 -19.6549 -19.6549 -19.5671 -19.5671 -19.4384 -19.4384 -19.1576 -19.1576 -4.4866 -4.4866 -3.7595 -3.7595 -3.0249 -3.0249 -2.7320 -2.7320 -2.6209 -2.6209 -2.0361 -2.0361 -1.6083 -1.6083 -1.3346 -1.3346 -0.7559 -0.7559 -0.4790 -0.4790 -0.4097 -0.4097 -0.2095 -0.2095 -0.1105 -0.1105 0.1110 0.1110 0.2021 0.2021 0.2617 0.2617 0.4544 0.4544 0.9311 0.9311 12.8422 12.8422 13.4489 13.4489 13.7644 13.7644 15.2022 15.2022 15.3236 15.3236 k = 0.6038 0.3383-0.2691 ( 3468 PWs) bands (ev): -20.1915 -20.1915 -19.9254 -19.9254 -19.6532 -19.6532 -19.5615 -19.5615 -19.4249 -19.4249 -19.1635 -19.1635 -4.4683 -4.4683 -3.8126 -3.8126 -3.0041 -3.0041 -2.7415 -2.7415 -2.5826 -2.5826 -2.0117 -2.0117 -1.6431 -1.6431 -1.3530 -1.3530 -0.7758 -0.7758 -0.4751 -0.4751 -0.3972 -0.3972 -0.1940 -0.1940 -0.1050 -0.1050 0.1079 0.1079 0.1848 0.1848 0.2850 0.2850 0.4600 0.4600 0.9190 0.9190 12.8803 12.8803 13.4715 13.4715 13.6460 13.6460 15.2042 15.2042 15.3576 15.3576 k = 0.6118 0.3427-0.2568 ( 3462 PWs) bands (ev): -20.1821 -20.1821 -19.9489 -19.9489 -19.6515 -19.6515 -19.5554 -19.5554 -19.4118 -19.4118 -19.1697 -19.1697 -4.4490 -4.4490 -3.8660 -3.8660 -2.9828 -2.9828 -2.7505 -2.7505 -2.5452 -2.5452 -1.9855 -1.9855 -1.6791 -1.6791 -1.3722 -1.3722 -0.7981 -0.7981 -0.4690 -0.4690 -0.3841 -0.3841 -0.1794 -0.1794 -0.0982 -0.0982 0.0899 0.0899 0.1820 0.1820 0.3082 0.3082 0.4662 0.4662 0.9064 0.9064 12.9209 12.9209 13.4956 13.4956 13.5275 13.5275 15.2059 15.2059 15.3940 15.3940 k = 0.6197 0.3472-0.2446 ( 3464 PWs) bands (ev): -20.1722 -20.1722 -19.9726 -19.9726 -19.6497 -19.6497 -19.5489 -19.5489 -19.3991 -19.3991 -19.1764 -19.1764 -4.4286 -4.4286 -3.9196 -3.9196 -2.9618 -2.9618 -2.7583 -2.7583 -2.5088 -2.5088 -1.9573 -1.9573 -1.7161 -1.7161 -1.3920 -1.3920 -0.8223 -0.8223 -0.4610 -0.4610 -0.3706 -0.3706 -0.1665 -0.1665 -0.0903 -0.0903 0.0611 0.0611 0.1903 0.1903 0.3309 0.3309 0.4730 0.4730 0.8933 0.8933 12.9637 12.9637 13.4090 13.4090 13.5211 13.5211 15.2073 15.2073 15.4327 15.4327 k = 0.6277 0.3517-0.2323 ( 3468 PWs) bands (ev): -20.1617 -20.1617 -19.9964 -19.9964 -19.6478 -19.6478 -19.5420 -19.5420 -19.3869 -19.3869 -19.1833 -19.1833 -4.4073 -4.4073 -3.9735 -3.9735 -2.9422 -2.9422 -2.7637 -2.7637 -2.4735 -2.4735 -1.9274 -1.9274 -1.7539 -1.7539 -1.4122 -1.4122 -0.8482 -0.8482 -0.4511 -0.4511 -0.3569 -0.3569 -0.1565 -0.1565 -0.0815 -0.0815 0.0288 0.0288 0.2039 0.2039 0.3530 0.3530 0.4803 0.4803 0.8797 0.8797 13.0086 13.0086 13.2905 13.2905 13.5478 13.5478 15.2083 15.2083 15.4735 15.4735 k = 0.6277 0.3517-0.2323 ( 3468 PWs) bands (ev): -20.1617 -20.1617 -19.9964 -19.9964 -19.6478 -19.6478 -19.5420 -19.5420 -19.3869 -19.3869 -19.1833 -19.1833 -4.4073 -4.4073 -3.9735 -3.9735 -2.9422 -2.9422 -2.7637 -2.7637 -2.4735 -2.4735 -1.9274 -1.9274 -1.7539 -1.7539 -1.4122 -1.4122 -0.8482 -0.8482 -0.4511 -0.4511 -0.3569 -0.3569 -0.1565 -0.1565 -0.0815 -0.0815 0.0288 0.0288 0.2039 0.2039 0.3530 0.3530 0.4803 0.4803 0.8797 0.8797 13.0086 13.0086 13.2905 13.2905 13.5478 13.5478 15.2083 15.2083 15.4735 15.4735 k = 0.6233 0.3492-0.2176 ( 3476 PWs) bands (ev): -20.1556 -20.1556 -20.0106 -20.0106 -19.6464 -19.6464 -19.5378 -19.5378 -19.3797 -19.3797 -19.1875 -19.1875 -4.3911 -4.3911 -4.0024 -4.0024 -2.9354 -2.9354 -2.7645 -2.7645 -2.4518 -2.4518 -1.9089 -1.9089 -1.7800 -1.7800 -1.4233 -1.4233 -0.8649 -0.8649 -0.4329 -0.4329 -0.3386 -0.3386 -0.1627 -0.1627 -0.0951 -0.0951 0.0026 0.0026 0.2198 0.2198 0.3694 0.3694 0.4851 0.4851 0.8693 0.8693 13.0202 13.0202 13.2195 13.2195 13.5817 13.5817 15.2159 15.2159 15.5114 15.5114 k = 0.6189 0.3467-0.2028 ( 3476 PWs) bands (ev): -20.1510 -20.1510 -20.0245 -20.0245 -19.6435 -19.6435 -19.5333 -19.5333 -19.3728 -19.3728 -19.1918 -19.1918 -4.3775 -4.3775 -4.0311 -4.0311 -2.9291 -2.9291 -2.7623 -2.7623 -2.4319 -2.4319 -1.8899 -1.8899 -1.8060 -1.8060 -1.4321 -1.4321 -0.8807 -0.8807 -0.4224 -0.4224 -0.3279 -0.3279 -0.1630 -0.1630 -0.1008 -0.1008 -0.0243 -0.0243 0.2377 0.2377 0.3856 0.3856 0.4900 0.4900 0.8587 0.8587 13.0061 13.0061 13.1494 13.1494 13.6412 13.6412 15.2240 15.2240 15.5518 15.5518 k = 0.6145 0.3443-0.1880 ( 3484 PWs) bands (ev): -20.1479 -20.1479 -20.0380 -20.0380 -19.6391 -19.6391 -19.5287 -19.5287 -19.3662 -19.3662 -19.1962 -19.1962 -4.3665 -4.3665 -4.0595 -4.0595 -2.9226 -2.9226 -2.7578 -2.7578 -2.4139 -2.4139 -1.8722 -1.8722 -1.8303 -1.8303 -1.4388 -1.4388 -0.8954 -0.8954 -0.4207 -0.4207 -0.3261 -0.3261 -0.1557 -0.1557 -0.0979 -0.0979 -0.0516 -0.0516 0.2571 0.2571 0.4018 0.4018 0.4951 0.4951 0.8478 0.8478 12.9743 12.9743 13.0803 13.0803 13.7186 13.7186 15.2325 15.2325 15.5947 15.5947 k = 0.6101 0.3418-0.1733 ( 3490 PWs) bands (ev): -20.1460 -20.1460 -20.0512 -20.0512 -19.6332 -19.6332 -19.5238 -19.5238 -19.3599 -19.3599 -19.2009 -19.2009 -4.3581 -4.3581 -4.0877 -4.0877 -2.9155 -2.9155 -2.7514 -2.7514 -2.3976 -2.3976 -1.8709 -1.8709 -1.8374 -1.8374 -1.4435 -1.4435 -0.9090 -0.9090 -0.4274 -0.4274 -0.3324 -0.3324 -0.1415 -0.1415 -0.0882 -0.0882 -0.0776 -0.0776 0.2776 0.2776 0.4176 0.4176 0.5005 0.5005 0.8367 0.8367 12.9317 12.9317 13.0125 13.0125 13.8071 13.8071 15.2414 15.2414 15.6400 15.6400 k = 0.6057 0.3393-0.1585 ( 3488 PWs) bands (ev): -20.1454 -20.1454 -20.0640 -20.0640 -19.6260 -19.6260 -19.5188 -19.5188 -19.3539 -19.3539 -19.2057 -19.2057 -4.3523 -4.3523 -4.1154 -4.1154 -2.9074 -2.9074 -2.7438 -2.7438 -2.3833 -2.3833 -1.8939 -1.8939 -1.8196 -1.8196 -1.4462 -1.4462 -0.9213 -0.9213 -0.4410 -0.4410 -0.3446 -0.3446 -0.1241 -0.1241 -0.1066 -0.1066 -0.0674 -0.0674 0.2988 0.2988 0.4331 0.4331 0.5062 0.5062 0.8255 0.8255 12.8830 12.8830 12.9459 12.9459 13.9020 13.9020 15.2509 15.2509 15.6875 15.6875 k = 0.6013 0.3369-0.1437 ( 3485 PWs) bands (ev): -20.1460 -20.1460 -20.0764 -20.0764 -19.6176 -19.6176 -19.5135 -19.5135 -19.3482 -19.3482 -19.2106 -19.2106 -4.3488 -4.3488 -4.1426 -4.1426 -2.8979 -2.8979 -2.7352 -2.7352 -2.3708 -2.3708 -1.9207 -1.9207 -1.7972 -1.7972 -1.4471 -1.4471 -0.9324 -0.9324 -0.4598 -0.4598 -0.3605 -0.3605 -0.1396 -0.1396 -0.0969 -0.0969 -0.0448 -0.0448 0.3206 0.3206 0.4481 0.4481 0.5122 0.5122 0.8142 0.8142 12.8309 12.8309 12.8807 12.8807 14.0007 14.0007 15.2609 15.2609 15.7373 15.7373 k = 0.5969 0.3344-0.1290 ( 3479 PWs) bands (ev): -20.1475 -20.1475 -20.0884 -20.0884 -19.6080 -19.6080 -19.5081 -19.5081 -19.3430 -19.3430 -19.2157 -19.2157 -4.3475 -4.3475 -4.1691 -4.1691 -2.8870 -2.8870 -2.7260 -2.7260 -2.3601 -2.3601 -1.9483 -1.9483 -1.7733 -1.7733 -1.4464 -1.4464 -0.9420 -0.9420 -0.4820 -0.4820 -0.3788 -0.3788 -0.1686 -0.1686 -0.0724 -0.0724 -0.0191 -0.0191 0.3425 0.3425 0.4625 0.4625 0.5187 0.5187 0.8028 0.8028 12.7772 12.7772 12.8171 12.8171 14.1015 14.1015 15.2715 15.2715 15.7891 15.7891 k = 0.5925 0.3319-0.1142 ( 3483 PWs) bands (ev): -20.1499 -20.1499 -20.1000 -20.1000 -19.5976 -19.5976 -19.5025 -19.5025 -19.3381 -19.3381 -19.2210 -19.2210 -4.3483 -4.3483 -4.1950 -4.1950 -2.8745 -2.8745 -2.7165 -2.7165 -2.3512 -2.3512 -1.9761 -1.9761 -1.7484 -1.7484 -1.4441 -1.4441 -0.9503 -0.9503 -0.5064 -0.5064 -0.3985 -0.3985 -0.1985 -0.1985 -0.0461 -0.0461 0.0083 0.0083 0.3644 0.3644 0.4761 0.4761 0.5256 0.5256 0.7913 0.7913 12.7229 12.7229 12.7552 12.7552 14.2033 14.2033 15.2826 15.2826 15.8429 15.8429 k = 0.5881 0.3295-0.0994 ( 3485 PWs) bands (ev): -20.1530 -20.1530 -20.1111 -20.1111 -19.5864 -19.5864 -19.4967 -19.4967 -19.3337 -19.3337 -19.2264 -19.2264 -4.3510 -4.3510 -4.2202 -4.2202 -2.8606 -2.8606 -2.7067 -2.7067 -2.3440 -2.3440 -2.0040 -2.0040 -1.7226 -1.7226 -1.4405 -1.4405 -0.9571 -0.9571 -0.5322 -0.5322 -0.4191 -0.4191 -0.2290 -0.2290 -0.0188 -0.0188 0.0365 0.0365 0.3861 0.3861 0.4888 0.4888 0.5331 0.5331 0.7797 0.7797 12.6689 12.6689 12.6950 12.6950 14.3053 14.3053 15.2943 15.2943 15.8986 15.8986 k = 0.5837 0.3270-0.0847 ( 3483 PWs) bands (ev): -20.1567 -20.1567 -20.1218 -20.1218 -19.5746 -19.5746 -19.4908 -19.4908 -19.3297 -19.3297 -19.2319 -19.2319 -4.3553 -4.3553 -4.2445 -4.2445 -2.8452 -2.8452 -2.6969 -2.6969 -2.3385 -2.3385 -2.0318 -2.0318 -1.6961 -1.6961 -1.4356 -1.4356 -0.9625 -0.9625 -0.5588 -0.5588 -0.4403 -0.4403 -0.2599 -0.2599 0.0090 0.0090 0.0648 0.0648 0.4074 0.4074 0.5005 0.5005 0.5412 0.5412 0.7683 0.7683 12.6155 12.6155 12.6368 12.6368 14.4069 14.4069 15.3066 15.3066 15.9562 15.9562 k = 0.5793 0.3245-0.0699 ( 3486 PWs) bands (ev): -20.1609 -20.1609 -20.1319 -20.1319 -19.5623 -19.5623 -19.4847 -19.4847 -19.3262 -19.3262 -19.2376 -19.2376 -4.3609 -4.3609 -4.2678 -4.2678 -2.8285 -2.8285 -2.6870 -2.6870 -2.3345 -2.3345 -2.0595 -2.0595 -1.6688 -1.6688 -1.4296 -1.4296 -0.9664 -0.9664 -0.5856 -0.5856 -0.4618 -0.4618 -0.2911 -0.2911 0.0371 0.0371 0.0928 0.0928 0.4281 0.4281 0.5113 0.5113 0.5498 0.5498 0.7568 0.7568 12.5634 12.5634 12.5806 12.5806 14.5077 14.5077 15.3195 15.3195 16.0154 16.0154 k = 0.5749 0.3221-0.0551 ( 3477 PWs) bands (ev): -20.1654 -20.1654 -20.1416 -20.1416 -19.5496 -19.5496 -19.4785 -19.4785 -19.3231 -19.3231 -19.2435 -19.2435 -4.3677 -4.3677 -4.2902 -4.2902 -2.8107 -2.8107 -2.6770 -2.6770 -2.3320 -2.3320 -2.0870 -2.0870 -1.6410 -1.6410 -1.4226 -1.4226 -0.9689 -0.9689 -0.6125 -0.6125 -0.4836 -0.4836 -0.3227 -0.3227 0.0653 0.0653 0.1203 0.1203 0.4480 0.4480 0.5211 0.5211 0.5587 0.5587 0.7455 0.7455 12.5126 12.5126 12.5266 12.5266 14.6071 14.6071 15.3329 15.3329 16.0764 16.0764 k = 0.5705 0.3196-0.0404 ( 3483 PWs) bands (ev): -20.1702 -20.1702 -20.1508 -20.1508 -19.5366 -19.5366 -19.4721 -19.4721 -19.3206 -19.3206 -19.2495 -19.2495 -4.3754 -4.3754 -4.3116 -4.3116 -2.7919 -2.7919 -2.6671 -2.6671 -2.3310 -2.3310 -2.1142 -2.1142 -1.6127 -1.6127 -1.4148 -1.4148 -0.9699 -0.9699 -0.6390 -0.6390 -0.5054 -0.5054 -0.3546 -0.3546 0.0934 0.0934 0.1468 0.1468 0.4672 0.4672 0.5302 0.5302 0.5677 0.5677 0.7342 0.7342 12.4636 12.4636 12.4749 12.4749 14.7046 14.7046 15.3469 15.3469 16.1389 16.1389 k = 0.5661 0.3171-0.0256 ( 3475 PWs) bands (ev): -20.1750 -20.1750 -20.1594 -20.1594 -19.5236 -19.5236 -19.4656 -19.4656 -19.3185 -19.3185 -19.2556 -19.2556 -4.3838 -4.3838 -4.3318 -4.3318 -2.7723 -2.7723 -2.6571 -2.6571 -2.3313 -2.3313 -2.1410 -2.1410 -1.5839 -1.5839 -1.4062 -1.4062 -0.9695 -0.9695 -0.6651 -0.6651 -0.5272 -0.5272 -0.3868 -0.3868 0.1213 0.1213 0.1724 0.1724 0.4853 0.4853 0.5388 0.5388 0.5767 0.5767 0.7232 0.7232 12.4166 12.4166 12.4256 12.4256 14.7999 14.7999 15.3614 15.3614 16.2029 16.2029 k = 0.5617 0.3147-0.0108 ( 3481 PWs) bands (ev): -20.1800 -20.1800 -20.1675 -20.1675 -19.5105 -19.5105 -19.4590 -19.4590 -19.3170 -19.3170 -19.2618 -19.2618 -4.3927 -4.3927 -4.3509 -4.3509 -2.7520 -2.7520 -2.6471 -2.6471 -2.3329 -2.3329 -2.1675 -2.1675 -1.5550 -1.5550 -1.3970 -1.3970 -0.9678 -0.9678 -0.6906 -0.6906 -0.5489 -0.5489 -0.4191 -0.4191 0.1487 0.1487 0.1968 0.1968 0.5025 0.5025 0.5470 0.5470 0.5852 0.5852 0.7124 0.7124 12.3717 12.3717 12.3788 12.3788 14.8923 14.8923 15.3764 15.3764 16.2683 16.2683 k = 0.5573 0.3122 0.0039 ( 3471 PWs) bands (ev): -20.1849 -20.1849 -20.1751 -20.1751 -19.4974 -19.4974 -19.4523 -19.4523 -19.3161 -19.3161 -19.2681 -19.2681 -4.4019 -4.4019 -4.3687 -4.3687 -2.7313 -2.7313 -2.6369 -2.6369 -2.3358 -2.3358 -2.1935 -2.1935 -1.5259 -1.5259 -1.3872 -1.3872 -0.9646 -0.9646 -0.7151 -0.7151 -0.5705 -0.5705 -0.4516 -0.4516 0.1755 0.1755 0.2200 0.2200 0.5185 0.5185 0.5549 0.5549 0.5932 0.5932 0.7019 0.7019 12.3291 12.3291 12.3347 12.3347 14.9812 14.9812 15.3918 15.3918 16.3350 16.3350 k = 0.5528 0.3097 0.0187 ( 3473 PWs) bands (ev): -20.1897 -20.1897 -20.1821 -20.1821 -19.4845 -19.4845 -19.4454 -19.4454 -19.3157 -19.3157 -19.2746 -19.2746 -4.4112 -4.4112 -4.3853 -4.3853 -2.7102 -2.7102 -2.6267 -2.6267 -2.3399 -2.3399 -2.2190 -2.2190 -1.4969 -1.4969 -1.3770 -1.3770 -0.9602 -0.9602 -0.7386 -0.7386 -0.5920 -0.5920 -0.4842 -0.4842 0.2015 0.2015 0.2419 0.2419 0.5333 0.5333 0.5625 0.5625 0.6005 0.6005 0.6918 0.6918 12.2890 12.2890 12.2934 12.2934 15.0659 15.0659 15.4075 15.4075 16.4028 16.4028 k = 0.5484 0.3073 0.0335 ( 3473 PWs) bands (ev): -20.1943 -20.1943 -20.1886 -20.1886 -19.4718 -19.4718 -19.4385 -19.4385 -19.3159 -19.3159 -19.2812 -19.2812 -4.4205 -4.4205 -4.4007 -4.4007 -2.6889 -2.6889 -2.6162 -2.6162 -2.3452 -2.3452 -2.2439 -2.2439 -1.4681 -1.4681 -1.3664 -1.3664 -0.9545 -0.9545 -0.7608 -0.7608 -0.6132 -0.6132 -0.5167 -0.5167 0.2265 0.2265 0.2624 0.2624 0.5468 0.5468 0.5699 0.5699 0.6071 0.6071 0.6821 0.6821 12.2516 12.2516 12.2549 12.2549 15.1459 15.1459 15.4235 15.4235 16.4717 16.4717 k = 0.5440 0.3048 0.0482 ( 3479 PWs) bands (ev): -20.1987 -20.1987 -20.1945 -20.1945 -19.4593 -19.4593 -19.4315 -19.4315 -19.3167 -19.3167 -19.2878 -19.2878 -4.4295 -4.4295 -4.4147 -4.4147 -2.6676 -2.6676 -2.6055 -2.6055 -2.3516 -2.3516 -2.2682 -2.2682 -1.4399 -1.4399 -1.3556 -1.3556 -0.9476 -0.9476 -0.7816 -0.7816 -0.6342 -0.6342 -0.5492 -0.5492 0.2502 0.2502 0.2815 0.2815 0.5589 0.5589 0.5770 0.5770 0.6128 0.6128 0.6729 0.6729 12.2170 12.2170 12.2195 12.2195 15.2202 15.2202 15.4397 15.4397 16.5415 16.5415 k = 0.5396 0.3023 0.0630 ( 3485 PWs) bands (ev): -20.2029 -20.2029 -20.1998 -20.1998 -19.4472 -19.4472 -19.4244 -19.4244 -19.3181 -19.3181 -19.2946 -19.2946 -4.4381 -4.4381 -4.4274 -4.4274 -2.6463 -2.6463 -2.5945 -2.5945 -2.3591 -2.3591 -2.2918 -2.2918 -1.4125 -1.4125 -1.3446 -1.3446 -0.9396 -0.9396 -0.8005 -0.8005 -0.6550 -0.6550 -0.5814 -0.5814 0.2726 0.2726 0.2991 0.2991 0.5696 0.5696 0.5838 0.5838 0.6177 0.6177 0.6644 0.6644 12.1853 12.1853 12.1871 12.1871 15.2880 15.2880 15.4558 15.4558 16.6120 16.6120 k = 0.5352 0.2999 0.0778 ( 3485 PWs) bands (ev): -20.2067 -20.2067 -20.2046 -20.2046 -19.4354 -19.4354 -19.4172 -19.4172 -19.3201 -19.3201 -19.3015 -19.3015 -4.4462 -4.4462 -4.4387 -4.4387 -2.6252 -2.6252 -2.5831 -2.5831 -2.3677 -2.3677 -2.3148 -2.3148 -1.3863 -1.3863 -1.3336 -1.3336 -0.9304 -0.9304 -0.8173 -0.8173 -0.6754 -0.6754 -0.6132 -0.6132 0.2933 0.2933 0.3154 0.3154 0.5788 0.5788 0.5902 0.5902 0.6218 0.6218 0.6566 0.6566 12.1566 12.1566 12.1578 12.1578 15.3488 15.3488 15.4717 15.4717 16.6833 16.6833 k = 0.5308 0.2974 0.0925 ( 3485 PWs) bands (ev): -20.2102 -20.2102 -20.2088 -20.2088 -19.4241 -19.4241 -19.4100 -19.4100 -19.3228 -19.3228 -19.3084 -19.3084 -4.4537 -4.4537 -4.4487 -4.4487 -2.6043 -2.6043 -2.5713 -2.5713 -2.3773 -2.3773 -2.3370 -2.3370 -1.3616 -1.3616 -1.3227 -1.3227 -0.9202 -0.9202 -0.8315 -0.8315 -0.6955 -0.6955 -0.6446 -0.6446 0.3122 0.3122 0.3301 0.3301 0.5865 0.5865 0.5961 0.5961 0.6252 0.6252 0.6498 0.6498 12.1310 12.1310 12.1318 12.1318 15.4017 15.4017 15.4873 15.4873 16.7549 16.7549 k = 0.5264 0.2949 0.1073 ( 3483 PWs) bands (ev): -20.2133 -20.2133 -20.2124 -20.2124 -19.4132 -19.4132 -19.4028 -19.4028 -19.3260 -19.3260 -19.3155 -19.3155 -4.4604 -4.4604 -4.4573 -4.4573 -2.5838 -2.5838 -2.5590 -2.5590 -2.3879 -2.3879 -2.3585 -2.3585 -1.3391 -1.3391 -1.3121 -1.3121 -0.9090 -0.9090 -0.8427 -0.8427 -0.7152 -0.7152 -0.6751 -0.6751 0.3290 0.3290 0.3433 0.3433 0.5927 0.5927 0.6011 0.6011 0.6279 0.6279 0.6441 0.6441 12.1087 12.1087 12.1092 12.1092 15.4465 15.4465 15.5022 15.5022 16.8269 16.8269 k = 0.5220 0.2925 0.1221 ( 3487 PWs) bands (ev): -20.2160 -20.2160 -20.2155 -20.2155 -19.4027 -19.4027 -19.3955 -19.3955 -19.3299 -19.3299 -19.3226 -19.3226 -4.4664 -4.4664 -4.4645 -4.4645 -2.5638 -2.5638 -2.5462 -2.5462 -2.3995 -2.3995 -2.3793 -2.3793 -1.3192 -1.3192 -1.3021 -1.3021 -0.8968 -0.8968 -0.8505 -0.8505 -0.7345 -0.7345 -0.7047 -0.7047 0.3435 0.3435 0.3548 0.3548 0.5974 0.5974 0.6051 0.6051 0.6302 0.6302 0.6398 0.6398 12.0896 12.0896 12.0899 12.0899 15.4831 15.4831 15.5161 15.5161 16.8991 16.8991 k = 0.5176 0.2900 0.1368 ( 3481 PWs) bands (ev): -20.2182 -20.2182 -20.2180 -20.2180 -19.3928 -19.3928 -19.3882 -19.3882 -19.3344 -19.3344 -19.3297 -19.3297 -4.4714 -4.4714 -4.4704 -4.4704 -2.5443 -2.5443 -2.5328 -2.5328 -2.4120 -2.4120 -2.3992 -2.3992 -1.3025 -1.3025 -1.2929 -1.2929 -0.8838 -0.8838 -0.8542 -0.8542 -0.7534 -0.7534 -0.7329 -0.7329 0.3557 0.3557 0.3645 0.3645 0.6009 0.6009 0.6077 0.6077 0.6320 0.6320 0.6369 0.6369 12.0739 12.0739 12.0740 12.0740 15.5115 15.5115 15.5288 15.5288 16.9712 16.9712 k = 0.5132 0.2875 0.1516 ( 3482 PWs) bands (ev): -20.2200 -20.2200 -20.2199 -20.2199 -19.3835 -19.3835 -19.3808 -19.3808 -19.3396 -19.3396 -19.3369 -19.3369 -4.4753 -4.4753 -4.4749 -4.4749 -2.5254 -2.5254 -2.5189 -2.5189 -2.4254 -2.4254 -2.4183 -2.4183 -1.2894 -1.2894 -1.2848 -1.2848 -0.8699 -0.8699 -0.8534 -0.8534 -0.7718 -0.7718 -0.7595 -0.7595 0.3655 0.3655 0.3721 0.3721 0.6034 0.6034 0.6090 0.6090 0.6334 0.6334 0.6354 0.6354 12.0616 12.0616 12.0617 12.0617 15.5322 15.5322 15.5397 15.5397 17.0431 17.0431 k = 0.5088 0.2851 0.1664 ( 3486 PWs) bands (ev): -20.2213 -20.2213 -20.2213 -20.2213 -19.3747 -19.3747 -19.3735 -19.3735 -19.3454 -19.3454 -19.3442 -19.3442 -4.4783 -4.4783 -4.4781 -4.4781 -2.5073 -2.5073 -2.5044 -2.5044 -2.4396 -2.4396 -2.4365 -2.4365 -1.2801 -1.2801 -1.2784 -1.2784 -0.8552 -0.8552 -0.8481 -0.8481 -0.7897 -0.7897 -0.7838 -0.7838 0.3729 0.3729 0.3773 0.3773 0.6051 0.6051 0.6092 0.6092 0.6344 0.6344 0.6350 0.6350 12.0528 12.0528 12.0528 12.0528 15.5460 15.5460 15.5483 15.5483 17.1146 17.1146 k = 0.5044 0.2826 0.1811 ( 3492 PWs) bands (ev): -20.2221 -20.2221 -20.2221 -20.2221 -19.3664 -19.3664 -19.3661 -19.3661 -19.3518 -19.3518 -19.3515 -19.3515 -4.4801 -4.4801 -4.4800 -4.4800 -2.4904 -2.4904 -2.4897 -2.4897 -2.4542 -2.4542 -2.4535 -2.4535 -1.2748 -1.2748 -1.2742 -1.2742 -0.8398 -0.8398 -0.8381 -0.8381 -0.8070 -0.8070 -0.8054 -0.8054 0.3778 0.3778 0.3800 0.3800 0.6065 0.6065 0.6086 0.6086 0.6350 0.6350 0.6351 0.6351 12.0475 12.0475 12.0475 12.0475 15.5536 15.5536 15.5540 15.5540 17.1855 17.1855 k = 0.5000 0.2801 0.1959 ( 3498 PWs) bands (ev): -20.2224 -20.2224 -20.2224 -20.2224 -19.3592 -19.3592 -19.3592 -19.3592 -19.3584 -19.3584 -19.3584 -19.3584 -4.4807 -4.4807 -4.4807 -4.4807 -2.4793 -2.4793 -2.4793 -2.4793 -2.4646 -2.4646 -2.4646 -2.4646 -1.2729 -1.2729 -1.2729 -1.2729 -0.8244 -0.8244 -0.8244 -0.8244 -0.8230 -0.8230 -0.8230 -0.8230 0.3802 0.3802 0.3802 0.3802 0.6077 0.6077 0.6077 0.6077 0.6352 0.6352 0.6352 0.6352 12.0457 12.0457 12.0457 12.0457 15.5560 15.5560 15.5560 15.5560 17.2554 17.2554 k = 0.5000-0.3062-0.2141 ( 3480 PWs) bands (ev): -20.2077 -20.2077 -20.2077 -20.2077 -19.3865 -19.3865 -19.3865 -19.3865 -19.3464 -19.3464 -19.3464 -19.3464 -4.5927 -4.5927 -4.5927 -4.5927 -2.5998 -2.5998 -2.5998 -2.5998 -2.2479 -2.2479 -2.2479 -2.2479 -1.3093 -1.3093 -1.3093 -1.3093 -0.8746 -0.8746 -0.8746 -0.8746 -0.7994 -0.7994 -0.7994 -0.7994 0.4971 0.4971 0.4971 0.4971 0.5980 0.5980 0.5980 0.5980 0.7240 0.7240 0.7240 0.7240 12.1902 12.1902 12.1902 12.1902 14.9562 14.9562 14.9562 14.9562 16.8933 16.8933 k = 0.5095-0.2958-0.2069 ( 3480 PWs) bands (ev): -20.2078 -20.2078 -20.2070 -20.2070 -19.3939 -19.3939 -19.3795 -19.3795 -19.3548 -19.3548 -19.3383 -19.3383 -4.5941 -4.5941 -4.5895 -4.5895 -2.6100 -2.6100 -2.5892 -2.5892 -2.2724 -2.2724 -2.2242 -2.2242 -1.3127 -1.3127 -1.3094 -1.3094 -0.8907 -0.8907 -0.8548 -0.8548 -0.8126 -0.8126 -0.7851 -0.7851 0.4941 0.4941 0.4988 0.4988 0.5925 0.5925 0.6017 0.6017 0.7149 0.7149 0.7323 0.7323 12.1912 12.1912 12.1928 12.1928 14.9445 14.9445 14.9668 14.9668 16.8013 16.8013 k = 0.5189-0.2854-0.1996 ( 3472 PWs) bands (ev): -20.2073 -20.2073 -20.2058 -20.2058 -19.4015 -19.4015 -19.3727 -19.3727 -19.3636 -19.3636 -19.3306 -19.3306 -4.5939 -4.5939 -4.5846 -4.5846 -2.6197 -2.6197 -2.5782 -2.5782 -2.2976 -2.2976 -2.2012 -2.2012 -1.3199 -1.3199 -1.3126 -1.3126 -0.9028 -0.9028 -0.8322 -0.8322 -0.8237 -0.8237 -0.7700 -0.7700 0.4900 0.4900 0.4995 0.4995 0.5854 0.5854 0.6036 0.6036 0.7048 0.7048 0.7398 0.7398 12.1956 12.1956 12.1989 12.1989 14.9317 14.9317 14.9768 14.9768 16.7090 16.7090 k = 0.5284-0.2750-0.1924 ( 3466 PWs) bands (ev): -20.2064 -20.2064 -20.2041 -20.2041 -19.4094 -19.4094 -19.3726 -19.3726 -19.3663 -19.3663 -19.3232 -19.3232 -4.5921 -4.5921 -4.5780 -4.5780 -2.6290 -2.6290 -2.5669 -2.5669 -2.3235 -2.3235 -2.1790 -2.1790 -1.3312 -1.3312 -1.3181 -1.3181 -0.9112 -0.9112 -0.8348 -0.8348 -0.8050 -0.8050 -0.7540 -0.7540 0.4845 0.4845 0.4991 0.4991 0.5765 0.5765 0.6036 0.6036 0.6939 0.6939 0.7465 0.7465 12.2036 12.2036 12.2085 12.2085 14.9172 14.9172 14.9863 14.9863 16.6172 16.6172 k = 0.5378-0.2647-0.1851 ( 3471 PWs) bands (ev): -20.2050 -20.2050 -20.2018 -20.2018 -19.4177 -19.4177 -19.3819 -19.3819 -19.3603 -19.3603 -19.3161 -19.3161 -4.5887 -4.5887 -4.5696 -4.5696 -2.6380 -2.6380 -2.5552 -2.5552 -2.3500 -2.3500 -2.1576 -2.1576 -1.3464 -1.3464 -1.3255 -1.3255 -0.9166 -0.9166 -0.8422 -0.8422 -0.7768 -0.7768 -0.7374 -0.7374 0.4776 0.4776 0.4976 0.4976 0.5661 0.5661 0.6017 0.6017 0.6822 0.6822 0.7527 0.7527 12.2152 12.2152 12.2215 12.2215 14.9008 14.9008 14.9956 14.9956 16.5263 16.5263 k = 0.5473-0.2543-0.1778 ( 3476 PWs) bands (ev): -20.2031 -20.2031 -20.1989 -20.1989 -19.4264 -19.4264 -19.3912 -19.3912 -19.3547 -19.3547 -19.3094 -19.3094 -4.5838 -4.5838 -4.5595 -4.5595 -2.6465 -2.6465 -2.5432 -2.5432 -2.3772 -2.3772 -2.1369 -2.1369 -1.3652 -1.3652 -1.3342 -1.3342 -0.9201 -0.9201 -0.8463 -0.8463 -0.7470 -0.7470 -0.7199 -0.7199 0.4693 0.4693 0.4949 0.4949 0.5541 0.5541 0.5977 0.5977 0.6700 0.6700 0.7584 0.7584 12.2302 12.2302 12.2378 12.2378 14.8818 14.8818 15.0046 15.0046 16.4371 16.4371 k = 0.5568-0.2439-0.1706 ( 3478 PWs) bands (ev): -20.2007 -20.2007 -20.1954 -20.1954 -19.4355 -19.4355 -19.4007 -19.4007 -19.3496 -19.3496 -19.3028 -19.3028 -4.5775 -4.5775 -4.5476 -4.5476 -2.6547 -2.6547 -2.5311 -2.5311 -2.4049 -2.4049 -2.1170 -2.1170 -1.3868 -1.3868 -1.3437 -1.3437 -0.9233 -0.9233 -0.8462 -0.8462 -0.7169 -0.7169 -0.7008 -0.7008 0.4595 0.4595 0.4910 0.4910 0.5407 0.5407 0.5916 0.5916 0.6574 0.6574 0.7637 0.7637 12.2487 12.2487 12.2573 12.2573 14.8599 14.8599 15.0136 15.0136 16.3502 16.3502 k = 0.5662-0.2335-0.1633 ( 3485 PWs) bands (ev): -20.1980 -20.1980 -20.1913 -20.1913 -19.4451 -19.4451 -19.4100 -19.4100 -19.3450 -19.3450 -19.2965 -19.2965 -4.5699 -4.5699 -4.5339 -4.5339 -2.6625 -2.6625 -2.5188 -2.5188 -2.4330 -2.4330 -2.0977 -2.0977 -1.4109 -1.4109 -1.3538 -1.3538 -0.9270 -0.9270 -0.8412 -0.8412 -0.6910 -0.6910 -0.6761 -0.6761 0.4480 0.4480 0.4855 0.4855 0.5261 0.5261 0.5833 0.5833 0.6448 0.6448 0.7687 0.7687 12.2707 12.2707 12.2801 12.2801 14.8345 14.8345 15.0227 15.0227 16.2661 16.2661 k = 0.5757-0.2232-0.1561 ( 3484 PWs) bands (ev): -20.1949 -20.1949 -20.1867 -20.1867 -19.4553 -19.4553 -19.4192 -19.4192 -19.3411 -19.3411 -19.2902 -19.2902 -4.5610 -4.5610 -4.5185 -4.5185 -2.6700 -2.6700 -2.5067 -2.5067 -2.4613 -2.4613 -2.0792 -2.0792 -1.4367 -1.4367 -1.3642 -1.3642 -0.9314 -0.9314 -0.8319 -0.8319 -0.6708 -0.6708 -0.6447 -0.6447 0.4348 0.4348 0.4782 0.4782 0.5103 0.5103 0.5730 0.5730 0.6326 0.6326 0.7736 0.7736 12.2961 12.2961 12.3060 12.3060 14.8050 14.8050 15.0318 15.0318 16.1856 16.1856 k = 0.5851-0.2128-0.1488 ( 3480 PWs) bands (ev): -20.1915 -20.1915 -20.1814 -20.1814 -19.4660 -19.4660 -19.4280 -19.4280 -19.3378 -19.3378 -19.2841 -19.2841 -4.5511 -4.5511 -4.5014 -4.5014 -2.6774 -2.6774 -2.4980 -2.4980 -2.4865 -2.4865 -2.0612 -2.0612 -1.4639 -1.4639 -1.3746 -1.3746 -0.9361 -0.9361 -0.8189 -0.8189 -0.6519 -0.6519 -0.6111 -0.6111 0.4198 0.4198 0.4685 0.4685 0.4935 0.4935 0.5611 0.5611 0.6210 0.6210 0.7784 0.7784 12.3247 12.3247 12.3349 12.3349 14.7708 14.7708 15.0411 15.0411 16.1092 16.1092 k = 0.5946-0.2024-0.1416 ( 3481 PWs) bands (ev): -20.1878 -20.1878 -20.1756 -20.1756 -19.4773 -19.4773 -19.4366 -19.4366 -19.3352 -19.3352 -19.2780 -19.2780 -4.5401 -4.5401 -4.4827 -4.4827 -2.6845 -2.6845 -2.5211 -2.5211 -2.4805 -2.4805 -2.0438 -2.0438 -1.4920 -1.4920 -1.3848 -1.3848 -0.9407 -0.9407 -0.8030 -0.8030 -0.6332 -0.6332 -0.5767 -0.5767 0.4031 0.4031 0.4560 0.4560 0.4756 0.4756 0.5484 0.5484 0.6098 0.6098 0.7832 0.7832 12.3566 12.3566 12.3666 12.3666 14.7314 14.7314 15.0505 15.0505 16.0374 16.0374 k = 0.6041-0.1920-0.1343 ( 3477 PWs) bands (ev): -20.1838 -20.1838 -20.1692 -20.1692 -19.4892 -19.4892 -19.4448 -19.4448 -19.3332 -19.3332 -19.2719 -19.2719 -4.5283 -4.5283 -4.4623 -4.4623 -2.6915 -2.6915 -2.5500 -2.5500 -2.4689 -2.4689 -2.0270 -2.0270 -1.5207 -1.5207 -1.3948 -1.3948 -0.9448 -0.9448 -0.7849 -0.7849 -0.6145 -0.6145 -0.5419 -0.5419 0.3846 0.3846 0.4405 0.4405 0.4565 0.4565 0.5358 0.5358 0.5990 0.5990 0.7880 0.7880 12.3917 12.3917 12.4011 12.4011 14.6863 14.6863 15.0601 15.0601 15.9707 15.9707 k = 0.6135-0.1817-0.1271 ( 3478 PWs) bands (ev): -20.1797 -20.1797 -20.1622 -20.1622 -19.5014 -19.5014 -19.4527 -19.4527 -19.3321 -19.3321 -19.2659 -19.2659 -4.5159 -4.5159 -4.4403 -4.4403 -2.6985 -2.6985 -2.5792 -2.5792 -2.4576 -2.4576 -2.0106 -2.0106 -1.5496 -1.5496 -1.4042 -1.4042 -0.9482 -0.9482 -0.7651 -0.7651 -0.5958 -0.5958 -0.5070 -0.5070 0.3642 0.3642 0.4221 0.4221 0.4358 0.4358 0.5240 0.5240 0.5885 0.5885 0.7929 0.7929 12.4299 12.4299 12.4382 12.4382 14.6353 14.6353 15.0698 15.0698 15.9095 15.9095 k = 0.6230-0.1713-0.1198 ( 3476 PWs) bands (ev): -20.1755 -20.1755 -20.1547 -20.1547 -19.5140 -19.5140 -19.4603 -19.4603 -19.3316 -19.3316 -19.2598 -19.2598 -4.5029 -4.5029 -4.4168 -4.4168 -2.7056 -2.7056 -2.6081 -2.6081 -2.4468 -2.4468 -1.9945 -1.9945 -1.5785 -1.5785 -1.4131 -1.4131 -0.9506 -0.9506 -0.7440 -0.7440 -0.5771 -0.5771 -0.4722 -0.4722 0.3421 0.3421 0.4004 0.4004 0.4143 0.4143 0.5130 0.5130 0.5782 0.5782 0.7978 0.7978 12.4710 12.4710 12.4778 12.4778 14.5782 14.5782 15.0797 15.0797 15.8537 15.8537 k = 0.6324-0.1609-0.1125 ( 3471 PWs) bands (ev): -20.1712 -20.1712 -20.1466 -20.1466 -19.5268 -19.5268 -19.4676 -19.4676 -19.3318 -19.3318 -19.2538 -19.2538 -4.4896 -4.4896 -4.3918 -4.3918 -2.7130 -2.7130 -2.6365 -2.6365 -2.4368 -2.4368 -1.9787 -1.9787 -1.6074 -1.6074 -1.4213 -1.4213 -0.9519 -0.9519 -0.7219 -0.7219 -0.5584 -0.5584 -0.4375 -0.4375 0.3182 0.3182 0.3749 0.3749 0.3932 0.3932 0.5025 0.5025 0.5681 0.5681 0.8030 0.8030 12.5149 12.5149 12.5196 12.5196 14.5152 14.5152 15.0898 15.0898 15.8035 15.8035 k = 0.6419-0.1505-0.1053 ( 3470 PWs) bands (ev): -20.1670 -20.1670 -20.1379 -20.1379 -19.5396 -19.5396 -19.4747 -19.4747 -19.3328 -19.3328 -19.2478 -19.2478 -4.4762 -4.4762 -4.3655 -4.3655 -2.7212 -2.7212 -2.6637 -2.6637 -2.4278 -2.4278 -1.9631 -1.9631 -1.6359 -1.6359 -1.4287 -1.4287 -0.9520 -0.9520 -0.6990 -0.6990 -0.5398 -0.5398 -0.4032 -0.4032 0.2927 0.2927 0.3459 0.3459 0.3727 0.3727 0.4923 0.4923 0.5584 0.5584 0.8082 0.8082 12.5616 12.5616 12.5636 12.5636 14.4465 14.4465 15.0998 15.0998 15.7586 15.7586 k = 0.6514-0.1402-0.0980 ( 3469 PWs) bands (ev): -20.1629 -20.1629 -20.1288 -20.1288 -19.5524 -19.5524 -19.4815 -19.4815 -19.3344 -19.3344 -19.2419 -19.2419 -4.4630 -4.4630 -4.3378 -4.3378 -2.7312 -2.7312 -2.6886 -2.6886 -2.4201 -2.4201 -1.9475 -1.9475 -1.6640 -1.6640 -1.4352 -1.4352 -0.9507 -0.9507 -0.6756 -0.6756 -0.5213 -0.5213 -0.3692 -0.3692 0.2657 0.2657 0.3143 0.3143 0.3528 0.3528 0.4820 0.4820 0.5492 0.5492 0.8136 0.8136 12.6093 12.6093 12.6111 12.6111 14.3726 14.3726 15.1100 15.1100 15.7187 15.7187 k = 0.6608-0.1298-0.0908 ( 3471 PWs) bands (ev): -20.1590 -20.1590 -20.1190 -20.1190 -19.5651 -19.5651 -19.4881 -19.4881 -19.3366 -19.3366 -19.2360 -19.2360 -4.4501 -4.4501 -4.3088 -4.3088 -2.7453 -2.7453 -2.7086 -2.7086 -2.4139 -2.4139 -1.9319 -1.9319 -1.6915 -1.6915 -1.4406 -1.4406 -0.9481 -0.9481 -0.6518 -0.6518 -0.5029 -0.5029 -0.3358 -0.3358 0.2372 0.2372 0.2807 0.2807 0.3333 0.3333 0.4712 0.4712 0.5404 0.5404 0.8192 0.8192 12.6567 12.6567 12.6630 12.6630 14.2941 14.2941 15.1201 15.1201 15.6832 15.6832 k = 0.6703-0.1194-0.0835 ( 3471 PWs) bands (ev): -20.1556 -20.1556 -20.1088 -20.1088 -19.5773 -19.5773 -19.4944 -19.4944 -19.3394 -19.3394 -19.2302 -19.2302 -4.4380 -4.4380 -4.2788 -4.2788 -2.7648 -2.7648 -2.7223 -2.7223 -2.4093 -2.4093 -1.9162 -1.9162 -1.7184 -1.7184 -1.4449 -1.4449 -0.9440 -0.9440 -0.6279 -0.6279 -0.4848 -0.4848 -0.3031 -0.3031 0.2076 0.2076 0.2454 0.2454 0.3145 0.3145 0.4600 0.4600 0.5324 0.5324 0.8249 0.8249 12.7054 12.7054 12.7172 12.7172 14.2117 14.2117 15.1302 15.1302 15.6516 15.6516 k = 0.6797-0.1090-0.0763 ( 3461 PWs) bands (ev): -20.1526 -20.1526 -20.0981 -20.0981 -19.5891 -19.5891 -19.5006 -19.5006 -19.3428 -19.3428 -19.2245 -19.2245 -4.4267 -4.4267 -4.2476 -4.2476 -2.7874 -2.7874 -2.7319 -2.7319 -2.4067 -2.4067 -1.9003 -1.9003 -1.7445 -1.7445 -1.4479 -1.4479 -0.9385 -0.9385 -0.6040 -0.6040 -0.4669 -0.4669 -0.2713 -0.2713 0.1770 0.1770 0.2090 0.2090 0.2965 0.2965 0.4483 0.4483 0.5249 0.5249 0.8307 0.8307 12.7550 12.7550 12.7737 12.7737 14.1263 14.1263 15.1401 15.1401 15.6236 15.6236 k = 0.6892-0.0987-0.0690 ( 3465 PWs) bands (ev): -20.1502 -20.1502 -20.0869 -20.0869 -19.6003 -19.6003 -19.5065 -19.5065 -19.3467 -19.3467 -19.2188 -19.2188 -4.4168 -4.4168 -4.2155 -4.2155 -2.8105 -2.8105 -2.7395 -2.7395 -2.4062 -2.4062 -1.8843 -1.8843 -1.7697 -1.7697 -1.4496 -1.4496 -0.9316 -0.9316 -0.5804 -0.5804 -0.4495 -0.4495 -0.2407 -0.2407 0.1456 0.1456 0.1718 0.1718 0.2794 0.2794 0.4362 0.4362 0.5180 0.5180 0.8366 0.8366 12.8050 12.8050 12.8324 12.8324 14.0387 14.0387 15.1499 15.1499 15.5984 15.5984 k = 0.6987-0.0883-0.0617 ( 3464 PWs) bands (ev): -20.1485 -20.1485 -20.0752 -20.0752 -19.6106 -19.6106 -19.5122 -19.5122 -19.3512 -19.3512 -19.2133 -19.2133 -4.4084 -4.4084 -4.1826 -4.1826 -2.8331 -2.8331 -2.7461 -2.7461 -2.4081 -2.4081 -1.8683 -1.8683 -1.7936 -1.7936 -1.4497 -1.4497 -0.9233 -0.9233 -0.5572 -0.5572 -0.4326 -0.4326 -0.2116 -0.2116 0.1139 0.1139 0.1344 0.1344 0.2635 0.2635 0.4238 0.4238 0.5116 0.5116 0.8426 0.8426 12.8546 12.8546 12.8930 12.8930 13.9502 13.9502 15.1594 15.1594 15.5758 15.5758 k = 0.7081-0.0779-0.0545 ( 3472 PWs) bands (ev): -20.1478 -20.1478 -20.0631 -20.0631 -19.6200 -19.6200 -19.5178 -19.5178 -19.3561 -19.3561 -19.2080 -19.2080 -4.4019 -4.4019 -4.1489 -4.1489 -2.8546 -2.8546 -2.7518 -2.7518 -2.4124 -2.4124 -1.8539 -1.8539 -1.8147 -1.8147 -1.4481 -1.4481 -0.9135 -0.9135 -0.5348 -0.5348 -0.4163 -0.4163 -0.1848 -0.1848 0.0821 0.0821 0.0976 0.0976 0.2489 0.2489 0.4112 0.4112 0.5056 0.5056 0.8487 0.8487 12.9027 12.9027 12.9555 12.9555 13.8621 13.8621 15.1686 15.1686 15.5552 15.5552 k = 0.7176-0.0675-0.0472 ( 3466 PWs) bands (ev): -20.1480 -20.1480 -20.0505 -20.0505 -19.6283 -19.6283 -19.5231 -19.5231 -19.3615 -19.3615 -19.2027 -19.2027 -4.3976 -4.3976 -4.1146 -4.1146 -2.8748 -2.8748 -2.7567 -2.7567 -2.4193 -2.4193 -1.8519 -1.8519 -1.8221 -1.8221 -1.4448 -1.4448 -0.9025 -0.9025 -0.5136 -0.5136 -0.4009 -0.4009 -0.1616 -0.1616 0.0497 0.0497 0.0639 0.0639 0.2360 0.2360 0.3986 0.3986 0.5000 0.5000 0.8548 0.8548 12.9474 12.9474 13.0197 13.0197 13.7765 13.7765 15.1775 15.1775 15.5364 15.5364 k = 0.7271-0.0572-0.0400 ( 3460 PWs) bands (ev): -20.1495 -20.1495 -20.0375 -20.0375 -19.6354 -19.6354 -19.5281 -19.5281 -19.3673 -19.3673 -19.1976 -19.1976 -4.3957 -4.3957 -4.0797 -4.0797 -2.8935 -2.8935 -2.7607 -2.7607 -2.4288 -2.4288 -1.8687 -1.8687 -1.8091 -1.8091 -1.4397 -1.4397 -0.8903 -0.8903 -0.4939 -0.4939 -0.3867 -0.3867 -0.1444 -0.1444 0.0155 0.0155 0.0377 0.0377 0.2248 0.2248 0.3864 0.3864 0.4947 0.4947 0.8610 0.8610 12.9860 12.9860 13.0854 13.0854 13.6965 13.6965 15.1859 15.1859 15.5190 15.5190 k = 0.7365-0.0468-0.0327 ( 3462 PWs) bands (ev): -20.1522 -20.1522 -20.0241 -20.0241 -19.6410 -19.6410 -19.5330 -19.5330 -19.3735 -19.3735 -19.1927 -19.1927 -4.3966 -4.3966 -4.0445 -4.0445 -2.9110 -2.9110 -2.7634 -2.7634 -2.4410 -2.4410 -1.8886 -1.8886 -1.7917 -1.7917 -1.4326 -1.4326 -0.8770 -0.8770 -0.4765 -0.4765 -0.3740 -0.3740 -0.1368 -0.1368 -0.0191 -0.0191 0.0223 0.0223 0.2156 0.2156 0.3745 0.3745 0.4897 0.4897 0.8672 0.8672 13.0138 13.0138 13.1526 13.1526 13.6270 13.6270 15.1939 15.1939 15.5029 15.5029 k = 0.7460-0.0364-0.0255 ( 3462 PWs) bands (ev): -20.1562 -20.1562 -20.0104 -20.0104 -19.6452 -19.6452 -19.5376 -19.5376 -19.3800 -19.3800 -19.1879 -19.1879 -4.4004 -4.4004 -4.0091 -4.0091 -2.9271 -2.9271 -2.7645 -2.7645 -2.4560 -2.4560 -1.9084 -1.9084 -1.7731 -1.7731 -1.4234 -1.4234 -0.8629 -0.8629 -0.4619 -0.4619 -0.3637 -0.3637 -0.1417 -0.1417 -0.0519 -0.0519 0.0200 0.0200 0.2086 0.2086 0.3633 0.3633 0.4849 0.4849 0.8735 0.8735 13.0237 13.0237 13.2210 13.2210 13.5751 13.5751 15.2014 15.2014 15.4878 15.4878 k = 0.7554-0.0260-0.0182 ( 3468 PWs) bands (ev): -20.1617 -20.1617 -19.9964 -19.9964 -19.6477 -19.6477 -19.5420 -19.5420 -19.3869 -19.3869 -19.1834 -19.1834 -4.4074 -4.4074 -3.9735 -3.9735 -2.9422 -2.9422 -2.7637 -2.7637 -2.4735 -2.4735 -1.9274 -1.9274 -1.7539 -1.7539 -1.4122 -1.4122 -0.8482 -0.8482 -0.4511 -0.4511 -0.3569 -0.3569 -0.1565 -0.1565 -0.0815 -0.0815 0.0288 0.0288 0.2039 0.2039 0.3530 0.3530 0.4803 0.4803 0.8797 0.8797 13.0086 13.0086 13.2905 13.2905 13.5478 13.5478 15.2083 15.2083 15.4735 15.4735 Writing output data file AlF3.save init_run : 0.38s CPU 0.61s WALL ( 1 calls) electrons : 351.20s CPU 353.26s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.12s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 351.19s CPU 353.25s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.03s WALL ( 289 calls) cegterg : 334.45s CPU 336.22s WALL ( 844 calls) Called by sum_band: Called by *egterg: h_psi : 208.73s CPU 213.94s WALL ( 14560 calls) s_psi : 5.88s CPU 6.36s WALL ( 14560 calls) g_psi : 0.43s CPU 0.44s WALL ( 13427 calls) cdiaghg : 101.22s CPU 100.28s WALL ( 13716 calls) cegterg:over : 10.00s CPU 9.96s WALL ( 13427 calls) cegterg:upda : 3.45s CPU 4.69s WALL ( 13427 calls) cegterg:last : 2.32s CPU 2.80s WALL ( 1711 calls) Called by h_psi: h_psi:vloc : 200.80s CPU 202.56s WALL ( 14560 calls) h_psi:vnl : 7.83s CPU 11.12s WALL ( 14560 calls) add_vuspsi : 2.46s CPU 4.56s WALL ( 14560 calls) General routines calbec : 5.36s CPU 6.52s WALL ( 14560 calls) fft : 0.02s CPU 0.03s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 199.50s CPU 194.66s WALL ( 1167108 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.01s CPU 0.16s WALL ( 578 calls) Parallel routines fft_scatter : 184.74s CPU 115.83s WALL ( 1167131 calls) PWSCF : 6m10.95s CPU 6m36.14s WALL This run was terminated on: 21:28:48 27Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=