Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:52:39 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NiF3.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 54 34 9 1544 765 116 Max 55 35 10 1549 785 121 Sum 1969 1243 355 55655 27841 4303 bravais-lattice index = 14 lattice parameter (alat) = 9.7285 a.u. unit-cell volume = 582.8838 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 62.00 number of Kohn-Sham states= 74 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)= 9.728498 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.566550 celldm(5)= 0.566550 celldm(6)= 0.566550 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.566550 0.824027 0.000000 ) a(3) = ( 0.566550 0.298013 0.768251 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.687538 -0.470751 ) b(2) = ( 0.000000 1.213552 -0.470751 ) b(3) = ( 0.000000 0.000000 1.301658 ) PseudoPot. # 1 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential F 7.00 18.99840 F( 1.00) Ni 10.00 58.69340 Ni( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 291 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 2) = ( 0.0125000 -0.0085942 -0.0058844), wk = 0.0034364 k( 3) = ( 0.0250000 -0.0171884 -0.0117688), wk = 0.0034364 k( 4) = ( 0.0375000 -0.0257827 -0.0176532), wk = 0.0034364 k( 5) = ( 0.0500000 -0.0343769 -0.0235375), wk = 0.0034364 k( 6) = ( 0.0625000 -0.0429711 -0.0294219), wk = 0.0034364 k( 7) = ( 0.0750000 -0.0515653 -0.0353063), wk = 0.0034364 k( 8) = ( 0.0875000 -0.0601596 -0.0411907), wk = 0.0034364 k( 9) = ( 0.1000000 -0.0687538 -0.0470751), wk = 0.0034364 k( 10) = ( 0.1125000 -0.0773480 -0.0529595), wk = 0.0034364 k( 11) = ( 0.1250000 -0.0859422 -0.0588438), wk = 0.0034364 k( 12) = ( 0.1375000 -0.0945365 -0.0647282), wk = 0.0034364 k( 13) = ( 0.1500000 -0.1031307 -0.0706126), wk = 0.0034364 k( 14) = ( 0.1625000 -0.1117249 -0.0764970), wk = 0.0034364 k( 15) = ( 0.1750000 -0.1203191 -0.0823814), wk = 0.0034364 k( 16) = ( 0.1875000 -0.1289134 -0.0882658), wk = 0.0034364 k( 17) = ( 0.2000000 -0.1375076 -0.0941502), wk = 0.0034364 k( 18) = ( 0.2125000 -0.1461018 -0.1000345), wk = 0.0034364 k( 19) = ( 0.2250000 -0.1546960 -0.1059189), wk = 0.0034364 k( 20) = ( 0.2375000 -0.1632903 -0.1118033), wk = 0.0034364 k( 21) = ( 0.2500000 -0.1718845 -0.1176877), wk = 0.0034364 k( 22) = ( 0.2625000 -0.1804787 -0.1235721), wk = 0.0034364 k( 23) = ( 0.2750000 -0.1890729 -0.1294565), wk = 0.0034364 k( 24) = ( 0.2875000 -0.1976672 -0.1353409), wk = 0.0034364 k( 25) = ( 0.3000000 -0.2062614 -0.1412252), wk = 0.0034364 k( 26) = ( 0.3125000 -0.2148556 -0.1471096), wk = 0.0034364 k( 27) = ( 0.3250000 -0.2234498 -0.1529940), wk = 0.0034364 k( 28) = ( 0.3375000 -0.2320441 -0.1588784), wk = 0.0034364 k( 29) = ( 0.3500000 -0.2406383 -0.1647628), wk = 0.0034364 k( 30) = ( 0.3625000 -0.2492325 -0.1706472), wk = 0.0034364 k( 31) = ( 0.3750000 -0.2578267 -0.1765315), wk = 0.0034364 k( 32) = ( 0.3875000 -0.2664210 -0.1824159), wk = 0.0034364 k( 33) = ( 0.4000000 -0.2750152 -0.1883003), wk = 0.0034364 k( 34) = ( 0.4125000 -0.2836094 -0.1941847), wk = 0.0034364 k( 35) = ( 0.4250000 -0.2922036 -0.2000691), wk = 0.0034364 k( 36) = ( 0.4375000 -0.3007979 -0.2059535), wk = 0.0034364 k( 37) = ( 0.4500000 -0.3093921 -0.2118379), wk = 0.0034364 k( 38) = ( 0.4625000 -0.3179863 -0.2177222), wk = 0.0034364 k( 39) = ( 0.4750000 -0.3265805 -0.2236066), wk = 0.0034364 k( 40) = ( 0.4875000 -0.3351748 -0.2294910), wk = 0.0034364 k( 41) = ( 0.5000000 -0.3437690 -0.2353754), wk = 0.0034364 k( 42) = ( 0.5000000 -0.3437690 -0.2353754), wk = 0.0034364 k( 43) = ( 0.5000000 -0.3345929 -0.2487771), wk = 0.0034364 k( 44) = ( 0.5000000 -0.3254169 -0.2621789), wk = 0.0034364 k( 45) = ( 0.5000000 -0.3162409 -0.2755806), wk = 0.0034364 k( 46) = ( 0.5000000 -0.3070648 -0.2889823), wk = 0.0034364 k( 47) = ( 0.5000000 -0.2978888 -0.3023841), wk = 0.0034364 k( 48) = ( 0.5000000 -0.2887127 -0.3157858), wk = 0.0034364 k( 49) = ( 0.5000000 -0.2795367 -0.3291875), wk = 0.0034364 k( 50) = ( 0.5000000 -0.2703606 -0.3425893), wk = 0.0034364 k( 51) = ( 0.5000000 -0.2611846 -0.3559910), wk = 0.0034364 k( 52) = ( 0.5000000 -0.2520086 -0.3693928), wk = 0.0034364 k( 53) = ( 0.5000000 -0.2428325 -0.3827945), wk = 0.0034364 k( 54) = ( 0.5000000 -0.2336565 -0.3961962), wk = 0.0034364 k( 55) = ( 0.5000000 -0.2244804 -0.4095980), wk = 0.0034364 k( 56) = ( 0.5000000 -0.2153044 -0.4229997), wk = 0.0034364 k( 57) = ( 0.5000000 -0.2061283 -0.4364015), wk = 0.0034364 k( 58) = ( 0.5000000 -0.1969523 -0.4498032), wk = 0.0034364 k( 59) = ( 0.5000000 -0.1877762 -0.4632049), wk = 0.0034364 k( 60) = ( 0.5000000 -0.1786002 -0.4766067), wk = 0.0034364 k( 61) = ( 0.5000000 -0.1694242 -0.4900084), wk = 0.0034364 k( 62) = ( 0.5000000 -0.1602481 -0.5034101), wk = 0.0034364 k( 63) = ( 0.5000000 -0.1510721 -0.5168119), wk = 0.0034364 k( 64) = ( 0.5000000 -0.1418960 -0.5302136), wk = 0.0034364 k( 65) = ( 0.5000000 -0.1327200 -0.5436153), wk = 0.0034364 k( 66) = ( 0.5000000 -0.1235439 -0.5570171), wk = 0.0034364 k( 67) = ( 0.5000000 -0.1143679 -0.5704188), wk = 0.0034364 k( 68) = ( 0.5000000 -0.1051919 -0.5838205), wk = 0.0034364 k( 69) = ( 0.5000000 -0.0960158 -0.5972223), wk = 0.0034364 k( 70) = ( 0.5000000 -0.0868398 -0.6106240), wk = 0.0034364 k( 71) = ( 0.5000000 -0.0776637 -0.6240258), wk = 0.0034364 k( 72) = ( 0.5000000 -0.0684877 -0.6374275), wk = 0.0034364 k( 73) = ( 0.5000000 -0.0593116 -0.6508292), wk = 0.0034364 k( 74) = ( 0.7655994 0.0803974 -0.2906724), wk = 0.0034364 k( 75) = ( 0.7580108 0.0856148 -0.2772223), wk = 0.0034364 k( 76) = ( 0.7504223 0.0908322 -0.2637723), wk = 0.0034364 k( 77) = ( 0.7428337 0.0960496 -0.2503223), wk = 0.0034364 k( 78) = ( 0.7352452 0.1012670 -0.2368723), wk = 0.0034364 k( 79) = ( 0.7276566 0.1064845 -0.2234222), wk = 0.0034364 k( 80) = ( 0.7200681 0.1117019 -0.2099722), wk = 0.0034364 k( 81) = ( 0.7124795 0.1169193 -0.1965222), wk = 0.0034364 k( 82) = ( 0.7048910 0.1221367 -0.1830722), wk = 0.0034364 k( 83) = ( 0.6973024 0.1273541 -0.1696221), wk = 0.0034364 k( 84) = ( 0.6897138 0.1325715 -0.1561721), wk = 0.0034364 k( 85) = ( 0.6821253 0.1377890 -0.1427221), wk = 0.0034364 k( 86) = ( 0.6745367 0.1430064 -0.1292721), wk = 0.0034364 k( 87) = ( 0.6669482 0.1482238 -0.1158221), wk = 0.0034364 k( 88) = ( 0.6593596 0.1534412 -0.1023720), wk = 0.0034364 k( 89) = ( 0.6517711 0.1586586 -0.0889220), wk = 0.0034364 k( 90) = ( 0.6441825 0.1638761 -0.0754720), wk = 0.0034364 k( 91) = ( 0.6365940 0.1690935 -0.0620220), wk = 0.0034364 k( 92) = ( 0.6290054 0.1743109 -0.0485719), wk = 0.0034364 k( 93) = ( 0.6214169 0.1795283 -0.0351219), wk = 0.0034364 k( 94) = ( 0.6138283 0.1847457 -0.0216719), wk = 0.0034364 k( 95) = ( 0.6062397 0.1899632 -0.0082219), wk = 0.0034364 k( 96) = ( 0.5986512 0.1951806 0.0052281), wk = 0.0034364 k( 97) = ( 0.5910626 0.2003980 0.0186782), wk = 0.0034364 k( 98) = ( 0.5834741 0.2056154 0.0321282), wk = 0.0034364 k( 99) = ( 0.5758855 0.2108328 0.0455782), wk = 0.0034364 k( 100) = ( 0.5682970 0.2160503 0.0590282), wk = 0.0034364 k( 101) = ( 0.5607084 0.2212677 0.0724783), wk = 0.0034364 k( 102) = ( 0.5531199 0.2264851 0.0859283), wk = 0.0034364 k( 103) = ( 0.5455313 0.2317025 0.0993783), wk = 0.0034364 k( 104) = ( 0.5379428 0.2369199 0.1128283), wk = 0.0034364 k( 105) = ( 0.5303542 0.2421373 0.1262784), wk = 0.0034364 k( 106) = ( 0.5227657 0.2473548 0.1397284), wk = 0.0034364 k( 107) = ( 0.5151771 0.2525722 0.1531784), wk = 0.0034364 k( 108) = ( 0.5075886 0.2577896 0.1666284), wk = 0.0034364 k( 109) = ( 0.5000000 0.2630070 0.1800784), wk = 0.0034364 k( 110) = ( 0.5000000 0.2630070 0.1800784), wk = 0.0034364 k( 111) = ( 0.4864865 0.2558987 0.1752115), wk = 0.0034364 k( 112) = ( 0.4729730 0.2487904 0.1703445), wk = 0.0034364 k( 113) = ( 0.4594595 0.2416821 0.1654775), wk = 0.0034364 k( 114) = ( 0.4459459 0.2345738 0.1606105), wk = 0.0034364 k( 115) = ( 0.4324324 0.2274655 0.1557435), wk = 0.0034364 k( 116) = ( 0.4189189 0.2203572 0.1508765), wk = 0.0034364 k( 117) = ( 0.4054054 0.2132489 0.1460095), wk = 0.0034364 k( 118) = ( 0.3918919 0.2061406 0.1411426), wk = 0.0034364 k( 119) = ( 0.3783784 0.1990323 0.1362756), wk = 0.0034364 k( 120) = ( 0.3648649 0.1919240 0.1314086), wk = 0.0034364 k( 121) = ( 0.3513514 0.1848157 0.1265416), wk = 0.0034364 k( 122) = ( 0.3378378 0.1777074 0.1216746), wk = 0.0034364 k( 123) = ( 0.3243243 0.1705991 0.1168076), wk = 0.0034364 k( 124) = ( 0.3108108 0.1634908 0.1119407), wk = 0.0034364 k( 125) = ( 0.2972973 0.1563826 0.1070737), wk = 0.0034364 k( 126) = ( 0.2837838 0.1492743 0.1022067), wk = 0.0034364 k( 127) = ( 0.2702703 0.1421660 0.0973397), wk = 0.0034364 k( 128) = ( 0.2567568 0.1350577 0.0924727), wk = 0.0034364 k( 129) = ( 0.2432432 0.1279494 0.0876057), wk = 0.0034364 k( 130) = ( 0.2297297 0.1208411 0.0827387), wk = 0.0034364 k( 131) = ( 0.2162162 0.1137328 0.0778718), wk = 0.0034364 k( 132) = ( 0.2027027 0.1066245 0.0730048), wk = 0.0034364 k( 133) = ( 0.1891892 0.0995162 0.0681378), wk = 0.0034364 k( 134) = ( 0.1756757 0.0924079 0.0632708), wk = 0.0034364 k( 135) = ( 0.1621622 0.0852996 0.0584038), wk = 0.0034364 k( 136) = ( 0.1486486 0.0781913 0.0535368), wk = 0.0034364 k( 137) = ( 0.1351351 0.0710830 0.0486698), wk = 0.0034364 k( 138) = ( 0.1216216 0.0639747 0.0438029), wk = 0.0034364 k( 139) = ( 0.1081081 0.0568664 0.0389359), wk = 0.0034364 k( 140) = ( 0.0945946 0.0497581 0.0340689), wk = 0.0034364 k( 141) = ( 0.0810811 0.0426498 0.0292019), wk = 0.0034364 k( 142) = ( 0.0675676 0.0355415 0.0243349), wk = 0.0034364 k( 143) = ( 0.0540540 0.0284332 0.0194679), wk = 0.0034364 k( 144) = ( 0.0405405 0.0213249 0.0146010), wk = 0.0034364 k( 145) = ( 0.0270270 0.0142166 0.0097340), wk = 0.0034364 k( 146) = ( 0.0135135 0.0071083 0.0048670), wk = 0.0034364 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 149) = ( 0.0074939 -0.0051523 -0.0132822), wk = 0.0034364 k( 150) = ( 0.0149878 -0.0103047 -0.0265645), wk = 0.0034364 k( 151) = ( 0.0224816 -0.0154570 -0.0398467), wk = 0.0034364 k( 152) = ( 0.0299755 -0.0206093 -0.0531289), wk = 0.0034364 k( 153) = ( 0.0374694 -0.0257616 -0.0664111), wk = 0.0034364 k( 154) = ( 0.0449633 -0.0309140 -0.0796934), wk = 0.0034364 k( 155) = ( 0.0524572 -0.0360663 -0.0929756), wk = 0.0034364 k( 156) = ( 0.0599511 -0.0412186 -0.1062578), wk = 0.0034364 k( 157) = ( 0.0674450 -0.0463710 -0.1195401), wk = 0.0034364 k( 158) = ( 0.0749388 -0.0515233 -0.1328223), wk = 0.0034364 k( 159) = ( 0.0824327 -0.0566756 -0.1461045), wk = 0.0034364 k( 160) = ( 0.0899266 -0.0618280 -0.1593868), wk = 0.0034364 k( 161) = ( 0.0974205 -0.0669803 -0.1726690), wk = 0.0034364 k( 162) = ( 0.1049144 -0.0721326 -0.1859512), wk = 0.0034364 k( 163) = ( 0.1124083 -0.0772849 -0.1992334), wk = 0.0034364 k( 164) = ( 0.1199021 -0.0824373 -0.2125157), wk = 0.0034364 k( 165) = ( 0.1273960 -0.0875896 -0.2257979), wk = 0.0034364 k( 166) = ( 0.1348899 -0.0927419 -0.2390801), wk = 0.0034364 k( 167) = ( 0.1423838 -0.0978943 -0.2523623), wk = 0.0034364 k( 168) = ( 0.1498777 -0.1030466 -0.2656446), wk = 0.0034364 k( 169) = ( 0.1573716 -0.1081989 -0.2789268), wk = 0.0034364 k( 170) = ( 0.1648654 -0.1133513 -0.2922091), wk = 0.0034364 k( 171) = ( 0.1723593 -0.1185036 -0.3054913), wk = 0.0034364 k( 172) = ( 0.1798532 -0.1236559 -0.3187735), wk = 0.0034364 k( 173) = ( 0.1873471 -0.1288082 -0.3320557), wk = 0.0034364 k( 174) = ( 0.1948410 -0.1339606 -0.3453380), wk = 0.0034364 k( 175) = ( 0.2023349 -0.1391129 -0.3586202), wk = 0.0034364 k( 176) = ( 0.2098288 -0.1442652 -0.3719024), wk = 0.0034364 k( 177) = ( 0.2173226 -0.1494176 -0.3851846), wk = 0.0034364 k( 178) = ( 0.2248165 -0.1545699 -0.3984669), wk = 0.0034364 k( 179) = ( 0.2323104 -0.1597222 -0.4117491), wk = 0.0034364 k( 180) = ( 0.2398043 -0.1648746 -0.4250313), wk = 0.0034364 k( 181) = ( 0.2472982 -0.1700269 -0.4383136), wk = 0.0034364 k( 182) = ( 0.2547920 -0.1751792 -0.4515958), wk = 0.0034364 k( 183) = ( 0.2622859 -0.1803315 -0.4648780), wk = 0.0034364 k( 184) = ( 0.2697798 -0.1854839 -0.4781603), wk = 0.0034364 k( 185) = ( 0.2772737 -0.1906362 -0.4914425), wk = 0.0034364 k( 186) = ( 0.2847676 -0.1957885 -0.5047247), wk = 0.0034364 k( 187) = ( 0.2922615 -0.2009409 -0.5180069), wk = 0.0034364 k( 188) = ( 0.2997554 -0.2060932 -0.5312892), wk = 0.0034364 k( 189) = ( 0.3072492 -0.2112455 -0.5445714), wk = 0.0034364 k( 190) = ( 0.3147431 -0.2163978 -0.5578536), wk = 0.0034364 k( 191) = ( 0.3222370 -0.2215502 -0.5711359), wk = 0.0034364 k( 192) = ( 0.3297309 -0.2267025 -0.5844181), wk = 0.0034364 k( 193) = ( 0.3372248 -0.2318548 -0.5977003), wk = 0.0034364 k( 194) = ( 0.3447187 -0.2370072 -0.6109825), wk = 0.0034364 k( 195) = ( 0.3522125 -0.2421595 -0.6242648), wk = 0.0034364 k( 196) = ( 0.3597064 -0.2473118 -0.6375470), wk = 0.0034364 k( 197) = ( 0.3672003 -0.2524642 -0.6508292), wk = 0.0034364 k( 198) = ( 0.6327997 0.0105429 -0.4707508), wk = 0.0034364 k( 199) = ( 0.6254219 0.0245686 -0.4707508), wk = 0.0034364 k( 200) = ( 0.6180442 0.0385944 -0.4707508), wk = 0.0034364 k( 201) = ( 0.6106664 0.0526202 -0.4707508), wk = 0.0034364 k( 202) = ( 0.6032886 0.0666460 -0.4707508), wk = 0.0034364 k( 203) = ( 0.5959109 0.0806718 -0.4707508), wk = 0.0034364 k( 204) = ( 0.5885331 0.0946976 -0.4707508), wk = 0.0034364 k( 205) = ( 0.5811554 0.1087234 -0.4707508), wk = 0.0034364 k( 206) = ( 0.5737776 0.1227492 -0.4707508), wk = 0.0034364 k( 207) = ( 0.5663998 0.1367749 -0.4707508), wk = 0.0034364 k( 208) = ( 0.5590221 0.1508007 -0.4707508), wk = 0.0034364 k( 209) = ( 0.5516443 0.1648265 -0.4707508), wk = 0.0034364 k( 210) = ( 0.5442666 0.1788523 -0.4707508), wk = 0.0034364 k( 211) = ( 0.5368888 0.1928781 -0.4707508), wk = 0.0034364 k( 212) = ( 0.5295110 0.2069039 -0.4707508), wk = 0.0034364 k( 213) = ( 0.5221333 0.2209297 -0.4707508), wk = 0.0034364 k( 214) = ( 0.5147555 0.2349554 -0.4707508), wk = 0.0034364 k( 215) = ( 0.5073778 0.2489812 -0.4707508), wk = 0.0034364 k( 216) = ( 0.5000000 0.2630070 -0.4707508), wk = 0.0034364 k( 217) = ( 0.5000000 0.2630070 -0.4707508), wk = 0.0034364 k( 218) = ( 0.5088533 0.2676640 -0.4587456), wk = 0.0034364 k( 219) = ( 0.5177066 0.2723210 -0.4467403), wk = 0.0034364 k( 220) = ( 0.5265599 0.2769779 -0.4347351), wk = 0.0034364 k( 221) = ( 0.5354132 0.2816349 -0.4227299), wk = 0.0034364 k( 222) = ( 0.5442666 0.2862918 -0.4107246), wk = 0.0034364 k( 223) = ( 0.5531199 0.2909488 -0.3987194), wk = 0.0034364 k( 224) = ( 0.5619732 0.2956058 -0.3867142), wk = 0.0034364 k( 225) = ( 0.5708265 0.3002628 -0.3747090), wk = 0.0034364 k( 226) = ( 0.5796798 0.3049197 -0.3627037), wk = 0.0034364 k( 227) = ( 0.5885331 0.3095767 -0.3506985), wk = 0.0034364 k( 228) = ( 0.5973864 0.3142337 -0.3386933), wk = 0.0034364 k( 229) = ( 0.6062397 0.3188906 -0.3266880), wk = 0.0034364 k( 230) = ( 0.6150931 0.3235476 -0.3146828), wk = 0.0034364 k( 231) = ( 0.6239464 0.3282046 -0.3026776), wk = 0.0034364 k( 232) = ( 0.6327997 0.3328615 -0.2906724), wk = 0.0034364 k( 233) = ( 0.6327997 0.3328615 -0.2906724), wk = 0.0034364 k( 234) = ( 0.6285158 0.3306081 -0.2754868), wk = 0.0034364 k( 235) = ( 0.6242320 0.3283548 -0.2603013), wk = 0.0034364 k( 236) = ( 0.6199481 0.3261014 -0.2451158), wk = 0.0034364 k( 237) = ( 0.6156642 0.3238480 -0.2299303), wk = 0.0034364 k( 238) = ( 0.6113804 0.3215947 -0.2147448), wk = 0.0034364 k( 239) = ( 0.6070965 0.3193413 -0.1995593), wk = 0.0034364 k( 240) = ( 0.6028127 0.3170879 -0.1843738), wk = 0.0034364 k( 241) = ( 0.5985288 0.3148345 -0.1691883), wk = 0.0034364 k( 242) = ( 0.5942449 0.3125812 -0.1540028), wk = 0.0034364 k( 243) = ( 0.5899611 0.3103278 -0.1388173), wk = 0.0034364 k( 244) = ( 0.5856772 0.3080744 -0.1236318), wk = 0.0034364 k( 245) = ( 0.5813934 0.3058211 -0.1084462), wk = 0.0034364 k( 246) = ( 0.5771095 0.3035677 -0.0932607), wk = 0.0034364 k( 247) = ( 0.5728256 0.3013143 -0.0780752), wk = 0.0034364 k( 248) = ( 0.5685418 0.2990609 -0.0628897), wk = 0.0034364 k( 249) = ( 0.5642579 0.2968076 -0.0477042), wk = 0.0034364 k( 250) = ( 0.5599741 0.2945542 -0.0325187), wk = 0.0034364 k( 251) = ( 0.5556902 0.2923008 -0.0173332), wk = 0.0034364 k( 252) = ( 0.5514063 0.2900475 -0.0021477), wk = 0.0034364 k( 253) = ( 0.5471225 0.2877941 0.0130378), wk = 0.0034364 k( 254) = ( 0.5428386 0.2855407 0.0282233), wk = 0.0034364 k( 255) = ( 0.5385547 0.2832874 0.0434088), wk = 0.0034364 k( 256) = ( 0.5342709 0.2810340 0.0585944), wk = 0.0034364 k( 257) = ( 0.5299870 0.2787806 0.0737799), wk = 0.0034364 k( 258) = ( 0.5257032 0.2765272 0.0889654), wk = 0.0034364 k( 259) = ( 0.5214193 0.2742739 0.1041509), wk = 0.0034364 k( 260) = ( 0.5171354 0.2720205 0.1193364), wk = 0.0034364 k( 261) = ( 0.5128516 0.2697671 0.1345219), wk = 0.0034364 k( 262) = ( 0.5085677 0.2675138 0.1497074), wk = 0.0034364 k( 263) = ( 0.5042839 0.2652604 0.1648929), wk = 0.0034364 k( 264) = ( 0.5000000 0.2630070 0.1800784), wk = 0.0034364 k( 265) = ( 0.5000000 -0.3437690 -0.2353754), wk = 0.0034364 k( 266) = ( 0.5102154 -0.3336533 -0.2284493), wk = 0.0034364 k( 267) = ( 0.5204307 -0.3235377 -0.2215232), wk = 0.0034364 k( 268) = ( 0.5306461 -0.3134220 -0.2145971), wk = 0.0034364 k( 269) = ( 0.5408614 -0.3033064 -0.2076710), wk = 0.0034364 k( 270) = ( 0.5510768 -0.2931907 -0.2007449), wk = 0.0034364 k( 271) = ( 0.5612922 -0.2830751 -0.1938188), wk = 0.0034364 k( 272) = ( 0.5715075 -0.2729594 -0.1868927), wk = 0.0034364 k( 273) = ( 0.5817229 -0.2628438 -0.1799667), wk = 0.0034364 k( 274) = ( 0.5919382 -0.2527281 -0.1730406), wk = 0.0034364 k( 275) = ( 0.6021536 -0.2426124 -0.1661145), wk = 0.0034364 k( 276) = ( 0.6123690 -0.2324968 -0.1591884), wk = 0.0034364 k( 277) = ( 0.6225843 -0.2223811 -0.1522623), wk = 0.0034364 k( 278) = ( 0.6327997 -0.2122655 -0.1453362), wk = 0.0034364 k( 279) = ( 0.6430151 -0.2021498 -0.1384101), wk = 0.0034364 k( 280) = ( 0.6532304 -0.1920342 -0.1314840), wk = 0.0034364 k( 281) = ( 0.6634458 -0.1819185 -0.1245579), wk = 0.0034364 k( 282) = ( 0.6736611 -0.1718029 -0.1176318), wk = 0.0034364 k( 283) = ( 0.6838765 -0.1616872 -0.1107057), wk = 0.0034364 k( 284) = ( 0.6940918 -0.1515715 -0.1037796), wk = 0.0034364 k( 285) = ( 0.7043072 -0.1414559 -0.0968535), wk = 0.0034364 k( 286) = ( 0.7145226 -0.1313402 -0.0899274), wk = 0.0034364 k( 287) = ( 0.7247379 -0.1212246 -0.0830013), wk = 0.0034364 k( 288) = ( 0.7349533 -0.1111089 -0.0760752), wk = 0.0034364 k( 289) = ( 0.7451687 -0.1009933 -0.0691492), wk = 0.0034364 k( 290) = ( 0.7553840 -0.0908776 -0.0622231), wk = 0.0034364 k( 291) = ( 0.7655994 -0.0807620 -0.0552970), wk = 0.0034364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 2) = ( 0.0125000 -0.0000000 -0.0000000), wk = 0.0034364 k( 3) = ( 0.0250000 -0.0000000 -0.0000000), wk = 0.0034364 k( 4) = ( 0.0375000 -0.0000000 -0.0000000), wk = 0.0034364 k( 5) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0034364 k( 6) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0034364 k( 7) = ( 0.0750000 -0.0000000 -0.0000000), wk = 0.0034364 k( 8) = ( 0.0875000 -0.0000000 -0.0000000), wk = 0.0034364 k( 9) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0034364 k( 10) = ( 0.1125000 -0.0000000 -0.0000000), wk = 0.0034364 k( 11) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0034364 k( 12) = ( 0.1375000 0.0000000 0.0000000), wk = 0.0034364 k( 13) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0034364 k( 14) = ( 0.1625000 0.0000000 0.0000000), wk = 0.0034364 k( 15) = ( 0.1750000 -0.0000000 -0.0000000), wk = 0.0034364 k( 16) = ( 0.1875000 0.0000000 -0.0000000), wk = 0.0034364 k( 17) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0034364 k( 18) = ( 0.2125000 -0.0000000 -0.0000000), wk = 0.0034364 k( 19) = ( 0.2250000 -0.0000000 -0.0000000), wk = 0.0034364 k( 20) = ( 0.2375000 -0.0000000 -0.0000000), wk = 0.0034364 k( 21) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0034364 k( 22) = ( 0.2625000 0.0000000 -0.0000000), wk = 0.0034364 k( 23) = ( 0.2750000 0.0000000 0.0000000), wk = 0.0034364 k( 24) = ( 0.2875000 -0.0000000 -0.0000000), wk = 0.0034364 k( 25) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0034364 k( 26) = ( 0.3125000 0.0000000 -0.0000000), wk = 0.0034364 k( 27) = ( 0.3250000 0.0000000 0.0000000), wk = 0.0034364 k( 28) = ( 0.3375000 0.0000000 -0.0000000), wk = 0.0034364 k( 29) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0034364 k( 30) = ( 0.3625000 -0.0000000 -0.0000000), wk = 0.0034364 k( 31) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0034364 k( 32) = ( 0.3875000 0.0000000 -0.0000000), wk = 0.0034364 k( 33) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0034364 k( 34) = ( 0.4125000 0.0000000 0.0000000), wk = 0.0034364 k( 35) = ( 0.4250000 -0.0000000 -0.0000000), wk = 0.0034364 k( 36) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0034364 k( 37) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0034364 k( 38) = ( 0.4625000 0.0000000 -0.0000000), wk = 0.0034364 k( 39) = ( 0.4750000 -0.0000000 -0.0000000), wk = 0.0034364 k( 40) = ( 0.4875000 -0.0000000 -0.0000000), wk = 0.0034364 k( 41) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034364 k( 42) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034364 k( 43) = ( 0.5000000 0.0075613 -0.0075613), wk = 0.0034364 k( 44) = ( 0.5000000 0.0151226 -0.0151226), wk = 0.0034364 k( 45) = ( 0.5000000 0.0226839 -0.0226839), wk = 0.0034364 k( 46) = ( 0.5000000 0.0302452 -0.0302452), wk = 0.0034364 k( 47) = ( 0.5000000 0.0378065 -0.0378066), wk = 0.0034364 k( 48) = ( 0.5000000 0.0453679 -0.0453679), wk = 0.0034364 k( 49) = ( 0.5000000 0.0529292 -0.0529292), wk = 0.0034364 k( 50) = ( 0.5000000 0.0604905 -0.0604905), wk = 0.0034364 k( 51) = ( 0.5000000 0.0680518 -0.0680518), wk = 0.0034364 k( 52) = ( 0.5000000 0.0756131 -0.0756131), wk = 0.0034364 k( 53) = ( 0.5000000 0.0831744 -0.0831744), wk = 0.0034364 k( 54) = ( 0.5000000 0.0907357 -0.0907357), wk = 0.0034364 k( 55) = ( 0.5000000 0.0982970 -0.0982970), wk = 0.0034364 k( 56) = ( 0.5000000 0.1058583 -0.1058584), wk = 0.0034364 k( 57) = ( 0.5000000 0.1134197 -0.1134197), wk = 0.0034364 k( 58) = ( 0.5000000 0.1209810 -0.1209810), wk = 0.0034364 k( 59) = ( 0.5000000 0.1285423 -0.1285423), wk = 0.0034364 k( 60) = ( 0.5000000 0.1361036 -0.1361036), wk = 0.0034364 k( 61) = ( 0.5000000 0.1436649 -0.1436649), wk = 0.0034364 k( 62) = ( 0.5000000 0.1512262 -0.1512262), wk = 0.0034364 k( 63) = ( 0.5000000 0.1587875 -0.1587875), wk = 0.0034364 k( 64) = ( 0.5000000 0.1663488 -0.1663488), wk = 0.0034364 k( 65) = ( 0.5000000 0.1739101 -0.1739101), wk = 0.0034364 k( 66) = ( 0.5000000 0.1814715 -0.1814715), wk = 0.0034364 k( 67) = ( 0.5000000 0.1890328 -0.1890328), wk = 0.0034364 k( 68) = ( 0.5000000 0.1965941 -0.1965941), wk = 0.0034364 k( 69) = ( 0.5000000 0.2041554 -0.2041554), wk = 0.0034364 k( 70) = ( 0.5000000 0.2117167 -0.2117167), wk = 0.0034364 k( 71) = ( 0.5000000 0.2192780 -0.2192780), wk = 0.0034364 k( 72) = ( 0.5000000 0.2268393 -0.2268393), wk = 0.0034364 k( 73) = ( 0.5000000 0.2344006 -0.2344006), wk = 0.0034364 k( 74) = ( 0.7655994 0.5000000 0.2344006), wk = 0.0034364 k( 75) = ( 0.7580108 0.5000000 0.2419892), wk = 0.0034364 k( 76) = ( 0.7504223 0.5000000 0.2495777), wk = 0.0034364 k( 77) = ( 0.7428337 0.5000000 0.2571663), wk = 0.0034364 k( 78) = ( 0.7352452 0.5000000 0.2647548), wk = 0.0034364 k( 79) = ( 0.7276566 0.5000000 0.2723434), wk = 0.0034364 k( 80) = ( 0.7200681 0.5000000 0.2799319), wk = 0.0034364 k( 81) = ( 0.7124795 0.5000000 0.2875205), wk = 0.0034364 k( 82) = ( 0.7048910 0.5000000 0.2951090), wk = 0.0034364 k( 83) = ( 0.6973024 0.5000000 0.3026976), wk = 0.0034364 k( 84) = ( 0.6897138 0.5000000 0.3102862), wk = 0.0034364 k( 85) = ( 0.6821253 0.5000000 0.3178747), wk = 0.0034364 k( 86) = ( 0.6745367 0.5000000 0.3254633), wk = 0.0034364 k( 87) = ( 0.6669482 0.5000000 0.3330518), wk = 0.0034364 k( 88) = ( 0.6593596 0.5000000 0.3406404), wk = 0.0034364 k( 89) = ( 0.6517711 0.5000000 0.3482289), wk = 0.0034364 k( 90) = ( 0.6441825 0.5000000 0.3558175), wk = 0.0034364 k( 91) = ( 0.6365940 0.5000000 0.3634060), wk = 0.0034364 k( 92) = ( 0.6290054 0.5000000 0.3709946), wk = 0.0034364 k( 93) = ( 0.6214169 0.5000000 0.3785831), wk = 0.0034364 k( 94) = ( 0.6138283 0.5000000 0.3861717), wk = 0.0034364 k( 95) = ( 0.6062397 0.5000000 0.3937602), wk = 0.0034364 k( 96) = ( 0.5986512 0.5000000 0.4013488), wk = 0.0034364 k( 97) = ( 0.5910626 0.5000000 0.4089374), wk = 0.0034364 k( 98) = ( 0.5834741 0.5000000 0.4165259), wk = 0.0034364 k( 99) = ( 0.5758855 0.5000000 0.4241145), wk = 0.0034364 k( 100) = ( 0.5682970 0.5000000 0.4317030), wk = 0.0034364 k( 101) = ( 0.5607084 0.5000000 0.4392916), wk = 0.0034364 k( 102) = ( 0.5531199 0.5000000 0.4468801), wk = 0.0034364 k( 103) = ( 0.5455313 0.5000000 0.4544687), wk = 0.0034364 k( 104) = ( 0.5379428 0.5000000 0.4620572), wk = 0.0034364 k( 105) = ( 0.5303542 0.5000000 0.4696458), wk = 0.0034364 k( 106) = ( 0.5227657 0.5000000 0.4772343), wk = 0.0034364 k( 107) = ( 0.5151771 0.5000000 0.4848229), wk = 0.0034364 k( 108) = ( 0.5075886 0.5000000 0.4924114), wk = 0.0034364 k( 109) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 110) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 111) = ( 0.4864865 0.4864865 0.4864865), wk = 0.0034364 k( 112) = ( 0.4729730 0.4729730 0.4729730), wk = 0.0034364 k( 113) = ( 0.4594595 0.4594595 0.4594595), wk = 0.0034364 k( 114) = ( 0.4459459 0.4459460 0.4459460), wk = 0.0034364 k( 115) = ( 0.4324324 0.4324324 0.4324324), wk = 0.0034364 k( 116) = ( 0.4189189 0.4189189 0.4189189), wk = 0.0034364 k( 117) = ( 0.4054054 0.4054054 0.4054054), wk = 0.0034364 k( 118) = ( 0.3918919 0.3918919 0.3918919), wk = 0.0034364 k( 119) = ( 0.3783784 0.3783784 0.3783784), wk = 0.0034364 k( 120) = ( 0.3648649 0.3648649 0.3648649), wk = 0.0034364 k( 121) = ( 0.3513514 0.3513513 0.3513514), wk = 0.0034364 k( 122) = ( 0.3378378 0.3378378 0.3378378), wk = 0.0034364 k( 123) = ( 0.3243243 0.3243243 0.3243243), wk = 0.0034364 k( 124) = ( 0.3108108 0.3108108 0.3108108), wk = 0.0034364 k( 125) = ( 0.2972973 0.2972973 0.2972973), wk = 0.0034364 k( 126) = ( 0.2837838 0.2837838 0.2837838), wk = 0.0034364 k( 127) = ( 0.2702703 0.2702703 0.2702703), wk = 0.0034364 k( 128) = ( 0.2567568 0.2567568 0.2567568), wk = 0.0034364 k( 129) = ( 0.2432432 0.2432432 0.2432432), wk = 0.0034364 k( 130) = ( 0.2297297 0.2297297 0.2297297), wk = 0.0034364 k( 131) = ( 0.2162162 0.2162162 0.2162162), wk = 0.0034364 k( 132) = ( 0.2027027 0.2027027 0.2027027), wk = 0.0034364 k( 133) = ( 0.1891892 0.1891892 0.1891892), wk = 0.0034364 k( 134) = ( 0.1756757 0.1756757 0.1756757), wk = 0.0034364 k( 135) = ( 0.1621622 0.1621622 0.1621622), wk = 0.0034364 k( 136) = ( 0.1486486 0.1486486 0.1486486), wk = 0.0034364 k( 137) = ( 0.1351351 0.1351351 0.1351351), wk = 0.0034364 k( 138) = ( 0.1216216 0.1216216 0.1216216), wk = 0.0034364 k( 139) = ( 0.1081081 0.1081081 0.1081081), wk = 0.0034364 k( 140) = ( 0.0945946 0.0945946 0.0945946), wk = 0.0034364 k( 141) = ( 0.0810811 0.0810811 0.0810811), wk = 0.0034364 k( 142) = ( 0.0675676 0.0675676 0.0675676), wk = 0.0034364 k( 143) = ( 0.0540540 0.0540541 0.0540541), wk = 0.0034364 k( 144) = ( 0.0405405 0.0405405 0.0405405), wk = 0.0034364 k( 145) = ( 0.0270270 0.0270270 0.0270270), wk = 0.0034364 k( 146) = ( 0.0135135 0.0135135 0.0135135), wk = 0.0034364 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 149) = ( 0.0074939 -0.0000000 -0.0074939), wk = 0.0034364 k( 150) = ( 0.0149878 -0.0000000 -0.0149878), wk = 0.0034364 k( 151) = ( 0.0224816 0.0000000 -0.0224816), wk = 0.0034364 k( 152) = ( 0.0299755 -0.0000000 -0.0299755), wk = 0.0034364 k( 153) = ( 0.0374694 0.0000000 -0.0374694), wk = 0.0034364 k( 154) = ( 0.0449633 0.0000000 -0.0449633), wk = 0.0034364 k( 155) = ( 0.0524572 0.0000000 -0.0524572), wk = 0.0034364 k( 156) = ( 0.0599511 0.0000000 -0.0599511), wk = 0.0034364 k( 157) = ( 0.0674450 -0.0000000 -0.0674450), wk = 0.0034364 k( 158) = ( 0.0749388 0.0000000 -0.0749388), wk = 0.0034364 k( 159) = ( 0.0824327 -0.0000000 -0.0824327), wk = 0.0034364 k( 160) = ( 0.0899266 0.0000000 -0.0899266), wk = 0.0034364 k( 161) = ( 0.0974205 0.0000000 -0.0974205), wk = 0.0034364 k( 162) = ( 0.1049144 -0.0000000 -0.1049144), wk = 0.0034364 k( 163) = ( 0.1124083 0.0000000 -0.1124083), wk = 0.0034364 k( 164) = ( 0.1199021 0.0000000 -0.1199021), wk = 0.0034364 k( 165) = ( 0.1273960 -0.0000000 -0.1273960), wk = 0.0034364 k( 166) = ( 0.1348899 -0.0000000 -0.1348899), wk = 0.0034364 k( 167) = ( 0.1423838 0.0000000 -0.1423838), wk = 0.0034364 k( 168) = ( 0.1498777 0.0000000 -0.1498777), wk = 0.0034364 k( 169) = ( 0.1573716 0.0000000 -0.1573716), wk = 0.0034364 k( 170) = ( 0.1648654 0.0000000 -0.1648655), wk = 0.0034364 k( 171) = ( 0.1723593 0.0000000 -0.1723593), wk = 0.0034364 k( 172) = ( 0.1798532 0.0000000 -0.1798532), wk = 0.0034364 k( 173) = ( 0.1873471 0.0000000 -0.1873471), wk = 0.0034364 k( 174) = ( 0.1948410 0.0000000 -0.1948410), wk = 0.0034364 k( 175) = ( 0.2023349 -0.0000000 -0.2023349), wk = 0.0034364 k( 176) = ( 0.2098288 0.0000000 -0.2098288), wk = 0.0034364 k( 177) = ( 0.2173226 0.0000000 -0.2173226), wk = 0.0034364 k( 178) = ( 0.2248165 0.0000000 -0.2248165), wk = 0.0034364 k( 179) = ( 0.2323104 -0.0000000 -0.2323104), wk = 0.0034364 k( 180) = ( 0.2398043 0.0000000 -0.2398043), wk = 0.0034364 k( 181) = ( 0.2472982 -0.0000000 -0.2472982), wk = 0.0034364 k( 182) = ( 0.2547920 0.0000000 -0.2547920), wk = 0.0034364 k( 183) = ( 0.2622859 -0.0000000 -0.2622859), wk = 0.0034364 k( 184) = ( 0.2697798 -0.0000000 -0.2697798), wk = 0.0034364 k( 185) = ( 0.2772737 -0.0000000 -0.2772737), wk = 0.0034364 k( 186) = ( 0.2847676 -0.0000000 -0.2847676), wk = 0.0034364 k( 187) = ( 0.2922615 -0.0000000 -0.2922615), wk = 0.0034364 k( 188) = ( 0.2997554 0.0000000 -0.2997554), wk = 0.0034364 k( 189) = ( 0.3072492 -0.0000000 -0.3072492), wk = 0.0034364 k( 190) = ( 0.3147431 0.0000000 -0.3147431), wk = 0.0034364 k( 191) = ( 0.3222370 -0.0000000 -0.3222370), wk = 0.0034364 k( 192) = ( 0.3297309 0.0000000 -0.3297309), wk = 0.0034364 k( 193) = ( 0.3372248 -0.0000000 -0.3372248), wk = 0.0034364 k( 194) = ( 0.3447187 0.0000000 -0.3447187), wk = 0.0034364 k( 195) = ( 0.3522125 -0.0000000 -0.3522125), wk = 0.0034364 k( 196) = ( 0.3597064 -0.0000000 -0.3597064), wk = 0.0034364 k( 197) = ( 0.3672003 0.0000000 -0.3672003), wk = 0.0034364 k( 198) = ( 0.6327997 0.3672003 -0.0000000), wk = 0.0034364 k( 199) = ( 0.6254219 0.3745781 -0.0000000), wk = 0.0034364 k( 200) = ( 0.6180442 0.3819558 -0.0000000), wk = 0.0034364 k( 201) = ( 0.6106664 0.3893336 -0.0000000), wk = 0.0034364 k( 202) = ( 0.6032886 0.3967114 -0.0000000), wk = 0.0034364 k( 203) = ( 0.5959109 0.4040891 -0.0000000), wk = 0.0034364 k( 204) = ( 0.5885331 0.4114669 -0.0000000), wk = 0.0034364 k( 205) = ( 0.5811554 0.4188446 -0.0000000), wk = 0.0034364 k( 206) = ( 0.5737776 0.4262224 -0.0000000), wk = 0.0034364 k( 207) = ( 0.5663998 0.4336002 -0.0000000), wk = 0.0034364 k( 208) = ( 0.5590221 0.4409779 -0.0000000), wk = 0.0034364 k( 209) = ( 0.5516443 0.4483557 -0.0000000), wk = 0.0034364 k( 210) = ( 0.5442666 0.4557334 -0.0000000), wk = 0.0034364 k( 211) = ( 0.5368888 0.4631112 -0.0000000), wk = 0.0034364 k( 212) = ( 0.5295110 0.4704890 -0.0000000), wk = 0.0034364 k( 213) = ( 0.5221333 0.4778667 -0.0000000), wk = 0.0034364 k( 214) = ( 0.5147555 0.4852445 -0.0000000), wk = 0.0034364 k( 215) = ( 0.5073778 0.4926222 -0.0000000), wk = 0.0034364 k( 216) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034364 k( 217) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034364 k( 218) = ( 0.5088533 0.5088533 0.0156267), wk = 0.0034364 k( 219) = ( 0.5177066 0.5177066 0.0312534), wk = 0.0034364 k( 220) = ( 0.5265599 0.5265599 0.0468801), wk = 0.0034364 k( 221) = ( 0.5354132 0.5354132 0.0625068), wk = 0.0034364 k( 222) = ( 0.5442666 0.5442666 0.0781335), wk = 0.0034364 k( 223) = ( 0.5531199 0.5531199 0.0937603), wk = 0.0034364 k( 224) = ( 0.5619732 0.5619732 0.1093870), wk = 0.0034364 k( 225) = ( 0.5708265 0.5708265 0.1250137), wk = 0.0034364 k( 226) = ( 0.5796798 0.5796798 0.1406404), wk = 0.0034364 k( 227) = ( 0.5885331 0.5885331 0.1562671), wk = 0.0034364 k( 228) = ( 0.5973864 0.5973864 0.1718938), wk = 0.0034364 k( 229) = ( 0.6062397 0.6062397 0.1875205), wk = 0.0034364 k( 230) = ( 0.6150931 0.6150931 0.2031472), wk = 0.0034364 k( 231) = ( 0.6239464 0.6239464 0.2187739), wk = 0.0034364 k( 232) = ( 0.6327997 0.6327997 0.2344006), wk = 0.0034364 k( 233) = ( 0.6327997 0.6327997 0.2344006), wk = 0.0034364 k( 234) = ( 0.6285158 0.6285158 0.2429683), wk = 0.0034364 k( 235) = ( 0.6242320 0.6242320 0.2515361), wk = 0.0034364 k( 236) = ( 0.6199481 0.6199481 0.2601038), wk = 0.0034364 k( 237) = ( 0.6156642 0.6156642 0.2686715), wk = 0.0034364 k( 238) = ( 0.6113804 0.6113804 0.2772392), wk = 0.0034364 k( 239) = ( 0.6070965 0.6070965 0.2858069), wk = 0.0034364 k( 240) = ( 0.6028127 0.6028127 0.2943747), wk = 0.0034364 k( 241) = ( 0.5985288 0.5985288 0.3029424), wk = 0.0034364 k( 242) = ( 0.5942449 0.5942449 0.3115101), wk = 0.0034364 k( 243) = ( 0.5899611 0.5899611 0.3200778), wk = 0.0034364 k( 244) = ( 0.5856772 0.5856772 0.3286456), wk = 0.0034364 k( 245) = ( 0.5813934 0.5813934 0.3372133), wk = 0.0034364 k( 246) = ( 0.5771095 0.5771095 0.3457810), wk = 0.0034364 k( 247) = ( 0.5728256 0.5728256 0.3543487), wk = 0.0034364 k( 248) = ( 0.5685418 0.5685418 0.3629165), wk = 0.0034364 k( 249) = ( 0.5642579 0.5642579 0.3714842), wk = 0.0034364 k( 250) = ( 0.5599741 0.5599741 0.3800519), wk = 0.0034364 k( 251) = ( 0.5556902 0.5556902 0.3886196), wk = 0.0034364 k( 252) = ( 0.5514063 0.5514063 0.3971873), wk = 0.0034364 k( 253) = ( 0.5471225 0.5471225 0.4057551), wk = 0.0034364 k( 254) = ( 0.5428386 0.5428386 0.4143228), wk = 0.0034364 k( 255) = ( 0.5385547 0.5385547 0.4228905), wk = 0.0034364 k( 256) = ( 0.5342709 0.5342709 0.4314582), wk = 0.0034364 k( 257) = ( 0.5299870 0.5299870 0.4400260), wk = 0.0034364 k( 258) = ( 0.5257032 0.5257032 0.4485937), wk = 0.0034364 k( 259) = ( 0.5214193 0.5214193 0.4571614), wk = 0.0034364 k( 260) = ( 0.5171354 0.5171354 0.4657291), wk = 0.0034364 k( 261) = ( 0.5128516 0.5128516 0.4742968), wk = 0.0034364 k( 262) = ( 0.5085677 0.5085677 0.4828646), wk = 0.0034364 k( 263) = ( 0.5042839 0.5042839 0.4914323), wk = 0.0034364 k( 264) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 265) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034364 k( 266) = ( 0.5102154 0.0141231 0.0141231), wk = 0.0034364 k( 267) = ( 0.5204307 0.0282462 0.0282462), wk = 0.0034364 k( 268) = ( 0.5306461 0.0423693 0.0423693), wk = 0.0034364 k( 269) = ( 0.5408614 0.0564924 0.0564924), wk = 0.0034364 k( 270) = ( 0.5510768 0.0706154 0.0706154), wk = 0.0034364 k( 271) = ( 0.5612922 0.0847385 0.0847385), wk = 0.0034364 k( 272) = ( 0.5715075 0.0988616 0.0988616), wk = 0.0034364 k( 273) = ( 0.5817229 0.1129847 0.1129847), wk = 0.0034364 k( 274) = ( 0.5919382 0.1271078 0.1271078), wk = 0.0034364 k( 275) = ( 0.6021536 0.1412309 0.1412309), wk = 0.0034364 k( 276) = ( 0.6123690 0.1553540 0.1553540), wk = 0.0034364 k( 277) = ( 0.6225843 0.1694771 0.1694771), wk = 0.0034364 k( 278) = ( 0.6327997 0.1836002 0.1836002), wk = 0.0034364 k( 279) = ( 0.6430151 0.1977232 0.1977232), wk = 0.0034364 k( 280) = ( 0.6532304 0.2118463 0.2118463), wk = 0.0034364 k( 281) = ( 0.6634458 0.2259694 0.2259694), wk = 0.0034364 k( 282) = ( 0.6736611 0.2400925 0.2400925), wk = 0.0034364 k( 283) = ( 0.6838765 0.2542156 0.2542156), wk = 0.0034364 k( 284) = ( 0.6940918 0.2683387 0.2683387), wk = 0.0034364 k( 285) = ( 0.7043072 0.2824618 0.2824618), wk = 0.0034364 k( 286) = ( 0.7145226 0.2965849 0.2965849), wk = 0.0034364 k( 287) = ( 0.7247379 0.3107080 0.3107080), wk = 0.0034364 k( 288) = ( 0.7349533 0.3248310 0.3248310), wk = 0.0034364 k( 289) = ( 0.7451687 0.3389541 0.3389541), wk = 0.0034364 k( 290) = ( 0.7553840 0.3530772 0.3530772), wk = 0.0034364 k( 291) = ( 0.7655994 0.3672003 0.3672003), wk = 0.0034364 Dense grid: 55655 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 27841 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 194, 74) NL pseudopotentials 0.22 Mb ( 97, 152) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1545) G-vector shells 0.01 Mb ( 1291) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.88 Mb ( 194, 296) Each subspace H/S matrix 0.08 Mb ( 74, 74) Each matrix 0.34 Mb ( 152, 2, 74) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./NiF3.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 4.1 secs Computing kpt #: 4 total cpu time spent up to now is 4.7 secs Computing kpt #: 5 total cpu time spent up to now is 5.5 secs Computing kpt #: 6 total cpu time spent up to now is 6.2 secs Computing kpt #: 7 total cpu time spent up to now is 6.9 secs Computing kpt #: 8 total cpu time spent up to now is 7.6 secs Computing kpt #: 9 total cpu time spent up to now is 8.3 secs Computing kpt #: 10 total cpu time spent up to now is 8.9 secs Computing kpt #: 11 total cpu time spent up to now is 9.6 secs Computing kpt #: 12 total cpu time spent up to now is 10.3 secs Computing kpt #: 13 total cpu time spent up to now is 10.9 secs Computing kpt #: 14 total cpu time spent up to now is 11.5 secs Computing kpt #: 15 total cpu time spent up to now is 12.0 secs Computing kpt #: 16 total cpu time spent up to now is 12.6 secs Computing kpt #: 17 total cpu time spent up to now is 13.2 secs Computing kpt #: 18 total cpu time spent up to now is 13.8 secs Computing kpt #: 19 total cpu time spent up to now is 14.5 secs Computing kpt #: 20 total cpu time spent up to now is 15.2 secs Computing kpt #: 21 total cpu time spent up to now is 15.9 secs Computing kpt #: 22 total cpu time spent up to now is 16.7 secs Computing kpt #: 23 total cpu time spent up to now is 17.4 secs Computing kpt #: 24 total cpu time spent up to now is 18.1 secs Computing kpt #: 25 total cpu time spent up to now is 18.8 secs Computing kpt #: 26 total cpu time spent up to now is 19.5 secs Computing kpt #: 27 total cpu time spent up to now is 20.2 secs Computing kpt #: 28 total cpu time spent up to now is 20.9 secs Computing kpt #: 29 total cpu time spent up to now is 21.7 secs Computing kpt #: 30 total cpu time spent up to now is 22.4 secs Computing kpt #: 31 total cpu time spent up to now is 23.1 secs Computing kpt #: 32 total cpu time spent up to now is 23.9 secs Computing kpt #: 33 total cpu time spent up to now is 24.6 secs Computing kpt #: 34 total cpu time spent up to now is 25.4 secs Computing kpt #: 35 total cpu time spent up to now is 26.2 secs Computing kpt #: 36 total cpu time spent up to now is 26.9 secs Computing kpt #: 37 total cpu time spent up to now is 27.8 secs Computing kpt #: 38 total cpu time spent up to now is 28.8 secs Computing kpt #: 39 total cpu time spent up to now is 29.6 secs Computing kpt #: 40 total cpu time spent up to now is 30.4 secs Computing kpt #: 41 total cpu time spent up to now is 31.2 secs Computing kpt #: 42 total cpu time spent up to now is 32.0 secs Computing kpt #: 43 total cpu time spent up to now is 32.8 secs Computing kpt #: 44 total cpu time spent up to now is 33.6 secs Computing kpt #: 45 total cpu time spent up to now is 34.3 secs Computing kpt #: 46 total cpu time spent up to now is 35.0 secs Computing kpt #: 47 total cpu time spent up to now is 35.7 secs Computing kpt #: 48 total cpu time spent up to now is 36.4 secs Computing kpt #: 49 total cpu time spent up to now is 37.0 secs Computing kpt #: 50 total cpu time spent up to now is 37.6 secs Computing kpt #: 51 total cpu time spent up to now is 38.2 secs Computing kpt #: 52 total cpu time spent up to now is 38.8 secs Computing kpt #: 53 total cpu time spent up to now is 39.4 secs Computing kpt #: 54 total cpu time spent up to now is 40.0 secs Computing kpt #: 55 total cpu time spent up to now is 40.6 secs Computing kpt #: 56 total cpu time spent up to now is 41.1 secs Computing kpt #: 57 total cpu time spent up to now is 41.7 secs Computing kpt #: 58 total cpu time spent up to now is 42.3 secs Computing kpt #: 59 total cpu time spent up to now is 42.9 secs Computing kpt #: 60 total cpu time spent up to now is 43.4 secs Computing kpt #: 61 total cpu time spent up to now is 44.0 secs Computing kpt #: 62 total cpu time spent up to now is 44.6 secs Computing kpt #: 63 total cpu time spent up to now is 45.1 secs Computing kpt #: 64 total cpu time spent up to now is 45.7 secs Computing kpt #: 65 total cpu time spent up to now is 46.3 secs Computing kpt #: 66 total cpu time spent up to now is 46.9 secs Computing kpt #: 67 total cpu time spent up to now is 47.5 secs Computing kpt #: 68 total cpu time spent up to now is 48.1 secs Computing kpt #: 69 total cpu time spent up to now is 48.7 secs Computing kpt #: 70 total cpu time spent up to now is 49.3 secs Computing kpt #: 71 total cpu time spent up to now is 49.9 secs Computing kpt #: 72 total cpu time spent up to now is 50.6 secs Computing kpt #: 73 total cpu time spent up to now is 51.3 secs Computing kpt #: 74 total cpu time spent up to now is 52.0 secs Computing kpt #: 75 total cpu time spent up to now is 52.7 secs Computing kpt #: 76 total cpu time spent up to now is 53.5 secs Computing kpt #: 77 total cpu time spent up to now is 54.2 secs Computing kpt #: 78 total cpu time spent up to now is 54.8 secs Computing kpt #: 79 total cpu time spent up to now is 55.4 secs Computing kpt #: 80 total cpu time spent up to now is 56.0 secs Computing kpt #: 81 total cpu time spent up to now is 56.6 secs Computing kpt #: 82 total cpu time spent up to now is 57.2 secs Computing kpt #: 83 total cpu time spent up to now is 57.8 secs Computing kpt #: 84 total cpu time spent up to now is 58.4 secs Computing kpt #: 85 total cpu time spent up to now is 59.0 secs Computing kpt #: 86 total cpu time spent up to now is 59.6 secs Computing kpt #: 87 total cpu time spent up to now is 60.2 secs Computing kpt #: 88 total cpu time spent up to now is 60.8 secs Computing kpt #: 89 total cpu time spent up to now is 61.4 secs Computing kpt #: 90 total cpu time spent up to now is 62.0 secs Computing kpt #: 91 total cpu time spent up to now is 62.5 secs Computing kpt #: 92 total cpu time spent up to now is 63.1 secs Computing kpt #: 93 total cpu time spent up to now is 63.7 secs Computing kpt #: 94 total cpu time spent up to now is 64.3 secs Computing kpt #: 95 total cpu time spent up to now is 64.9 secs Computing kpt #: 96 total cpu time spent up to now is 65.4 secs Computing kpt #: 97 total cpu time spent up to now is 66.0 secs Computing kpt #: 98 total cpu time spent up to now is 66.6 secs Computing kpt #: 99 total cpu time spent up to now is 67.2 secs Computing kpt #: 100 total cpu time spent up to now is 67.9 secs Computing kpt #: 101 total cpu time spent up to now is 68.5 secs Computing kpt #: 102 total cpu time spent up to now is 69.2 secs Computing kpt #: 103 total cpu time spent up to now is 69.9 secs Computing kpt #: 104 total cpu time spent up to now is 70.6 secs Computing kpt #: 105 total cpu time spent up to now is 71.3 secs Computing kpt #: 106 total cpu time spent up to now is 72.0 secs Computing kpt #: 107 total cpu time spent up to now is 72.7 secs Computing kpt #: 108 total cpu time spent up to now is 73.4 secs Computing kpt #: 109 total cpu time spent up to now is 74.0 secs Computing kpt #: 110 total cpu time spent up to now is 74.7 secs Computing kpt #: 111 total cpu time spent up to now is 75.4 secs Computing kpt #: 112 total cpu time spent up to now is 76.1 secs Computing kpt #: 113 total cpu time spent up to now is 76.8 secs Computing kpt #: 114 total cpu time spent up to now is 77.4 secs Computing kpt #: 115 total cpu time spent up to now is 78.1 secs Computing kpt #: 116 total cpu time spent up to now is 78.8 secs Computing kpt #: 117 total cpu time spent up to now is 79.5 secs Computing kpt #: 118 total cpu time spent up to now is 80.2 secs Computing kpt #: 119 total cpu time spent up to now is 80.9 secs Computing kpt #: 120 total cpu time spent up to now is 81.6 secs Computing kpt #: 121 total cpu time spent up to now is 82.3 secs Computing kpt #: 122 total cpu time spent up to now is 83.0 secs Computing kpt #: 123 total cpu time spent up to now is 83.7 secs Computing kpt #: 124 total cpu time spent up to now is 84.5 secs Computing kpt #: 125 total cpu time spent up to now is 85.3 secs Computing kpt #: 126 total cpu time spent up to now is 86.1 secs Computing kpt #: 127 total cpu time spent up to now is 86.9 secs Computing kpt #: 128 total cpu time spent up to now is 87.7 secs Computing kpt #: 129 total cpu time spent up to now is 88.6 secs Computing kpt #: 130 total cpu time spent up to now is 89.4 secs Computing kpt #: 131 total cpu time spent up to now is 90.3 secs Computing kpt #: 132 total cpu time spent up to now is 91.2 secs Computing kpt #: 133 total cpu time spent up to now is 92.0 secs Computing kpt #: 134 total cpu time spent up to now is 92.9 secs Computing kpt #: 135 total cpu time spent up to now is 93.7 secs Computing kpt #: 136 total cpu time spent up to now is 94.6 secs Computing kpt #: 137 total cpu time spent up to now is 95.4 secs Computing kpt #: 138 total cpu time spent up to now is 96.2 secs Computing kpt #: 139 total cpu time spent up to now is 97.0 secs Computing kpt #: 140 total cpu time spent up to now is 97.8 secs Computing kpt #: 141 total cpu time spent up to now is 98.6 secs Computing kpt #: 142 total cpu time spent up to now is 99.3 secs Computing kpt #: 143 total cpu time spent up to now is 100.0 secs Computing kpt #: 144 total cpu time spent up to now is 100.7 secs Computing kpt #: 145 total cpu time spent up to now is 101.4 secs Computing kpt #: 146 total cpu time spent up to now is 102.0 secs Computing kpt #: 147 total cpu time spent up to now is 102.7 secs Computing kpt #: 148 total cpu time spent up to now is 103.4 secs Computing kpt #: 149 total cpu time spent up to now is 104.0 secs Computing kpt #: 150 total cpu time spent up to now is 104.7 secs Computing kpt #: 151 total cpu time spent up to now is 105.5 secs Computing kpt #: 152 total cpu time spent up to now is 106.3 secs Computing kpt #: 153 total cpu time spent up to now is 107.0 secs Computing kpt #: 154 total cpu time spent up to now is 107.7 secs Computing kpt #: 155 total cpu time spent up to now is 108.4 secs Computing kpt #: 156 total cpu time spent up to now is 109.1 secs Computing kpt #: 157 total cpu time spent up to now is 109.8 secs Computing kpt #: 158 total cpu time spent up to now is 110.5 secs Computing kpt #: 159 total cpu time spent up to now is 111.2 secs Computing kpt #: 160 total cpu time spent up to now is 111.9 secs Computing kpt #: 161 total cpu time spent up to now is 112.5 secs Computing kpt #: 162 total cpu time spent up to now is 113.2 secs Computing kpt #: 163 total cpu time spent up to now is 113.9 secs Computing kpt #: 164 total cpu time spent up to now is 114.6 secs Computing kpt #: 165 total cpu time spent up to now is 115.3 secs Computing kpt #: 166 total cpu time spent up to now is 116.0 secs Computing kpt #: 167 total cpu time spent up to now is 116.6 secs Computing kpt #: 168 total cpu time spent up to now is 117.3 secs Computing kpt #: 169 total cpu time spent up to now is 118.0 secs Computing kpt #: 170 total cpu time spent up to now is 118.7 secs Computing kpt #: 171 total cpu time spent up to now is 119.3 secs Computing kpt #: 172 total cpu time spent up to now is 120.0 secs Computing kpt #: 173 total cpu time spent up to now is 120.6 secs Computing kpt #: 174 total cpu time spent up to now is 121.2 secs Computing kpt #: 175 total cpu time spent up to now is 121.8 secs Computing kpt #: 176 total cpu time spent up to now is 122.3 secs Computing kpt #: 177 total cpu time spent up to now is 122.9 secs Computing kpt #: 178 total cpu time spent up to now is 123.5 secs Computing kpt #: 179 total cpu time spent up to now is 124.1 secs Computing kpt #: 180 total cpu time spent up to now is 124.6 secs Computing kpt #: 181 total cpu time spent up to now is 125.2 secs Computing kpt #: 182 total cpu time spent up to now is 125.8 secs Computing kpt #: 183 total cpu time spent up to now is 126.3 secs Computing kpt #: 184 total cpu time spent up to now is 126.9 secs Computing kpt #: 185 total cpu time spent up to now is 127.5 secs Computing kpt #: 186 total cpu time spent up to now is 128.0 secs Computing kpt #: 187 total cpu time spent up to now is 128.6 secs Computing kpt #: 188 total cpu time spent up to now is 129.2 secs Computing kpt #: 189 total cpu time spent up to now is 129.7 secs Computing kpt #: 190 total cpu time spent up to now is 130.3 secs Computing kpt #: 191 total cpu time spent up to now is 130.8 secs Computing kpt #: 192 total cpu time spent up to now is 131.4 secs Computing kpt #: 193 total cpu time spent up to now is 131.9 secs Computing kpt #: 194 total cpu time spent up to now is 132.5 secs Computing kpt #: 195 total cpu time spent up to now is 133.0 secs Computing kpt #: 196 total cpu time spent up to now is 133.6 secs Computing kpt #: 197 total cpu time spent up to now is 134.3 secs Computing kpt #: 198 total cpu time spent up to now is 134.9 secs Computing kpt #: 199 total cpu time spent up to now is 135.7 secs Computing kpt #: 200 total cpu time spent up to now is 136.2 secs Computing kpt #: 201 total cpu time spent up to now is 136.8 secs Computing kpt #: 202 total cpu time spent up to now is 137.4 secs Computing kpt #: 203 total cpu time spent up to now is 137.9 secs Computing kpt #: 204 total cpu time spent up to now is 138.5 secs Computing kpt #: 205 total cpu time spent up to now is 139.1 secs Computing kpt #: 206 total cpu time spent up to now is 139.7 secs Computing kpt #: 207 total cpu time spent up to now is 140.3 secs Computing kpt #: 208 total cpu time spent up to now is 141.0 secs Computing kpt #: 209 total cpu time spent up to now is 141.7 secs Computing kpt #: 210 total cpu time spent up to now is 142.4 secs Computing kpt #: 211 total cpu time spent up to now is 143.1 secs Computing kpt #: 212 total cpu time spent up to now is 143.8 secs Computing kpt #: 213 total cpu time spent up to now is 144.6 secs Computing kpt #: 214 total cpu time spent up to now is 145.4 secs Computing kpt #: 215 total cpu time spent up to now is 146.2 secs Computing kpt #: 216 total cpu time spent up to now is 146.9 secs Computing kpt #: 217 total cpu time spent up to now is 147.7 secs Computing kpt #: 218 total cpu time spent up to now is 148.4 secs Computing kpt #: 219 total cpu time spent up to now is 149.1 secs Computing kpt #: 220 total cpu time spent up to now is 149.8 secs Computing kpt #: 221 total cpu time spent up to now is 150.4 secs Computing kpt #: 222 total cpu time spent up to now is 151.0 secs Computing kpt #: 223 total cpu time spent up to now is 151.6 secs Computing kpt #: 224 total cpu time spent up to now is 152.1 secs Computing kpt #: 225 total cpu time spent up to now is 152.7 secs Computing kpt #: 226 total cpu time spent up to now is 153.3 secs Computing kpt #: 227 total cpu time spent up to now is 153.8 secs Computing kpt #: 228 total cpu time spent up to now is 154.4 secs Computing kpt #: 229 total cpu time spent up to now is 155.0 secs Computing kpt #: 230 total cpu time spent up to now is 155.5 secs Computing kpt #: 231 total cpu time spent up to now is 156.1 secs Computing kpt #: 232 total cpu time spent up to now is 156.6 secs Computing kpt #: 233 total cpu time spent up to now is 157.2 secs Computing kpt #: 234 total cpu time spent up to now is 157.7 secs Computing kpt #: 235 total cpu time spent up to now is 158.3 secs Computing kpt #: 236 total cpu time spent up to now is 158.8 secs Computing kpt #: 237 total cpu time spent up to now is 159.4 secs Computing kpt #: 238 total cpu time spent up to now is 159.9 secs Computing kpt #: 239 total cpu time spent up to now is 160.5 secs Computing kpt #: 240 total cpu time spent up to now is 161.0 secs Computing kpt #: 241 total cpu time spent up to now is 161.6 secs Computing kpt #: 242 total cpu time spent up to now is 162.1 secs Computing kpt #: 243 total cpu time spent up to now is 162.7 secs Computing kpt #: 244 total cpu time spent up to now is 163.2 secs Computing kpt #: 245 total cpu time spent up to now is 163.7 secs Computing kpt #: 246 total cpu time spent up to now is 164.3 secs Computing kpt #: 247 total cpu time spent up to now is 164.9 secs Computing kpt #: 248 total cpu time spent up to now is 165.4 secs Computing kpt #: 249 total cpu time spent up to now is 166.0 secs Computing kpt #: 250 total cpu time spent up to now is 166.5 secs Computing kpt #: 251 total cpu time spent up to now is 167.1 secs Computing kpt #: 252 total cpu time spent up to now is 167.7 secs Computing kpt #: 253 total cpu time spent up to now is 168.3 secs Computing kpt #: 254 total cpu time spent up to now is 168.9 secs Computing kpt #: 255 total cpu time spent up to now is 169.5 secs Computing kpt #: 256 total cpu time spent up to now is 170.2 secs Computing kpt #: 257 total cpu time spent up to now is 170.9 secs Computing kpt #: 258 total cpu time spent up to now is 171.6 secs Computing kpt #: 259 total cpu time spent up to now is 172.3 secs Computing kpt #: 260 total cpu time spent up to now is 173.0 secs Computing kpt #: 261 total cpu time spent up to now is 173.7 secs Computing kpt #: 262 total cpu time spent up to now is 174.3 secs Computing kpt #: 263 total cpu time spent up to now is 175.0 secs Computing kpt #: 264 total cpu time spent up to now is 175.7 secs Computing kpt #: 265 total cpu time spent up to now is 176.7 secs Computing kpt #: 266 total cpu time spent up to now is 177.5 secs Computing kpt #: 267 total cpu time spent up to now is 178.3 secs Computing kpt #: 268 total cpu time spent up to now is 179.1 secs Computing kpt #: 269 total cpu time spent up to now is 180.2 secs Computing kpt #: 270 total cpu time spent up to now is 181.2 secs Computing kpt #: 271 total cpu time spent up to now is 182.0 secs Computing kpt #: 272 total cpu time spent up to now is 182.7 secs Computing kpt #: 273 total cpu time spent up to now is 183.4 secs Computing kpt #: 274 total cpu time spent up to now is 184.1 secs Computing kpt #: 275 total cpu time spent up to now is 184.7 secs Computing kpt #: 276 total cpu time spent up to now is 185.3 secs Computing kpt #: 277 total cpu time spent up to now is 185.8 secs Computing kpt #: 278 total cpu time spent up to now is 186.4 secs Computing kpt #: 279 total cpu time spent up to now is 187.0 secs Computing kpt #: 280 total cpu time spent up to now is 187.6 secs Computing kpt #: 281 total cpu time spent up to now is 188.1 secs Computing kpt #: 282 total cpu time spent up to now is 188.7 secs Computing kpt #: 283 total cpu time spent up to now is 189.3 secs Computing kpt #: 284 total cpu time spent up to now is 189.8 secs Computing kpt #: 285 total cpu time spent up to now is 190.4 secs Computing kpt #: 286 total cpu time spent up to now is 190.9 secs Computing kpt #: 287 total cpu time spent up to now is 191.5 secs Computing kpt #: 288 total cpu time spent up to now is 192.0 secs Computing kpt #: 289 total cpu time spent up to now is 192.6 secs Computing kpt #: 290 total cpu time spent up to now is 193.1 secs Computing kpt #: 291 total cpu time spent up to now is 193.7 secs ethr = 1.61E-08, avg # of iterations = 21.7 total cpu time spent up to now is 193.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3445 PWs) bands (ev): -19.5440 -19.5440 -18.5222 -18.5222 -18.4787 -18.4787 -18.4784 -18.4784 -18.4444 -18.4444 -18.4378 -18.4378 -3.2975 -3.2975 -2.5619 -2.5619 -2.5609 -2.5609 -1.7686 -1.7686 -1.7557 -1.7557 -1.6994 -1.6994 -1.6839 -1.6839 -1.6474 -1.6474 -1.2335 -1.2335 0.0920 0.0920 0.4379 0.4379 1.0501 1.0501 1.0675 1.0675 1.0868 1.0868 1.0931 1.0931 1.4541 1.4541 1.4884 1.4884 1.5112 1.5112 1.8001 1.8001 1.8104 1.8104 1.9694 1.9694 2.4857 2.4857 2.5734 2.5734 3.0218 3.0218 3.5897 3.5897 3.6027 3.6027 5.2397 5.2397 5.2469 5.2469 10.0195 10.0195 15.8812 15.8812 17.0846 17.0846 k = 0.0125-0.0086-0.0059 ( 3455 PWs) bands (ev): -19.5437 -19.5437 -18.5222 -18.5222 -18.4789 -18.4789 -18.4785 -18.4785 -18.4444 -18.4444 -18.4379 -18.4379 -3.2970 -3.2970 -2.5616 -2.5616 -2.5606 -2.5606 -1.7717 -1.7717 -1.7585 -1.7585 -1.6942 -1.6942 -1.6838 -1.6838 -1.6471 -1.6471 -1.2335 -1.2335 0.0922 0.0922 0.4382 0.4382 1.0495 1.0495 1.0663 1.0663 1.0858 1.0858 1.0936 1.0936 1.4522 1.4522 1.4857 1.4857 1.5096 1.5096 1.8022 1.8022 1.8129 1.8129 1.9713 1.9713 2.4864 2.4864 2.5740 2.5740 3.0216 3.0216 3.5897 3.5897 3.6027 3.6027 5.2389 5.2389 5.2461 5.2461 10.0221 10.0221 15.8827 15.8827 17.0736 17.0736 k = 0.0250-0.0172-0.0118 ( 3447 PWs) bands (ev): -19.5425 -19.5425 -18.5222 -18.5222 -18.4794 -18.4794 -18.4788 -18.4788 -18.4447 -18.4447 -18.4382 -18.4382 -3.2954 -3.2954 -2.5605 -2.5605 -2.5595 -2.5595 -1.7809 -1.7809 -1.7637 -1.7637 -1.6843 -1.6843 -1.6812 -1.6812 -1.6457 -1.6457 -1.2334 -1.2334 0.0927 0.0927 0.4391 0.4391 1.0475 1.0475 1.0636 1.0636 1.0806 1.0806 1.0968 1.0968 1.4462 1.4462 1.4779 1.4779 1.5054 1.5054 1.8080 1.8080 1.8204 1.8204 1.9770 1.9770 2.4885 2.4885 2.5760 2.5760 3.0210 3.0210 3.5897 3.5897 3.6027 3.6027 5.2365 5.2365 5.2438 5.2438 10.0299 10.0299 15.8869 15.8869 17.0428 17.0428 k = 0.0375-0.0258-0.0177 ( 3449 PWs) bands (ev): -19.5406 -19.5406 -18.5223 -18.5223 -18.4803 -18.4803 -18.4793 -18.4793 -18.4453 -18.4453 -18.4385 -18.4385 -3.2929 -3.2929 -2.5589 -2.5589 -2.5579 -2.5579 -1.7937 -1.7937 -1.7695 -1.7695 -1.6833 -1.6833 -1.6682 -1.6682 -1.6421 -1.6421 -1.2332 -1.2332 0.0935 0.0935 0.4405 0.4405 1.0440 1.0440 1.0604 1.0604 1.0711 1.0711 1.1018 1.1018 1.4363 1.4363 1.4656 1.4656 1.4993 1.4993 1.8167 1.8167 1.8325 1.8325 1.9861 1.9861 2.4919 2.4919 2.5793 2.5793 3.0200 3.0200 3.5895 3.5895 3.6027 3.6027 5.2326 5.2326 5.2399 5.2399 10.0429 10.0429 15.8938 15.8938 16.9966 16.9966 k = 0.0500-0.0344-0.0235 ( 3454 PWs) bands (ev): -19.5379 -19.5379 -18.5224 -18.5224 -18.4816 -18.4816 -18.4800 -18.4800 -18.4463 -18.4463 -18.4388 -18.4388 -3.2893 -3.2893 -2.5566 -2.5566 -2.5556 -2.5556 -1.8077 -1.8077 -1.7766 -1.7766 -1.6829 -1.6829 -1.6586 -1.6586 -1.6326 -1.6326 -1.2330 -1.2330 0.0946 0.0946 0.4424 0.4424 1.0385 1.0385 1.0550 1.0550 1.0609 1.0609 1.1074 1.1074 1.4224 1.4224 1.4503 1.4503 1.4923 1.4923 1.8276 1.8276 1.8484 1.8484 1.9981 1.9981 2.4967 2.4967 2.5839 2.5839 3.0186 3.0186 3.5890 3.5890 3.6029 3.6029 5.2272 5.2272 5.2344 5.2344 10.0610 10.0610 15.9032 15.9032 16.9396 16.9396 k = 0.0625-0.0430-0.0294 ( 3449 PWs) bands (ev): -19.5345 -19.5345 -18.5226 -18.5226 -18.4832 -18.4832 -18.4808 -18.4808 -18.4477 -18.4477 -18.4389 -18.4389 -3.2847 -3.2847 -2.5537 -2.5537 -2.5527 -2.5527 -1.8216 -1.8216 -1.7851 -1.7851 -1.6826 -1.6826 -1.6543 -1.6543 -1.6165 -1.6165 -1.2327 -1.2327 0.0960 0.0960 0.4447 0.4447 1.0279 1.0279 1.0434 1.0434 1.0571 1.0571 1.1130 1.1130 1.4047 1.4047 1.4334 1.4334 1.4851 1.4851 1.8400 1.8400 1.8672 1.8672 2.0126 2.0126 2.5028 2.5028 2.5899 2.5899 3.0168 3.0168 3.5883 3.5883 3.6035 3.6035 5.2202 5.2202 5.2274 5.2274 10.0841 10.0841 15.9149 15.9149 16.8753 16.8753 k = 0.0750-0.0516-0.0353 ( 3453 PWs) bands (ev): -19.5304 -19.5304 -18.5229 -18.5229 -18.4853 -18.4853 -18.4818 -18.4818 -18.4495 -18.4495 -18.4388 -18.4388 -3.2791 -3.2791 -2.5502 -2.5502 -2.5490 -2.5490 -1.8351 -1.8351 -1.7950 -1.7950 -1.6825 -1.6825 -1.6522 -1.6522 -1.5974 -1.5974 -1.2322 -1.2322 0.0975 0.0975 0.4470 0.4470 1.0081 1.0081 1.0355 1.0355 1.0547 1.0547 1.1184 1.1184 1.3834 1.3834 1.4161 1.4161 1.4781 1.4781 1.8537 1.8537 1.8881 1.8881 2.0291 2.0291 2.5101 2.5101 2.5970 2.5970 3.0146 3.0146 3.5871 3.5871 3.6045 3.6045 5.2117 5.2117 5.2189 5.2189 10.1123 10.1123 15.9285 15.9285 16.8061 16.8061 k = 0.0875-0.0602-0.0412 ( 3453 PWs) bands (ev): -19.5254 -19.5254 -18.5235 -18.5235 -18.4878 -18.4878 -18.4829 -18.4829 -18.4516 -18.4516 -18.4386 -18.4386 -3.2726 -3.2726 -2.5463 -2.5463 -2.5448 -2.5448 -1.8477 -1.8477 -1.8063 -1.8063 -1.6826 -1.6826 -1.6508 -1.6508 -1.5770 -1.5770 -1.2315 -1.2315 0.0990 0.0990 0.4493 0.4493 0.9818 0.9818 1.0298 1.0298 1.0525 1.0525 1.1232 1.1232 1.3596 1.3596 1.3989 1.3989 1.4715 1.4715 1.8682 1.8682 1.9103 1.9103 2.0471 2.0471 2.5185 2.5185 2.6053 2.6053 3.0120 3.0120 3.5856 3.5856 3.6061 3.6061 5.2016 5.2016 5.2089 5.2089 10.1453 10.1453 15.9434 15.9434 16.7339 16.7339 k = 0.1000-0.0688-0.0471 ( 3454 PWs) bands (ev): -19.5198 -19.5198 -18.5244 -18.5244 -18.4906 -18.4906 -18.4840 -18.4840 -18.4539 -18.4539 -18.4383 -18.4383 -3.2650 -3.2650 -2.5418 -2.5418 -2.5399 -2.5399 -1.8594 -1.8594 -1.8189 -1.8189 -1.6830 -1.6830 -1.6494 -1.6494 -1.5561 -1.5561 -1.2306 -1.2306 0.1005 0.1005 0.4513 0.4513 0.9511 0.9511 1.0248 1.0248 1.0502 1.0502 1.1273 1.1273 1.3344 1.3344 1.3822 1.3822 1.4655 1.4655 1.8834 1.8834 1.9335 1.9335 2.0661 2.0661 2.5280 2.5280 2.6148 2.6148 3.0090 3.0090 3.5838 3.5838 3.6083 3.6083 5.1900 5.1900 5.1974 5.1974 10.1831 10.1831 15.9588 15.9588 16.6604 16.6604 k = 0.1125-0.0773-0.0530 ( 3452 PWs) bands (ev): -19.5134 -19.5134 -18.5259 -18.5259 -18.4936 -18.4936 -18.4853 -18.4853 -18.4563 -18.4563 -18.4380 -18.4380 -3.2564 -3.2564 -2.5369 -2.5369 -2.5345 -2.5345 -1.8701 -1.8701 -1.8327 -1.8327 -1.6837 -1.6837 -1.6479 -1.6479 -1.5348 -1.5348 -1.2295 -1.2295 0.1018 0.1018 0.4527 0.4527 0.9167 0.9167 1.0201 1.0201 1.0479 1.0479 1.1304 1.1304 1.3087 1.3087 1.3662 1.3662 1.4602 1.4602 1.8989 1.8989 1.9571 1.9571 2.0861 2.0861 2.5383 2.5383 2.6252 2.6252 3.0057 3.0057 3.5818 3.5818 3.6110 3.6110 5.1769 5.1769 5.1846 5.1846 10.2256 10.2256 15.9732 15.9732 16.5876 16.5876 k = 0.1250-0.0859-0.0588 ( 3453 PWs) bands (ev): -19.5064 -19.5064 -18.5281 -18.5281 -18.4966 -18.4966 -18.4866 -18.4866 -18.4587 -18.4587 -18.4377 -18.4377 -3.2469 -3.2469 -2.5316 -2.5316 -2.5285 -2.5285 -1.8797 -1.8797 -1.8476 -1.8476 -1.6847 -1.6847 -1.6461 -1.6461 -1.5133 -1.5133 -1.2281 -1.2281 0.1028 0.1028 0.4531 0.4531 0.8790 0.8790 1.0158 1.0158 1.0454 1.0454 1.1323 1.1323 1.2835 1.2835 1.3513 1.3513 1.4556 1.4556 1.9147 1.9147 1.9811 1.9811 2.1065 2.1065 2.5496 2.5496 2.6366 2.6366 3.0019 3.0019 3.5797 3.5797 3.6145 3.6145 5.1622 5.1622 5.1704 5.1704 10.2725 10.2725 15.9844 15.9844 16.5180 16.5180 k = 0.1375-0.0945-0.0647 ( 3449 PWs) bands (ev): -19.4986 -19.4986 -18.5315 -18.5315 -18.4993 -18.4993 -18.4879 -18.4879 -18.4610 -18.4610 -18.4373 -18.4373 -3.2365 -3.2365 -2.5260 -2.5260 -2.5219 -2.5219 -1.8883 -1.8883 -1.8634 -1.8634 -1.6859 -1.6859 -1.6440 -1.6440 -1.4917 -1.4917 -1.2265 -1.2265 0.1033 0.1033 0.4522 0.4522 0.8384 0.8384 1.0116 1.0116 1.0428 1.0428 1.1327 1.1327 1.2594 1.2594 1.3377 1.3377 1.4515 1.4515 1.9307 1.9307 2.0051 2.0051 2.1274 2.1274 2.5615 2.5615 2.6488 2.6488 2.9977 2.9977 3.5777 3.5777 3.6186 3.6186 5.1460 5.1460 5.1549 5.1549 10.3238 10.3238 15.9887 15.9887 16.4552 16.4552 k = 0.1500-0.1031-0.0706 ( 3449 PWs) bands (ev): -19.4901 -19.4901 -18.5363 -18.5363 -18.5016 -18.5016 -18.4892 -18.4892 -18.4632 -18.4632 -18.4370 -18.4370 -3.2251 -3.2251 -2.5202 -2.5202 -2.5148 -2.5148 -1.8962 -1.8962 -1.8796 -1.8796 -1.6875 -1.6875 -1.6415 -1.6415 -1.4701 -1.4701 -1.2245 -1.2245 0.1031 0.1031 0.4494 0.4494 0.7953 0.7953 1.0074 1.0074 1.0401 1.0401 1.1315 1.1315 1.2373 1.2373 1.3259 1.3259 1.4479 1.4479 1.9468 1.9468 2.0290 2.0290 2.1485 2.1485 2.5741 2.5741 2.6615 2.6615 2.9932 2.9932 3.5758 3.5758 3.6234 3.6234 5.1282 5.1282 5.1381 5.1381 10.3793 10.3793 15.9809 15.9809 16.4048 16.4048 k = 0.1625-0.1117-0.0765 ( 3455 PWs) bands (ev): -19.4810 -19.4810 -18.5425 -18.5425 -18.5032 -18.5032 -18.4905 -18.4905 -18.4654 -18.4654 -18.4368 -18.4368 -3.2128 -3.2128 -2.5143 -2.5143 -2.5072 -2.5072 -1.9059 -1.9059 -1.8938 -1.8938 -1.6894 -1.6894 -1.6386 -1.6386 -1.4485 -1.4485 -1.2221 -1.2221 0.1020 0.1020 0.4445 0.4445 0.7500 0.7500 1.0031 1.0031 1.0373 1.0373 1.1287 1.1287 1.2175 1.2175 1.3160 1.3160 1.4448 1.4448 1.9629 1.9629 2.0527 2.0527 2.1698 2.1698 2.5871 2.5871 2.6747 2.6747 2.9884 2.9884 3.5744 3.5744 3.6290 3.6290 5.1089 5.1089 5.1202 5.1202 10.4389 10.4389 15.9552 15.9552 16.3722 16.3722 k = 0.1750-0.1203-0.0824 ( 3457 PWs) bands (ev): -19.4712 -19.4712 -18.5500 -18.5500 -18.5043 -18.5043 -18.4918 -18.4918 -18.4674 -18.4674 -18.4366 -18.4366 -3.1996 -3.1996 -2.5082 -2.5082 -2.4991 -2.4991 -1.9215 -1.9215 -1.9016 -1.9016 -1.6916 -1.6916 -1.6350 -1.6350 -1.4269 -1.4269 -1.2194 -1.2194 0.0998 0.0998 0.4370 0.4370 0.7031 0.7031 0.9986 0.9986 1.0347 1.0347 1.1248 1.1248 1.2003 1.2003 1.3082 1.3082 1.4419 1.4419 1.9790 1.9790 2.0761 2.0761 2.1912 2.1912 2.6004 2.6004 2.6882 2.6882 2.9831 2.9831 3.5734 3.5734 3.6354 3.6354 5.0882 5.0882 5.1010 5.1010 10.5023 10.5023 15.9095 15.9095 16.3596 16.3596 k = 0.1875-0.1289-0.0883 ( 3458 PWs) bands (ev): -19.4608 -19.4608 -18.5587 -18.5587 -18.5051 -18.5051 -18.4929 -18.4929 -18.4694 -18.4694 -18.4364 -18.4364 -3.1855 -3.1855 -2.5022 -2.5022 -2.4906 -2.4906 -1.9404 -1.9404 -1.9056 -1.9056 -1.6940 -1.6940 -1.6309 -1.6309 -1.4053 -1.4053 -1.2164 -1.2164 0.0962 0.0962 0.4263 0.4263 0.6550 0.6550 0.9936 0.9936 1.0324 1.0324 1.1204 1.1204 1.1856 1.1856 1.3024 1.3024 1.4393 1.4393 1.9951 1.9951 2.0991 2.0991 2.2125 2.2125 2.6139 2.6139 2.7017 2.7017 2.9774 2.9774 3.5730 3.5730 3.6427 3.6427 5.0659 5.0659 5.0808 5.0808 10.5694 10.5694 15.8464 15.8464 16.3640 16.3640 k = 0.2000-0.1375-0.0942 ( 3460 PWs) bands (ev): -19.4497 -19.4497 -18.5685 -18.5685 -18.5057 -18.5057 -18.4939 -18.4939 -18.4713 -18.4713 -18.4364 -18.4364 -3.1706 -3.1706 -2.4962 -2.4962 -2.4816 -2.4816 -1.9607 -1.9607 -1.9077 -1.9077 -1.6966 -1.6966 -1.6262 -1.6262 -1.3836 -1.3836 -1.2129 -1.2129 0.0908 0.0908 0.4123 0.4123 0.6060 0.6060 0.9881 0.9881 1.0307 1.0307 1.1163 1.1163 1.1732 1.1732 1.2984 1.2984 1.4368 1.4368 2.0111 2.0111 2.1218 2.1218 2.2339 2.2339 2.6275 2.6275 2.7152 2.7152 2.9715 2.9715 3.5735 3.5735 3.6511 3.6511 5.0423 5.0423 5.0596 5.0596 10.6399 10.6399 15.7709 15.7709 16.3800 16.3800 k = 0.2125-0.1461-0.1000 ( 3466 PWs) bands (ev): -19.4381 -19.4381 -18.5792 -18.5792 -18.5062 -18.5062 -18.4948 -18.4948 -18.4731 -18.4731 -18.4364 -18.4364 -3.1550 -3.1550 -2.4904 -2.4904 -2.4723 -2.4723 -1.9818 -1.9818 -1.9084 -1.9084 -1.6993 -1.6993 -1.6207 -1.6207 -1.3620 -1.3620 -1.2091 -1.2091 0.0835 0.0835 0.3945 0.3945 0.5569 0.5569 0.9823 0.9823 1.0298 1.0298 1.1130 1.1130 1.1627 1.1627 1.2958 1.2958 1.4344 1.4344 2.0271 2.0271 2.1439 2.1439 2.2551 2.2551 2.6409 2.6409 2.7283 2.7283 2.9652 2.9652 3.5749 3.5749 3.6605 3.6605 5.0172 5.0172 5.0373 5.0373 10.7138 10.7138 15.6871 15.6871 16.4032 16.4032 k = 0.2250-0.1547-0.1059 ( 3467 PWs) bands (ev): -19.4259 -19.4259 -18.5907 -18.5907 -18.5067 -18.5067 -18.4954 -18.4954 -18.4748 -18.4748 -18.4364 -18.4364 -3.1385 -3.1385 -2.4847 -2.4847 -2.4626 -2.4626 -2.0035 -2.0035 -1.9078 -1.9078 -1.7022 -1.7022 -1.6144 -1.6144 -1.3402 -1.3402 -1.2050 -1.2050 0.0736 0.0736 0.3730 0.3730 0.5081 0.5081 0.9764 0.9764 1.0300 1.0300 1.1110 1.1110 1.1539 1.1539 1.2944 1.2944 1.4320 1.4320 2.0430 2.0430 2.1657 2.1657 2.2763 2.2763 2.6540 2.6540 2.7410 2.7410 2.9586 2.9586 3.5775 3.5775 3.6710 3.6710 4.9909 4.9909 5.0141 5.0141 10.7907 10.7907 15.5978 15.5978 16.4301 16.4301 k = 0.2375-0.1633-0.1118 ( 3470 PWs) bands (ev): -19.4132 -19.4132 -18.6030 -18.6030 -18.5073 -18.5073 -18.4959 -18.4959 -18.4763 -18.4763 -18.4366 -18.4366 -3.1213 -3.1213 -2.4793 -2.4793 -2.4526 -2.4526 -2.0258 -2.0258 -1.9061 -1.9061 -1.7052 -1.7052 -1.6074 -1.6074 -1.3183 -1.3183 -1.2005 -1.2005 0.0608 0.0608 0.3477 0.3477 0.4603 0.4603 0.9706 0.9706 1.0312 1.0312 1.1103 1.1103 1.1466 1.1466 1.2939 1.2939 1.4295 1.4295 2.0588 2.0588 2.1870 2.1870 2.2973 2.2973 2.6665 2.6665 2.7530 2.7530 2.9519 2.9519 3.5814 3.5814 3.6828 3.6828 4.9633 4.9633 4.9900 4.9900 10.8706 10.8706 15.5046 15.5046 16.4584 16.4584 k = 0.2500-0.1719-0.1177 ( 3469 PWs) bands (ev): -19.4000 -19.4000 -18.6159 -18.6159 -18.5080 -18.5080 -18.4962 -18.4962 -18.4777 -18.4777 -18.4368 -18.4368 -3.1034 -3.1034 -2.4742 -2.4742 -2.4424 -2.4424 -2.0484 -2.0484 -1.9035 -1.9035 -1.7081 -1.7081 -1.5995 -1.5995 -1.2963 -1.2963 -1.1955 -1.1955 0.0445 0.0445 0.3191 0.3191 0.4140 0.4140 0.9652 0.9652 1.0336 1.0336 1.1109 1.1109 1.1409 1.1409 1.2938 1.2938 1.4269 1.4269 2.0745 2.0745 2.2079 2.2079 2.3181 2.3181 2.6785 2.6785 2.7641 2.7641 2.9450 2.9450 3.5868 3.5868 3.6957 3.6957 4.9344 4.9344 4.9650 4.9650 10.9531 10.9531 15.4087 15.4087 16.4859 16.4859 k = 0.2625-0.1805-0.1236 ( 3471 PWs) bands (ev): -19.3862 -19.3862 -18.6293 -18.6293 -18.5088 -18.5088 -18.4964 -18.4964 -18.4788 -18.4788 -18.4371 -18.4371 -3.0849 -3.0849 -2.4694 -2.4694 -2.4320 -2.4320 -2.0714 -2.0714 -1.9001 -1.9001 -1.7108 -1.7108 -1.5908 -1.5908 -1.2741 -1.2741 -1.1902 -1.1902 0.0241 0.0241 0.2877 0.2877 0.3697 0.3697 0.9604 0.9604 1.0370 1.0370 1.1125 1.1125 1.1365 1.1365 1.2941 1.2941 1.4242 1.4242 2.0902 2.0902 2.2283 2.2283 2.3387 2.3387 2.6896 2.6896 2.7741 2.7741 2.9380 2.9380 3.5939 3.5939 3.7100 3.7100 4.9044 4.9044 4.9393 4.9393 11.0381 11.0381 15.3107 15.3107 16.5109 16.5109 k = 0.2750-0.1891-0.1295 ( 3474 PWs) bands (ev): -19.3721 -19.3721 -18.6434 -18.6434 -18.5097 -18.5097 -18.4967 -18.4967 -18.4797 -18.4797 -18.4375 -18.4375 -3.0657 -3.0657 -2.4651 -2.4651 -2.4216 -2.4216 -2.0945 -2.0945 -1.8962 -1.8962 -1.7132 -1.7132 -1.5813 -1.5813 -1.2517 -1.2517 -1.1844 -1.1844 -0.0010 -0.0010 0.2547 0.2547 0.3275 0.3275 0.9562 0.9562 1.0415 1.0415 1.1149 1.1149 1.1337 1.1337 1.2946 1.2946 1.4214 1.4214 2.1056 2.1056 2.2483 2.2483 2.3590 2.3590 2.6996 2.6996 2.7828 2.7828 2.9311 2.9311 3.6027 3.6027 3.7255 3.7255 4.8733 4.8733 4.9128 4.9128 11.1253 11.1253 15.2112 15.2112 16.5316 16.5316 k = 0.2875-0.1977-0.1353 ( 3470 PWs) bands (ev): -19.3575 -19.3575 -18.6578 -18.6578 -18.5107 -18.5107 -18.4970 -18.4970 -18.4803 -18.4803 -18.4380 -18.4380 -3.0460 -3.0460 -2.4610 -2.4610 -2.4112 -2.4112 -2.1177 -2.1177 -1.8920 -1.8920 -1.7151 -1.7151 -1.5709 -1.5709 -1.2293 -1.2293 -1.1778 -1.1778 -0.0311 -0.0311 0.2212 0.2212 0.2870 0.2870 0.9527 0.9527 1.0470 1.0470 1.1177 1.1177 1.1328 1.1328 1.2951 1.2951 1.4183 1.4183 2.1209 2.1209 2.2680 2.2680 2.3790 2.3790 2.7085 2.7085 2.7902 2.7902 2.9243 2.9243 3.6134 3.6134 3.7423 3.7423 4.8413 4.8413 4.8857 4.8857 11.2146 11.2146 15.1105 15.1105 16.5465 16.5465 k = 0.3000-0.2063-0.1412 ( 3468 PWs) bands (ev): -19.3426 -19.3426 -18.6727 -18.6727 -18.5116 -18.5116 -18.4974 -18.4974 -18.4806 -18.4806 -18.4386 -18.4386 -3.0259 -3.0259 -2.4573 -2.4573 -2.4009 -2.4009 -2.1408 -2.1408 -1.8878 -1.8878 -1.7162 -1.7162 -1.5597 -1.5597 -1.2074 -1.2074 -1.1698 -1.1698 -0.0664 -0.0664 0.1881 0.1881 0.2484 0.2484 0.9498 0.9498 1.0532 1.0532 1.1200 1.1200 1.1340 1.1340 1.2955 1.2955 1.4151 1.4151 2.1360 2.1360 2.2872 2.2872 2.3986 2.3986 2.7161 2.7161 2.7960 2.7960 2.9178 2.9178 3.6260 3.6260 3.7605 3.7605 4.8083 4.8083 4.8581 4.8581 11.3056 11.3056 15.0089 15.0089 16.5549 16.5549 k = 0.3125-0.2149-0.1471 ( 3466 PWs) bands (ev): -19.3273 -19.3273 -18.6880 -18.6880 -18.5125 -18.5125 -18.4981 -18.4981 -18.4805 -18.4805 -18.4392 -18.4392 -3.0053 -3.0053 -2.4541 -2.4541 -2.3909 -2.3909 -2.1635 -2.1635 -1.8840 -1.8840 -1.7164 -1.7164 -1.5479 -1.5479 -1.1876 -1.1876 -1.1589 -1.1589 -0.1063 -0.1063 0.1554 0.1554 0.2118 0.2118 0.9476 0.9476 1.0601 1.0601 1.1216 1.1216 1.1377 1.1377 1.2959 1.2959 1.4117 1.4117 2.1508 2.1508 2.3060 2.3060 2.4177 2.4177 2.7222 2.7222 2.8003 2.8003 2.9117 2.9117 3.6407 3.6407 3.7798 3.7798 4.7745 4.7745 4.8299 4.8299 11.3982 11.3982 14.9067 14.9067 16.5569 16.5569 k = 0.3250-0.2234-0.1530 ( 3473 PWs) bands (ev): -19.3118 -19.3118 -18.7035 -18.7035 -18.5134 -18.5134 -18.4989 -18.4989 -18.4801 -18.4801 -18.4399 -18.4399 -2.9843 -2.9843 -2.4512 -2.4512 -2.3816 -2.3816 -2.1858 -2.1858 -1.8809 -1.8809 -1.7155 -1.7155 -1.5355 -1.5355 -1.1723 -1.1723 -1.1425 -1.1425 -0.1502 -0.1502 0.1223 0.1223 0.1779 0.1779 0.9460 0.9460 1.0673 1.0673 1.1228 1.1228 1.1431 1.1431 1.2961 1.2961 1.4080 1.4080 2.1652 2.1652 2.3244 2.3244 2.4364 2.4364 2.7268 2.7268 2.8028 2.8028 2.9061 2.9061 3.6573 3.6573 3.8003 3.8003 4.7399 4.7399 4.8013 4.8013 11.4921 11.4921 14.8041 14.8041 16.5534 16.5534 k = 0.3375-0.2320-0.1589 ( 3473 PWs) bands (ev): -19.2961 -19.2961 -18.7193 -18.7193 -18.5143 -18.5143 -18.4998 -18.4998 -18.4794 -18.4794 -18.4407 -18.4407 -2.9631 -2.9631 -2.4487 -2.4487 -2.3732 -2.3732 -2.2070 -2.2070 -1.8787 -1.8787 -1.7132 -1.7132 -1.5226 -1.5226 -1.1611 -1.1611 -1.1209 -1.1209 -0.1971 -0.1971 0.0881 0.0881 0.1474 0.1474 0.9449 0.9449 1.0748 1.0748 1.1241 1.1241 1.1496 1.1496 1.2962 1.2962 1.4041 1.4041 2.1793 2.1793 2.3425 2.3425 2.4545 2.4545 2.7298 2.7298 2.8037 2.8037 2.9011 2.9011 3.6759 3.6759 3.8218 3.8218 4.7048 4.7048 4.7725 4.7725 11.5869 11.5869 14.7014 14.7014 16.5460 16.5460 k = 0.3500-0.2406-0.1648 ( 3477 PWs) bands (ev): -19.2803 -19.2803 -18.7352 -18.7352 -18.5151 -18.5151 -18.5009 -18.5009 -18.4786 -18.4786 -18.4416 -18.4416 -2.9417 -2.9417 -2.4465 -2.4465 -2.3664 -2.3664 -2.2266 -2.2266 -1.8776 -1.8776 -1.7095 -1.7095 -1.5096 -1.5096 -1.1512 -1.1512 -1.0967 -1.0967 -0.2461 -0.2461 0.0524 0.0524 0.1205 0.1205 0.9444 0.9444 1.0823 1.0823 1.1257 1.1257 1.1569 1.1569 1.2961 1.2961 1.4001 1.4001 2.1929 2.1929 2.3602 2.3602 2.4720 2.4720 2.7312 2.7312 2.8032 2.8032 2.8966 2.8966 3.6964 3.6964 3.8442 3.8442 4.6692 4.6692 4.7435 4.7435 11.6824 11.6824 14.5989 14.5989 16.5361 16.5361 k = 0.3625-0.2492-0.1706 ( 3478 PWs) bands (ev): -19.2644 -19.2644 -18.7512 -18.7512 -18.5158 -18.5158 -18.5020 -18.5020 -18.4775 -18.4775 -18.4425 -18.4425 -2.9203 -2.9203 -2.4448 -2.4448 -2.3621 -2.3621 -2.2436 -2.2436 -1.8777 -1.8777 -1.7045 -1.7045 -1.4964 -1.4964 -1.1413 -1.1413 -1.0713 -1.0713 -0.2964 -0.2964 0.0156 0.0156 0.0968 0.0968 0.9442 0.9442 1.0897 1.0897 1.1276 1.1276 1.1646 1.1646 1.2959 1.2959 1.3958 1.3958 2.2059 2.2059 2.3774 2.3774 2.4886 2.4886 2.7310 2.7310 2.8014 2.8014 2.8927 2.8927 3.7186 3.7186 3.8675 3.8675 4.6333 4.6333 4.7144 4.7144 11.7781 11.7781 14.4969 14.4969 16.5252 16.5252 k = 0.3750-0.2578-0.1765 ( 3481 PWs) bands (ev): -19.2487 -19.2487 -18.7671 -18.7671 -18.5165 -18.5165 -18.5031 -18.5031 -18.4764 -18.4764 -18.4435 -18.4435 -2.8988 -2.8988 -2.4434 -2.4434 -2.3617 -2.3617 -2.2567 -2.2567 -1.8789 -1.8789 -1.6982 -1.6982 -1.4835 -1.4835 -1.1306 -1.1306 -1.0452 -1.0452 -0.3472 -0.3472 -0.0216 -0.0216 0.0756 0.0756 0.9444 0.9444 1.0967 1.0967 1.1298 1.1298 1.1727 1.1727 1.2955 1.2955 1.3914 1.3914 2.2183 2.2183 2.3943 2.3943 2.5044 2.5044 2.7294 2.7294 2.7986 2.7986 2.8893 2.8893 3.7423 3.7423 3.8912 3.8912 4.5973 4.5973 4.6855 4.6855 11.8737 11.8737 14.3959 14.3959 16.5141 16.5141 k = 0.3875-0.2664-0.1824 ( 3483 PWs) bands (ev): -19.2331 -19.2331 -18.7828 -18.7828 -18.5170 -18.5170 -18.5042 -18.5042 -18.4751 -18.4751 -18.4445 -18.4445 -2.8775 -2.8775 -2.4425 -2.4425 -2.3663 -2.3663 -2.2645 -2.2645 -1.8811 -1.8811 -1.6911 -1.6911 -1.4711 -1.4711 -1.1189 -1.1189 -1.0188 -1.0188 -0.3979 -0.3979 -0.0585 -0.0585 0.0565 0.0565 0.9448 0.9448 1.1031 1.1031 1.1324 1.1324 1.1809 1.1809 1.2950 1.2950 1.3869 1.3869 2.2300 2.2300 2.4107 2.4107 2.5191 2.5191 2.7266 2.7266 2.7950 2.7950 2.8862 2.8862 3.7673 3.7673 3.9153 3.9153 4.5614 4.5614 4.6569 4.6569 11.9684 11.9684 14.2964 14.2964 16.5037 16.5037 k = 0.4000-0.2750-0.1883 ( 3480 PWs) bands (ev): -19.2178 -19.2178 -18.7982 -18.7982 -18.5176 -18.5176 -18.5052 -18.5052 -18.4738 -18.4738 -18.4456 -18.4456 -2.8566 -2.8566 -2.4421 -2.4421 -2.3756 -2.3756 -2.2672 -2.2672 -1.8839 -1.8839 -1.6833 -1.6833 -1.4595 -1.4595 -1.1059 -1.1059 -0.9922 -0.9922 -0.4482 -0.4482 -0.0945 -0.0945 0.0393 0.0393 0.9455 0.9455 1.1089 1.1089 1.1351 1.1351 1.1892 1.1892 1.2943 1.2943 1.3823 1.3823 2.2408 2.2408 2.4266 2.4266 2.5326 2.5326 2.7230 2.7230 2.7908 2.7908 2.8834 2.8834 3.7932 3.7932 3.9394 3.9394 4.5260 4.5260 4.6289 4.6289 12.0618 12.0618 14.1989 14.1989 16.4944 16.4944 k = 0.4125-0.2836-0.1942 ( 3480 PWs) bands (ev): -19.2031 -19.2031 -18.8130 -18.8130 -18.5180 -18.5180 -18.5062 -18.5062 -18.4725 -18.4725 -18.4467 -18.4467 -2.8363 -2.8363 -2.4426 -2.4426 -2.3879 -2.3879 -2.2661 -2.2661 -1.8873 -1.8873 -1.6754 -1.6754 -1.4489 -1.4489 -1.0915 -1.0915 -0.9658 -0.9658 -0.4974 -0.4974 -0.1289 -0.1289 0.0239 0.0239 0.9462 0.9462 1.1140 1.1140 1.1380 1.1380 1.1973 1.1973 1.2936 1.2936 1.3777 1.3777 2.2507 2.2507 2.4419 2.4419 2.5445 2.5445 2.7190 2.7190 2.7861 2.7861 2.8808 2.8808 3.8196 3.8196 3.9632 3.9632 4.4913 4.4913 4.6018 4.6018 12.1527 12.1527 14.1044 14.1044 16.4866 16.4866 k = 0.4250-0.2922-0.2001 ( 3480 PWs) bands (ev): -19.1891 -19.1891 -18.8270 -18.8270 -18.5183 -18.5183 -18.5071 -18.5071 -18.4712 -18.4712 -18.4477 -18.4477 -2.8168 -2.8168 -2.4445 -2.4445 -2.4007 -2.4007 -2.2630 -2.2630 -1.8908 -1.8908 -1.6675 -1.6675 -1.4395 -1.4395 -1.0759 -1.0759 -0.9396 -0.9396 -0.5452 -0.5452 -0.1612 -0.1612 0.0103 0.0103 0.9470 0.9470 1.1182 1.1182 1.1409 1.1409 1.2052 1.2052 1.2928 1.2928 1.3732 1.3732 2.2595 2.2595 2.4565 2.4565 2.5545 2.5545 2.7150 2.7150 2.7810 2.7810 2.8784 2.8784 3.8460 3.8460 3.9862 3.9862 4.4578 4.4578 4.5761 4.5761 12.2401 12.2401 14.0140 14.0140 16.4805 16.4805 k = 0.4375-0.3008-0.2060 ( 3482 PWs) bands (ev): -19.1762 -19.1762 -18.8400 -18.8400 -18.5186 -18.5186 -18.5079 -18.5079 -18.4699 -18.4699 -18.4488 -18.4488 -2.7986 -2.7986 -2.4488 -2.4488 -2.4116 -2.4116 -2.2591 -2.2591 -1.8943 -1.8943 -1.6602 -1.6602 -1.4316 -1.4316 -1.0593 -1.0593 -0.9141 -0.9141 -0.5911 -0.5911 -0.1907 -0.1907 -0.0014 -0.0014 0.9478 0.9478 1.1217 1.1217 1.1437 1.1437 1.2125 1.2125 1.2919 1.2919 1.3690 1.3690 2.2672 2.2672 2.4702 2.4702 2.5623 2.5623 2.7117 2.7117 2.7757 2.7757 2.8763 2.8763 3.8716 3.8716 4.0078 4.0078 4.4263 4.4263 4.5522 4.5522 12.3223 12.3223 13.9294 13.9294 16.4760 16.4760 k = 0.4500-0.3094-0.2118 ( 3481 PWs) bands (ev): -19.1648 -19.1648 -18.8515 -18.8515 -18.5188 -18.5188 -18.5085 -18.5085 -18.4688 -18.4688 -18.4498 -18.4498 -2.7822 -2.7822 -2.4561 -2.4561 -2.4189 -2.4189 -2.2551 -2.2551 -1.8975 -1.8975 -1.6537 -1.6537 -1.4251 -1.4251 -1.0425 -1.0425 -0.8892 -0.8892 -0.6347 -0.6347 -0.2165 -0.2165 -0.0111 -0.0111 0.9485 0.9485 1.1245 1.1245 1.1461 1.1461 1.2192 1.2192 1.2910 1.2910 1.3652 1.3652 2.2737 2.2737 2.4828 2.4828 2.5677 2.5677 2.7094 2.7094 2.7704 2.7704 2.8745 2.8745 3.8957 3.8957 4.0274 4.0274 4.3974 4.3974 4.5308 4.5308 12.3970 12.3970 13.8527 13.8527 16.4732 16.4732 k = 0.4625-0.3180-0.2177 ( 3477 PWs) bands (ev): -19.1552 -19.1552 -18.8612 -18.8612 -18.5190 -18.5190 -18.5091 -18.5091 -18.4677 -18.4677 -18.4507 -18.4507 -2.7681 -2.7681 -2.4651 -2.4651 -2.4227 -2.4227 -2.2515 -2.2515 -1.9003 -1.9003 -1.6482 -1.6482 -1.4202 -1.4202 -1.0265 -1.0265 -0.8650 -0.8650 -0.6753 -0.6753 -0.2379 -0.2379 -0.0188 -0.0188 0.9491 0.9491 1.1266 1.1266 1.1482 1.1482 1.2249 1.2249 1.2901 1.2901 1.3619 1.3619 2.2788 2.2788 2.4939 2.4939 2.5707 2.5707 2.7084 2.7084 2.7654 2.7654 2.8731 2.8731 3.9170 3.9170 4.0442 4.0442 4.3725 4.3725 4.5128 4.5128 12.4614 12.4614 13.7868 13.7868 16.4717 16.4717 k = 0.4750-0.3266-0.2236 ( 3474 PWs) bands (ev): -19.1478 -19.1478 -18.8685 -18.8685 -18.5191 -18.5191 -18.5095 -18.5095 -18.4669 -18.4669 -18.4515 -18.4515 -2.7571 -2.7571 -2.4734 -2.4734 -2.4245 -2.4245 -2.2488 -2.2488 -1.9024 -1.9024 -1.6442 -1.6442 -1.4167 -1.4167 -1.0129 -1.0129 -0.8413 -0.8413 -0.7122 -0.7122 -0.2539 -0.2539 -0.0243 -0.0243 0.9495 0.9495 1.1280 1.1280 1.1497 1.1497 1.2293 1.2293 1.2894 1.2894 1.3594 1.3594 2.2825 2.2825 2.5029 2.5029 2.5717 2.5717 2.7084 2.7084 2.7611 2.7611 2.8720 2.8720 3.9341 3.9341 4.0571 4.0571 4.3529 4.3529 4.4989 4.4989 12.5118 12.5118 13.7354 13.7354 16.4712 16.4712 k = 0.4875-0.3352-0.2295 ( 3474 PWs) bands (ev): -19.1432 -19.1432 -18.8732 -18.8732 -18.5192 -18.5192 -18.5097 -18.5097 -18.4663 -18.4663 -18.4519 -18.4519 -2.7502 -2.7502 -2.4791 -2.4791 -2.4254 -2.4254 -2.2471 -2.2471 -1.9037 -1.9037 -1.6417 -1.6417 -1.4146 -1.4146 -1.0037 -1.0037 -0.8186 -0.8186 -0.7436 -0.7436 -0.2639 -0.2639 -0.0277 -0.0277 0.9498 0.9498 1.1289 1.1289 1.1507 1.1507 1.2321 1.2321 1.2888 1.2888 1.3578 1.3578 2.2848 2.2848 2.5089 2.5089 2.5716 2.5716 2.7088 2.7088 2.7581 2.7581 2.8713 2.8713 3.9452 3.9452 4.0653 4.0653 4.3402 4.3402 4.4902 4.4902 12.5442 12.5442 13.7023 13.7023 16.4712 16.4712 k = 0.5000-0.3438-0.2354 ( 3474 PWs) bands (ev): -19.1417 -19.1417 -18.8748 -18.8748 -18.5192 -18.5192 -18.5098 -18.5098 -18.4662 -18.4662 -18.4521 -18.4521 -2.7477 -2.7477 -2.4812 -2.4812 -2.4256 -2.4256 -2.2465 -2.2465 -1.9041 -1.9041 -1.6408 -1.6408 -1.4139 -1.4139 -1.0003 -1.0003 -0.8053 -0.8053 -0.7599 -0.7599 -0.2673 -0.2673 -0.0288 -0.0288 0.9499 0.9499 1.1292 1.1292 1.1510 1.1510 1.2331 1.2331 1.2886 1.2886 1.3573 1.3573 2.2855 2.2855 2.5110 2.5110 2.5714 2.5714 2.7090 2.7090 2.7570 2.7570 2.8711 2.8711 3.9491 3.9491 4.0682 4.0682 4.3358 4.3358 4.4872 4.4872 12.5555 12.5555 13.6908 13.6908 16.4713 16.4713 k = 0.5000-0.3438-0.2354 ( 3474 PWs) bands (ev): -19.1417 -19.1417 -18.8748 -18.8748 -18.5192 -18.5192 -18.5098 -18.5098 -18.4662 -18.4662 -18.4521 -18.4521 -2.7477 -2.7477 -2.4812 -2.4812 -2.4256 -2.4256 -2.2465 -2.2465 -1.9041 -1.9041 -1.6408 -1.6408 -1.4139 -1.4139 -1.0003 -1.0003 -0.8053 -0.8053 -0.7599 -0.7599 -0.2673 -0.2673 -0.0288 -0.0288 0.9499 0.9499 1.1292 1.1292 1.1510 1.1510 1.2331 1.2331 1.2886 1.2886 1.3573 1.3573 2.2855 2.2855 2.5110 2.5110 2.5714 2.5714 2.7090 2.7090 2.7570 2.7570 2.8711 2.8711 3.9491 3.9491 4.0682 4.0682 4.3358 4.3358 4.4872 4.4872 12.5555 12.5555 13.6908 13.6908 16.4713 16.4713 k = 0.5000-0.3346-0.2488 ( 3472 PWs) bands (ev): -19.1415 -19.1415 -18.8746 -18.8746 -18.5194 -18.5194 -18.5100 -18.5100 -18.4661 -18.4661 -18.4521 -18.4521 -2.7481 -2.7481 -2.4911 -2.4911 -2.4185 -2.4185 -2.2437 -2.2437 -1.9032 -1.9032 -1.6400 -1.6400 -1.4137 -1.4137 -1.0031 -1.0031 -0.8118 -0.8118 -0.7517 -0.7517 -0.2654 -0.2654 -0.0279 -0.0279 0.9487 0.9487 1.1240 1.1240 1.1546 1.1546 1.2328 1.2328 1.2885 1.2885 1.3570 1.3570 2.2857 2.2857 2.5105 2.5105 2.5710 2.5710 2.7068 2.7068 2.7595 2.7595 2.8718 2.8718 3.9477 3.9477 4.0652 4.0652 4.3387 4.3387 4.4885 4.4885 12.5566 12.5566 13.6922 13.6922 16.4615 16.4615 k = 0.5000-0.3254-0.2622 ( 3474 PWs) bands (ev): -19.1409 -19.1409 -18.8740 -18.8740 -18.5199 -18.5199 -18.5108 -18.5108 -18.4661 -18.4661 -18.4521 -18.4521 -2.7493 -2.7493 -2.5125 -2.5125 -2.4056 -2.4056 -2.2354 -2.2354 -1.9006 -1.9006 -1.6375 -1.6375 -1.4129 -1.4129 -1.0110 -1.0110 -0.8245 -0.8245 -0.7338 -0.7338 -0.2599 -0.2599 -0.0254 -0.0254 0.9449 0.9449 1.1129 1.1129 1.1608 1.1608 1.2320 1.2320 1.2880 1.2880 1.3561 1.3561 2.2860 2.2860 2.5090 2.5090 2.5699 2.5699 2.7011 2.7011 2.7657 2.7657 2.8738 2.8738 3.9437 3.9437 4.0565 4.0565 4.3473 4.3473 4.4927 4.4927 12.5599 12.5599 13.6962 13.6962 16.4359 16.4359 k = 0.5000-0.3162-0.2756 ( 3470 PWs) bands (ev): -19.1400 -19.1400 -18.8731 -18.8731 -18.5208 -18.5208 -18.5121 -18.5121 -18.4660 -18.4660 -18.4520 -18.4520 -2.7513 -2.7513 -2.5379 -2.5379 -2.3939 -2.3939 -2.2218 -2.2218 -1.8962 -1.8962 -1.6334 -1.6334 -1.4116 -1.4116 -1.0236 -1.0236 -0.8379 -0.8379 -0.7123 -0.7123 -0.2507 -0.2507 -0.0211 -0.0211 0.9388 0.9388 1.0992 1.0992 1.1665 1.1665 1.2307 1.2307 1.2871 1.2871 1.3546 1.3546 2.2866 2.2866 2.5065 2.5065 2.5680 2.5680 2.6938 2.6938 2.7739 2.7739 2.8771 2.8771 3.9372 3.9372 4.0432 4.0432 4.3603 4.3603 4.4993 4.4993 12.5654 12.5654 13.7029 13.7029 16.4004 16.4004 k = 0.5000-0.3071-0.2890 ( 3472 PWs) bands (ev): -19.1387 -19.1387 -18.8719 -18.8719 -18.5220 -18.5220 -18.5138 -18.5138 -18.4659 -18.4659 -18.4519 -18.4519 -2.7540 -2.7540 -2.5649 -2.5649 -2.3855 -2.3855 -2.2037 -2.2037 -1.8900 -1.8900 -1.6277 -1.6277 -1.4099 -1.4099 -1.0399 -1.0399 -0.8506 -0.8506 -0.6892 -0.6892 -0.2382 -0.2382 -0.0152 -0.0152 0.9302 0.9302 1.0836 1.0836 1.1709 1.1709 1.2289 1.2289 1.2859 1.2859 1.3525 1.3525 2.2873 2.2873 2.5032 2.5032 2.5652 2.5652 2.6862 2.6862 2.7830 2.7830 2.8815 2.8815 3.9285 3.9285 4.0265 4.0265 4.3766 4.3766 4.5083 4.5083 12.5730 12.5730 13.7123 13.7123 16.3583 16.3583 k = 0.5000-0.2979-0.3024 ( 3470 PWs) bands (ev): -19.1371 -19.1371 -18.8703 -18.8703 -18.5236 -18.5236 -18.5160 -18.5160 -18.4657 -18.4657 -18.4518 -18.4518 -2.7577 -2.7577 -2.5923 -2.5923 -2.3801 -2.3801 -2.1823 -2.1823 -1.8818 -1.8818 -1.6203 -1.6203 -1.4079 -1.4079 -1.0590 -1.0590 -0.8624 -0.8624 -0.6652 -0.6652 -0.2227 -0.2227 -0.0076 -0.0076 0.9193 0.9193 1.0666 1.0666 1.1736 1.1736 1.2266 1.2266 1.2843 1.2843 1.3497 1.3497 2.2881 2.2881 2.4991 2.4991 2.5613 2.5613 2.6789 2.6789 2.7925 2.7925 2.8869 2.8869 3.9179 3.9179 4.0075 4.0075 4.3953 4.3953 4.5192 4.5192 12.5829 12.5829 13.7243 13.7243 16.3117 16.3117 k = 0.5000-0.2887-0.3158 ( 3474 PWs) bands (ev): -19.1351 -19.1351 -18.8683 -18.8683 -18.5256 -18.5256 -18.5187 -18.5187 -18.4655 -18.4655 -18.4517 -18.4517 -2.7622 -2.7622 -2.6196 -2.6196 -2.3772 -2.3772 -2.1591 -2.1591 -1.8716 -1.8716 -1.6114 -1.6114 -1.4056 -1.4056 -1.0801 -1.0801 -0.8733 -0.8733 -0.6406 -0.6406 -0.2045 -0.2045 0.0014 0.0014 0.9063 0.9063 1.0483 1.0483 1.1746 1.1746 1.2237 1.2237 1.2823 1.2823 1.3464 1.3464 2.2889 2.2889 2.4943 2.4943 2.5563 2.5563 2.6724 2.6724 2.8021 2.8021 2.8932 2.8932 3.9057 3.9057 3.9870 3.9870 4.4153 4.4153 4.5317 4.5317 12.5948 12.5948 13.7391 13.7391 16.2615 16.2615 k = 0.5000-0.2795-0.3292 ( 3478 PWs) bands (ev): -19.1328 -19.1328 -18.8661 -18.8661 -18.5279 -18.5279 -18.5218 -18.5218 -18.4653 -18.4653 -18.4515 -18.4515 -2.7678 -2.7678 -2.6462 -2.6462 -2.3760 -2.3760 -2.1352 -2.1352 -1.8591 -1.8591 -1.6008 -1.6008 -1.4031 -1.4031 -1.1024 -1.1024 -0.8834 -0.8834 -0.6159 -0.6159 -0.1840 -0.1840 0.0119 0.0119 0.8912 0.8912 1.0289 1.0289 1.1738 1.1738 1.2204 1.2204 1.2800 1.2800 1.3424 1.3424 2.2896 2.2896 2.4890 2.4890 2.5502 2.5502 2.6667 2.6667 2.8116 2.8116 2.9001 2.9001 3.8924 3.8924 3.9657 3.9657 4.4362 4.4362 4.5456 4.5456 12.6089 12.6089 13.7565 13.7565 16.2086 16.2086 k = 0.5000-0.2704-0.3426 ( 3482 PWs) bands (ev): -19.1302 -19.1302 -18.8635 -18.8635 -18.5306 -18.5306 -18.5253 -18.5253 -18.4650 -18.4650 -18.4513 -18.4513 -2.7745 -2.7745 -2.6718 -2.6718 -2.3760 -2.3760 -2.1118 -2.1118 -1.8442 -1.8442 -1.5889 -1.5889 -1.4006 -1.4006 -1.1254 -1.1254 -0.8924 -0.8924 -0.5911 -0.5911 -0.1614 -0.1614 0.0238 0.0238 0.8742 0.8742 1.0086 1.0086 1.1711 1.1711 1.2165 1.2165 1.2772 1.2772 1.3379 1.3379 2.2902 2.2902 2.4831 2.4831 2.5430 2.5430 2.6619 2.6619 2.8210 2.8210 2.9076 2.9076 3.8783 3.8783 3.9441 3.9441 4.4575 4.4575 4.5604 4.5604 12.6250 12.6250 13.7766 13.7766 16.1534 16.1534 k = 0.5000-0.2612-0.3560 ( 3488 PWs) bands (ev): -19.1272 -19.1272 -18.8605 -18.8605 -18.5338 -18.5338 -18.5292 -18.5292 -18.4646 -18.4646 -18.4510 -18.4510 -2.7828 -2.7828 -2.6957 -2.6957 -2.3769 -2.3769 -2.0897 -2.0897 -1.8266 -1.8266 -1.5755 -1.5755 -1.3982 -1.3982 -1.1487 -1.1487 -0.9003 -0.9003 -0.5663 -0.5663 -0.1371 -0.1371 0.0369 0.0369 0.8554 0.8554 0.9877 0.9877 1.1665 1.1665 1.2121 1.2121 1.2741 1.2741 1.3328 1.3328 2.2905 2.2905 2.4769 2.4769 2.5350 2.5350 2.6580 2.6580 2.8302 2.8302 2.9153 2.9153 3.8637 3.8637 3.9226 3.9226 4.4788 4.4788 4.5758 4.5758 12.6431 12.6431 13.7994 13.7994 16.0965 16.0965 k = 0.5000-0.2520-0.3694 ( 3484 PWs) bands (ev): -19.1240 -19.1240 -18.8573 -18.8573 -18.5373 -18.5373 -18.5334 -18.5334 -18.4642 -18.4642 -18.4507 -18.4507 -2.7930 -2.7930 -2.7174 -2.7174 -2.3782 -2.3782 -2.0696 -2.0696 -1.8062 -1.8062 -1.5610 -1.5610 -1.3958 -1.3958 -1.1718 -1.1718 -0.9070 -0.9070 -0.5416 -0.5416 -0.1116 -0.1116 0.0511 0.0511 0.8351 0.8351 0.9662 0.9662 1.1600 1.1600 1.2069 1.2069 1.2707 1.2707 1.3272 1.3272 2.2905 2.2905 2.4702 2.4702 2.5264 2.5264 2.6547 2.6547 2.8393 2.8393 2.9233 2.9233 3.8489 3.8489 3.9014 3.9014 4.4999 4.4999 4.5917 4.5917 12.6631 12.6631 13.8248 13.8248 16.0383 16.0383 k = 0.5000-0.2428-0.3828 ( 3484 PWs) bands (ev): -19.1205 -19.1205 -18.8537 -18.8537 -18.5412 -18.5412 -18.5380 -18.5380 -18.4638 -18.4638 -18.4504 -18.4504 -2.8056 -2.8056 -2.7363 -2.7363 -2.3798 -2.3798 -2.0518 -2.0518 -1.7829 -1.7829 -1.5454 -1.5454 -1.3937 -1.3937 -1.1945 -1.1945 -0.9122 -0.9122 -0.5171 -0.5171 -0.0850 -0.0850 0.0662 0.0662 0.8134 0.8134 0.9443 0.9443 1.1517 1.1517 1.2010 1.2010 1.2669 1.2669 1.3212 1.3212 2.2902 2.2902 2.4631 2.4631 2.5174 2.5174 2.6519 2.6519 2.8481 2.8481 2.9314 2.9314 3.8341 3.8341 3.8808 3.8808 4.5206 4.5206 4.6078 4.6078 12.6850 12.6850 13.8530 13.8530 15.9790 15.9790 k = 0.5000-0.2337-0.3962 ( 3482 PWs) bands (ev): -19.1168 -19.1168 -18.8499 -18.8499 -18.5455 -18.5455 -18.5427 -18.5427 -18.4632 -18.4632 -18.4501 -18.4501 -2.8208 -2.8208 -2.7521 -2.7521 -2.3816 -2.3816 -2.0364 -2.0364 -1.7571 -1.7571 -1.5293 -1.5293 -1.3917 -1.3917 -1.2164 -1.2164 -0.9158 -0.9158 -0.4926 -0.4926 -0.0578 -0.0578 0.0822 0.0822 0.7905 0.7905 0.9221 0.9221 1.1416 1.1416 1.1941 1.1941 1.2627 1.2627 1.3148 1.3148 2.2895 2.2895 2.4555 2.4555 2.5084 2.5084 2.6495 2.6495 2.8568 2.8568 2.9394 2.9394 3.8196 3.8196 3.8610 3.8610 4.5407 4.5407 4.6238 4.6238 12.7088 12.7088 13.8837 13.8837 15.9191 15.9191 k = 0.5000-0.2245-0.4096 ( 3482 PWs) bands (ev): -19.1129 -19.1129 -18.8457 -18.8457 -18.5502 -18.5502 -18.5477 -18.5477 -18.4626 -18.4626 -18.4497 -18.4497 -2.8380 -2.8380 -2.7652 -2.7652 -2.3834 -2.3834 -2.0234 -2.0234 -1.7289 -1.7289 -1.5129 -1.5129 -1.3896 -1.3896 -1.2375 -1.2375 -0.9177 -0.9177 -0.4683 -0.4683 -0.0303 -0.0303 0.0988 0.0988 0.7668 0.7668 0.8999 0.8999 1.1298 1.1298 1.1864 1.1864 1.2582 1.2582 1.3080 1.3080 2.2885 2.2885 2.4474 2.4474 2.4995 2.4995 2.6472 2.6472 2.8652 2.8652 2.9473 2.9473 3.8055 3.8055 3.8421 3.8421 4.5602 4.5602 4.6395 4.6395 12.7342 12.7342 13.9172 13.9172 15.8587 15.8587 k = 0.5000-0.2153-0.4230 ( 3482 PWs) bands (ev): -19.1087 -19.1087 -18.8414 -18.8414 -18.5553 -18.5553 -18.5529 -18.5529 -18.4620 -18.4620 -18.4492 -18.4492 -2.8565 -2.8565 -2.7761 -2.7761 -2.3851 -2.3851 -2.0127 -2.0127 -1.6990 -1.6990 -1.4970 -1.4970 -1.3872 -1.3872 -1.2573 -1.2573 -0.9177 -0.9177 -0.4440 -0.4440 -0.0028 -0.0028 0.1158 0.1158 0.7426 0.7426 0.8778 0.8778 1.1164 1.1164 1.1775 1.1775 1.2533 1.2533 1.3009 1.3009 2.2870 2.2870 2.4388 2.4388 2.4910 2.4910 2.6449 2.6449 2.8733 2.8733 2.9551 2.9551 3.7920 3.7920 3.8242 3.8242 4.5788 4.5788 4.6550 4.6550 12.7611 12.7611 13.9533 13.9533 15.7982 15.7982 k = 0.5000-0.2061-0.4364 ( 3488 PWs) bands (ev): -19.1045 -19.1045 -18.8368 -18.8368 -18.5607 -18.5607 -18.5583 -18.5583 -18.4613 -18.4613 -18.4487 -18.4487 -2.8755 -2.8755 -2.7857 -2.7857 -2.3867 -2.3867 -2.0038 -2.0038 -1.6679 -1.6679 -1.4825 -1.4825 -1.3837 -1.3837 -1.2757 -1.2757 -0.9158 -0.9158 -0.4197 -0.4197 0.0243 0.0243 0.1330 0.1330 0.7183 0.7183 0.8558 0.8558 1.1016 1.1016 1.1677 1.1677 1.2480 1.2480 1.2935 1.2935 2.2853 2.2853 2.4294 2.4294 2.4831 2.4831 2.6426 2.6426 2.8812 2.8812 2.9626 2.9626 3.7793 3.7793 3.8074 3.8074 4.5966 4.5966 4.6699 4.6699 12.7895 12.7895 13.9920 13.9920 15.7379 15.7379 k = 0.5000-0.1970-0.4498 ( 3488 PWs) bands (ev): -19.1001 -19.1001 -18.8320 -18.8320 -18.5664 -18.5664 -18.5638 -18.5638 -18.4605 -18.4605 -18.4482 -18.4482 -2.8944 -2.8944 -2.7944 -2.7944 -2.3882 -2.3882 -1.9965 -1.9965 -1.6361 -1.6361 -1.4705 -1.4705 -1.3780 -1.3780 -1.2923 -1.2923 -0.9119 -0.9119 -0.3953 -0.3953 0.0506 0.0506 0.1502 0.1502 0.6941 0.6941 0.8341 0.8341 1.0854 1.0854 1.1567 1.1567 1.2424 1.2424 1.2858 1.2858 2.2833 2.2833 2.4195 2.4195 2.4758 2.4758 2.6402 2.6402 2.8888 2.8888 2.9698 2.9698 3.7674 3.7674 3.7919 3.7919 4.6134 4.6134 4.6842 4.6842 12.8192 12.8192 14.0334 14.0334 15.6779 15.6779 k = 0.5000-0.1878-0.4632 ( 3488 PWs) bands (ev): -19.0956 -19.0956 -18.8269 -18.8269 -18.5722 -18.5722 -18.5695 -18.5695 -18.4597 -18.4597 -18.4477 -18.4477 -2.9128 -2.9128 -2.8024 -2.8024 -2.3896 -2.3896 -1.9906 -1.9906 -1.6045 -1.6045 -1.4620 -1.4620 -1.3697 -1.3697 -1.3067 -1.3067 -0.9062 -0.9062 -0.3708 -0.3708 0.0758 0.0758 0.1670 0.1670 0.6708 0.6708 0.8129 0.8129 1.0679 1.0679 1.1447 1.1447 1.2363 1.2363 1.2779 1.2779 2.2811 2.2811 2.4090 2.4090 2.4693 2.4693 2.6377 2.6377 2.8961 2.8961 2.9768 2.9768 3.7563 3.7563 3.7776 3.7776 4.6292 4.6292 4.6978 4.6978 12.8500 12.8500 14.0774 14.0774 15.6186 15.6186 k = 0.5000-0.1786-0.4766 ( 3496 PWs) bands (ev): -19.0911 -19.0911 -18.8218 -18.8218 -18.5782 -18.5782 -18.5754 -18.5754 -18.4589 -18.4589 -18.4471 -18.4471 -2.9305 -2.9305 -2.8099 -2.8099 -2.3908 -2.3908 -1.9859 -1.9859 -1.5741 -1.5741 -1.4568 -1.4568 -1.3594 -1.3594 -1.3177 -1.3177 -0.8987 -0.8987 -0.3461 -0.3461 0.0995 0.0995 0.1829 0.1829 0.6488 0.6488 0.7922 0.7922 1.0494 1.0494 1.1317 1.1317 1.2299 1.2299 1.2697 1.2697 2.2788 2.2788 2.3979 2.3979 2.4635 2.4635 2.6351 2.6351 2.9031 2.9031 2.9834 2.9834 3.7462 3.7462 3.7645 3.7645 4.6439 4.6439 4.7106 4.7106 12.8817 12.8817 14.1240 14.1240 15.5604 15.5604 k = 0.5000-0.1694-0.4900 ( 3496 PWs) bands (ev): -19.0866 -19.0866 -18.8165 -18.8165 -18.5843 -18.5843 -18.5813 -18.5813 -18.4580 -18.4580 -18.4465 -18.4465 -2.9472 -2.9472 -2.8170 -2.8170 -2.3918 -2.3918 -1.9821 -1.9821 -1.5466 -1.5466 -1.4531 -1.4531 -1.3512 -1.3512 -1.3215 -1.3215 -0.8896 -0.8896 -0.3212 -0.3212 0.1212 0.1212 0.1976 0.1976 0.6287 0.6287 0.7721 0.7721 1.0299 1.0299 1.1177 1.1177 1.2231 1.2231 1.2613 1.2613 2.2765 2.2765 2.3864 2.3864 2.4584 2.4584 2.6323 2.6323 2.9097 2.9097 2.9897 2.9897 3.7370 3.7370 3.7527 3.7527 4.6575 4.6575 4.7225 4.7225 12.9140 12.9140 14.1732 14.1732 15.5034 15.5034 k = 0.5000-0.1602-0.5034 ( 3492 PWs) bands (ev): -19.0822 -19.0822 -18.8111 -18.8111 -18.5904 -18.5904 -18.5873 -18.5873 -18.4570 -18.4570 -18.4458 -18.4458 -2.9630 -2.9630 -2.8236 -2.8236 -2.3927 -2.3927 -1.9791 -1.9791 -1.5251 -1.5251 -1.4479 -1.4479 -1.3506 -1.3506 -1.3132 -1.3132 -0.8788 -0.8788 -0.2959 -0.2959 0.1407 0.1407 0.2104 0.2104 0.6114 0.6114 0.7529 0.7529 1.0098 1.0098 1.1027 1.1027 1.2159 1.2159 1.2527 1.2527 2.2742 2.2742 2.3748 2.3748 2.4540 2.4540 2.6295 2.6295 2.9160 2.9160 2.9956 2.9956 3.7288 3.7288 3.7422 3.7422 4.6700 4.6700 4.7335 4.7335 12.9467 12.9467 14.2249 14.2249 15.4480 15.4480 k = 0.5000-0.1511-0.5168 ( 3502 PWs) bands (ev): -19.0779 -19.0779 -18.8057 -18.8057 -18.5966 -18.5966 -18.5931 -18.5931 -18.4561 -18.4561 -18.4452 -18.4452 -2.9777 -2.9777 -2.8298 -2.8298 -2.3935 -2.3935 -1.9767 -1.9767 -1.5129 -1.5129 -1.4386 -1.4386 -1.3521 -1.3521 -1.2980 -1.2980 -0.8667 -0.8667 -0.2702 -0.2702 0.1575 0.1575 0.2205 0.2205 0.5975 0.5975 0.7346 0.7346 0.9892 0.9892 1.0868 1.0868 1.2083 1.2083 1.2440 1.2440 2.2719 2.2719 2.3630 2.3630 2.4502 2.4502 2.6267 2.6267 2.9219 2.9219 3.0012 3.0012 3.7214 3.7214 3.7328 3.7328 4.6813 4.6813 4.7436 4.7436 12.9794 12.9794 14.2791 14.2791 15.3946 15.3946 k = 0.5000-0.1419-0.5302 ( 3494 PWs) bands (ev): -19.0737 -19.0737 -18.8003 -18.8003 -18.6028 -18.6028 -18.5988 -18.5988 -18.4550 -18.4550 -18.4445 -18.4445 -2.9912 -2.9912 -2.8355 -2.8355 -2.3941 -2.3941 -1.9749 -1.9749 -1.5095 -1.5095 -1.4272 -1.4272 -1.3490 -1.3490 -1.2809 -1.2809 -0.8533 -0.8533 -0.2440 -0.2440 0.1714 0.1714 0.2274 0.2274 0.5878 0.5878 0.7172 0.7172 0.9684 0.9684 1.0702 1.0702 1.2003 1.2003 1.2353 1.2353 2.2698 2.2698 2.3514 2.3514 2.4470 2.4470 2.6241 2.6241 2.9275 2.9275 3.0063 3.0063 3.7150 3.7150 3.7247 3.7247 4.6915 4.6915 4.7527 4.7527 13.0117 13.0117 14.3359 14.3359 15.3437 15.3437 k = 0.5000-0.1327-0.5436 ( 3496 PWs) bands (ev): -19.0698 -19.0698 -18.7949 -18.7949 -18.6090 -18.6090 -18.6042 -18.6042 -18.4540 -18.4540 -18.4438 -18.4438 -3.0036 -3.0036 -2.8408 -2.8408 -2.3946 -2.3946 -1.9735 -1.9735 -1.5116 -1.5116 -1.4193 -1.4193 -1.3383 -1.3383 -1.2637 -1.2637 -0.8388 -0.8388 -0.2173 -0.2173 0.1820 0.1820 0.2307 0.2307 0.5825 0.5825 0.7007 0.7007 0.9478 0.9478 1.0528 1.0528 1.1920 1.1920 1.2266 1.2266 2.2677 2.2677 2.3402 2.3402 2.4445 2.4445 2.6216 2.6216 2.9326 2.9326 3.0111 3.0111 3.7095 3.7095 3.7178 3.7178 4.7004 4.7004 4.7607 4.7607 13.0433 13.0433 14.3951 14.3951 15.2956 15.2956 k = 0.5000-0.1235-0.5570 ( 3494 PWs) bands (ev): -19.0661 -19.0661 -18.7898 -18.7898 -18.6151 -18.6151 -18.6092 -18.6092 -18.4529 -18.4529 -18.4431 -18.4431 -3.0147 -3.0147 -2.8455 -2.8455 -2.3951 -2.3951 -1.9724 -1.9724 -1.5161 -1.5161 -1.4169 -1.4169 -1.3206 -1.3206 -1.2468 -1.2468 -0.8235 -0.8235 -0.1900 -0.1900 0.1889 0.1889 0.2306 0.2306 0.5817 0.5817 0.6851 0.6851 0.9276 0.9276 1.0349 1.0349 1.1834 1.1834 1.2181 1.2181 2.2657 2.2657 2.3296 2.3296 2.4425 2.4425 2.6193 2.6193 2.9372 2.9372 3.0154 3.0154 3.7047 3.7047 3.7119 3.7119 4.7082 4.7082 4.7677 4.7677 13.0737 13.0737 14.4567 14.4567 15.2508 15.2508 k = 0.5000-0.1144-0.5704 ( 3490 PWs) bands (ev): -19.0628 -19.0628 -18.7849 -18.7849 -18.6210 -18.6210 -18.6139 -18.6139 -18.4519 -18.4519 -18.4423 -18.4423 -3.0246 -3.0246 -2.8497 -2.8497 -2.3954 -2.3954 -1.9717 -1.9717 -1.5215 -1.5215 -1.4177 -1.4177 -1.2994 -1.2994 -1.2309 -1.2309 -0.8074 -0.8074 -0.1620 -0.1620 0.1916 0.1916 0.2280 0.2280 0.5848 0.5848 0.6701 0.6701 0.9083 0.9083 1.0165 1.0165 1.1746 1.1746 1.2097 1.2097 2.2635 2.2635 2.3201 2.3201 2.4410 2.4410 2.6175 2.6175 2.9414 2.9414 3.0193 3.0193 3.7007 3.7007 3.7071 3.7071 4.7147 4.7147 4.7736 4.7736 13.1024 13.1024 14.5205 14.5205 15.2099 15.2099 k = 0.5000-0.1052-0.5838 ( 3494 PWs) bands (ev): -19.0598 -19.0598 -18.7804 -18.7804 -18.6265 -18.6265 -18.6181 -18.6181 -18.4508 -18.4508 -18.4416 -18.4416 -3.0331 -3.0331 -2.8532 -2.8532 -2.3958 -2.3958 -1.9712 -1.9712 -1.5270 -1.5270 -1.4200 -1.4200 -1.2778 -1.2778 -1.2161 -1.2161 -0.7908 -0.7908 -0.1334 -0.1334 0.1896 0.1896 0.2239 0.2239 0.5908 0.5908 0.6555 0.6555 0.8903 0.8903 0.9980 0.9980 1.1658 1.1658 1.2017 1.2017 2.2609 2.2609 2.3121 2.3121 2.4401 2.4401 2.6160 2.6160 2.9451 2.9451 3.0227 3.0227 3.6973 3.6973 3.7033 3.7033 4.7200 4.7200 4.7784 4.7784 13.1287 13.1287 14.5866 14.5866 15.1735 15.1735 k = 0.5000-0.0960-0.5972 ( 3492 PWs) bands (ev): -19.0573 -19.0573 -18.7765 -18.7765 -18.6314 -18.6314 -18.6218 -18.6218 -18.4497 -18.4497 -18.4409 -18.4409 -3.0404 -3.0404 -2.8562 -2.8562 -2.3961 -2.3961 -1.9709 -1.9709 -1.5323 -1.5323 -1.4225 -1.4225 -1.2573 -1.2573 -1.2025 -1.2025 -0.7738 -0.7738 -0.1041 -0.1041 0.1831 0.1831 0.2191 0.2191 0.5982 0.5982 0.6413 0.6413 0.8743 0.8743 0.9795 0.9795 1.1571 1.1571 1.1940 1.1940 2.2577 2.2577 2.3061 2.3061 2.4398 2.4398 2.6151 2.6151 2.9482 2.9482 3.0256 3.0256 3.6946 3.6946 3.7005 3.7005 4.7242 4.7242 4.7821 4.7821 13.1522 13.1522 14.6547 14.6547 15.1422 15.1422 k = 0.5000-0.0868-0.6106 ( 3488 PWs) bands (ev): -19.0554 -19.0554 -18.7732 -18.7732 -18.6357 -18.6357 -18.6249 -18.6249 -18.4485 -18.4485 -18.4401 -18.4401 -3.0463 -3.0463 -2.8584 -2.8584 -2.3965 -2.3965 -1.9707 -1.9707 -1.5369 -1.5369 -1.4250 -1.4250 -1.2390 -1.2390 -1.1902 -1.1902 -0.7568 -0.7568 -0.0741 -0.0741 0.1735 0.1735 0.2135 0.2135 0.6040 0.6040 0.6285 0.6285 0.8605 0.8605 0.9614 0.9614 1.1488 1.1488 1.1868 1.1868 2.2537 2.2537 2.3024 2.3024 2.4399 2.4399 2.6147 2.6147 2.9508 2.9508 3.0280 3.0280 3.6926 3.6926 3.6984 3.6984 4.7271 4.7271 4.7847 4.7847 13.1721 13.1721 14.7246 14.7246 15.1165 15.1165 k = 0.5000-0.0777-0.6240 ( 3490 PWs) bands (ev): -19.0539 -19.0539 -18.7709 -18.7709 -18.6391 -18.6391 -18.6274 -18.6274 -18.4474 -18.4474 -18.4394 -18.4394 -3.0509 -3.0509 -2.8599 -2.8599 -2.3969 -2.3969 -1.9706 -1.9706 -1.5408 -1.5408 -1.4270 -1.4270 -1.2236 -1.2236 -1.1792 -1.1792 -0.7398 -0.7398 -0.0436 -0.0436 0.1621 0.1621 0.2067 0.2067 0.5992 0.5992 0.6246 0.6246 0.8494 0.8494 0.9440 0.9440 1.1411 1.1411 1.1802 1.1802 2.2491 2.2491 2.3010 2.3010 2.4406 2.4406 2.6149 2.6149 2.9529 2.9529 3.0300 3.0300 3.6911 3.6911 3.6972 3.6972 4.7289 4.7289 4.7863 4.7863 13.1879 13.1879 14.7956 14.7956 15.0969 15.0969 k = 0.5000-0.0685-0.6374 ( 3488 PWs) bands (ev): -19.0531 -19.0531 -18.7695 -18.7695 -18.6415 -18.6415 -18.6292 -18.6292 -18.4463 -18.4463 -18.4387 -18.4387 -3.0540 -3.0540 -2.8606 -2.8606 -2.3974 -2.3974 -1.9706 -1.9706 -1.5438 -1.5438 -1.4284 -1.4284 -1.2115 -1.2115 -1.1697 -1.1697 -0.7233 -0.7233 -0.0128 -0.0128 0.1501 0.1501 0.1987 0.1987 0.5832 0.5832 0.6287 0.6287 0.8411 0.8411 0.9279 0.9279 1.1341 1.1341 1.1743 1.1743 2.2443 2.2443 2.3017 2.3017 2.4418 2.4418 2.6158 2.6158 2.9543 2.9543 3.0314 3.0314 3.6903 3.6903 3.6966 3.6966 4.7295 4.7295 4.7867 4.7867 13.1991 13.1991 14.8662 14.8662 15.0834 15.0834 k = 0.5000-0.0593-0.6508 ( 3488 PWs) bands (ev): -19.0528 -19.0528 -18.7694 -18.7694 -18.6427 -18.6427 -18.6304 -18.6304 -18.4452 -18.4452 -18.4380 -18.4380 -3.0559 -3.0559 -2.8606 -2.8606 -2.3979 -2.3979 -1.9706 -1.9706 -1.5459 -1.5459 -1.4291 -1.4291 -1.2028 -1.2028 -1.1619 -1.1619 -0.7074 -0.7074 0.0179 0.0179 0.1385 0.1385 0.1899 0.1899 0.5632 0.5632 0.6324 0.6324 0.8355 0.8355 0.9137 0.9137 1.1280 1.1280 1.1692 1.1692 2.2398 2.2398 2.3040 2.3040 2.4435 2.4435 2.6174 2.6174 2.9552 2.9552 3.0323 3.0323 3.6900 3.6900 3.6966 3.6966 4.7291 4.7291 4.7861 4.7861 13.2051 13.2051 14.9301 14.9301 15.0738 15.0738 k = 0.7656 0.0804-0.2907 ( 3488 PWs) bands (ev): -19.0528 -19.0528 -18.7694 -18.7694 -18.6425 -18.6425 -18.6306 -18.6306 -18.4455 -18.4455 -18.4377 -18.4377 -3.0559 -3.0559 -2.8606 -2.8606 -2.3979 -2.3979 -1.9706 -1.9706 -1.5460 -1.5460 -1.4290 -1.4290 -1.2028 -1.2028 -1.1619 -1.1619 -0.7075 -0.7075 0.0180 0.0180 0.1384 0.1384 0.1899 0.1899 0.5633 0.5633 0.6323 0.6323 0.8356 0.8356 0.9136 0.9136 1.1283 1.1283 1.1690 1.1690 2.2398 2.2398 2.3041 2.3041 2.4435 2.4435 2.6173 2.6173 2.9552 2.9552 3.0323 3.0323 3.6900 3.6900 3.6966 3.6966 4.7290 4.7290 4.7862 4.7862 13.2051 13.2051 14.9301 14.9301 15.0738 15.0738 k = 0.7580 0.0856-0.2772 ( 3488 PWs) bands (ev): -19.0532 -19.0532 -18.7705 -18.7705 -18.6424 -18.6424 -18.6310 -18.6310 -18.4444 -18.4444 -18.4370 -18.4370 -3.0563 -3.0563 -2.8598 -2.8598 -2.3985 -2.3985 -1.9707 -1.9707 -1.5472 -1.5472 -1.4290 -1.4290 -1.1974 -1.1974 -1.1562 -1.1562 -0.6926 -0.6926 0.0474 0.0474 0.1279 0.1279 0.1813 0.1813 0.5409 0.5409 0.6333 0.6333 0.8320 0.8320 0.9021 0.9021 1.1232 1.1232 1.1649 1.1649 2.2360 2.2360 2.3078 2.3078 2.4457 2.4457 2.6196 2.6196 2.9554 2.9554 3.0327 3.0327 3.6904 3.6904 3.6972 3.6972 4.7275 4.7275 4.7845 4.7845 13.2058 13.2058 14.9554 14.9554 15.0676 15.0676 k = 0.7504 0.0908-0.2638 ( 3486 PWs) bands (ev): -19.0542 -19.0542 -18.7729 -18.7729 -18.6410 -18.6410 -18.6307 -18.6307 -18.4433 -18.4433 -18.4363 -18.4363 -3.0553 -3.0553 -2.8580 -2.8580 -2.3992 -2.3992 -1.9707 -1.9707 -1.5474 -1.5474 -1.4281 -1.4281 -1.1950 -1.1950 -1.1528 -1.1528 -0.6792 -0.6792 0.0725 0.0725 0.1195 0.1195 0.1756 0.1756 0.5165 0.5165 0.6305 0.6305 0.8298 0.8298 0.8940 0.8940 1.1193 1.1193 1.1620 1.1620 2.2332 2.2332 2.3128 2.3128 2.4484 2.4484 2.6225 2.6225 2.9550 2.9550 3.0325 3.0325 3.6913 3.6913 3.6983 3.6983 4.7248 4.7248 4.7818 4.7818 13.2008 13.2008 14.9069 14.9069 15.0859 15.0859 k = 0.7428 0.0960-0.2503 ( 3482 PWs) bands (ev): -19.0559 -19.0559 -18.7763 -18.7763 -18.6385 -18.6385 -18.6297 -18.6297 -18.4423 -18.4423 -18.4357 -18.4357 -3.0529 -3.0529 -2.8554 -2.8554 -2.3999 -2.3999 -1.9707 -1.9707 -1.5467 -1.5467 -1.4265 -1.4265 -1.1955 -1.1955 -1.1519 -1.1519 -0.6676 -0.6676 0.0863 0.0863 0.1145 0.1145 0.1788 0.1788 0.4905 0.4905 0.6239 0.6239 0.8278 0.8278 0.8903 0.8903 1.1164 1.1164 1.1605 1.1605 2.2316 2.2316 2.3188 2.3188 2.4516 2.4516 2.6261 2.6261 2.9540 2.9540 3.0317 3.0317 3.6927 3.6927 3.7000 3.7000 4.7212 4.7212 4.7780 4.7780 13.1902 13.1902 14.8326 14.8326 15.1081 15.1081 k = 0.7352 0.1013-0.2369 ( 3484 PWs) bands (ev): -19.0582 -19.0582 -18.7808 -18.7808 -18.6351 -18.6351 -18.6280 -18.6280 -18.4413 -18.4413 -18.4351 -18.4351 -3.0490 -3.0490 -2.8519 -2.8519 -2.4008 -2.4008 -1.9707 -1.9707 -1.5451 -1.5451 -1.4240 -1.4240 -1.1987 -1.1987 -1.1538 -1.1538 -0.6581 -0.6581 0.0861 0.0861 0.1102 0.1102 0.1965 0.1965 0.4632 0.4632 0.6135 0.6135 0.8256 0.8256 0.8909 0.8909 1.1144 1.1144 1.1605 1.1605 2.2314 2.2314 2.3257 2.3257 2.4553 2.4553 2.6303 2.6303 2.9523 2.9523 3.0303 3.0303 3.6947 3.6947 3.7022 3.7022 4.7166 4.7166 4.7732 4.7732 13.1741 13.1741 14.7528 14.7528 15.1354 15.1354 k = 0.7277 0.1065-0.2234 ( 3488 PWs) bands (ev): -19.0610 -19.0610 -18.7860 -18.7860 -18.6308 -18.6308 -18.6255 -18.6255 -18.4403 -18.4403 -18.4345 -18.4345 -3.0438 -3.0438 -2.8475 -2.8475 -2.4019 -2.4019 -1.9707 -1.9707 -1.5427 -1.5427 -1.4206 -1.4206 -1.2042 -1.2042 -1.1583 -1.1583 -0.6511 -0.6511 0.0788 0.0788 0.1037 0.1037 0.2246 0.2246 0.4348 0.4348 0.5998 0.5998 0.8231 0.8231 0.8952 0.8952 1.1132 1.1132 1.1621 1.1621 2.2326 2.2326 2.3335 2.3335 2.4595 2.4595 2.6351 2.6351 2.9500 2.9500 3.0284 3.0284 3.6971 3.6971 3.7050 3.7050 4.7110 4.7110 4.7674 4.7674 13.1528 13.1528 14.6716 14.6716 15.1695 15.1695 k = 0.7201 0.1117-0.2100 ( 3488 PWs) bands (ev): -19.0645 -19.0645 -18.7919 -18.7919 -18.6259 -18.6259 -18.6222 -18.6222 -18.4394 -18.4394 -18.4339 -18.4339 -3.0371 -3.0371 -2.8421 -2.8421 -2.4030 -2.4030 -1.9706 -1.9706 -1.5396 -1.5396 -1.4165 -1.4165 -1.2119 -1.2119 -1.1653 -1.1653 -0.6469 -0.6469 0.0675 0.0675 0.0976 0.0976 0.2575 0.2575 0.4056 0.4056 0.5836 0.5836 0.8208 0.8208 0.9023 0.9023 1.1128 1.1128 1.1653 1.1653 2.2352 2.2352 2.3419 2.3419 2.4642 2.4642 2.6404 2.6404 2.9470 2.9470 3.0259 3.0259 3.7001 3.7001 3.7083 3.7083 4.7046 4.7046 4.7607 4.7607 13.1269 13.1269 14.5902 14.5902 15.2102 15.2102 k = 0.7125 0.1169-0.1965 ( 3484 PWs) bands (ev): -19.0684 -19.0684 -18.7983 -18.7983 -18.6208 -18.6208 -18.6180 -18.6180 -18.4385 -18.4385 -18.4334 -18.4334 -3.0290 -3.0290 -2.8357 -2.8357 -2.4042 -2.4042 -1.9705 -1.9705 -1.5359 -1.5359 -1.4116 -1.4116 -1.2218 -1.2218 -1.1745 -1.1745 -0.6455 -0.6455 0.0532 0.0532 0.0933 0.0933 0.2923 0.2923 0.3759 0.3759 0.5655 0.5655 0.8191 0.8191 0.9113 0.9113 1.1132 1.1132 1.1700 1.1700 2.2394 2.2394 2.3511 2.3511 2.4693 2.4693 2.6463 2.6463 2.9434 2.9434 3.0229 3.0229 3.7036 3.7036 3.7122 3.7122 4.6973 4.6973 4.7530 4.7530 13.0966 13.0966 14.5090 14.5090 15.2574 15.2574 k = 0.7049 0.1221-0.1831 ( 3480 PWs) bands (ev): -19.0727 -19.0727 -18.8051 -18.8051 -18.6158 -18.6158 -18.6128 -18.6128 -18.4377 -18.4377 -18.4330 -18.4330 -3.0194 -3.0194 -2.8283 -2.8283 -2.4056 -2.4056 -1.9703 -1.9703 -1.5319 -1.5319 -1.4060 -1.4060 -1.2336 -1.2336 -1.1856 -1.1856 -0.6472 -0.6472 0.0369 0.0369 0.0904 0.0904 0.3265 0.3265 0.3475 0.3475 0.5462 0.5462 0.8184 0.8184 0.9215 0.9215 1.1142 1.1142 1.1758 1.1758 2.2450 2.2450 2.3607 2.3607 2.4749 2.4749 2.6526 2.6526 2.9391 2.9391 3.0193 3.0193 3.7077 3.7077 3.7167 3.7167 4.6891 4.6891 4.7445 4.7445 13.0627 13.0627 14.4286 14.4286 15.3104 15.3104 k = 0.6973 0.1274-0.1696 ( 3482 PWs) bands (ev): -19.0775 -19.0775 -18.8120 -18.8120 -18.6108 -18.6108 -18.6067 -18.6067 -18.4370 -18.4370 -18.4326 -18.4326 -3.0085 -3.0085 -2.8200 -2.8200 -2.4070 -2.4070 -1.9701 -1.9701 -1.5279 -1.5279 -1.3998 -1.3998 -1.2472 -1.2472 -1.1979 -1.1979 -0.6517 -0.6517 0.0194 0.0194 0.0880 0.0880 0.3134 0.3134 0.3662 0.3662 0.5264 0.5264 0.8188 0.8188 0.9326 0.9326 1.1161 1.1161 1.1827 1.1827 2.2520 2.2520 2.3706 2.3706 2.4809 2.4809 2.6593 2.6593 2.9342 2.9342 3.0151 3.0151 3.7123 3.7123 3.7217 3.7217 4.6803 4.6803 4.7350 4.7350 13.0257 13.0257 14.3490 14.3490 15.3689 15.3689 k = 0.6897 0.1326-0.1562 ( 3476 PWs) bands (ev): -19.0826 -19.0826 -18.8192 -18.8192 -18.6056 -18.6056 -18.6003 -18.6003 -18.4363 -18.4363 -18.4322 -18.4322 -2.9961 -2.9961 -2.8106 -2.8106 -2.4085 -2.4085 -1.9698 -1.9698 -1.5243 -1.5243 -1.3934 -1.3934 -1.2623 -1.2623 -1.2108 -1.2108 -0.6591 -0.6591 0.0013 0.0013 0.0855 0.0855 0.2831 0.2831 0.4019 0.4019 0.5070 0.5070 0.8205 0.8205 0.9444 0.9444 1.1188 1.1188 1.1903 1.1903 2.2603 2.2603 2.3809 2.3809 2.4874 2.4874 2.6662 2.6662 2.9286 2.9286 3.0105 3.0105 3.7175 3.7175 3.7274 3.7274 4.6707 4.6707 4.7248 4.7248 12.9861 12.9861 14.2706 14.2706 15.4321 15.4321 k = 0.6821 0.1378-0.1427 ( 3476 PWs) bands (ev): -19.0880 -19.0880 -18.8264 -18.8264 -18.6000 -18.6000 -18.5936 -18.5936 -18.4357 -18.4357 -18.4319 -18.4319 -2.9824 -2.9824 -2.8003 -2.8003 -2.4102 -2.4102 -1.9695 -1.9695 -1.5214 -1.5214 -1.3874 -1.3874 -1.2785 -1.2785 -1.2235 -1.2235 -0.6691 -0.6691 -0.0172 -0.0172 0.0819 0.0819 0.2524 0.2524 0.4361 0.4361 0.4897 0.4897 0.8235 0.8235 0.9568 0.9568 1.1223 1.1223 1.1985 1.1985 2.2699 2.2699 2.3914 2.3914 2.4943 2.4943 2.6733 2.6733 2.9224 2.9224 3.0052 3.0052 3.7232 3.7232 3.7338 3.7338 4.6605 4.6605 4.7137 4.7137 12.9444 12.9444 14.1936 14.1936 15.4997 15.4997 k = 0.6745 0.1430-0.1293 ( 3492 PWs) bands (ev): -19.0936 -19.0936 -18.8336 -18.8336 -18.5941 -18.5941 -18.5868 -18.5868 -18.4352 -18.4352 -18.4317 -18.4317 -2.9673 -2.9673 -2.7889 -2.7889 -2.4119 -2.4119 -1.9692 -1.9692 -1.5201 -1.5201 -1.3829 -1.3829 -1.2945 -1.2945 -1.2351 -1.2351 -0.6816 -0.6816 -0.0359 -0.0359 0.0766 0.0766 0.2218 0.2218 0.4563 0.4563 0.4868 0.4868 0.8280 0.8280 0.9697 0.9697 1.1267 1.1267 1.2070 1.2070 2.2806 2.2806 2.4019 2.4019 2.5015 2.5015 2.6805 2.6805 2.9155 2.9155 2.9994 2.9994 3.7296 3.7296 3.7407 3.7407 4.6496 4.6496 4.7018 4.7018 12.9012 12.9012 14.1180 14.1180 15.5711 15.5711 k = 0.6669 0.1482-0.1158 ( 3496 PWs) bands (ev): -19.0994 -19.0994 -18.8408 -18.8408 -18.5880 -18.5880 -18.5800 -18.5800 -18.4347 -18.4347 -18.4315 -18.4315 -2.9509 -2.9509 -2.7765 -2.7765 -2.4136 -2.4136 -1.9688 -1.9688 -1.5208 -1.5208 -1.3826 -1.3826 -1.3076 -1.3076 -1.2448 -1.2448 -0.6962 -0.6962 -0.0546 -0.0546 0.0690 0.0690 0.1915 0.1915 0.4465 0.4465 0.5145 0.5145 0.8339 0.8339 0.9832 0.9832 1.1319 1.1319 1.2158 1.2158 2.2922 2.2922 2.4123 2.4123 2.5092 2.5092 2.6878 2.6878 2.9082 2.9082 2.9932 2.9932 3.7367 3.7367 3.7484 3.7484 4.6382 4.6382 4.6892 4.6892 12.8568 12.8568 14.0441 14.0441 15.6459 15.6459 k = 0.6594 0.1534-0.1024 ( 3494 PWs) bands (ev): -19.1053 -19.1053 -18.8479 -18.8479 -18.5816 -18.5816 -18.5731 -18.5731 -18.4344 -18.4344 -18.4314 -18.4314 -2.9331 -2.9331 -2.7632 -2.7632 -2.4154 -2.4154 -1.9683 -1.9683 -1.5245 -1.5245 -1.3905 -1.3905 -1.3138 -1.3138 -1.2517 -1.2517 -0.7126 -0.7126 -0.0732 -0.0732 0.0586 0.0586 0.1617 0.1617 0.4326 0.4326 0.5467 0.5467 0.8416 0.8416 0.9974 0.9974 1.1379 1.1379 1.2246 1.2246 2.3047 2.3047 2.4226 2.4226 2.5171 2.5171 2.6951 2.6951 2.9003 2.9003 2.9866 2.9866 3.7446 3.7446 3.7568 3.7568 4.6262 4.6262 4.6759 4.6759 12.8119 12.8119 13.9720 13.9720 15.7236 15.7236 k = 0.6518 0.1587-0.0889 ( 3496 PWs) bands (ev): -19.1112 -19.1112 -18.8549 -18.8549 -18.5751 -18.5751 -18.5663 -18.5663 -18.4342 -18.4342 -18.4314 -18.4314 -2.9140 -2.9140 -2.7488 -2.7488 -2.4173 -2.4173 -1.9678 -1.9678 -1.5317 -1.5317 -1.4076 -1.4076 -1.3117 -1.3117 -1.2552 -1.2552 -0.7305 -0.7305 -0.0917 -0.0917 0.0451 0.0451 0.1323 0.1323 0.4198 0.4198 0.5779 0.5779 0.8510 0.8510 1.0123 1.0123 1.1447 1.1447 1.2334 1.2334 2.3180 2.3180 2.4326 2.4326 2.5253 2.5253 2.7022 2.7022 2.8919 2.8919 2.9795 2.9795 3.7531 3.7531 3.7659 3.7659 4.6138 4.6138 4.6620 4.6620 12.7666 12.7666 13.9020 13.9020 15.8039 15.8039 k = 0.6442 0.1639-0.0755 ( 3496 PWs) bands (ev): -19.1171 -19.1171 -18.8617 -18.8617 -18.5685 -18.5685 -18.5595 -18.5595 -18.4341 -18.4341 -18.4314 -18.4314 -2.8936 -2.8936 -2.7335 -2.7335 -2.4191 -2.4191 -1.9673 -1.9673 -1.5427 -1.5427 -1.4309 -1.4309 -1.3042 -1.3042 -1.2551 -1.2551 -0.7496 -0.7496 -0.1100 -0.1100 0.0286 0.0286 0.1036 0.1036 0.4087 0.4087 0.6069 0.6069 0.8625 0.8625 1.0280 1.0280 1.1522 1.1522 1.2421 1.2421 2.3318 2.3318 2.4422 2.4422 2.5338 2.5338 2.7091 2.7091 2.8831 2.8831 2.9721 2.9721 3.7624 3.7624 3.7757 3.7757 4.6010 4.6010 4.6475 4.6475 12.7215 12.7215 13.8341 13.8341 15.8862 15.8862 k = 0.6366 0.1691-0.0620 ( 3492 PWs) bands (ev): -19.1230 -19.1230 -18.8683 -18.8683 -18.5619 -18.5619 -18.5528 -18.5528 -18.4340 -18.4340 -18.4316 -18.4316 -2.8721 -2.8721 -2.7172 -2.7172 -2.4210 -2.4210 -1.9667 -1.9667 -1.5576 -1.5576 -1.4580 -1.4580 -1.2935 -1.2935 -1.2514 -1.2514 -0.7695 -0.7695 -0.1279 -0.1279 0.0093 0.0093 0.0754 0.0754 0.3995 0.3995 0.6329 0.6329 0.8763 0.8763 1.0442 1.0442 1.1603 1.1603 1.2507 1.2507 2.3460 2.3460 2.4515 2.4515 2.5423 2.5423 2.7157 2.7157 2.8739 2.8739 2.9643 2.9643 3.7725 3.7725 3.7861 3.7861 4.5878 4.5878 4.6324 4.6324 12.6768 12.6768 13.7686 13.7686 15.9703 15.9703 k = 0.6290 0.1743-0.0486 ( 3494 PWs) bands (ev): -19.1288 -19.1288 -18.8747 -18.8747 -18.5552 -18.5552 -18.5462 -18.5462 -18.4342 -18.4342 -18.4318 -18.4318 -2.8494 -2.8494 -2.7000 -2.7000 -2.4228 -2.4228 -1.9661 -1.9661 -1.5762 -1.5762 -1.4872 -1.4872 -1.2809 -1.2809 -1.2445 -1.2445 -0.7900 -0.7900 -0.1457 -0.1457 -0.0123 -0.0123 0.0477 0.0477 0.3919 0.3919 0.6555 0.6555 0.8928 0.8928 1.0609 1.0609 1.1690 1.1690 1.2591 1.2591 2.3605 2.3605 2.4603 2.4603 2.5509 2.5509 2.7219 2.7219 2.8643 2.8643 2.9563 2.9563 3.7833 3.7833 3.7972 3.7972 4.5743 4.5743 4.6169 4.6169 12.6329 12.6329 13.7055 13.7055 16.0559 16.0559 k = 0.6214 0.1795-0.0351 ( 3490 PWs) bands (ev): -19.1344 -19.1344 -18.8808 -18.8808 -18.5485 -18.5485 -18.5397 -18.5397 -18.4344 -18.4344 -18.4322 -18.4322 -2.8255 -2.8255 -2.6820 -2.6820 -2.4247 -2.4247 -1.9655 -1.9655 -1.5978 -1.5978 -1.5180 -1.5180 -1.2669 -1.2669 -1.2349 -1.2349 -0.8108 -0.8108 -0.1630 -0.1630 -0.0355 -0.0355 0.0203 0.0203 0.3858 0.3858 0.6743 0.6743 0.9120 0.9120 1.0779 1.0779 1.1783 1.1783 1.2672 1.2672 2.3752 2.3752 2.4686 2.4686 2.5595 2.5595 2.7276 2.7276 2.8545 2.8545 2.9482 2.9482 3.7949 3.7949 3.8090 3.8090 4.5606 4.5606 4.6009 4.6009 12.5899 12.5899 13.6451 13.6451 16.1425 16.1425 k = 0.6138 0.1847-0.0217 ( 3488 PWs) bands (ev): -19.1399 -19.1399 -18.8867 -18.8867 -18.5419 -18.5419 -18.5334 -18.5334 -18.4348 -18.4348 -18.4326 -18.4326 -2.8006 -2.8006 -2.6632 -2.6632 -2.4265 -2.4265 -1.9649 -1.9649 -1.6221 -1.6221 -1.5498 -1.5498 -1.2521 -1.2521 -1.2230 -1.2230 -0.8315 -0.8315 -0.1802 -0.1802 -0.0597 -0.0597 -0.0068 -0.0068 0.3809 0.3809 0.6893 0.6893 0.9336 0.9336 1.0947 1.0947 1.1883 1.1883 1.2751 1.2751 2.3898 2.3898 2.4764 2.4764 2.5679 2.5679 2.7327 2.7327 2.8445 2.8445 2.9399 2.9399 3.8071 3.8071 3.8213 3.8213 4.5466 4.5466 4.5845 4.5845 12.5483 12.5483 13.5874 13.5874 16.2298 16.2298 k = 0.6062 0.1900-0.0082 ( 3490 PWs) bands (ev): -19.1452 -19.1452 -18.8923 -18.8923 -18.5354 -18.5354 -18.5273 -18.5273 -18.4353 -18.4353 -18.4332 -18.4332 -2.7748 -2.7748 -2.6436 -2.6436 -2.4282 -2.4282 -1.9643 -1.9643 -1.6485 -1.6485 -1.5823 -1.5823 -1.2367 -1.2367 -1.2092 -1.2092 -0.8519 -0.8519 -0.1971 -0.1971 -0.0844 -0.0844 -0.0335 -0.0335 0.3769 0.3769 0.7007 0.7007 0.9574 0.9574 1.1110 1.1110 1.1989 1.1989 1.2826 1.2826 2.4043 2.4043 2.4838 2.4838 2.5761 2.5761 2.7372 2.7372 2.8344 2.8344 2.9317 2.9317 3.8201 3.8201 3.8341 3.8341 4.5326 4.5326 4.5679 4.5679 12.5082 12.5082 13.5327 13.5327 16.3175 16.3175 k = 0.5987 0.1952 0.0052 ( 3494 PWs) bands (ev): -19.1503 -19.1503 -18.8975 -18.8975 -18.5290 -18.5290 -18.5213 -18.5213 -18.4359 -18.4359 -18.4339 -18.4339 -2.7481 -2.7481 -2.6235 -2.6235 -2.4299 -2.4299 -1.9638 -1.9638 -1.6765 -1.6765 -1.6152 -1.6152 -1.2212 -1.2212 -1.1939 -1.1939 -0.8718 -0.8718 -0.2140 -0.2140 -0.1088 -0.1088 -0.0596 -0.0596 0.3736 0.3736 0.7092 0.7092 0.9825 0.9825 1.1264 1.1264 1.2104 1.2104 1.2898 1.2898 2.4184 2.4184 2.4907 2.4907 2.5840 2.5840 2.7410 2.7410 2.8243 2.8243 2.9235 2.9235 3.8336 3.8336 3.8472 3.8472 4.5185 4.5185 4.5511 4.5511 12.4699 12.4699 13.4811 13.4811 16.4052 16.4052 k = 0.5911 0.2004 0.0187 ( 3488 PWs) bands (ev): -19.1551 -19.1551 -18.9025 -18.9025 -18.5227 -18.5227 -18.5156 -18.5156 -18.4367 -18.4367 -18.4347 -18.4347 -2.7206 -2.7206 -2.6027 -2.6027 -2.4314 -2.4314 -1.9635 -1.9635 -1.7058 -1.7058 -1.6482 -1.6482 -1.2060 -1.2060 -1.1771 -1.1771 -0.8907 -0.8907 -0.2310 -0.2310 -0.1326 -0.1326 -0.0850 -0.0850 0.3709 0.3709 0.7152 0.7152 1.0085 1.0085 1.1405 1.1405 1.2226 1.2226 1.2966 1.2966 2.4320 2.4320 2.4973 2.4973 2.5916 2.5916 2.7440 2.7440 2.8142 2.8142 2.9156 2.9156 3.8476 3.8476 3.8608 3.8608 4.5045 4.5045 4.5342 4.5342 12.4336 12.4336 13.4327 13.4327 16.4925 16.4925 k = 0.5835 0.2056 0.0321 ( 3490 PWs) bands (ev): -19.1596 -19.1596 -18.9071 -18.9071 -18.5166 -18.5166 -18.5100 -18.5100 -18.4376 -18.4376 -18.4357 -18.4357 -2.6925 -2.6925 -2.5816 -2.5816 -2.4328 -2.4328 -1.9634 -1.9634 -1.7359 -1.7359 -1.6811 -1.6811 -1.1912 -1.1912 -1.1592 -1.1592 -0.9087 -0.9087 -0.2484 -0.2484 -0.1552 -0.1552 -0.1094 -0.1094 0.3687 0.3687 0.7193 0.7193 1.0345 1.0345 1.1532 1.1532 1.2355 1.2355 1.3030 1.3030 2.4449 2.4449 2.5036 2.5036 2.5988 2.5988 2.7461 2.7461 2.8044 2.8044 2.9080 2.9080 3.8619 3.8619 3.8744 3.8744 4.4905 4.4905 4.5172 4.5172 12.3994 12.3994 13.3876 13.3876 16.5791 16.5791 k = 0.5759 0.2108 0.0456 ( 3488 PWs) bands (ev): -19.1637 -19.1637 -18.9113 -18.9113 -18.5108 -18.5108 -18.5046 -18.5046 -18.4386 -18.4386 -18.4368 -18.4368 -2.6640 -2.6640 -2.5603 -2.5603 -2.4340 -2.4340 -1.9636 -1.9636 -1.7662 -1.7662 -1.7136 -1.7136 -1.1772 -1.1772 -1.1407 -1.1407 -0.9254 -0.9254 -0.2663 -0.2663 -0.1762 -0.1762 -0.1325 -0.1325 0.3668 0.3668 0.7219 0.7219 1.0602 1.0602 1.1643 1.1643 1.2488 1.2488 1.3090 1.3090 2.4568 2.4568 2.5097 2.5097 2.6057 2.6057 2.7473 2.7473 2.7949 2.7949 2.9008 2.9008 3.8765 3.8765 3.8881 3.8881 4.4769 4.4769 4.5005 4.5005 12.3676 12.3676 13.3460 13.3460 16.6643 16.6643 k = 0.5683 0.2161 0.0590 ( 3492 PWs) bands (ev): -19.1676 -19.1676 -18.9152 -18.9152 -18.5051 -18.5051 -18.4995 -18.4995 -18.4398 -18.4398 -18.4381 -18.4381 -2.6352 -2.6352 -2.5392 -2.5392 -2.4349 -2.4349 -1.9644 -1.9644 -1.7964 -1.7964 -1.7454 -1.7454 -1.1640 -1.1640 -1.1219 -1.1219 -0.9406 -0.9406 -0.2850 -0.2850 -0.1951 -0.1951 -0.1540 -0.1540 0.3652 0.3652 0.7234 0.7234 1.0848 1.0848 1.1739 1.1739 1.2621 1.2621 1.3145 1.3145 2.4674 2.4674 2.5158 2.5158 2.6122 2.6122 2.7473 2.7473 2.7860 2.7860 2.8942 2.8942 3.8911 3.8911 3.9016 3.9016 4.4636 4.4636 4.4840 4.4840 12.3383 12.3383 13.3080 13.3080 16.7478 16.7478 k = 0.5607 0.2213 0.0725 ( 3496 PWs) bands (ev): -19.1711 -19.1711 -18.9187 -18.9187 -18.4997 -18.4997 -18.4946 -18.4946 -18.4411 -18.4411 -18.4396 -18.4396 -2.6066 -2.6066 -2.5184 -2.5184 -2.4353 -2.4353 -1.9661 -1.9661 -1.8256 -1.8256 -1.7763 -1.7763 -1.1518 -1.1518 -1.1033 -1.1033 -0.9540 -0.9540 -0.3043 -0.3043 -0.2117 -0.2117 -0.1737 -0.1737 0.3638 0.3638 0.7241 0.7241 1.1080 1.1080 1.1821 1.1821 1.2750 1.2750 1.3196 1.3196 2.4765 2.4765 2.5221 2.5221 2.6184 2.6184 2.7461 2.7461 2.7779 2.7779 2.8882 2.8882 3.9055 3.9055 3.9147 3.9147 4.4509 4.4509 4.4681 4.4681 12.3117 12.3117 13.2736 13.2736 16.8288 16.8288 k = 0.5531 0.2265 0.0859 ( 3496 PWs) bands (ev): -19.1742 -19.1742 -18.9218 -18.9218 -18.4946 -18.4946 -18.4900 -18.4900 -18.4426 -18.4426 -18.4412 -18.4412 -2.5783 -2.5783 -2.4987 -2.4987 -2.4351 -2.4351 -1.9693 -1.9693 -1.8528 -1.8528 -1.8057 -1.8057 -1.1409 -1.1409 -1.0854 -1.0854 -0.9653 -0.9653 -0.3237 -0.3237 -0.2260 -0.2260 -0.1914 -0.1914 0.3627 0.3627 0.7243 0.7243 1.1294 1.1294 1.1892 1.1892 1.2871 1.2871 1.3243 1.3243 2.4838 2.4838 2.5287 2.5287 2.6244 2.6244 2.7433 2.7433 2.7712 2.7712 2.8830 2.8830 3.9195 3.9195 3.9272 3.9272 4.4388 4.4388 4.4529 4.4529 12.2879 12.2879 13.2431 13.2431 16.9065 16.9065 k = 0.5455 0.2317 0.0994 ( 3498 PWs) bands (ev): -19.1769 -19.1769 -18.9245 -18.9245 -18.4899 -18.4899 -18.4856 -18.4856 -18.4442 -18.4442 -18.4429 -18.4429 -2.5509 -2.5509 -2.4810 -2.4810 -2.4336 -2.4336 -1.9747 -1.9747 -1.8768 -1.8768 -1.8333 -1.8333 -1.1313 -1.1313 -1.0689 -1.0689 -0.9744 -0.9744 -0.3427 -0.3427 -0.2383 -0.2383 -0.2068 -0.2068 0.3617 0.3617 0.7241 0.7241 1.1485 1.1485 1.1953 1.1953 1.2980 1.2980 1.3286 1.3286 2.4895 2.4895 2.5355 2.5355 2.6301 2.6301 2.7388 2.7388 2.7659 2.7659 2.8785 2.8785 3.9327 3.9327 3.9389 3.9389 4.4277 4.4277 4.4387 4.4387 12.2670 12.2670 13.2164 13.2164 16.9801 16.9801 k = 0.5379 0.2369 0.1128 ( 3502 PWs) bands (ev): -19.1793 -19.1793 -18.9268 -18.9268 -18.4855 -18.4855 -18.4814 -18.4814 -18.4459 -18.4459 -18.4448 -18.4448 -2.5251 -2.5251 -2.4669 -2.4669 -2.4295 -2.4295 -1.9833 -1.9833 -1.8959 -1.8959 -1.8584 -1.8584 -1.1233 -1.1233 -1.0546 -1.0546 -0.9809 -0.9809 -0.3606 -0.3606 -0.2487 -0.2487 -0.2197 -0.2197 0.3609 0.3609 0.7237 0.7237 1.1650 1.1650 1.2006 1.2006 1.3073 1.3073 1.3325 1.3325 2.4935 2.4935 2.5421 2.5421 2.6356 2.6356 2.7330 2.7330 2.7621 2.7621 2.8748 2.8748 3.9448 3.9448 3.9495 3.9495 4.4177 4.4177 4.4258 4.4258 12.2491 12.2491 13.1937 13.1937 17.0482 17.0482 k = 0.5304 0.2421 0.1263 ( 3502 PWs) bands (ev): -19.1812 -19.1812 -18.9287 -18.9287 -18.4815 -18.4815 -18.4776 -18.4776 -18.4477 -18.4477 -18.4467 -18.4467 -2.5015 -2.5015 -2.4582 -2.4582 -2.4220 -2.4220 -1.9951 -1.9951 -1.9093 -1.9093 -1.8805 -1.8805 -1.1170 -1.1170 -1.0430 -1.0430 -0.9844 -0.9844 -0.3766 -0.3766 -0.2575 -0.2575 -0.2301 -0.2301 0.3602 0.3602 0.7232 0.7232 1.1785 1.1785 1.2053 1.2053 1.3148 1.3148 1.3361 1.3361 2.4964 2.4964 2.5482 2.5482 2.6408 2.6408 2.7266 2.7266 2.7595 2.7595 2.8718 2.8718 3.9555 3.9555 3.9587 3.9587 4.4091 4.4091 4.4146 4.4146 12.2344 12.2344 13.1751 13.1751 17.1092 17.1092 k = 0.5228 0.2474 0.1397 ( 3508 PWs) bands (ev): -19.1827 -19.1827 -18.9302 -18.9302 -18.4781 -18.4781 -18.4741 -18.4741 -18.4495 -18.4495 -18.4485 -18.4485 -2.4813 -2.4813 -2.4538 -2.4538 -2.4124 -2.4124 -2.0084 -2.0084 -1.9178 -1.9178 -1.8987 -1.8987 -1.1123 -1.1123 -1.0350 -1.0350 -0.9852 -0.9852 -0.3900 -0.3900 -0.2646 -0.2646 -0.2380 -0.2380 0.3597 0.3597 0.7228 0.7228 1.1886 1.1886 1.2096 1.2096 1.3203 1.3203 1.3394 1.3394 2.4982 2.4982 2.5534 2.5534 2.6457 2.6457 2.7203 2.7203 2.7575 2.7575 2.8695 2.8695 3.9643 3.9643 3.9662 3.9662 4.4020 4.4020 4.4053 4.4053 12.2229 12.2229 13.1605 13.1605 17.1611 17.1611 k = 0.5152 0.2526 0.1532 ( 3510 PWs) bands (ev): -19.1838 -19.1838 -18.9312 -18.9312 -18.4754 -18.4754 -18.4711 -18.4711 -18.4514 -18.4514 -18.4500 -18.4500 -2.4659 -2.4659 -2.4516 -2.4516 -2.4036 -2.4036 -2.0206 -2.0206 -1.9230 -1.9230 -1.9121 -1.9121 -1.1091 -1.1091 -1.0303 -1.0303 -0.9840 -0.9840 -0.4001 -0.4001 -0.2698 -0.2698 -0.2434 -0.2434 0.3594 0.3594 0.7224 0.7224 1.1952 1.1952 1.2134 1.2134 1.3239 1.3239 1.3421 1.3421 2.4995 2.4995 2.5574 2.5574 2.6498 2.6498 2.7148 2.7148 2.7562 2.7562 2.8679 2.8679 3.9710 3.9710 3.9718 3.9718 4.3968 4.3968 4.3984 4.3984 12.2146 12.2146 13.1501 13.1501 17.2012 17.2012 k = 0.5076 0.2578 0.1666 ( 3514 PWs) bands (ev): -19.1844 -19.1844 -18.9319 -18.9319 -18.4736 -18.4736 -18.4690 -18.4690 -18.4528 -18.4528 -18.4511 -18.4511 -2.4571 -2.4571 -2.4495 -2.4495 -2.3976 -2.3976 -2.0290 -2.0290 -1.9267 -1.9267 -1.9194 -1.9194 -1.1073 -1.1073 -1.0280 -1.0280 -0.9824 -0.9824 -0.4064 -0.4064 -0.2731 -0.2731 -0.2466 -0.2466 0.3591 0.3591 0.7222 0.7222 1.1987 1.1987 1.2162 1.2162 1.3260 1.3260 1.3439 1.3439 2.5001 2.5001 2.5598 2.5598 2.6528 2.6528 2.7110 2.7110 2.7554 2.7554 2.8669 2.8669 3.9750 3.9750 3.9753 3.9753 4.3935 4.3935 4.3941 4.3941 12.2096 12.2096 13.1438 13.1438 17.2269 17.2269 k = 0.5000 0.2630 0.1801 ( 3510 PWs) bands (ev): -19.1847 -19.1847 -18.9321 -18.9321 -18.4730 -18.4730 -18.4682 -18.4682 -18.4534 -18.4534 -18.4515 -18.4515 -2.4548 -2.4548 -2.4480 -2.4480 -2.3955 -2.3955 -2.0320 -2.0320 -1.9283 -1.9283 -1.9214 -1.9214 -1.1067 -1.1067 -1.0273 -1.0273 -0.9817 -0.9817 -0.4086 -0.4086 -0.2741 -0.2741 -0.2476 -0.2476 0.3591 0.3591 0.7221 0.7221 1.1998 1.1998 1.2172 1.2172 1.3266 1.3266 1.3445 1.3445 2.5003 2.5003 2.5607 2.5607 2.6538 2.6538 2.7097 2.7097 2.7552 2.7552 2.8666 2.8666 3.9763 3.9763 3.9766 3.9766 4.3925 4.3925 4.3926 4.3926 12.2079 12.2079 13.1417 13.1417 17.2358 17.2358 k = 0.5000 0.2630 0.1801 ( 3510 PWs) bands (ev): -19.1847 -19.1847 -18.9321 -18.9321 -18.4730 -18.4730 -18.4682 -18.4682 -18.4534 -18.4534 -18.4515 -18.4515 -2.4548 -2.4548 -2.4480 -2.4480 -2.3955 -2.3955 -2.0320 -2.0320 -1.9283 -1.9283 -1.9214 -1.9214 -1.1067 -1.1067 -1.0273 -1.0273 -0.9817 -0.9817 -0.4086 -0.4086 -0.2741 -0.2741 -0.2476 -0.2476 0.3591 0.3591 0.7221 0.7221 1.1998 1.1998 1.2172 1.2172 1.3266 1.3266 1.3445 1.3445 2.5003 2.5003 2.5607 2.5607 2.6538 2.6538 2.7097 2.7097 2.7552 2.7552 2.8666 2.8666 3.9763 3.9763 3.9766 3.9766 4.3925 4.3925 4.3926 4.3926 12.2079 12.2079 13.1417 13.1417 17.2358 17.2358 k = 0.4865 0.2559 0.1752 ( 3519 PWs) bands (ev): -19.1863 -19.1863 -18.9303 -18.9303 -18.4730 -18.4730 -18.4682 -18.4682 -18.4534 -18.4534 -18.4514 -18.4514 -2.4551 -2.4551 -2.4483 -2.4483 -2.3998 -2.3998 -2.0283 -2.0283 -1.9280 -1.9280 -1.9211 -1.9211 -1.1100 -1.1100 -1.0299 -1.0299 -0.9845 -0.9845 -0.4036 -0.4036 -0.2707 -0.2707 -0.2441 -0.2441 0.3585 0.3585 0.7222 0.7222 1.1990 1.1990 1.2164 1.2164 1.3274 1.3274 1.3453 1.3453 2.4991 2.4991 2.5591 2.5591 2.6507 2.6507 2.7121 2.7121 2.7555 2.7555 2.8671 2.8671 3.9730 3.9730 3.9732 3.9732 4.3964 4.3964 4.3966 4.3966 12.1958 12.1958 13.1541 13.1541 17.2362 17.2362 k = 0.4730 0.2488 0.1703 ( 3507 PWs) bands (ev): -19.1912 -19.1912 -18.9251 -18.9251 -18.4730 -18.4730 -18.4683 -18.4683 -18.4533 -18.4533 -18.4513 -18.4513 -2.4558 -2.4558 -2.4490 -2.4490 -2.4119 -2.4119 -2.0176 -2.0176 -1.9270 -1.9270 -1.9201 -1.9201 -1.1194 -1.1194 -1.0377 -1.0377 -0.9927 -0.9927 -0.3890 -0.3890 -0.2605 -0.2605 -0.2336 -0.2336 0.3568 0.3568 0.7226 0.7226 1.1966 1.1966 1.2139 1.2139 1.3297 1.3297 1.3478 1.3478 2.4954 2.4954 2.5544 2.5544 2.6425 2.6425 2.7183 2.7183 2.7566 2.7566 2.8687 2.8687 3.9635 3.9635 3.9637 3.9637 4.4079 4.4079 4.4081 4.4081 12.1613 12.1613 13.1895 13.1895 17.2375 17.2375 k = 0.4595 0.2417 0.1655 ( 3513 PWs) bands (ev): -19.1989 -19.1989 -18.9170 -18.9170 -18.4731 -18.4731 -18.4685 -18.4685 -18.4532 -18.4532 -18.4511 -18.4511 -2.4572 -2.4572 -2.4502 -2.4502 -2.4307 -2.4307 -2.0012 -2.0012 -1.9254 -1.9254 -1.9185 -1.9185 -1.1342 -1.1342 -1.0501 -1.0501 -1.0058 -1.0058 -0.3658 -0.3658 -0.2440 -0.2440 -0.2167 -0.2167 0.3540 0.3540 0.7233 0.7233 1.1929 1.1929 1.2100 1.2100 1.3333 1.3333 1.3516 1.3516 2.4895 2.4895 2.5469 2.5469 2.6309 2.6309 2.7265 2.7265 2.7581 2.7581 2.8711 2.8711 3.9486 3.9486 3.9490 3.9490 4.4258 4.4258 4.4261 4.4261 12.1087 12.1087 13.2437 13.2437 17.2396 17.2396 k = 0.4459 0.2346 0.1606 ( 3513 PWs) bands (ev): -19.2090 -19.2090 -18.9064 -18.9064 -18.4732 -18.4732 -18.4687 -18.4687 -18.4531 -18.4531 -18.4509 -18.4509 -2.4604 -2.4604 -2.4533 -2.4533 -2.4519 -2.4519 -1.9806 -1.9806 -1.9231 -1.9231 -1.9163 -1.9163 -1.1533 -1.1533 -1.0666 -1.0666 -1.0231 -1.0231 -0.3352 -0.3352 -0.2218 -0.2218 -0.1940 -0.1940 0.3502 0.3502 0.7242 0.7242 1.1881 1.1881 1.2050 1.2050 1.3380 1.3380 1.3566 1.3566 2.4815 2.4815 2.5367 2.5367 2.6171 2.6171 2.7357 2.7357 2.7597 2.7597 2.8741 2.8741 3.9299 3.9299 3.9305 3.9305 4.4489 4.4489 4.4494 4.4494 12.0428 12.0428 13.3118 13.3118 17.2424 17.2424 k = 0.4324 0.2275 0.1557 ( 3510 PWs) bands (ev): -19.2208 -19.2208 -18.8937 -18.8937 -18.4733 -18.4733 -18.4690 -18.4690 -18.4529 -18.4529 -18.4505 -18.4505 -2.4838 -2.4838 -2.4600 -2.4600 -2.4541 -2.4541 -1.9571 -1.9571 -1.9201 -1.9201 -1.9136 -1.9136 -1.1756 -1.1756 -1.0864 -1.0864 -1.0439 -1.0439 -0.2984 -0.2984 -0.1947 -0.1947 -0.1662 -0.1662 0.3454 0.3454 0.7254 0.7254 1.1824 1.1824 1.1991 1.1991 1.3435 1.3435 1.3624 1.3624 2.4717 2.4717 2.5241 2.5241 2.6016 2.6016 2.7452 2.7452 2.7613 2.7613 2.8774 2.8774 3.9084 3.9084 3.9093 3.9093 4.4759 4.4759 4.4767 4.4767 11.9678 11.9678 13.3897 13.3897 17.2461 17.2461 k = 0.4189 0.2204 0.1509 ( 3507 PWs) bands (ev): -19.2339 -19.2339 -18.8796 -18.8796 -18.4735 -18.4735 -18.4693 -18.4693 -18.4527 -18.4527 -18.4501 -18.4501 -2.5146 -2.5146 -2.4627 -2.4627 -2.4567 -2.4567 -1.9327 -1.9327 -1.9155 -1.9155 -1.9102 -1.9102 -1.1998 -1.1998 -1.1090 -1.1090 -1.0673 -1.0673 -0.2567 -0.2567 -0.1633 -0.1633 -0.1342 -0.1342 0.3398 0.3398 0.7269 0.7269 1.1762 1.1762 1.1926 1.1926 1.3496 1.3496 1.3688 1.3688 2.4602 2.4602 2.5095 2.5095 2.5847 2.5847 2.7548 2.7548 2.7625 2.7625 2.8810 2.8810 3.8854 3.8854 3.8865 3.8865 4.5059 4.5059 4.5069 4.5069 11.8865 11.8865 13.4745 13.4745 17.2505 17.2505 k = 0.4054 0.2132 0.1460 ( 3507 PWs) bands (ev): -19.2480 -19.2480 -18.8644 -18.8644 -18.4737 -18.4737 -18.4696 -18.4696 -18.4525 -18.4525 -18.4497 -18.4497 -2.5476 -2.5476 -2.4657 -2.4657 -2.4597 -2.4597 -1.9165 -1.9165 -1.9064 -1.9064 -1.9010 -1.9010 -1.2253 -1.2253 -1.1335 -1.1335 -1.0927 -1.0927 -0.2114 -0.2114 -0.1283 -0.1283 -0.0986 -0.0986 0.3336 0.3336 0.7286 0.7286 1.1695 1.1695 1.1857 1.1857 1.3561 1.3561 1.3756 1.3756 2.4473 2.4473 2.4931 2.4931 2.5667 2.5667 2.7630 2.7630 2.7642 2.7642 2.8844 2.8844 3.8616 3.8616 3.8629 3.8629 4.5379 4.5379 4.5392 4.5392 11.8012 11.8012 13.5641 13.5641 17.2556 17.2556 k = 0.3919 0.2061 0.1411 ( 3507 PWs) bands (ev): -19.2628 -19.2628 -18.8484 -18.8484 -18.4739 -18.4739 -18.4700 -18.4700 -18.4522 -18.4522 -18.4492 -18.4492 -2.5822 -2.5822 -2.4689 -2.4689 -2.4630 -2.4630 -1.9107 -1.9107 -1.9021 -1.9021 -1.8749 -1.8749 -1.2510 -1.2510 -1.1596 -1.1596 -1.1195 -1.1195 -0.1633 -0.1633 -0.0903 -0.0903 -0.0600 -0.0600 0.3268 0.3268 0.7308 0.7308 1.1627 1.1627 1.1786 1.1786 1.3627 1.3627 1.3826 1.3826 2.4331 2.4331 2.4752 2.4752 2.5477 2.5477 2.7626 2.7626 2.7732 2.7732 2.8877 2.8877 3.8377 3.8377 3.8392 3.8392 4.5715 4.5715 4.5730 4.5730 11.7133 11.7133 13.6569 13.6569 17.2613 17.2613 k = 0.3784 0.1990 0.1363 ( 3507 PWs) bands (ev): -19.2780 -19.2780 -18.8318 -18.8318 -18.4741 -18.4741 -18.4704 -18.4704 -18.4519 -18.4519 -18.4487 -18.4487 -2.6179 -2.6179 -2.4724 -2.4724 -2.4667 -2.4667 -1.9058 -1.9058 -1.8975 -1.8975 -1.8475 -1.8475 -1.2766 -1.2766 -1.1866 -1.1866 -1.1472 -1.1472 -0.1135 -0.1135 -0.0498 -0.0498 -0.0189 -0.0189 0.3197 0.3197 0.7333 0.7333 1.1558 1.1558 1.1715 1.1715 1.3694 1.3694 1.3897 1.3897 2.4177 2.4177 2.4558 2.4558 2.5279 2.5279 2.7612 2.7612 2.7814 2.7814 2.8908 2.8908 3.8141 3.8141 3.8158 3.8158 4.6059 4.6059 4.6077 4.6077 11.6241 11.6241 13.7520 13.7520 17.2677 17.2677 k = 0.3649 0.1919 0.1314 ( 3507 PWs) bands (ev): -19.2933 -19.2933 -18.8149 -18.8149 -18.4743 -18.4743 -18.4709 -18.4709 -18.4516 -18.4516 -18.4482 -18.4482 -2.6543 -2.6543 -2.4761 -2.4761 -2.4706 -2.4706 -1.9006 -1.9006 -1.8924 -1.8924 -1.8200 -1.8200 -1.3013 -1.3013 -1.2142 -1.2142 -1.1755 -1.1755 -0.0629 -0.0629 -0.0072 -0.0072 0.0242 0.0242 0.3126 0.3126 0.7365 0.7365 1.1490 1.1490 1.1644 1.1644 1.3761 1.3761 1.3968 1.3968 2.4012 2.4012 2.4352 2.4352 2.5075 2.5075 2.7585 2.7585 2.7886 2.7886 2.8938 2.8938 3.7913 3.7913 3.7930 3.7930 4.6410 4.6410 4.6430 4.6430 11.5342 11.5342 13.8486 13.8486 17.2745 17.2745 k = 0.3514 0.1848 0.1265 ( 3513 PWs) bands (ev): -19.3088 -19.3088 -18.7978 -18.7978 -18.4745 -18.4745 -18.4713 -18.4713 -18.4513 -18.4513 -18.4477 -18.4477 -2.6911 -2.6911 -2.4801 -2.4801 -2.4748 -2.4748 -1.8953 -1.8953 -1.8871 -1.8871 -1.7929 -1.7929 -1.3250 -1.3250 -1.2420 -1.2420 -1.2039 -1.2039 -0.0125 -0.0125 0.0370 0.0370 0.0688 0.0688 0.3060 0.3060 0.7404 0.7404 1.1424 1.1424 1.1575 1.1575 1.3827 1.3827 1.4037 1.4037 2.3836 2.3836 2.4134 2.4134 2.4866 2.4866 2.7546 2.7546 2.7943 2.7943 2.8968 2.8968 3.7696 3.7696 3.7713 3.7713 4.6764 4.6764 4.6786 4.6786 11.4442 11.4442 13.9461 13.9461 17.2817 17.2817 k = 0.3378 0.1777 0.1217 ( 3498 PWs) bands (ev): -19.3242 -19.3242 -18.7806 -18.7806 -18.4747 -18.4747 -18.4718 -18.4718 -18.4509 -18.4509 -18.4471 -18.4471 -2.7280 -2.7280 -2.4842 -2.4842 -2.4791 -2.4791 -1.8897 -1.8897 -1.8815 -1.8815 -1.7665 -1.7665 -1.3470 -1.3470 -1.2698 -1.2698 -1.2323 -1.2323 0.0365 0.0365 0.0826 0.0826 0.1147 0.1147 0.3005 0.3005 0.7454 0.7454 1.1360 1.1360 1.1509 1.1509 1.3890 1.3890 1.4105 1.4105 2.3650 2.3650 2.3907 2.3907 2.4653 2.4653 2.7493 2.7493 2.7983 2.7983 2.9002 2.9002 3.7492 3.7492 3.7508 3.7508 4.7118 4.7118 4.7143 4.7143 11.3548 11.3548 14.0441 14.0441 17.2893 17.2893 k = 0.3243 0.1706 0.1168 ( 3501 PWs) bands (ev): -19.3394 -19.3394 -18.7635 -18.7635 -18.4750 -18.4750 -18.4722 -18.4722 -18.4505 -18.4505 -18.4465 -18.4465 -2.7650 -2.7650 -2.4886 -2.4886 -2.4836 -2.4836 -1.8839 -1.8839 -1.8756 -1.8756 -1.7413 -1.7413 -1.3670 -1.3670 -1.2974 -1.2974 -1.2604 -1.2604 0.0822 0.0822 0.1293 0.1293 0.1614 0.1614 0.2974 0.2974 0.7517 0.7517 1.1300 1.1300 1.1446 1.1446 1.3951 1.3951 1.4170 1.4170 2.3452 2.3452 2.3670 2.3670 2.4438 2.4438 2.7427 2.7427 2.8002 2.8002 2.9041 2.9041 3.7302 3.7302 3.7316 3.7316 4.7470 4.7470 4.7498 4.7498 11.2662 11.2662 14.1422 14.1422 17.2970 17.2970 k = 0.3108 0.1635 0.1119 ( 3495 PWs) bands (ev): -19.3544 -19.3544 -18.7466 -18.7466 -18.4752 -18.4752 -18.4727 -18.4727 -18.4502 -18.4502 -18.4460 -18.4460 -2.8017 -2.8017 -2.4930 -2.4930 -2.4882 -2.4882 -1.8780 -1.8780 -1.8696 -1.8696 -1.7177 -1.7177 -1.3846 -1.3846 -1.3246 -1.3246 -1.2881 -1.2881 0.1220 0.1220 0.1768 0.1768 0.2085 0.2085 0.2989 0.2989 0.7600 0.7600 1.1243 1.1243 1.1387 1.1387 1.4009 1.4009 1.4232 1.4232 2.3245 2.3245 2.3426 2.3426 2.4222 2.4222 2.7347 2.7347 2.7996 2.7996 2.9087 2.9087 3.7126 3.7126 3.7138 3.7138 4.7818 4.7818 4.7848 4.7848 11.1788 11.1788 14.2403 14.2403 17.3047 17.3047 k = 0.2973 0.1564 0.1071 ( 3489 PWs) bands (ev): -19.3691 -19.3691 -18.7299 -18.7299 -18.4755 -18.4755 -18.4731 -18.4731 -18.4498 -18.4498 -18.4454 -18.4454 -2.8379 -2.8379 -2.4974 -2.4974 -2.4929 -2.4929 -1.8720 -1.8720 -1.8635 -1.8635 -1.6962 -1.6962 -1.3995 -1.3995 -1.3513 -1.3513 -1.3151 -1.3151 0.1523 0.1523 0.2250 0.2250 0.2555 0.2555 0.3081 0.3081 0.7708 0.7708 1.1191 1.1191 1.1332 1.1332 1.4064 1.4064 1.4290 1.4290 2.3028 2.3028 2.3174 2.3174 2.4005 2.4005 2.7255 2.7255 2.7966 2.7966 2.9142 2.9142 3.6967 3.6967 3.6975 3.6975 4.8161 4.8161 4.8194 4.8194 11.0929 11.0929 14.3380 14.3380 17.3123 17.3123 k = 0.2838 0.1493 0.1022 ( 3498 PWs) bands (ev): -19.3834 -19.3834 -18.7135 -18.7135 -18.4757 -18.4757 -18.4735 -18.4735 -18.4494 -18.4494 -18.4448 -18.4448 -2.8737 -2.8737 -2.5020 -2.5020 -2.4977 -2.4977 -1.8658 -1.8658 -1.8574 -1.8574 -1.6774 -1.6774 -1.4110 -1.4110 -1.3773 -1.3773 -1.3414 -1.3414 0.1702 0.1702 0.2737 0.2737 0.3009 0.3009 0.3282 0.3282 0.7847 0.7847 1.1143 1.1143 1.1281 1.1281 1.4115 1.4115 1.4345 1.4345 2.2800 2.2800 2.2914 2.2914 2.3789 2.3789 2.7150 2.7150 2.7912 2.7912 2.9203 2.9203 3.6823 3.6823 3.6826 3.6826 4.8496 4.8496 4.8532 4.8532 11.0089 11.0089 14.4351 14.4351 17.3195 17.3195 k = 0.2703 0.1422 0.0973 ( 3489 PWs) bands (ev): -19.3973 -19.3973 -18.6975 -18.6975 -18.4759 -18.4759 -18.4740 -18.4740 -18.4490 -18.4490 -18.4443 -18.4443 -2.9087 -2.9087 -2.5065 -2.5065 -2.5024 -2.5024 -1.8596 -1.8596 -1.8511 -1.8511 -1.6619 -1.6619 -1.4186 -1.4186 -1.4025 -1.4025 -1.3667 -1.3667 0.1772 0.1772 0.3226 0.3226 0.3393 0.3393 0.3622 0.3622 0.8026 0.8026 1.1101 1.1101 1.1236 1.1236 1.4162 1.4162 1.4396 1.4396 2.2564 2.2564 2.2650 2.2650 2.3573 2.3573 2.7034 2.7034 2.7837 2.7837 2.9270 2.9270 3.6692 3.6692 3.6696 3.6696 4.8824 4.8824 4.8863 4.8863 10.9268 10.9268 14.5315 14.5315 17.3261 17.3261 k = 0.2568 0.1351 0.0925 ( 3489 PWs) bands (ev): -19.4107 -19.4107 -18.6819 -18.6819 -18.4762 -18.4762 -18.4744 -18.4744 -18.4487 -18.4487 -18.4437 -18.4437 -2.9428 -2.9428 -2.5110 -2.5110 -2.5072 -2.5072 -1.8535 -1.8535 -1.8449 -1.8449 -1.6504 -1.6504 -1.4268 -1.4268 -1.4223 -1.4223 -1.3905 -1.3905 0.1771 0.1771 0.3692 0.3692 0.3717 0.3717 0.4068 0.4068 0.8251 0.8251 1.1064 1.1064 1.1196 1.1196 1.4206 1.4206 1.4444 1.4444 2.2319 2.2319 2.2379 2.2379 2.3357 2.3357 2.6907 2.6907 2.7742 2.7742 2.9341 2.9341 3.6573 3.6573 3.6584 3.6584 4.9143 4.9143 4.9184 4.9184 10.8471 10.8471 14.6269 14.6269 17.3318 17.3318 k = 0.2432 0.1279 0.0876 ( 3489 PWs) bands (ev): -19.4236 -19.4236 -18.6668 -18.6668 -18.4764 -18.4764 -18.4748 -18.4748 -18.4483 -18.4483 -18.4432 -18.4432 -2.9760 -2.9760 -2.5154 -2.5154 -2.5118 -2.5118 -1.8473 -1.8473 -1.8387 -1.8387 -1.6431 -1.6431 -1.4503 -1.4503 -1.4255 -1.4255 -1.4090 -1.4090 0.1732 0.1732 0.3945 0.3945 0.4207 0.4207 0.4542 0.4542 0.8525 0.8525 1.1032 1.1032 1.1161 1.1161 1.4245 1.4245 1.4487 1.4487 2.2066 2.2066 2.2104 2.2104 2.3141 2.3141 2.6772 2.6772 2.7631 2.7631 2.9414 2.9414 3.6467 3.6467 3.6486 3.6486 4.9451 4.9451 4.9495 4.9495 10.7698 10.7698 14.7213 14.7213 17.3364 17.3364 k = 0.2297 0.1208 0.0827 ( 3487 PWs) bands (ev): -19.4360 -19.4360 -18.6523 -18.6523 -18.4766 -18.4766 -18.4752 -18.4752 -18.4479 -18.4479 -18.4426 -18.4426 -3.0080 -3.0080 -2.5198 -2.5198 -2.5164 -2.5164 -1.8412 -1.8412 -1.8326 -1.8326 -1.6398 -1.6398 -1.4727 -1.4727 -1.4416 -1.4416 -1.4094 -1.4094 0.1673 0.1673 0.4153 0.4153 0.4695 0.4695 0.5021 0.5021 0.8849 0.8849 1.1006 1.1006 1.1132 1.1132 1.4281 1.4281 1.4526 1.4526 2.1807 2.1807 2.1826 2.1826 2.2926 2.2926 2.6630 2.6630 2.7507 2.7507 2.9488 2.9488 3.6375 3.6375 3.6402 3.6402 4.9748 4.9748 4.9795 4.9795 10.6953 10.6953 14.8145 14.8145 17.3394 17.3394 k = 0.2162 0.1137 0.0779 ( 3481 PWs) bands (ev): -19.4479 -19.4479 -18.6384 -18.6384 -18.4768 -18.4768 -18.4755 -18.4755 -18.4476 -18.4476 -18.4421 -18.4421 -3.0388 -3.0388 -2.5241 -2.5241 -2.5209 -2.5209 -1.8352 -1.8352 -1.8265 -1.8265 -1.6399 -1.6399 -1.4942 -1.4942 -1.4623 -1.4623 -1.4005 -1.4005 0.1605 0.1605 0.4316 0.4316 0.5180 0.5180 0.5499 0.5499 0.9218 0.9218 1.0986 1.0986 1.1107 1.1107 1.4313 1.4313 1.4561 1.4561 2.1542 2.1542 2.1544 2.1544 2.2710 2.2710 2.6484 2.6484 2.7374 2.7374 2.9561 2.9561 3.6294 3.6294 3.6330 3.6330 5.0033 5.0033 5.0082 5.0082 10.6236 10.6236 14.9062 14.9062 17.3405 17.3405 k = 0.2027 0.1066 0.0730 ( 3451 PWs) bands (ev): -19.4591 -19.4591 -18.6250 -18.6250 -18.4770 -18.4770 -18.4758 -18.4758 -18.4472 -18.4472 -18.4416 -18.4416 -3.0683 -3.0683 -2.5281 -2.5281 -2.5252 -2.5252 -1.8292 -1.8292 -1.8205 -1.8205 -1.6423 -1.6423 -1.5146 -1.5146 -1.4826 -1.4826 -1.3882 -1.3882 0.1532 0.1532 0.4435 0.4435 0.5659 0.5659 0.5973 0.5973 0.9625 0.9625 1.0972 1.0972 1.1088 1.1088 1.4342 1.4342 1.4593 1.4593 2.1260 2.1260 2.1274 2.1274 2.2492 2.2492 2.6335 2.6335 2.7234 2.7234 2.9633 2.9633 3.6224 3.6224 3.6269 3.6269 5.0305 5.0305 5.0356 5.0356 10.5552 10.5552 14.9963 14.9963 17.3393 17.3393 k = 0.1892 0.0995 0.0681 ( 3451 PWs) bands (ev): -19.4697 -19.4697 -18.6124 -18.6124 -18.4772 -18.4772 -18.4762 -18.4762 -18.4469 -18.4469 -18.4412 -18.4412 -3.0963 -3.0963 -2.5321 -2.5321 -2.5294 -2.5294 -1.8234 -1.8234 -1.8147 -1.8147 -1.6465 -1.6465 -1.5340 -1.5340 -1.5021 -1.5021 -1.3741 -1.3741 0.1459 0.1459 0.4516 0.4516 0.6131 0.6131 0.6439 0.6439 1.0059 1.0059 1.0963 1.0963 1.1074 1.1074 1.4368 1.4368 1.4620 1.4620 2.0974 2.0974 2.1002 2.1002 2.2273 2.2273 2.6184 2.6184 2.7089 2.7089 2.9703 2.9703 3.6165 3.6165 3.6218 3.6218 5.0563 5.0563 5.0616 5.0616 10.4900 10.4900 15.0847 15.0847 17.3354 17.3354 k = 0.1757 0.0924 0.0633 ( 3451 PWs) bands (ev): -19.4797 -19.4797 -18.6005 -18.6005 -18.4774 -18.4774 -18.4765 -18.4765 -18.4466 -18.4466 -18.4407 -18.4407 -3.1229 -3.1229 -2.5359 -2.5359 -2.5334 -2.5334 -1.8177 -1.8177 -1.8089 -1.8089 -1.6516 -1.6516 -1.5523 -1.5523 -1.5205 -1.5205 -1.3589 -1.3589 0.1388 0.1388 0.4565 0.4565 0.6594 0.6594 0.6896 0.6896 1.0507 1.0507 1.0965 1.0965 1.1063 1.1063 1.4391 1.4391 1.4645 1.4645 2.0687 2.0687 2.0728 2.0728 2.2051 2.2051 2.6033 2.6033 2.6941 2.6941 2.9769 2.9769 3.6113 3.6113 3.6177 3.6177 5.0806 5.0806 5.0862 5.0862 10.4284 10.4284 15.1710 15.1710 17.3283 17.3283 k = 0.1622 0.0853 0.0584 ( 3445 PWs) bands (ev): -19.4890 -19.4890 -18.5893 -18.5893 -18.4776 -18.4776 -18.4768 -18.4768 -18.4463 -18.4463 -18.4403 -18.4403 -3.1477 -3.1477 -2.5395 -2.5395 -2.5372 -2.5372 -1.8122 -1.8122 -1.8033 -1.8033 -1.6572 -1.6572 -1.5696 -1.5696 -1.5379 -1.5379 -1.3434 -1.3434 0.1320 0.1320 0.4590 0.4590 0.7046 0.7046 0.7341 0.7341 1.0883 1.0883 1.1053 1.1053 1.1056 1.1056 1.4413 1.4413 1.4668 1.4668 2.0401 2.0401 2.0454 2.0454 2.1828 2.1828 2.5884 2.5884 2.6793 2.6793 2.9832 2.9832 3.6070 3.6070 3.6142 3.6142 5.1033 5.1033 5.1092 5.1092 10.3704 10.3704 15.2550 15.2550 17.3178 17.3178 k = 0.1486 0.0782 0.0535 ( 3436 PWs) bands (ev): -19.4976 -19.4976 -18.5788 -18.5788 -18.4777 -18.4777 -18.4770 -18.4770 -18.4460 -18.4460 -18.4399 -18.4399 -3.1709 -3.1709 -2.5428 -2.5428 -2.5407 -2.5407 -1.8068 -1.8068 -1.7979 -1.7979 -1.6629 -1.6629 -1.5857 -1.5857 -1.5541 -1.5541 -1.3280 -1.3280 0.1256 0.1256 0.4596 0.4596 0.7485 0.7485 0.7772 0.7772 1.0935 1.0935 1.1053 1.1053 1.1473 1.1473 1.4433 1.4433 1.4688 1.4688 2.0117 2.0117 2.0182 2.0182 2.1603 2.1603 2.5740 2.5740 2.6648 2.6648 2.9892 2.9892 3.6034 3.6034 3.6115 3.6115 5.1246 5.1246 5.1306 5.1306 10.3164 10.3164 15.3364 15.3364 17.3037 17.3037 k = 0.1351 0.0711 0.0487 ( 3442 PWs) bands (ev): -19.5056 -19.5056 -18.5692 -18.5692 -18.4779 -18.4779 -18.4773 -18.4773 -18.4457 -18.4457 -18.4396 -18.4396 -3.1923 -3.1923 -2.5460 -2.5460 -2.5441 -2.5441 -1.8015 -1.8015 -1.7925 -1.7925 -1.6685 -1.6685 -1.6008 -1.6008 -1.5692 -1.5692 -1.3132 -1.3132 0.1197 0.1197 0.4587 0.4587 0.7908 0.7908 0.8186 0.8186 1.0945 1.0945 1.1051 1.1051 1.1934 1.1934 1.4454 1.4454 1.4707 1.4707 1.9836 1.9836 1.9911 1.9911 2.1375 2.1375 2.5602 2.5602 2.6508 2.6508 2.9947 2.9947 3.6004 3.6004 3.6093 3.6093 5.1441 5.1441 5.1503 5.1503 10.2664 10.2664 15.4149 15.4149 17.2860 17.2860 k = 0.1216 0.0640 0.0438 ( 3448 PWs) bands (ev): -19.5128 -19.5128 -18.5605 -18.5605 -18.4780 -18.4780 -18.4775 -18.4775 -18.4455 -18.4455 -18.4393 -18.4393 -3.2119 -3.2119 -2.5489 -2.5489 -2.5471 -2.5471 -1.7965 -1.7965 -1.7874 -1.7874 -1.6739 -1.6739 -1.6148 -1.6148 -1.5831 -1.5831 -1.2991 -1.2991 0.1143 0.1143 0.4568 0.4568 0.8312 0.8312 0.8580 0.8580 1.0953 1.0953 1.1051 1.1051 1.2388 1.2388 1.4475 1.4475 1.4725 1.4725 1.9561 1.9561 1.9645 1.9645 2.1147 2.1147 2.5471 2.5471 2.6374 2.6374 2.9997 2.9997 3.5979 3.5979 3.6075 3.6075 5.1619 5.1619 5.1683 5.1683 10.2207 10.2207 15.4899 15.4899 17.2649 17.2649 k = 0.1081 0.0569 0.0389 ( 3442 PWs) bands (ev): -19.5193 -19.5193 -18.5526 -18.5526 -18.4782 -18.4782 -18.4777 -18.4777 -18.4452 -18.4452 -18.4390 -18.4390 -3.2296 -3.2296 -2.5516 -2.5516 -2.5499 -2.5499 -1.7917 -1.7917 -1.7823 -1.7823 -1.6788 -1.6788 -1.6277 -1.6277 -1.5958 -1.5958 -1.2861 -1.2861 0.1095 0.1095 0.4543 0.4543 0.8695 0.8695 0.8950 0.8950 1.0960 1.0960 1.1051 1.1051 1.2828 1.2828 1.4500 1.4500 1.4744 1.4744 1.9295 1.9295 1.9387 1.9387 2.0920 2.0920 2.5350 2.5350 2.6249 2.6249 3.0043 3.0043 3.5959 3.5959 3.6062 3.6062 5.1780 5.1780 5.1846 5.1846 10.1793 10.1793 15.5610 15.5610 17.2410 17.2410 k = 0.0946 0.0498 0.0341 ( 3439 PWs) bands (ev): -19.5250 -19.5250 -18.5455 -18.5455 -18.4783 -18.4783 -18.4779 -18.4779 -18.4450 -18.4450 -18.4387 -18.4387 -3.2453 -3.2453 -2.5539 -2.5539 -2.5525 -2.5525 -1.7871 -1.7871 -1.7775 -1.7775 -1.6833 -1.6833 -1.6395 -1.6395 -1.6073 -1.6073 -1.2743 -1.2743 0.1053 0.1053 0.4515 0.4515 0.9054 0.9054 0.9295 0.9295 1.0966 1.0966 1.1050 1.1050 1.3245 1.3245 1.4530 1.4530 1.4763 1.4763 1.9039 1.9039 1.9139 1.9139 2.0697 2.0697 2.5240 2.5240 2.6135 2.6135 3.0084 3.0084 3.5943 3.5943 3.6052 3.6052 5.1923 5.1923 5.1991 5.1991 10.1424 10.1424 15.6275 15.6275 17.2151 17.2151 k = 0.0811 0.0426 0.0292 ( 3445 PWs) bands (ev): -19.5300 -19.5300 -18.5394 -18.5394 -18.4784 -18.4784 -18.4780 -18.4780 -18.4449 -18.4449 -18.4385 -18.4385 -3.2590 -3.2590 -2.5560 -2.5560 -2.5547 -2.5547 -1.7829 -1.7829 -1.7729 -1.7729 -1.6874 -1.6874 -1.6501 -1.6501 -1.6175 -1.6175 -1.2638 -1.2638 0.1017 0.1017 0.4485 0.4485 0.9383 0.9383 0.9609 0.9609 1.0970 1.0970 1.1046 1.1046 1.3629 1.3629 1.4567 1.4567 1.4784 1.4784 1.8799 1.8799 1.8904 1.8904 2.0481 2.0481 2.5141 2.5141 2.6032 2.6032 3.0119 3.0119 3.5930 3.5930 3.6044 3.6044 5.2047 5.2047 5.2116 5.2116 10.1101 10.1101 15.6886 15.6886 17.1883 17.1883 k = 0.0676 0.0355 0.0243 ( 3445 PWs) bands (ev): -19.5343 -19.5343 -18.5342 -18.5342 -18.4785 -18.4785 -18.4781 -18.4781 -18.4447 -18.4447 -18.4383 -18.4383 -3.2707 -3.2707 -2.5578 -2.5578 -2.5565 -2.5565 -1.7790 -1.7790 -1.7685 -1.7685 -1.6909 -1.6909 -1.6596 -1.6596 -1.6263 -1.6263 -1.2547 -1.2547 0.0987 0.0987 0.4456 0.4456 0.9681 0.9681 0.9890 0.9890 1.0970 1.0970 1.1038 1.1038 1.3968 1.3968 1.4619 1.4619 1.4806 1.4806 1.8579 1.8579 1.8688 1.8688 2.0276 2.0276 2.5056 2.5056 2.5943 2.5943 3.0149 3.0149 3.5919 3.5919 3.6038 3.6038 5.2153 5.2153 5.2223 5.2223 10.0827 10.0827 15.7432 15.7432 17.1617 17.1617 k = 0.0541 0.0284 0.0195 ( 3448 PWs) bands (ev): -19.5378 -19.5378 -18.5299 -18.5299 -18.4786 -18.4786 -18.4782 -18.4782 -18.4446 -18.4446 -18.4381 -18.4381 -3.2803 -3.2803 -2.5593 -2.5593 -2.5581 -2.5581 -1.7755 -1.7755 -1.7645 -1.7645 -1.6938 -1.6938 -1.6678 -1.6678 -1.6337 -1.6337 -1.2472 -1.2472 0.0963 0.0963 0.4430 0.4430 0.9942 0.9942 1.0135 1.0135 1.0963 1.0963 1.1023 1.1023 1.4235 1.4235 1.4700 1.4700 1.4828 1.4828 1.8386 1.8386 1.8495 1.8495 2.0088 2.0088 2.4985 2.4985 2.5869 2.5869 3.0174 3.0174 3.5911 3.5911 3.6034 3.6034 5.2241 5.2241 5.2311 5.2311 10.0600 10.0600 15.7904 15.7904 17.1369 17.1369 k = 0.0405 0.0213 0.0146 ( 3457 PWs) bands (ev): -19.5405 -19.5405 -18.5265 -18.5265 -18.4786 -18.4786 -18.4783 -18.4783 -18.4445 -18.4445 -18.4380 -18.4380 -3.2878 -3.2878 -2.5604 -2.5604 -2.5593 -2.5593 -1.7726 -1.7726 -1.7609 -1.7609 -1.6962 -1.6962 -1.6745 -1.6745 -1.6396 -1.6396 -1.2412 -1.2412 0.0944 0.0944 0.4409 0.4409 1.0163 1.0163 1.0341 1.0341 1.0948 1.0948 1.1002 1.1002 1.4405 1.4405 1.4826 1.4826 1.4850 1.4850 1.8224 1.8224 1.8333 1.8333 1.9927 1.9927 2.4929 2.4929 2.5810 2.5810 3.0192 3.0192 3.5905 3.5905 3.6031 3.6031 5.2309 5.2309 5.2380 5.2380 10.0424 10.0424 15.8289 15.8289 17.1155 17.1155 k = 0.0270 0.0142 0.0097 ( 3451 PWs) bands (ev): -19.5425 -19.5425 -18.5241 -18.5241 -18.4787 -18.4787 -18.4783 -18.4783 -18.4444 -18.4444 -18.4379 -18.4379 -3.2932 -3.2932 -2.5612 -2.5612 -2.5602 -2.5602 -1.7705 -1.7705 -1.7581 -1.7581 -1.6979 -1.6979 -1.6796 -1.6796 -1.6439 -1.6439 -1.2369 -1.2369 0.0931 0.0931 0.4392 0.4392 1.0339 1.0339 1.0507 1.0507 1.0922 1.0922 1.0973 1.0973 1.4490 1.4490 1.4868 1.4868 1.4968 1.4968 1.8103 1.8103 1.8209 1.8209 1.9802 1.9802 2.4889 2.4889 2.5768 2.5768 3.0207 3.0207 3.5901 3.5901 3.6029 3.6029 5.2357 5.2357 5.2430 5.2430 10.0297 10.0297 15.8576 15.8576 17.0988 17.0988 k = 0.0135 0.0071 0.0049 ( 3457 PWs) bands (ev): -19.5437 -19.5437 -18.5227 -18.5227 -18.4787 -18.4787 -18.4784 -18.4784 -18.4444 -18.4444 -18.4379 -18.4379 -3.2964 -3.2964 -2.5618 -2.5618 -2.5607 -2.5607 -1.7691 -1.7691 -1.7563 -1.7563 -1.6990 -1.6990 -1.6828 -1.6828 -1.6465 -1.6465 -1.2344 -1.2344 0.0923 0.0923 0.4382 0.4382 1.0457 1.0457 1.0625 1.0625 1.0889 1.0889 1.0944 1.0944 1.4530 1.4530 1.4880 1.4880 1.5073 1.5073 1.8027 1.8027 1.8131 1.8131 1.9722 1.9722 2.4865 2.4865 2.5742 2.5742 3.0215 3.0215 3.5898 3.5898 3.6027 3.6027 5.2387 5.2387 5.2459 5.2459 10.0220 10.0220 15.8753 15.8753 17.0882 17.0882 k = 0.0000 0.0000 0.0000 ( 3445 PWs) bands (ev): -19.5440 -19.5440 -18.5222 -18.5222 -18.4787 -18.4787 -18.4784 -18.4784 -18.4444 -18.4444 -18.4378 -18.4378 -3.2975 -3.2975 -2.5619 -2.5619 -2.5609 -2.5609 -1.7686 -1.7686 -1.7557 -1.7557 -1.6994 -1.6994 -1.6839 -1.6839 -1.6474 -1.6474 -1.2335 -1.2335 0.0920 0.0920 0.4379 0.4379 1.0501 1.0501 1.0675 1.0675 1.0868 1.0868 1.0931 1.0931 1.4541 1.4541 1.4884 1.4884 1.5112 1.5112 1.8001 1.8001 1.8104 1.8104 1.9694 1.9694 2.4857 2.4857 2.5734 2.5734 3.0218 3.0218 3.5897 3.5897 3.6027 3.6027 5.2397 5.2397 5.2469 5.2469 10.0195 10.0195 15.8812 15.8812 17.0846 17.0846 k = 0.0000 0.0000 0.0000 ( 3445 PWs) bands (ev): -19.5440 -19.5440 -18.5222 -18.5222 -18.4787 -18.4787 -18.4784 -18.4784 -18.4444 -18.4444 -18.4378 -18.4378 -3.2975 -3.2975 -2.5619 -2.5619 -2.5609 -2.5609 -1.7686 -1.7686 -1.7557 -1.7557 -1.6994 -1.6994 -1.6839 -1.6839 -1.6474 -1.6474 -1.2335 -1.2335 0.0920 0.0920 0.4379 0.4379 1.0501 1.0501 1.0675 1.0675 1.0868 1.0868 1.0931 1.0931 1.4541 1.4541 1.4884 1.4884 1.5112 1.5112 1.8001 1.8001 1.8104 1.8104 1.9694 1.9694 2.4857 2.4857 2.5734 2.5734 3.0218 3.0218 3.5897 3.5897 3.6027 3.6027 5.2397 5.2397 5.2469 5.2469 10.0195 10.0195 15.8812 15.8812 17.0846 17.0846 k = 0.0075-0.0052-0.0133 ( 3453 PWs) bands (ev): -19.5437 -19.5437 -18.5222 -18.5222 -18.4789 -18.4789 -18.4785 -18.4785 -18.4445 -18.4445 -18.4379 -18.4379 -3.2971 -3.2971 -2.5616 -2.5616 -2.5606 -2.5606 -1.7718 -1.7718 -1.7587 -1.7587 -1.6939 -1.6939 -1.6838 -1.6838 -1.6471 -1.6471 -1.2334 -1.2334 0.0922 0.0922 0.4382 0.4382 1.0499 1.0499 1.0667 1.0667 1.0860 1.0860 1.0931 1.0931 1.4521 1.4521 1.4856 1.4856 1.5099 1.5099 1.8021 1.8021 1.8128 1.8128 1.9712 1.9712 2.4864 2.4864 2.5740 2.5740 3.0216 3.0216 3.5897 3.5897 3.6027 3.6027 5.2389 5.2389 5.2462 5.2462 10.0220 10.0220 15.8834 15.8834 17.0724 17.0724 k = 0.0150-0.0103-0.0266 ( 3451 PWs) bands (ev): -19.5426 -19.5426 -18.5221 -18.5221 -18.4793 -18.4793 -18.4790 -18.4790 -18.4448 -18.4448 -18.4382 -18.4382 -3.2957 -3.2957 -2.5607 -2.5607 -2.5593 -2.5593 -1.7813 -1.7813 -1.7643 -1.7643 -1.6852 -1.6852 -1.6798 -1.6798 -1.6458 -1.6458 -1.2330 -1.2330 0.0926 0.0926 0.4391 0.4391 1.0492 1.0492 1.0642 1.0642 1.0837 1.0837 1.0932 1.0932 1.4456 1.4456 1.4777 1.4777 1.5064 1.5064 1.8078 1.8078 1.8198 1.8198 1.9765 1.9765 2.4883 2.4883 2.5759 2.5759 3.0210 3.0210 3.5897 3.5897 3.6026 3.6026 5.2364 5.2364 5.2442 5.2442 10.0297 10.0297 15.8898 15.8898 17.0385 17.0385 k = 0.0225-0.0155-0.0398 ( 3455 PWs) bands (ev): -19.5407 -19.5407 -18.5219 -18.5219 -18.4801 -18.4801 -18.4797 -18.4797 -18.4453 -18.4453 -18.4386 -18.4386 -3.2935 -3.2935 -2.5595 -2.5595 -2.5571 -2.5571 -1.7942 -1.7942 -1.7709 -1.7709 -1.6849 -1.6849 -1.6671 -1.6671 -1.6412 -1.6412 -1.2324 -1.2324 0.0934 0.0934 0.4404 0.4404 1.0479 1.0479 1.0604 1.0604 1.0797 1.0797 1.0932 1.0932 1.4338 1.4338 1.4668 1.4668 1.5011 1.5011 1.8166 1.8166 1.8308 1.8308 1.9852 1.9852 2.4913 2.4913 2.5792 2.5792 3.0201 3.0201 3.5894 3.5894 3.6026 3.6026 5.2316 5.2316 5.2415 5.2415 10.0424 10.0424 15.9004 15.9004 16.9881 16.9881 k = 0.0300-0.0206-0.0531 ( 3453 PWs) bands (ev): -19.5381 -19.5381 -18.5216 -18.5216 -18.4813 -18.4813 -18.4806 -18.4806 -18.4462 -18.4462 -18.4391 -18.4391 -3.2905 -3.2905 -2.5580 -2.5580 -2.5539 -2.5539 -1.8080 -1.8080 -1.7788 -1.7788 -1.6854 -1.6854 -1.6599 -1.6599 -1.6285 -1.6285 -1.2315 -1.2315 0.0944 0.0944 0.4422 0.4422 1.0452 1.0452 1.0560 1.0560 1.0744 1.0744 1.0929 1.0929 1.4163 1.4163 1.4549 1.4549 1.4947 1.4947 1.8279 1.8279 1.8448 1.8448 1.9970 1.9970 2.4953 2.4953 2.5840 2.5840 3.0188 3.0188 3.5890 3.5890 3.6027 3.6027 5.2245 5.2245 5.2384 5.2384 10.0601 10.0601 15.9152 15.9152 16.9264 16.9264 k = 0.0375-0.0258-0.0664 ( 3447 PWs) bands (ev): -19.5348 -19.5348 -18.5213 -18.5213 -18.4830 -18.4830 -18.4817 -18.4817 -18.4475 -18.4475 -18.4394 -18.4394 -3.2866 -3.2866 -2.5562 -2.5562 -2.5497 -2.5497 -1.8216 -1.8216 -1.7884 -1.7884 -1.6861 -1.6861 -1.6581 -1.6581 -1.6092 -1.6092 -1.2302 -1.2302 0.0955 0.0955 0.4443 0.4443 1.0394 1.0394 1.0520 1.0520 1.0685 1.0685 1.0918 1.0918 1.3938 1.3938 1.4429 1.4429 1.4873 1.4873 1.8410 1.8410 1.8612 1.8612 2.0115 2.0115 2.4998 2.4998 2.5906 2.5906 3.0172 3.0172 3.5882 3.5882 3.6033 3.6033 5.2149 5.2149 5.2347 5.2347 10.0827 10.0827 15.9340 15.9340 16.8571 16.8571 k = 0.0450-0.0309-0.0797 ( 3447 PWs) bands (ev): -19.5307 -19.5307 -18.5210 -18.5210 -18.4851 -18.4851 -18.4829 -18.4829 -18.4491 -18.4491 -18.4397 -18.4397 -3.2819 -3.2819 -2.5539 -2.5539 -2.5446 -2.5446 -1.8346 -1.8346 -1.7995 -1.7995 -1.6871 -1.6871 -1.6584 -1.6584 -1.5873 -1.5873 -1.2285 -1.2285 0.0967 0.0967 0.4464 0.4464 1.0293 1.0293 1.0490 1.0490 1.0628 1.0628 1.0898 1.0898 1.3684 1.3684 1.4304 1.4304 1.4796 1.4796 1.8556 1.8556 1.8792 1.8792 2.0283 2.0283 2.5046 2.5046 2.5989 2.5989 3.0152 3.0152 3.5869 3.5869 3.6044 3.6044 5.2030 5.2030 5.2305 5.2305 10.1103 10.1103 15.9568 15.9568 16.7827 16.7827 k = 0.0525-0.0361-0.0930 ( 3457 PWs) bands (ev): -19.5259 -19.5259 -18.5207 -18.5207 -18.4877 -18.4877 -18.4843 -18.4843 -18.4510 -18.4510 -18.4400 -18.4400 -3.2763 -3.2763 -2.5514 -2.5514 -2.5386 -2.5386 -1.8468 -1.8468 -1.8121 -1.8121 -1.6884 -1.6884 -1.6596 -1.6596 -1.5640 -1.5640 -1.2264 -1.2264 0.0978 0.0978 0.4484 0.4484 1.0151 1.0151 1.0456 1.0456 1.0583 1.0583 1.0868 1.0868 1.3416 1.3416 1.4174 1.4174 1.4718 1.4718 1.8710 1.8710 1.8984 1.8984 2.0469 2.0469 2.5094 2.5094 2.6090 2.6090 3.0128 3.0128 3.5851 3.5851 3.6061 3.6061 5.1890 5.1890 5.2256 5.2256 10.1426 10.1426 15.9833 15.9833 16.7046 16.7046 k = 0.0600-0.0412-0.1063 ( 3463 PWs) bands (ev): -19.5205 -19.5205 -18.5204 -18.5204 -18.4909 -18.4909 -18.4858 -18.4858 -18.4531 -18.4531 -18.4402 -18.4402 -3.2701 -3.2701 -2.5485 -2.5485 -2.5318 -2.5318 -1.8580 -1.8580 -1.8259 -1.8259 -1.6899 -1.6899 -1.6612 -1.6612 -1.5401 -1.5401 -1.2235 -1.2235 0.0987 0.0987 0.4501 0.4501 0.9970 0.9970 1.0409 1.0409 1.0554 1.0554 1.0829 1.0829 1.3149 1.3149 1.4035 1.4035 1.4644 1.4644 1.8871 1.8871 1.9188 1.9188 2.0671 2.0671 2.5139 2.5139 2.6209 2.6209 3.0102 3.0102 3.5828 3.5828 3.6086 3.6086 5.1728 5.1728 5.2200 5.2200 10.1796 10.1796 16.0135 16.0135 16.6239 16.6239 k = 0.0674-0.0464-0.1195 ( 3461 PWs) bands (ev): -19.5143 -19.5143 -18.5203 -18.5203 -18.4947 -18.4947 -18.4872 -18.4872 -18.4552 -18.4552 -18.4405 -18.4405 -3.2630 -3.2630 -2.5453 -2.5453 -2.5242 -2.5242 -1.8684 -1.8684 -1.8409 -1.8409 -1.6915 -1.6915 -1.6630 -1.6630 -1.5158 -1.5158 -1.2200 -1.2200 0.0992 0.0992 0.4512 0.4512 0.9751 0.9751 1.0346 1.0346 1.0539 1.0539 1.0783 1.0783 1.2893 1.2893 1.3888 1.3888 1.4576 1.4576 1.9036 1.9036 1.9400 1.9400 2.0883 2.0883 2.5181 2.5181 2.6344 2.6344 3.0073 3.0073 3.5802 3.5802 3.6120 3.6120 5.1546 5.1546 5.2137 5.2137 10.2211 10.2211 16.0468 16.0468 16.5415 16.5415 k = 0.0749-0.0515-0.1328 ( 3461 PWs) bands (ev): -19.5074 -19.5074 -18.5204 -18.5204 -18.4992 -18.4992 -18.4886 -18.4886 -18.4574 -18.4574 -18.4407 -18.4407 -3.2553 -3.2553 -2.5418 -2.5418 -2.5158 -2.5158 -1.8779 -1.8779 -1.8567 -1.8567 -1.6933 -1.6933 -1.6649 -1.6649 -1.4915 -1.4915 -1.2154 -1.2154 0.0990 0.0990 0.4515 0.4515 0.9494 0.9494 1.0270 1.0270 1.0529 1.0529 1.0738 1.0738 1.2656 1.2656 1.3733 1.3733 1.4517 1.4517 1.9204 1.9204 1.9618 1.9618 2.1104 2.1104 2.5220 2.5220 2.6493 2.6493 3.0042 3.0042 3.5773 3.5773 3.6163 3.6163 5.1344 5.1344 5.2068 5.2068 10.2671 10.2671 16.0831 16.0831 16.4580 16.4580 k = 0.0824-0.0567-0.1461 ( 3465 PWs) bands (ev): -19.4998 -19.4998 -18.5209 -18.5209 -18.5043 -18.5043 -18.4898 -18.4898 -18.4595 -18.4595 -18.4411 -18.4411 -3.2469 -3.2469 -2.5381 -2.5381 -2.5066 -2.5066 -1.8872 -1.8872 -1.8726 -1.8726 -1.6951 -1.6951 -1.6667 -1.6667 -1.4676 -1.4676 -1.2096 -1.2096 0.0980 0.0980 0.4508 0.4508 0.9203 0.9203 1.0178 1.0178 1.0514 1.0514 1.0706 1.0706 1.2443 1.2443 1.3569 1.3569 1.4468 1.4468 1.9375 1.9375 1.9841 1.9841 2.1330 2.1330 2.5256 2.5256 2.6650 2.6650 3.0008 3.0008 3.5742 3.5742 3.6217 3.6217 5.1122 5.1122 5.1992 5.1992 10.3173 10.3173 16.1216 16.1216 16.3739 16.3739 k = 0.0899-0.0618-0.1594 ( 3463 PWs) bands (ev): -19.4916 -19.4916 -18.5219 -18.5219 -18.5098 -18.5098 -18.4907 -18.4907 -18.4615 -18.4615 -18.4415 -18.4415 -3.2379 -3.2379 -2.5342 -2.5342 -2.4968 -2.4968 -1.8986 -1.8986 -1.8863 -1.8863 -1.6969 -1.6969 -1.6683 -1.6683 -1.4443 -1.4443 -1.2024 -1.2024 0.0958 0.0958 0.4489 0.4489 0.8881 0.8881 1.0068 1.0068 1.0489 1.0489 1.0698 1.0698 1.2257 1.2257 1.3398 1.3398 1.4428 1.4428 1.9547 1.9547 2.0068 2.0068 2.1560 2.1560 2.5288 2.5288 2.6814 2.6814 2.9973 2.9973 3.5709 3.5709 3.6283 3.6283 5.0883 5.0883 5.1909 5.1909 10.3717 10.3717 16.1607 16.1607 16.2909 16.2909 k = 0.0974-0.0670-0.1727 ( 3468 PWs) bands (ev): -19.4827 -19.4827 -18.5240 -18.5240 -18.5155 -18.5155 -18.4913 -18.4913 -18.4634 -18.4634 -18.4420 -18.4420 -3.2284 -3.2284 -2.5302 -2.5302 -2.4864 -2.4864 -1.9148 -1.9148 -1.8949 -1.8949 -1.6988 -1.6988 -1.6694 -1.6694 -1.4221 -1.4221 -1.1933 -1.1933 0.0921 0.0921 0.4455 0.4455 0.8533 0.8533 0.9938 0.9938 1.0460 1.0460 1.0711 1.0711 1.2096 1.2096 1.3221 1.3221 1.4398 1.4398 1.9720 1.9720 2.0296 2.0296 2.1792 2.1792 2.5318 2.5318 2.6979 2.6979 2.9937 2.9937 3.5675 3.5675 3.6362 3.6362 5.0625 5.0625 5.1819 5.1819 10.4301 10.4301 16.1802 16.1802 16.2284 16.2284 k = 0.1049-0.0721-0.1860 ( 3468 PWs) bands (ev): -19.4732 -19.4732 -18.5281 -18.5281 -18.5203 -18.5203 -18.4915 -18.4915 -18.4652 -18.4652 -18.4426 -18.4426 -3.2184 -3.2184 -2.5261 -2.5261 -2.4754 -2.4754 -1.9333 -1.9333 -1.9007 -1.9007 -1.7005 -1.7005 -1.6699 -1.6699 -1.4013 -1.4013 -1.1821 -1.1821 0.0866 0.0866 0.4407 0.4407 0.8168 0.8168 0.9788 0.9788 1.0435 1.0435 1.0741 1.0741 1.1958 1.1958 1.3039 1.3039 1.4375 1.4375 1.9895 1.9895 2.0526 2.0526 2.2025 2.2025 2.5347 2.5347 2.7142 2.7142 2.9902 2.9902 3.5641 3.5641 3.6455 3.6455 5.0351 5.0351 5.1722 5.1722 10.4922 10.4922 16.1110 16.1110 16.2549 16.2549 k = 0.1124-0.0773-0.1992 ( 3474 PWs) bands (ev): -19.4631 -19.4631 -18.5346 -18.5346 -18.5236 -18.5236 -18.4913 -18.4913 -18.4670 -18.4670 -18.4433 -18.4433 -3.2079 -3.2079 -2.5219 -2.5219 -2.4638 -2.4638 -1.9529 -1.9529 -1.9050 -1.9050 -1.7021 -1.7021 -1.6697 -1.6697 -1.3824 -1.3824 -1.1684 -1.1684 0.0788 0.0788 0.4343 0.4343 0.7793 0.7793 0.9622 0.9622 1.0419 1.0419 1.0781 1.0781 1.1839 1.1839 1.2854 1.2854 1.4357 1.4357 2.0070 2.0070 2.0755 2.0755 2.2258 2.2258 2.5374 2.5374 2.7298 2.7298 2.9867 2.9867 3.5607 3.5607 3.6564 3.6564 5.0060 5.0060 5.1619 5.1619 10.5579 10.5579 16.0274 16.0274 16.2946 16.2946 k = 0.1199-0.0824-0.2125 ( 3472 PWs) bands (ev): -19.4524 -19.4524 -18.5426 -18.5426 -18.5266 -18.5266 -18.4908 -18.4908 -18.4686 -18.4686 -18.4440 -18.4440 -3.1970 -3.1970 -2.5178 -2.5178 -2.4519 -2.4519 -1.9729 -1.9729 -1.9083 -1.9083 -1.7035 -1.7035 -1.6685 -1.6685 -1.3655 -1.3655 -1.1520 -1.1520 0.0684 0.0684 0.4263 0.4263 0.7417 0.7417 0.9442 0.9442 1.0414 1.0414 1.0829 1.0829 1.1734 1.1734 1.2669 1.2669 1.4344 1.4344 2.0246 2.0246 2.0983 2.0983 2.2489 2.2489 2.5399 2.5399 2.7443 2.7443 2.9836 2.9836 3.5575 3.5575 3.6691 3.6691 4.9755 4.9755 5.1509 5.1509 10.6271 10.6271 15.9430 15.9430 16.3316 16.3316 k = 0.1274-0.0876-0.2258 ( 3470 PWs) bands (ev): -19.4411 -19.4411 -18.5513 -18.5513 -18.5296 -18.5296 -18.4901 -18.4901 -18.4701 -18.4701 -18.4449 -18.4449 -3.1858 -3.1858 -2.5139 -2.5139 -2.4396 -2.4396 -1.9931 -1.9931 -1.9105 -1.9105 -1.7046 -1.7046 -1.6662 -1.6662 -1.3506 -1.3506 -1.1331 -1.1331 0.0549 0.0549 0.4168 0.4168 0.7048 0.7048 0.9252 0.9252 1.0418 1.0418 1.0881 1.0881 1.1640 1.1640 1.2486 1.2486 1.4334 1.4334 2.0423 2.0423 2.1209 2.1209 2.2719 2.2719 2.5424 2.5424 2.7572 2.7572 2.9809 2.9809 3.5545 3.5545 3.6837 3.6837 4.9435 4.9435 5.1394 5.1394 10.6996 10.6996 15.8587 15.8587 16.3612 16.3612 k = 0.1349-0.0927-0.2391 ( 3468 PWs) bands (ev): -19.4293 -19.4293 -18.5606 -18.5606 -18.5329 -18.5329 -18.4893 -18.4893 -18.4714 -18.4714 -18.4458 -18.4458 -3.1744 -3.1744 -2.5102 -2.5102 -2.4271 -2.4271 -2.0133 -2.0133 -1.9117 -1.9117 -1.7054 -1.7054 -1.6628 -1.6628 -1.3377 -1.3377 -1.1119 -1.1119 0.0380 0.0380 0.4060 0.4060 0.6693 0.6693 0.9054 0.9054 1.0432 1.0432 1.0936 1.0936 1.1553 1.1553 1.2310 1.2310 1.4323 1.4323 2.0599 2.0599 2.1431 2.1431 2.2947 2.2947 2.5450 2.5450 2.7681 2.7681 2.9789 2.9789 3.5517 3.5517 3.7002 3.7002 4.9103 4.9103 5.1271 5.1271 10.7751 10.7751 15.7749 15.7749 16.3776 16.3776 k = 0.1424-0.0979-0.2524 ( 3472 PWs) bands (ev): -19.4170 -19.4170 -18.5705 -18.5705 -18.5363 -18.5363 -18.4886 -18.4886 -18.4724 -18.4724 -18.4468 -18.4468 -3.1627 -3.1627 -2.5070 -2.5070 -2.4145 -2.4145 -2.0333 -2.0333 -1.9120 -1.9120 -1.7058 -1.7058 -1.6582 -1.6582 -1.3264 -1.3264 -1.0887 -1.0887 0.0175 0.0175 0.3940 0.3940 0.6357 0.6357 0.8850 0.8850 1.0453 1.0453 1.0987 1.0987 1.1469 1.1469 1.2146 1.2146 1.4312 1.4312 2.0774 2.0774 2.1649 2.1649 2.3171 2.3171 2.5475 2.5475 2.7768 2.7768 2.9776 2.9776 3.5493 3.5493 3.7187 3.7187 4.8759 4.8759 5.1144 5.1144 10.8534 10.8534 15.6919 15.6919 16.3750 16.3750 k = 0.1499-0.1030-0.2656 ( 3472 PWs) bands (ev): -19.4041 -19.4041 -18.5807 -18.5807 -18.5400 -18.5400 -18.4880 -18.4880 -18.4731 -18.4731 -18.4479 -18.4479 -3.1510 -3.1510 -2.5043 -2.5043 -2.4019 -2.4019 -2.0528 -2.0528 -1.9113 -1.9113 -1.7056 -1.7056 -1.6523 -1.6523 -1.3163 -1.3163 -1.0641 -1.0641 -0.0067 -0.0067 0.3809 0.3809 0.6045 0.6045 0.8642 0.8642 1.0479 1.0479 1.1024 1.1024 1.1391 1.1391 1.2003 1.2003 1.4299 1.4299 2.0949 2.0949 2.1862 2.1862 2.3392 2.3392 2.5501 2.5501 2.7829 2.7829 2.9773 2.9773 3.5473 3.5473 3.7392 3.7392 4.8405 4.8405 5.1010 5.1010 10.9345 10.9345 15.6098 15.6098 16.3517 16.3517 k = 0.1574-0.1082-0.2789 ( 3476 PWs) bands (ev): -19.3908 -19.3908 -18.5913 -18.5913 -18.5438 -18.5438 -18.4879 -18.4879 -18.4734 -18.4734 -18.4490 -18.4490 -3.1392 -3.1392 -2.5025 -2.5025 -2.3894 -2.3894 -2.0716 -2.0716 -1.9096 -1.9096 -1.7049 -1.7049 -1.6451 -1.6451 -1.3071 -1.3071 -1.0386 -1.0386 -0.0344 -0.0344 0.3671 0.3671 0.5758 0.5758 0.8431 0.8431 1.0507 1.0507 1.1024 1.1024 1.1331 1.1331 1.1891 1.1891 1.4282 1.4282 2.1123 2.1123 2.2068 2.2068 2.3608 2.3608 2.5528 2.5528 2.7863 2.7863 2.9779 2.9779 3.5458 3.5458 3.7617 3.7617 4.8042 4.8042 5.0870 5.0870 11.0180 11.0180 15.5287 15.5287 16.3109 16.3109 k = 0.1649-0.1134-0.2922 ( 3476 PWs) bands (ev): -19.3770 -19.3770 -18.6022 -18.6022 -18.5478 -18.5478 -18.4882 -18.4882 -18.4731 -18.4731 -18.4501 -18.4501 -3.1274 -3.1274 -2.5016 -2.5016 -2.3771 -2.3771 -2.0893 -2.0893 -1.9067 -1.9067 -1.7034 -1.7034 -1.6365 -1.6365 -1.2985 -1.2985 -1.0128 -1.0128 -0.0652 -0.0652 0.3527 0.3527 0.5497 0.5497 0.8218 0.8218 1.0530 1.0530 1.0967 1.0967 1.1306 1.1306 1.1818 1.1818 1.4261 1.4261 2.1295 2.1295 2.2265 2.2265 2.3820 2.3820 2.5558 2.5558 2.7870 2.7870 2.9794 2.9794 3.5449 3.5449 3.7861 3.7861 4.7672 4.7672 5.0725 5.0725 11.1038 11.1038 15.4489 15.4489 16.2585 16.2585 k = 0.1724-0.1185-0.3055 ( 3474 PWs) bands (ev): -19.3629 -19.3629 -18.6134 -18.6134 -18.5519 -18.5519 -18.4889 -18.4889 -18.4725 -18.4725 -18.4512 -18.4512 -3.1157 -3.1157 -2.5020 -2.5020 -2.3654 -2.3654 -2.1056 -2.1056 -1.9027 -1.9027 -1.7013 -1.7013 -1.6265 -1.6265 -1.2901 -1.2901 -0.9874 -0.9874 -0.0984 -0.0984 0.3378 0.3378 0.5262 0.5262 0.8006 0.8006 1.0529 1.0529 1.0880 1.0880 1.1301 1.1301 1.1786 1.1786 1.4235 1.4235 2.1466 2.1466 2.2454 2.2454 2.4026 2.4026 2.5591 2.5591 2.7852 2.7852 2.9818 2.9818 3.5446 3.5446 3.8121 3.8121 4.7298 4.7298 5.0574 5.0574 11.1917 11.1917 15.3703 15.3703 16.1989 16.1989 k = 0.1799-0.1237-0.3188 ( 3480 PWs) bands (ev): -19.3484 -19.3484 -18.6249 -18.6249 -18.5561 -18.5561 -18.4901 -18.4901 -18.4716 -18.4716 -18.4522 -18.4522 -3.1041 -3.1041 -2.5039 -2.5039 -2.3544 -2.3544 -2.1201 -2.1201 -1.8974 -1.8974 -1.6984 -1.6984 -1.6153 -1.6153 -1.2818 -1.2818 -0.9630 -0.9630 -0.1330 -0.1330 0.3225 0.3225 0.5049 0.5049 0.7794 0.7794 1.0466 1.0466 1.0823 1.0823 1.1294 1.1294 1.1792 1.1792 1.4202 1.4202 2.1633 2.1633 2.2631 2.2631 2.4225 2.4225 2.5629 2.5629 2.7812 2.7812 2.9846 2.9846 3.5450 3.5450 3.8395 3.8395 4.6922 4.6922 5.0418 5.0418 11.2814 11.2814 15.2933 15.2933 16.1353 16.1353 k = 0.1873-0.1288-0.3321 ( 3478 PWs) bands (ev): -19.3335 -19.3335 -18.6364 -18.6364 -18.5603 -18.5603 -18.4915 -18.4915 -18.4707 -18.4707 -18.4530 -18.4530 -3.0927 -3.0927 -2.5074 -2.5074 -2.3444 -2.3444 -2.1323 -2.1323 -1.8907 -1.8907 -1.6945 -1.6945 -1.6028 -1.6028 -1.2733 -1.2733 -0.9405 -0.9405 -0.1679 -0.1679 0.3069 0.3069 0.4856 0.4856 0.7584 0.7584 1.0333 1.0333 1.0819 1.0819 1.1277 1.1277 1.1827 1.1827 1.4163 1.4163 2.1798 2.1798 2.2795 2.2795 2.4417 2.4417 2.5672 2.5672 2.7754 2.7754 2.9879 2.9879 3.5461 3.5461 3.8681 3.8681 4.6547 4.6547 5.0258 5.0258 11.3727 11.3727 15.2179 15.2179 16.0696 16.0696 k = 0.1948-0.1340-0.3453 ( 3474 PWs) bands (ev): -19.3183 -19.3183 -18.6481 -18.6481 -18.5647 -18.5647 -18.4931 -18.4931 -18.4700 -18.4700 -18.4533 -18.4533 -3.0816 -3.0816 -2.5129 -2.5129 -2.3359 -2.3359 -2.1416 -2.1416 -1.8827 -1.8827 -1.6898 -1.6898 -1.5892 -1.5892 -1.2645 -1.2645 -0.9208 -0.9208 -0.2018 -0.2018 0.2910 0.2910 0.4681 0.4681 0.7377 0.7377 1.0160 1.0160 1.0841 1.0841 1.1256 1.1256 1.1880 1.1880 1.4117 1.4117 2.1959 2.1959 2.2945 2.2945 2.4600 2.4600 2.5722 2.5722 2.7681 2.7681 2.9913 2.9913 3.5480 3.5480 3.8973 3.8973 4.6177 4.6177 5.0092 5.0092 11.4655 11.4655 15.1442 15.1442 16.0030 16.0030 k = 0.2023-0.1391-0.3586 ( 3474 PWs) bands (ev): -19.3029 -19.3029 -18.6599 -18.6599 -18.5691 -18.5691 -18.4948 -18.4948 -18.4699 -18.4699 -18.4532 -18.4532 -3.0709 -3.0709 -2.5203 -2.5203 -2.3294 -2.3294 -2.1475 -2.1475 -1.8733 -1.8733 -1.6841 -1.6841 -1.5744 -1.5744 -1.2553 -1.2553 -0.9049 -0.9049 -0.2331 -0.2331 0.2751 0.2751 0.4520 0.4520 0.7172 0.7172 0.9971 0.9971 1.0866 1.0866 1.1236 1.1236 1.1943 1.1943 1.4063 1.4063 2.2116 2.2116 2.3078 2.3078 2.4773 2.4773 2.5777 2.5777 2.7598 2.7598 2.9947 2.9947 3.5507 3.5507 3.9265 3.9265 4.5818 4.5818 4.9922 4.9922 11.5595 11.5595 15.0725 15.0725 15.9362 15.9362 k = 0.2098-0.1443-0.3719 ( 3478 PWs) bands (ev): -19.2873 -19.2873 -18.6717 -18.6717 -18.5735 -18.5735 -18.4966 -18.4966 -18.4702 -18.4702 -18.4525 -18.4525 -3.0605 -3.0605 -2.5298 -2.5298 -2.3252 -2.3252 -2.1495 -2.1495 -1.8624 -1.8624 -1.6773 -1.6773 -1.5586 -1.5586 -1.2456 -1.2456 -0.8941 -0.8941 -0.2603 -0.2603 0.2590 0.2590 0.4372 0.4372 0.6972 0.6972 0.9773 0.9773 1.0880 1.0880 1.1226 1.1226 1.2010 1.2010 1.4001 1.4001 2.2268 2.2268 2.3193 2.3193 2.4937 2.4937 2.5838 2.5838 2.7511 2.7511 2.9980 2.9980 3.5543 3.5543 3.9549 3.9549 4.5476 4.5476 4.9748 4.9748 11.6544 11.6544 15.0029 15.0029 15.8697 15.8697 k = 0.2173-0.1494-0.3852 ( 3476 PWs) bands (ev): -19.2716 -19.2716 -18.6835 -18.6835 -18.5780 -18.5780 -18.4985 -18.4985 -18.4712 -18.4712 -18.4513 -18.4513 -3.0506 -3.0506 -2.5413 -2.5413 -2.3236 -2.3236 -2.1475 -2.1475 -1.8502 -1.8502 -1.6695 -1.6695 -1.5418 -1.5418 -1.2354 -1.2354 -0.8896 -0.8896 -0.2818 -0.2818 0.2429 0.2429 0.4234 0.4234 0.6777 0.6777 0.9573 0.9573 1.0871 1.0871 1.1234 1.1234 1.2078 1.2078 1.3931 1.3931 2.2414 2.2414 2.3290 2.3290 2.5090 2.5090 2.5899 2.5899 2.7427 2.7427 3.0012 3.0012 3.5586 3.5586 3.9816 3.9816 4.5163 4.5163 4.9570 4.9570 11.7501 11.7501 14.9356 14.9356 15.8038 15.8038 k = 0.2248-0.1546-0.3985 ( 3480 PWs) bands (ev): -19.2558 -19.2558 -18.6951 -18.6951 -18.5825 -18.5825 -18.5005 -18.5005 -18.4725 -18.4725 -18.4497 -18.4497 -3.0411 -3.0411 -2.5547 -2.5547 -2.3245 -2.3245 -2.1415 -2.1415 -1.8368 -1.8368 -1.6606 -1.6606 -1.5242 -1.5242 -1.2249 -1.2249 -0.8920 -0.8920 -0.2963 -0.2963 0.2269 0.2269 0.4104 0.4104 0.6588 0.6588 0.9371 0.9371 1.0836 1.0836 1.1261 1.1261 1.2145 1.2145 1.3853 1.3853 2.2553 2.2553 2.3366 2.3366 2.5231 2.5231 2.5956 2.5956 2.7353 2.7353 3.0042 3.0042 3.5638 3.5638 4.0050 4.0050 4.4889 4.4889 4.9387 4.9387 11.8461 11.8461 14.8707 14.8707 15.7390 15.7390 k = 0.2323-0.1597-0.4117 ( 3478 PWs) bands (ev): -19.2399 -19.2399 -18.7067 -18.7067 -18.5870 -18.5870 -18.5025 -18.5025 -18.4742 -18.4742 -18.4478 -18.4478 -3.0322 -3.0322 -2.5698 -2.5698 -2.3277 -2.3277 -2.1319 -2.1319 -1.8221 -1.8221 -1.6505 -1.6505 -1.5058 -1.5058 -1.2141 -1.2141 -0.9017 -0.9017 -0.3033 -0.3033 0.2112 0.2112 0.3982 0.3982 0.6406 0.6406 0.9169 0.9169 1.0779 1.0779 1.1301 1.1301 1.2208 1.2208 1.3767 1.3767 2.2683 2.2683 2.3424 2.3424 2.5360 2.5360 2.6000 2.6000 2.7301 2.7301 3.0070 3.0070 3.5698 3.5698 4.0236 4.0236 4.4674 4.4674 4.9202 4.9202 11.9424 11.9424 14.8086 14.8086 15.6753 15.6753 k = 0.2398-0.1649-0.4250 ( 3478 PWs) bands (ev): -19.2240 -19.2240 -18.7179 -18.7179 -18.5916 -18.5916 -18.5045 -18.5045 -18.4761 -18.4761 -18.4458 -18.4458 -3.0239 -3.0239 -2.5863 -2.5863 -2.3327 -2.3327 -2.1192 -2.1192 -1.8064 -1.8064 -1.6392 -1.6392 -1.4868 -1.4868 -1.2035 -1.2035 -0.9179 -0.9179 -0.3027 -0.3027 0.1956 0.1956 0.3866 0.3866 0.6232 0.6232 0.8969 0.8969 1.0704 1.0704 1.1350 1.1350 1.2268 1.2268 1.3673 1.3673 2.2804 2.2804 2.3464 2.3464 2.5470 2.5470 2.6027 2.6027 2.7281 2.7281 3.0096 3.0096 3.5766 3.5766 4.0352 4.0352 4.4536 4.4536 4.9013 4.9013 12.0384 12.0384 14.7495 14.7495 15.6129 15.6129 k = 0.2473-0.1700-0.4383 ( 3470 PWs) bands (ev): -19.2083 -19.2083 -18.7289 -18.7289 -18.5960 -18.5960 -18.5065 -18.5065 -18.4782 -18.4782 -18.4437 -18.4437 -3.0162 -3.0162 -2.6040 -2.6040 -2.3390 -2.3390 -2.1041 -2.1041 -1.7897 -1.7897 -1.6267 -1.6267 -1.4671 -1.4671 -1.1935 -1.1935 -0.9391 -0.9391 -0.2955 -0.2955 0.1805 0.1805 0.3756 0.3756 0.6069 0.6069 0.8772 0.8772 1.0613 1.0613 1.1403 1.1403 1.2322 1.2322 1.3572 1.3572 2.2912 2.2912 2.3489 2.3489 2.5547 2.5547 2.6045 2.6045 2.7300 2.7300 3.0121 3.0121 3.5842 3.5842 4.0383 4.0383 4.4491 4.4491 4.8822 4.8822 12.1339 12.1339 14.6937 14.6937 15.5520 15.5520 k = 0.2548-0.1752-0.4516 ( 3466 PWs) bands (ev): -19.1928 -19.1928 -18.7395 -18.7395 -18.6005 -18.6005 -18.5085 -18.5085 -18.4804 -18.4804 -18.4415 -18.4415 -3.0091 -3.0091 -2.6227 -2.6227 -2.3464 -2.3464 -2.0869 -2.0869 -1.7724 -1.7724 -1.6129 -1.6129 -1.4470 -1.4470 -1.1854 -1.1854 -0.9630 -0.9630 -0.2829 -0.2829 0.1657 0.1657 0.3652 0.3652 0.5916 0.5916 0.8577 0.8577 1.0507 1.0507 1.1458 1.1458 1.2370 1.2370 1.3465 1.3465 2.3006 2.3006 2.3502 2.3502 2.5568 2.5568 2.6077 2.6077 2.7356 2.7356 3.0144 3.0144 3.5924 3.5924 4.0322 4.0322 4.4544 4.4544 4.8629 4.8629 12.2284 12.2284 14.6415 14.6415 15.4926 15.4926 k = 0.2623-0.1803-0.4649 ( 3476 PWs) bands (ev): -19.1776 -19.1776 -18.7496 -18.7496 -18.6050 -18.6050 -18.5106 -18.5106 -18.4827 -18.4827 -18.4394 -18.4394 -3.0028 -3.0028 -2.6422 -2.6422 -2.3547 -2.3547 -2.0681 -2.0681 -1.7545 -1.7545 -1.5980 -1.5980 -1.4264 -1.4264 -1.1811 -1.1811 -0.9862 -0.9862 -0.2661 -0.2661 0.1515 0.1515 0.3554 0.3554 0.5776 0.5776 0.8386 0.8386 1.0387 1.0387 1.1512 1.1512 1.2411 1.2411 1.3352 1.3352 2.3078 2.3078 2.3509 2.3509 2.5520 2.5520 2.6143 2.6143 2.7442 2.7442 3.0165 3.0165 3.6013 3.6013 4.0177 4.0177 4.4688 4.4688 4.8433 4.8433 12.3215 12.3215 14.5934 14.5934 15.4349 15.4349 k = 0.2698-0.1855-0.4782 ( 3484 PWs) bands (ev): -19.1628 -19.1628 -18.7591 -18.7591 -18.6094 -18.6094 -18.5126 -18.5126 -18.4851 -18.4851 -18.4374 -18.4374 -2.9974 -2.9974 -2.6621 -2.6621 -2.3636 -2.3636 -2.0479 -2.0479 -1.7361 -1.7361 -1.5820 -1.5820 -1.4055 -1.4055 -1.1835 -1.1835 -1.0045 -1.0045 -0.2466 -0.2466 0.1378 0.1378 0.3463 0.3463 0.5652 0.5652 0.8199 0.8199 1.0253 1.0253 1.1565 1.1565 1.2442 1.2442 1.3235 1.3235 2.3125 2.3125 2.3515 2.3515 2.5417 2.5417 2.6236 2.6236 2.7548 2.7548 3.0185 3.0185 3.6107 3.6107 3.9965 3.9965 4.4906 4.4906 4.8235 4.8235 12.4127 12.4127 14.5497 14.5497 15.3789 15.3789 k = 0.2773-0.1906-0.4914 ( 3480 PWs) bands (ev): -19.1485 -19.1485 -18.7679 -18.7679 -18.6138 -18.6138 -18.5147 -18.5147 -18.4876 -18.4876 -18.4354 -18.4354 -2.9927 -2.9927 -2.6823 -2.6823 -2.3729 -2.3729 -2.0265 -2.0265 -1.7174 -1.7174 -1.5650 -1.5650 -1.3844 -1.3844 -1.1953 -1.1953 -1.0139 -1.0139 -0.2254 -0.2254 0.1246 0.1246 0.3378 0.3378 0.5546 0.5546 0.8017 0.8017 1.0105 1.0105 1.1614 1.1614 1.2461 1.2461 1.3120 1.3120 2.3141 2.3141 2.3526 2.3526 2.5282 2.5282 2.6344 2.6344 2.7669 2.7669 3.0205 3.0205 3.6206 3.6206 3.9705 3.9705 4.5180 4.5180 4.8037 4.8037 12.5014 12.5014 14.5110 14.5110 15.3247 15.3247 k = 0.2848-0.1958-0.5047 ( 3484 PWs) bands (ev): -19.1349 -19.1349 -18.7758 -18.7758 -18.6181 -18.6181 -18.5167 -18.5167 -18.4901 -18.4901 -18.4334 -18.4334 -2.9890 -2.9890 -2.7025 -2.7025 -2.3826 -2.3826 -2.0042 -2.0042 -1.6986 -1.6986 -1.5471 -1.5471 -1.3631 -1.3631 -1.2168 -1.2168 -1.0135 -1.0135 -0.2035 -0.2035 0.1121 0.1121 0.3302 0.3302 0.5461 0.5461 0.7840 0.7840 0.9943 0.9943 1.1659 1.1659 1.2463 1.2463 1.3010 1.3010 2.3125 2.3125 2.3541 2.3541 2.5128 2.5128 2.6456 2.6456 2.7796 2.7796 3.0223 3.0223 3.6310 3.6310 3.9412 3.9412 4.5492 4.5492 4.7838 4.7838 12.5869 12.5869 14.4780 14.4780 15.2723 15.2723 k = 0.2923-0.2009-0.5180 ( 3484 PWs) bands (ev): -19.1222 -19.1222 -18.7827 -18.7827 -18.6224 -18.6224 -18.5187 -18.5187 -18.4927 -18.4927 -18.4316 -18.4316 -2.9863 -2.9863 -2.7226 -2.7226 -2.3925 -2.3925 -1.9811 -1.9811 -1.6798 -1.6798 -1.5289 -1.5289 -1.3419 -1.3419 -1.2447 -1.2447 -1.0052 -1.0052 -0.1819 -0.1819 0.1001 0.1001 0.3235 0.3235 0.5400 0.5400 0.7669 0.7669 0.9767 0.9767 1.1697 1.1697 1.2441 1.2441 1.2916 1.2916 2.3082 2.3082 2.3554 2.3554 2.4965 2.4965 2.6570 2.6570 2.7928 2.7928 3.0241 3.0241 3.6418 3.6418 3.9100 3.9100 4.5830 4.5830 4.7639 4.7639 12.6684 12.6684 14.4513 14.4513 15.2217 15.2217 k = 0.2998-0.2061-0.5313 ( 3476 PWs) bands (ev): -19.1104 -19.1104 -18.7885 -18.7885 -18.6266 -18.6266 -18.5207 -18.5207 -18.4953 -18.4953 -18.4299 -18.4299 -2.9848 -2.9848 -2.7421 -2.7421 -2.4026 -2.4026 -1.9574 -1.9574 -1.6609 -1.6609 -1.5108 -1.5108 -1.3217 -1.3217 -1.2746 -1.2746 -0.9917 -0.9917 -0.1613 -0.1613 0.0886 0.0886 0.3178 0.3178 0.5366 0.5366 0.7504 0.7504 0.9578 0.9578 1.1723 1.1723 1.2390 1.2390 1.2846 1.2846 2.3017 2.3017 2.3558 2.3558 2.4800 2.4800 2.6683 2.6683 2.8060 2.8060 3.0259 3.0259 3.6528 3.6528 3.8780 3.8780 4.6186 4.6186 4.7441 4.7441 12.7451 12.7451 14.4317 14.4317 15.1732 15.1732 k = 0.3072-0.2112-0.5446 ( 3484 PWs) bands (ev): -19.0997 -19.0997 -18.7930 -18.7930 -18.6307 -18.6307 -18.5227 -18.5227 -18.4980 -18.4980 -18.4284 -18.4284 -2.9846 -2.9846 -2.7609 -2.7609 -2.4129 -2.4129 -1.9332 -1.9332 -1.6423 -1.6423 -1.4943 -1.4943 -1.3156 -1.3156 -1.2899 -1.2899 -0.9748 -0.9748 -0.1422 -0.1422 0.0776 0.0776 0.3131 0.3131 0.5364 0.5364 0.7346 0.7346 0.9375 0.9375 1.1729 1.1729 1.2319 1.2319 1.2803 1.2803 2.2933 2.2933 2.3546 2.3546 2.4640 2.4640 2.6791 2.6791 2.8190 2.8190 3.0276 3.0276 3.6641 3.6641 3.8457 3.8457 4.6550 4.6550 4.7244 4.7244 12.8162 12.8162 14.4199 14.4199 15.1266 15.1266 k = 0.3147-0.2164-0.5579 ( 3486 PWs) bands (ev): -19.0904 -19.0904 -18.7960 -18.7960 -18.6347 -18.6347 -18.5246 -18.5246 -18.5006 -18.5006 -18.4270 -18.4270 -2.9860 -2.9860 -2.7787 -2.7787 -2.4232 -2.4232 -1.9087 -1.9087 -1.6239 -1.6239 -1.4821 -1.4821 -1.3372 -1.3372 -1.2728 -1.2728 -0.9557 -0.9557 -0.1250 -0.1250 0.0668 0.0668 0.3095 0.3095 0.5396 0.5396 0.7195 0.7195 0.9159 0.9159 1.1702 1.1702 1.2247 1.2247 1.2776 1.2776 2.2830 2.2830 2.3515 2.3515 2.4490 2.4490 2.6896 2.6896 2.8317 2.8317 3.0292 3.0292 3.6755 3.6755 3.8137 3.8137 4.6914 4.6914 4.7054 4.7054 12.8807 12.8807 14.4168 14.4168 15.0822 15.0822 k = 0.3222-0.2216-0.5711 ( 3486 PWs) bands (ev): -19.0825 -19.0825 -18.7974 -18.7974 -18.6386 -18.6386 -18.5265 -18.5265 -18.5033 -18.5033 -18.4257 -18.4257 -2.9890 -2.9890 -2.7951 -2.7951 -2.4334 -2.4334 -1.8840 -1.8840 -1.6060 -1.6060 -1.4792 -1.4792 -1.3523 -1.3523 -1.2517 -1.2517 -0.9353 -0.9353 -0.1100 -0.1100 0.0561 0.0561 0.3068 0.3068 0.5464 0.5464 0.7052 0.7052 0.8932 0.8932 1.1629 1.1629 1.2197 1.2197 1.2759 1.2759 2.2708 2.2708 2.3465 2.3465 2.4353 2.4353 2.6997 2.6997 2.8439 2.8439 3.0309 3.0309 3.6870 3.6870 3.7827 3.7827 4.6851 4.6851 4.7294 4.7294 12.9378 12.9378 14.4229 14.4229 15.0399 15.0399 k = 0.3297-0.2267-0.5844 ( 3480 PWs) bands (ev): -19.0762 -19.0762 -18.7971 -18.7971 -18.6424 -18.6424 -18.5284 -18.5284 -18.5060 -18.5060 -18.4246 -18.4246 -2.9939 -2.9939 -2.8100 -2.8100 -2.4436 -2.4436 -1.8592 -1.8592 -1.5891 -1.5891 -1.4894 -1.4894 -1.3526 -1.3526 -1.2301 -1.2301 -0.9140 -0.9140 -0.0971 -0.0971 0.0455 0.0455 0.3051 0.3051 0.5569 0.5569 0.6919 0.6919 0.8694 0.8694 1.1510 1.1510 1.2176 1.2176 1.2746 1.2746 2.2566 2.2566 2.3398 2.3398 2.4229 2.4229 2.7092 2.7092 2.8557 2.8557 3.0325 3.0325 3.6984 3.6984 3.7528 3.7528 4.6662 4.6662 4.7661 4.7661 12.9871 12.9871 14.4387 14.4387 15.0000 15.0000 k = 0.3372-0.2319-0.5977 ( 3486 PWs) bands (ev): -19.0715 -19.0715 -18.7952 -18.7952 -18.6461 -18.6461 -18.5302 -18.5302 -18.5086 -18.5086 -18.4237 -18.4237 -3.0009 -3.0009 -2.8230 -2.8230 -2.4537 -2.4537 -1.8346 -1.8346 -1.5749 -1.5749 -1.5080 -1.5080 -1.3406 -1.3406 -1.2083 -1.2083 -0.8922 -0.8922 -0.0862 -0.0862 0.0346 0.0346 0.3042 0.3042 0.5707 0.5707 0.6798 0.6798 0.8447 0.8447 1.1355 1.1355 1.2175 1.2175 1.2734 1.2734 2.2401 2.2401 2.3318 2.3318 2.4115 2.4115 2.7181 2.7181 2.8669 2.8669 3.0340 3.0340 3.7096 3.7096 3.7244 3.7244 4.6475 4.6475 4.8023 4.8023 13.0281 13.0281 14.4641 14.4641 14.9626 14.9626 k = 0.3447-0.2370-0.6110 ( 3488 PWs) bands (ev): -19.0683 -19.0683 -18.7915 -18.7915 -18.6497 -18.6497 -18.5320 -18.5320 -18.5113 -18.5113 -18.4230 -18.4230 -3.0099 -3.0099 -2.8340 -2.8340 -2.4636 -2.4636 -1.8105 -1.8105 -1.5702 -1.5702 -1.5221 -1.5221 -1.3217 -1.3217 -1.1866 -1.1866 -0.8703 -0.8703 -0.0770 -0.0770 0.0234 0.0234 0.3041 0.3041 0.5869 0.5869 0.6696 0.6696 0.8193 0.8193 1.1179 1.1179 1.2183 1.2183 1.2722 1.2722 2.2215 2.2215 2.3232 2.3232 2.4005 2.4005 2.7264 2.7264 2.8774 2.8774 3.0355 3.0355 3.6970 3.6970 3.7213 3.7213 4.6292 4.6292 4.8379 4.8379 13.0610 13.0610 14.4986 14.4986 14.9283 14.9283 k = 0.3522-0.2422-0.6243 ( 3488 PWs) bands (ev): -19.0665 -19.0665 -18.7864 -18.7864 -18.6532 -18.6532 -18.5337 -18.5337 -18.5140 -18.5140 -18.4225 -18.4225 -3.0207 -3.0207 -2.8432 -2.8432 -2.4734 -2.4734 -1.7873 -1.7873 -1.5845 -1.5845 -1.5186 -1.5186 -1.2994 -1.2994 -1.1649 -1.1649 -0.8486 -0.8486 -0.0691 -0.0691 0.0118 0.0118 0.3046 0.3046 0.6031 0.6031 0.6631 0.6631 0.7938 0.7938 1.0987 1.0987 1.2193 1.2193 1.2711 1.2711 2.2009 2.2009 2.3145 2.3145 2.3897 2.3897 2.7342 2.7342 2.8873 2.8873 3.0370 3.0370 3.6720 3.6720 3.7323 3.7323 4.6113 4.6113 4.8726 4.8726 13.0861 13.0861 14.5408 14.5408 14.8979 14.8979 k = 0.3597-0.2473-0.6375 ( 3484 PWs) bands (ev): -19.0660 -19.0660 -18.7798 -18.7798 -18.6565 -18.6565 -18.5354 -18.5354 -18.5167 -18.5167 -18.4221 -18.4221 -3.0332 -3.0332 -2.8506 -2.8506 -2.4829 -2.4829 -1.7658 -1.7658 -1.6071 -1.6071 -1.5057 -1.5057 -1.2752 -1.2752 -1.1434 -1.1434 -0.8272 -0.8272 -0.0621 -0.0621 -0.0000 -0.0000 0.3058 0.3058 0.6135 0.6135 0.6650 0.6650 0.7691 0.7691 1.0785 1.0785 1.2201 1.2201 1.2702 1.2702 2.1785 2.1785 2.3058 2.3058 2.3785 2.3785 2.7414 2.7414 2.8966 2.8966 3.0385 3.0385 3.6487 3.6487 3.7431 3.7431 4.5940 4.5940 4.9063 4.9063 13.1042 13.1042 14.5879 14.5879 14.8733 14.8733 k = 0.3672-0.2525-0.6508 ( 3482 PWs) bands (ev): -19.0667 -19.0667 -18.7720 -18.7720 -18.6597 -18.6597 -18.5370 -18.5370 -18.5195 -18.5195 -18.4220 -18.4220 -3.0469 -3.0469 -2.8565 -2.8565 -2.4921 -2.4921 -1.7478 -1.7478 -1.6284 -1.6284 -1.4907 -1.4907 -1.2501 -1.2501 -1.1219 -1.1219 -0.8065 -0.8065 -0.0558 -0.0558 -0.0120 -0.0120 0.3075 0.3075 0.6138 0.6138 0.6758 0.6758 0.7486 0.7486 1.0575 1.0575 1.2202 1.2202 1.2697 1.2697 2.1546 2.1546 2.2973 2.2973 2.3668 2.3668 2.7479 2.7479 2.9051 2.9051 3.0399 3.0399 3.6274 3.6274 3.7536 3.7536 4.5773 4.5773 4.9388 4.9388 13.1161 13.1161 14.6344 14.6344 14.8593 14.8593 k = 0.6328 0.0105-0.4708 ( 3482 PWs) bands (ev): -19.0666 -19.0666 -18.7720 -18.7720 -18.6601 -18.6601 -18.5368 -18.5368 -18.5196 -18.5196 -18.4218 -18.4218 -3.0470 -3.0470 -2.8566 -2.8566 -2.4919 -2.4919 -1.7477 -1.7477 -1.6282 -1.6282 -1.4905 -1.4905 -1.2502 -1.2502 -1.1221 -1.1221 -0.8066 -0.8066 -0.0559 -0.0559 -0.0119 -0.0119 0.3072 0.3072 0.6136 0.6136 0.6758 0.6758 0.7486 0.7486 1.0576 1.0576 1.2203 1.2203 1.2699 1.2699 2.1547 2.1547 2.2973 2.2973 2.3669 2.3669 2.7480 2.7480 2.9052 2.9052 3.0398 3.0398 3.6275 3.6275 3.7534 3.7534 4.5772 4.5772 4.9390 4.9390 13.1161 13.1161 14.6344 14.6344 14.8592 14.8592 k = 0.6254 0.0246-0.4708 ( 3474 PWs) bands (ev): -19.0681 -19.0681 -18.7634 -18.7634 -18.6631 -18.6631 -18.5383 -18.5383 -18.5223 -18.5223 -18.4218 -18.4218 -3.0614 -3.0614 -2.8612 -2.8612 -2.5006 -2.5006 -1.7374 -1.7374 -1.6420 -1.6420 -1.4753 -1.4753 -1.2250 -1.2250 -1.1011 -1.1011 -0.7870 -0.7870 -0.0507 -0.0507 -0.0231 -0.0231 0.3094 0.3094 0.6082 0.6082 0.6794 0.6794 0.7438 0.7438 1.0364 1.0364 1.2198 1.2198 1.2698 1.2698 2.1300 2.1300 2.2889 2.2889 2.3549 2.3549 2.7539 2.7539 2.9130 2.9130 3.0412 3.0412 3.6084 3.6084 3.7634 3.7634 4.5613 4.5613 4.9698 4.9698 13.1228 13.1228 14.6691 14.6691 14.8650 14.8650 k = 0.6180 0.0386-0.4708 ( 3474 PWs) bands (ev): -19.0704 -19.0704 -18.7541 -18.7541 -18.6659 -18.6659 -18.5398 -18.5398 -18.5249 -18.5249 -18.4221 -18.4221 -3.0762 -3.0762 -2.8649 -2.8649 -2.5091 -2.5091 -1.7392 -1.7392 -1.6432 -1.6432 -1.4604 -1.4604 -1.1996 -1.1996 -1.0803 -1.0803 -0.7685 -0.7685 -0.0493 -0.0493 -0.0306 -0.0306 0.3121 0.3121 0.6010 0.6010 0.6643 0.6643 0.7618 0.7618 1.0149 1.0149 1.2184 1.2184 1.2703 1.2703 2.1043 2.1043 2.2803 2.2803 2.3426 2.3426 2.7592 2.7592 2.9201 2.9201 3.0425 3.0425 3.5911 3.5911 3.7730 3.7730 4.5462 4.5462 4.9993 4.9993 13.1254 13.1254 14.6825 14.6825 14.8996 14.8996 k = 0.6107 0.0526-0.4708 ( 3476 PWs) bands (ev): -19.0731 -19.0731 -18.7443 -18.7443 -18.6686 -18.6686 -18.5412 -18.5412 -18.5276 -18.5276 -18.4224 -18.4224 -3.0914 -3.0914 -2.8679 -2.8679 -2.5171 -2.5171 -1.7517 -1.7517 -1.6331 -1.6331 -1.4459 -1.4459 -1.1743 -1.1743 -1.0597 -1.0597 -0.7512 -0.7512 -0.0567 -0.0567 -0.0290 -0.0290 0.3152 0.3152 0.5931 0.5931 0.6416 0.6416 0.7904 0.7904 0.9930 0.9930 1.2161 1.2161 1.2714 1.2714 2.0779 2.0779 2.2712 2.2712 2.3303 2.3303 2.7641 2.7641 2.9266 2.9266 3.0438 3.0438 3.5757 3.5757 3.7822 3.7822 4.5317 4.5317 5.0273 5.0273 13.1249 13.1249 14.6778 14.6778 14.9587 14.9587 k = 0.6033 0.0666-0.4708 ( 3478 PWs) bands (ev): -19.0762 -19.0762 -18.7341 -18.7341 -18.6712 -18.6712 -18.5426 -18.5426 -18.5303 -18.5303 -18.4230 -18.4230 -3.1064 -3.1064 -2.8703 -2.8703 -2.5248 -2.5248 -1.7691 -1.7691 -1.6173 -1.6173 -1.4321 -1.4321 -1.1493 -1.1493 -1.0393 -1.0393 -0.7352 -0.7352 -0.0684 -0.0684 -0.0226 -0.0226 0.3186 0.3186 0.5839 0.5839 0.6183 0.6183 0.8228 0.8228 0.9711 0.9711 1.2131 1.2131 1.2731 1.2731 2.0509 2.0509 2.2613 2.2613 2.3185 2.3185 2.7684 2.7684 2.9325 2.9325 3.0451 3.0451 3.5619 3.5619 3.7909 3.7909 4.5181 4.5181 5.0539 5.0539 13.1220 13.1220 14.6645 14.6645 15.0319 15.0319 k = 0.5959 0.0807-0.4708 ( 3472 PWs) bands (ev): -19.0796 -19.0796 -18.7237 -18.7237 -18.6735 -18.6735 -18.5439 -18.5439 -18.5330 -18.5330 -18.4237 -18.4237 -3.1212 -3.1212 -2.8723 -2.8723 -2.5320 -2.5320 -1.7878 -1.7878 -1.5995 -1.5995 -1.4189 -1.4189 -1.1248 -1.1248 -1.0191 -1.0191 -0.7207 -0.7207 -0.0811 -0.0811 -0.0145 -0.0145 0.3222 0.3222 0.5711 0.5711 0.5989 0.5989 0.8569 0.8569 0.9492 0.9492 1.2095 1.2095 1.2752 1.2752 2.0236 2.0236 2.2502 2.2502 2.3078 2.3078 2.7722 2.7722 2.9379 2.9379 3.0464 3.0464 3.5498 3.5498 3.7992 3.7992 4.5053 4.5053 5.0789 5.0789 13.1173 13.1173 14.6482 14.6482 15.1128 15.1128 k = 0.5885 0.0947-0.4708 ( 3474 PWs) bands (ev): -19.0830 -19.0830 -18.7133 -18.7133 -18.6757 -18.6757 -18.5452 -18.5452 -18.5357 -18.5357 -18.4245 -18.4245 -3.1354 -3.1354 -2.8740 -2.8740 -2.5388 -2.5388 -1.8062 -1.8062 -1.5814 -1.5814 -1.4065 -1.4065 -1.1011 -1.1011 -0.9992 -0.9992 -0.7078 -0.7078 -0.0939 -0.0939 -0.0054 -0.0054 0.3257 0.3257 0.5519 0.5519 0.5868 0.5868 0.8916 0.8916 0.9278 0.9278 1.2054 1.2054 1.2776 1.2776 1.9960 1.9960 2.2377 2.2377 2.2984 2.2984 2.7756 2.7756 2.9426 2.9426 3.0476 3.0476 3.5392 3.5392 3.8068 3.8068 4.4933 4.4933 5.1023 5.1023 13.1114 13.1114 14.6312 14.6312 15.1984 15.1984 k = 0.5812 0.1087-0.4708 ( 3472 PWs) bands (ev): -19.0865 -19.0865 -18.7030 -18.7030 -18.6775 -18.6775 -18.5465 -18.5465 -18.5384 -18.5384 -18.4255 -18.4255 -3.1491 -3.1491 -2.8754 -2.8754 -2.5452 -2.5452 -1.8237 -1.8237 -1.5636 -1.5636 -1.3949 -1.3949 -1.0783 -1.0783 -0.9796 -0.9796 -0.6965 -0.6965 -0.1065 -0.1065 0.0045 0.0045 0.3291 0.3291 0.5297 0.5297 0.5796 0.5796 0.9046 0.9046 0.9284 0.9284 1.2010 1.2010 1.2804 1.2804 1.9684 1.9684 2.2240 2.2240 2.2904 2.2904 2.7786 2.7786 2.9468 2.9468 3.0488 3.0488 3.5301 3.5301 3.8140 3.8140 4.4822 4.4822 5.1240 5.1240 13.1048 13.1048 14.6145 14.6145 15.2869 15.2869 k = 0.5738 0.1227-0.4708 ( 3474 PWs) bands (ev): -19.0899 -19.0899 -18.6932 -18.6932 -18.6789 -18.6789 -18.5478 -18.5478 -18.5410 -18.5410 -18.4265 -18.4265 -3.1620 -3.1620 -2.8766 -2.8766 -2.5510 -2.5510 -1.8400 -1.8400 -1.5467 -1.5467 -1.3841 -1.3841 -1.0566 -1.0566 -0.9605 -0.9605 -0.6868 -0.6868 -0.1188 -0.1188 0.0149 0.0149 0.3319 0.3319 0.5075 0.5075 0.5746 0.5746 0.8841 0.8841 0.9626 0.9626 1.1964 1.1964 1.2834 1.2834 1.9411 1.9411 2.2094 2.2094 2.2839 2.2839 2.7812 2.7812 2.9505 2.9505 3.0500 3.0500 3.5222 3.5222 3.8205 3.8205 4.4720 4.4720 5.1440 5.1440 13.0978 13.0978 14.5988 14.5988 15.3771 15.3771 k = 0.5664 0.1368-0.4708 ( 3482 PWs) bands (ev): -19.0931 -19.0931 -18.6859 -18.6859 -18.6778 -18.6778 -18.5494 -18.5494 -18.5434 -18.5434 -18.4276 -18.4276 -3.1739 -3.1739 -2.8776 -2.8776 -2.5564 -2.5564 -1.8548 -1.8548 -1.5309 -1.5309 -1.3743 -1.3743 -1.0362 -1.0362 -0.9420 -0.9420 -0.6787 -0.6787 -0.1306 -0.1306 0.0258 0.0258 0.3339 0.3339 0.4869 0.4869 0.5708 0.5708 0.8637 0.8637 0.9967 0.9967 1.1919 1.1919 1.2865 1.2865 1.9141 1.9141 2.1945 2.1945 2.2784 2.2784 2.7834 2.7834 2.9537 2.9537 3.0511 3.0511 3.5154 3.5154 3.8265 3.8265 4.4628 4.4628 5.1622 5.1622 13.0909 13.0909 14.5843 14.5843 15.4681 15.4681 k = 0.5590 0.1508-0.4708 ( 3486 PWs) bands (ev): -19.0962 -19.0962 -18.6848 -18.6848 -18.6708 -18.6708 -18.5513 -18.5513 -18.5454 -18.5454 -18.4288 -18.4288 -3.1849 -3.1849 -2.8785 -2.8785 -2.5613 -2.5613 -1.8682 -1.8682 -1.5163 -1.5163 -1.3654 -1.3654 -1.0174 -1.0174 -0.9243 -0.9243 -0.6721 -0.6721 -0.1417 -0.1417 0.0368 0.0368 0.3345 0.3345 0.4688 0.4688 0.5681 0.5681 0.8441 0.8441 1.0296 1.0296 1.1874 1.1874 1.2897 1.2897 1.8878 1.8878 2.1797 2.1797 2.2739 2.2739 2.7853 2.7853 2.9565 2.9565 3.0521 3.0521 3.5096 3.5096 3.8319 3.8319 4.4544 4.4544 5.1786 5.1786 13.0841 13.0841 14.5711 14.5711 15.5590 15.5590 k = 0.5516 0.1648-0.4708 ( 3486 PWs) bands (ev): -19.0989 -19.0989 -18.6856 -18.6856 -18.6621 -18.6621 -18.5537 -18.5537 -18.5470 -18.5470 -18.4299 -18.4299 -3.1948 -3.1948 -2.8793 -2.8793 -2.5656 -2.5656 -1.8799 -1.8799 -1.5031 -1.5031 -1.3575 -1.3575 -1.0002 -1.0002 -0.9076 -0.9076 -0.6669 -0.6669 -0.1520 -0.1520 0.0476 0.0476 0.3335 0.3335 0.4538 0.4538 0.5662 0.5662 0.8255 0.8255 1.0609 1.0609 1.1832 1.1832 1.2929 1.2929 1.8625 1.8625 2.1655 2.1655 2.2702 2.2702 2.7869 2.7869 2.9589 2.9589 3.0531 3.0531 3.5049 3.5049 3.8366 3.8366 4.4471 4.4471 5.1932 5.1932 13.0777 13.0777 14.5593 14.5593 15.6489 15.6489 k = 0.5443 0.1789-0.4708 ( 3482 PWs) bands (ev): -19.1014 -19.1014 -18.6866 -18.6866 -18.6536 -18.6536 -18.5565 -18.5565 -18.5481 -18.5481 -18.4309 -18.4309 -3.2035 -3.2035 -2.8799 -2.8799 -2.5693 -2.5693 -1.8902 -1.8902 -1.4915 -1.4915 -1.3506 -1.3506 -0.9849 -0.9849 -0.8923 -0.8923 -0.6629 -0.6629 -0.1614 -0.1614 0.0580 0.0580 0.3305 0.3305 0.4423 0.4423 0.5650 0.5650 0.8083 0.8083 1.0899 1.0899 1.1793 1.1793 1.2961 1.2961 1.8387 1.8387 2.1524 2.1524 2.2671 2.2671 2.7882 2.7882 2.9609 2.9609 3.0540 3.0540 3.5009 3.5009 3.8407 3.8407 4.4407 4.4407 5.2058 5.2058 13.0720 13.0720 14.5491 14.5491 15.7368 15.7368 k = 0.5369 0.1929-0.4708 ( 3486 PWs) bands (ev): -19.1036 -19.1036 -18.6875 -18.6875 -18.6457 -18.6457 -18.5595 -18.5595 -18.5489 -18.5489 -18.4319 -18.4319 -3.2110 -3.2110 -2.8805 -2.8805 -2.5725 -2.5725 -1.8988 -1.8988 -1.4815 -1.4815 -1.3447 -1.3447 -0.9715 -0.9715 -0.8785 -0.8785 -0.6599 -0.6599 -0.1698 -0.1698 0.0676 0.0676 0.3259 0.3259 0.4343 0.4343 0.5644 0.5644 0.7928 0.7928 1.1161 1.1161 1.1758 1.1758 1.2993 1.2993 1.8168 1.8168 2.1406 2.1406 2.2646 2.2646 2.7892 2.7892 2.9625 2.9625 3.0548 3.0548 3.4977 3.4977 3.8442 3.8442 4.4353 4.4353 5.2166 5.2166 13.0669 13.0669 14.5404 14.5404 15.8212 15.8212 k = 0.5295 0.2069-0.4708 ( 3482 PWs) bands (ev): -19.1053 -19.1053 -18.6883 -18.6883 -18.6385 -18.6385 -18.5625 -18.5625 -18.5495 -18.5495 -18.4328 -18.4328 -3.2171 -3.2171 -2.8809 -2.8809 -2.5751 -2.5751 -1.9059 -1.9059 -1.4733 -1.4733 -1.3399 -1.3399 -0.9603 -0.9603 -0.8667 -0.8667 -0.6579 -0.6579 -0.1768 -0.1768 0.0762 0.0762 0.3203 0.3203 0.4293 0.4293 0.5643 0.5643 0.7793 0.7793 1.1389 1.1389 1.1728 1.1728 1.3022 1.3022 1.7974 1.7974 2.1305 2.1305 2.2626 2.2626 2.7901 2.7901 2.9638 2.9638 3.0554 3.0554 3.4952 3.4952 3.8471 3.8471 4.4309 4.4309 5.2255 5.2255 13.0626 13.0626 14.5333 14.5333 15.9000 15.9000 k = 0.5221 0.2209-0.4708 ( 3490 PWs) bands (ev): -19.1068 -19.1068 -18.6889 -18.6889 -18.6324 -18.6324 -18.5654 -18.5654 -18.5499 -18.5499 -18.4335 -18.4335 -3.2220 -3.2220 -2.8813 -2.8813 -2.5772 -2.5772 -1.9114 -1.9114 -1.4668 -1.4668 -1.3361 -1.3361 -0.9514 -0.9514 -0.8572 -0.8572 -0.6565 -0.6565 -0.1825 -0.1825 0.0832 0.0832 0.3147 0.3147 0.4264 0.4264 0.5645 0.5645 0.7683 0.7683 1.1573 1.1573 1.1705 1.1705 1.3049 1.3049 1.7813 1.7813 2.1223 2.1223 2.2610 2.2610 2.7907 2.7907 2.9648 2.9648 3.0559 3.0559 3.4933 3.4933 3.8493 3.8493 4.4275 4.4275 5.2324 5.2324 13.0592 13.0592 14.5277 14.5277 15.9690 15.9690 k = 0.5148 0.2350-0.4708 ( 3490 PWs) bands (ev): -19.1078 -19.1078 -18.6894 -18.6894 -18.6276 -18.6276 -18.5678 -18.5678 -18.5502 -18.5502 -18.4341 -18.4341 -3.2255 -3.2255 -2.8816 -2.8816 -2.5787 -2.5787 -1.9153 -1.9153 -1.4621 -1.4621 -1.3333 -1.3333 -0.9449 -0.9449 -0.8502 -0.8502 -0.6556 -0.6556 -0.1867 -0.1867 0.0885 0.0885 0.3100 0.3100 0.4249 0.4249 0.5648 0.5648 0.7600 0.7600 1.1682 1.1682 1.1717 1.1717 1.3071 1.3071 1.7690 1.7690 2.1164 2.1164 2.2599 2.2599 2.7912 2.7912 2.9655 2.9655 3.0563 3.0563 3.4920 3.4920 3.8509 3.8509 4.4250 4.4250 5.2373 5.2373 13.0567 13.0567 14.5237 14.5237 16.0205 16.0205 k = 0.5074 0.2490-0.4708 ( 3488 PWs) bands (ev): -19.1084 -19.1084 -18.6896 -18.6896 -18.6245 -18.6245 -18.5695 -18.5695 -18.5504 -18.5504 -18.4344 -18.4344 -3.2276 -3.2276 -2.8817 -2.8817 -2.5796 -2.5796 -1.9177 -1.9177 -1.4593 -1.4593 -1.3317 -1.3317 -0.9410 -0.9410 -0.8459 -0.8459 -0.6552 -0.6552 -0.1893 -0.1893 0.0918 0.0918 0.3069 0.3069 0.4242 0.4242 0.5651 0.5651 0.7549 0.7549 1.1675 1.1675 1.1798 1.1798 1.3085 1.3085 1.7614 1.7614 2.1127 2.1127 2.2593 2.2593 2.7914 2.7914 2.9659 2.9659 3.0565 3.0565 3.4912 3.4912 3.8518 3.8518 4.4236 4.4236 5.2403 5.2403 13.0552 13.0552 14.5213 14.5213 16.0474 16.0475 k = 0.5000 0.2630-0.4708 ( 3488 PWs) bands (ev): -19.1086 -19.1086 -18.6897 -18.6897 -18.6235 -18.6235 -18.5701 -18.5701 -18.5505 -18.5505 -18.4345 -18.4345 -3.2283 -3.2283 -2.8817 -2.8817 -2.5799 -2.5799 -1.9184 -1.9184 -1.4584 -1.4584 -1.3311 -1.3311 -0.9397 -0.9397 -0.8445 -0.8445 -0.6550 -0.6550 -0.1901 -0.1901 0.0929 0.0929 0.3059 0.3059 0.4240 0.4240 0.5652 0.5652 0.7532 0.7532 1.1672 1.1672 1.1827 1.1827 1.3091 1.3091 1.7588 1.7588 2.1115 2.1115 2.2591 2.2591 2.7915 2.7915 2.9660 2.9660 3.0566 3.0566 3.4910 3.4910 3.8522 3.8522 4.4231 4.4231 5.2412 5.2412 13.0547 13.0547 14.5205 14.5205 16.0547 16.0547 k = 0.5000 0.2630-0.4708 ( 3488 PWs) bands (ev): -19.1086 -19.1086 -18.6897 -18.6897 -18.6235 -18.6235 -18.5701 -18.5701 -18.5505 -18.5505 -18.4345 -18.4345 -3.2283 -3.2283 -2.8817 -2.8817 -2.5799 -2.5799 -1.9184 -1.9184 -1.4584 -1.4584 -1.3311 -1.3311 -0.9397 -0.9397 -0.8445 -0.8445 -0.6550 -0.6550 -0.1901 -0.1901 0.0929 0.0929 0.3059 0.3059 0.4240 0.4240 0.5652 0.5652 0.7532 0.7532 1.1672 1.1672 1.1827 1.1827 1.3091 1.3091 1.7588 1.7588 2.1115 2.1115 2.2591 2.2591 2.7915 2.7915 2.9660 2.9660 3.0566 3.0566 3.4910 3.4910 3.8522 3.8522 4.4231 4.4231 5.2412 5.2412 13.0547 13.0547 14.5205 14.5205 16.0547 16.0547 k = 0.5089 0.2677-0.4587 ( 3488 PWs) bands (ev): -19.1084 -19.1084 -18.6896 -18.6896 -18.6253 -18.6253 -18.5700 -18.5700 -18.5491 -18.5491 -18.4345 -18.4345 -3.2275 -3.2275 -2.8816 -2.8816 -2.5796 -2.5796 -1.9177 -1.9177 -1.4589 -1.4589 -1.3323 -1.3323 -0.9409 -0.9409 -0.8445 -0.8445 -0.6563 -0.6563 -0.1888 -0.1888 0.0929 0.0929 0.3055 0.3055 0.4240 0.4240 0.5668 0.5668 0.7532 0.7532 1.1661 1.1661 1.1832 1.1832 1.3041 1.3041 1.7630 1.7630 2.1131 2.1131 2.2597 2.2597 2.7915 2.7915 2.9658 2.9658 3.0564 3.0564 3.4911 3.4911 3.8520 3.8520 4.4236 4.4236 5.2399 5.2399 13.0554 13.0554 14.5218 14.5218 16.0300 16.0300 k = 0.5177 0.2723-0.4467 ( 3484 PWs) bands (ev): -19.1078 -19.1078 -18.6893 -18.6893 -18.6305 -18.6305 -18.5696 -18.5696 -18.5453 -18.5453 -18.4344 -18.4344 -3.2250 -3.2250 -2.8813 -2.8813 -2.5788 -2.5788 -1.9156 -1.9156 -1.4603 -1.4603 -1.3357 -1.3357 -0.9445 -0.9445 -0.8447 -0.8447 -0.6601 -0.6601 -0.1849 -0.1849 0.0928 0.0928 0.3045 0.3045 0.4238 0.4238 0.5716 0.5716 0.7532 0.7532 1.1629 1.1629 1.1847 1.1847 1.2900 1.2900 1.7749 1.7749 2.1180 2.1180 2.2614 2.2614 2.7916 2.7916 2.9650 2.9650 3.0558 3.0558 3.4917 3.4917 3.8516 3.8516 4.4252 4.4252 5.2358 5.2358 13.0573 13.0573 14.5258 14.5258 15.9591 15.9591 k = 0.5266 0.2770-0.4347 ( 3484 PWs) bands (ev): -19.1068 -19.1068 -18.6887 -18.6887 -18.6380 -18.6380 -18.5692 -18.5692 -18.5398 -18.5398 -18.4343 -18.4343 -3.2209 -3.2209 -2.8807 -2.8807 -2.5775 -2.5775 -1.9119 -1.9119 -1.4628 -1.4628 -1.3414 -1.3414 -0.9504 -0.9504 -0.8451 -0.8451 -0.6663 -0.6663 -0.1786 -0.1786 0.0927 0.0927 0.3028 0.3028 0.4238 0.4238 0.5793 0.5793 0.7532 0.7532 1.1578 1.1578 1.1869 1.1869 1.2684 1.2684 1.7932 1.7932 2.1259 2.1259 2.2643 2.2643 2.7916 2.7916 2.9637 2.9637 3.0548 3.0548 3.4927 3.4927 3.8509 3.8509 4.4278 4.4278 5.2289 5.2289 13.0605 13.0605 14.5323 14.5323 15.8643 15.8643 k = 0.5354 0.2816-0.4227 ( 3485 PWs) bands (ev): -19.1055 -19.1055 -18.6880 -18.6880 -18.6473 -18.6473 -18.5686 -18.5686 -18.5334 -18.5334 -18.4341 -18.4341 -3.2151 -3.2151 -2.8799 -2.8799 -2.5757 -2.5757 -1.9069 -1.9069 -1.4664 -1.4664 -1.3492 -1.3492 -0.9584 -0.9584 -0.8458 -0.8458 -0.6749 -0.6749 -0.1700 -0.1700 0.0925 0.0925 0.3004 0.3004 0.4240 0.4240 0.5895 0.5895 0.7533 0.7533 1.1503 1.1503 1.1896 1.1896 1.2420 1.2420 1.8161 1.8161 2.1367 2.1367 2.2683 2.2683 2.7917 2.7917 2.9619 2.9619 3.0534 3.0534 3.4941 3.4941 3.8499 3.8499 4.4314 4.4314 5.2193 5.2193 13.0649 13.0649 14.5415 14.5415 15.7610 15.7610 k = 0.5443 0.2863-0.4107 ( 3478 PWs) bands (ev): -19.1038 -19.1038 -18.6871 -18.6871 -18.6575 -18.6575 -18.5680 -18.5680 -18.5266 -18.5266 -18.4339 -18.4339 -3.2077 -3.2077 -2.8788 -2.8788 -2.5734 -2.5734 -1.9003 -1.9003 -1.4710 -1.4710 -1.3591 -1.3591 -0.9681 -0.9681 -0.8469 -0.8469 -0.6856 -0.6856 -0.1593 -0.1593 0.0922 0.0922 0.2975 0.2975 0.4247 0.4247 0.6017 0.6017 0.7535 0.7535 1.1393 1.1393 1.1919 1.1919 1.2145 1.2145 1.8422 1.8422 2.1500 2.1500 2.2736 2.2736 2.7917 2.7917 2.9596 2.9596 3.0516 3.0516 3.4961 3.4961 3.8486 3.8486 4.4361 4.4361 5.2071 5.2071 13.0703 13.0703 14.5531 14.5531 15.6546 15.6546 k = 0.5531 0.2909-0.3987 ( 3487 PWs) bands (ev): -19.1018 -19.1018 -18.6864 -18.6864 -18.6682 -18.6682 -18.5673 -18.5673 -18.5197 -18.5197 -18.4336 -18.4336 -3.1988 -3.1988 -2.8775 -2.8775 -2.5707 -2.5707 -1.8924 -1.8924 -1.4769 -1.4769 -1.3708 -1.3708 -0.9793 -0.9793 -0.8487 -0.8487 -0.6983 -0.6983 -0.1467 -0.1467 0.0919 0.0919 0.2939 0.2939 0.4259 0.4259 0.6153 0.6153 0.7537 0.7537 1.1225 1.1225 1.1836 1.1836 1.2005 1.2005 1.8700 1.8700 2.1654 2.1654 2.2800 2.2800 2.7917 2.7917 2.9567 2.9567 3.0494 3.0494 3.4985 3.4985 3.8471 3.8471 4.4418 4.4418 5.1922 5.1922 13.0765 13.0765 14.5673 14.5673 15.5475 15.5475 k = 0.5620 0.2956-0.3867 ( 3492 PWs) bands (ev): -19.0995 -19.0995 -18.6875 -18.6875 -18.6774 -18.6774 -18.5665 -18.5665 -18.5130 -18.5130 -18.4332 -18.4332 -3.1884 -3.1884 -2.8759 -2.8759 -2.5674 -2.5674 -1.8829 -1.8829 -1.4842 -1.4842 -1.3841 -1.3841 -0.9918 -0.9918 -0.8510 -0.8510 -0.7128 -0.7128 -0.1326 -0.1326 0.0915 0.0915 0.2898 0.2898 0.4277 0.4277 0.6299 0.6299 0.7540 0.7540 1.0974 1.0974 1.1654 1.1654 1.2032 1.2032 1.8989 1.8989 2.1826 2.1826 2.2877 2.2877 2.7916 2.7916 2.9534 2.9534 3.0469 3.0469 3.5016 3.5016 3.8452 3.8452 4.4485 4.4485 5.1747 5.1747 13.0833 13.0833 14.5840 14.5840 15.4407 15.4407 k = 0.5708 0.3003-0.3747 ( 3491 PWs) bands (ev): -19.0970 -19.0970 -18.6955 -18.6955 -18.6798 -18.6798 -18.5655 -18.5655 -18.5066 -18.5066 -18.4328 -18.4328 -3.1766 -3.1766 -2.8741 -2.8741 -2.5637 -2.5637 -1.8720 -1.8720 -1.4929 -1.4929 -1.3987 -1.3987 -1.0054 -1.0054 -0.8541 -0.8541 -0.7288 -0.7288 -0.1172 -0.1172 0.0910 0.0910 0.2852 0.2852 0.4302 0.4302 0.6447 0.6447 0.7546 0.7546 1.0659 1.0659 1.1519 1.1519 1.2075 1.2075 1.9281 1.9281 2.2010 2.2010 2.2967 2.2967 2.7915 2.7915 2.9495 2.9495 3.0440 3.0440 3.5054 3.5054 3.8432 3.8432 4.4562 4.4562 5.1547 5.1547 13.0905 13.0905 14.6031 14.6031 15.3351 15.3351 k = 0.5797 0.3049-0.3627 ( 3490 PWs) bands (ev): -19.0942 -19.0942 -18.7071 -18.7071 -18.6787 -18.6787 -18.5645 -18.5645 -18.5006 -18.5006 -18.4322 -18.4322 -3.1635 -3.1635 -2.8719 -2.8719 -2.5596 -2.5596 -1.8596 -1.8596 -1.5034 -1.5034 -1.4144 -1.4144 -1.0199 -1.0199 -0.8581 -0.8581 -0.7460 -0.7460 -0.1010 -0.1010 0.0904 0.0904 0.2802 0.2802 0.4332 0.4332 0.6588 0.6588 0.7554 0.7554 1.0321 1.0321 1.1417 1.1417 1.2123 1.2123 1.9571 1.9571 2.2203 2.2203 2.3070 2.3070 2.7912 2.7912 2.9450 2.9450 3.0408 3.0408 3.5100 3.5100 3.8408 3.8408 4.4649 4.4649 5.1323 5.1323 13.0977 13.0977 14.6245 14.6245 15.2312 15.2312 k = 0.5885 0.3096-0.3507 ( 3491 PWs) bands (ev): -19.0914 -19.0914 -18.7193 -18.7193 -18.6767 -18.6767 -18.5633 -18.5633 -18.4950 -18.4950 -18.4314 -18.4314 -3.1491 -3.1491 -2.8695 -2.8695 -2.5551 -2.5551 -1.8457 -1.8457 -1.5159 -1.5159 -1.4307 -1.4307 -1.0351 -1.0351 -0.8630 -0.8630 -0.7641 -0.7641 -0.0843 -0.0843 0.0895 0.0895 0.2747 0.2747 0.4369 0.4369 0.6712 0.6712 0.7566 0.7566 0.9995 0.9995 1.1334 1.1334 1.2173 1.2173 1.9856 1.9856 2.2398 2.2398 2.3188 2.3188 2.7909 2.7909 2.9401 2.9401 3.0374 3.0374 3.5156 3.5156 3.8382 3.8382 4.4746 4.4746 5.1076 5.1076 13.1044 13.1044 14.6482 14.6482 15.1298 15.1298 k = 0.5974 0.3142-0.3387 ( 3490 PWs) bands (ev): -19.0886 -19.0886 -18.7316 -18.7316 -18.6744 -18.6744 -18.5621 -18.5621 -18.4900 -18.4900 -18.4305 -18.4305 -3.1336 -3.1336 -2.8667 -2.8667 -2.5501 -2.5501 -1.8305 -1.8305 -1.5307 -1.5307 -1.4471 -1.4471 -1.0509 -1.0509 -0.8691 -0.8691 -0.7825 -0.7825 -0.0677 -0.0677 0.0886 0.0886 0.2687 0.2687 0.4411 0.4411 0.6804 0.6804 0.7583 0.7583 0.9708 0.9708 1.1264 1.1264 1.2223 1.2223 2.0133 2.0133 2.2593 2.2593 2.3320 2.3320 2.7904 2.7904 2.9347 2.9347 3.0336 3.0336 3.5222 3.5222 3.8354 3.8354 4.4852 4.4852 5.0805 5.0805 13.1101 13.1101 14.6741 14.6741 15.0314 15.0314 k = 0.6062 0.3189-0.3267 ( 3486 PWs) bands (ev): -19.0858 -19.0858 -18.7439 -18.7439 -18.6718 -18.6718 -18.5607 -18.5607 -18.4855 -18.4855 -18.4295 -18.4295 -3.1170 -3.1170 -2.8635 -2.8635 -2.5449 -2.5449 -1.8138 -1.8138 -1.5479 -1.5479 -1.4634 -1.4634 -1.0672 -1.0672 -0.8769 -0.8769 -0.8008 -0.8008 -0.0519 -0.0519 0.0878 0.0878 0.2622 0.2622 0.4458 0.4458 0.6849 0.6849 0.7606 0.7606 0.9484 0.9484 1.1204 1.1204 1.2273 1.2273 2.0399 2.0399 2.2784 2.2784 2.3466 2.3466 2.7897 2.7897 2.9287 2.9287 3.0296 3.0296 3.5300 3.5300 3.8323 3.8323 4.4968 4.4968 5.0514 5.0514 13.1142 13.1142 14.7021 14.7021 14.9370 14.9370 k = 0.6151 0.3235-0.3147 ( 3486 PWs) bands (ev): -19.0832 -19.0832 -18.7559 -18.7559 -18.6690 -18.6690 -18.5593 -18.5593 -18.4816 -18.4816 -18.4282 -18.4282 -3.0997 -3.0997 -2.8598 -2.8598 -2.5393 -2.5393 -1.7958 -1.7958 -1.5677 -1.5677 -1.4792 -1.4792 -1.0838 -1.0838 -0.8868 -0.8868 -0.8180 -0.8180 -0.0383 -0.0383 0.0876 0.0876 0.2551 0.2551 0.4510 0.4510 0.6837 0.6837 0.7631 0.7631 0.9343 0.9343 1.1155 1.1155 1.2321 1.2321 2.0654 2.0654 2.2968 2.2968 2.3623 2.3623 2.7888 2.7888 2.9223 2.9223 3.0254 3.0254 3.5392 3.5392 3.8291 3.8291 4.5093 4.5093 5.0201 5.0201 13.1159 13.1159 14.7318 14.7318 14.8473 14.8473 k = 0.6239 0.3282-0.3027 ( 3484 PWs) bands (ev): -19.0809 -19.0809 -18.7674 -18.7674 -18.6660 -18.6660 -18.5577 -18.5577 -18.4782 -18.4782 -18.4268 -18.4268 -3.0817 -3.0817 -2.8555 -2.8555 -2.5335 -2.5335 -1.7766 -1.7766 -1.5897 -1.5897 -1.4945 -1.4945 -1.1007 -1.1007 -0.8995 -0.8995 -0.8332 -0.8332 -0.0286 -0.0286 0.0892 0.0892 0.2477 0.2477 0.4568 0.4568 0.6772 0.6772 0.7657 0.7657 0.9294 0.9294 1.1116 1.1116 1.2367 1.2367 2.0896 2.0896 2.3145 2.3145 2.3788 2.3788 2.7878 2.7878 2.9154 2.9154 3.0210 3.0210 3.5498 3.5498 3.8256 3.8256 4.5227 4.5227 4.9869 4.9869 13.1144 13.1144 14.7543 14.7543 14.7724 14.7724 k = 0.6328 0.3329-0.2907 ( 3484 PWs) bands (ev): -19.0791 -19.0791 -18.7782 -18.7782 -18.6627 -18.6627 -18.5560 -18.5560 -18.4754 -18.4754 -18.4253 -18.4253 -3.0634 -3.0634 -2.8506 -2.8506 -2.5274 -2.5274 -1.7564 -1.7564 -1.6138 -1.6138 -1.5094 -1.5094 -1.1178 -1.1178 -0.9154 -0.9154 -0.8460 -0.8460 -0.0251 -0.0251 0.0940 0.0940 0.2399 0.2399 0.4632 0.4632 0.6669 0.6669 0.7681 0.7681 0.9327 0.9327 1.1087 1.1087 1.2410 1.2410 2.1124 2.1124 2.3316 2.3316 2.3957 2.3957 2.7865 2.7865 2.9080 2.9080 3.0164 3.0164 3.5620 3.5620 3.8220 3.8220 4.5369 4.5369 4.9519 4.9519 13.1086 13.1086 14.6834 14.6834 14.7993 14.7993 k = 0.6328 0.3329-0.2907 ( 3484 PWs) bands (ev): -19.0791 -19.0791 -18.7782 -18.7782 -18.6627 -18.6627 -18.5560 -18.5560 -18.4754 -18.4754 -18.4253 -18.4253 -3.0634 -3.0634 -2.8506 -2.8506 -2.5274 -2.5274 -1.7564 -1.7564 -1.6138 -1.6138 -1.5094 -1.5094 -1.1178 -1.1178 -0.9154 -0.9154 -0.8460 -0.8460 -0.0251 -0.0251 0.0940 0.0940 0.2399 0.2399 0.4632 0.4632 0.6669 0.6669 0.7681 0.7681 0.9327 0.9327 1.1087 1.1087 1.2410 1.2410 2.1124 2.1124 2.3316 2.3316 2.3957 2.3957 2.7865 2.7865 2.9080 2.9080 3.0164 3.0164 3.5620 3.5620 3.8220 3.8220 4.5369 4.5369 4.9519 4.9519 13.1086 13.1086 14.6834 14.6834 14.7993 14.7993 k = 0.6285 0.3306-0.2755 ( 3484 PWs) bands (ev): -19.0787 -19.0787 -18.7855 -18.7855 -18.6606 -18.6606 -18.5546 -18.5546 -18.4730 -18.4730 -18.4245 -18.4245 -3.0525 -3.0525 -2.8456 -2.8456 -2.5252 -2.5252 -1.7403 -1.7403 -1.6221 -1.6221 -1.5208 -1.5208 -1.1260 -1.1260 -0.9286 -0.9286 -0.8467 -0.8467 -0.0090 -0.0090 0.1152 0.1152 0.2281 0.2281 0.4406 0.4406 0.6514 0.6514 0.7594 0.7594 0.9380 0.9380 1.1072 1.1072 1.2408 1.2408 2.1286 2.1286 2.3405 2.3405 2.4031 2.4031 2.7849 2.7849 2.9050 2.9050 3.0164 3.0164 3.5724 3.5724 3.8172 3.8172 4.5436 4.5436 4.9317 4.9317 13.0992 13.0992 14.6191 14.6191 14.8373 14.8373 k = 0.6242 0.3284-0.2603 ( 3484 PWs) bands (ev): -19.0793 -19.0793 -18.7928 -18.7928 -18.6573 -18.6573 -18.5530 -18.5530 -18.4706 -18.4706 -18.4237 -18.4237 -3.0411 -3.0411 -2.8392 -2.8392 -2.5228 -2.5228 -1.7238 -1.7238 -1.6311 -1.6311 -1.5331 -1.5331 -1.1368 -1.1368 -0.9439 -0.9439 -0.8446 -0.8446 0.0055 0.0055 0.1271 0.1271 0.2214 0.2214 0.4221 0.4221 0.6317 0.6317 0.7544 0.7544 0.9459 0.9459 1.1060 1.1060 1.2408 1.2408 2.1450 2.1450 2.3496 2.3496 2.4117 2.4117 2.7832 2.7832 2.9015 2.9015 3.0158 3.0158 3.5836 3.5836 3.8130 3.8130 4.5492 4.5492 4.9110 4.9110 13.0820 13.0820 14.5424 14.5424 14.8972 14.8972 k = 0.6199 0.3261-0.2451 ( 3484 PWs) bands (ev): -19.0808 -19.0808 -18.8002 -18.8002 -18.6529 -18.6529 -18.5512 -18.5512 -18.4682 -18.4682 -18.4231 -18.4231 -3.0291 -3.0291 -2.8313 -2.8313 -2.5204 -2.5204 -1.7073 -1.7073 -1.6406 -1.6406 -1.5456 -1.5456 -1.1500 -1.1500 -0.9597 -0.9597 -0.8418 -0.8418 0.0182 0.0182 0.1268 0.1268 0.2198 0.2198 0.4110 0.4110 0.6092 0.6092 0.7526 0.7526 0.9558 0.9558 1.1054 1.1054 1.2410 1.2410 2.1614 2.1614 2.3590 2.3590 2.4212 2.4212 2.7815 2.7815 2.8975 2.8975 3.0146 3.0146 3.5954 3.5954 3.8097 3.8097 4.5537 4.5537 4.8900 4.8900 13.0581 13.0581 14.4637 14.4637 14.9675 14.9675 k = 0.6157 0.3238-0.2299 ( 3484 PWs) bands (ev): -19.0833 -19.0833 -18.8076 -18.8076 -18.6476 -18.6476 -18.5492 -18.5492 -18.4660 -18.4660 -18.4225 -18.4225 -3.0164 -3.0164 -2.8221 -2.8221 -2.5179 -2.5179 -1.6914 -1.6914 -1.6507 -1.6507 -1.5578 -1.5578 -1.1650 -1.1650 -0.9752 -0.9752 -0.8393 -0.8393 0.0285 0.0285 0.1167 0.1167 0.2174 0.2174 0.4105 0.4105 0.5851 0.5851 0.7534 0.7534 0.9673 0.9673 1.1052 1.1052 1.2416 1.2416 2.1780 2.1780 2.3688 2.3688 2.4313 2.4313 2.7798 2.7798 2.8931 2.8931 3.0126 3.0126 3.6079 3.6079 3.8070 3.8070 4.5570 4.5570 4.8687 4.8687 13.0288 13.0288 14.3852 14.3852 15.0451 15.0451 k = 0.6114 0.3216-0.2147 ( 3486 PWs) bands (ev): -19.0864 -19.0864 -18.8150 -18.8150 -18.6415 -18.6415 -18.5471 -18.5471 -18.4638 -18.4638 -18.4221 -18.4221 -3.0029 -3.0029 -2.8115 -2.8115 -2.5153 -2.5153 -1.6782 -1.6782 -1.6605 -1.6605 -1.5683 -1.5683 -1.1816 -1.1816 -0.9900 -0.9900 -0.8380 -0.8380 0.0356 0.0356 0.1019 0.1019 0.2085 0.2085 0.4219 0.4219 0.5605 0.5605 0.7564 0.7564 0.9799 0.9799 1.1056 1.1056 1.2425 1.2425 2.1948 2.1948 2.3790 2.3790 2.4419 2.4419 2.7781 2.7781 2.8883 2.8883 3.0099 3.0099 3.6209 3.6209 3.8052 3.8052 4.5591 4.5591 4.8471 4.8471 12.9951 12.9951 14.3075 14.3075 15.1284 15.1284 k = 0.6071 0.3193-0.1996 ( 3481 PWs) bands (ev): -19.0902 -19.0902 -18.8223 -18.8223 -18.6347 -18.6347 -18.5448 -18.5448 -18.4616 -18.4616 -18.4217 -18.4217 -2.9887 -2.9887 -2.7997 -2.7997 -2.5126 -2.5126 -1.6765 -1.6765 -1.6636 -1.6636 -1.5746 -1.5746 -1.1995 -1.1995 -1.0039 -1.0039 -0.8380 -0.8380 0.0382 0.0382 0.0861 0.0861 0.1927 0.1927 0.4422 0.4422 0.5367 0.5367 0.7612 0.7612 0.9935 0.9935 1.1066 1.1066 1.2438 1.2438 2.2117 2.2117 2.3895 2.3895 2.4530 2.4530 2.7765 2.7765 2.8832 2.8832 3.0066 3.0066 3.6346 3.6346 3.8042 3.8042 4.5602 4.5602 4.8252 4.8252 12.9580 12.9580 14.2309 14.2309 15.2162 15.2162 k = 0.6028 0.3171-0.1844 ( 3482 PWs) bands (ev): -19.0945 -19.0945 -18.8296 -18.8296 -18.6274 -18.6274 -18.5424 -18.5424 -18.4596 -18.4596 -18.4215 -18.4215 -2.9737 -2.9737 -2.7867 -2.7867 -2.5099 -2.5099 -1.6869 -1.6869 -1.6625 -1.6625 -1.5736 -1.5736 -1.2186 -1.2186 -1.0168 -1.0168 -0.8395 -0.8395 0.0338 0.0338 0.0722 0.0722 0.1726 0.1726 0.4660 0.4660 0.5165 0.5165 0.7676 0.7676 1.0077 1.0077 1.1083 1.1083 1.2456 1.2456 2.2288 2.2288 2.4001 2.4001 2.4643 2.4643 2.7749 2.7749 2.8777 2.8777 3.0025 3.0025 3.6488 3.6488 3.8040 3.8040 4.5601 4.5601 4.8032 4.8032 12.9183 12.9183 14.1557 14.1557 15.3076 15.3076 k = 0.5985 0.3148-0.1692 ( 3482 PWs) bands (ev): -19.0992 -19.0992 -18.8369 -18.8369 -18.6196 -18.6196 -18.5398 -18.5398 -18.4576 -18.4576 -18.4214 -18.4214 -2.9577 -2.9577 -2.7726 -2.7726 -2.5070 -2.5070 -1.6990 -1.6990 -1.6683 -1.6683 -1.5645 -1.5645 -1.2387 -1.2387 -1.0287 -1.0287 -0.8425 -0.8425 0.0212 0.0212 0.0616 0.0616 0.1506 0.1506 0.4755 0.4755 0.5150 0.5150 0.7756 0.7756 1.0226 1.0226 1.1106 1.1106 1.2479 1.2479 2.2459 2.2459 2.4109 2.4109 2.4757 2.4757 2.7734 2.7734 2.8720 2.8720 2.9977 2.9977 3.6634 3.6634 3.8046 3.8046 4.5590 4.5590 4.7811 4.7811 12.8767 12.8767 14.0821 14.0821 15.4019 15.4019 k = 0.5942 0.3126-0.1540 ( 3485 PWs) bands (ev): -19.1042 -19.1042 -18.8440 -18.8440 -18.6114 -18.6114 -18.5371 -18.5371 -18.4557 -18.4557 -18.4214 -18.4214 -2.9409 -2.9409 -2.7575 -2.7575 -2.5041 -2.5041 -1.7118 -1.7118 -1.6796 -1.6796 -1.5501 -1.5501 -1.2596 -1.2596 -1.0394 -1.0394 -0.8470 -0.8470 0.0033 0.0033 0.0508 0.0508 0.1286 0.1286 0.4614 0.4614 0.5400 0.5400 0.7853 0.7853 1.0379 1.0379 1.1136 1.1136 1.2508 1.2508 2.2633 2.2633 2.4216 2.4216 2.4872 2.4872 2.7720 2.7720 2.8660 2.8660 2.9922 2.9922 3.6785 3.6785 3.8061 3.8061 4.5568 4.5568 4.7588 4.7588 12.8338 12.8338 14.0103 14.0103 15.4983 15.4983 k = 0.5900 0.3103-0.1388 ( 3485 PWs) bands (ev): -19.1094 -19.1094 -18.8510 -18.8510 -18.6030 -18.6030 -18.5343 -18.5343 -18.4539 -18.4539 -18.4216 -18.4216 -2.9231 -2.9231 -2.7414 -2.7414 -2.5011 -2.5011 -1.7251 -1.7251 -1.6940 -1.6940 -1.5333 -1.5333 -1.2807 -1.2807 -1.0489 -1.0489 -0.8529 -0.8529 -0.0169 -0.0169 0.0368 0.0368 0.1078 0.1078 0.4444 0.4444 0.5698 0.5698 0.7969 0.7969 1.0536 1.0536 1.1172 1.1172 1.2543 1.2543 2.2807 2.2807 2.4321 2.4321 2.4987 2.4987 2.7706 2.7706 2.8597 2.8597 2.9862 2.9862 3.6940 3.6940 3.8085 3.8085 4.5536 4.5536 4.7366 4.7366 12.7902 12.7902 13.9404 13.9404 15.5963 15.5963 k = 0.5857 0.3081-0.1236 ( 3491 PWs) bands (ev): -19.1148 -19.1148 -18.8578 -18.8578 -18.5944 -18.5944 -18.5314 -18.5314 -18.4523 -18.4523 -18.4219 -18.4219 -2.9043 -2.9043 -2.7244 -2.7244 -2.4980 -2.4980 -1.7388 -1.7388 -1.7098 -1.7098 -1.5166 -1.5166 -1.3012 -1.3012 -1.0573 -1.0573 -0.8599 -0.8599 -0.0381 -0.0381 0.0186 0.0186 0.0882 0.0882 0.4288 0.4288 0.5989 0.5989 0.8106 0.8106 1.0697 1.0697 1.1215 1.1215 1.2582 1.2582 2.2981 2.2981 2.4423 2.4423 2.5101 2.5101 2.7693 2.7693 2.8533 2.8533 2.9795 2.9795 3.7098 3.7098 3.8119 3.8119 4.5495 4.5495 4.7143 4.7143 12.7463 12.7463 13.8726 13.8726 15.6956 15.6956 k = 0.5814 0.3058-0.1084 ( 3493 PWs) bands (ev): -19.1203 -19.1203 -18.8644 -18.8644 -18.5858 -18.5858 -18.5283 -18.5283 -18.4507 -18.4507 -18.4224 -18.4224 -2.8845 -2.8845 -2.7067 -2.7067 -2.4949 -2.4949 -1.7529 -1.7529 -1.7264 -1.7264 -1.5024 -1.5024 -1.3195 -1.3195 -1.0645 -1.0645 -0.8679 -0.8679 -0.0597 -0.0597 -0.0029 -0.0029 0.0691 0.0691 0.4154 0.4154 0.6258 0.6258 0.8269 0.8269 1.0860 1.0860 1.1267 1.1267 1.2627 1.2627 2.3155 2.3155 2.4521 2.4521 2.5215 2.5215 2.7681 2.7681 2.8468 2.8468 2.9723 2.9723 3.7260 3.7260 3.8162 3.8162 4.5444 4.5444 4.6920 4.6920 12.7025 12.7025 13.8069 13.8069 15.7955 15.7955 k = 0.5771 0.3036-0.0933 ( 3487 PWs) bands (ev): -19.1258 -19.1258 -18.8708 -18.8708 -18.5771 -18.5771 -18.5252 -18.5252 -18.4493 -18.4493 -18.4230 -18.4230 -2.8636 -2.8636 -2.6882 -2.6882 -2.4917 -2.4917 -1.7673 -1.7673 -1.7433 -1.7433 -1.4938 -1.4938 -1.3326 -1.3326 -1.0706 -1.0706 -0.8766 -0.8766 -0.0815 -0.0815 -0.0262 -0.0262 0.0495 0.0495 0.4042 0.4042 0.6494 0.6494 0.8461 0.8461 1.1021 1.1021 1.1327 1.1327 1.2676 1.2676 2.3328 2.3328 2.4613 2.4613 2.5326 2.5326 2.7669 2.7669 2.8401 2.8401 2.9646 2.9646 3.7424 3.7424 3.8215 3.8215 4.5385 4.5385 4.6699 4.6699 12.6591 12.6591 13.7436 13.7436 15.8958 15.8958 k = 0.5728 0.3013-0.0781 ( 3491 PWs) bands (ev): -19.1313 -19.1313 -18.8770 -18.8770 -18.5685 -18.5685 -18.5219 -18.5219 -18.4480 -18.4480 -18.4238 -18.4238 -2.8417 -2.8417 -2.6691 -2.6691 -2.4886 -2.4886 -1.7821 -1.7821 -1.7602 -1.7602 -1.4948 -1.4948 -1.3371 -1.3371 -1.0755 -1.0755 -0.8860 -0.8860 -0.1034 -0.1034 -0.0503 -0.0503 0.0288 0.0288 0.3951 0.3951 0.6690 0.6690 0.8682 0.8682 1.1174 1.1174 1.1404 1.1404 1.2728 1.2728 2.3499 2.3499 2.4700 2.4700 2.5434 2.5434 2.7658 2.7658 2.8333 2.8333 2.9566 2.9566 3.7589 3.7589 3.8278 3.8278 4.5317 4.5317 4.6480 4.6480 12.6165 12.6165 13.6827 13.6827 15.9961 15.9961 k = 0.5685 0.2991-0.0629 ( 3493 PWs) bands (ev): -19.1367 -19.1367 -18.8829 -18.8829 -18.5601 -18.5601 -18.5186 -18.5186 -18.4469 -18.4469 -18.4247 -18.4247 -2.8188 -2.8188 -2.6496 -2.6496 -2.4854 -2.4854 -1.7971 -1.7971 -1.7768 -1.7768 -1.5070 -1.5070 -1.3313 -1.3313 -1.0794 -1.0794 -0.8957 -0.8957 -0.1254 -0.1254 -0.0741 -0.0741 0.0068 0.0068 0.3878 0.3878 0.6848 0.6848 0.8930 0.8930 1.1305 1.1305 1.1509 1.1509 1.2783 1.2783 2.3667 2.3667 2.4780 2.4780 2.5538 2.5538 2.7648 2.7648 2.8264 2.8264 2.9483 2.9483 3.7756 3.7756 3.8350 3.8350 4.5241 4.5241 4.6262 4.6262 12.5750 12.5750 13.6245 13.6245 16.0959 16.0959 k = 0.5643 0.2968-0.0477 ( 3491 PWs) bands (ev): -19.1419 -19.1419 -18.8886 -18.8886 -18.5518 -18.5518 -18.5152 -18.5152 -18.4459 -18.4459 -18.4258 -18.4258 -2.7949 -2.7949 -2.6296 -2.6296 -2.4821 -2.4821 -1.8125 -1.8125 -1.7931 -1.7931 -1.5284 -1.5284 -1.3173 -1.3173 -1.0821 -1.0821 -0.9057 -0.9057 -0.1476 -0.1476 -0.0972 -0.0972 -0.0162 -0.0162 0.3821 0.3821 0.6970 0.6970 0.9198 0.9198 1.1404 1.1404 1.1648 1.1648 1.2840 1.2840 2.3832 2.3832 2.4853 2.4853 2.5639 2.5639 2.7637 2.7637 2.8196 2.8196 2.9399 2.9399 3.7924 3.7924 3.8432 3.8432 4.5159 4.5159 4.6048 4.6048 12.5348 12.5348 13.5690 13.5690 16.1950 16.1950 k = 0.5600 0.2946-0.0325 ( 3489 PWs) bands (ev): -19.1469 -19.1469 -18.8939 -18.8939 -18.5437 -18.5437 -18.5118 -18.5118 -18.4451 -18.4451 -18.4270 -18.4270 -2.7699 -2.7699 -2.6093 -2.6093 -2.4790 -2.4790 -1.8283 -1.8283 -1.8087 -1.8087 -1.5558 -1.5558 -1.2983 -1.2983 -1.0839 -1.0839 -0.9158 -0.9158 -0.1700 -0.1700 -0.1190 -0.1190 -0.0400 -0.0400 0.3775 0.3775 0.7061 0.7061 0.9480 0.9480 1.1484 1.1484 1.1809 1.1809 1.2897 1.2897 2.3993 2.3993 2.4920 2.4920 2.5734 2.5734 2.7625 2.7625 2.8127 2.8127 2.9314 2.9314 3.8093 3.8093 3.8523 3.8523 4.5069 4.5069 4.5836 4.5836 12.4962 12.4962 13.5164 13.5164 16.2930 16.2930 k = 0.5557 0.2923-0.0173 ( 3487 PWs) bands (ev): -19.1517 -19.1517 -18.8990 -18.8990 -18.5358 -18.5358 -18.5083 -18.5083 -18.4444 -18.4444 -18.4284 -18.4284 -2.7440 -2.7440 -2.5888 -2.5888 -2.4758 -2.4758 -1.8444 -1.8444 -1.8236 -1.8236 -1.5871 -1.5871 -1.2765 -1.2765 -1.0847 -1.0847 -0.9257 -0.9257 -0.1926 -0.1926 -0.1394 -0.1394 -0.0642 -0.0642 0.3739 0.3739 0.7127 0.7127 0.9768 0.9768 1.1556 1.1556 1.1976 1.1976 1.2954 1.2954 2.4148 2.4148 2.4981 2.4981 2.5823 2.5823 2.7613 2.7613 2.8057 2.8057 2.9230 2.9230 3.8260 3.8260 3.8622 3.8622 4.4974 4.4974 4.5629 4.5629 12.4592 12.4592 13.4668 13.4668 16.3896 16.3896 k = 0.5514 0.2900-0.0021 ( 3488 PWs) bands (ev): -19.1563 -19.1563 -18.9037 -18.9037 -18.5282 -18.5282 -18.5048 -18.5048 -18.4440 -18.4440 -18.4299 -18.4299 -2.7174 -2.7174 -2.5683 -2.5683 -2.4727 -2.4727 -1.8608 -1.8608 -1.8376 -1.8376 -1.6207 -1.6207 -1.2534 -1.2534 -1.0845 -1.0845 -0.9354 -0.9354 -0.2154 -0.2154 -0.1582 -0.1582 -0.0882 -0.0882 0.3709 0.3709 0.7174 0.7174 1.0055 1.0055 1.1624 1.1624 1.2145 1.2145 1.3010 1.3010 2.4295 2.4295 2.5037 2.5037 2.5907 2.5907 2.7598 2.7598 2.7989 2.7989 2.9149 2.9149 3.8427 3.8427 3.8729 3.8729 4.4874 4.4874 4.5427 4.5427 12.4243 12.4243 13.4204 13.4204 16.4843 16.4843 k = 0.5471 0.2878 0.0130 ( 3486 PWs) bands (ev): -19.1606 -19.1606 -18.9081 -18.9081 -18.5210 -18.5210 -18.5013 -18.5013 -18.4438 -18.4438 -18.4316 -18.4316 -2.6900 -2.6900 -2.5479 -2.5479 -2.4697 -2.4697 -1.8774 -1.8774 -1.8508 -1.8508 -1.6557 -1.6557 -1.2299 -1.2299 -1.0833 -1.0833 -0.9447 -0.9447 -0.2382 -0.2382 -0.1754 -0.1754 -0.1118 -0.1118 0.3686 0.3686 0.7206 0.7206 1.0335 1.0335 1.1690 1.1690 1.2309 1.2309 1.3064 1.3064 2.4433 2.4433 2.5090 2.5090 2.5986 2.5986 2.7579 2.7579 2.7921 2.7921 2.9072 2.9072 3.8591 3.8591 3.8840 3.8840 4.4771 4.4771 4.5230 4.5230 12.3914 12.3914 13.3771 13.3771 16.5767 16.5767 k = 0.5428 0.2855 0.0282 ( 3484 PWs) bands (ev): -19.1646 -19.1646 -18.9122 -18.9122 -18.5140 -18.5140 -18.4978 -18.4978 -18.4438 -18.4438 -18.4334 -18.4334 -2.6620 -2.6620 -2.5277 -2.5277 -2.4668 -2.4668 -1.8942 -1.8942 -1.8630 -1.8630 -1.6913 -1.6913 -1.2069 -1.2069 -1.0810 -1.0810 -0.9534 -0.9534 -0.2607 -0.2607 -0.1912 -0.1912 -0.1344 -0.1344 0.3667 0.3667 0.7226 0.7226 1.0605 1.0605 1.1753 1.1753 1.2467 1.2467 1.3116 1.3116 2.4559 2.4559 2.5140 2.5140 2.6059 2.6059 2.7557 2.7557 2.7855 2.7855 2.9000 2.9000 3.8752 3.8752 3.8956 3.8956 4.4665 4.4665 4.5041 4.5041 12.3609 12.3609 13.3372 13.3372 16.6665 16.6665 k = 0.5386 0.2833 0.0434 ( 3486 PWs) bands (ev): -19.1683 -19.1683 -18.9159 -18.9159 -18.5075 -18.5075 -18.4942 -18.4942 -18.4440 -18.4440 -18.4353 -18.4353 -2.6337 -2.6337 -2.5081 -2.5081 -2.4640 -2.4640 -1.9112 -1.9112 -1.8743 -1.8743 -1.7269 -1.7269 -1.1850 -1.1850 -1.0776 -1.0776 -0.9615 -0.9615 -0.2829 -0.2829 -0.2055 -0.2055 -0.1558 -0.1558 0.3650 0.3650 0.7237 0.7237 1.0860 1.0860 1.1812 1.1812 1.2617 1.2617 1.3165 1.3165 2.4671 2.4671 2.5192 2.5192 2.6127 2.6127 2.7528 2.7528 2.7792 2.7792 2.8934 2.8934 3.8909 3.8909 3.9074 3.9074 4.4558 4.4558 4.4860 4.4860 12.3328 12.3328 13.3008 13.3008 16.7530 16.7530 k = 0.5343 0.2810 0.0586 ( 3490 PWs) bands (ev): -19.1717 -19.1717 -18.9192 -18.9192 -18.5013 -18.5013 -18.4907 -18.4907 -18.4444 -18.4444 -18.4374 -18.4374 -2.6054 -2.6054 -2.4891 -2.4891 -2.4614 -2.4614 -1.9281 -1.9281 -1.8846 -1.8846 -1.7619 -1.7619 -1.1651 -1.1651 -1.0727 -1.0727 -0.9688 -0.9688 -0.3045 -0.3045 -0.2184 -0.2184 -0.1754 -0.1754 0.3637 0.3637 0.7242 0.7242 1.1096 1.1096 1.1869 1.1869 1.2755 1.2755 1.3211 1.3211 2.4766 2.4766 2.5246 2.5246 2.6190 2.6190 2.7491 2.7491 2.7735 2.7735 2.8875 2.8875 3.9060 3.9060 3.9190 3.9190 4.4452 4.4452 4.4688 4.4688 12.3073 12.3073 13.2679 13.2679 16.8358 16.8358 k = 0.5300 0.2788 0.0738 ( 3498 PWs) bands (ev): -19.1747 -19.1747 -18.9222 -18.9222 -18.4956 -18.4956 -18.4872 -18.4872 -18.4451 -18.4451 -18.4395 -18.4395 -2.5773 -2.5773 -2.4713 -2.4713 -2.4586 -2.4586 -1.9451 -1.9451 -1.8938 -1.8938 -1.7955 -1.7955 -1.1480 -1.1480 -1.0663 -1.0663 -0.9750 -0.9750 -0.3252 -0.3252 -0.2302 -0.2302 -0.1929 -0.1929 0.3626 0.3626 0.7243 0.7243 1.1311 1.1311 1.1921 1.1921 1.2880 1.2880 1.3254 1.3254 2.4841 2.4841 2.5304 2.5304 2.6250 2.6250 2.7445 2.7445 2.7686 2.7686 2.8823 2.8823 3.9203 3.9203 3.9304 3.9304 4.4349 4.4349 4.4528 4.4528 12.2844 12.2844 13.2387 13.2387 16.9142 16.9142 k = 0.5257 0.2765 0.0890 ( 3496 PWs) bands (ev): -19.1773 -19.1773 -18.9248 -18.9248 -18.4903 -18.4903 -18.4838 -18.4838 -18.4460 -18.4460 -18.4418 -18.4418 -2.5500 -2.5500 -2.4589 -2.4589 -2.4519 -2.4519 -1.9619 -1.9619 -1.9019 -1.9019 -1.8270 -1.8270 -1.1343 -1.1343 -1.0582 -1.0582 -0.9801 -0.9801 -0.3446 -0.3446 -0.2407 -0.2407 -0.2081 -0.2081 0.3616 0.3616 0.7241 0.7241 1.1501 1.1501 1.1970 1.1970 1.2989 1.2989 1.3293 1.3293 2.4898 2.4898 2.5367 2.5367 2.6307 2.6307 2.7389 2.7389 2.7647 2.7647 2.8780 2.8780 3.9336 3.9336 3.9412 3.9412 4.4251 4.4251 4.4382 4.4382 12.2644 12.2644 13.2132 13.2132 16.9874 16.9874 k = 0.5214 0.2743 0.1042 ( 3494 PWs) bands (ev): -19.1795 -19.1795 -18.9270 -18.9270 -18.4855 -18.4855 -18.4803 -18.4803 -18.4471 -18.4471 -18.4440 -18.4440 -2.5241 -2.5241 -2.4559 -2.4559 -2.4374 -2.4374 -1.9784 -1.9784 -1.9089 -1.9089 -1.8553 -1.8553 -1.1241 -1.1241 -1.0493 -1.0493 -0.9836 -0.9836 -0.3623 -0.3623 -0.2501 -0.2501 -0.2208 -0.2208 0.3608 0.3608 0.7237 0.7237 1.1663 1.1663 1.2016 1.2016 1.3080 1.3080 1.3330 1.3330 2.4938 2.4938 2.5429 2.5429 2.6361 2.6361 2.7326 2.7326 2.7616 2.7616 2.8744 2.8744 3.9457 3.9457 3.9510 3.9510 4.4161 4.4161 4.4251 4.4251 12.2474 12.2474 13.1915 13.1915 17.0544 17.0544 k = 0.5171 0.2720 0.1193 ( 3498 PWs) bands (ev): -19.1814 -19.1814 -18.9288 -18.9288 -18.4814 -18.4814 -18.4770 -18.4770 -18.4484 -18.4484 -18.4463 -18.4463 -2.5006 -2.5006 -2.4541 -2.4541 -2.4238 -2.4238 -1.9943 -1.9943 -1.9147 -1.9147 -1.8795 -1.8795 -1.1169 -1.1169 -1.0409 -1.0409 -0.9854 -0.9854 -0.3779 -0.3779 -0.2583 -0.2583 -0.2308 -0.2308 0.3602 0.3602 0.7232 0.7232 1.1795 1.1795 1.2058 1.2058 1.3153 1.3153 1.3365 1.3365 2.4966 2.4966 2.5488 2.5488 2.6413 2.6413 2.7261 2.7261 2.7592 2.7592 2.8716 2.8716 3.9561 3.9561 3.9597 3.9597 4.4081 4.4081 4.4139 4.4139 12.2333 12.2333 13.1736 13.1736 17.1139 17.1139 k = 0.5129 0.2698 0.1345 ( 3503 PWs) bands (ev): -19.1828 -19.1828 -18.9302 -18.9302 -18.4779 -18.4779 -18.4738 -18.4738 -18.4499 -18.4499 -18.4483 -18.4483 -2.4806 -2.4806 -2.4526 -2.4526 -2.4122 -2.4122 -2.0089 -2.0089 -1.9195 -1.9195 -1.8988 -1.8988 -1.1121 -1.1121 -1.0343 -1.0343 -0.9854 -0.9854 -0.3908 -0.3908 -0.2650 -0.2650 -0.2384 -0.2384 0.3597 0.3597 0.7228 0.7228 1.1892 1.1892 1.2099 1.2099 1.3206 1.3206 1.3396 1.3396 2.4984 2.4984 2.5537 2.5537 2.6460 2.6460 2.7199 2.7199 2.7574 2.7574 2.8694 2.8694 3.9647 3.9647 3.9668 3.9668 4.4016 4.4016 4.4048 4.4048 12.2222 12.2222 13.1597 13.1597 17.1641 17.1641 k = 0.5086 0.2675 0.1497 ( 3512 PWs) bands (ev): -19.1838 -19.1838 -18.9313 -18.9313 -18.4753 -18.4753 -18.4710 -18.4710 -18.4515 -18.4515 -18.4500 -18.4500 -2.4655 -2.4655 -2.4513 -2.4513 -2.4033 -2.4033 -2.0210 -2.0210 -1.9234 -1.9234 -1.9124 -1.9124 -1.1090 -1.1090 -1.0301 -1.0301 -0.9840 -0.9840 -0.4005 -0.4005 -0.2700 -0.2700 -0.2436 -0.2436 0.3593 0.3593 0.7224 0.7224 1.1954 1.1954 1.2136 1.2136 1.3240 1.3240 1.3422 1.3422 2.4995 2.4995 2.5575 2.5575 2.6500 2.6500 2.7146 2.7146 2.7562 2.7562 2.8678 2.8678 3.9711 3.9711 3.9721 3.9721 4.3966 4.3966 4.3981 4.3981 12.2143 12.2143 13.1497 13.1497 17.2027 17.2027 k = 0.5043 0.2653 0.1649 ( 3514 PWs) bands (ev): -19.1845 -19.1845 -18.9319 -18.9319 -18.4736 -18.4736 -18.4689 -18.4689 -18.4529 -18.4529 -18.4511 -18.4511 -2.4570 -2.4570 -2.4494 -2.4494 -2.3975 -2.3975 -2.0291 -2.0291 -1.9267 -1.9267 -1.9195 -1.9195 -1.1073 -1.1073 -1.0279 -1.0279 -0.9824 -0.9824 -0.4065 -0.4065 -0.2731 -0.2731 -0.2466 -0.2466 0.3591 0.3591 0.7222 0.7222 1.1988 1.1988 1.2162 1.2162 1.3260 1.3260 1.3439 1.3439 2.5001 2.5001 2.5599 2.5599 2.6528 2.6528 2.7110 2.7110 2.7554 2.7554 2.8669 2.8669 3.9750 3.9750 3.9754 3.9754 4.3935 4.3935 4.3940 4.3940 12.2095 12.2095 13.1437 13.1437 17.2273 17.2273 k = 0.5000 0.2630 0.1801 ( 3510 PWs) bands (ev): -19.1847 -19.1847 -18.9321 -18.9321 -18.4730 -18.4730 -18.4682 -18.4682 -18.4534 -18.4534 -18.4515 -18.4515 -2.4548 -2.4548 -2.4480 -2.4480 -2.3955 -2.3955 -2.0320 -2.0320 -1.9283 -1.9283 -1.9214 -1.9214 -1.1067 -1.1067 -1.0273 -1.0273 -0.9817 -0.9817 -0.4086 -0.4086 -0.2741 -0.2741 -0.2476 -0.2476 0.3591 0.3591 0.7221 0.7221 1.1998 1.1998 1.2172 1.2172 1.3266 1.3266 1.3445 1.3445 2.5003 2.5003 2.5607 2.5607 2.6538 2.6538 2.7097 2.7097 2.7552 2.7552 2.8666 2.8666 3.9763 3.9763 3.9766 3.9766 4.3925 4.3925 4.3926 4.3926 12.2079 12.2079 13.1417 13.1417 17.2358 17.2358 k = 0.5000-0.3438-0.2354 ( 3474 PWs) bands (ev): -19.1417 -19.1417 -18.8748 -18.8748 -18.5192 -18.5192 -18.5098 -18.5098 -18.4662 -18.4662 -18.4521 -18.4521 -2.7477 -2.7477 -2.4812 -2.4812 -2.4256 -2.4256 -2.2465 -2.2465 -1.9041 -1.9041 -1.6408 -1.6408 -1.4139 -1.4139 -1.0003 -1.0003 -0.8053 -0.8053 -0.7599 -0.7599 -0.2673 -0.2673 -0.0288 -0.0288 0.9499 0.9499 1.1292 1.1292 1.1510 1.1510 1.2331 1.2331 1.2886 1.2886 1.3573 1.3573 2.2855 2.2855 2.5110 2.5110 2.5714 2.5714 2.7090 2.7090 2.7570 2.7570 2.8711 2.8711 3.9491 3.9491 4.0682 4.0682 4.3358 4.3358 4.4872 4.4872 12.5555 12.5555 13.6908 13.6908 16.4713 16.4713 k = 0.5102-0.3337-0.2284 ( 3468 PWs) bands (ev): -19.1415 -19.1415 -18.8746 -18.8746 -18.5198 -18.5198 -18.5093 -18.5093 -18.4681 -18.4681 -18.4505 -18.4505 -2.7481 -2.7481 -2.4889 -2.4889 -2.4226 -2.4226 -2.2424 -2.2424 -1.9022 -1.9022 -1.6404 -1.6404 -1.4144 -1.4144 -1.0003 -1.0003 -0.8126 -0.8126 -0.7514 -0.7514 -0.2664 -0.2664 -0.0279 -0.0279 0.9492 0.9492 1.1277 1.1277 1.1510 1.1510 1.2313 1.2313 1.2881 1.2881 1.3570 1.3570 2.2852 2.2852 2.5102 2.5102 2.5724 2.5724 2.7095 2.7095 2.7572 2.7572 2.8712 2.8712 3.9467 3.9467 4.0666 4.0666 4.3386 4.3386 4.4882 4.4882 12.5568 12.5568 13.6925 13.6925 16.4705 16.4705 k = 0.5204-0.3235-0.2215 ( 3471 PWs) bands (ev): -19.1409 -19.1409 -18.8740 -18.8740 -18.5212 -18.5212 -18.5082 -18.5082 -18.4724 -18.4724 -18.4470 -18.4470 -2.7490 -2.7490 -2.5077 -2.5077 -2.4174 -2.4174 -2.2309 -2.2309 -1.8965 -1.8965 -1.6391 -1.6391 -1.4158 -1.4158 -1.0001 -1.0001 -0.8268 -0.8268 -0.7334 -0.7334 -0.2635 -0.2635 -0.0253 -0.0253 0.9471 0.9471 1.1236 1.1236 1.1506 1.1506 1.2260 1.2260 1.2862 1.2862 1.3560 1.3560 2.2842 2.2842 2.5078 2.5078 2.5750 2.5750 2.7110 2.7110 2.7578 2.7578 2.8716 2.8716 3.9396 3.9396 4.0617 4.0617 4.3467 4.3467 4.4913 4.4913 12.5608 12.5608 13.6976 13.6976 16.4678 16.4678 k = 0.5306-0.3134-0.2146 ( 3473 PWs) bands (ev): -19.1400 -19.1400 -18.8732 -18.8732 -18.5232 -18.5232 -18.5070 -18.5070 -18.4776 -18.4776 -18.4431 -18.4431 -2.7505 -2.7505 -2.5322 -2.5322 -2.4137 -2.4137 -2.2135 -2.2135 -1.8871 -1.8871 -1.6371 -1.6371 -1.4182 -1.4182 -0.9997 -0.9997 -0.8421 -0.8421 -0.7118 -0.7118 -0.2587 -0.2587 -0.0210 -0.0210 0.9434 0.9434 1.1171 1.1171 1.1494 1.1494 1.2176 1.2176 1.2828 1.2828 1.3545 1.3545 2.2825 2.2825 2.5043 2.5043 2.5787 2.5787 2.7134 2.7134 2.7588 2.7588 2.8722 2.8722 3.9284 3.9284 4.0541 4.0541 4.3595 4.3595 4.4962 4.4962 12.5675 12.5675 13.7061 13.7061 16.4627 16.4627 k = 0.5409-0.3033-0.2077 ( 3468 PWs) bands (ev): -19.1388 -19.1388 -18.8719 -18.8719 -18.5255 -18.5255 -18.5059 -18.5059 -18.4829 -18.4829 -18.4392 -18.4392 -2.7527 -2.7527 -2.5595 -2.5595 -2.4124 -2.4124 -2.1920 -2.1920 -1.8743 -1.8743 -1.6341 -1.6341 -1.4212 -1.4212 -0.9992 -0.9992 -0.8568 -0.8568 -0.6882 -0.6882 -0.2520 -0.2520 -0.0149 -0.0149 0.9383 0.9383 1.1087 1.1087 1.1470 1.1470 1.2068 1.2068 1.2775 1.2775 1.3525 1.3525 2.2801 2.2801 2.5003 2.5003 2.5828 2.5828 2.7168 2.7168 2.7604 2.7604 2.8731 2.8731 3.9138 3.9138 4.0440 4.0440 4.3763 4.3763 4.5026 4.5026 12.5768 12.5768 13.7180 13.7180 16.4530 16.4530 k = 0.5511-0.2932-0.2007 ( 3467 PWs) bands (ev): -19.1372 -19.1372 -18.8703 -18.8703 -18.5280 -18.5280 -18.5057 -18.5057 -18.4877 -18.4877 -18.4356 -18.4356 -2.7554 -2.7554 -2.5883 -2.5883 -2.4131 -2.4131 -2.1680 -2.1680 -1.8585 -1.8585 -1.6304 -1.6304 -1.4249 -1.4249 -0.9986 -0.9986 -0.8705 -0.8705 -0.6632 -0.6632 -0.2436 -0.2436 -0.0072 -0.0072 0.9315 0.9315 1.0986 1.0986 1.1430 1.1430 1.1944 1.1944 1.2701 1.2701 1.3500 1.3500 2.2771 2.2771 2.4960 2.4960 2.5865 2.5865 2.7212 2.7212 2.7624 2.7624 2.8744 2.8744 3.8966 3.8966 4.0319 4.0319 4.3962 4.3962 4.5102 4.5102 12.5887 12.5887 13.7331 13.7331 16.4305 16.4305 k = 0.5613-0.2831-0.1938 ( 3471 PWs) bands (ev): -19.1352 -19.1352 -18.8684 -18.8684 -18.5309 -18.5309 -18.5072 -18.5072 -18.4909 -18.4909 -18.4324 -18.4324 -2.7588 -2.7588 -2.6178 -2.6178 -2.4154 -2.4154 -2.1426 -2.1426 -1.8401 -1.8401 -1.6258 -1.6258 -1.4288 -1.4288 -0.9977 -0.9977 -0.8828 -0.8828 -0.6371 -0.6371 -0.2335 -0.2335 0.0020 0.0020 0.9231 0.9231 1.0866 1.0866 1.1369 1.1369 1.1813 1.1813 1.2604 1.2604 1.3472 1.3472 2.2735 2.2735 2.4918 2.4918 2.5892 2.5892 2.7265 2.7265 2.7651 2.7651 2.8760 2.8760 3.8776 3.8776 4.0183 4.0183 4.4185 4.4185 4.5185 4.5185 12.6031 12.6031 13.7516 13.7516 16.3853 16.3853 k = 0.5715-0.2730-0.1869 ( 3479 PWs) bands (ev): -19.1330 -19.1330 -18.8661 -18.8661 -18.5341 -18.5341 -18.5110 -18.5110 -18.4919 -18.4919 -18.4294 -18.4294 -2.7627 -2.7627 -2.6474 -2.6474 -2.4188 -2.4188 -2.1165 -2.1165 -1.8198 -1.8198 -1.6204 -1.6204 -1.4328 -1.4328 -0.9966 -0.9966 -0.8938 -0.8938 -0.6100 -0.6100 -0.2218 -0.2218 0.0128 0.0128 0.9130 0.9130 1.0725 1.0725 1.1283 1.1283 1.1687 1.1687 1.2486 1.2486 1.3440 1.3440 2.2693 2.2693 2.4876 2.4876 2.5906 2.5906 2.7326 2.7326 2.7683 2.7683 2.8780 2.8780 3.8573 3.8573 4.0036 4.0036 4.4426 4.4426 4.5272 4.5272 12.6199 12.6199 13.7734 13.7734 16.3242 16.3242 k = 0.5817-0.2628-0.1800 ( 3479 PWs) bands (ev): -19.1304 -19.1304 -18.8635 -18.8635 -18.5380 -18.5380 -18.5159 -18.5159 -18.4914 -18.4914 -18.4268 -18.4268 -2.7672 -2.7672 -2.6767 -2.6767 -2.4230 -2.4230 -2.0900 -2.0900 -1.7982 -1.7982 -1.6143 -1.6143 -1.4361 -1.4361 -0.9953 -0.9953 -0.9034 -0.9034 -0.5820 -0.5820 -0.2086 -0.2086 0.0249 0.0249 0.9011 0.9011 1.0562 1.0562 1.1170 1.1170 1.1574 1.1574 1.2348 1.2348 1.3404 1.3404 2.2644 2.2644 2.4835 2.4835 2.5904 2.5904 2.7394 2.7394 2.7723 2.7723 2.8807 2.8807 3.8362 3.8362 3.9883 3.9883 4.4680 4.4680 4.5361 4.5361 12.6390 12.6390 13.7983 13.7983 16.2540 16.2540 k = 0.5919-0.2527-0.1730 ( 3479 PWs) bands (ev): -19.1276 -19.1276 -18.8606 -18.8606 -18.5426 -18.5426 -18.5211 -18.5211 -18.4902 -18.4902 -18.4245 -18.4245 -2.7725 -2.7725 -2.7052 -2.7052 -2.4279 -2.4279 -2.0635 -2.0635 -1.7763 -1.7763 -1.6077 -1.6077 -1.4381 -1.4381 -0.9937 -0.9937 -0.9116 -0.9116 -0.5531 -0.5531 -0.1941 -0.1941 0.0384 0.0384 0.8875 0.8875 1.0371 1.0371 1.1037 1.1037 1.1474 1.1474 1.2193 1.2193 1.3365 1.3365 2.2591 2.2591 2.4795 2.4795 2.5883 2.5883 2.7466 2.7466 2.7771 2.7771 2.8840 2.8840 3.8148 3.8148 3.9727 3.9727 4.4943 4.4943 4.5449 4.5449 12.6604 12.6604 13.8264 13.8264 16.1774 16.1774 k = 0.6022-0.2426-0.1661 ( 3478 PWs) bands (ev): -19.1245 -19.1245 -18.8574 -18.8574 -18.5483 -18.5483 -18.5257 -18.5257 -18.4887 -18.4887 -18.4226 -18.4226 -2.7790 -2.7790 -2.7323 -2.7323 -2.4332 -2.4332 -2.0370 -2.0370 -1.7548 -1.7548 -1.6011 -1.6011 -1.4379 -1.4379 -0.9918 -0.9918 -0.9183 -0.9183 -0.5235 -0.5235 -0.1784 -0.1784 0.0531 0.0531 0.8721 0.8721 1.0152 1.0152 1.0894 1.0894 1.1379 1.1379 1.2027 1.2027 1.3322 1.3322 2.2532 2.2532 2.4754 2.4754 2.5844 2.5844 2.7537 2.7537 2.7826 2.7826 2.8880 2.8880 3.7933 3.7933 3.9572 3.9572 4.5208 4.5208 4.5536 4.5536 12.6838 12.6838 13.8576 13.8576 16.0961 16.0961 k = 0.6124-0.2325-0.1592 ( 3486 PWs) bands (ev): -19.1212 -19.1212 -18.8539 -18.8539 -18.5550 -18.5550 -18.5297 -18.5297 -18.4872 -18.4872 -18.4210 -18.4210 -2.7881 -2.7881 -2.7563 -2.7563 -2.4388 -2.4388 -2.0105 -2.0105 -1.7346 -1.7346 -1.5950 -1.5950 -1.4345 -1.4345 -0.9896 -0.9896 -0.9236 -0.9236 -0.4931 -0.4931 -0.1617 -0.1617 0.0688 0.0688 0.8551 0.8551 0.9906 0.9906 1.0748 1.0748 1.1278 1.1278 1.1857 1.1857 1.3275 1.3275 2.2469 2.2469 2.4711 2.4711 2.5788 2.5788 2.7603 2.7603 2.7891 2.7891 2.8929 2.8929 3.7720 3.7720 3.9419 3.9419 4.5460 4.5460 4.5636 4.5636 12.7092 12.7092 13.8918 13.8918 16.0113 16.0113 k = 0.6226-0.2224-0.1523 ( 3483 PWs) bands (ev): -19.1176 -19.1176 -18.8501 -18.8501 -18.5625 -18.5625 -18.5330 -18.5330 -18.4856 -18.4856 -18.4197 -18.4197 -2.8034 -2.8034 -2.7735 -2.7735 -2.4447 -2.4447 -1.9840 -1.9840 -1.7165 -1.7165 -1.5900 -1.5900 -1.4268 -1.4268 -0.9871 -0.9871 -0.9274 -0.9274 -0.4621 -0.4621 -0.1440 -0.1440 0.0855 0.0855 0.8366 0.8366 0.9636 0.9636 1.0599 1.0599 1.1161 1.1161 1.1695 1.1695 1.3225 1.3225 2.2401 2.2401 2.4665 2.4665 2.5715 2.5715 2.7660 2.7660 2.7966 2.7966 2.8987 2.8987 3.7512 3.7512 3.9272 3.9272 4.5619 4.5619 4.5824 4.5824 12.7363 12.7363 13.9289 13.9289 15.9237 15.9237 k = 0.6328-0.2123-0.1453 ( 3489 PWs) bands (ev): -19.1140 -19.1140 -18.8460 -18.8460 -18.5707 -18.5707 -18.5359 -18.5359 -18.4841 -18.4841 -18.4187 -18.4187 -2.8248 -2.8248 -2.7839 -2.7839 -2.4507 -2.4507 -1.9575 -1.9575 -1.7012 -1.7012 -1.5864 -1.5864 -1.4142 -1.4142 -0.9844 -0.9844 -0.9298 -0.9298 -0.4305 -0.4305 -0.1256 -0.1256 0.1028 0.1028 0.8167 0.8167 0.9349 0.9349 1.0445 1.0445 1.1017 1.1017 1.1556 1.1556 1.3172 1.3172 2.2328 2.2328 2.4614 2.4614 2.5627 2.5627 2.7708 2.7708 2.8047 2.8047 2.9054 2.9054 3.7310 3.7310 3.9132 3.9132 4.5695 4.5695 4.6087 4.6087 12.7650 12.7650 13.9689 13.9689 15.8343 15.8343 k = 0.6430-0.2021-0.1384 ( 3487 PWs) bands (ev): -19.1101 -19.1101 -18.8416 -18.8416 -18.5792 -18.5792 -18.5384 -18.5384 -18.4826 -18.4826 -18.4181 -18.4181 -2.8481 -2.8481 -2.7915 -2.7915 -2.4568 -2.4568 -1.9310 -1.9310 -1.6890 -1.6890 -1.5839 -1.5839 -1.3969 -1.3969 -0.9814 -0.9814 -0.9307 -0.9307 -0.3983 -0.3983 -0.1066 -0.1066 0.1206 0.1206 0.7954 0.7954 0.9050 0.9050 1.0281 1.0281 1.0848 1.0848 1.1446 1.1446 1.3117 1.3117 2.2252 2.2252 2.4558 2.4558 2.5527 2.5527 2.7746 2.7746 2.8134 2.8134 2.9130 2.9130 3.7116 3.7116 3.9001 3.9001 4.5747 4.5747 4.6364 4.6364 12.7950 12.7950 14.0116 14.0116 15.7436 15.7436 k = 0.6532-0.1920-0.1315 ( 3491 PWs) bands (ev): -19.1063 -19.1063 -18.8371 -18.8371 -18.5879 -18.5879 -18.5406 -18.5406 -18.4811 -18.4811 -18.4177 -18.4177 -2.8714 -2.8714 -2.7981 -2.7981 -2.4630 -2.4630 -1.9045 -1.9045 -1.6805 -1.6805 -1.5817 -1.5817 -1.3755 -1.3755 -0.9781 -0.9781 -0.9301 -0.9301 -0.3656 -0.3656 -0.0873 -0.0873 0.1387 0.1387 0.7728 0.7728 0.8744 0.8744 1.0100 1.0100 1.0663 1.0663 1.1361 1.1361 1.3060 1.3060 2.2172 2.2172 2.4493 2.4493 2.5415 2.5415 2.7775 2.7775 2.8223 2.8223 2.9214 2.9214 3.6930 3.6930 3.8879 3.8879 4.5784 4.5784 4.6644 4.6644 12.8261 12.8261 14.0570 14.0570 15.6523 15.6523 k = 0.6634-0.1819-0.1246 ( 3487 PWs) bands (ev): -19.1024 -19.1024 -18.8323 -18.8323 -18.5967 -18.5967 -18.5427 -18.5427 -18.4798 -18.4798 -18.4176 -18.4176 -2.8940 -2.8940 -2.8044 -2.8044 -2.4692 -2.4692 -1.8779 -1.8779 -1.6759 -1.6759 -1.5790 -1.5790 -1.3511 -1.3511 -0.9746 -0.9746 -0.9281 -0.9281 -0.3325 -0.3325 -0.0677 -0.0677 0.1567 0.1567 0.7490 0.7490 0.8439 0.8439 0.9897 0.9897 1.0480 1.0480 1.1294 1.1294 1.3000 1.3000 2.2089 2.2089 2.4421 2.4421 2.5296 2.5296 2.7799 2.7799 2.8312 2.8312 2.9305 2.9305 3.6754 3.6754 3.8767 3.8767 4.5808 4.5808 4.6924 4.6924 12.8580 12.8580 14.1050 14.1050 15.5609 15.5609 k = 0.6737-0.1718-0.1176 ( 3485 PWs) bands (ev): -19.0985 -19.0985 -18.8273 -18.8273 -18.6055 -18.6055 -18.5446 -18.5446 -18.4786 -18.4786 -18.4177 -18.4177 -2.9157 -2.9157 -2.8104 -2.8104 -2.4754 -2.4754 -1.8515 -1.8515 -1.6750 -1.6750 -1.5749 -1.5749 -1.3248 -1.3248 -0.9709 -0.9709 -0.9246 -0.9246 -0.2991 -0.2991 -0.0483 -0.0483 0.1743 0.1743 0.7240 0.7240 0.8139 0.8139 0.9671 0.9671 1.0306 1.0306 1.1241 1.1241 1.2940 1.2940 2.2003 2.2003 2.4339 2.4339 2.5170 2.5170 2.7817 2.7817 2.8399 2.8399 2.9400 2.9400 3.6589 3.6589 3.8666 3.8666 4.5820 4.5820 4.7203 4.7203 12.8903 12.8903 14.1555 14.1555 15.4700 15.4700 k = 0.6839-0.1617-0.1107 ( 3487 PWs) bands (ev): -19.0948 -19.0948 -18.8222 -18.8222 -18.6140 -18.6140 -18.5464 -18.5464 -18.4775 -18.4775 -18.4180 -18.4180 -2.9364 -2.9364 -2.8162 -2.8162 -2.4816 -2.4816 -1.8253 -1.8253 -1.6773 -1.6773 -1.5694 -1.5694 -1.2975 -1.2975 -0.9669 -0.9669 -0.9197 -0.9197 -0.2654 -0.2654 -0.0290 -0.0290 0.1910 0.1910 0.6977 0.6977 0.7852 0.7852 0.9426 0.9426 1.0148 1.0148 1.1197 1.1197 1.2878 1.2878 2.1914 2.1914 2.4247 2.4247 2.5040 2.5040 2.7830 2.7830 2.8485 2.8485 2.9497 2.9497 3.6435 3.6435 3.8576 3.8576 4.5819 4.5819 4.7478 4.7478 12.9227 12.9227 14.2083 14.2083 15.3802 15.3802 k = 0.6941-0.1516-0.1038 ( 3486 PWs) bands (ev): -19.0912 -19.0912 -18.8169 -18.8169 -18.6223 -18.6223 -18.5480 -18.5480 -18.4766 -18.4766 -18.4186 -18.4186 -2.9561 -2.9561 -2.8217 -2.8217 -2.4877 -2.4877 -1.7994 -1.7994 -1.6819 -1.6819 -1.5626 -1.5626 -1.2701 -1.2701 -0.9626 -0.9626 -0.9134 -0.9134 -0.2316 -0.2316 -0.0102 -0.0102 0.2064 0.2064 0.6702 0.6702 0.7583 0.7583 0.9171 0.9171 1.0002 1.0002 1.1162 1.1162 1.2817 1.2817 2.1822 2.1822 2.4146 2.4146 2.4906 2.4906 2.7841 2.7841 2.8569 2.8569 2.9595 2.9595 3.6293 3.6293 3.8496 3.8496 4.5805 4.5805 4.7751 4.7751 12.9546 12.9546 14.2634 14.2634 15.2919 15.2919 k = 0.7043-0.1415-0.0969 ( 3490 PWs) bands (ev): -19.0879 -19.0879 -18.8115 -18.8115 -18.6302 -18.6302 -18.5495 -18.5495 -18.4758 -18.4758 -18.4193 -18.4193 -2.9746 -2.9746 -2.8270 -2.8270 -2.4937 -2.4937 -1.7746 -1.7746 -1.6875 -1.6875 -1.5552 -1.5552 -1.2432 -1.2432 -0.9579 -0.9579 -0.9060 -0.9060 -0.1978 -0.1978 0.0078 0.0078 0.2199 0.2199 0.6418 0.6418 0.7338 0.7338 0.8913 0.8913 0.9869 0.9869 1.1133 1.1133 1.2755 1.2755 2.1727 2.1727 2.4037 2.4037 2.4771 2.4771 2.7848 2.7848 2.8650 2.8650 2.9691 2.9691 3.6162 3.6162 3.8427 3.8427 4.5779 4.5779 4.8019 4.8019 12.9856 12.9856 14.3206 14.3206 15.2059 15.2059 k = 0.7145-0.1313-0.0899 ( 3488 PWs) bands (ev): -19.0850 -19.0850 -18.8060 -18.8060 -18.6376 -18.6376 -18.5509 -18.5509 -18.4751 -18.4751 -18.4201 -18.4201 -2.9921 -2.9921 -2.8320 -2.8320 -2.4997 -2.4997 -1.7521 -1.7521 -1.6922 -1.6922 -1.5473 -1.5473 -1.2174 -1.2174 -0.9527 -0.9527 -0.8975 -0.8975 -0.1643 -0.1643 0.0248 0.0248 0.2308 0.2308 0.6126 0.6126 0.7124 0.7124 0.8661 0.8661 0.9747 0.9747 1.1111 1.1111 1.2693 1.2693 2.1631 2.1631 2.3921 2.3921 2.4635 2.4635 2.7854 2.7854 2.8729 2.8729 2.9785 2.9785 3.6044 3.6044 3.8369 3.8369 4.5740 4.5740 4.8283 4.8283 13.0149 13.0149 14.3798 14.3798 15.1228 15.1228 k = 0.7247-0.1212-0.0830 ( 3486 PWs) bands (ev): -19.0825 -19.0825 -18.8005 -18.8005 -18.6443 -18.6443 -18.5522 -18.5522 -18.4747 -18.4747 -18.4211 -18.4211 -3.0084 -3.0084 -2.8366 -2.8366 -2.5056 -2.5056 -1.7366 -1.7366 -1.6911 -1.6911 -1.5393 -1.5393 -1.1931 -1.1931 -0.9468 -0.9468 -0.8880 -0.8880 -0.1315 -0.1315 0.0407 0.0407 0.2387 0.2387 0.5830 0.5830 0.6945 0.6945 0.8420 0.8420 0.9637 0.9637 1.1094 1.1094 1.2632 1.2632 2.1533 2.1533 2.3800 2.3800 2.4498 2.4498 2.7858 2.7858 2.8805 2.8805 2.9874 2.9874 3.5937 3.5937 3.8320 3.8320 4.5689 4.5689 4.8542 4.8542 13.0419 13.0419 14.4407 14.4407 15.0436 15.0436 k = 0.7350-0.1111-0.0761 ( 3485 PWs) bands (ev): -19.0806 -19.0806 -18.7949 -18.7949 -18.6503 -18.6503 -18.5534 -18.5534 -18.4745 -18.4745 -18.4222 -18.4222 -3.0237 -3.0237 -2.8408 -2.8408 -2.5113 -2.5113 -1.7338 -1.7338 -1.6781 -1.6781 -1.5314 -1.5314 -1.1708 -1.1708 -0.9403 -0.9403 -0.8779 -0.8779 -0.0998 -0.0998 0.0552 0.0552 0.2431 0.2431 0.5532 0.5532 0.6809 0.6809 0.8197 0.8197 0.9538 0.9538 1.1083 1.1083 1.2573 1.2573 2.1434 2.1434 2.3676 2.3676 2.4361 2.4361 2.7860 2.7860 2.8878 2.8878 2.9958 2.9958 3.5842 3.5842 3.8282 3.8282 4.5626 4.5626 4.8795 4.8795 13.0658 13.0658 14.5031 14.5031 14.9692 14.9692 k = 0.7452-0.1010-0.0691 ( 3484 PWs) bands (ev): -19.0793 -19.0793 -18.7893 -18.7893 -18.6554 -18.6554 -18.5544 -18.5544 -18.4745 -18.4745 -18.4233 -18.4233 -3.0379 -3.0379 -2.8446 -2.8446 -2.5169 -2.5169 -1.7393 -1.7393 -1.6578 -1.6578 -1.5238 -1.5238 -1.1506 -1.1506 -0.9329 -0.9329 -0.8674 -0.8674 -0.0703 -0.0703 0.0684 0.0684 0.2443 0.2443 0.5232 0.5232 0.6719 0.6719 0.7997 0.7997 0.9453 0.9453 1.1078 1.1078 1.2515 1.2515 2.1332 2.1332 2.3553 2.3553 2.4225 2.4225 2.7862 2.7862 2.8949 2.8949 3.0035 3.0035 3.5757 3.5757 3.8253 3.8253 4.5552 4.5552 4.9043 4.9043 13.0856 13.0856 14.5664 14.5664 14.9010 14.9010 k = 0.7554-0.0909-0.0622 ( 3483 PWs) bands (ev): -19.0788 -19.0788 -18.7838 -18.7838 -18.6594 -18.6594 -18.5553 -18.5553 -18.4748 -18.4748 -18.4244 -18.4244 -3.0511 -3.0511 -2.8478 -2.8478 -2.5223 -2.5223 -1.7474 -1.7474 -1.6357 -1.6357 -1.5166 -1.5166 -1.1328 -1.1328 -0.9246 -0.9246 -0.8566 -0.8566 -0.0446 -0.0446 0.0809 0.0809 0.2429 0.2429 0.4932 0.4932 0.6674 0.6674 0.7823 0.7823 0.9382 0.9382 1.1079 1.1079 1.2460 1.2460 2.1229 2.1229 2.3432 2.3432 2.4090 2.4090 2.7864 2.7864 2.9016 2.9016 3.0104 3.0104 3.5683 3.5683 3.8233 3.8233 4.5466 4.5466 4.9284 4.9284 13.1002 13.1002 14.6289 14.6289 14.8416 14.8416 k = 0.7656-0.0808-0.0553 ( 3484 PWs) bands (ev): -19.0792 -19.0792 -18.7783 -18.7783 -18.6624 -18.6624 -18.5561 -18.5561 -18.4753 -18.4753 -18.4255 -18.4255 -3.0633 -3.0633 -2.8504 -2.8504 -2.5276 -2.5276 -1.7565 -1.7565 -1.6138 -1.6138 -1.5097 -1.5097 -1.1175 -1.1175 -0.9154 -0.9154 -0.8458 -0.8458 -0.0251 -0.0251 0.0940 0.0940 0.2401 0.2401 0.4634 0.4634 0.6669 0.6669 0.7681 0.7681 0.9328 0.9328 1.1086 1.1086 1.2408 1.2408 2.1123 2.1123 2.3315 2.3315 2.3956 2.3956 2.7865 2.7865 2.9080 2.9080 3.0165 3.0165 3.5619 3.5619 3.8222 3.8222 4.5370 4.5370 4.9518 4.9518 13.1086 13.1086 14.6835 14.6835 14.7993 14.7993 Writing output data file NiF3.save init_run : 0.27s CPU 0.49s WALL ( 1 calls) electrons : 188.69s CPU 191.69s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.14s WALL ( 1 calls) Called by electrons: c_bands : 188.68s CPU 191.69s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.04s WALL ( 291 calls) cegterg : 173.57s CPU 175.70s WALL ( 447 calls) Called by sum_band: Called by *egterg: h_psi : 103.80s CPU 105.39s WALL ( 7051 calls) s_psi : 5.53s CPU 5.46s WALL ( 7051 calls) g_psi : 0.20s CPU 0.20s WALL ( 6313 calls) cdiaghg : 60.28s CPU 61.08s WALL ( 6604 calls) cegterg:over : 6.54s CPU 6.63s WALL ( 6313 calls) cegterg:upda : 4.74s CPU 4.76s WALL ( 6313 calls) cegterg:last : 3.14s CPU 3.17s WALL ( 1029 calls) cdiaghg:chol : 3.38s CPU 3.43s WALL ( 6604 calls) cdiaghg:inve : 2.33s CPU 2.40s WALL ( 6604 calls) cdiaghg:para : 4.16s CPU 4.04s WALL ( 13208 calls) Called by h_psi: h_psi:vloc : 92.33s CPU 93.88s WALL ( 7051 calls) h_psi:vnl : 11.24s CPU 11.29s WALL ( 7051 calls) add_vuspsi : 5.67s CPU 5.79s WALL ( 7051 calls) General routines calbec : 5.55s CPU 5.48s WALL ( 7051 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 86.46s CPU 87.96s WALL ( 875920 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.31s WALL ( 582 calls) Parallel routines fft_scatter : 26.10s CPU 26.94s WALL ( 875943 calls) PWSCF : 3m26.47s CPU 3m48.32s WALL This run was terminated on: 17:56:27 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=