Program PWSCF v.5.1.1 starts on 21Nov2015 at 3:36:21 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./FeBiO3.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 52 30 8 1712 740 115 Max 53 31 9 1714 765 118 Sum 2507 1451 421 82207 36243 5601 bravais-lattice index = 14 lattice parameter (alat) = 10.6211 a.u. unit-cell volume = 834.7463 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 62.00 number of Kohn-Sham states= 74 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.621073 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.509735 celldm(5)= 0.509735 celldm(6)= 0.509735 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.509735 0.860331 0.000000 ) a(3) = ( 0.509735 0.290476 0.809811 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.592487 -0.416927 ) b(2) = ( 0.000000 1.162343 -0.416927 ) b(3) = ( 0.000000 0.000000 1.234856 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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 Fe read from file: /home/autes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Bi read from file: /home/autes/Pseudo/Bi_MT_PBE.UPF MD5 check sum: b574f8a1102dd4d1778b4090b55884d0 Pseudo is Norm-conserving, Zval = 5.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1283 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Fe 8.00 55.84500 Fe( 1.00) Bi 5.00 208.98040 Bi( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 258 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038760 k( 2) = ( 0.0142857 -0.0084641 -0.0059561), wk = 0.0038760 k( 3) = ( 0.0285714 -0.0169282 -0.0119122), wk = 0.0038760 k( 4) = ( 0.0428571 -0.0253923 -0.0178683), wk = 0.0038760 k( 5) = ( 0.0571429 -0.0338564 -0.0238244), wk = 0.0038760 k( 6) = ( 0.0714286 -0.0423205 -0.0297805), wk = 0.0038760 k( 7) = ( 0.0857143 -0.0507846 -0.0357366), wk = 0.0038760 k( 8) = ( 0.1000000 -0.0592487 -0.0416927), wk = 0.0038760 k( 9) = ( 0.1142857 -0.0677128 -0.0476488), wk = 0.0038760 k( 10) = ( 0.1285714 -0.0761769 -0.0536049), wk = 0.0038760 k( 11) = ( 0.1428571 -0.0846410 -0.0595610), wk = 0.0038760 k( 12) = ( 0.1571429 -0.0931051 -0.0655171), wk = 0.0038760 k( 13) = ( 0.1714286 -0.1015692 -0.0714732), wk = 0.0038760 k( 14) = ( 0.1857143 -0.1100333 -0.0774293), wk = 0.0038760 k( 15) = ( 0.2000000 -0.1184974 -0.0833854), wk = 0.0038760 k( 16) = ( 0.2142857 -0.1269615 -0.0893415), wk = 0.0038760 k( 17) = ( 0.2285714 -0.1354257 -0.0952976), wk = 0.0038760 k( 18) = ( 0.2428571 -0.1438898 -0.1012537), wk = 0.0038760 k( 19) = ( 0.2571429 -0.1523539 -0.1072099), wk = 0.0038760 k( 20) = ( 0.2714286 -0.1608180 -0.1131660), wk = 0.0038760 k( 21) = ( 0.2857143 -0.1692821 -0.1191221), wk = 0.0038760 k( 22) = ( 0.3000000 -0.1777462 -0.1250782), wk = 0.0038760 k( 23) = ( 0.3142857 -0.1862103 -0.1310343), wk = 0.0038760 k( 24) = ( 0.3285714 -0.1946744 -0.1369904), wk = 0.0038760 k( 25) = ( 0.3428571 -0.2031385 -0.1429465), wk = 0.0038760 k( 26) = ( 0.3571429 -0.2116026 -0.1489026), wk = 0.0038760 k( 27) = ( 0.3714286 -0.2200667 -0.1548587), wk = 0.0038760 k( 28) = ( 0.3857143 -0.2285308 -0.1608148), wk = 0.0038760 k( 29) = ( 0.4000000 -0.2369949 -0.1667709), wk = 0.0038760 k( 30) = ( 0.4142857 -0.2454590 -0.1727270), wk = 0.0038760 k( 31) = ( 0.4285714 -0.2539231 -0.1786831), wk = 0.0038760 k( 32) = ( 0.4428571 -0.2623872 -0.1846392), wk = 0.0038760 k( 33) = ( 0.4571429 -0.2708513 -0.1905953), wk = 0.0038760 k( 34) = ( 0.4714286 -0.2793154 -0.1965514), wk = 0.0038760 k( 35) = ( 0.4857143 -0.2877795 -0.2025075), wk = 0.0038760 k( 36) = ( 0.5000000 -0.2962436 -0.2084636), wk = 0.0038760 k( 37) = ( 0.5000000 -0.2962436 -0.2084636), wk = 0.0038760 k( 38) = ( 0.5000000 -0.2859656 -0.2230695), wk = 0.0038760 k( 39) = ( 0.5000000 -0.2756876 -0.2376753), wk = 0.0038760 k( 40) = ( 0.5000000 -0.2654096 -0.2522812), wk = 0.0038760 k( 41) = ( 0.5000000 -0.2551316 -0.2668871), wk = 0.0038760 k( 42) = ( 0.5000000 -0.2448536 -0.2814930), wk = 0.0038760 k( 43) = ( 0.5000000 -0.2345756 -0.2960988), wk = 0.0038760 k( 44) = ( 0.5000000 -0.2242976 -0.3107047), wk = 0.0038760 k( 45) = ( 0.5000000 -0.2140196 -0.3253106), wk = 0.0038760 k( 46) = ( 0.5000000 -0.2037416 -0.3399164), wk = 0.0038760 k( 47) = ( 0.5000000 -0.1934636 -0.3545223), wk = 0.0038760 k( 48) = ( 0.5000000 -0.1831856 -0.3691282), wk = 0.0038760 k( 49) = ( 0.5000000 -0.1729076 -0.3837341), wk = 0.0038760 k( 50) = ( 0.5000000 -0.1626296 -0.3983399), wk = 0.0038760 k( 51) = ( 0.5000000 -0.1523516 -0.4129458), wk = 0.0038760 k( 52) = ( 0.5000000 -0.1420736 -0.4275517), wk = 0.0038760 k( 53) = ( 0.5000000 -0.1317956 -0.4421575), wk = 0.0038760 k( 54) = ( 0.5000000 -0.1215176 -0.4567634), wk = 0.0038760 k( 55) = ( 0.5000000 -0.1112396 -0.4713693), wk = 0.0038760 k( 56) = ( 0.5000000 -0.1009616 -0.4859752), wk = 0.0038760 k( 57) = ( 0.5000000 -0.0906836 -0.5005810), wk = 0.0038760 k( 58) = ( 0.5000000 -0.0804056 -0.5151869), wk = 0.0038760 k( 59) = ( 0.5000000 -0.0701276 -0.5297928), wk = 0.0038760 k( 60) = ( 0.5000000 -0.0598496 -0.5443986), wk = 0.0038760 k( 61) = ( 0.5000000 -0.0495716 -0.5590045), wk = 0.0038760 k( 62) = ( 0.5000000 -0.0392936 -0.5736104), wk = 0.0038760 k( 63) = ( 0.5000000 -0.0290155 -0.5882163), wk = 0.0038760 k( 64) = ( 0.5000000 -0.0187376 -0.6028221), wk = 0.0038760 k( 65) = ( 0.5000000 -0.0084595 -0.6174280), wk = 0.0038760 k( 66) = ( 0.7524104 0.1353779 -0.2164264), wk = 0.0038760 k( 67) = ( 0.7437065 0.1405348 -0.2020496), wk = 0.0038760 k( 68) = ( 0.7350028 0.1456917 -0.1876728), wk = 0.0038760 k( 69) = ( 0.7262989 0.1508486 -0.1732960), wk = 0.0038760 k( 70) = ( 0.7175951 0.1560055 -0.1589192), wk = 0.0038760 k( 71) = ( 0.7088913 0.1611624 -0.1445424), wk = 0.0038760 k( 72) = ( 0.7001875 0.1663193 -0.1301656), wk = 0.0038760 k( 73) = ( 0.6914837 0.1714762 -0.1157888), wk = 0.0038760 k( 74) = ( 0.6827799 0.1766331 -0.1014120), wk = 0.0038760 k( 75) = ( 0.6740761 0.1817900 -0.0870352), wk = 0.0038760 k( 76) = ( 0.6653723 0.1869469 -0.0726584), wk = 0.0038760 k( 77) = ( 0.6566685 0.1921038 -0.0582816), wk = 0.0038760 k( 78) = ( 0.6479647 0.1972607 -0.0439048), wk = 0.0038760 k( 79) = ( 0.6392609 0.2024176 -0.0295280), wk = 0.0038760 k( 80) = ( 0.6305571 0.2075745 -0.0151512), wk = 0.0038760 k( 81) = ( 0.6218533 0.2127313 -0.0007744), wk = 0.0038760 k( 82) = ( 0.6131495 0.2178882 0.0136024), wk = 0.0038760 k( 83) = ( 0.6044457 0.2230451 0.0279792), wk = 0.0038760 k( 84) = ( 0.5957419 0.2282020 0.0423560), wk = 0.0038760 k( 85) = ( 0.5870381 0.2333589 0.0567328), wk = 0.0038760 k( 86) = ( 0.5783343 0.2385158 0.0711096), wk = 0.0038760 k( 87) = ( 0.5696304 0.2436727 0.0854864), wk = 0.0038760 k( 88) = ( 0.5609266 0.2488296 0.0998632), wk = 0.0038760 k( 89) = ( 0.5522228 0.2539865 0.1142400), wk = 0.0038760 k( 90) = ( 0.5435190 0.2591434 0.1286168), wk = 0.0038760 k( 91) = ( 0.5348152 0.2643003 0.1429936), wk = 0.0038760 k( 92) = ( 0.5261114 0.2694572 0.1573704), wk = 0.0038760 k( 93) = ( 0.5174076 0.2746141 0.1717472), wk = 0.0038760 k( 94) = ( 0.5087038 0.2797710 0.1861240), wk = 0.0038760 k( 95) = ( 0.5000000 0.2849279 0.2005008), wk = 0.0038760 k( 96) = ( 0.5000000 0.2849279 0.2005008), wk = 0.0038760 k( 97) = ( 0.4857143 0.2767871 0.1947722), wk = 0.0038760 k( 98) = ( 0.4714286 0.2686463 0.1890436), wk = 0.0038760 k( 99) = ( 0.4571429 0.2605055 0.1833150), wk = 0.0038760 k( 100) = ( 0.4428571 0.2523647 0.1775864), wk = 0.0038760 k( 101) = ( 0.4285714 0.2442239 0.1718578), wk = 0.0038760 k( 102) = ( 0.4142857 0.2360831 0.1661292), wk = 0.0038760 k( 103) = ( 0.4000000 0.2279423 0.1604007), wk = 0.0038760 k( 104) = ( 0.3857143 0.2198015 0.1546721), wk = 0.0038760 k( 105) = ( 0.3714286 0.2116607 0.1489435), wk = 0.0038760 k( 106) = ( 0.3571429 0.2035199 0.1432149), wk = 0.0038760 k( 107) = ( 0.3428571 0.1953791 0.1374863), wk = 0.0038760 k( 108) = ( 0.3285714 0.1872383 0.1317577), wk = 0.0038760 k( 109) = ( 0.3142857 0.1790975 0.1260291), wk = 0.0038760 k( 110) = ( 0.3000000 0.1709567 0.1203005), wk = 0.0038760 k( 111) = ( 0.2857143 0.1628159 0.1145719), wk = 0.0038760 k( 112) = ( 0.2714286 0.1546751 0.1088433), wk = 0.0038760 k( 113) = ( 0.2571429 0.1465343 0.1031147), wk = 0.0038760 k( 114) = ( 0.2428571 0.1383935 0.0973861), wk = 0.0038760 k( 115) = ( 0.2285714 0.1302527 0.0916575), wk = 0.0038760 k( 116) = ( 0.2142857 0.1221119 0.0859289), wk = 0.0038760 k( 117) = ( 0.2000000 0.1139711 0.0802003), wk = 0.0038760 k( 118) = ( 0.1857143 0.1058303 0.0744717), wk = 0.0038760 k( 119) = ( 0.1714286 0.0976895 0.0687431), wk = 0.0038760 k( 120) = ( 0.1571429 0.0895488 0.0630145), wk = 0.0038760 k( 121) = ( 0.1428571 0.0814080 0.0572859), wk = 0.0038760 k( 122) = ( 0.1285714 0.0732672 0.0515574), wk = 0.0038760 k( 123) = ( 0.1142857 0.0651264 0.0458288), wk = 0.0038760 k( 124) = ( 0.1000000 0.0569856 0.0401002), wk = 0.0038760 k( 125) = ( 0.0857143 0.0488448 0.0343716), wk = 0.0038760 k( 126) = ( 0.0714286 0.0407040 0.0286430), wk = 0.0038760 k( 127) = ( 0.0571429 0.0325632 0.0229144), wk = 0.0038760 k( 128) = ( 0.0428571 0.0244224 0.0171858), wk = 0.0038760 k( 129) = ( 0.0285714 0.0162816 0.0114572), wk = 0.0038760 k( 130) = ( 0.0142857 0.0081408 0.0057286), wk = 0.0038760 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038760 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038760 k( 133) = ( 0.0086929 -0.0051504 -0.0143588), wk = 0.0038760 k( 134) = ( 0.0173858 -0.0103009 -0.0287176), wk = 0.0038760 k( 135) = ( 0.0260787 -0.0154513 -0.0430764), wk = 0.0038760 k( 136) = ( 0.0347716 -0.0206017 -0.0574352), wk = 0.0038760 k( 137) = ( 0.0434645 -0.0257522 -0.0717939), wk = 0.0038760 k( 138) = ( 0.0521574 -0.0309026 -0.0861528), wk = 0.0038760 k( 139) = ( 0.0608503 -0.0360530 -0.1005115), wk = 0.0038760 k( 140) = ( 0.0695432 -0.0412035 -0.1148703), wk = 0.0038760 k( 141) = ( 0.0782361 -0.0463539 -0.1292291), wk = 0.0038760 k( 142) = ( 0.0869290 -0.0515043 -0.1435879), wk = 0.0038760 k( 143) = ( 0.0956219 -0.0566548 -0.1579467), wk = 0.0038760 k( 144) = ( 0.1043148 -0.0618052 -0.1723055), wk = 0.0038760 k( 145) = ( 0.1130077 -0.0669556 -0.1866643), wk = 0.0038760 k( 146) = ( 0.1217006 -0.0721061 -0.2010231), wk = 0.0038760 k( 147) = ( 0.1303935 -0.0772565 -0.2153819), wk = 0.0038760 k( 148) = ( 0.1390864 -0.0824069 -0.2297406), wk = 0.0038760 k( 149) = ( 0.1477794 -0.0875574 -0.2440995), wk = 0.0038760 k( 150) = ( 0.1564723 -0.0927078 -0.2584582), wk = 0.0038760 k( 151) = ( 0.1651652 -0.0978582 -0.2728170), wk = 0.0038760 k( 152) = ( 0.1738581 -0.1030087 -0.2871758), wk = 0.0038760 k( 153) = ( 0.1825510 -0.1081591 -0.3015346), wk = 0.0038760 k( 154) = ( 0.1912439 -0.1133095 -0.3158934), wk = 0.0038760 k( 155) = ( 0.1999368 -0.1184600 -0.3302522), wk = 0.0038760 k( 156) = ( 0.2086297 -0.1236104 -0.3446110), wk = 0.0038760 k( 157) = ( 0.2173226 -0.1287608 -0.3589698), wk = 0.0038760 k( 158) = ( 0.2260155 -0.1339113 -0.3733286), wk = 0.0038760 k( 159) = ( 0.2347084 -0.1390617 -0.3876874), wk = 0.0038760 k( 160) = ( 0.2434013 -0.1442122 -0.4020462), wk = 0.0038760 k( 161) = ( 0.2520942 -0.1493626 -0.4164049), wk = 0.0038760 k( 162) = ( 0.2607871 -0.1545130 -0.4307637), wk = 0.0038760 k( 163) = ( 0.2694800 -0.1596635 -0.4451225), wk = 0.0038760 k( 164) = ( 0.2781729 -0.1648139 -0.4594813), wk = 0.0038760 k( 165) = ( 0.2868658 -0.1699643 -0.4738401), wk = 0.0038760 k( 166) = ( 0.2955587 -0.1751148 -0.4881989), wk = 0.0038760 k( 167) = ( 0.3042516 -0.1802652 -0.5025577), wk = 0.0038760 k( 168) = ( 0.3129445 -0.1854156 -0.5169165), wk = 0.0038760 k( 169) = ( 0.3216374 -0.1905661 -0.5312753), wk = 0.0038760 k( 170) = ( 0.3303303 -0.1957165 -0.5456341), wk = 0.0038760 k( 171) = ( 0.3390232 -0.2008669 -0.5599929), wk = 0.0038760 k( 172) = ( 0.3477161 -0.2060174 -0.5743516), wk = 0.0038760 k( 173) = ( 0.3564090 -0.2111678 -0.5887104), wk = 0.0038760 k( 174) = ( 0.3651019 -0.2163182 -0.6030692), wk = 0.0038760 k( 175) = ( 0.3737948 -0.2214687 -0.6174280), wk = 0.0038760 k( 176) = ( 0.6262052 0.0634592 -0.4169272), wk = 0.0038760 k( 177) = ( 0.6177915 0.0782238 -0.4169272), wk = 0.0038760 k( 178) = ( 0.6093778 0.0929884 -0.4169272), wk = 0.0038760 k( 179) = ( 0.6009641 0.1077529 -0.4169272), wk = 0.0038760 k( 180) = ( 0.5925505 0.1225175 -0.4169272), wk = 0.0038760 k( 181) = ( 0.5841368 0.1372821 -0.4169272), wk = 0.0038760 k( 182) = ( 0.5757231 0.1520467 -0.4169272), wk = 0.0038760 k( 183) = ( 0.5673094 0.1668112 -0.4169272), wk = 0.0038760 k( 184) = ( 0.5588958 0.1815758 -0.4169272), wk = 0.0038760 k( 185) = ( 0.5504821 0.1963404 -0.4169272), wk = 0.0038760 k( 186) = ( 0.5420684 0.2111050 -0.4169272), wk = 0.0038760 k( 187) = ( 0.5336547 0.2258696 -0.4169272), wk = 0.0038760 k( 188) = ( 0.5252410 0.2406341 -0.4169272), wk = 0.0038760 k( 189) = ( 0.5168274 0.2553987 -0.4169272), wk = 0.0038760 k( 190) = ( 0.5084137 0.2701633 -0.4169272), wk = 0.0038760 k( 191) = ( 0.5000000 0.2849279 -0.4169272), wk = 0.0038760 k( 192) = ( 0.5000000 0.2849279 -0.4169272), wk = 0.0038760 k( 193) = ( 0.5090147 0.2900649 -0.4026057), wk = 0.0038760 k( 194) = ( 0.5180293 0.2952020 -0.3882842), wk = 0.0038760 k( 195) = ( 0.5270440 0.3003390 -0.3739627), wk = 0.0038760 k( 196) = ( 0.5360586 0.3054761 -0.3596412), wk = 0.0038760 k( 197) = ( 0.5450733 0.3106131 -0.3453198), wk = 0.0038760 k( 198) = ( 0.5540879 0.3157502 -0.3309983), wk = 0.0038760 k( 199) = ( 0.5631026 0.3208872 -0.3166768), wk = 0.0038760 k( 200) = ( 0.5721173 0.3260243 -0.3023553), wk = 0.0038760 k( 201) = ( 0.5811319 0.3311613 -0.2880338), wk = 0.0038760 k( 202) = ( 0.5901466 0.3362984 -0.2737123), wk = 0.0038760 k( 203) = ( 0.5991612 0.3414354 -0.2593908), wk = 0.0038760 k( 204) = ( 0.6081759 0.3465725 -0.2450694), wk = 0.0038760 k( 205) = ( 0.6171905 0.3517095 -0.2307479), wk = 0.0038760 k( 206) = ( 0.6262052 0.3568466 -0.2164264), wk = 0.0038760 k( 207) = ( 0.6262052 0.3568466 -0.2164264), wk = 0.0038760 k( 208) = ( 0.6211570 0.3539698 -0.1997493), wk = 0.0038760 k( 209) = ( 0.6161088 0.3510931 -0.1830722), wk = 0.0038760 k( 210) = ( 0.6110606 0.3482164 -0.1663951), wk = 0.0038760 k( 211) = ( 0.6060123 0.3453396 -0.1497180), wk = 0.0038760 k( 212) = ( 0.6009641 0.3424628 -0.1330409), wk = 0.0038760 k( 213) = ( 0.5959159 0.3395861 -0.1163639), wk = 0.0038760 k( 214) = ( 0.5908677 0.3367094 -0.0996868), wk = 0.0038760 k( 215) = ( 0.5858195 0.3338326 -0.0830097), wk = 0.0038760 k( 216) = ( 0.5807713 0.3309559 -0.0663326), wk = 0.0038760 k( 217) = ( 0.5757231 0.3280791 -0.0496555), wk = 0.0038760 k( 218) = ( 0.5706749 0.3252024 -0.0329784), wk = 0.0038760 k( 219) = ( 0.5656267 0.3223256 -0.0163013), wk = 0.0038760 k( 220) = ( 0.5605785 0.3194489 0.0003758), wk = 0.0038760 k( 221) = ( 0.5555303 0.3165721 0.0170528), wk = 0.0038760 k( 222) = ( 0.5504821 0.3136954 0.0337299), wk = 0.0038760 k( 223) = ( 0.5454339 0.3108186 0.0504070), wk = 0.0038760 k( 224) = ( 0.5403857 0.3079419 0.0670841), wk = 0.0038760 k( 225) = ( 0.5353374 0.3050651 0.0837612), wk = 0.0038760 k( 226) = ( 0.5302892 0.3021884 0.1004383), wk = 0.0038760 k( 227) = ( 0.5252410 0.2993116 0.1171154), wk = 0.0038760 k( 228) = ( 0.5201928 0.2964349 0.1337925), wk = 0.0038760 k( 229) = ( 0.5151446 0.2935581 0.1504696), wk = 0.0038760 k( 230) = ( 0.5100964 0.2906814 0.1671466), wk = 0.0038760 k( 231) = ( 0.5050482 0.2878046 0.1838237), wk = 0.0038760 k( 232) = ( 0.5000000 0.2849279 0.2005008), wk = 0.0038760 k( 233) = ( 0.5000000 -0.2962436 -0.2084636), wk = 0.0038760 k( 234) = ( 0.5100964 -0.2848465 -0.2004436), wk = 0.0038760 k( 235) = ( 0.5201928 -0.2734494 -0.1924235), wk = 0.0038760 k( 236) = ( 0.5302892 -0.2620523 -0.1844035), wk = 0.0038760 k( 237) = ( 0.5403857 -0.2506552 -0.1763835), wk = 0.0038760 k( 238) = ( 0.5504821 -0.2392580 -0.1683634), wk = 0.0038760 k( 239) = ( 0.5605785 -0.2278609 -0.1603434), wk = 0.0038760 k( 240) = ( 0.5706749 -0.2164638 -0.1523234), wk = 0.0038760 k( 241) = ( 0.5807713 -0.2050667 -0.1443033), wk = 0.0038760 k( 242) = ( 0.5908677 -0.1936696 -0.1362833), wk = 0.0038760 k( 243) = ( 0.6009641 -0.1822725 -0.1282633), wk = 0.0038760 k( 244) = ( 0.6110606 -0.1708754 -0.1202432), wk = 0.0038760 k( 245) = ( 0.6211570 -0.1594782 -0.1122232), wk = 0.0038760 k( 246) = ( 0.6312534 -0.1480811 -0.1042032), wk = 0.0038760 k( 247) = ( 0.6413498 -0.1366840 -0.0961831), wk = 0.0038760 k( 248) = ( 0.6514462 -0.1252869 -0.0881631), wk = 0.0038760 k( 249) = ( 0.6615426 -0.1138898 -0.0801431), wk = 0.0038760 k( 250) = ( 0.6716390 -0.1024927 -0.0721230), wk = 0.0038760 k( 251) = ( 0.6817355 -0.0910956 -0.0641030), wk = 0.0038760 k( 252) = ( 0.6918319 -0.0796984 -0.0560830), wk = 0.0038760 k( 253) = ( 0.7019283 -0.0683013 -0.0480629), wk = 0.0038760 k( 254) = ( 0.7120247 -0.0569042 -0.0400429), wk = 0.0038760 k( 255) = ( 0.7221211 -0.0455071 -0.0320229), wk = 0.0038760 k( 256) = ( 0.7322175 -0.0341100 -0.0240029), wk = 0.0038760 k( 257) = ( 0.7423140 -0.0227129 -0.0159828), wk = 0.0038760 k( 258) = ( 0.7524104 -0.0113158 -0.0079628), wk = 0.0038760 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038760 k( 2) = ( 0.0142857 -0.0000000 0.0000000), wk = 0.0038760 k( 3) = ( 0.0285714 -0.0000000 -0.0000000), wk = 0.0038760 k( 4) = ( 0.0428571 -0.0000000 -0.0000000), wk = 0.0038760 k( 5) = ( 0.0571429 -0.0000000 -0.0000000), wk = 0.0038760 k( 6) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0038760 k( 7) = ( 0.0857143 -0.0000000 -0.0000000), wk = 0.0038760 k( 8) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0038760 k( 9) = ( 0.1142857 0.0000000 0.0000000), wk = 0.0038760 k( 10) = ( 0.1285714 0.0000000 0.0000000), wk = 0.0038760 k( 11) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0038760 k( 12) = ( 0.1571429 0.0000000 -0.0000000), wk = 0.0038760 k( 13) = ( 0.1714286 0.0000000 0.0000000), wk = 0.0038760 k( 14) = ( 0.1857143 -0.0000000 -0.0000000), wk = 0.0038760 k( 15) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0038760 k( 16) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0038760 k( 17) = ( 0.2285714 -0.0000000 0.0000000), wk = 0.0038760 k( 18) = ( 0.2428571 -0.0000000 -0.0000000), wk = 0.0038760 k( 19) = ( 0.2571429 0.0000000 0.0000000), wk = 0.0038760 k( 20) = ( 0.2714286 -0.0000000 -0.0000000), wk = 0.0038760 k( 21) = ( 0.2857143 0.0000000 -0.0000000), wk = 0.0038760 k( 22) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0038760 k( 23) = ( 0.3142857 -0.0000000 0.0000000), wk = 0.0038760 k( 24) = ( 0.3285714 -0.0000000 0.0000000), wk = 0.0038760 k( 25) = ( 0.3428571 0.0000000 0.0000000), wk = 0.0038760 k( 26) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0038760 k( 27) = ( 0.3714286 0.0000000 0.0000000), wk = 0.0038760 k( 28) = ( 0.3857143 -0.0000000 0.0000000), wk = 0.0038760 k( 29) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0038760 k( 30) = ( 0.4142857 -0.0000000 0.0000000), wk = 0.0038760 k( 31) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0038760 k( 32) = ( 0.4428571 -0.0000000 -0.0000000), wk = 0.0038760 k( 33) = ( 0.4571429 -0.0000000 0.0000000), wk = 0.0038760 k( 34) = ( 0.4714286 0.0000000 0.0000000), wk = 0.0038760 k( 35) = ( 0.4857143 -0.0000000 -0.0000000), wk = 0.0038760 k( 36) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0038760 k( 37) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0038760 k( 38) = ( 0.5000000 0.0088425 -0.0088425), wk = 0.0038760 k( 39) = ( 0.5000000 0.0176850 -0.0176850), wk = 0.0038760 k( 40) = ( 0.5000000 0.0265275 -0.0265275), wk = 0.0038760 k( 41) = ( 0.5000000 0.0353699 -0.0353700), wk = 0.0038760 k( 42) = ( 0.5000000 0.0442124 -0.0442124), wk = 0.0038760 k( 43) = ( 0.5000000 0.0530549 -0.0530549), wk = 0.0038760 k( 44) = ( 0.5000000 0.0618974 -0.0618974), wk = 0.0038760 k( 45) = ( 0.5000000 0.0707399 -0.0707399), wk = 0.0038760 k( 46) = ( 0.5000000 0.0795824 -0.0795824), wk = 0.0038760 k( 47) = ( 0.5000000 0.0884249 -0.0884249), wk = 0.0038760 k( 48) = ( 0.5000000 0.0972674 -0.0972674), wk = 0.0038760 k( 49) = ( 0.5000000 0.1061098 -0.1061099), wk = 0.0038760 k( 50) = ( 0.5000000 0.1149523 -0.1149523), wk = 0.0038760 k( 51) = ( 0.5000000 0.1237948 -0.1237948), wk = 0.0038760 k( 52) = ( 0.5000000 0.1326373 -0.1326373), wk = 0.0038760 k( 53) = ( 0.5000000 0.1414798 -0.1414798), wk = 0.0038760 k( 54) = ( 0.5000000 0.1503223 -0.1503223), wk = 0.0038760 k( 55) = ( 0.5000000 0.1591648 -0.1591648), wk = 0.0038760 k( 56) = ( 0.5000000 0.1680073 -0.1680073), wk = 0.0038760 k( 57) = ( 0.5000000 0.1768497 -0.1768497), wk = 0.0038760 k( 58) = ( 0.5000000 0.1856922 -0.1856922), wk = 0.0038760 k( 59) = ( 0.5000000 0.1945347 -0.1945347), wk = 0.0038760 k( 60) = ( 0.5000000 0.2033772 -0.2033772), wk = 0.0038760 k( 61) = ( 0.5000000 0.2122197 -0.2122197), wk = 0.0038760 k( 62) = ( 0.5000000 0.2210622 -0.2210622), wk = 0.0038760 k( 63) = ( 0.5000000 0.2299047 -0.2299047), wk = 0.0038760 k( 64) = ( 0.5000000 0.2387471 -0.2387472), wk = 0.0038760 k( 65) = ( 0.5000000 0.2475896 -0.2475896), wk = 0.0038760 k( 66) = ( 0.7524104 0.5000000 0.2475896), wk = 0.0038760 k( 67) = ( 0.7437065 0.5000000 0.2562934), wk = 0.0038760 k( 68) = ( 0.7350028 0.5000000 0.2649972), wk = 0.0038760 k( 69) = ( 0.7262989 0.5000000 0.2737011), wk = 0.0038760 k( 70) = ( 0.7175951 0.5000000 0.2824049), wk = 0.0038760 k( 71) = ( 0.7088913 0.5000000 0.2911087), wk = 0.0038760 k( 72) = ( 0.7001875 0.5000000 0.2998125), wk = 0.0038760 k( 73) = ( 0.6914837 0.5000000 0.3085163), wk = 0.0038760 k( 74) = ( 0.6827799 0.5000000 0.3172201), wk = 0.0038760 k( 75) = ( 0.6740761 0.5000000 0.3259239), wk = 0.0038760 k( 76) = ( 0.6653723 0.5000000 0.3346277), wk = 0.0038760 k( 77) = ( 0.6566685 0.5000000 0.3433315), wk = 0.0038760 k( 78) = ( 0.6479647 0.5000000 0.3520353), wk = 0.0038760 k( 79) = ( 0.6392609 0.5000000 0.3607391), wk = 0.0038760 k( 80) = ( 0.6305571 0.5000000 0.3694429), wk = 0.0038760 k( 81) = ( 0.6218533 0.5000000 0.3781467), wk = 0.0038760 k( 82) = ( 0.6131495 0.5000000 0.3868505), wk = 0.0038760 k( 83) = ( 0.6044457 0.5000000 0.3955543), wk = 0.0038760 k( 84) = ( 0.5957419 0.5000000 0.4042581), wk = 0.0038760 k( 85) = ( 0.5870381 0.5000000 0.4129619), wk = 0.0038760 k( 86) = ( 0.5783343 0.5000000 0.4216657), wk = 0.0038760 k( 87) = ( 0.5696304 0.5000000 0.4303696), wk = 0.0038760 k( 88) = ( 0.5609266 0.5000000 0.4390734), wk = 0.0038760 k( 89) = ( 0.5522228 0.5000000 0.4477772), wk = 0.0038760 k( 90) = ( 0.5435190 0.5000000 0.4564810), wk = 0.0038760 k( 91) = ( 0.5348152 0.5000000 0.4651848), wk = 0.0038760 k( 92) = ( 0.5261114 0.5000000 0.4738886), wk = 0.0038760 k( 93) = ( 0.5174076 0.5000000 0.4825924), wk = 0.0038760 k( 94) = ( 0.5087038 0.5000000 0.4912962), wk = 0.0038760 k( 95) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038760 k( 96) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038760 k( 97) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0038760 k( 98) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0038760 k( 99) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0038760 k( 100) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0038760 k( 101) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0038760 k( 102) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0038760 k( 103) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0038760 k( 104) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0038760 k( 105) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0038760 k( 106) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0038760 k( 107) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0038760 k( 108) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0038760 k( 109) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0038760 k( 110) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0038760 k( 111) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0038760 k( 112) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0038760 k( 113) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0038760 k( 114) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0038760 k( 115) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0038760 k( 116) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0038760 k( 117) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0038760 k( 118) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0038760 k( 119) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0038760 k( 120) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0038760 k( 121) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0038760 k( 122) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0038760 k( 123) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0038760 k( 124) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0038760 k( 125) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0038760 k( 126) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0038760 k( 127) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0038760 k( 128) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0038760 k( 129) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0038760 k( 130) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0038760 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038760 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038760 k( 133) = ( 0.0086929 -0.0000000 -0.0086929), wk = 0.0038760 k( 134) = ( 0.0173858 -0.0000000 -0.0173858), wk = 0.0038760 k( 135) = ( 0.0260787 -0.0000000 -0.0260787), wk = 0.0038760 k( 136) = ( 0.0347716 -0.0000000 -0.0347716), wk = 0.0038760 k( 137) = ( 0.0434645 -0.0000000 -0.0434645), wk = 0.0038760 k( 138) = ( 0.0521574 -0.0000000 -0.0521574), wk = 0.0038760 k( 139) = ( 0.0608503 -0.0000000 -0.0608503), wk = 0.0038760 k( 140) = ( 0.0695432 -0.0000000 -0.0695432), wk = 0.0038760 k( 141) = ( 0.0782361 -0.0000000 -0.0782361), wk = 0.0038760 k( 142) = ( 0.0869290 -0.0000000 -0.0869290), wk = 0.0038760 k( 143) = ( 0.0956219 -0.0000000 -0.0956219), wk = 0.0038760 k( 144) = ( 0.1043148 -0.0000000 -0.1043148), wk = 0.0038760 k( 145) = ( 0.1130077 -0.0000000 -0.1130077), wk = 0.0038760 k( 146) = ( 0.1217006 -0.0000000 -0.1217006), wk = 0.0038760 k( 147) = ( 0.1303935 -0.0000000 -0.1303935), wk = 0.0038760 k( 148) = ( 0.1390864 -0.0000000 -0.1390864), wk = 0.0038760 k( 149) = ( 0.1477794 0.0000000 -0.1477793), wk = 0.0038760 k( 150) = ( 0.1564723 -0.0000000 -0.1564723), wk = 0.0038760 k( 151) = ( 0.1651652 -0.0000000 -0.1651652), wk = 0.0038760 k( 152) = ( 0.1738581 -0.0000000 -0.1738581), wk = 0.0038760 k( 153) = ( 0.1825510 -0.0000000 -0.1825510), wk = 0.0038760 k( 154) = ( 0.1912439 -0.0000000 -0.1912439), wk = 0.0038760 k( 155) = ( 0.1999368 -0.0000000 -0.1999368), wk = 0.0038760 k( 156) = ( 0.2086297 -0.0000000 -0.2086297), wk = 0.0038760 k( 157) = ( 0.2173226 0.0000000 -0.2173226), wk = 0.0038760 k( 158) = ( 0.2260155 -0.0000000 -0.2260155), wk = 0.0038760 k( 159) = ( 0.2347084 -0.0000000 -0.2347084), wk = 0.0038760 k( 160) = ( 0.2434013 -0.0000000 -0.2434013), wk = 0.0038760 k( 161) = ( 0.2520942 -0.0000000 -0.2520942), wk = 0.0038760 k( 162) = ( 0.2607871 -0.0000000 -0.2607871), wk = 0.0038760 k( 163) = ( 0.2694800 -0.0000000 -0.2694800), wk = 0.0038760 k( 164) = ( 0.2781729 0.0000000 -0.2781729), wk = 0.0038760 k( 165) = ( 0.2868658 0.0000000 -0.2868658), wk = 0.0038760 k( 166) = ( 0.2955587 -0.0000000 -0.2955587), wk = 0.0038760 k( 167) = ( 0.3042516 0.0000000 -0.3042516), wk = 0.0038760 k( 168) = ( 0.3129445 -0.0000000 -0.3129445), wk = 0.0038760 k( 169) = ( 0.3216374 -0.0000000 -0.3216374), wk = 0.0038760 k( 170) = ( 0.3303303 -0.0000000 -0.3303303), wk = 0.0038760 k( 171) = ( 0.3390232 0.0000000 -0.3390232), wk = 0.0038760 k( 172) = ( 0.3477161 0.0000000 -0.3477161), wk = 0.0038760 k( 173) = ( 0.3564090 0.0000000 -0.3564090), wk = 0.0038760 k( 174) = ( 0.3651019 -0.0000000 -0.3651019), wk = 0.0038760 k( 175) = ( 0.3737948 -0.0000000 -0.3737948), wk = 0.0038760 k( 176) = ( 0.6262052 0.3737948 -0.0000000), wk = 0.0038760 k( 177) = ( 0.6177915 0.3822085 -0.0000000), wk = 0.0038760 k( 178) = ( 0.6093778 0.3906222 -0.0000000), wk = 0.0038760 k( 179) = ( 0.6009641 0.3990359 -0.0000000), wk = 0.0038760 k( 180) = ( 0.5925505 0.4074495 0.0000000), wk = 0.0038760 k( 181) = ( 0.5841368 0.4158632 -0.0000000), wk = 0.0038760 k( 182) = ( 0.5757231 0.4242769 -0.0000000), wk = 0.0038760 k( 183) = ( 0.5673094 0.4326906 -0.0000000), wk = 0.0038760 k( 184) = ( 0.5588958 0.4411042 -0.0000000), wk = 0.0038760 k( 185) = ( 0.5504821 0.4495179 0.0000000), wk = 0.0038760 k( 186) = ( 0.5420684 0.4579316 -0.0000000), wk = 0.0038760 k( 187) = ( 0.5336547 0.4663453 -0.0000000), wk = 0.0038760 k( 188) = ( 0.5252410 0.4747590 0.0000000), wk = 0.0038760 k( 189) = ( 0.5168274 0.4831726 -0.0000000), wk = 0.0038760 k( 190) = ( 0.5084137 0.4915863 -0.0000000), wk = 0.0038760 k( 191) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038760 k( 192) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038760 k( 193) = ( 0.5090147 0.5090147 0.0176850), wk = 0.0038760 k( 194) = ( 0.5180293 0.5180293 0.0353699), wk = 0.0038760 k( 195) = ( 0.5270440 0.5270440 0.0530549), wk = 0.0038760 k( 196) = ( 0.5360586 0.5360586 0.0707399), wk = 0.0038760 k( 197) = ( 0.5450733 0.5450733 0.0884249), wk = 0.0038760 k( 198) = ( 0.5540879 0.5540879 0.1061099), wk = 0.0038760 k( 199) = ( 0.5631026 0.5631026 0.1237948), wk = 0.0038760 k( 200) = ( 0.5721173 0.5721173 0.1414798), wk = 0.0038760 k( 201) = ( 0.5811319 0.5811319 0.1591648), wk = 0.0038760 k( 202) = ( 0.5901466 0.5901466 0.1768497), wk = 0.0038760 k( 203) = ( 0.5991612 0.5991612 0.1945347), wk = 0.0038760 k( 204) = ( 0.6081759 0.6081759 0.2122197), wk = 0.0038760 k( 205) = ( 0.6171905 0.6171905 0.2299047), wk = 0.0038760 k( 206) = ( 0.6262052 0.6262052 0.2475896), wk = 0.0038760 k( 207) = ( 0.6262052 0.6262052 0.2475896), wk = 0.0038760 k( 208) = ( 0.6211570 0.6211570 0.2576860), wk = 0.0038760 k( 209) = ( 0.6161088 0.6161088 0.2677825), wk = 0.0038760 k( 210) = ( 0.6110606 0.6110606 0.2778789), wk = 0.0038760 k( 211) = ( 0.6060123 0.6060123 0.2879753), wk = 0.0038760 k( 212) = ( 0.6009641 0.6009641 0.2980717), wk = 0.0038760 k( 213) = ( 0.5959159 0.5959159 0.3081681), wk = 0.0038760 k( 214) = ( 0.5908677 0.5908677 0.3182645), wk = 0.0038760 k( 215) = ( 0.5858195 0.5858195 0.3283610), wk = 0.0038760 k( 216) = ( 0.5807713 0.5807713 0.3384574), wk = 0.0038760 k( 217) = ( 0.5757231 0.5757231 0.3485538), wk = 0.0038760 k( 218) = ( 0.5706749 0.5706749 0.3586502), wk = 0.0038760 k( 219) = ( 0.5656267 0.5656267 0.3687466), wk = 0.0038760 k( 220) = ( 0.5605785 0.5605785 0.3788430), wk = 0.0038760 k( 221) = ( 0.5555303 0.5555303 0.3889394), wk = 0.0038760 k( 222) = ( 0.5504821 0.5504821 0.3990359), wk = 0.0038760 k( 223) = ( 0.5454339 0.5454339 0.4091323), wk = 0.0038760 k( 224) = ( 0.5403857 0.5403857 0.4192287), wk = 0.0038760 k( 225) = ( 0.5353374 0.5353374 0.4293251), wk = 0.0038760 k( 226) = ( 0.5302892 0.5302892 0.4394215), wk = 0.0038760 k( 227) = ( 0.5252410 0.5252410 0.4495179), wk = 0.0038760 k( 228) = ( 0.5201928 0.5201928 0.4596143), wk = 0.0038760 k( 229) = ( 0.5151446 0.5151446 0.4697108), wk = 0.0038760 k( 230) = ( 0.5100964 0.5100964 0.4798072), wk = 0.0038760 k( 231) = ( 0.5050482 0.5050482 0.4899036), wk = 0.0038760 k( 232) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038760 k( 233) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0038760 k( 234) = ( 0.5100964 0.0149518 0.0149518), wk = 0.0038760 k( 235) = ( 0.5201928 0.0299036 0.0299036), wk = 0.0038760 k( 236) = ( 0.5302892 0.0448554 0.0448554), wk = 0.0038760 k( 237) = ( 0.5403857 0.0598072 0.0598072), wk = 0.0038760 k( 238) = ( 0.5504821 0.0747590 0.0747590), wk = 0.0038760 k( 239) = ( 0.5605785 0.0897108 0.0897108), wk = 0.0038760 k( 240) = ( 0.5706749 0.1046625 0.1046625), wk = 0.0038760 k( 241) = ( 0.5807713 0.1196143 0.1196143), wk = 0.0038760 k( 242) = ( 0.5908677 0.1345661 0.1345661), wk = 0.0038760 k( 243) = ( 0.6009641 0.1495179 0.1495179), wk = 0.0038760 k( 244) = ( 0.6110606 0.1644697 0.1644697), wk = 0.0038760 k( 245) = ( 0.6211570 0.1794215 0.1794215), wk = 0.0038760 k( 246) = ( 0.6312534 0.1943733 0.1943733), wk = 0.0038760 k( 247) = ( 0.6413498 0.2093251 0.2093251), wk = 0.0038760 k( 248) = ( 0.6514462 0.2242769 0.2242769), wk = 0.0038760 k( 249) = ( 0.6615426 0.2392287 0.2392287), wk = 0.0038760 k( 250) = ( 0.6716390 0.2541805 0.2541805), wk = 0.0038760 k( 251) = ( 0.6817355 0.2691323 0.2691323), wk = 0.0038760 k( 252) = ( 0.6918319 0.2840841 0.2840841), wk = 0.0038760 k( 253) = ( 0.7019283 0.2990359 0.2990359), wk = 0.0038760 k( 254) = ( 0.7120247 0.3139876 0.3139876), wk = 0.0038760 k( 255) = ( 0.7221211 0.3289394 0.3289394), wk = 0.0038760 k( 256) = ( 0.7322175 0.3438912 0.3438912), wk = 0.0038760 k( 257) = ( 0.7423140 0.3588430 0.3588430), wk = 0.0038760 k( 258) = ( 0.7524104 0.3737948 0.3737948), wk = 0.0038760 Dense grid: 82207 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 36243 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 202, 74) NL pseudopotentials 0.28 Mb ( 101, 184) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1713) G-vector shells 0.01 Mb ( 1459) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.91 Mb ( 202, 296) Each subspace H/S matrix 1.34 Mb ( 296, 296) Each matrix 0.42 Mb ( 184, 2, 74) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./FeBiO3.save/charge-density.dat Starting wfc are 100 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.5 secs Computing kpt #: 2 total cpu time spent up to now is 48.5 secs Computing kpt #: 3 total cpu time spent up to now is 52.9 secs Computing kpt #: 4 total cpu time spent up to now is 57.3 secs Computing kpt #: 5 total cpu time spent up to now is 61.4 secs Computing kpt #: 6 total cpu time spent up to now is 66.8 secs Computing kpt #: 7 total cpu time spent up to now is 71.1 secs Computing kpt #: 8 total cpu time spent up to now is 78.4 secs Computing kpt #: 9 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 86.3 secs Computing kpt #: 10 total cpu time spent up to now is 91.7 secs Computing kpt #: 11 total cpu time spent up to now is 99.1 secs Computing kpt #: 12 total cpu time spent up to now is 106.4 secs Computing kpt #: 13 total cpu time spent up to now is 110.9 secs Computing kpt #: 14 total cpu time spent up to now is 115.2 secs Computing kpt #: 15 total cpu time spent up to now is 119.0 secs Computing kpt #: 16 total cpu time spent up to now is 123.0 secs Computing kpt #: 17 total cpu time spent up to now is 126.7 secs Computing kpt #: 18 total cpu time spent up to now is 130.6 secs Computing kpt #: 19 total cpu time spent up to now is 134.5 secs Computing kpt #: 20 total cpu time spent up to now is 138.2 secs Computing kpt #: 21 total cpu time spent up to now is 142.0 secs Computing kpt #: 22 total cpu time spent up to now is 145.7 secs Computing kpt #: 23 total cpu time spent up to now is 149.4 secs Computing kpt #: 24 total cpu time spent up to now is 153.0 secs Computing kpt #: 25 total cpu time spent up to now is 156.7 secs Computing kpt #: 26 total cpu time spent up to now is 160.3 secs Computing kpt #: 27 total cpu time spent up to now is 163.9 secs Computing kpt #: 28 total cpu time spent up to now is 167.7 secs Computing kpt #: 29 total cpu time spent up to now is 171.5 secs Computing kpt #: 30 total cpu time spent up to now is 175.2 secs Computing kpt #: 31 total cpu time spent up to now is 178.9 secs Computing kpt #: 32 total cpu time spent up to now is 182.8 secs Computing kpt #: 33 total cpu time spent up to now is 186.9 secs Computing kpt #: 34 total cpu time spent up to now is 190.9 secs Computing kpt #: 35 total cpu time spent up to now is 194.9 secs Computing kpt #: 36 total cpu time spent up to now is 199.0 secs Computing kpt #: 37 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 206.4 secs Computing kpt #: 38 total cpu time spent up to now is 210.2 secs Computing kpt #: 39 total cpu time spent up to now is 214.2 secs Computing kpt #: 40 total cpu time spent up to now is 218.0 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 225.9 secs Computing kpt #: 42 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 233.8 secs Computing kpt #: 43 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 242.0 secs Computing kpt #: 44 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 249.8 secs Computing kpt #: 45 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 257.7 secs Computing kpt #: 46 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 265.6 secs Computing kpt #: 47 total cpu time spent up to now is 269.4 secs Computing kpt #: 48 total cpu time spent up to now is 273.3 secs Computing kpt #: 49 total cpu time spent up to now is 277.2 secs Computing kpt #: 50 total cpu time spent up to now is 281.0 secs Computing kpt #: 51 total cpu time spent up to now is 284.8 secs Computing kpt #: 52 total cpu time spent up to now is 288.8 secs Computing kpt #: 53 total cpu time spent up to now is 293.0 secs Computing kpt #: 54 total cpu time spent up to now is 296.9 secs Computing kpt #: 55 total cpu time spent up to now is 301.3 secs Computing kpt #: 56 total cpu time spent up to now is 305.1 secs Computing kpt #: 57 total cpu time spent up to now is 309.0 secs Computing kpt #: 58 total cpu time spent up to now is 313.3 secs Computing kpt #: 59 total cpu time spent up to now is 317.0 secs Computing kpt #: 60 total cpu time spent up to now is 320.7 secs Computing kpt #: 61 total cpu time spent up to now is 324.5 secs Computing kpt #: 62 total cpu time spent up to now is 328.1 secs Computing kpt #: 63 total cpu time spent up to now is 331.8 secs Computing kpt #: 64 total cpu time spent up to now is 335.5 secs Computing kpt #: 65 total cpu time spent up to now is 339.3 secs Computing kpt #: 66 total cpu time spent up to now is 343.0 secs Computing kpt #: 67 total cpu time spent up to now is 346.8 secs Computing kpt #: 68 total cpu time spent up to now is 350.8 secs Computing kpt #: 69 total cpu time spent up to now is 354.9 secs Computing kpt #: 70 total cpu time spent up to now is 361.0 secs Computing kpt #: 71 total cpu time spent up to now is 366.7 secs Computing kpt #: 72 total cpu time spent up to now is 370.6 secs Computing kpt #: 73 total cpu time spent up to now is 376.3 secs Computing kpt #: 74 total cpu time spent up to now is 380.3 secs Computing kpt #: 75 total cpu time spent up to now is 384.2 secs Computing kpt #: 76 total cpu time spent up to now is 388.0 secs Computing kpt #: 77 total cpu time spent up to now is 391.8 secs Computing kpt #: 78 total cpu time spent up to now is 395.5 secs Computing kpt #: 79 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 403.3 secs Computing kpt #: 80 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 411.3 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 419.3 secs Computing kpt #: 82 total cpu time spent up to now is 423.0 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 430.8 secs Computing kpt #: 84 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 438.6 secs Computing kpt #: 85 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 446.6 secs Computing kpt #: 86 total cpu time spent up to now is 450.4 secs Computing kpt #: 87 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 458.4 secs Computing kpt #: 88 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 466.3 secs Computing kpt #: 89 total cpu time spent up to now is 470.1 secs Computing kpt #: 90 total cpu time spent up to now is 474.0 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 481.9 secs Computing kpt #: 92 total cpu time spent up to now is 485.7 secs Computing kpt #: 93 total cpu time spent up to now is 489.6 secs Computing kpt #: 94 total cpu time spent up to now is 493.4 secs Computing kpt #: 95 total cpu time spent up to now is 497.2 secs Computing kpt #: 96 total cpu time spent up to now is 501.0 secs Computing kpt #: 97 total cpu time spent up to now is 504.4 secs Computing kpt #: 98 total cpu time spent up to now is 507.8 secs Computing kpt #: 99 total cpu time spent up to now is 511.2 secs Computing kpt #: 100 total cpu time spent up to now is 514.5 secs Computing kpt #: 101 total cpu time spent up to now is 517.7 secs Computing kpt #: 102 total cpu time spent up to now is 521.0 secs Computing kpt #: 103 total cpu time spent up to now is 524.2 secs Computing kpt #: 104 total cpu time spent up to now is 527.5 secs Computing kpt #: 105 total cpu time spent up to now is 530.8 secs Computing kpt #: 106 total cpu time spent up to now is 534.1 secs Computing kpt #: 107 total cpu time spent up to now is 537.4 secs Computing kpt #: 108 total cpu time spent up to now is 540.7 secs Computing kpt #: 109 total cpu time spent up to now is 544.1 secs Computing kpt #: 110 total cpu time spent up to now is 547.3 secs Computing kpt #: 111 total cpu time spent up to now is 550.4 secs Computing kpt #: 112 total cpu time spent up to now is 553.6 secs Computing kpt #: 113 total cpu time spent up to now is 556.8 secs Computing kpt #: 114 total cpu time spent up to now is 559.9 secs Computing kpt #: 115 total cpu time spent up to now is 563.0 secs Computing kpt #: 116 total cpu time spent up to now is 566.1 secs Computing kpt #: 117 total cpu time spent up to now is 569.3 secs Computing kpt #: 118 total cpu time spent up to now is 572.5 secs Computing kpt #: 119 total cpu time spent up to now is 575.7 secs Computing kpt #: 120 total cpu time spent up to now is 578.9 secs Computing kpt #: 121 total cpu time spent up to now is 582.1 secs Computing kpt #: 122 total cpu time spent up to now is 585.5 secs Computing kpt #: 123 total cpu time spent up to now is 589.1 secs Computing kpt #: 124 total cpu time spent up to now is 592.8 secs Computing kpt #: 125 total cpu time spent up to now is 597.4 secs Computing kpt #: 126 total cpu time spent up to now is 602.5 secs Computing kpt #: 127 total cpu time spent up to now is 607.7 secs Computing kpt #: 128 total cpu time spent up to now is 613.0 secs Computing kpt #: 129 total cpu time spent up to now is 616.9 secs Computing kpt #: 130 total cpu time spent up to now is 622.2 secs Computing kpt #: 131 total cpu time spent up to now is 627.3 secs Computing kpt #: 132 total cpu time spent up to now is 632.3 secs Computing kpt #: 133 total cpu time spent up to now is 637.7 secs Computing kpt #: 134 total cpu time spent up to now is 642.0 secs Computing kpt #: 135 total cpu time spent up to now is 646.0 secs Computing kpt #: 136 total cpu time spent up to now is 650.4 secs Computing kpt #: 137 total cpu time spent up to now is 654.4 secs Computing kpt #: 138 total cpu time spent up to now is 662.0 secs Computing kpt #: 139 total cpu time spent up to now is 667.6 secs Computing kpt #: 140 total cpu time spent up to now is 671.6 secs Computing kpt #: 141 total cpu time spent up to now is 675.5 secs Computing kpt #: 142 total cpu time spent up to now is 679.5 secs Computing kpt #: 143 total cpu time spent up to now is 683.4 secs Computing kpt #: 144 total cpu time spent up to now is 689.2 secs Computing kpt #: 145 total cpu time spent up to now is 695.5 secs Computing kpt #: 146 total cpu time spent up to now is 699.6 secs Computing kpt #: 147 total cpu time spent up to now is 704.1 secs Computing kpt #: 148 total cpu time spent up to now is 708.0 secs Computing kpt #: 149 total cpu time spent up to now is 712.0 secs Computing kpt #: 150 total cpu time spent up to now is 719.4 secs Computing kpt #: 151 total cpu time spent up to now is 723.4 secs Computing kpt #: 152 total cpu time spent up to now is 730.8 secs Computing kpt #: 153 total cpu time spent up to now is 738.2 secs Computing kpt #: 154 total cpu time spent up to now is 742.1 secs Computing kpt #: 155 total cpu time spent up to now is 747.6 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 755.6 secs Computing kpt #: 157 total cpu time spent up to now is 760.2 secs Computing kpt #: 158 total cpu time spent up to now is 765.7 secs Computing kpt #: 159 total cpu time spent up to now is 769.6 secs Computing kpt #: 160 total cpu time spent up to now is 775.1 secs Computing kpt #: 161 total cpu time spent up to now is 778.8 secs Computing kpt #: 162 total cpu time spent up to now is 782.5 secs Computing kpt #: 163 total cpu time spent up to now is 786.2 secs Computing kpt #: 164 total cpu time spent up to now is 789.8 secs Computing kpt #: 165 total cpu time spent up to now is 793.4 secs Computing kpt #: 166 total cpu time spent up to now is 796.9 secs Computing kpt #: 167 total cpu time spent up to now is 800.4 secs Computing kpt #: 168 total cpu time spent up to now is 804.0 secs Computing kpt #: 169 total cpu time spent up to now is 807.5 secs Computing kpt #: 170 total cpu time spent up to now is 810.9 secs Computing kpt #: 171 total cpu time spent up to now is 814.4 secs Computing kpt #: 172 total cpu time spent up to now is 817.8 secs Computing kpt #: 173 total cpu time spent up to now is 821.3 secs Computing kpt #: 174 total cpu time spent up to now is 824.7 secs Computing kpt #: 175 total cpu time spent up to now is 828.1 secs Computing kpt #: 176 total cpu time spent up to now is 831.7 secs Computing kpt #: 177 total cpu time spent up to now is 835.2 secs Computing kpt #: 178 total cpu time spent up to now is 838.6 secs Computing kpt #: 179 total cpu time spent up to now is 842.4 secs Computing kpt #: 180 total cpu time spent up to now is 845.8 secs Computing kpt #: 181 total cpu time spent up to now is 849.2 secs Computing kpt #: 182 total cpu time spent up to now is 852.7 secs Computing kpt #: 183 total cpu time spent up to now is 856.2 secs Computing kpt #: 184 total cpu time spent up to now is 859.7 secs Computing kpt #: 185 total cpu time spent up to now is 863.1 secs Computing kpt #: 186 total cpu time spent up to now is 866.5 secs Computing kpt #: 187 total cpu time spent up to now is 870.2 secs Computing kpt #: 188 total cpu time spent up to now is 873.6 secs Computing kpt #: 189 total cpu time spent up to now is 877.1 secs Computing kpt #: 190 total cpu time spent up to now is 880.4 secs Computing kpt #: 191 total cpu time spent up to now is 883.8 secs Computing kpt #: 192 total cpu time spent up to now is 887.1 secs Computing kpt #: 193 total cpu time spent up to now is 890.5 secs Computing kpt #: 194 total cpu time spent up to now is 893.9 secs Computing kpt #: 195 total cpu time spent up to now is 897.2 secs Computing kpt #: 196 total cpu time spent up to now is 900.6 secs Computing kpt #: 197 total cpu time spent up to now is 904.0 secs Computing kpt #: 198 total cpu time spent up to now is 907.4 secs Computing kpt #: 199 total cpu time spent up to now is 910.8 secs Computing kpt #: 200 total cpu time spent up to now is 914.3 secs Computing kpt #: 201 total cpu time spent up to now is 917.8 secs Computing kpt #: 202 total cpu time spent up to now is 921.3 secs Computing kpt #: 203 total cpu time spent up to now is 924.9 secs Computing kpt #: 204 total cpu time spent up to now is 928.6 secs Computing kpt #: 205 total cpu time spent up to now is 934.3 secs Computing kpt #: 206 total cpu time spent up to now is 940.0 secs Computing kpt #: 207 total cpu time spent up to now is 945.8 secs Computing kpt #: 208 total cpu time spent up to now is 951.6 secs Computing kpt #: 209 total cpu time spent up to now is 957.2 secs Computing kpt #: 210 total cpu time spent up to now is 963.5 secs Computing kpt #: 211 total cpu time spent up to now is 968.6 secs Computing kpt #: 212 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 976.7 secs Computing kpt #: 213 total cpu time spent up to now is 980.7 secs Computing kpt #: 214 total cpu time spent up to now is 986.4 secs Computing kpt #: 215 total cpu time spent up to now is 990.4 secs Computing kpt #: 216 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 998.4 secs Computing kpt #: 217 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1006.4 secs Computing kpt #: 218 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1014.3 secs Computing kpt #: 219 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1022.3 secs Computing kpt #: 220 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1030.3 secs Computing kpt #: 221 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1038.2 secs Computing kpt #: 222 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1046.2 secs Computing kpt #: 223 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1054.1 secs Computing kpt #: 224 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1062.0 secs Computing kpt #: 225 total cpu time spent up to now is 1065.7 secs Computing kpt #: 226 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1073.7 secs Computing kpt #: 227 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1081.6 secs Computing kpt #: 228 total cpu time spent up to now is 1085.4 secs Computing kpt #: 229 total cpu time spent up to now is 1089.2 secs Computing kpt #: 230 total cpu time spent up to now is 1093.0 secs Computing kpt #: 231 total cpu time spent up to now is 1097.0 secs Computing kpt #: 232 total cpu time spent up to now is 1100.7 secs Computing kpt #: 233 total cpu time spent up to now is 1107.8 secs Computing kpt #: 234 total cpu time spent up to now is 1111.4 secs Computing kpt #: 235 total cpu time spent up to now is 1115.1 secs Computing kpt #: 236 total cpu time spent up to now is 1118.6 secs Computing kpt #: 237 total cpu time spent up to now is 1122.1 secs Computing kpt #: 238 total cpu time spent up to now is 1125.6 secs Computing kpt #: 239 total cpu time spent up to now is 1129.0 secs Computing kpt #: 240 total cpu time spent up to now is 1132.4 secs Computing kpt #: 241 total cpu time spent up to now is 1135.8 secs Computing kpt #: 242 total cpu time spent up to now is 1139.3 secs Computing kpt #: 243 total cpu time spent up to now is 1142.9 secs Computing kpt #: 244 total cpu time spent up to now is 1146.2 secs Computing kpt #: 245 total cpu time spent up to now is 1149.7 secs Computing kpt #: 246 total cpu time spent up to now is 1153.1 secs Computing kpt #: 247 total cpu time spent up to now is 1156.5 secs Computing kpt #: 248 total cpu time spent up to now is 1159.8 secs Computing kpt #: 249 total cpu time spent up to now is 1163.1 secs Computing kpt #: 250 total cpu time spent up to now is 1166.4 secs Computing kpt #: 251 total cpu time spent up to now is 1169.9 secs Computing kpt #: 252 total cpu time spent up to now is 1173.3 secs Computing kpt #: 253 total cpu time spent up to now is 1176.7 secs Computing kpt #: 254 total cpu time spent up to now is 1180.1 secs Computing kpt #: 255 total cpu time spent up to now is 1183.6 secs Computing kpt #: 256 total cpu time spent up to now is 1187.2 secs Computing kpt #: 257 total cpu time spent up to now is 1192.8 secs Computing kpt #: 258 total cpu time spent up to now is 1198.5 secs ethr = 1.61E-11, avg # of iterations = 46.7 total cpu time spent up to now is 1198.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4555 PWs) bands (ev): -14.8057 -14.8057 -13.8209 -13.8209 -10.1767 -10.1767 -9.9303 -9.9303 -8.9609 -8.9609 -8.8075 -8.8075 -3.6242 -3.6242 -0.0621 -0.0621 1.0789 1.0789 1.4493 1.4493 1.5171 1.5171 2.6283 2.6283 3.0495 3.0495 3.1046 3.1046 4.5646 4.5646 4.6570 4.6570 5.4117 5.4117 5.7952 5.7952 5.8663 5.8663 6.0192 6.0192 6.4325 6.4325 6.4584 6.4584 6.5908 6.5908 6.6064 6.6064 7.1001 7.1001 7.7260 7.7260 8.0156 8.0156 8.0431 8.0431 8.1781 8.1781 8.2063 8.2063 8.3407 8.3407 8.3494 8.3494 8.3857 8.3857 8.5031 8.5031 8.5544 8.5544 9.0320 9.0320 10.7347 10.7347 k = 0.0143-0.0085-0.0060 ( 4570 PWs) bands (ev): -14.8063 -14.8042 -13.8234 -13.8194 -10.1803 -10.1721 -9.9300 -9.9298 -8.9652 -8.9583 -8.8084 -8.8081 -3.6240 -3.6213 -0.0643 -0.0585 1.0582 1.0845 1.4143 1.4236 1.5564 1.5580 2.6275 2.6298 3.0496 3.0501 3.1044 3.1054 4.5618 4.5651 4.6559 4.6561 5.3959 5.4220 5.7914 5.7921 5.8599 5.8726 6.0036 6.0122 6.4296 6.4417 6.4630 6.4656 6.5891 6.5908 6.6056 6.6063 7.1013 7.1031 7.7244 7.7315 8.0156 8.0165 8.0432 8.0440 8.1781 8.1790 8.2060 8.2073 8.3398 8.3414 8.3476 8.3513 8.3856 8.3860 8.5024 8.5037 8.5530 8.5558 9.0252 9.0416 10.7348 10.7356 k = 0.0286-0.0169-0.0119 ( 4568 PWs) bands (ev): -14.8060 -14.8017 -13.8269 -13.8191 -10.1831 -10.1667 -9.9289 -9.9284 -8.9712 -8.9573 -8.8108 -8.8101 -3.6207 -3.6153 -0.0653 -0.0537 1.0226 1.0740 1.3719 1.3904 1.6236 1.6257 2.6274 2.6321 3.0501 3.0514 3.1050 3.1069 4.5565 4.5631 4.6528 4.6532 5.3749 5.4264 5.7812 5.7821 5.8533 5.8786 5.9696 5.9841 6.4337 6.4462 6.4774 6.4916 6.5837 6.5874 6.6059 6.6078 7.1067 7.1106 7.7267 7.7408 8.0165 8.0184 8.0446 8.0460 8.1790 8.1810 8.2067 8.2092 8.3387 8.3418 8.3463 8.3533 8.3858 8.3865 8.5017 8.5043 8.5516 8.5574 9.0213 9.0539 10.7360 10.7376 k = 0.0429-0.0254-0.0179 ( 4572 PWs) bands (ev): -14.8048 -14.7983 -13.8316 -13.8198 -10.1850 -10.1604 -9.9269 -9.9261 -8.9788 -8.9580 -8.8147 -8.8136 -3.6143 -3.6063 -0.0655 -0.0478 0.9739 1.0470 1.3431 1.3693 1.6983 1.6988 2.6280 2.6350 3.0510 3.0531 3.1066 3.1093 4.5489 4.5586 4.6477 4.6484 5.3489 5.4247 5.7655 5.7656 5.8457 5.8838 5.9235 5.9408 6.4384 6.4484 6.5019 6.5272 6.5729 6.5782 6.6105 6.6130 7.1163 7.1228 7.7329 7.7535 8.0183 8.0211 8.0472 8.0489 8.1807 8.1838 8.2086 8.2118 8.3375 8.3416 8.3457 8.3553 8.3863 8.3874 8.5009 8.5049 8.5503 8.5589 9.0202 9.0690 10.7382 10.7407 k = 0.0571-0.0339-0.0238 ( 4570 PWs) bands (ev): -14.8027 -14.7940 -13.8372 -13.8216 -10.1859 -10.1532 -9.9241 -9.9229 -8.9880 -8.9603 -8.8200 -8.8185 -3.6049 -3.5942 -0.0654 -0.0412 0.9158 1.0059 1.3301 1.3603 1.7741 1.7767 2.6293 2.6387 3.0520 3.0552 3.1094 3.1127 4.5389 4.5517 4.6406 4.6416 5.3182 5.4164 5.7420 5.7453 5.8355 5.8703 5.8880 5.8893 6.4422 6.4506 6.5309 6.5585 6.5612 6.5664 6.6197 6.6221 7.1304 7.1404 7.7427 7.7691 8.0211 8.0245 8.0513 8.0528 8.1830 8.1873 8.2119 8.2152 8.3362 8.3410 8.3459 8.3573 8.3873 8.3885 8.5001 8.5054 8.5490 8.5604 9.0220 9.0867 10.7417 10.7449 k = 0.0714-0.0423-0.0298 ( 4565 PWs) bands (ev): -14.7996 -14.7889 -13.8439 -13.8245 -10.1859 -10.1452 -9.9204 -9.9189 -8.9988 -8.9642 -8.8267 -8.8248 -3.5924 -3.5792 -0.0658 -0.0348 0.8528 0.9561 1.3297 1.3612 1.8502 1.8569 2.6312 2.6430 3.0527 3.0575 3.1139 3.1174 4.5265 4.5422 4.6315 4.6328 5.2829 5.4012 5.7110 5.7208 5.8130 5.8151 5.8434 5.8903 6.4454 6.4531 6.5368 6.5463 6.5634 6.5942 6.6354 6.6355 7.1493 7.1636 7.7556 7.7870 8.0245 8.0284 8.0569 8.0574 8.1856 8.1913 8.2169 8.2193 8.3348 8.3401 8.3468 8.3593 8.3888 8.3900 8.4991 8.5058 8.5478 8.5618 9.0265 9.1069 10.7463 10.7503 k = 0.0857-0.0508-0.0357 ( 4563 PWs) bands (ev): -14.7956 -14.7828 -13.8515 -13.8285 -10.1849 -10.1363 -9.9159 -9.9140 -9.0111 -8.9698 -8.8349 -8.8325 -3.5768 -3.5611 -0.0678 -0.0297 0.7888 0.9032 1.3385 1.3697 1.9263 1.9378 2.6336 2.6480 3.0529 3.0596 3.1202 3.1238 4.5118 4.5302 4.6204 4.6222 5.2432 5.3788 5.6711 5.6918 5.7606 5.7611 5.8241 5.8911 6.4480 6.4557 6.5180 6.5270 6.5867 6.6137 6.6533 6.6597 7.1729 7.1926 7.7712 7.8069 8.0287 8.0327 8.0629 8.0642 8.1882 8.1957 8.2235 8.2239 8.3333 8.3393 8.3484 8.3614 8.3910 8.3918 8.4979 8.5061 8.5466 8.5630 9.0338 9.1294 10.7521 10.7570 k = 0.1000-0.0592-0.0417 ( 4560 PWs) bands (ev): -14.7908 -14.7758 -13.8602 -13.8336 -10.1830 -10.1266 -9.9105 -9.9083 -9.0250 -8.9768 -8.8445 -8.8416 -3.5583 -3.5400 -0.0727 -0.0277 0.7276 0.8518 1.3538 1.3842 2.0019 2.0187 2.6366 2.6535 3.0527 3.0616 3.1284 3.1320 4.4948 4.5155 4.6074 4.6097 5.1993 5.3493 5.6215 5.6573 5.7019 5.7109 5.8108 5.8899 6.4492 6.4576 6.4992 6.5076 6.6048 6.6267 6.6748 6.6862 7.2013 7.2273 7.7890 7.8282 8.0334 8.0373 8.0690 8.0731 8.1910 8.2002 8.2288 8.2315 8.3318 8.3386 8.3508 8.3638 8.3938 8.3941 8.4966 8.5064 8.5454 8.5639 9.0435 9.1541 10.7593 10.7650 k = 0.1143-0.0677-0.0476 ( 4553 PWs) bands (ev): -14.7851 -14.7679 -13.8697 -13.8396 -10.1802 -10.1161 -9.9044 -9.9017 -9.0403 -8.9854 -8.8555 -8.8520 -3.5368 -3.5161 -0.0821 -0.0311 0.6727 0.8051 1.3742 1.4036 2.0765 2.0989 2.6400 2.6595 3.0520 3.0633 3.1386 3.1421 4.4753 4.4981 4.5923 4.5953 5.1516 5.3127 5.5640 5.6136 5.6480 5.6641 5.7975 5.8867 6.4455 6.4556 6.4854 6.4921 6.6186 6.6374 6.6971 6.7104 7.2343 7.2672 7.8085 7.8506 8.0387 8.0422 8.0757 8.0834 8.1939 8.2050 8.2337 8.2406 8.3302 8.3379 8.3543 8.3670 8.3962 8.3983 8.4949 8.5067 8.5443 8.5644 9.0556 9.1807 10.7678 10.7743 k = 0.1286-0.0762-0.0536 ( 4549 PWs) bands (ev): -14.7785 -14.7592 -13.8802 -13.8468 -10.1764 -10.1048 -9.8974 -9.8942 -9.0571 -8.9955 -8.8678 -8.8636 -3.5123 -3.4892 -0.0977 -0.0426 0.6277 0.7660 1.3988 1.4274 2.1500 2.1782 2.6437 2.6659 3.0509 3.0649 3.1506 3.1541 4.4536 4.4780 4.5753 4.5791 5.1002 5.2695 5.5016 5.5593 5.6016 5.6185 5.7834 5.8811 6.4334 6.4443 6.4813 6.4866 6.6295 6.6467 6.7181 6.7309 7.2712 7.3113 7.8293 7.8734 8.0445 8.0473 8.0829 8.0951 8.1971 8.2098 8.2383 8.2502 8.3286 8.3371 8.3589 8.3715 8.3989 8.4042 8.4930 8.5070 8.5432 8.5644 9.0698 9.2089 10.7778 10.7851 k = 0.1429-0.0846-0.0596 ( 4548 PWs) bands (ev): -14.7710 -14.7496 -13.8917 -13.8550 -10.1716 -10.0926 -9.8896 -9.8859 -9.0752 -9.0070 -8.8813 -8.8765 -3.4849 -3.4595 -0.1210 -0.0649 0.5957 0.7367 1.4271 1.4551 2.2218 2.2560 2.6477 2.6726 3.0497 3.0665 3.1644 3.1678 4.4296 4.4551 4.5563 4.5610 5.0455 5.2204 5.4370 5.5010 5.5567 5.5726 5.7683 5.8730 6.4168 6.4266 6.4838 6.4891 6.6384 6.6549 6.7367 6.7478 7.3114 7.3586 7.8508 7.8964 8.0506 8.0528 8.0905 8.1078 8.2007 8.2148 8.2421 8.2595 8.3270 8.3363 8.3643 8.3779 8.4019 8.4123 8.4910 8.5076 8.5423 8.5638 9.0857 9.2383 10.7893 10.7973 k = 0.1571-0.0931-0.0655 ( 4542 PWs) bands (ev): -14.7627 -14.7392 -13.9039 -13.8642 -10.1658 -10.0797 -9.8810 -9.8767 -9.0945 -9.0198 -8.8961 -8.8906 -3.4547 -3.4271 -0.1531 -0.0996 0.5789 0.7186 1.4587 1.4862 2.2919 2.3321 2.6518 2.6794 3.0486 3.0682 3.1798 3.1833 4.4033 4.4294 4.5354 4.5412 4.9880 5.1664 5.3715 5.4424 5.5101 5.5258 5.7522 5.8623 6.3999 6.4079 6.4892 6.4948 6.6456 6.6618 6.7529 6.7617 7.3540 7.4080 7.8726 7.9193 8.0572 8.0587 8.0983 8.1213 8.2048 8.2198 8.2451 8.2678 8.3254 8.3356 8.3702 8.3865 8.4054 8.4233 8.4889 8.5085 8.5415 8.5627 9.1030 9.2686 10.8024 10.8111 k = 0.1714-0.1016-0.0715 ( 4550 PWs) bands (ev): -14.7535 -14.7280 -13.9171 -13.8744 -10.1591 -10.0660 -9.8716 -9.8666 -9.1151 -9.0340 -8.9121 -8.9058 -3.4217 -3.3919 -0.1944 -0.1468 0.5773 0.7123 1.4934 1.5207 2.3598 2.4062 2.6560 2.6863 3.0476 3.0703 3.1967 3.2003 4.3749 4.4008 4.5127 4.5196 4.9281 5.1084 5.3058 5.3844 5.4611 5.4780 5.7348 5.8487 6.3843 6.3902 6.4960 6.5020 6.6513 6.6673 6.7667 6.7732 7.3983 7.4583 7.8942 7.9417 8.0640 8.0649 8.1062 8.1352 8.2095 8.2248 8.2474 8.2745 8.3236 8.3348 8.3760 8.3962 8.4110 8.4373 8.4871 8.5098 8.5412 8.5609 9.1213 9.2995 10.8171 10.8264 k = 0.1857-0.1100-0.0774 ( 4548 PWs) bands (ev): -14.7435 -14.7160 -13.9310 -13.8855 -10.1513 -10.0516 -9.8614 -9.8557 -9.1368 -9.0494 -8.9292 -8.9220 -3.3859 -3.3540 -0.2444 -0.2049 0.5896 0.7174 1.5309 1.5582 2.4255 2.4780 2.6601 2.6932 3.0469 3.0729 3.2148 3.2185 4.3444 4.3693 4.4880 4.4961 4.8664 5.0475 5.2403 5.3269 5.4101 5.4294 5.7161 5.8323 6.3708 6.3743 6.5039 6.5103 6.6556 6.6713 6.7784 6.7830 7.4435 7.5088 7.9154 7.9634 8.0713 8.0716 8.1141 8.1492 8.2148 8.2293 8.2495 8.2797 8.3219 8.3343 8.3815 8.4031 8.4228 8.4528 8.4869 8.5119 8.5420 8.5587 9.1403 9.3306 10.8334 10.8434 k = 0.2000-0.1185-0.0834 ( 4550 PWs) bands (ev): -14.7327 -14.7032 -13.9457 -13.8977 -10.1426 -10.0363 -9.8504 -9.8440 -9.1596 -9.0660 -8.9474 -8.9394 -3.3474 -3.3136 -0.3022 -0.2717 0.6138 0.7331 1.5712 1.5985 2.4886 2.5472 2.6641 2.6997 3.0468 3.0761 3.2339 3.2379 4.3119 4.3350 4.4616 4.4709 4.8036 4.9848 5.1754 5.2695 5.3577 5.3806 5.6960 5.8128 6.3597 6.3609 6.5126 6.5193 6.6583 6.6735 6.7885 6.7914 7.4889 7.5586 7.9356 7.9839 8.0788 8.0790 8.1219 8.1629 8.2208 8.2328 8.2522 8.2834 8.3201 8.3340 8.3866 8.4066 8.4408 8.4645 8.4926 8.5150 8.5451 8.5560 9.1596 9.3614 10.8514 10.8619 k = 0.2143-0.1270-0.0893 ( 4556 PWs) bands (ev): -14.7211 -14.6896 -13.9611 -13.9107 -10.1328 -10.0204 -9.8386 -9.8314 -9.1834 -9.0837 -8.9665 -8.9576 -3.3063 -3.2706 -0.3664 -0.3451 0.6475 0.7580 1.6139 1.6416 2.5485 2.6134 2.6683 2.7060 3.0473 3.0801 3.2539 3.2580 4.2777 4.2980 4.4335 4.4437 4.7402 4.9211 5.1109 5.2117 5.3052 5.3322 5.6744 5.7905 6.3499 6.3509 6.5219 6.5290 6.6595 6.6740 6.7972 6.7987 7.5340 7.6071 7.9545 8.0030 8.0865 8.0868 8.1294 8.1760 8.2272 8.2346 8.2564 8.2864 8.3184 8.3339 8.3915 8.4086 8.4620 8.4674 8.5055 8.5195 8.5531 8.5542 9.1787 9.3916 10.8710 10.8820 k = 0.2286-0.1354-0.0953 ( 4562 PWs) bands (ev): -14.7088 -14.6752 -13.9773 -13.9246 -10.1221 -10.0037 -9.8260 -9.8181 -9.2081 -9.1025 -8.9866 -8.9768 -3.2626 -3.2251 -0.4358 -0.4232 0.6891 0.7911 1.6589 1.6871 2.6037 2.6738 2.6751 2.7131 3.0487 3.0849 3.2743 3.2785 4.2420 4.2583 4.4039 4.4145 4.6772 4.8572 5.0470 5.1529 5.2538 5.2846 5.6513 5.7655 6.3414 6.3445 6.5318 6.5393 6.6592 6.6727 6.8046 6.8053 7.5783 7.6538 7.9718 8.0203 8.0948 8.0949 8.1367 8.1880 8.2340 8.2348 8.2624 8.2891 8.3170 8.3342 8.3960 8.4098 8.4662 8.4835 8.5156 8.5265 8.5508 8.5745 9.1974 9.4209 10.8923 10.9037 k = 0.2429-0.1439-0.1013 ( 4559 PWs) bands (ev): -14.6957 -14.6602 -13.9941 -13.9393 -10.1104 -9.9863 -9.8127 -9.8039 -9.2336 -9.1223 -9.0076 -8.9969 -3.2164 -3.1773 -0.5094 -0.5046 0.7372 0.8310 1.7061 1.7350 2.6459 2.6889 2.7100 2.7429 3.0509 3.0906 3.2949 3.2990 4.2051 4.2162 4.3727 4.3833 4.6153 4.7938 4.9836 5.0925 5.2046 5.2387 5.6266 5.7379 6.3354 6.3402 6.5423 6.5501 6.6576 6.6699 6.8109 6.8111 7.6215 7.6984 7.9874 8.0357 8.1032 8.1038 8.1436 8.1986 8.2340 8.2408 8.2698 8.2921 8.3162 8.3350 8.4001 8.4105 8.4639 8.5013 8.5206 8.5350 8.5536 8.6054 9.2152 9.4488 10.9151 10.9268 k = 0.2571-0.1524-0.1072 ( 4561 PWs) bands (ev): -14.6819 -14.6444 -14.0115 -13.9549 -10.0977 -9.9682 -9.7986 -9.7890 -9.2598 -9.1430 -9.0293 -9.0177 -3.1677 -3.1270 -0.5884 -0.5861 0.7905 0.8767 1.7552 1.7851 2.6603 2.7153 2.7278 2.7975 3.0541 3.0971 3.3152 3.3189 4.1673 4.1719 4.3403 4.3501 4.5553 4.7315 4.9207 5.0305 5.1585 5.1949 5.6005 5.7080 6.3318 6.3379 6.5531 6.5614 6.6546 6.6655 6.8162 6.8163 7.6631 7.7406 8.0011 8.0492 8.1113 8.1132 8.1502 8.2071 8.2331 8.2470 8.2783 8.2954 8.3168 8.3362 8.4040 8.4106 8.4614 8.5129 8.5234 8.5362 8.5722 8.6429 9.2319 9.4750 10.9394 10.9513 k = 0.2714-0.1608-0.1132 ( 4557 PWs) bands (ev): -14.6674 -14.6280 -14.0296 -13.9712 -10.0840 -9.9494 -9.7837 -9.7732 -9.2867 -9.1645 -9.0518 -9.0392 -3.1167 -3.0745 -0.6739 -0.6652 0.8485 0.9275 1.8060 1.8371 2.6626 2.7171 2.7747 2.8505 3.0585 3.1045 3.3346 3.3375 4.1261 4.1293 4.3070 4.3149 4.4979 4.6707 4.8585 4.9670 5.1160 5.1539 5.5730 5.6761 6.3302 6.3376 6.5643 6.5730 6.6505 6.6598 6.8206 6.8206 7.7029 7.7802 8.0130 8.0608 8.1192 8.1226 8.1563 8.2129 8.2330 8.2523 8.2873 8.2983 8.3200 8.3380 8.4075 8.4105 8.4590 8.5197 8.5257 8.5344 8.6008 8.6850 9.2473 9.4992 10.9650 10.9771 k = 0.2857-0.1693-0.1191 ( 4556 PWs) bands (ev): -14.6522 -14.6109 -14.0481 -13.9883 -10.0694 -9.9300 -9.7681 -9.7568 -9.3141 -9.1868 -9.0749 -9.0614 -3.0634 -3.0199 -0.7604 -0.7462 0.9104 0.9827 1.8581 1.8908 2.6612 2.7168 2.8208 2.8999 3.0642 3.1126 3.3527 3.3541 4.0792 4.0914 4.2729 4.2780 4.4436 4.6118 4.7969 4.9027 5.0775 5.1162 5.5441 5.6423 6.3306 6.3389 6.5757 6.5850 6.6453 6.6528 6.8240 6.8242 7.7406 7.8172 8.0233 8.0708 8.1266 8.1318 8.1619 8.2155 8.2346 8.2565 8.2964 8.3000 8.3266 8.3405 8.4103 8.4106 8.4570 8.5215 8.5281 8.5354 8.6335 8.7304 9.2609 9.5210 10.9919 11.0040 k = 0.3000-0.1777-0.1251 ( 4553 PWs) bands (ev): -14.6363 -14.5933 -14.0672 -14.0060 -10.0538 -9.9099 -9.7518 -9.7396 -9.3420 -9.2099 -9.0985 -9.0843 -3.0079 -2.9631 -0.8476 -0.8284 0.9758 1.0416 1.9112 1.9459 2.6574 2.7143 2.8646 2.9448 3.0715 3.1213 3.3676 3.3687 4.0324 4.0545 4.2386 4.2399 4.3926 4.5552 4.7363 4.8382 5.0432 5.0823 5.5140 5.6070 6.3328 6.3418 6.5871 6.5973 6.6393 6.6447 6.8264 6.8269 7.7762 7.8516 8.0320 8.0797 8.1335 8.1402 8.1670 8.2152 8.2376 8.2598 8.3007 8.3047 8.3359 8.3438 8.4103 8.4135 8.4555 8.5187 8.5310 8.5400 8.6684 8.7785 9.2726 9.5403 11.0198 11.0320 k = 0.3143-0.1862-0.1310 ( 4550 PWs) bands (ev): -14.6199 -14.5750 -14.0867 -14.0244 -10.0372 -9.8892 -9.7348 -9.7217 -9.3703 -9.2335 -9.1227 -9.1076 -2.9502 -2.9042 -0.9351 -0.9116 1.0442 1.1037 1.9648 2.0022 2.6512 2.7096 2.9057 2.9846 3.0811 3.1304 3.3771 3.3819 3.9868 4.0192 4.2012 4.2044 4.3448 4.5011 4.6770 4.7740 5.0131 5.0525 5.4827 5.5705 6.3366 6.3460 6.5980 6.6097 6.6332 6.6357 6.8278 6.8288 7.8093 7.8835 8.0394 8.0876 8.1398 8.1476 8.1714 8.2136 8.2411 8.2627 8.3012 8.3115 8.3461 8.3479 8.4110 8.4164 8.4548 8.5145 8.5344 8.5459 8.7049 8.8286 9.2822 9.5568 11.0487 11.0608 k = 0.3286-0.1947-0.1370 ( 4548 PWs) bands (ev): -14.6028 -14.5562 -14.1067 -14.0434 -10.0197 -9.8679 -9.7171 -9.7032 -9.3989 -9.2578 -9.1473 -9.1314 -2.8904 -2.8435 -1.0228 -0.9954 1.1152 1.1687 2.0183 2.0590 2.6427 2.7027 2.9438 3.0177 3.0938 3.1397 3.3814 3.3918 3.9438 3.9863 4.1628 4.1710 4.3000 4.4499 4.6193 4.7108 4.9876 5.0271 5.4504 5.5329 6.3417 6.3516 6.6060 6.6211 6.6269 6.6291 6.8282 6.8298 7.8399 7.9128 8.0456 8.0948 8.1457 8.1539 8.1751 8.2113 8.2445 8.2653 8.3020 8.3164 8.3523 8.3556 8.4131 8.4192 8.4553 8.5101 8.5382 8.5518 8.7424 8.8803 9.2895 9.5701 11.0782 11.0902 k = 0.3429-0.2031-0.1429 ( 4554 PWs) bands (ev): -14.5852 -14.5369 -14.1271 -14.0629 -10.0013 -9.8461 -9.6987 -9.6841 -9.4277 -9.2825 -9.1723 -9.1557 -2.8286 -2.7808 -1.1105 -1.0797 1.1885 1.2360 2.0707 2.1158 2.6316 2.6938 2.9786 3.0426 3.1106 3.1489 3.3798 3.3980 3.9049 3.9564 4.1254 4.1389 4.2581 4.4017 4.5636 4.6490 4.9668 5.0063 5.4172 5.4945 6.3481 6.3582 6.6055 6.6143 6.6329 6.6357 6.8277 6.8298 7.8680 7.9397 8.0506 8.1014 8.1510 8.1588 8.1781 8.2088 8.2477 8.2680 8.3031 8.3193 8.3567 8.3627 8.4171 8.4216 8.4578 8.5062 8.5423 8.5576 8.7805 8.9329 9.2943 9.5802 11.1082 11.1200 k = 0.3571-0.2116-0.1489 ( 4550 PWs) bands (ev): -14.5671 -14.5171 -14.1477 -14.0830 -9.9820 -9.8237 -9.6797 -9.6644 -9.4565 -9.3076 -9.1975 -9.1802 -2.7649 -2.7163 -1.1979 -1.1641 1.2638 1.3053 2.1208 2.1716 2.6183 2.6835 3.0097 3.0597 3.1306 3.1578 3.3720 3.4001 3.8710 3.9304 4.0894 4.1086 4.2195 4.3568 4.5102 4.5891 4.9508 4.9904 5.3833 5.4555 6.3557 6.3659 6.5982 6.6030 6.6429 6.6485 6.8261 6.8288 7.8935 7.9644 8.0545 8.1076 8.1560 8.1626 8.1805 8.2063 8.2507 8.2707 8.3050 8.3206 8.3606 8.3669 8.4228 8.4229 8.4629 8.5035 8.5464 8.5629 8.8191 8.9860 9.2966 9.5868 11.1384 11.1500 k = 0.3714-0.2201-0.1549 ( 4546 PWs) bands (ev): -14.5484 -14.4968 -14.1687 -14.1035 -9.9618 -9.8007 -9.6601 -9.6443 -9.4852 -9.3331 -9.2230 -9.2051 -2.6994 -2.6501 -1.2850 -1.2485 1.3408 1.3762 2.1665 2.2246 2.6037 2.6732 3.0362 3.0707 3.1512 3.1660 3.3585 3.3983 3.8427 3.9086 4.0548 4.0807 4.1849 4.3155 4.4595 4.5317 4.9399 4.9794 5.3488 5.4162 6.3642 6.3745 6.5886 6.5911 6.6547 6.6613 6.8236 6.8268 7.9165 7.9870 8.0574 8.1133 8.1605 8.1652 8.1824 8.2038 8.2537 8.2737 8.3074 8.3204 8.3640 8.3686 8.4228 8.4285 8.4705 8.5027 8.5504 8.5678 8.8579 9.0390 9.2961 9.5899 11.1685 11.1799 k = 0.3857-0.2285-0.1608 ( 4545 PWs) bands (ev): -14.5293 -14.4762 -14.1899 -14.1245 -9.9408 -9.7773 -9.6399 -9.6243 -9.5133 -9.3587 -9.2486 -9.2302 -2.6321 -2.5822 -1.3716 -1.3327 1.4190 1.4484 2.2050 2.2715 2.5902 2.6654 3.0568 3.0769 3.1701 3.1737 3.3412 3.3930 3.8200 3.8915 4.0214 4.0554 4.1553 4.2782 4.4117 4.4769 4.9340 4.9735 5.3139 5.3767 6.3736 6.3839 6.5779 6.5786 6.6670 6.6741 6.8201 6.8238 7.9371 8.0075 8.0592 8.1184 8.1645 8.1668 8.1838 8.2014 8.2566 8.2769 8.3103 8.3189 8.3671 8.3689 8.4216 8.4323 8.4800 8.5049 8.5540 8.5718 8.8964 9.0916 9.2930 9.5893 11.1983 11.2094 k = 0.4000-0.2370-0.1668 ( 4547 PWs) bands (ev): -14.5097 -14.4551 -14.2114 -14.1458 -9.9190 -9.7535 -9.6193 -9.6055 -9.5396 -9.3845 -9.2743 -9.2555 -2.5631 -2.5128 -1.4577 -1.4167 1.4983 1.5215 2.2323 2.3064 2.5832 2.6634 3.0688 3.0783 3.1814 3.1865 3.3225 3.3850 3.8025 3.8793 3.9886 4.0330 4.1319 4.2451 4.3669 4.4253 4.9332 4.9726 5.2788 5.3375 6.3838 6.3940 6.5657 6.5664 6.6794 6.6868 6.8156 6.8199 7.9554 8.0262 8.0600 8.1229 8.1675 8.1680 8.1848 8.1991 8.2596 8.2805 8.3134 8.3164 8.3685 8.3701 8.4194 8.4331 8.4904 8.5101 8.5569 8.5751 8.9346 9.1432 9.2870 9.5849 11.2274 11.2382 k = 0.4143-0.2455-0.1727 ( 4542 PWs) bands (ev): -14.4897 -14.4337 -14.2330 -14.1674 -9.8963 -9.7292 -9.5983 -9.5960 -9.5559 -9.4103 -9.2999 -9.2808 -2.4924 -2.4418 -1.5432 -1.5003 1.5782 1.5951 2.2445 2.3210 2.5903 2.6711 3.0695 3.0737 3.1904 3.2009 3.3053 3.3748 3.7894 3.8722 3.9562 4.0132 4.1154 4.2169 4.3253 4.3771 4.9373 4.9765 5.2438 5.2986 6.3948 6.4047 6.5525 6.5545 6.6918 6.6994 6.8102 6.8150 7.9717 8.0430 8.0597 8.1264 8.1679 8.1711 8.1855 8.1969 8.2627 8.2843 8.3130 8.3163 8.3685 8.3732 8.4167 8.4310 8.5011 8.5178 8.5592 8.5774 8.9720 9.1935 9.2782 9.5767 11.2556 11.2660 k = 0.4286-0.2539-0.1787 ( 4536 PWs) bands (ev): -14.4694 -14.4121 -14.2547 -14.1893 -9.8729 -9.7046 -9.6115 -9.5773 -9.5466 -9.4357 -9.3255 -9.3063 -2.4202 -2.3694 -1.6279 -1.5834 1.6582 1.6687 2.2392 2.3106 2.6159 2.6908 3.0571 3.0618 3.2011 3.2143 3.2916 3.3631 3.7807 3.8701 3.9245 3.9955 4.1060 4.1941 4.2869 4.3326 4.9462 4.9852 5.2089 5.2603 6.4063 6.4160 6.5390 6.5422 6.7041 6.7117 6.8039 6.8092 7.9861 8.0581 8.0585 8.1286 8.1683 8.1738 8.1859 8.1947 8.2660 8.2885 8.3090 8.3185 8.3693 8.3765 8.4136 8.4268 8.5115 8.5268 8.5606 8.5786 9.0084 9.2419 9.2665 9.5645 11.2824 11.2924 k = 0.4429-0.2624-0.1846 ( 4534 PWs) bands (ev): -14.4488 -14.3902 -14.2765 -14.2114 -9.8488 -9.6796 -9.6371 -9.5570 -9.5265 -9.4599 -9.3510 -9.3317 -2.3465 -2.2957 -1.7119 -1.6660 1.7381 1.7419 2.2170 2.2790 2.6562 2.7215 3.0325 3.0419 3.2129 3.2277 3.2815 3.3502 3.7761 3.8727 3.8942 3.9793 4.1032 4.1775 4.2517 4.2923 4.9594 4.9984 5.1746 5.2230 6.4184 6.4278 6.5254 6.5296 6.7161 6.7238 6.7968 6.8025 7.9988 8.0560 8.0718 8.1291 8.1692 8.1761 8.1860 8.1923 8.2694 8.2929 8.3046 8.3194 8.3714 8.3800 8.4102 8.4212 8.5214 8.5361 8.5610 8.5788 9.0435 9.2520 9.2883 9.5485 11.3075 11.3171 k = 0.4571-0.2709-0.1906 ( 4535 PWs) bands (ev): -14.4278 -14.3681 -14.2984 -14.2336 -9.8240 -9.6643 -9.6544 -9.5405 -9.5040 -9.4798 -9.3762 -9.3570 -2.2714 -2.2207 -1.7949 -1.7479 1.8142 1.8171 2.1808 2.2325 2.7046 2.7605 2.9984 3.0142 3.2248 3.2420 3.2740 3.3361 3.7758 3.8661 3.8795 3.9637 4.1063 4.1677 4.2199 4.2566 4.9768 5.0158 5.1411 5.1869 6.4309 6.4399 6.5116 6.5168 6.7279 6.7355 6.7888 6.7950 8.0100 8.0525 8.0839 8.1275 8.1710 8.1782 8.1857 8.1896 8.2731 8.2974 8.2999 8.3189 8.3751 8.3836 8.4066 8.4147 8.5303 8.5451 8.5602 8.5777 9.0771 9.2346 9.3321 9.5285 11.3307 11.3396 k = 0.4714-0.2793-0.1966 ( 4531 PWs) bands (ev): -14.4066 -14.3458 -14.3202 -14.2560 -9.7986 -9.6918 -9.6291 -9.5388 -9.4845 -9.4806 -9.4011 -9.3822 -2.1950 -2.1445 -1.8771 -1.8290 1.8848 1.8949 2.1339 2.1760 2.7566 2.8045 2.9572 2.9797 3.2358 3.2571 3.2676 3.3211 3.7799 3.8409 3.8899 3.9483 4.1147 4.1651 4.1914 4.2259 4.9977 5.0370 5.1087 5.1524 6.4438 6.4524 6.4979 6.5039 6.7394 6.7468 6.7802 6.7867 8.0198 8.0481 8.0947 8.1241 8.1737 8.1800 8.1851 8.1867 8.2770 8.2951 8.3020 8.3171 8.3802 8.3874 8.4028 8.4077 8.5383 8.5534 8.5583 8.5753 9.1090 9.2145 9.3732 9.5047 11.3514 11.3597 k = 0.4857-0.2878-0.2025 ( 4528 PWs) bands (ev): -14.3853 -14.3420 -14.3234 -14.2785 -9.7726 -9.7191 -9.6038 -9.5558 -9.4701 -9.4565 -9.4254 -9.4073 -2.1172 -2.0671 -1.9582 -1.9093 1.9532 1.9706 2.0791 2.1123 2.8094 2.8505 2.9111 2.9399 3.2456 3.2612 3.2729 3.3053 3.7886 3.8194 3.9028 3.9328 4.1278 4.1664 4.1700 4.2009 5.0218 5.0617 5.0777 5.1198 6.4570 6.4651 6.4841 6.4909 6.7504 6.7577 6.7709 6.7776 8.0285 8.0426 8.1041 8.1189 8.1768 8.1816 8.1835 8.1842 8.2812 8.2904 8.3064 8.3142 8.3864 8.3912 8.3990 8.4005 8.5451 8.5552 8.5607 8.5717 9.1388 9.1918 9.4112 9.4771 11.3694 11.3770 k = 0.5000-0.2962-0.2085 ( 4524 PWs) bands (ev): -14.3637 -14.3637 -14.3010 -14.3010 -9.7461 -9.7461 -9.5790 -9.5790 -9.4488 -9.4488 -9.4321 -9.4321 -2.0383 -2.0383 -1.9887 -1.9887 2.0184 2.0184 2.0434 2.0434 2.8614 2.8614 2.8962 2.8962 3.2540 3.2540 3.2891 3.2891 3.8018 3.8018 3.9174 3.9174 4.1451 4.1451 4.1821 4.1821 5.0486 5.0486 5.0894 5.0894 6.4705 6.4705 6.4780 6.4780 6.7609 6.7609 6.7680 6.7680 8.0361 8.0361 8.1122 8.1122 8.1802 8.1802 8.1830 8.1830 8.2857 8.2857 8.3106 8.3106 8.3932 8.3932 8.3951 8.3951 8.5508 8.5508 8.5668 8.5668 9.1665 9.1665 9.4459 9.4459 11.3844 11.3844 k = 0.5000-0.2962-0.2085 ( 4524 PWs) bands (ev): -14.3637 -14.3637 -14.3010 -14.3010 -9.7461 -9.7461 -9.5790 -9.5790 -9.4488 -9.4488 -9.4321 -9.4321 -2.0383 -2.0383 -1.9887 -1.9887 2.0184 2.0184 2.0434 2.0434 2.8614 2.8614 2.8962 2.8962 3.2540 3.2540 3.2891 3.2891 3.8018 3.8018 3.9174 3.9174 4.1451 4.1451 4.1821 4.1821 5.0486 5.0486 5.0894 5.0894 6.4705 6.4705 6.4780 6.4780 6.7609 6.7609 6.7680 6.7680 8.0361 8.0361 8.1122 8.1122 8.1802 8.1802 8.1830 8.1830 8.2857 8.2857 8.3106 8.3106 8.3932 8.3932 8.3951 8.3951 8.5508 8.5508 8.5668 8.5668 9.1665 9.1665 9.4459 9.4459 11.3844 11.3845 k = 0.5000-0.2860-0.2231 ( 4534 PWs) bands (ev): -14.3636 -14.3636 -14.3009 -14.3009 -9.7480 -9.7480 -9.5802 -9.5802 -9.4545 -9.4545 -9.4237 -9.4237 -2.0368 -2.0368 -1.9873 -1.9873 2.0119 2.0119 2.0447 2.0447 2.8601 2.8601 2.8979 2.8979 3.2526 3.2526 3.2880 3.2880 3.8001 3.8001 3.9199 3.9199 4.1447 4.1447 4.1840 4.1840 5.0505 5.0505 5.0913 5.0913 6.4699 6.4699 6.4777 6.4777 6.7589 6.7589 6.7659 6.7659 8.0365 8.0365 8.1125 8.1125 8.1800 8.1802 8.1837 8.1838 8.2852 8.2854 8.3118 8.3120 8.3919 8.3922 8.3967 8.3970 8.5505 8.5505 8.5667 8.5668 9.1674 9.1674 9.4467 9.4467 11.3849 11.3850 k = 0.5000-0.2757-0.2377 ( 4538 PWs) bands (ev): -14.3633 -14.3633 -14.3007 -14.3007 -9.7537 -9.7537 -9.5842 -9.5842 -9.4611 -9.4611 -9.4090 -9.4090 -2.0325 -2.0325 -1.9830 -1.9830 1.9961 1.9961 2.0451 2.0451 2.8571 2.8571 2.9024 2.9024 3.2485 3.2485 3.2846 3.2846 3.7957 3.7957 3.9265 3.9265 4.1439 4.1439 4.1893 4.1893 5.0559 5.0559 5.0971 5.0971 6.4681 6.4681 6.4770 6.4770 6.7530 6.7530 6.7597 6.7597 8.0377 8.0378 8.1134 8.1135 8.1803 8.1805 8.1854 8.1856 8.2844 8.2847 8.3154 8.3156 8.3907 8.3911 8.3997 8.4000 8.5496 8.5497 8.5664 8.5665 9.1700 9.1700 9.4492 9.4492 11.3866 11.3867 k = 0.5000-0.2654-0.2523 ( 4540 PWs) bands (ev): -14.3627 -14.3627 -14.3004 -14.3004 -9.7626 -9.7626 -9.5916 -9.5916 -9.4636 -9.4636 -9.3928 -9.3928 -2.0252 -2.0252 -1.9759 -1.9759 1.9742 1.9742 2.0414 2.0414 2.8531 2.8531 2.9084 2.9084 3.2421 3.2421 3.2791 3.2791 3.7896 3.7897 3.9352 3.9352 4.1441 4.1441 4.1974 4.1974 5.0647 5.0648 5.1066 5.1066 6.4653 6.4653 6.4756 6.4757 6.7433 6.7433 6.7496 6.7496 8.0398 8.0400 8.1151 8.1152 8.1812 8.1814 8.1877 8.1880 8.2841 8.2843 8.3203 8.3206 8.3901 8.3905 8.4033 8.4036 8.5483 8.5485 8.5659 8.5661 9.1743 9.1743 9.4531 9.4531 11.3896 11.3897 k = 0.5000-0.2551-0.2669 ( 4536 PWs) bands (ev): -14.3620 -14.3620 -14.2999 -14.2999 -9.7740 -9.7739 -9.6028 -9.6028 -9.4613 -9.4613 -9.3761 -9.3761 -2.0151 -2.0151 -1.9661 -1.9661 1.9475 1.9475 2.0329 2.0329 2.8490 2.8490 2.9151 2.9151 3.2339 3.2339 3.2715 3.2715 3.7830 3.7830 3.9441 3.9441 4.1467 4.1467 4.2078 4.2079 5.0769 5.0769 5.1194 5.1194 6.4616 6.4616 6.4736 6.4736 6.7301 6.7302 6.7359 6.7359 8.0428 8.0430 8.1174 8.1175 8.1829 8.1831 8.1903 8.1906 8.2846 8.2849 8.3259 8.3262 8.3903 8.3906 8.4075 8.4078 8.5467 8.5469 8.5653 8.5655 9.1803 9.1803 9.4586 9.4586 11.3940 11.3941 k = 0.5000-0.2449-0.2815 ( 4538 PWs) bands (ev): -14.3610 -14.3610 -14.2994 -14.2994 -9.7872 -9.7872 -9.6172 -9.6171 -9.4550 -9.4550 -9.3593 -9.3592 -2.0022 -2.0022 -1.9535 -1.9535 1.9164 1.9164 2.0195 2.0195 2.8449 2.8450 2.9219 2.9219 3.2245 3.2245 3.2623 3.2623 3.7765 3.7765 3.9511 3.9512 4.1525 4.1525 4.2205 4.2205 5.0920 5.0920 5.1353 5.1353 6.4570 6.4571 6.4709 6.4709 6.7137 6.7137 6.7189 6.7190 8.0467 8.0468 8.1203 8.1205 8.1851 8.1854 8.1931 8.1935 8.2862 8.2866 8.3316 8.3319 8.3912 8.3915 8.4122 8.4125 8.5446 8.5448 8.5644 8.5647 9.1876 9.1877 9.4653 9.4653 11.3999 11.4000 k = 0.5000-0.2346-0.2961 ( 4536 PWs) bands (ev): -14.3599 -14.3599 -14.2987 -14.2987 -9.8019 -9.8018 -9.6338 -9.6338 -9.4457 -9.4457 -9.3426 -9.3426 -1.9868 -1.9868 -1.9385 -1.9385 1.8815 1.8815 2.0011 2.0011 2.8409 2.8409 2.9282 2.9282 3.2143 3.2143 3.2519 3.2519 3.7702 3.7702 3.9553 3.9554 4.1622 4.1622 4.2355 4.2355 5.1096 5.1097 5.1538 5.1538 6.4517 6.4517 6.4674 6.4674 6.6944 6.6944 6.6993 6.6994 8.0513 8.0515 8.1239 8.1241 8.1876 8.1879 8.1962 8.1966 8.2889 8.2892 8.3370 8.3373 8.3930 8.3933 8.4174 8.4177 8.5423 8.5426 8.5634 8.5637 9.1964 9.1964 9.4731 9.4731 11.4071 11.4072 k = 0.5000-0.2243-0.3107 ( 4534 PWs) bands (ev): -14.3586 -14.3586 -14.2980 -14.2980 -9.8174 -9.8173 -9.6520 -9.6519 -9.4345 -9.4344 -9.3263 -9.3263 -1.9688 -1.9688 -1.9210 -1.9210 1.8433 1.8433 1.9781 1.9781 2.8369 2.8369 2.9335 2.9336 3.2039 3.2040 3.2410 3.2410 3.7643 3.7643 3.9563 3.9563 4.1757 4.1757 4.2526 4.2526 5.1295 5.1295 5.1746 5.1746 6.4457 6.4457 6.4631 6.4631 6.6727 6.6727 6.6776 6.6777 8.0567 8.0570 8.1281 8.1283 8.1902 8.1905 8.1998 8.2002 8.2924 8.2927 8.3418 8.3421 8.3956 8.3959 8.4229 8.4232 8.5399 8.5402 8.5622 8.5625 9.2062 9.2062 9.4818 9.4818 11.4155 11.4156 k = 0.5000-0.2140-0.3253 ( 4530 PWs) bands (ev): -14.3571 -14.3571 -14.2971 -14.2971 -9.8334 -9.8334 -9.6710 -9.6710 -9.4220 -9.4220 -9.3106 -9.3105 -1.9485 -1.9485 -1.9012 -1.9012 1.8020 1.8020 1.9509 1.9509 2.8326 2.8326 2.9376 2.9376 3.1938 3.1938 3.2303 3.2303 3.7587 3.7587 3.9543 3.9543 4.1926 4.1926 4.2718 4.2718 5.1512 5.1512 5.1971 5.1972 6.4389 6.4389 6.4581 6.4581 6.6490 6.6490 6.6545 6.6545 8.0629 8.0632 8.1329 8.1332 8.1926 8.1929 8.2040 8.2044 8.2964 8.2967 8.3458 8.3461 8.3991 8.3993 8.4287 8.4290 8.5374 8.5378 8.5608 8.5612 9.2169 9.2169 9.4910 9.4910 11.4250 11.4252 k = 0.5000-0.2037-0.3399 ( 4528 PWs) bands (ev): -14.3555 -14.3555 -14.2962 -14.2962 -9.8497 -9.8496 -9.6906 -9.6906 -9.4089 -9.4088 -9.2953 -9.2953 -1.9261 -1.9261 -1.8794 -1.8794 1.7583 1.7583 1.9197 1.9197 2.8279 2.8279 2.9398 2.9398 3.1843 3.1843 3.2205 3.2205 3.7535 3.7535 3.9500 3.9500 4.2120 4.2120 4.2929 4.2929 5.1743 5.1743 5.2211 5.2211 6.4314 6.4314 6.4522 6.4522 6.6239 6.6239 6.6304 6.6305 8.0697 8.0700 8.1382 8.1385 8.1948 8.1951 8.2088 8.2092 8.3006 8.3009 8.3491 8.3494 8.4033 8.4035 8.4346 8.4348 8.5350 8.5354 8.5594 8.5597 9.2282 9.2282 9.5006 9.5006 11.4355 11.4357 k = 0.5000-0.1935-0.3545 ( 4534 PWs) bands (ev): -14.3537 -14.3537 -14.2953 -14.2953 -9.8659 -9.8659 -9.7103 -9.7103 -9.3954 -9.3953 -9.2808 -9.2808 -1.9018 -1.9018 -1.8558 -1.8558 1.7125 1.7125 1.8851 1.8851 2.8226 2.8226 2.9399 2.9399 3.1759 3.1759 3.2120 3.2120 3.7487 3.7487 3.9440 3.9440 4.2332 4.2332 4.3156 4.3156 5.1982 5.1983 5.2460 5.2461 6.4231 6.4232 6.4454 6.4455 6.5982 6.5982 6.6061 6.6061 8.0770 8.0773 8.1440 8.1443 8.1969 8.1972 8.2141 8.2144 8.3046 8.3049 8.3516 8.3520 8.4080 8.4081 8.4403 8.4406 8.5328 8.5332 8.5578 8.5582 9.2398 9.2398 9.5100 9.5101 11.4467 11.4468 k = 0.5000-0.1832-0.3691 ( 4526 PWs) bands (ev): -14.3518 -14.3518 -14.2943 -14.2943 -9.8820 -9.8820 -9.7300 -9.7300 -9.3818 -9.3818 -9.2669 -9.2669 -1.8758 -1.8758 -1.8305 -1.8305 1.6651 1.6651 1.8477 1.8477 2.8165 2.8165 2.9375 2.9375 3.1690 3.1690 3.2053 3.2054 3.7443 3.7443 3.9371 3.9371 4.2556 4.2556 4.3395 4.3395 5.2228 5.2228 5.2715 5.2716 6.4140 6.4140 6.4376 6.4377 6.5727 6.5727 6.5822 6.5822 8.0847 8.0851 8.1502 8.1505 8.1990 8.1993 8.2197 8.2199 8.3082 8.3086 8.3537 8.3540 8.4130 8.4132 8.4459 8.4461 8.5310 8.5314 8.5564 8.5568 9.2515 9.2515 9.5192 9.5193 11.4584 11.4585 k = 0.5000-0.1729-0.3837 ( 4528 PWs) bands (ev): -14.3499 -14.3499 -14.2933 -14.2933 -9.8978 -9.8977 -9.7495 -9.7495 -9.3684 -9.3683 -9.2538 -9.2538 -1.8485 -1.8485 -1.8040 -1.8040 1.6165 1.6165 1.8078 1.8078 2.8095 2.8095 2.9324 2.9324 3.1637 3.1638 3.2005 3.2006 3.7405 3.7406 3.9298 3.9298 4.2788 4.2788 4.3642 4.3642 5.2474 5.2475 5.2972 5.2972 6.4038 6.4039 6.4286 6.4287 6.5482 6.5482 6.5593 6.5593 8.0927 8.0931 8.1567 8.1571 8.2012 8.2014 8.2254 8.2256 8.3112 8.3116 8.3551 8.3554 8.4182 8.4184 8.4512 8.4514 8.5295 8.5299 8.5551 8.5555 9.2629 9.2629 9.5278 9.5278 11.4703 11.4704 k = 0.5000-0.1626-0.3983 ( 4534 PWs) bands (ev): -14.3478 -14.3478 -14.2923 -14.2923 -9.9130 -9.9130 -9.7686 -9.7686 -9.3552 -9.3551 -9.2415 -9.2415 -1.8200 -1.8200 -1.7764 -1.7764 1.5674 1.5674 1.7663 1.7663 2.8017 2.8017 2.9248 2.9249 3.1603 3.1603 3.1977 3.1977 3.7374 3.7374 3.9223 3.9223 4.3024 4.3024 4.3893 4.3893 5.2719 5.2719 5.3225 5.3225 6.3925 6.3925 6.4182 6.4182 6.5255 6.5255 6.5382 6.5382 8.1009 8.1013 8.1634 8.1638 8.2035 8.2037 8.2311 8.2313 8.3135 8.3138 8.3562 8.3564 8.4234 8.4236 8.4559 8.4561 8.5286 8.5290 8.5541 8.5545 9.2737 9.2737 9.5354 9.5354 11.4821 11.4822 k = 0.5000-0.1524-0.4129 ( 4528 PWs) bands (ev): -14.3457 -14.3457 -14.2914 -14.2914 -9.9276 -9.9276 -9.7872 -9.7871 -9.3423 -9.3423 -9.2300 -9.2300 -1.7909 -1.7909 -1.7482 -1.7481 1.5181 1.5181 1.7235 1.7235 2.7930 2.7930 2.9151 2.9151 3.1585 3.1585 3.1965 3.1966 3.7351 3.7351 3.9152 3.9152 4.3261 4.3261 4.4145 4.4145 5.2957 5.2958 5.3472 5.3472 6.3798 6.3799 6.4061 6.4061 6.5056 6.5056 6.5195 6.5196 8.1092 8.1096 8.1702 8.1706 8.2060 8.2063 8.2367 8.2369 8.3150 8.3154 8.3567 8.3570 8.4287 8.4288 8.4602 8.4604 8.5283 8.5287 8.5535 8.5539 9.2837 9.2837 9.5418 9.5418 11.4935 11.4936 k = 0.5000-0.1421-0.4276 ( 4532 PWs) bands (ev): -14.3436 -14.3436 -14.2904 -14.2904 -9.9415 -9.9415 -9.8051 -9.8051 -9.3300 -9.3299 -9.2193 -9.2193 -1.7614 -1.7614 -1.7196 -1.7196 1.4693 1.4693 1.6803 1.6803 2.7836 2.7836 2.9035 2.9035 3.1581 3.1581 3.1968 3.1969 3.7337 3.7338 3.9085 3.9085 4.3496 4.3496 4.4394 4.4394 5.3187 5.3187 5.3709 5.3709 6.3659 6.3659 6.3924 6.3925 6.4889 6.4889 6.5038 6.5038 8.1173 8.1177 8.1768 8.1772 8.2088 8.2091 8.2421 8.2422 8.3158 8.3162 8.3566 8.3569 8.4338 8.4340 8.4640 8.4642 8.5284 8.5288 8.5534 8.5539 9.2926 9.2926 9.5466 9.5467 11.5042 11.5043 k = 0.5000-0.1318-0.4422 ( 4534 PWs) bands (ev): -14.3415 -14.3415 -14.2896 -14.2896 -9.9545 -9.9545 -9.8223 -9.8223 -9.3181 -9.3181 -9.2095 -9.2095 -1.7320 -1.7320 -1.6912 -1.6912 1.4215 1.4215 1.6371 1.6371 2.7735 2.7735 2.8906 2.8906 3.1588 3.1589 3.1982 3.1982 3.7334 3.7334 3.9025 3.9025 4.3729 4.3729 4.4638 4.4638 5.3405 5.3406 5.3933 5.3933 6.3510 6.3510 6.3776 6.3776 6.4756 6.4757 6.4911 6.4912 8.1252 8.1256 8.1833 8.1837 8.2119 8.2122 8.2471 8.2472 8.3159 8.3163 8.3560 8.3562 8.4390 8.4391 8.4672 8.4674 8.5290 8.5294 8.5540 8.5544 9.3001 9.3001 9.5498 9.5498 11.5138 11.5139 k = 0.5000-0.1215-0.4568 ( 4540 PWs) bands (ev): -14.3394 -14.3394 -14.2888 -14.2888 -9.9666 -9.9666 -9.8386 -9.8386 -9.3069 -9.3068 -9.2005 -9.2005 -1.7031 -1.7031 -1.6633 -1.6633 1.3752 1.3752 1.5947 1.5947 2.7631 2.7631 2.8769 2.8769 3.1603 3.1604 3.2003 3.2003 3.7341 3.7341 3.8974 3.8974 4.3957 4.3957 4.4875 4.4875 5.3609 5.3610 5.4139 5.4140 6.3356 6.3356 6.3622 6.3622 6.4657 6.4657 6.4815 6.4815 8.1327 8.1330 8.1894 8.1897 8.2153 8.2155 8.2517 8.2518 8.3156 8.3159 8.3547 8.3549 8.4440 8.4441 8.4699 8.4701 8.5300 8.5303 8.5551 8.5555 9.3060 9.3060 9.5510 9.5510 11.5219 11.5220 k = 0.5000-0.1112-0.4714 ( 4542 PWs) bands (ev): -14.3373 -14.3373 -14.2881 -14.2881 -9.9777 -9.9777 -9.8541 -9.8540 -9.2962 -9.2962 -9.1924 -9.1924 -1.6752 -1.6752 -1.6363 -1.6363 1.3311 1.3311 1.5538 1.5538 2.7524 2.7524 2.8627 2.8627 3.1623 3.1624 3.2027 3.2028 3.7360 3.7360 3.8931 3.8931 4.4179 4.4179 4.5102 4.5102 5.3797 5.3798 5.4327 5.4327 6.3204 6.3204 6.3471 6.3471 6.4587 6.4588 6.4746 6.4746 8.1396 8.1399 8.1949 8.1952 8.2189 8.2192 8.2557 8.2558 8.3149 8.3152 8.3529 8.3531 8.4489 8.4490 8.4722 8.4724 8.5313 8.5317 8.5569 8.5573 9.3103 9.3103 9.5502 9.5502 11.5284 11.5285 k = 0.5000-0.1010-0.4860 ( 4536 PWs) bands (ev): -14.3353 -14.3353 -14.2876 -14.2876 -9.9877 -9.9877 -9.8685 -9.8684 -9.2862 -9.2862 -9.1852 -9.1852 -1.6488 -1.6488 -1.6109 -1.6109 1.2897 1.2897 1.5149 1.5150 2.7416 2.7416 2.8484 2.8484 3.1645 3.1646 3.2052 3.2052 3.7391 3.7391 3.8898 3.8899 4.4394 4.4394 4.5320 4.5320 5.3968 5.3968 5.4494 5.4494 6.3060 6.3060 6.3329 6.3330 6.4544 6.4545 6.4702 6.4703 8.1459 8.1462 8.1998 8.2001 8.2227 8.2230 8.2591 8.2592 8.3140 8.3144 8.3508 8.3510 8.4535 8.4536 8.4742 8.4743 8.5331 8.5334 8.5592 8.5596 9.3127 9.3127 9.5472 9.5472 11.5328 11.5329 k = 0.5000-0.0907-0.5006 ( 4538 PWs) bands (ev): -14.3333 -14.3333 -14.2872 -14.2872 -9.9965 -9.9965 -9.8818 -9.8818 -9.2769 -9.2769 -9.1789 -9.1788 -1.6244 -1.6244 -1.5874 -1.5874 1.2517 1.2517 1.4789 1.4789 2.7310 2.7310 2.8342 2.8342 3.1666 3.1667 3.2074 3.2075 3.7433 3.7433 3.8876 3.8876 4.4601 4.4601 4.5526 4.5526 5.4120 5.4120 5.4638 5.4639 6.2928 6.2928 6.3201 6.3201 6.4525 6.4526 6.4682 6.4682 8.1514 8.1517 8.2039 8.2042 8.2265 8.2267 8.2617 8.2619 8.3131 8.3135 8.3486 8.3488 8.4575 8.4576 8.4760 8.4761 8.5351 8.5354 8.5619 8.5623 9.3131 9.3131 9.5419 9.5420 11.5350 11.5351 k = 0.5000-0.0804-0.5152 ( 4532 PWs) bands (ev): -14.3314 -14.3314 -14.2869 -14.2869 -10.0041 -10.0041 -9.8939 -9.8939 -9.2683 -9.2683 -9.1734 -9.1734 -1.6024 -1.6024 -1.5663 -1.5663 1.2177 1.2177 1.4462 1.4462 2.7206 2.7206 2.8204 2.8204 3.1685 3.1685 3.2092 3.2092 3.7486 3.7487 3.8863 3.8863 4.4800 4.4800 4.5721 4.5721 5.4253 5.4254 5.4761 5.4761 6.2814 6.2814 6.3089 6.3089 6.4528 6.4529 6.4683 6.4684 8.1560 8.1562 8.2074 8.2077 8.2300 8.2302 8.2636 8.2638 8.3123 8.3127 8.3466 8.3468 8.4608 8.4608 8.4778 8.4779 8.5374 8.5377 8.5649 8.5652 9.3116 9.3116 9.5344 9.5344 11.5346 11.5347 k = 0.5000-0.0701-0.5298 ( 4532 PWs) bands (ev): -14.3297 -14.3297 -14.2868 -14.2868 -10.0104 -10.0104 -9.9049 -9.9048 -9.2604 -9.2604 -9.1688 -9.1688 -1.5835 -1.5835 -1.5482 -1.5482 1.1882 1.1882 1.4175 1.4175 2.7106 2.7106 2.8072 2.8072 3.1698 3.1699 3.2103 3.2103 3.7550 3.7551 3.8859 3.8860 4.4989 4.4990 4.5903 4.5903 5.4369 5.4369 5.4862 5.4862 6.2718 6.2718 6.2994 6.2994 6.4553 6.4553 6.4706 6.4707 8.1596 8.1599 8.2100 8.2103 8.2329 8.2331 8.2647 8.2649 8.3117 8.3121 8.3449 8.3452 8.4629 8.4630 8.4798 8.4798 8.5400 8.5402 8.5680 8.5683 9.3080 9.3081 9.5246 9.5246 11.5316 11.5317 k = 0.5000-0.0598-0.5444 ( 4526 PWs) bands (ev): -14.3281 -14.3281 -14.2869 -14.2869 -10.0155 -10.0154 -9.9145 -9.9145 -9.2533 -9.2533 -9.1652 -9.1651 -1.5680 -1.5680 -1.5335 -1.5334 1.1638 1.1638 1.3934 1.3934 2.7012 2.7012 2.7946 2.7946 3.1706 3.1706 3.2107 3.2107 3.7624 3.7624 3.8865 3.8865 4.5170 4.5171 4.6072 4.6073 5.4467 5.4468 5.4943 5.4943 6.2641 6.2641 6.2917 6.2917 6.4598 6.4598 6.4750 6.4750 8.1623 8.1625 8.2117 8.2119 8.2352 8.2353 8.2654 8.2656 8.3115 8.3118 8.3438 8.3441 8.4641 8.4642 8.4818 8.4819 8.5428 8.5430 8.5712 8.5714 9.3026 9.3026 9.5126 9.5126 11.5259 11.5260 k = 0.5000-0.0496-0.5590 ( 4524 PWs) bands (ev): -14.3266 -14.3266 -14.2871 -14.2871 -10.0191 -10.0191 -9.9229 -9.9228 -9.2470 -9.2470 -9.1623 -9.1623 -1.5565 -1.5565 -1.5225 -1.5225 1.1449 1.1449 1.3744 1.3744 2.6923 2.6923 2.7828 2.7828 3.1706 3.1706 3.2102 3.2102 3.7705 3.7705 3.8878 3.8878 4.5342 4.5343 4.6229 4.6229 5.4551 5.4551 5.5008 5.5008 6.2583 6.2583 6.2856 6.2856 6.4661 6.4662 6.4814 6.4814 8.1639 8.1641 8.2121 8.2123 8.2364 8.2365 8.2658 8.2660 8.3115 8.3118 8.3433 8.3435 8.4646 8.4647 8.4836 8.4837 8.5457 8.5460 8.5742 8.5745 9.2952 9.2952 9.4984 9.4984 11.5173 11.5174 k = 0.5000-0.0393-0.5736 ( 4522 PWs) bands (ev): -14.3254 -14.3254 -14.2876 -14.2876 -10.0214 -10.0214 -9.9298 -9.9298 -9.2415 -9.2414 -9.1604 -9.1604 -1.5492 -1.5492 -1.5157 -1.5157 1.1320 1.1320 1.3608 1.3608 2.6841 2.6841 2.7718 2.7719 3.1698 3.1698 3.2088 3.2088 3.7792 3.7793 3.8897 3.8897 4.5506 4.5506 4.6373 4.6374 5.4623 5.4623 5.5060 5.5060 6.2543 6.2543 6.2811 6.2812 6.4743 6.4743 6.4896 6.4897 8.1645 8.1647 8.2111 8.2113 8.2367 8.2368 8.2665 8.2667 8.3118 8.3121 8.3432 8.3435 8.4645 8.4646 8.4847 8.4849 8.5487 8.5489 8.5772 8.5774 9.2861 9.2861 9.4823 9.4823 11.5059 11.5060 k = 0.5000-0.0290-0.5882 ( 4528 PWs) bands (ev): -14.3242 -14.3242 -14.2882 -14.2882 -10.0223 -10.0222 -9.9354 -9.9354 -9.2367 -9.2367 -9.1594 -9.1593 -1.5464 -1.5464 -1.5134 -1.5134 1.1255 1.1255 1.3532 1.3532 2.6767 2.6767 2.7618 2.7618 3.1681 3.1682 3.2066 3.2066 3.7885 3.7885 3.8921 3.8922 4.5660 4.5660 4.6505 4.6505 5.4684 5.4685 5.5102 5.5102 6.2520 6.2520 6.2781 6.2782 6.4840 6.4840 6.4996 6.4996 8.1640 8.1642 8.2085 8.2087 8.2360 8.2361 8.2675 8.2677 8.3121 8.3124 8.3435 8.3438 8.4640 8.4641 8.4851 8.4853 8.5517 8.5519 8.5800 8.5802 9.2754 9.2754 9.4643 9.4643 11.4917 11.4918 k = 0.5000-0.0187-0.6028 ( 4524 PWs) bands (ev): -14.3233 -14.3233 -14.2891 -14.2891 -10.0217 -10.0217 -9.9396 -9.9395 -9.2328 -9.2328 -9.1592 -9.1591 -1.5483 -1.5483 -1.5156 -1.5156 1.1254 1.1254 1.3515 1.3516 2.6700 2.6700 2.7526 2.7526 3.1656 3.1657 3.2035 3.2035 3.7980 3.7980 3.8950 3.8950 4.5805 4.5806 4.6623 4.6624 5.4740 5.4740 5.5139 5.5139 6.2512 6.2513 6.2765 6.2766 6.4950 6.4951 6.5111 6.5111 8.1624 8.1626 8.2046 8.2047 8.2344 8.2346 8.2690 8.2692 8.3126 8.3128 8.3442 8.3445 8.4632 8.4633 8.4846 8.4848 8.5545 8.5547 8.5826 8.5828 9.2633 9.2633 9.4447 9.4448 11.4748 11.4749 k = 0.5000-0.0085-0.6174 ( 4534 PWs) bands (ev): -14.3226 -14.3226 -14.2901 -14.2901 -10.0198 -10.0197 -9.9423 -9.9422 -9.2297 -9.2297 -9.1598 -9.1598 -1.5550 -1.5550 -1.5225 -1.5225 1.1319 1.1319 1.3561 1.3561 2.6642 2.6642 2.7444 2.7444 3.1622 3.1623 3.1995 3.1995 3.8076 3.8076 3.8980 3.8981 4.5942 4.5942 4.6729 4.6729 5.4792 5.4792 5.5175 5.5175 6.2520 6.2520 6.2763 6.2763 6.5072 6.5072 6.5238 6.5238 8.1597 8.1599 8.1994 8.1996 8.2320 8.2322 8.2706 8.2708 8.3130 8.3133 8.3450 8.3452 8.4620 8.4622 8.4831 8.4833 8.5571 8.5572 8.5851 8.5852 9.2500 9.2500 9.4237 9.4237 11.4553 11.4554 k = 0.7524 0.1354-0.2164 ( 4534 PWs) bands (ev): -14.3226 -14.3226 -14.2901 -14.2901 -10.0197 -10.0197 -9.9423 -9.9423 -9.2297 -9.2297 -9.1598 -9.1598 -1.5550 -1.5550 -1.5225 -1.5225 1.1319 1.1319 1.3561 1.3561 2.6641 2.6642 2.7444 2.7444 3.1623 3.1623 3.1995 3.1995 3.8076 3.8076 3.8980 3.8980 4.5942 4.5942 4.6729 4.6729 5.4792 5.4792 5.5175 5.5176 6.2520 6.2520 6.2763 6.2763 6.5072 6.5072 6.5238 6.5238 8.1597 8.1599 8.1994 8.1996 8.2320 8.2322 8.2706 8.2708 8.3130 8.3133 8.3450 8.3452 8.4620 8.4622 8.4831 8.4833 8.5571 8.5572 8.5851 8.5852 9.2500 9.2500 9.4237 9.4237 11.4553 11.4554 k = 0.7437 0.1405-0.2020 ( 4534 PWs) bands (ev): -14.3220 -14.3220 -14.2914 -14.2914 -10.0164 -10.0164 -9.9435 -9.9435 -9.2274 -9.2274 -9.1613 -9.1613 -1.5661 -1.5661 -1.5338 -1.5338 1.1447 1.1447 1.3666 1.3666 2.6592 2.6592 2.7372 2.7372 3.1581 3.1581 3.1949 3.1949 3.8170 3.8170 3.9012 3.9012 4.6066 4.6067 4.6820 4.6820 5.4843 5.4843 5.5214 5.5214 6.2541 6.2541 6.2773 6.2773 6.5200 6.5200 6.5372 6.5372 8.1559 8.1560 8.1935 8.1937 8.2290 8.2292 8.2722 8.2723 8.3135 8.3138 8.3458 8.3460 8.4604 8.4606 8.4807 8.4810 8.5593 8.5594 8.5873 8.5875 9.2359 9.2360 9.4019 9.4019 11.4338 11.4339 k = 0.7350 0.1457-0.1877 ( 4532 PWs) bands (ev): -14.3217 -14.3217 -14.2928 -14.2928 -10.0117 -10.0117 -9.9434 -9.9434 -9.2260 -9.2260 -9.1636 -9.1636 -1.5815 -1.5815 -1.5494 -1.5494 1.1637 1.1637 1.3829 1.3829 2.6550 2.6551 2.7308 2.7308 3.1532 3.1532 3.1895 3.1895 3.8263 3.8263 3.9044 3.9044 4.6181 4.6181 4.6897 4.6897 5.4897 5.4897 5.5260 5.5260 6.2575 6.2575 6.2796 6.2796 6.5334 6.5334 6.5512 6.5513 8.1507 8.1508 8.1871 8.1873 8.2252 8.2254 8.2732 8.2734 8.3142 8.3145 8.3466 8.3468 8.4582 8.4584 8.4778 8.4780 8.5611 8.5613 8.5895 8.5896 9.2212 9.2212 9.3792 9.3792 11.4099 11.4101 k = 0.7263 0.1508-0.1733 ( 4538 PWs) bands (ev): -14.3215 -14.3215 -14.2944 -14.2944 -10.0057 -10.0057 -9.9418 -9.9418 -9.2253 -9.2253 -9.1667 -9.1667 -1.6011 -1.6011 -1.5691 -1.5691 1.1886 1.1886 1.4049 1.4049 2.6517 2.6517 2.7253 2.7254 3.1476 3.1476 3.1835 3.1835 3.8353 3.8353 3.9075 3.9075 4.6284 4.6284 4.6960 4.6960 5.4957 5.4957 5.5316 5.5316 6.2622 6.2622 6.2831 6.2831 6.5470 6.5470 6.5656 6.5656 8.1440 8.1441 8.1805 8.1807 8.2206 8.2208 8.2735 8.2737 8.3152 8.3154 8.3474 8.3476 8.4551 8.4554 8.4743 8.4746 8.5626 8.5627 8.5914 8.5916 9.2059 9.2060 9.3559 9.3559 11.3841 11.3842 k = 0.7176 0.1560-0.1589 ( 4540 PWs) bands (ev): -14.3215 -14.3215 -14.2961 -14.2961 -9.9984 -9.9984 -9.9389 -9.9389 -9.2255 -9.2255 -9.1707 -9.1707 -1.6245 -1.6245 -1.5926 -1.5926 1.2191 1.2191 1.4321 1.4321 2.6491 2.6491 2.7207 2.7207 3.1413 3.1413 3.1769 3.1769 3.8439 3.8439 3.9106 3.9106 4.6374 4.6375 4.7006 4.7007 5.5025 5.5025 5.5386 5.5386 6.2680 6.2681 6.2879 6.2879 6.5606 6.5606 6.5799 6.5799 8.1358 8.1359 8.1736 8.1738 8.2155 8.2157 8.2726 8.2728 8.3166 8.3168 8.3482 8.3483 8.4509 8.4512 8.4708 8.4710 8.5637 8.5639 8.5933 8.5934 9.1904 9.1905 9.3322 9.3322 11.3563 11.3564 k = 0.7089 0.1612-0.1445 ( 4532 PWs) bands (ev): -14.3217 -14.3217 -14.2980 -14.2980 -9.9898 -9.9898 -9.9346 -9.9346 -9.2265 -9.2265 -9.1754 -9.1754 -1.6512 -1.6512 -1.6195 -1.6195 1.2548 1.2548 1.4643 1.4643 2.6473 2.6473 2.7168 2.7168 3.1344 3.1344 3.1698 3.1698 3.8522 3.8522 3.9137 3.9137 4.6450 4.6450 4.7036 4.7037 5.5105 5.5105 5.5472 5.5472 6.2750 6.2751 6.2940 6.2940 6.5740 6.5740 6.5939 6.5940 8.1260 8.1261 8.1660 8.1662 8.2099 8.2100 8.2706 8.2708 8.3185 8.3187 8.3490 8.3492 8.4458 8.4461 8.4672 8.4675 8.5647 8.5649 8.5950 8.5951 9.1749 9.1750 9.3083 9.3084 11.3268 11.3269 k = 0.7002 0.1663-0.1302 ( 4544 PWs) bands (ev): -14.3221 -14.3221 -14.3001 -14.3001 -9.9799 -9.9799 -9.9289 -9.9289 -9.2283 -9.2283 -9.1809 -9.1809 -1.6809 -1.6809 -1.6495 -1.6495 1.2952 1.2952 1.5009 1.5009 2.6461 2.6462 2.7137 2.7137 3.1270 3.1270 3.1622 3.1622 3.8601 3.8601 3.9168 3.9168 4.6508 4.6509 4.7048 4.7048 5.5199 5.5199 5.5577 5.5577 6.2832 6.2832 6.3013 6.3014 6.5868 6.5868 6.6074 6.6074 8.1145 8.1146 8.1572 8.1574 8.2042 8.2043 8.2673 8.2676 8.3206 8.3207 8.3499 8.3500 8.4398 8.4401 8.4637 8.4640 8.5655 8.5656 8.5964 8.5966 9.1594 9.1595 9.2845 9.2846 11.2959 11.2960 k = 0.6915 0.1715-0.1158 ( 4542 PWs) bands (ev): -14.3226 -14.3226 -14.3023 -14.3023 -9.9688 -9.9688 -9.9220 -9.9220 -9.2310 -9.2310 -9.1871 -9.1871 -1.7131 -1.7131 -1.6819 -1.6819 1.3397 1.3397 1.5415 1.5415 2.6457 2.6457 2.7112 2.7112 3.1191 3.1191 3.1541 3.1541 3.8676 3.8676 3.9199 3.9200 4.6548 4.6548 4.7040 4.7040 5.5307 5.5307 5.5703 5.5703 6.2925 6.2925 6.3100 6.3100 6.5989 6.5990 6.6201 6.6201 8.1014 8.1016 8.1466 8.1468 8.1989 8.1991 8.2631 8.2633 8.3227 8.3229 8.3509 8.3511 8.4336 8.4339 8.4601 8.4604 8.5663 8.5664 8.5978 8.5979 9.1442 9.1443 9.2610 9.2611 11.2637 11.2638 k = 0.6828 0.1766-0.1014 ( 4536 PWs) bands (ev): -14.3233 -14.3233 -14.3046 -14.3046 -9.9566 -9.9566 -9.9138 -9.9138 -9.2345 -9.2345 -9.1941 -9.1941 -1.7473 -1.7473 -1.7165 -1.7165 1.3880 1.3880 1.5856 1.5856 2.6459 2.6459 2.7094 2.7094 3.1108 3.1108 3.1456 3.1456 3.8749 3.8749 3.9233 3.9233 4.6566 4.6566 4.7011 4.7011 5.5433 5.5433 5.5851 5.5851 6.3028 6.3028 6.3198 6.3199 6.6101 6.6102 6.6318 6.6318 8.0867 8.0869 8.1336 8.1337 8.1945 8.1947 8.2580 8.2583 8.3245 8.3247 8.3522 8.3524 8.4277 8.4279 8.4563 8.4566 8.5671 8.5672 8.5989 8.5990 9.1293 9.1294 9.2379 9.2380 11.2304 11.2305 k = 0.6741 0.1818-0.0870 ( 4534 PWs) bands (ev): -14.3241 -14.3241 -14.3070 -14.3070 -9.9433 -9.9433 -9.9044 -9.9044 -9.2388 -9.2388 -9.2019 -9.2019 -1.7829 -1.7829 -1.7527 -1.7527 1.4394 1.4394 1.6326 1.6326 2.6467 2.6467 2.7081 2.7081 3.1021 3.1021 3.1367 3.1367 3.8819 3.8820 3.9270 3.9270 4.6560 4.6560 4.6960 4.6960 5.5576 5.5577 5.6019 5.6019 6.3142 6.3142 6.3309 6.3309 6.6202 6.6203 6.6422 6.6423 8.0703 8.0705 8.1177 8.1179 8.1910 8.1912 8.2525 8.2527 8.3256 8.3257 8.3538 8.3539 8.4224 8.4226 8.4525 8.4527 8.5679 8.5681 8.5997 8.5999 9.1149 9.1150 9.2154 9.2155 11.1964 11.1965 k = 0.6654 0.1869-0.0727 ( 4536 PWs) bands (ev): -14.3250 -14.3250 -14.3095 -14.3095 -9.9291 -9.9291 -9.8938 -9.8938 -9.2439 -9.2439 -9.2104 -9.2103 -1.8197 -1.8197 -1.7901 -1.7901 1.4934 1.4934 1.6819 1.6819 2.6480 2.6481 2.7074 2.7074 3.0931 3.0931 3.1274 3.1274 3.8889 3.8889 3.9312 3.9312 4.6529 4.6529 4.6887 4.6887 5.5738 5.5738 5.6209 5.6209 6.3266 6.3267 6.3431 6.3432 6.6291 6.6291 6.6514 6.6514 8.0520 8.0522 8.0992 8.0994 8.1885 8.1887 8.2466 8.2469 8.3254 8.3256 8.3556 8.3557 8.4184 8.4186 8.4487 8.4489 8.5688 8.5690 8.6003 8.6005 9.1009 9.1011 9.1936 9.1937 11.1618 11.1619 k = 0.6567 0.1921-0.0583 ( 4536 PWs) bands (ev): -14.3261 -14.3261 -14.3121 -14.3121 -9.9138 -9.9138 -9.8822 -9.8822 -9.2499 -9.2499 -9.2195 -9.2195 -1.8570 -1.8570 -1.8282 -1.8282 1.5495 1.5495 1.7331 1.7331 2.6499 2.6499 2.7071 2.7072 3.0838 3.0838 3.1177 3.1177 3.8960 3.8960 3.9360 3.9360 4.6472 4.6472 4.6792 4.6792 5.5916 5.5917 5.6418 5.6418 6.3400 6.3401 6.3565 6.3565 6.6367 6.6367 6.6592 6.6592 8.0319 8.0321 8.0781 8.0783 8.1869 8.1872 8.2409 8.2412 8.3239 8.3241 8.3576 8.3578 8.4159 8.4161 8.4452 8.4455 8.5698 8.5699 8.6006 8.6008 9.0875 9.0876 9.1726 9.1727 11.1269 11.1270 k = 0.6480 0.1973-0.0439 ( 4542 PWs) bands (ev): -14.3272 -14.3272 -14.3146 -14.3146 -9.8978 -9.8978 -9.8695 -9.8695 -9.2566 -9.2566 -9.2293 -9.2293 -1.8946 -1.8946 -1.8666 -1.8666 1.6073 1.6073 1.7856 1.7856 2.6523 2.6523 2.7073 2.7074 3.0742 3.0742 3.1077 3.1077 3.9033 3.9033 3.9415 3.9415 4.6387 4.6387 4.6676 4.6676 5.6112 5.6112 5.6643 5.6643 6.3544 6.3544 6.3709 6.3709 6.6429 6.6429 6.6654 6.6655 8.0100 8.0101 8.0548 8.0550 8.1860 8.1863 8.2354 8.2356 8.3210 8.3212 8.3594 8.3596 8.4149 8.4151 8.4424 8.4427 8.5707 8.5709 8.6007 8.6009 9.0745 9.0747 9.1524 9.1525 11.0920 11.0921 k = 0.6393 0.2024-0.0295 ( 4540 PWs) bands (ev): -14.3284 -14.3284 -14.3172 -14.3172 -9.8809 -9.8809 -9.8559 -9.8559 -9.2642 -9.2642 -9.2398 -9.2398 -1.9319 -1.9319 -1.9049 -1.9049 1.6660 1.6661 1.8388 1.8388 2.6551 2.6551 2.7079 2.7080 3.0644 3.0644 3.0972 3.0972 3.9110 3.9110 3.9479 3.9479 4.6275 4.6275 4.6539 4.6539 5.6321 5.6321 5.6882 5.6882 6.3697 6.3697 6.3862 6.3862 6.6477 6.6477 6.6702 6.6703 7.9863 7.9865 8.0295 8.0297 8.1858 8.1860 8.2304 8.2307 8.3170 8.3172 8.3606 8.3608 8.4154 8.4156 8.4409 8.4411 8.5716 8.5717 8.6005 8.6007 9.0621 9.0623 9.1330 9.1332 11.0574 11.0575 k = 0.6306 0.2076-0.0152 ( 4538 PWs) bands (ev): -14.3297 -14.3297 -14.3197 -14.3197 -9.8635 -9.8635 -9.8414 -9.8414 -9.2726 -9.2726 -9.2508 -9.2508 -1.9687 -1.9687 -1.9428 -1.9428 1.7254 1.7254 1.8922 1.8922 2.6584 2.6584 2.7089 2.7090 3.0543 3.0543 3.0864 3.0864 3.9193 3.9193 3.9553 3.9553 4.6136 4.6136 4.6381 4.6382 5.6543 5.6543 5.7131 5.7131 6.3859 6.3859 6.4024 6.4025 6.6511 6.6511 6.6736 6.6736 7.9612 7.9614 8.0027 8.0029 8.1860 8.1863 8.2259 8.2262 8.3121 8.3123 8.3605 8.3608 8.4174 8.4175 8.4409 8.4411 8.5724 8.5725 8.6000 8.6001 9.0503 9.0505 9.1146 9.1148 11.0232 11.0234 k = 0.6219 0.2127-0.0008 ( 4542 PWs) bands (ev): -14.3310 -14.3310 -14.3223 -14.3223 -9.8454 -9.8454 -9.8261 -9.8261 -9.2818 -9.2818 -9.2624 -9.2624 -2.0045 -2.0045 -1.9799 -1.9799 1.7849 1.7849 1.9452 1.9452 2.6621 2.6622 2.7103 2.7103 3.0440 3.0440 3.0751 3.0751 3.9285 3.9285 3.9637 3.9637 4.5972 4.5972 4.6205 4.6205 5.6774 5.6774 5.7384 5.7384 6.4029 6.4029 6.4194 6.4195 6.6533 6.6533 6.6755 6.6755 7.9348 7.9350 7.9746 7.9748 8.1868 8.1870 8.2221 8.2225 8.3067 8.3069 8.3588 8.3590 8.4206 8.4207 8.4428 8.4429 8.5730 8.5731 8.5992 8.5993 9.0389 9.0391 9.0971 9.0973 10.9899 10.9900 k = 0.6131 0.2179 0.0136 ( 4536 PWs) bands (ev): -14.3323 -14.3323 -14.3247 -14.3247 -9.8269 -9.8269 -9.8101 -9.8101 -9.2918 -9.2918 -9.2745 -9.2745 -2.0391 -2.0391 -2.0158 -2.0158 1.8440 1.8440 1.9973 1.9973 2.6663 2.6664 2.7121 2.7121 3.0334 3.0334 3.0634 3.0634 3.9387 3.9387 3.9732 3.9732 4.5785 4.5785 4.6011 4.6011 5.7010 5.7010 5.7637 5.7637 6.4206 6.4206 6.4372 6.4372 6.6544 6.6544 6.6761 6.6761 7.9075 7.9077 7.9457 7.9459 8.1878 8.1881 8.2190 8.2193 8.3011 8.3013 8.3552 8.3555 8.4253 8.4254 8.4464 8.4465 8.5734 8.5735 8.5980 8.5981 9.0282 9.0284 9.0806 9.0808 10.9577 10.9578 k = 0.6044 0.2230 0.0280 ( 4540 PWs) bands (ev): -14.3336 -14.3336 -14.3271 -14.3271 -9.8081 -9.8081 -9.7936 -9.7936 -9.3026 -9.3026 -9.2869 -9.2869 -2.0722 -2.0722 -2.0503 -2.0503 1.9022 1.9022 2.0480 2.0480 2.6710 2.6711 2.7143 2.7143 3.0224 3.0224 3.0513 3.0513 3.9501 3.9501 3.9839 3.9839 4.5579 4.5579 4.5799 4.5799 5.7248 5.7249 5.7886 5.7886 6.4390 6.4390 6.4554 6.4554 6.6544 6.6544 6.6755 6.6755 7.8797 7.8799 7.9161 7.9164 8.1892 8.1894 8.2164 8.2167 8.2955 8.2957 8.3500 8.3502 8.4312 8.4313 8.4513 8.4515 8.5734 8.5736 8.5964 8.5966 9.0180 9.0182 9.0650 9.0652 10.9268 10.9269 k = 0.5957 0.2282 0.0424 ( 4540 PWs) bands (ev): -14.3349 -14.3349 -14.3294 -14.3294 -9.7891 -9.7891 -9.7766 -9.7766 -9.3140 -9.3140 -9.2997 -9.2997 -2.1035 -2.1035 -2.0831 -2.0831 1.9591 1.9591 2.0966 2.0966 2.6763 2.6763 2.7170 2.7170 3.0111 3.0111 3.0387 3.0387 3.9627 3.9627 3.9958 3.9958 4.5355 4.5355 4.5570 4.5570 5.7485 5.7486 5.8125 5.8125 6.4579 6.4580 6.4741 6.4741 6.6536 6.6536 6.6739 6.6739 7.8517 7.8519 7.8864 7.8867 8.1908 8.1911 8.2143 8.2147 8.2900 8.2902 8.3435 8.3438 8.4382 8.4383 8.4574 8.4575 8.5733 8.5734 8.5945 8.5947 9.0084 9.0086 9.0505 9.0507 10.8975 10.8975 k = 0.5870 0.2334 0.0567 ( 4536 PWs) bands (ev): -14.3361 -14.3361 -14.3315 -14.3315 -9.7700 -9.7700 -9.7594 -9.7594 -9.3262 -9.3262 -9.3126 -9.3126 -2.1328 -2.1328 -2.1140 -2.1140 2.0141 2.0141 2.1427 2.1427 2.6822 2.6822 2.7202 2.7202 2.9993 2.9993 3.0258 3.0258 3.9768 3.9768 4.0089 4.0089 4.5117 4.5117 4.5327 4.5327 5.7717 5.7718 5.8349 5.8349 6.4773 6.4773 6.4930 6.4930 6.6523 6.6523 6.6715 6.6715 7.8241 7.8243 7.8569 7.8572 8.1926 8.1929 8.2127 8.2130 8.2849 8.2851 8.3361 8.3364 8.4460 8.4461 8.4642 8.4643 8.5727 8.5729 8.5922 8.5923 8.9995 8.9997 9.0369 9.0371 10.8699 10.8700 k = 0.5783 0.2385 0.0711 ( 4528 PWs) bands (ev): -14.3373 -14.3373 -14.3335 -14.3335 -9.7510 -9.7510 -9.7419 -9.7419 -9.3390 -9.3390 -9.3257 -9.3257 -2.1598 -2.1597 -2.1426 -2.1426 2.0667 2.0667 2.1856 2.1856 2.6888 2.6888 2.7240 2.7240 2.9869 2.9869 3.0126 3.0126 3.9924 3.9924 4.0232 4.0232 4.4868 4.4868 4.5071 4.5071 5.7941 5.7941 5.8555 5.8555 6.4968 6.4968 6.5119 6.5119 6.6505 6.6505 6.6684 6.6684 7.7971 7.7973 7.8280 7.8282 8.1946 8.1949 8.2113 8.2116 8.2802 8.2805 8.3281 8.3284 8.4546 8.4547 8.4717 8.4718 8.5718 8.5720 8.5895 8.5896 8.9913 8.9915 9.0244 9.0246 10.8443 10.8445 k = 0.5696 0.2437 0.0855 ( 4536 PWs) bands (ev): -14.3384 -14.3384 -14.3354 -14.3354 -9.7324 -9.7324 -9.7245 -9.7245 -9.3522 -9.3522 -9.3387 -9.3387 -2.1843 -2.1843 -2.1689 -2.1689 2.1165 2.1165 2.2248 2.2248 2.6961 2.6962 2.7284 2.7285 2.9738 2.9738 2.9993 2.9994 4.0095 4.0095 4.0386 4.0386 4.4611 4.4611 4.4804 4.4804 5.8154 5.8154 5.8738 5.8738 6.5161 6.5161 6.5304 6.5304 6.6486 6.6486 6.6648 6.6648 7.7713 7.7715 7.7999 7.8001 8.1967 8.1970 8.2101 8.2104 8.2761 8.2763 8.3198 8.3201 8.4635 8.4636 8.4794 8.4795 8.5704 8.5706 8.5862 8.5863 8.9839 8.9841 9.0128 9.0130 10.8211 10.8213 k = 0.5609 0.2488 0.0999 ( 4532 PWs) bands (ev): -14.3394 -14.3394 -14.3370 -14.3370 -9.7142 -9.7142 -9.7074 -9.7074 -9.3656 -9.3656 -9.3516 -9.3516 -2.2063 -2.2063 -2.1927 -2.1927 2.1629 2.1629 2.2598 2.2598 2.7044 2.7044 2.7336 2.7337 2.9599 2.9599 2.9862 2.9862 4.0280 4.0280 4.0552 4.0552 4.4349 4.4349 4.4529 4.4530 5.8352 5.8352 5.8896 5.8896 6.5351 6.5351 6.5484 6.5484 6.6467 6.6467 6.6610 6.6610 7.7472 7.7474 7.7733 7.7735 8.1988 8.1991 8.2091 8.2095 8.2726 8.2729 8.3114 8.3118 8.4729 8.4730 8.4874 8.4875 8.5687 8.5688 8.5824 8.5825 8.9773 8.9775 9.0023 9.0026 10.8001 10.8003 k = 0.5522 0.2540 0.1142 ( 4536 PWs) bands (ev): -14.3403 -14.3403 -14.3385 -14.3385 -9.6968 -9.6968 -9.6909 -9.6909 -9.3790 -9.3790 -9.3641 -9.3641 -2.2255 -2.2255 -2.2137 -2.2137 2.2054 2.2054 2.2900 2.2900 2.7137 2.7137 2.7396 2.7396 2.9453 2.9453 2.9733 2.9733 4.0478 4.0478 4.0726 4.0726 4.4087 4.4087 4.4250 4.4250 5.8535 5.8535 5.9026 5.9026 6.5531 6.5531 6.5652 6.5652 6.6451 6.6451 6.6571 6.6571 7.7251 7.7253 7.7484 7.7486 8.2005 8.2008 8.2086 8.2089 8.2698 8.2701 8.3032 8.3036 8.4823 8.4824 8.4954 8.4954 8.5664 8.5666 8.5782 8.5783 8.9716 8.9718 8.9929 8.9932 10.7818 10.7819 k = 0.5435 0.2591 0.1286 ( 4540 PWs) bands (ev): -14.3411 -14.3411 -14.3398 -14.3398 -9.6805 -9.6805 -9.6754 -9.6754 -9.3920 -9.3920 -9.3761 -9.3761 -2.2417 -2.2417 -2.2319 -2.2319 2.2434 2.2434 2.3151 2.3151 2.7238 2.7238 2.7461 2.7461 2.9302 2.9302 2.9610 2.9610 4.0687 4.0687 4.0907 4.0907 4.3826 4.3827 4.3971 4.3971 5.8699 5.8700 5.9128 5.9128 6.5697 6.5697 6.5805 6.5805 6.6438 6.6438 6.6533 6.6533 7.7057 7.7059 7.7257 7.7259 8.2016 8.2018 8.2090 8.2092 8.2677 8.2680 8.2954 8.2958 8.4918 8.4919 8.5032 8.5033 8.5636 8.5638 8.5733 8.5734 8.9670 8.9672 8.9846 8.9849 10.7662 10.7663 k = 0.5348 0.2643 0.1430 ( 4546 PWs) bands (ev): -14.3417 -14.3417 -14.3409 -14.3409 -9.6657 -9.6657 -9.6614 -9.6614 -9.4040 -9.4040 -9.3871 -9.3871 -2.2550 -2.2550 -2.2471 -2.2471 2.2765 2.2765 2.3345 2.3345 2.7346 2.7346 2.7529 2.7529 2.9149 2.9149 2.9496 2.9496 4.0901 4.0901 4.1090 4.1090 4.3575 4.3575 4.3698 4.3698 5.8845 5.8845 5.9201 5.9201 6.5844 6.5844 6.5937 6.5937 6.6428 6.6428 6.6499 6.6499 7.6893 7.6895 7.7059 7.7061 8.2017 8.2018 8.2103 8.2104 8.2663 8.2666 8.2882 8.2885 8.5012 8.5013 8.5108 8.5109 8.5604 8.5606 8.5680 8.5681 8.9633 8.9636 8.9774 8.9777 10.7534 10.7535 k = 0.5261 0.2695 0.1574 ( 4544 PWs) bands (ev): -14.3423 -14.3423 -14.3417 -14.3417 -9.6528 -9.6528 -9.6495 -9.6495 -9.4147 -9.4147 -9.3966 -9.3966 -2.2652 -2.2652 -2.2593 -2.2593 2.3044 2.3044 2.3482 2.3482 2.7457 2.7457 2.7595 2.7595 2.9002 2.9002 2.9396 2.9396 4.1114 4.1114 4.1266 4.1266 4.3340 4.3340 4.3442 4.3442 5.8971 5.8971 5.9245 5.9245 6.5968 6.5968 6.6043 6.6043 6.6419 6.6419 6.6475 6.6475 7.6765 7.6767 7.6893 7.6895 8.2013 8.2013 8.2121 8.2122 8.2656 8.2660 8.2817 8.2821 8.5103 8.5104 8.5180 8.5181 8.5568 8.5569 8.5622 8.5623 8.9609 8.9611 8.9714 8.9717 10.7435 10.7436 k = 0.5174 0.2746 0.1717 ( 4544 PWs) bands (ev): -14.3426 -14.3426 -14.3423 -14.3423 -9.6427 -9.6427 -9.6404 -9.6404 -9.4231 -9.4231 -9.4042 -9.4042 -2.2723 -2.2723 -2.2683 -2.2683 2.3266 2.3266 2.3559 2.3560 2.7560 2.7560 2.7650 2.7650 2.8873 2.8873 2.9316 2.9316 4.1312 4.1312 4.1422 4.1422 4.3136 4.3136 4.3220 4.3220 5.9075 5.9075 5.9262 5.9262 6.6063 6.6063 6.6118 6.6118 6.6405 6.6405 6.6465 6.6465 7.6677 7.6679 7.6764 7.6766 8.2008 8.2008 8.2139 8.2139 8.2657 8.2661 8.2762 8.2766 8.5188 8.5190 8.5244 8.5245 8.5528 8.5530 8.5562 8.5563 8.9596 8.9599 8.9666 8.9669 10.7366 10.7367 k = 0.5087 0.2798 0.1861 ( 4546 PWs) bands (ev): -14.3428 -14.3428 -14.3427 -14.3427 -9.6360 -9.6360 -9.6348 -9.6348 -9.4286 -9.4286 -9.4090 -9.4090 -2.2761 -2.2761 -2.2741 -2.2741 2.3429 2.3429 2.3577 2.3577 2.7641 2.7641 2.7684 2.7685 2.8780 2.8780 2.9263 2.9263 4.1469 4.1469 4.1528 4.1528 4.2989 4.2989 4.3059 4.3059 5.9158 5.9158 5.9252 5.9252 6.6128 6.6128 6.6158 6.6158 6.6390 6.6390 6.6464 6.6464 7.6632 7.6634 7.6676 7.6678 8.2004 8.2004 8.2151 8.2151 8.2667 8.2671 8.2718 8.2723 8.5261 8.5264 8.5293 8.5295 8.5491 8.5492 8.5507 8.5508 8.9595 8.9598 8.9631 8.9633 10.7328 10.7329 k = 0.5000 0.2849 0.2005 ( 4544 PWs) bands (ev): -14.3429 -14.3429 -14.3429 -14.3429 -9.6333 -9.6333 -9.6333 -9.6333 -9.4305 -9.4305 -9.4107 -9.4107 -2.2768 -2.2768 -2.2768 -2.2768 2.3533 2.3533 2.3533 2.3533 2.7684 2.7684 2.7685 2.7685 2.8746 2.8746 2.9245 2.9245 4.1549 4.1549 4.1549 4.1549 4.2934 4.2934 4.2998 4.2998 5.9217 5.9217 5.9217 5.9217 6.6161 6.6161 6.6161 6.6161 6.6385 6.6385 6.6465 6.6465 7.6632 7.6632 7.6634 7.6634 8.2002 8.2002 8.2155 8.2155 8.2687 8.2687 8.2691 8.2691 8.5304 8.5304 8.5308 8.5308 8.5473 8.5473 8.5481 8.5481 8.9607 8.9607 8.9610 8.9610 10.7320 10.7320 k = 0.5000 0.2849 0.2005 ( 4544 PWs) bands (ev): -14.3429 -14.3429 -14.3429 -14.3429 -9.6333 -9.6333 -9.6333 -9.6333 -9.4305 -9.4305 -9.4107 -9.4107 -2.2768 -2.2768 -2.2768 -2.2768 2.3533 2.3533 2.3533 2.3533 2.7684 2.7684 2.7685 2.7685 2.8746 2.8746 2.9245 2.9245 4.1549 4.1549 4.1549 4.1549 4.2934 4.2934 4.2998 4.2998 5.9217 5.9217 5.9217 5.9217 6.6161 6.6161 6.6161 6.6161 6.6385 6.6385 6.6465 6.6465 7.6632 7.6632 7.6634 7.6634 8.2002 8.2002 8.2155 8.2155 8.2687 8.2687 8.2691 8.2691 8.5304 8.5304 8.5308 8.5308 8.5473 8.5473 8.5481 8.5481 8.9607 8.9607 8.9610 8.9610 10.7320 10.7320 k = 0.4857 0.2768 0.1948 ( 4549 PWs) bands (ev): -14.3648 -14.3648 -14.3209 -14.3209 -9.6600 -9.6600 -9.6063 -9.6063 -9.4552 -9.4355 -9.4056 -9.3857 -2.3434 -2.3434 -2.2091 -2.2091 2.2962 2.2962 2.4057 2.4057 2.7541 2.7541 2.7854 2.7855 2.8259 2.8751 2.9206 2.9710 4.1302 4.1302 4.1817 4.1817 4.2705 4.2760 4.3199 4.3271 5.9136 5.9136 5.9301 5.9301 6.6054 6.6054 6.6267 6.6267 6.6283 6.6362 6.6486 6.6568 7.6592 7.6592 7.6664 7.6664 8.1949 8.2055 8.2082 8.2229 8.2618 8.2619 8.2757 8.2757 8.5229 8.5229 8.5375 8.5375 8.5391 8.5412 8.5539 8.5548 8.9205 8.9205 8.9975 8.9975 10.6825 10.6825 k = 0.4714 0.2686 0.1890 ( 4543 PWs) bands (ev): -14.3865 -14.3865 -14.2988 -14.2988 -9.6864 -9.6864 -9.5792 -9.5792 -9.4796 -9.4601 -9.3805 -9.3606 -2.4088 -2.4088 -2.1404 -2.1404 2.2355 2.2355 2.4522 2.4522 2.7413 2.7413 2.7750 2.8061 2.8061 2.8234 2.9635 3.0143 4.1078 4.1078 4.2105 4.2105 4.2513 4.2562 4.3498 4.3579 5.9058 5.9058 5.9387 5.9387 6.5947 6.5947 6.6180 6.6258 6.6371 6.6371 6.6585 6.6669 7.6545 7.6545 7.6684 7.6684 8.1895 8.2008 8.2109 8.2302 8.2546 8.2547 8.2823 8.2823 8.5145 8.5145 8.5302 8.5337 8.5435 8.5436 8.5590 8.5613 8.8772 8.8772 9.0304 9.0304 10.6382 10.6382 k = 0.4571 0.2605 0.1833 ( 4537 PWs) bands (ev): -14.4080 -14.4080 -14.2767 -14.2767 -9.7124 -9.7124 -9.5519 -9.5519 -9.5037 -9.4844 -9.3553 -9.3353 -2.4732 -2.4732 -2.0707 -2.0707 2.1724 2.1724 2.4916 2.4916 2.7222 2.7293 2.7293 2.7697 2.8311 2.8311 3.0029 3.0539 4.0880 4.0880 4.2362 4.2404 4.2409 4.2409 4.3829 4.3919 5.8984 5.8984 5.9474 5.9474 6.5841 6.5841 6.6078 6.6154 6.6473 6.6473 6.6682 6.6767 7.6495 7.6495 7.6689 7.6690 8.1841 8.1935 8.2161 8.2375 8.2472 8.2473 8.2886 8.2887 8.5052 8.5053 8.5205 8.5253 8.5489 8.5489 8.5632 8.5672 8.8314 8.8314 9.0594 9.0594 10.5995 10.5995 k = 0.4429 0.2524 0.1776 ( 4528 PWs) bands (ev): -14.4292 -14.4292 -14.2546 -14.2546 -9.7381 -9.7381 -9.5274 -9.5245 -9.5245 -9.5084 -9.3301 -9.3101 -2.5363 -2.5363 -2.0000 -2.0000 2.1076 2.1076 2.5234 2.5234 2.6680 2.7145 2.7173 2.7174 2.8608 2.8608 3.0384 3.0894 4.0712 4.0712 4.2253 4.2290 4.2729 4.2729 4.4190 4.4288 5.8913 5.8913 5.9563 5.9563 6.5736 6.5736 6.5977 6.6051 6.6572 6.6572 6.6775 6.6862 7.6442 7.6442 7.6676 7.6676 8.1788 8.1863 8.2213 8.2396 8.2397 8.2448 8.2948 8.2949 8.4952 8.4952 8.5100 8.5161 8.5535 8.5535 8.5666 8.5721 8.7838 8.7838 9.0847 9.0847 10.5665 10.5665 k = 0.4286 0.2442 0.1719 ( 4540 PWs) bands (ev): -14.4502 -14.4502 -14.2326 -14.2326 -9.7633 -9.7633 -9.5508 -9.5320 -9.4971 -9.4971 -9.3048 -9.2848 -2.5982 -2.5982 -1.9284 -1.9284 2.0418 2.0418 2.5479 2.5479 2.6127 2.6582 2.7049 2.7049 2.8943 2.8943 3.0697 3.1204 4.0577 4.0577 4.2186 4.2219 4.3063 4.3063 4.4578 4.4685 5.8847 5.8847 5.9652 5.9652 6.5632 6.5632 6.5877 6.5949 6.6667 6.6667 6.6865 6.6953 7.6389 7.6389 7.6640 7.6640 8.1734 8.1790 8.2265 8.2318 8.2319 8.2520 8.3007 8.3007 8.4841 8.4841 8.4988 8.5061 8.5572 8.5572 8.5690 8.5762 8.7355 8.7355 9.1064 9.1064 10.5392 10.5392 k = 0.4143 0.2361 0.1661 ( 4543 PWs) bands (ev): -14.4709 -14.4709 -14.2107 -14.2107 -9.7881 -9.7881 -9.5737 -9.5553 -9.4696 -9.4696 -9.2795 -9.2597 -2.6588 -2.6588 -1.8559 -1.8559 1.9755 1.9755 2.5566 2.5660 2.5660 2.6010 2.6916 2.6916 2.9303 2.9303 3.0967 3.1467 4.0478 4.0478 4.2162 4.2194 4.3411 4.3411 4.4993 4.5108 5.8784 5.8784 5.9741 5.9741 6.5530 6.5530 6.5779 6.5849 6.6758 6.6758 6.6950 6.7040 7.6336 7.6336 7.6578 7.6578 8.1682 8.1719 8.2238 8.2239 8.2315 8.2591 8.3063 8.3063 8.4722 8.4722 8.4871 8.4955 8.5600 8.5601 8.5705 8.5794 8.6880 8.6880 9.1247 9.1247 10.5174 10.5174 k = 0.4000 0.2279 0.1604 ( 4537 PWs) bands (ev): -14.4912 -14.4912 -14.1889 -14.1889 -9.8123 -9.8123 -9.5962 -9.5781 -9.4423 -9.4423 -9.2543 -9.2346 -2.7181 -2.7181 -1.7826 -1.7826 1.9091 1.9091 2.5002 2.5434 2.5789 2.5789 2.6771 2.6771 2.9672 2.9672 3.1192 3.1683 4.0419 4.0419 4.2180 4.2212 4.3772 4.3772 4.5432 4.5555 5.8726 5.8726 5.9830 5.9830 6.5432 6.5432 6.5683 6.5751 6.6842 6.6842 6.7030 6.7121 7.6286 7.6286 7.6485 7.6486 8.1630 8.1648 8.2157 8.2158 8.2364 8.2661 8.3116 8.3116 8.4593 8.4593 8.4747 8.4843 8.5619 8.5620 8.5713 8.5819 8.6424 8.6425 9.1400 9.1400 10.5008 10.5008 k = 0.3857 0.2198 0.1547 ( 4543 PWs) bands (ev): -14.5112 -14.5112 -14.1674 -14.1674 -9.8360 -9.8360 -9.6181 -9.6004 -9.4151 -9.4151 -9.2292 -9.2097 -2.7760 -2.7760 -1.7085 -1.7085 1.8431 1.8431 2.4435 2.4856 2.5876 2.5876 2.6612 2.6612 3.0031 3.0031 3.1372 3.1852 4.0403 4.0403 4.2238 4.2272 4.4145 4.4145 4.5893 4.6024 5.8673 5.8673 5.9916 5.9916 6.5336 6.5336 6.5590 6.5656 6.6921 6.6921 6.7104 6.7196 7.6237 7.6238 7.6360 7.6361 8.1577 8.1578 8.2073 8.2074 8.2412 8.2730 8.3165 8.3166 8.4453 8.4453 8.4618 8.4724 8.5618 8.5619 8.5712 8.5835 8.6012 8.6013 9.1524 9.1524 10.4890 10.4890 k = 0.3714 0.2117 0.1489 ( 4549 PWs) bands (ev): -14.5307 -14.5307 -14.1461 -14.1461 -9.8591 -9.8591 -9.6396 -9.6222 -9.3881 -9.3881 -9.2043 -9.1851 -2.8325 -2.8325 -1.6337 -1.6337 1.7778 1.7778 2.3870 2.4279 2.5925 2.5925 2.6443 2.6444 3.0368 3.0368 3.1510 3.1975 4.0434 4.0434 4.2335 4.2371 4.4529 4.4529 4.6376 4.6513 5.8624 5.8624 6.0000 6.0000 6.5244 6.5244 6.5500 6.5564 6.6992 6.6992 6.7171 6.7264 7.6164 7.6165 7.6227 7.6229 8.1509 8.1526 8.1988 8.1989 8.2459 8.2797 8.3212 8.3212 8.4301 8.4301 8.4484 8.4599 8.5505 8.5506 8.5703 8.5747 8.5748 8.5844 9.1622 9.1622 10.4816 10.4816 k = 0.3571 0.2035 0.1432 ( 4558 PWs) bands (ev): -14.5497 -14.5497 -14.1251 -14.1251 -9.8816 -9.8816 -9.6604 -9.6435 -9.3613 -9.3613 -9.1797 -9.1607 -2.8876 -2.8876 -1.5582 -1.5582 1.7134 1.7134 2.3309 2.3705 2.5922 2.5922 2.6283 2.6283 3.0672 3.0672 3.1607 3.2057 4.0513 4.0513 4.2465 4.2505 4.4925 4.4925 4.6877 4.7021 5.8581 5.8581 6.0081 6.0081 6.5156 6.5156 6.5414 6.5475 6.7056 6.7056 6.7230 6.7325 7.5978 7.5979 7.6174 7.6175 8.1441 8.1475 8.1902 8.1902 8.2505 8.2864 8.3255 8.3255 8.4138 8.4138 8.4345 8.4470 8.5215 8.5216 8.5687 8.5703 8.5704 8.5846 9.1697 9.1697 10.4782 10.4782 k = 0.3429 0.1954 0.1375 ( 4555 PWs) bands (ev): -14.5683 -14.5683 -14.1044 -14.1044 -9.9035 -9.9035 -9.6807 -9.6642 -9.3349 -9.3349 -9.1554 -9.1367 -2.9410 -2.9410 -1.4820 -1.4820 1.6503 1.6503 2.2754 2.3137 2.5818 2.5819 2.6184 2.6184 3.0936 3.0936 3.1668 3.2100 4.0639 4.0639 4.2624 4.2670 4.5332 4.5332 4.7395 4.7546 5.8542 5.8542 6.0158 6.0158 6.5072 6.5072 6.5332 6.5390 6.7110 6.7110 6.7280 6.7377 7.5739 7.5740 7.6145 7.6145 8.1374 8.1425 8.1814 8.1815 8.2549 8.2928 8.3293 8.3294 8.3968 8.3968 8.4204 8.4337 8.4937 8.4938 8.5665 8.5696 8.5696 8.5841 9.1752 9.1752 10.4783 10.4783 k = 0.3286 0.1872 0.1318 ( 4561 PWs) bands (ev): -14.5864 -14.5864 -14.0841 -14.0841 -9.9247 -9.9247 -9.7003 -9.6843 -9.3088 -9.3088 -9.1314 -9.1131 -2.9930 -2.9930 -1.4054 -1.4054 1.5886 1.5886 2.2207 2.2577 2.5606 2.5606 2.6156 2.6157 3.1156 3.1156 3.1697 3.2109 4.0810 4.0810 4.2808 4.2858 4.5749 4.5749 4.7928 4.8084 5.8508 5.8508 6.0229 6.0229 6.4993 6.4993 6.5253 6.5309 6.7155 6.7155 6.7322 6.7420 7.5464 7.5464 7.6124 7.6124 8.1308 8.1375 8.1726 8.1727 8.2591 8.2990 8.3325 8.3326 8.3799 8.3799 8.4060 8.4200 8.4701 8.4701 8.5637 8.5690 8.5691 8.5830 9.1788 9.1788 10.4816 10.4816 k = 0.3143 0.1791 0.1260 ( 4549 PWs) bands (ev): -14.6038 -14.6038 -14.0642 -14.0642 -9.9451 -9.9451 -9.7192 -9.7038 -9.2832 -9.2832 -9.1079 -9.0899 -3.0432 -3.0432 -1.3282 -1.3282 1.5286 1.5286 2.1670 2.2027 2.5333 2.5333 2.6154 2.6154 3.1331 3.1331 3.1698 3.2091 4.1023 4.1023 4.3012 4.3067 4.6177 4.6177 4.8473 4.8634 5.8479 5.8479 6.0294 6.0294 6.4919 6.4919 6.5180 6.5233 6.7190 6.7190 6.7354 6.7453 7.5159 7.5159 7.6112 7.6112 8.1244 8.1327 8.1638 8.1639 8.2632 8.3050 8.3349 8.3350 8.3642 8.3643 8.3915 8.4061 8.4503 8.4504 8.5603 8.5684 8.5684 8.5813 9.1806 9.1806 10.4876 10.4876 k = 0.3000 0.1710 0.1203 ( 4552 PWs) bands (ev): -14.6207 -14.6207 -14.0448 -14.0448 -9.9649 -9.9649 -9.7375 -9.7226 -9.2581 -9.2581 -9.0848 -9.0673 -3.0918 -3.0918 -1.2507 -1.2507 1.4706 1.4706 2.1145 2.1488 2.5018 2.5018 2.6158 2.6158 3.1464 3.1464 3.1675 3.2048 4.1271 4.1271 4.3231 4.3290 4.6614 4.6614 4.9029 4.9194 5.8455 5.8455 6.0352 6.0352 6.4850 6.4850 6.5110 6.5161 6.7213 6.7213 6.7375 6.7476 7.4831 7.4831 7.6109 7.6110 8.1181 8.1278 8.1549 8.1551 8.2670 8.3108 8.3351 8.3351 8.3518 8.3519 8.3770 8.3919 8.4337 8.4337 8.5564 8.5675 8.5675 8.5791 9.1808 9.1808 10.4959 10.4959 k = 0.2857 0.1628 0.1146 ( 4564 PWs) bands (ev): -14.6371 -14.6371 -14.0259 -14.0259 -9.9838 -9.9838 -9.7551 -9.7407 -9.2337 -9.2336 -9.0623 -9.0453 -3.1386 -3.1386 -1.1730 -1.1730 1.4147 1.4147 2.0633 2.0963 2.4668 2.4668 2.6163 2.6163 3.1558 3.1558 3.1634 3.1986 4.1548 4.1548 4.3460 4.3523 4.7061 4.7061 4.9592 4.9761 5.8436 5.8436 6.0402 6.0402 6.4785 6.4785 6.5046 6.5094 6.7225 6.7225 6.7386 6.7487 7.4488 7.4489 7.6116 7.6116 8.1118 8.1230 8.1461 8.1462 8.2704 8.3162 8.3291 8.3292 8.3467 8.3467 8.3625 8.3777 8.4195 8.4195 8.5520 8.5664 8.5664 8.5764 9.1796 9.1796 10.5062 10.5062 k = 0.2714 0.1547 0.1088 ( 4540 PWs) bands (ev): -14.6528 -14.6528 -14.0076 -14.0076 -10.0020 -10.0020 -9.7719 -9.7581 -9.2098 -9.2098 -9.0403 -9.0238 -3.1835 -3.1835 -1.0951 -1.0951 1.3612 1.3612 2.0137 2.0453 2.4284 2.4284 2.6168 2.6168 3.1577 3.1617 3.1617 3.1910 4.1846 4.1846 4.3697 4.3762 4.7517 4.7517 5.0161 5.0333 5.8421 5.8421 6.0444 6.0444 6.4727 6.4727 6.4987 6.5031 6.7225 6.7225 6.7385 6.7488 7.4141 7.4141 7.6133 7.6133 8.1059 8.1184 8.1375 8.1376 8.2734 8.3194 8.3195 8.3211 8.3466 8.3466 8.3486 8.3638 8.4077 8.4077 8.5475 8.5653 8.5653 8.5733 9.1769 9.1769 10.5182 10.5182 k = 0.2571 0.1465 0.1031 ( 4540 PWs) bands (ev): -14.6678 -14.6678 -13.9899 -13.9899 -10.0194 -10.0194 -9.7880 -9.7748 -9.1867 -9.1867 -9.0190 -9.0031 -3.2266 -3.2266 -1.0173 -1.0173 1.3104 1.3104 1.9658 1.9960 2.3866 2.3866 2.6174 2.6174 3.1509 3.1647 3.1648 3.1822 4.2158 4.2158 4.3936 4.4003 4.7980 4.7980 5.0732 5.0906 5.8411 5.8411 6.0476 6.0476 6.4673 6.4673 6.4932 6.4974 6.7213 6.7213 6.7373 6.7476 7.3795 7.3795 7.6159 7.6159 8.1000 8.1137 8.1288 8.1289 8.2756 8.3097 8.3098 8.3251 8.3353 8.3473 8.3473 8.3504 8.3979 8.3979 8.5426 8.5640 8.5640 8.5698 9.1729 9.1729 10.5315 10.5315 k = 0.2429 0.1384 0.0974 ( 4540 PWs) bands (ev): -14.6821 -14.6821 -13.9729 -13.9729 -10.0360 -10.0360 -9.8033 -9.7908 -9.1643 -9.1643 -8.9985 -8.9832 -3.2678 -3.2678 -0.9397 -0.9397 1.2623 1.2624 1.9198 1.9484 2.3417 2.3417 2.6179 2.6179 3.1432 3.1653 3.1654 3.1725 4.2476 4.2476 4.4175 4.4243 4.8449 4.8449 5.1304 5.1479 5.8405 5.8405 6.0499 6.0499 6.4624 6.4624 6.4882 6.4921 6.7187 6.7187 6.7348 6.7452 7.3459 7.3459 7.6194 7.6194 8.0943 8.1091 8.1201 8.1202 8.2764 8.3007 8.3008 8.3235 8.3253 8.3405 8.3480 8.3480 8.3900 8.3900 8.5375 8.5626 8.5626 8.5660 9.1677 9.1677 10.5459 10.5459 k = 0.2286 0.1303 0.0917 ( 4546 PWs) bands (ev): -14.6958 -14.6958 -13.9566 -13.9566 -10.0517 -10.0517 -9.8178 -9.8059 -9.1429 -9.1429 -8.9787 -8.9641 -3.3070 -3.3070 -0.8626 -0.8626 1.2174 1.2174 1.8757 1.9028 2.2936 2.2936 2.6185 2.6185 3.1350 3.1624 3.1640 3.1640 4.2795 4.2795 4.4411 4.4479 4.8922 4.8922 5.1873 5.2049 5.8404 5.8404 6.0513 6.0513 6.4581 6.4581 6.4837 6.4873 6.7149 6.7149 6.7311 6.7416 7.3138 7.3138 7.6239 7.6239 8.0888 8.1045 8.1114 8.1115 8.2746 8.2921 8.2922 8.3144 8.3165 8.3394 8.3484 8.3484 8.3841 8.3841 8.5324 8.5613 8.5613 8.5619 9.1614 9.1614 10.5610 10.5610 k = 0.2143 0.1221 0.0859 ( 4546 PWs) bands (ev): -14.7087 -14.7087 -13.9411 -13.9411 -10.0665 -10.0665 -9.8315 -9.8203 -9.1223 -9.1223 -8.9597 -8.9458 -3.3442 -3.3442 -0.7862 -0.7862 1.1759 1.1759 1.8337 1.8593 2.2425 2.2425 2.6192 2.6192 3.1264 3.1519 3.1612 3.1612 4.3109 4.3109 4.4642 4.4710 4.9396 4.9396 5.2437 5.2613 5.8406 5.8406 6.0517 6.0517 6.4542 6.4542 6.4797 6.4830 6.7099 6.7099 6.7262 6.7367 7.2836 7.2836 7.6293 7.6293 8.0834 8.1000 8.1028 8.1029 8.2692 8.2837 8.2838 8.3039 8.3093 8.3420 8.3487 8.3487 8.3798 8.3799 8.5273 8.5577 8.5601 8.5601 9.1540 9.1540 10.5767 10.5767 k = 0.2000 0.1140 0.0802 ( 4567 PWs) bands (ev): -14.7209 -14.7209 -13.9263 -13.9263 -10.0805 -10.0805 -9.8444 -9.8338 -9.1027 -9.1027 -8.9417 -8.9285 -3.3793 -3.3793 -0.7108 -0.7108 1.1380 1.1380 1.7938 1.8179 2.1886 2.1886 2.6199 2.6199 3.1177 3.1414 3.1573 3.1573 4.3414 4.3414 4.4866 4.4932 4.9870 4.9870 5.2993 5.3167 5.8413 5.8413 6.0513 6.0513 6.4507 6.4507 6.4761 6.4791 6.7036 6.7036 6.7200 6.7306 7.2558 7.2558 7.6354 7.6354 8.0783 8.0941 8.0942 8.0954 8.2606 8.2755 8.2756 8.2908 8.3076 8.3448 8.3488 8.3489 8.3770 8.3770 8.5223 8.5532 8.5588 8.5588 9.1456 9.1456 10.5926 10.5926 k = 0.1857 0.1058 0.0745 ( 4579 PWs) bands (ev): -14.7324 -14.7324 -13.9124 -13.9124 -10.0935 -10.0935 -9.8564 -9.8465 -9.0842 -9.0842 -8.9246 -8.9121 -3.4122 -3.4122 -0.6368 -0.6368 1.1040 1.1040 1.7564 1.7788 2.1320 2.1321 2.6206 2.6206 3.1091 3.1310 3.1526 3.1526 4.3706 4.3706 4.5080 4.5145 5.0339 5.0339 5.3538 5.3710 5.8422 5.8422 6.0500 6.0500 6.4477 6.4477 6.4729 6.4757 6.6962 6.6962 6.7128 6.7233 7.2304 7.2304 7.6424 7.6424 8.0733 8.0855 8.0856 8.0909 8.2503 8.2674 8.2675 8.2779 8.3082 8.3475 8.3492 8.3493 8.3751 8.3751 8.5176 8.5488 8.5578 8.5578 9.1364 9.1364 10.6085 10.6085 k = 0.1714 0.0977 0.0687 ( 4585 PWs) bands (ev): -14.7430 -14.7430 -13.8993 -13.8993 -10.1057 -10.1057 -9.8676 -9.8584 -9.0667 -9.0667 -8.9084 -8.8968 -3.4429 -3.4429 -0.5646 -0.5646 1.0744 1.0744 1.7213 1.7421 2.0732 2.0732 2.6214 2.6214 3.1007 3.1208 3.1475 3.1475 4.3982 4.3982 4.5285 4.5346 5.0801 5.0801 5.4070 5.4238 5.8435 5.8435 6.0481 6.0481 6.4451 6.4451 6.4702 6.4727 6.6878 6.6878 6.7045 6.7149 7.2077 7.2077 7.6500 7.6500 8.0685 8.0769 8.0771 8.0863 8.2396 8.2595 8.2596 8.2654 8.3098 8.3498 8.3499 8.3499 8.3741 8.3742 8.5133 8.5444 8.5569 8.5569 9.1265 9.1265 10.6243 10.6243 k = 0.1571 0.0895 0.0630 ( 4579 PWs) bands (ev): -14.7529 -14.7529 -13.8872 -13.8872 -10.1169 -10.1169 -9.8778 -9.8694 -9.0505 -9.0505 -8.8933 -8.8826 -3.4713 -3.4713 -0.4948 -0.4948 1.0494 1.0494 1.6888 1.7080 2.0125 2.0125 2.6222 2.6222 3.0927 3.1110 3.1420 3.1420 4.4241 4.4241 4.5477 4.5535 5.1251 5.1251 5.4585 5.4748 5.8452 5.8452 6.0456 6.0456 6.4428 6.4428 6.4678 6.4701 6.6784 6.6784 6.6952 6.7054 7.1876 7.1876 7.6581 7.6582 8.0641 8.0687 8.0688 8.0818 8.2292 8.2519 8.2520 8.2535 8.3120 8.3505 8.3505 8.3516 8.3740 8.3741 8.5094 8.5400 8.5561 8.5562 9.1160 9.1160 10.6396 10.6396 k = 0.1429 0.0814 0.0573 ( 4573 PWs) bands (ev): -14.7619 -14.7619 -13.8759 -13.8759 -10.1272 -10.1272 -9.8872 -9.8795 -9.0354 -9.0354 -8.8793 -8.8694 -3.4974 -3.4974 -0.4278 -0.4278 1.0294 1.0294 1.6588 1.6764 1.9501 1.9501 2.6231 2.6231 3.0851 3.1017 3.1366 3.1366 4.4480 4.4480 4.5657 4.5711 5.1685 5.1685 5.5080 5.5237 5.8471 5.8471 6.0427 6.0427 6.4409 6.4409 6.4658 6.4679 6.6683 6.6683 6.6851 6.6951 7.1700 7.1700 7.6667 7.6667 8.0599 8.0607 8.0608 8.0773 8.2194 8.2423 8.2447 8.2447 8.3144 8.3510 8.3511 8.3529 8.3744 8.3744 8.5061 8.5357 8.5556 8.5556 9.1053 9.1053 10.6544 10.6544 k = 0.1286 0.0733 0.0516 ( 4573 PWs) bands (ev): -14.7702 -14.7702 -13.8657 -13.8657 -10.1365 -10.1365 -9.8957 -9.8887 -9.0216 -9.0216 -8.8665 -8.8575 -3.5212 -3.5212 -0.3644 -0.3644 1.0148 1.0148 1.6316 1.6475 1.8867 1.8867 2.6239 2.6239 3.0781 3.0930 3.1312 3.1312 4.4698 4.4698 4.5822 4.5872 5.2097 5.2097 5.5550 5.5700 5.8492 5.8492 6.0395 6.0395 6.4392 6.4392 6.4641 6.4659 6.6577 6.6577 6.6745 6.6841 7.1548 7.1548 7.6753 7.6753 8.0531 8.0532 8.0561 8.0729 8.2104 8.2318 8.2378 8.2379 8.3169 8.3514 8.3514 8.3536 8.3752 8.3753 8.5033 8.5315 8.5551 8.5551 9.0944 9.0944 10.6683 10.6683 k = 0.1143 0.0651 0.0458 ( 4561 PWs) bands (ev): -14.7776 -14.7776 -13.8564 -13.8564 -10.1449 -10.1449 -9.9033 -9.8970 -9.0091 -9.0091 -8.8548 -8.8467 -3.5426 -3.5426 -0.3052 -0.3052 1.0058 1.0058 1.6071 1.6213 1.8227 1.8227 2.6247 2.6247 3.0717 3.0849 3.1261 3.1261 4.4895 4.4895 4.5972 4.6018 5.2485 5.2485 5.5993 5.6134 5.8516 5.8516 6.0361 6.0361 6.4378 6.4378 6.4627 6.4643 6.6469 6.6469 6.6635 6.6726 7.1420 7.1420 7.6840 7.6840 8.0460 8.0461 8.0527 8.0685 8.2024 8.2221 8.2316 8.2317 8.3196 8.3515 8.3515 8.3537 8.3765 8.3766 8.5011 8.5275 8.5548 8.5548 9.0836 9.0836 10.6813 10.6813 k = 0.1000 0.0570 0.0401 ( 4561 PWs) bands (ev): -14.7841 -14.7841 -13.8482 -13.8482 -10.1523 -10.1523 -9.9099 -9.9045 -8.9980 -8.9980 -8.8443 -8.8372 -3.5616 -3.5616 -0.2510 -0.2510 1.0028 1.0028 1.5855 1.5979 1.7590 1.7590 2.6254 2.6254 3.0660 3.0775 3.1214 3.1214 4.5070 4.5070 4.6107 4.6148 5.2841 5.2841 5.6404 5.6534 5.8540 5.8540 6.0327 6.0327 6.4366 6.4366 6.4616 6.4630 6.6361 6.6361 6.6524 6.6609 7.1312 7.1312 7.6924 7.6924 8.0394 8.0394 8.0496 8.0643 8.1954 8.2133 8.2259 8.2260 8.3222 8.3514 8.3514 8.3534 8.3780 8.3780 8.4995 8.5236 8.5546 8.5546 9.0732 9.0732 10.6932 10.6932 k = 0.0857 0.0488 0.0344 ( 4555 PWs) bands (ev): -14.7898 -14.7898 -13.8410 -13.8410 -10.1588 -10.1588 -9.9157 -9.9110 -8.9883 -8.9883 -8.8351 -8.8289 -3.5781 -3.5781 -0.2026 -0.2026 1.0058 1.0058 1.5667 1.5774 1.6963 1.6963 2.6261 2.6261 3.0610 3.0709 3.1171 3.1171 4.5222 4.5222 4.6226 4.6261 5.3163 5.3163 5.6777 5.6894 5.8566 5.8566 6.0295 6.0295 6.4356 6.4356 6.4606 6.4618 6.6257 6.6257 6.6416 6.6494 7.1223 7.1223 7.7004 7.7004 8.0334 8.0335 8.0470 8.0601 8.1895 8.2053 8.2209 8.2209 8.3249 8.3511 8.3511 8.3525 8.3796 8.3796 8.4985 8.5200 8.5544 8.5544 9.0635 9.0635 10.7038 10.7038 k = 0.0714 0.0407 0.0286 ( 4558 PWs) bands (ev): -14.7946 -14.7946 -13.8349 -13.8349 -10.1642 -10.1642 -9.9205 -9.9165 -8.9800 -8.9800 -8.8271 -8.8220 -3.5921 -3.5921 -0.1605 -0.1605 1.0144 1.0144 1.5509 1.5598 1.6358 1.6358 2.6268 2.6268 3.0569 3.0651 3.1134 3.1134 4.5352 4.5352 4.6328 4.6357 5.3444 5.3444 5.7109 5.7211 5.8590 5.8590 6.0266 6.0266 6.4347 6.4347 6.4598 6.4609 6.6161 6.6161 6.6316 6.6384 7.1151 7.1151 7.7077 7.7077 8.0281 8.0282 8.0448 8.0562 8.1847 8.1983 8.2165 8.2165 8.3276 8.3508 8.3508 8.3512 8.3812 8.3812 8.4981 8.5165 8.5544 8.5544 9.0546 9.0546 10.7130 10.7130 k = 0.0571 0.0326 0.0229 ( 4564 PWs) bands (ev): -14.7986 -14.7986 -13.8299 -13.8299 -10.1687 -10.1687 -9.9243 -9.9212 -8.9731 -8.9731 -8.8205 -8.8164 -3.6036 -3.6036 -0.1255 -0.1255 1.0277 1.0277 1.5381 1.5452 1.5791 1.5791 2.6273 2.6273 3.0537 3.0602 3.1103 3.1103 4.5457 4.5457 4.6412 4.6436 5.3680 5.3680 5.7393 5.7478 5.8613 5.8614 6.0241 6.0241 6.4339 6.4339 6.4592 6.4601 6.6075 6.6075 6.6226 6.6284 7.1095 7.1095 7.7139 7.7139 8.0236 8.0237 8.0432 8.0526 8.1811 8.1922 8.2129 8.2129 8.3302 8.3496 8.3503 8.3503 8.3827 8.3827 8.4982 8.5133 8.5544 8.5544 9.0467 9.0468 10.7206 10.7206 k = 0.0429 0.0244 0.0172 ( 4564 PWs) bands (ev): -14.8017 -14.8017 -13.8259 -13.8259 -10.1722 -10.1722 -9.9272 -9.9249 -8.9678 -8.9678 -8.8152 -8.8121 -3.6126 -3.6126 -0.0979 -0.0979 1.0442 1.0442 1.5282 1.5285 1.5285 1.5336 2.6277 2.6277 3.0513 3.0562 3.1078 3.1078 4.5540 4.5540 4.6479 4.6496 5.3869 5.3869 5.7623 5.7690 5.8634 5.8634 6.0220 6.0220 6.4333 6.4333 6.4588 6.4594 6.6004 6.6004 6.6153 6.6198 7.1053 7.1053 7.7190 7.7190 8.0202 8.0202 8.0423 8.0495 8.1787 8.1871 8.2100 8.2100 8.3329 8.3477 8.3500 8.3500 8.3839 8.3839 8.4988 8.5103 8.5544 8.5544 9.0405 9.0405 10.7267 10.7267 k = 0.0286 0.0163 0.0115 ( 4573 PWs) bands (ev): -14.8039 -14.8039 -13.8231 -13.8231 -10.1747 -10.1747 -9.9292 -9.9276 -8.9640 -8.9640 -8.8113 -8.8092 -3.6190 -3.6190 -0.0780 -0.0780 1.0609 1.0609 1.4871 1.4871 1.5215 1.5251 2.6280 2.6280 3.0498 3.0530 3.1060 3.1060 4.5599 4.5599 4.6527 4.6539 5.4006 5.4006 5.7796 5.7842 5.8649 5.8649 6.0204 6.0204 6.4328 6.4328 6.4585 6.4589 6.5951 6.5951 6.6099 6.6130 7.1024 7.1024 7.7228 7.7228 8.0176 8.0176 8.0419 8.0468 8.1773 8.1830 8.2079 8.2079 8.3355 8.3455 8.3496 8.3496 8.3848 8.3848 8.4998 8.5076 8.5544 8.5544 9.0358 9.0358 10.7311 10.7311 k = 0.0143 0.0081 0.0057 ( 4567 PWs) bands (ev): -14.8052 -14.8052 -13.8214 -13.8214 -10.1762 -10.1762 -9.9303 -9.9295 -8.9617 -8.9617 -8.8087 -8.8077 -3.6229 -3.6229 -0.0661 -0.0661 1.0739 1.0739 1.4593 1.4593 1.5178 1.5195 2.6282 2.6282 3.0492 3.0508 3.1049 3.1049 4.5634 4.5634 4.6558 4.6564 5.4089 5.4089 5.7907 5.7930 5.8659 5.8659 6.0195 6.0195 6.4326 6.4326 6.4583 6.4586 6.5919 6.5919 6.6069 6.6085 7.1006 7.1006 7.7252 7.7252 8.0161 8.0161 8.0422 8.0446 8.1771 8.1800 8.2067 8.2067 8.3381 8.3431 8.3494 8.3494 8.3854 8.3855 8.5013 8.5052 8.5544 8.5544 9.0330 9.0330 10.7337 10.7337 k = 0.0000 0.0000 0.0000 ( 4555 PWs) bands (ev): -14.8057 -14.8057 -13.8209 -13.8209 -10.1767 -10.1767 -9.9303 -9.9303 -8.9609 -8.9609 -8.8075 -8.8075 -3.6242 -3.6242 -0.0621 -0.0621 1.0789 1.0789 1.4493 1.4493 1.5171 1.5171 2.6283 2.6283 3.0495 3.0495 3.1046 3.1046 4.5646 4.5646 4.6570 4.6570 5.4117 5.4117 5.7952 5.7952 5.8663 5.8663 6.0192 6.0192 6.4325 6.4325 6.4584 6.4584 6.5908 6.5908 6.6064 6.6064 7.1001 7.1001 7.7260 7.7260 8.0156 8.0156 8.0431 8.0431 8.1781 8.1781 8.2063 8.2063 8.3407 8.3407 8.3494 8.3494 8.3857 8.3857 8.5031 8.5031 8.5544 8.5544 9.0320 9.0320 10.7347 10.7347 k = 0.0000 0.0000 0.0000 ( 4555 PWs) bands (ev): -14.8057 -14.8057 -13.8209 -13.8209 -10.1767 -10.1767 -9.9303 -9.9303 -8.9609 -8.9609 -8.8075 -8.8075 -3.6242 -3.6242 -0.0621 -0.0621 1.0789 1.0789 1.4493 1.4493 1.5171 1.5171 2.6283 2.6283 3.0495 3.0495 3.1046 3.1046 4.5646 4.5646 4.6570 4.6570 5.4117 5.4117 5.7952 5.7952 5.8663 5.8663 6.0192 6.0192 6.4325 6.4325 6.4584 6.4584 6.5908 6.5908 6.6064 6.6064 7.1001 7.1001 7.7260 7.7260 8.0156 8.0156 8.0431 8.0431 8.1781 8.1781 8.2063 8.2063 8.3407 8.3407 8.3494 8.3494 8.3857 8.3857 8.5031 8.5031 8.5544 8.5544 9.0320 9.0320 10.7347 10.7347 k = 0.0087-0.0052-0.0144 ( 4571 PWs) bands (ev): -14.8064 -14.8041 -13.8235 -13.8193 -10.1806 -10.1719 -9.9299 -9.9299 -8.9654 -8.9581 -8.8082 -8.8082 -3.6240 -3.6212 -0.0639 -0.0578 1.0572 1.0850 1.4108 1.4205 1.5596 1.5608 2.6274 2.6299 3.0498 3.0498 3.1044 3.1054 4.5617 4.5652 4.6560 4.6560 5.3952 5.4227 5.7914 5.7921 5.8598 5.8728 6.0021 6.0112 6.4297 6.4420 6.4634 6.4667 6.5890 6.5907 6.6055 6.6057 7.1014 7.1033 7.7245 7.7320 8.0155 8.0165 8.0436 8.0436 8.1785 8.1785 8.2059 8.2073 8.3405 8.3406 8.3475 8.3514 8.3856 8.3860 8.5030 8.5030 8.5529 8.5559 9.0248 9.0421 10.7349 10.7357 k = 0.0174-0.0103-0.0287 ( 4569 PWs) bands (ev): -14.8061 -14.8016 -13.8271 -13.8188 -10.1836 -10.1663 -9.9287 -9.9286 -8.9716 -8.9569 -8.8105 -8.8103 -3.6208 -3.6151 -0.0634 -0.0510 1.0200 1.0747 1.3636 1.3832 1.6303 1.6317 2.6274 2.6324 3.0505 3.0507 3.1050 3.1070 4.5563 4.5634 4.6528 4.6532 5.3733 5.4283 5.7792 5.7839 5.8540 5.8786 5.9651 5.9799 6.4337 6.4457 6.4802 6.4959 6.5841 6.5881 6.6040 6.6051 7.1073 7.1114 7.7276 7.7424 8.0164 8.0185 8.0453 8.0454 8.1799 8.1800 8.2066 8.2092 8.3401 8.3405 8.3460 8.3536 8.3859 8.3867 8.5028 8.5030 8.5515 8.5575 9.0206 9.0549 10.7366 10.7383 k = 0.0261-0.0155-0.0431 ( 4571 PWs) bands (ev): -14.8050 -14.7982 -13.8318 -13.8194 -10.1856 -10.1600 -9.9268 -9.9264 -8.9796 -8.9573 -8.8144 -8.8136 -3.6144 -3.6060 -0.0608 -0.0418 0.9686 1.0471 1.3299 1.3580 1.7077 1.7086 2.6282 2.6356 3.0514 3.0520 3.1067 3.1095 4.5485 4.5592 4.6474 4.6488 5.3460 5.4282 5.7583 5.7718 5.8482 5.8829 5.9152 5.9326 6.4372 6.4468 6.5087 6.5348 6.5752 6.5812 6.6043 6.6065 7.1178 7.1247 7.7350 7.7566 8.0181 8.0212 8.0479 8.0485 8.1821 8.1825 8.2084 8.2117 8.3390 8.3405 8.3448 8.3558 8.3867 8.3877 8.5025 8.5030 8.5502 8.5590 9.0192 9.0706 10.7397 10.7423 k = 0.0348-0.0206-0.0574 ( 4571 PWs) bands (ev): -14.8029 -14.7939 -13.8374 -13.8211 -10.1867 -10.1530 -9.9241 -9.9231 -8.9895 -8.9592 -8.8199 -8.8180 -3.6049 -3.5938 -0.0567 -0.0303 0.9067 1.0040 1.3117 1.3446 1.7859 1.7904 2.6297 2.6396 3.0520 3.0534 3.1099 3.1132 4.5381 4.5528 4.6395 4.6429 5.3134 5.4221 5.7291 5.7556 5.8394 5.8589 5.8745 5.8892 6.4392 6.4478 6.5415 6.5591 6.5710 6.5785 6.6072 6.6105 7.1332 7.1438 7.7464 7.7741 8.0206 8.0248 8.0515 8.0529 8.1849 8.1858 8.2114 8.2149 8.3374 8.3409 8.3442 8.3581 8.3879 8.3890 8.5019 8.5032 8.5491 8.5605 9.0206 9.0887 10.7444 10.7477 k = 0.0435-0.0258-0.0718 ( 4569 PWs) bands (ev): -14.8000 -14.7887 -13.8440 -13.8238 -10.1868 -10.1453 -9.9208 -9.9188 -9.0013 -8.9628 -8.8269 -8.8232 -3.5924 -3.5785 -0.0516 -0.0171 0.8383 0.9507 1.3061 1.3405 1.8651 1.8742 2.6319 2.6443 3.0519 3.0547 3.1151 3.1187 4.5249 4.5443 4.6292 4.6356 5.2753 5.4097 5.6919 5.7336 5.7999 5.8050 5.8429 5.8892 6.4404 6.4487 6.5436 6.5523 6.5802 6.6044 6.6154 6.6251 7.1540 7.1691 7.7612 7.7942 8.0237 8.0290 8.0559 8.0588 8.1882 8.1899 8.2159 8.2185 8.3354 8.3417 8.3442 8.3605 8.3898 8.3909 8.5011 8.5034 8.5480 8.5619 9.0246 9.1093 10.7505 10.7547 k = 0.0522-0.0309-0.0862 ( 4567 PWs) bands (ev): -14.7961 -14.7826 -13.8516 -13.8275 -10.1860 -10.1371 -9.9167 -9.9134 -9.0150 -8.9680 -8.8354 -8.8293 -3.5767 -3.5602 -0.0464 -0.0026 0.7668 0.8927 1.3092 1.3434 1.9443 1.9589 2.6346 2.6496 3.0511 3.0555 3.1225 3.1262 4.5086 4.5339 4.6160 4.6274 5.2318 5.3907 5.6465 5.6990 5.7409 5.7531 5.8331 5.8896 6.4412 6.4498 6.5268 6.5372 6.6000 6.6111 6.6338 6.6568 7.1801 7.2008 7.7787 7.8162 8.0275 8.0337 8.0610 8.0662 8.1917 8.1947 8.2216 8.2225 8.3329 8.3422 8.3455 8.3632 8.3919 8.3934 8.5002 8.5038 8.5471 8.5631 9.0312 9.1319 10.7584 10.7632 k = 0.0609-0.0361-0.1005 ( 4563 PWs) bands (ev): -14.7914 -14.7757 -13.8601 -13.8323 -10.1842 -10.1284 -9.9120 -9.9068 -9.0309 -8.9749 -8.8453 -8.8360 -3.5580 -3.5390 -0.0421 0.0119 0.6954 0.8344 1.3182 1.3518 2.0233 2.0437 2.6378 2.6553 3.0494 3.0558 3.1320 3.1361 4.4891 4.5217 4.6001 4.6182 5.1831 5.3645 5.5933 5.6466 5.6799 5.7162 5.8254 5.8889 6.4417 6.4507 6.5091 6.5203 6.6085 6.6156 6.6604 6.6862 7.2116 7.2385 7.7984 7.8395 8.0318 8.0388 8.0668 8.0752 8.1954 8.2001 8.2261 8.2293 8.3303 8.3423 8.3486 8.3665 8.3942 8.3973 8.4990 8.5043 8.5461 8.5642 9.0399 9.1563 10.7680 10.7735 k = 0.0695-0.0412-0.1149 ( 4557 PWs) bands (ev): -14.7858 -14.7679 -13.8694 -13.8381 -10.1815 -10.1193 -9.9067 -9.8989 -9.0487 -8.9835 -8.8563 -8.8432 -3.5363 -3.5147 -0.0401 0.0249 0.6266 0.7787 1.3318 1.3647 2.1015 2.1281 2.6413 2.6614 3.0471 3.0556 3.1436 3.1484 4.4661 4.5078 4.5811 4.6083 5.1293 5.3304 5.5342 5.5851 5.6216 5.6842 5.8185 5.8870 6.4420 6.4514 6.4918 6.5029 6.6133 6.6199 6.6862 6.7105 7.2480 7.2815 7.8198 7.8636 8.0364 8.0442 8.0731 8.0856 8.1993 8.2061 8.2299 8.2375 8.3276 8.3424 8.3529 8.3704 8.3968 8.4026 8.4978 8.5050 8.5452 8.5651 9.0506 9.1822 10.7793 10.7855 k = 0.0782-0.0464-0.1292 ( 4555 PWs) bands (ev): -14.7793 -14.7592 -13.8796 -13.8450 -10.1778 -10.1099 -9.9007 -9.8897 -9.0686 -8.9940 -8.8685 -8.8508 -3.5115 -3.4876 -0.0419 0.0338 0.5638 0.7283 1.3493 1.3815 2.1786 2.2116 2.6451 2.6677 3.0444 3.0552 3.1572 3.1630 4.4394 4.4925 4.5591 4.5978 5.0710 5.2875 5.4719 5.5223 5.5654 5.6507 5.8125 5.8840 6.4420 6.4512 6.4759 6.4858 6.6168 6.6238 6.7086 6.7299 7.2887 7.3285 7.8422 7.8880 8.0415 8.0498 8.0798 8.0974 8.2034 8.2127 8.2334 8.2463 8.3249 8.3426 8.3584 8.3750 8.4004 8.4101 8.4966 8.5057 8.5442 8.5659 9.0629 9.2092 10.7927 10.7994 k = 0.0869-0.0515-0.1436 ( 4553 PWs) bands (ev): -14.7720 -14.7498 -13.8907 -13.8528 -10.1734 -10.1002 -9.8940 -9.8792 -9.0905 -9.0064 -8.8814 -8.8588 -3.4838 -3.4575 -0.0495 0.0352 0.5108 0.6854 1.3701 1.4020 2.2543 2.2938 2.6489 2.6740 3.0417 3.0549 3.1724 3.1798 4.4089 4.4756 4.5339 4.5871 5.0086 5.2353 5.4084 5.4615 5.5103 5.6143 5.8072 5.8799 6.4416 6.4480 6.4639 6.4693 6.6194 6.6271 6.7271 6.7449 7.3326 7.3782 7.8653 7.9125 8.0468 8.0556 8.0869 8.1104 8.2077 8.2198 8.2363 8.2550 8.3224 8.3430 8.3648 8.3798 8.4056 8.4205 8.4954 8.5064 8.5432 8.5665 9.0765 9.2369 10.8080 10.8151 k = 0.0956-0.0567-0.1579 ( 4559 PWs) bands (ev): -14.7639 -14.7396 -13.9024 -13.8615 -10.1681 -10.0904 -9.8866 -9.8673 -9.1142 -9.0208 -8.8950 -8.8672 -3.4531 -3.4247 -0.0644 0.0246 0.4721 0.6518 1.3942 1.4259 2.3283 2.3742 2.6527 2.6801 3.0392 3.0547 3.1892 3.1987 4.3746 4.4568 4.5058 4.5762 4.9428 5.1743 5.3444 5.4043 5.4563 5.5746 5.8027 5.8748 6.4374 6.4417 6.4539 6.4592 6.6211 6.6297 6.7422 6.7564 7.3789 7.4292 7.8887 7.9366 8.0522 8.0615 8.0942 8.1243 8.2119 8.2274 8.2387 8.2630 8.3205 8.3436 8.3718 8.3840 8.4137 8.4344 8.4945 8.5073 8.5421 8.5669 9.0911 9.2649 10.8253 10.8328 k = 0.1043-0.0618-0.1723 ( 4551 PWs) bands (ev): -14.7549 -14.7286 -13.9149 -13.8712 -10.1622 -10.0805 -9.8785 -9.8539 -9.1397 -9.0373 -8.9090 -8.8758 -3.4196 -3.3890 -0.0878 -0.0013 0.4510 0.6287 1.4215 1.4532 2.4003 2.4523 2.6565 2.6858 3.0371 3.0551 3.2073 3.2193 4.3365 4.4354 4.4753 4.5653 4.8746 5.1059 5.2805 5.3500 5.4040 5.5321 5.7986 5.8688 6.4257 6.4367 6.4429 6.4579 6.6220 6.6313 6.7543 6.7651 7.4265 7.4804 7.9119 7.9603 8.0579 8.0676 8.1018 8.1389 8.2161 8.2355 8.2406 8.2701 8.3194 8.3444 8.3789 8.3871 8.4257 8.4521 8.4942 8.5082 8.5413 8.5674 9.1064 9.2929 10.8448 10.8525 k = 0.1130-0.0670-0.1867 ( 4547 PWs) bands (ev): -14.7452 -14.7168 -13.9281 -13.8818 -10.1556 -10.0706 -9.8696 -9.8390 -9.1669 -9.0558 -8.9233 -8.8849 -3.3831 -3.3506 -0.1201 -0.0425 0.4474 0.6164 1.4520 1.4840 2.4698 2.5272 2.6608 2.6912 3.0359 3.0562 3.2263 3.2416 4.2947 4.4093 4.4444 4.5547 4.8050 5.0318 5.2170 5.2968 5.3547 5.4870 5.7948 5.8620 6.4140 6.4242 6.4405 6.4571 6.6219 6.6318 6.7638 6.7715 7.4747 7.5308 7.9348 7.9832 8.0636 8.0738 8.1096 8.1537 8.2199 8.2419 8.2443 8.2762 8.3194 8.3453 8.3849 8.3903 8.4419 8.4723 8.4955 8.5093 8.5409 8.5679 9.1221 9.3205 10.8664 10.8742 k = 0.1217-0.0721-0.2010 ( 4549 PWs) bands (ev): -14.7347 -14.7043 -13.9418 -13.8932 -10.1485 -10.0607 -9.8598 -9.8227 -9.1955 -9.0764 -8.9378 -8.8943 -3.3439 -3.3096 -0.1607 -0.0958 0.4582 0.6142 1.4857 1.5180 2.5364 2.5953 2.6683 2.6962 3.0355 3.0584 3.2459 3.2653 4.2496 4.3762 4.4149 4.5444 4.7355 4.9538 5.1543 5.2431 5.3092 5.4400 5.7912 5.8544 6.4033 6.4117 6.4388 6.4561 6.6209 6.6310 6.7711 6.7760 7.5225 7.5794 7.9569 8.0055 8.0694 8.0801 8.1174 8.1681 8.2232 8.2430 8.2532 8.2816 8.3206 8.3465 8.3876 8.3957 8.4619 8.4863 8.5042 8.5129 8.5420 8.5688 9.1378 9.3475 10.8902 10.8980 k = 0.1304-0.0773-0.2154 ( 4553 PWs) bands (ev): -14.7235 -14.6911 -13.9562 -13.9054 -10.1410 -10.0508 -9.8491 -9.8050 -9.2255 -9.0988 -8.9523 -8.9040 -3.3020 -3.2659 -0.2085 -0.1575 0.4792 0.6206 1.5227 1.5555 2.5984 2.6385 2.6944 2.7044 3.0364 3.0616 3.2655 3.2901 4.2014 4.3362 4.3862 4.5347 4.6679 4.8733 5.0925 5.1883 5.2676 5.3917 5.7875 5.8461 6.3937 6.4002 6.4368 6.4547 6.6189 6.6289 6.7765 6.7790 7.5696 7.6258 7.9781 8.0269 8.0751 8.0867 8.1252 8.1816 8.2262 8.2440 8.2626 8.2867 8.3233 8.3479 8.3881 8.4024 8.4831 8.4899 8.5099 8.5296 8.5486 8.5717 9.1534 9.3735 10.9161 10.9237 k = 0.1391-0.0824-0.2297 ( 4557 PWs) bands (ev): -14.7115 -14.6773 -13.9711 -13.9183 -10.1331 -10.0411 -9.8373 -9.7859 -9.2567 -9.1231 -8.9670 -8.9142 -3.2573 -3.2197 -0.2620 -0.2242 0.5070 0.6342 1.5630 1.5963 2.6435 2.6549 2.7119 2.7562 3.0386 3.0663 3.2846 3.3156 4.1507 4.2912 4.3555 4.5254 4.6046 4.7918 5.0315 5.1324 5.2295 5.3429 5.7837 5.8373 6.3851 6.3897 6.4344 6.4528 6.6158 6.6256 6.7801 6.7807 7.6152 7.6695 7.9980 8.0475 8.0808 8.0934 8.1328 8.1934 8.2292 8.2452 8.2722 8.2916 8.3274 8.3499 8.3879 8.4095 8.4894 8.4992 8.5181 8.5427 8.5606 8.5883 9.1687 9.3984 10.9439 10.9515 k = 0.1478-0.0876-0.2441 ( 4557 PWs) bands (ev): -14.6989 -14.6628 -13.9865 -13.9320 -10.1251 -10.0315 -9.8244 -9.7655 -9.2890 -9.1490 -8.9818 -8.9247 -3.2100 -3.1710 -0.3199 -0.2937 0.5391 0.6532 1.6066 1.6405 2.6464 2.6765 2.7463 2.8182 3.0422 3.0724 3.3024 3.3414 4.0982 4.2433 4.3202 4.5154 4.5489 4.7109 4.9708 5.0758 5.1946 5.2945 5.7797 5.8280 6.3775 6.3801 6.4316 6.4503 6.6118 6.6209 6.7807 6.7823 7.6592 7.7104 8.0165 8.0673 8.0865 8.1005 8.1402 8.2025 8.2330 8.2468 8.2818 8.2970 8.3323 8.3525 8.3872 8.4169 8.4901 8.5018 8.5276 8.5628 8.5651 8.6240 9.1835 9.4220 10.9738 10.9811 k = 0.1565-0.0927-0.2585 ( 4559 PWs) bands (ev): -14.6856 -14.6478 -14.0023 -13.9463 -10.1169 -10.0222 -9.8102 -9.7437 -9.3220 -9.1763 -8.9967 -8.9357 -3.1602 -3.1198 -0.3809 -0.3645 0.5740 0.6762 1.6534 1.6879 2.6430 2.6798 2.7967 2.8782 3.0471 3.0801 3.3181 3.3667 4.0446 4.1935 4.2791 4.4902 4.5161 4.6331 4.9101 5.0185 5.1625 5.2474 5.7754 5.8182 6.3708 6.3715 6.4285 6.4473 6.6067 6.6151 6.7796 6.7827 7.7011 7.7482 8.0333 8.0861 8.0924 8.1078 8.1473 8.2086 8.2378 8.2494 8.2912 8.3034 8.3377 8.3562 8.3861 8.4246 8.4901 8.5014 8.5321 8.5643 8.5962 8.6671 9.1976 9.4440 11.0055 11.0126 k = 0.1652-0.0979-0.2728 ( 4561 PWs) bands (ev): -14.6716 -14.6322 -14.0184 -13.9611 -10.1088 -10.0131 -9.7948 -9.7208 -9.3558 -9.2048 -9.0118 -8.9471 -3.1078 -3.0663 -0.4449 -0.4350 0.6104 0.7021 1.7034 1.7384 2.6365 2.6762 2.8486 2.9342 3.0533 3.0898 3.3305 3.3910 3.9909 4.1433 4.2327 4.4474 4.5033 4.5648 4.8491 4.9605 5.1328 5.2027 5.7708 5.8080 6.3637 6.3651 6.4251 6.4438 6.6006 6.6081 6.7771 6.7815 7.7409 7.7830 8.0485 8.0978 8.1045 8.1153 8.1542 8.2123 8.2424 8.2537 8.3002 8.3111 8.3428 8.3609 8.3848 8.4325 8.4894 8.5004 8.5354 8.5645 8.6328 8.7148 9.2110 9.4645 11.0388 11.0457 k = 0.1739-0.1030-0.2872 ( 4551 PWs) bands (ev): -14.6571 -14.6160 -14.0349 -13.9766 -10.1007 -10.0044 -9.7779 -9.6967 -9.3901 -9.2345 -9.0270 -8.9590 -3.0530 -3.0105 -0.5122 -0.5031 0.6475 0.7300 1.7563 1.7919 2.6272 2.6688 2.8985 2.9848 3.0604 3.1019 3.3389 3.4133 3.9383 4.0936 4.1841 4.3987 4.4790 4.5256 4.7876 4.9019 5.1052 5.1616 5.7659 5.7975 6.3568 6.3603 6.4213 6.4398 6.5933 6.6003 6.7731 6.7787 7.7782 7.8150 8.0622 8.1036 8.1215 8.1229 8.1609 8.2150 8.2458 8.2595 8.3089 8.3201 8.3478 8.3667 8.3836 8.4406 8.4878 8.4997 8.5387 8.5644 8.6722 8.7659 9.2235 9.4833 11.0737 11.0803 k = 0.1826-0.1082-0.3015 ( 4553 PWs) bands (ev): -14.6421 -14.5994 -14.0516 -13.9925 -10.0928 -9.9961 -9.7595 -9.6716 -9.4247 -9.2650 -9.0424 -8.9713 -2.9958 -2.9524 -0.5820 -0.5691 0.6848 0.7593 1.8119 1.8479 2.6148 2.6583 2.9454 3.0276 3.0682 3.1178 3.3423 3.4326 3.8880 4.0450 4.1374 4.3389 4.4467 4.5154 4.7257 4.8427 5.0787 5.1256 5.7605 5.7868 6.3507 6.3563 6.4173 6.4353 6.5847 6.5917 6.7675 6.7743 7.8131 7.8444 8.0743 8.1093 8.1303 8.1373 8.1675 8.2176 8.2483 8.2660 8.3174 8.3297 8.3526 8.3728 8.3829 8.4485 8.4853 8.4992 8.5422 8.5641 8.7138 8.8199 9.2351 9.5003 11.1099 11.1160 k = 0.1912-0.1133-0.3159 ( 4551 PWs) bands (ev): -14.6265 -14.5824 -14.0686 -14.0088 -10.0850 -9.9882 -9.7397 -9.6457 -9.4594 -9.2962 -9.0580 -8.9840 -2.9364 -2.8922 -0.6520 -0.6343 0.7218 0.7893 1.8697 1.9063 2.5988 2.6447 2.9884 3.0597 3.0765 3.1393 3.3407 3.4476 3.8415 3.9974 4.0970 4.2726 4.4225 4.5124 4.6643 4.7834 5.0526 5.0961 5.7547 5.7760 6.3454 6.3530 6.4131 6.4304 6.5748 6.5826 6.7604 6.7681 7.8456 7.8713 8.0852 8.1149 8.1374 8.1520 8.1743 8.2210 8.2504 8.2726 8.3254 8.3397 8.3573 8.3789 8.3836 8.4556 8.4829 8.4990 8.5458 8.5637 8.7570 8.8760 9.2458 9.5154 11.1472 11.1526 k = 0.1999-0.1185-0.3303 ( 4553 PWs) bands (ev): -14.6104 -14.5650 -14.0857 -14.0256 -10.0775 -9.9809 -9.7184 -9.6193 -9.4937 -9.3279 -9.0738 -8.9971 -2.8747 -2.8300 -0.7211 -0.6990 0.7582 0.8197 1.9291 1.9665 2.5788 2.6281 3.0261 3.0780 3.0875 3.1659 3.3349 3.4574 3.8000 3.9504 4.0662 4.2064 4.4038 4.5092 4.6059 4.7246 5.0267 5.0735 5.7483 5.7653 6.3407 6.3505 6.4088 6.4252 6.5637 6.5730 6.7516 6.7602 7.8756 7.8963 8.0951 8.1205 8.1441 8.1652 8.1811 8.2253 8.2520 8.2792 8.3325 8.3492 8.3618 8.3844 8.3869 8.4605 8.4816 8.4988 8.5494 8.5632 8.8017 8.9337 9.2553 9.5287 11.1852 11.1894 k = 0.2086-0.1236-0.3446 ( 4553 PWs) bands (ev): -14.5939 -14.5472 -14.1030 -14.0426 -10.0702 -9.9740 -9.6956 -9.5939 -9.5262 -9.3600 -9.0898 -9.0107 -2.8109 -2.7658 -0.7892 -0.7632 0.7937 0.8503 1.9892 2.0277 2.5546 2.6086 3.0552 3.0841 3.1038 3.1936 3.3268 3.4611 3.7642 3.9050 4.0460 4.1445 4.3872 4.4950 4.5608 4.6682 5.0022 5.0571 5.7410 5.7550 6.3367 6.3486 6.4045 6.4199 6.5516 6.5628 6.7411 6.7506 7.9032 7.9195 8.1041 8.1261 8.1504 8.1772 8.1878 8.2307 8.2536 8.2857 8.3380 8.3573 8.3669 8.3907 8.3922 8.4616 8.4833 8.4988 8.5528 8.5627 8.8473 8.9925 9.2637 9.5400 11.2233 11.2259 k = 0.2173-0.1288-0.3590 ( 4545 PWs) bands (ev): -14.5770 -14.5291 -14.1202 -14.0599 -10.0632 -9.9676 -9.6714 -9.5823 -9.5439 -9.3924 -9.1060 -9.0247 -2.7450 -2.6996 -0.8560 -0.8266 0.8282 0.8807 2.0486 2.0890 2.5259 2.5869 3.0706 3.0851 3.1247 3.2186 3.3184 3.4591 3.7336 3.8627 4.0344 4.0908 4.3693 4.4546 4.5439 4.6176 4.9804 5.0456 5.7325 5.7455 6.3332 6.3474 6.4004 6.4145 6.5386 6.5521 6.7289 6.7392 7.9284 7.9414 8.1124 8.1319 8.1568 8.1875 8.1947 8.2370 8.2550 8.2922 8.3412 8.3632 8.3744 8.3974 8.3992 8.4593 8.4866 8.4996 8.5554 8.5626 8.8938 9.0517 9.2708 9.5494 11.2591 11.2622 k = 0.2260-0.1339-0.3733 ( 4547 PWs) bands (ev): -14.5598 -14.5109 -14.1375 -14.0774 -10.0564 -9.9618 -9.6460 -9.6065 -9.5250 -9.4247 -9.1223 -9.0391 -2.6771 -2.6316 -0.9214 -0.8891 0.8616 0.9110 2.1049 2.1486 2.4936 2.5643 3.0696 3.0856 3.1484 3.2392 3.3106 3.4523 3.7070 3.8258 4.0198 4.0569 4.3445 4.4055 4.5341 4.5821 4.9624 5.0385 5.7227 5.7370 6.3302 6.3467 6.3967 6.4093 6.5249 6.5407 6.7150 6.7260 7.9510 7.9626 8.1198 8.1380 8.1632 8.1958 8.2022 8.2436 8.2564 8.2987 8.3418 8.3687 8.3831 8.4028 8.4086 8.4557 8.4888 8.5020 8.5566 8.5632 8.9406 9.1108 9.2767 9.5566 11.2905 11.2972 k = 0.2347-0.1391-0.3877 ( 4545 PWs) bands (ev): -14.5423 -14.4924 -14.1548 -14.0950 -10.0500 -9.9564 -9.6390 -9.6194 -9.4972 -9.4564 -9.1388 -9.0538 -2.6074 -2.5619 -0.9853 -0.9505 0.8937 0.9409 2.1538 2.2029 2.4607 2.5438 3.0574 3.0857 3.1708 3.2552 3.3021 3.4419 3.6833 3.7960 3.9881 4.0559 4.3052 4.3651 4.5114 4.5737 4.9488 5.0354 5.7119 5.7292 6.3274 6.3462 6.3934 6.4046 6.5107 6.5288 6.6995 6.7112 7.9711 7.9832 8.1265 8.1444 8.1697 8.2024 8.2101 8.2502 8.2583 8.3049 8.3408 8.3746 8.3919 8.4078 8.4184 8.4524 8.4890 8.5059 8.5563 8.5647 8.9874 9.1691 9.2813 9.5616 11.3173 11.3266 k = 0.2434-0.1442-0.4020 ( 4541 PWs) bands (ev): -14.5245 -14.4738 -14.1720 -14.1127 -10.0438 -9.9516 -9.6722 -9.5924 -9.4898 -9.4651 -9.1554 -9.0688 -2.5359 -2.4905 -1.0476 -1.0108 0.9245 0.9705 2.1880 2.2425 2.4363 2.5316 3.0403 3.0832 3.1897 3.2668 3.2902 3.4286 3.6627 3.7742 3.9561 4.0686 4.2536 4.3345 4.4885 4.5784 4.9401 5.0364 5.7005 5.7217 6.3246 6.3457 6.3910 6.4007 6.4960 6.5164 6.6824 6.6948 7.9893 8.0032 8.1327 8.1510 8.1764 8.2083 8.2173 8.2559 8.2614 8.3107 8.3393 8.3804 8.4004 8.4125 8.4273 8.4506 8.4881 8.5101 8.5552 8.5662 9.0341 9.2261 9.2847 9.5643 11.3395 11.3491 k = 0.2521-0.1494-0.4164 ( 4545 PWs) bands (ev): -14.5064 -14.4551 -14.1890 -14.1304 -10.0379 -9.9473 -9.7051 -9.5677 -9.5168 -9.4351 -9.1720 -9.0842 -2.4626 -2.4176 -1.1082 -1.0698 0.9539 0.9995 2.1977 2.2496 2.4394 2.5355 3.0212 3.0789 3.2040 3.2720 3.2744 3.4123 3.6478 3.7596 3.9283 4.0878 4.1980 4.3097 4.4731 4.5864 4.9365 5.0412 5.6888 5.7142 6.3217 6.3448 6.3898 6.3982 6.4809 6.5035 6.6638 6.6768 8.0060 8.0223 8.1385 8.1577 8.1832 8.2138 8.2235 8.2594 8.2669 8.3151 8.3385 8.3853 8.4081 8.4166 8.4340 8.4524 8.4867 8.5138 8.5539 8.5673 9.0800 9.2758 9.2921 9.5647 11.3576 11.3667 k = 0.2608-0.1545-0.4308 ( 4547 PWs) bands (ev): -14.4883 -14.4364 -14.2059 -14.1481 -10.0322 -9.9434 -9.7375 -9.5664 -9.5199 -9.4039 -9.1887 -9.0999 -2.3878 -2.3432 -1.1671 -1.1274 0.9820 1.0281 2.1769 2.2225 2.4738 2.5589 3.0014 3.0736 3.2116 3.2508 3.2737 3.3937 3.6410 3.7499 3.9046 4.1099 4.1439 4.2919 4.4644 4.5955 4.9384 5.0498 5.6769 5.7066 6.3185 6.3430 6.3899 6.3973 6.4657 6.4902 6.6438 6.6575 8.0216 8.0405 8.1441 8.1642 8.1899 8.2191 8.2286 8.2623 8.2737 8.3175 8.3394 8.3888 8.4148 8.4198 8.4387 8.4582 8.4854 8.5164 8.5525 8.5678 9.1248 9.2831 9.3381 9.5627 11.3721 11.3811 k = 0.2695-0.1597-0.4451 ( 4544 PWs) bands (ev): -14.4700 -14.4177 -14.2225 -14.1657 -10.0268 -9.9400 -9.7692 -9.5925 -9.4944 -9.3724 -9.2053 -9.1158 -2.3115 -2.2674 -1.2242 -1.1835 1.0086 1.0562 2.1298 2.1785 2.5224 2.5969 2.9815 3.0684 3.2061 3.2285 3.2671 3.3754 3.6428 3.7419 3.8860 4.0849 4.1421 4.2832 4.4606 4.6051 4.9457 5.0621 5.6649 5.6989 6.3147 6.3399 6.3919 6.3985 6.4505 6.4765 6.6227 6.6369 8.0364 8.0576 8.1497 8.1705 8.1962 8.2238 8.2331 8.2654 8.2806 8.3178 8.3424 8.3898 8.4205 8.4228 8.4433 8.4655 8.4847 8.5179 8.5515 8.5678 9.1682 9.2816 9.3886 9.5582 11.3835 11.3928 k = 0.2782-0.1648-0.4595 ( 4542 PWs) bands (ev): -14.4517 -14.3992 -14.2388 -14.1832 -10.0216 -9.9371 -9.7999 -9.6225 -9.4640 -9.3408 -9.2217 -9.1319 -2.2337 -2.1903 -1.2794 -1.2381 1.0337 1.0836 2.0672 2.1253 2.5739 2.6417 2.9613 3.0640 3.1840 3.2050 3.2584 3.3600 3.6502 3.7343 3.8744 4.0349 4.1715 4.2837 4.4606 4.6155 4.9580 5.0779 5.6527 5.6910 6.3104 6.3357 6.3956 6.4016 6.4355 6.4625 6.6005 6.6154 8.0506 8.0735 8.1552 8.1764 8.2017 8.2275 8.2380 8.2686 8.2872 8.3172 8.3466 8.3883 8.4252 8.4269 8.4478 8.4720 8.4854 8.5185 8.5508 8.5672 9.2097 9.2778 9.4364 9.5512 11.3920 11.4022 k = 0.2869-0.1700-0.4738 ( 4536 PWs) bands (ev): -14.4334 -14.3808 -14.2548 -14.2005 -10.0167 -9.9346 -9.8297 -9.6527 -9.4322 -9.3094 -9.2378 -9.1482 -2.1547 -2.1121 -1.3328 -1.2911 1.0572 1.1104 1.9965 2.0657 2.6229 2.6873 2.9402 3.0611 3.1568 3.1698 3.2511 3.3473 3.6565 3.7311 3.8693 3.9900 4.2032 4.2924 4.4639 4.6275 4.9749 5.0968 5.6405 5.6828 6.3054 6.3306 6.4007 6.4055 6.4221 6.4484 6.5776 6.5930 8.0641 8.0883 8.1606 8.1819 8.2061 8.2300 8.2438 8.2717 8.2932 8.3172 8.3512 8.3852 8.4290 8.4320 8.4511 8.4767 8.4882 8.5189 8.5503 8.5664 9.2487 9.2723 9.4806 9.5417 11.3982 11.4093 k = 0.2956-0.1751-0.4882 ( 4538 PWs) bands (ev): -14.4151 -14.3626 -14.2705 -14.2176 -10.0119 -9.9326 -9.8583 -9.6827 -9.3996 -9.2802 -9.2516 -9.1646 -2.0746 -2.0330 -1.3842 -1.3424 1.0790 1.1364 1.9214 2.0018 2.6653 2.7290 2.9183 3.0601 3.1202 3.1364 3.2424 3.3354 3.6548 3.7396 3.8666 3.9545 4.2356 4.3077 4.4705 4.6423 4.9955 5.1187 5.6280 5.6741 6.3000 6.3247 6.3998 6.4091 6.4189 6.4343 6.5543 6.5700 8.0770 8.1018 8.1659 8.1867 8.2089 8.2319 8.2500 8.2740 8.2982 8.3188 8.3552 8.3816 8.4321 8.4375 8.4527 8.4793 8.4925 8.5201 8.5499 8.5654 9.2646 9.2851 9.5203 9.5300 11.4021 11.4142 k = 0.3043-0.1803-0.5026 ( 4534 PWs) bands (ev): -14.3969 -14.3447 -14.2857 -14.2343 -10.0074 -9.9312 -9.8854 -9.7121 -9.3666 -9.2752 -9.2412 -9.1812 -1.9934 -1.9529 -1.4335 -1.3918 1.0990 1.1617 1.8439 1.9356 2.6960 2.7630 2.8975 3.0585 3.0716 3.1175 3.2305 3.3245 3.6473 3.7586 3.8593 3.9341 4.2677 4.3280 4.4808 4.6610 5.0193 5.1431 5.6153 5.6651 6.2941 6.3185 6.3869 6.4156 6.4210 6.4272 6.5308 6.5467 8.0894 8.1139 8.1711 8.1907 8.2102 8.2344 8.2555 8.2761 8.3017 8.3226 8.3577 8.3796 8.4342 8.4427 8.4537 8.4791 8.4979 8.5229 8.5495 8.5647 9.2553 9.3180 9.5151 9.5564 11.4041 11.4171 k = 0.3129-0.1854-0.5169 ( 4534 PWs) bands (ev): -14.3790 -14.3271 -14.3005 -14.2507 -10.0031 -9.9318 -9.9098 -9.7409 -9.3335 -9.2892 -9.2118 -9.1976 -1.9115 -1.8723 -1.4807 -1.4394 1.1167 1.1862 1.7653 1.8687 2.7078 2.7849 2.8826 3.0113 3.0666 3.1074 3.2151 3.3165 3.6396 3.7820 3.8450 3.9300 4.2987 4.3518 4.4956 4.6848 5.0454 5.1698 5.6024 5.6555 6.2879 6.3120 6.3729 6.4043 6.4285 6.4367 6.5078 6.5234 8.1011 8.1243 8.1759 8.1935 8.2099 8.2384 8.2586 8.2793 8.3032 8.3288 8.3569 8.3809 8.4346 8.4471 8.4557 8.4759 8.5043 8.5266 8.5490 8.5643 9.2442 9.3467 9.4989 9.5867 11.4045 11.4183 k = 0.3216-0.1906-0.5313 ( 4536 PWs) bands (ev): -14.3612 -14.3149 -14.3099 -14.2668 -9.9991 -9.9429 -9.9227 -9.7689 -9.3049 -9.2998 -9.2143 -9.1812 -1.8292 -1.7915 -1.5254 -1.4848 1.1317 1.2097 1.6865 1.8025 2.6955 2.7909 2.8757 2.9574 3.0671 3.1100 3.1973 3.3140 3.6345 3.8034 3.8326 3.9347 4.3279 4.3778 4.5157 4.7146 5.0733 5.1984 5.5892 5.6452 6.2814 6.3054 6.3589 6.3900 6.4391 6.4469 6.4872 6.5011 8.1121 8.1329 8.1804 8.1949 8.2084 8.2439 8.2588 8.2839 8.3028 8.3369 8.3531 8.3854 8.4331 8.4504 8.4592 8.4712 8.5112 8.5299 8.5493 8.5645 9.2314 9.3702 9.4814 9.6116 11.4035 11.4180 k = 0.3303-0.1957-0.5456 ( 4536 PWs) bands (ev): -14.3437 -14.3287 -14.2933 -14.2824 -9.9952 -9.9643 -9.9241 -9.7962 -9.3196 -9.2670 -9.2307 -9.1510 -1.7472 -1.7120 -1.5662 -1.5273 1.1434 1.2322 1.6085 1.7383 2.6628 2.7754 2.8703 2.9127 3.0634 3.1259 3.1787 3.3193 3.6326 3.8067 3.8403 3.9421 4.3552 4.4048 4.5418 4.7506 5.1024 5.2285 5.5756 5.6342 6.2748 6.2988 6.3453 6.3759 6.4430 6.4530 6.4763 6.4842 8.1221 8.1395 8.1842 8.1949 8.2066 8.2497 8.2582 8.2889 8.3009 8.3462 8.3480 8.3915 8.4305 8.4528 8.4611 8.4687 8.5181 8.5312 8.5514 8.5652 9.2172 9.3863 9.4650 9.6306 11.4014 11.4166 k = 0.3390-0.2009-0.5600 ( 4532 PWs) bands (ev): -14.3420 -14.3265 -14.2976 -14.2771 -9.9923 -9.9853 -9.9241 -9.8225 -9.3343 -9.2474 -9.2338 -9.1214 -1.6698 -1.6474 -1.5898 -1.5625 1.1509 1.2533 1.5321 1.6779 2.6171 2.7340 2.8579 2.8847 3.0587 3.1485 3.1632 3.3322 3.6336 3.8004 3.8600 3.9495 4.3808 4.4319 4.5744 4.7925 5.1322 5.2598 5.5616 5.6224 6.2681 6.2922 6.3323 6.3619 6.4283 6.4451 6.4803 6.4895 8.1310 8.1439 8.1866 8.1939 8.2055 8.2503 8.2624 8.2922 8.2994 8.3417 8.3569 8.3979 8.4279 8.4515 8.4604 8.4721 8.5246 8.5304 8.5555 8.5664 9.2016 9.3899 9.4544 9.6435 11.3985 11.4143 k = 0.3477-0.2060-0.5744 ( 4526 PWs) bands (ev): -14.3546 -14.3123 -14.3097 -14.2615 -10.0076 -9.9873 -9.9240 -9.8480 -9.3486 -9.2635 -9.2015 -9.0926 -1.6612 -1.6329 -1.5565 -1.5313 1.1528 1.2721 1.4586 1.6228 2.5636 2.6734 2.8390 2.8651 3.0554 3.1438 3.1820 3.3514 3.6371 3.7965 3.8784 3.9558 4.4050 4.4586 4.6134 4.8396 5.1622 5.2919 5.5473 5.6097 6.2614 6.2859 6.3198 6.3484 6.4083 6.4259 6.4954 6.5054 8.1382 8.1464 8.1869 8.1926 8.2059 8.2470 8.2685 8.2925 8.3006 8.3354 8.3678 8.4034 8.4262 8.4463 8.4627 8.4769 8.5278 8.5311 8.5608 8.5683 9.1849 9.3777 9.4530 9.6501 11.3952 11.4113 k = 0.3564-0.2112-0.5887 ( 4532 PWs) bands (ev): -14.3667 -14.3264 -14.2934 -14.2466 -10.0269 -9.9840 -9.9242 -9.8725 -9.3623 -9.2794 -9.1695 -9.0646 -1.6948 -1.6607 -1.4823 -1.4525 1.1478 1.2854 1.3918 1.5752 2.5049 2.6032 2.8173 2.8440 3.0543 3.1321 3.2128 3.3745 3.6428 3.7961 3.8938 3.9606 4.4284 4.4847 4.6582 4.8909 5.1918 5.3243 5.5327 5.5961 6.2549 6.2796 6.3080 6.3354 6.3881 6.4055 6.5141 6.5243 8.1416 8.1486 8.1851 8.1913 8.2078 8.2427 8.2698 8.2954 8.3019 8.3298 8.3782 8.4066 8.4259 8.4417 8.4657 8.4817 8.5256 8.5361 8.5664 8.5711 9.1673 9.3554 9.4552 9.6504 11.3917 11.4080 k = 0.3651-0.2163-0.6031 ( 4528 PWs) bands (ev): -14.3782 -14.3400 -14.2775 -14.2323 -10.0450 -9.9807 -9.9248 -9.8956 -9.3754 -9.2951 -9.1383 -9.0378 -1.7288 -1.6949 -1.4000 -1.3710 1.1344 1.2746 1.3504 1.5366 2.4425 2.5283 2.7935 2.8195 3.0551 3.1234 3.2444 3.3994 3.6504 3.7988 3.9061 3.9640 4.4512 4.5099 4.7078 4.9453 5.2206 5.3566 5.5179 5.5818 6.2486 6.2736 6.2968 6.3231 6.3685 6.3857 6.5351 6.5453 8.1393 8.1520 8.1829 8.1897 8.2106 8.2379 8.2656 8.2971 8.3059 8.3263 8.3869 8.4083 8.4256 8.4413 8.4687 8.4859 8.5233 8.5404 8.5715 8.5754 9.1491 9.3284 9.4560 9.6444 11.3882 11.4047 k = 0.3738-0.2215-0.6174 ( 4532 PWs) bands (ev): -14.3889 -14.3529 -14.2622 -14.2188 -10.0615 -9.9776 -9.9282 -9.9153 -9.3878 -9.3105 -9.1078 -9.0121 -1.7613 -1.7286 -1.3166 -1.2892 1.1120 1.2237 1.3508 1.5080 2.3775 2.4512 2.7684 2.7928 3.0575 3.1174 3.2752 3.4245 3.6596 3.8038 3.9155 3.9663 4.4737 4.5342 4.7611 5.0018 5.2480 5.3879 5.5034 5.5671 6.2427 6.2677 6.2865 6.3115 6.3501 6.3668 6.5580 6.5681 8.1339 8.1546 8.1802 8.1882 8.2134 8.2327 8.2591 8.2909 8.3154 8.3257 8.3921 8.4091 8.4262 8.4449 8.4716 8.4895 8.5216 8.5438 8.5758 8.5813 9.1305 9.2990 9.4535 9.6326 11.3849 11.4014 k = 0.6262 0.0635-0.4169 ( 4532 PWs) bands (ev): -14.3889 -14.3529 -14.2622 -14.2188 -10.0615 -9.9775 -9.9281 -9.9154 -9.3878 -9.3105 -9.1079 -9.0121 -1.7613 -1.7286 -1.3166 -1.2892 1.1120 1.2237 1.3508 1.5080 2.3775 2.4512 2.7684 2.7928 3.0575 3.1174 3.2752 3.4245 3.6596 3.8038 3.9155 3.9663 4.4737 4.5343 4.7610 5.0018 5.2480 5.3879 5.5034 5.5671 6.2427 6.2677 6.2865 6.3115 6.3501 6.3668 6.5580 6.5681 8.1339 8.1546 8.1802 8.1882 8.2134 8.2327 8.2590 8.2909 8.3154 8.3257 8.3921 8.4091 8.4262 8.4449 8.4716 8.4895 8.5216 8.5438 8.5758 8.5813 9.1305 9.2990 9.4535 9.6326 11.3849 11.4014 k = 0.6178 0.0782-0.4169 ( 4536 PWs) bands (ev): -14.3987 -14.3649 -14.2480 -14.2065 -10.0761 -9.9746 -9.9428 -9.9221 -9.3991 -9.3250 -9.0793 -8.9884 -1.7909 -1.7597 -1.2361 -1.2105 1.0822 1.1645 1.3631 1.4894 2.3131 2.3757 2.7437 2.7659 3.0608 3.1139 3.3037 3.4477 3.6697 3.8101 3.9224 3.9681 4.4952 4.5567 4.8149 5.0574 5.2723 5.4160 5.4902 5.5535 6.2373 6.2620 6.2773 6.3010 6.3334 6.3499 6.5817 6.5917 8.1268 8.1553 8.1772 8.1871 8.2156 8.2272 8.2521 8.2816 8.3227 8.3294 8.3943 8.4075 8.4317 8.4497 8.4739 8.4921 8.5208 8.5466 8.5799 8.5877 9.1124 9.2693 9.4473 9.6158 11.3821 11.3984 k = 0.6094 0.0930-0.4169 ( 4528 PWs) bands (ev): -14.4078 -14.3762 -14.2344 -14.1950 -10.0893 -9.9719 -9.9619 -9.9236 -9.4096 -9.3390 -9.0518 -8.9661 -1.8186 -1.7890 -1.1563 -1.1326 1.0461 1.1056 1.3772 1.4784 2.2478 2.3004 2.7193 2.7392 3.0647 3.1119 3.3306 3.4692 3.6808 3.8170 3.9280 3.9702 4.5162 4.5780 4.8700 5.1132 5.2936 5.4391 5.4794 5.5424 6.2324 6.2563 6.2690 6.2910 6.3181 6.3345 6.6069 6.6168 8.1186 8.1540 8.1735 8.1863 8.2162 8.2221 8.2453 8.2708 8.3254 8.3383 8.3956 8.4043 8.4405 8.4546 8.4755 8.4941 8.5209 8.5491 8.5842 8.5947 9.0944 9.2391 9.4376 9.5945 11.3798 11.3958 k = 0.6010 0.1078-0.4169 ( 4534 PWs) bands (ev): -14.4162 -14.3869 -14.2214 -14.1843 -10.1010 -9.9812 -9.9687 -9.9247 -9.4194 -9.3526 -9.0255 -8.9453 -1.8443 -1.8165 -1.0776 -1.0560 1.0055 1.0492 1.3912 1.4730 2.1825 2.2261 2.6957 2.7132 3.0690 3.1111 3.3557 3.4885 3.6921 3.8234 3.9330 3.9733 4.5368 4.5978 4.9254 5.1684 5.3104 5.4499 5.4747 5.5385 6.2280 6.2502 6.2616 6.2814 6.3043 6.3211 6.6334 6.6430 8.1097 8.1506 8.1693 8.1856 8.2123 8.2198 8.2390 8.2593 8.3272 8.3477 8.3968 8.4014 8.4502 8.4589 8.4760 8.4956 8.5219 8.5513 8.5885 8.6018 9.0768 9.2088 9.4246 9.5692 11.3780 11.3936 k = 0.5926 0.1225-0.4169 ( 4538 PWs) bands (ev): -14.4239 -14.3969 -14.2092 -14.1745 -10.1112 -9.9992 -9.9662 -9.9256 -9.4282 -9.3656 -9.0005 -8.9260 -1.8679 -1.8420 -1.0006 -0.9810 0.9624 0.9961 1.4045 1.4715 2.1179 2.1535 2.6733 2.6884 3.0736 3.1111 3.3790 3.5053 3.7030 3.8283 3.9383 3.9782 4.5566 4.6161 4.9800 5.2219 5.3213 5.4462 5.4745 5.5469 6.2240 6.2437 6.2549 6.2718 6.2923 6.3100 6.6610 6.6704 8.1005 8.1453 8.1646 8.1845 8.2056 8.2183 8.2333 8.2484 8.3293 8.3563 8.3954 8.4026 8.4596 8.4626 8.4753 8.4971 8.5236 8.5536 8.5929 8.6091 9.0598 9.1787 9.4088 9.5407 11.3767 11.3918 k = 0.5841 0.1373-0.4169 ( 4534 PWs) bands (ev): -14.4309 -14.4062 -14.1976 -14.1655 -10.1200 -10.0164 -9.9636 -9.9267 -9.4361 -9.3781 -8.9769 -8.9083 -1.8894 -1.8656 -0.9257 -0.9082 0.9183 0.9466 1.4169 1.4723 2.0548 2.0833 2.6523 2.6653 3.0782 3.1116 3.4006 3.5199 3.7130 3.8311 3.9450 3.9850 4.5755 4.6326 5.0331 5.2728 5.3259 5.4368 5.4747 5.5641 6.2205 6.2370 6.2485 6.2621 6.2825 6.3016 6.6893 6.6984 8.0914 8.1386 8.1590 8.1829 8.1981 8.2145 8.2283 8.2401 8.3316 8.3635 8.3928 8.4069 8.4657 8.4681 8.4737 8.4985 8.5260 8.5558 8.5976 8.6165 9.0436 9.1495 9.3910 9.5100 11.3760 11.3904 k = 0.5757 0.1520-0.4169 ( 4538 PWs) bands (ev): -14.4371 -14.4148 -14.1869 -14.1575 -10.1273 -10.0326 -9.9611 -9.9278 -9.4431 -9.3898 -8.9548 -8.8924 -1.9088 -1.8871 -0.8534 -0.8382 0.8747 0.9005 1.4283 1.4746 1.9939 2.0164 2.6329 2.6440 3.0829 3.1124 3.4206 3.5321 3.7214 3.8312 3.9537 3.9938 4.5933 4.6474 5.0836 5.3115 5.3333 5.4243 5.4786 5.5840 6.2172 6.2299 6.2419 6.2521 6.2754 6.2956 6.7181 6.7267 8.0825 8.1309 8.1525 8.1797 8.1906 8.2077 8.2247 8.2350 8.3341 8.3690 8.3909 8.4124 8.4680 8.4713 8.4755 8.4994 8.5290 8.5579 8.6024 8.6237 9.0284 9.1213 9.3717 9.4779 11.3758 11.3893 k = 0.5673 0.1668-0.4169 ( 4546 PWs) bands (ev): -14.4426 -14.4227 -14.1770 -14.1505 -10.1332 -10.0477 -9.9587 -9.9291 -9.4490 -9.4009 -8.9343 -8.8783 -1.9260 -1.9066 -0.7846 -0.7714 0.8330 0.8576 1.4386 1.4775 1.9361 1.9536 2.6153 2.6247 3.0874 3.1132 3.4392 3.5421 3.7281 3.8286 3.9645 4.0040 4.6100 4.6602 5.1304 5.3112 5.3714 5.4110 5.4863 5.6032 6.2141 6.2228 6.2349 6.2423 6.2711 6.2916 6.7468 6.7549 8.0741 8.1226 8.1449 8.1726 8.1851 8.2002 8.2223 8.2319 8.3369 8.3722 8.3908 8.4185 8.4677 8.4708 8.4812 8.4998 8.5327 8.5599 8.6075 8.6306 9.0143 9.0947 9.3519 9.4454 11.3760 11.3885 k = 0.5589 0.1816-0.4169 ( 4536 PWs) bands (ev): -14.4473 -14.4298 -14.1680 -14.1445 -10.1376 -10.0619 -9.9564 -9.9304 -9.4540 -9.4112 -8.9155 -8.8661 -1.9411 -1.9239 -0.7199 -0.7088 0.7942 0.8180 1.4477 1.4805 1.8823 1.8957 2.5997 2.6075 3.0917 3.1141 3.4563 3.5499 3.7334 3.8237 3.9771 4.0149 4.6254 4.6711 5.1724 5.3022 5.3958 5.4143 5.4966 5.6203 6.2113 6.2157 6.2275 6.2336 6.2693 6.2890 6.7749 6.7823 8.0666 8.1142 8.1364 8.1615 8.1822 8.1941 8.2206 8.2297 8.3399 8.3730 8.3928 8.4245 8.4650 8.4724 8.4854 8.4997 8.5370 8.5617 8.6130 8.6370 9.0017 9.0698 9.3324 9.4134 11.3766 11.3880 k = 0.5505 0.1963-0.4169 ( 4538 PWs) bands (ev): -14.4512 -14.4362 -14.1598 -14.1395 -10.1406 -10.0750 -9.9541 -9.9318 -9.4578 -9.4207 -8.8986 -8.8559 -1.9541 -1.9392 -0.6603 -0.6511 0.7590 0.7816 1.4556 1.4832 1.8333 1.8436 2.5860 2.5925 3.0957 3.1148 3.4723 3.5556 3.7375 3.8172 3.9907 4.0258 4.6393 4.6800 5.2076 5.2918 5.3885 5.4465 5.5096 5.6344 6.2084 6.2093 6.2194 6.2266 6.2691 6.2874 6.8016 6.8084 8.0602 8.1059 8.1272 8.1490 8.1802 8.1893 8.2194 8.2278 8.3431 8.3721 8.3963 8.4297 8.4624 8.4738 8.4879 8.4992 8.5415 8.5630 8.6187 8.6426 8.9906 9.0471 9.3141 9.3828 11.3775 11.3875 k = 0.5421 0.2111-0.4169 ( 4536 PWs) bands (ev): -14.4544 -14.4418 -14.1526 -14.1354 -10.1422 -10.0870 -9.9519 -9.9333 -9.4606 -9.4293 -8.8835 -8.8477 -1.9648 -1.9524 -0.6068 -0.5995 0.7281 0.7489 1.4623 1.4852 1.7900 1.7981 2.5745 2.5796 3.0995 3.1152 3.4871 3.5590 3.7412 3.8095 4.0047 4.0358 4.6519 4.6868 5.2336 5.2817 5.3866 5.4692 5.5279 5.6449 6.2027 6.2065 6.2116 6.2210 6.2702 6.2864 6.8263 6.8322 8.0552 8.0979 8.1180 8.1368 8.1787 8.1855 8.2186 8.2262 8.3463 8.3706 8.4004 8.4332 8.4608 8.4749 8.4891 8.4987 8.5460 8.5640 8.6247 8.6473 8.9812 9.0267 9.2977 9.3545 11.3785 11.3871 k = 0.5337 0.2259-0.4169 ( 4536 PWs) bands (ev): -14.4567 -14.4467 -14.1463 -14.1325 -10.1424 -10.0979 -9.9498 -9.9348 -9.4623 -9.4371 -8.8704 -8.8416 -1.9734 -1.9634 -0.5605 -0.5550 0.7022 0.7202 1.4679 1.4864 1.7534 1.7599 2.5650 2.5690 3.1029 3.1154 3.5008 3.5602 3.7450 3.8010 4.0181 4.0443 4.6629 4.6916 5.2488 5.2727 5.3933 5.4799 5.5514 5.6514 6.1974 6.2031 6.2061 6.2163 6.2721 6.2856 6.8481 6.8530 8.0518 8.0897 8.1096 8.1259 8.1775 8.1825 8.2181 8.2245 8.3494 8.3688 8.4047 8.4343 8.4609 8.4757 8.4893 8.4981 8.5501 8.5644 8.6308 8.6508 8.9737 9.0090 9.2842 9.3292 11.3797 11.3867 k = 0.5252 0.2406-0.4169 ( 4544 PWs) bands (ev): -14.4583 -14.4508 -14.1410 -14.1305 -10.1413 -10.1077 -9.9477 -9.9365 -9.4629 -9.4438 -8.8593 -8.8377 -1.9798 -1.9723 -0.5228 -0.5187 0.6818 0.6963 1.4725 1.4865 1.7243 1.7295 2.5577 2.5607 3.1059 3.1153 3.5133 3.5592 3.7493 3.7923 4.0303 4.0507 4.6724 4.6944 5.2545 5.2656 5.4072 5.4821 5.5761 5.6537 6.1933 6.1978 6.2044 6.2123 6.2743 6.2848 6.8663 6.8700 8.0502 8.0812 8.1032 8.1164 8.1767 8.1801 8.2178 8.2229 8.3525 8.3670 8.4091 8.4329 8.4626 8.4757 8.4895 8.4974 8.5538 8.5644 8.6367 8.6529 8.9685 8.9941 9.2740 9.3077 11.3809 11.3863 k = 0.5168 0.2554-0.4169 ( 4532 PWs) bands (ev): -14.4590 -14.4540 -14.1366 -14.1297 -10.1388 -10.1164 -9.9457 -9.9382 -9.4624 -9.4496 -8.8503 -8.8359 -1.9840 -1.9790 -0.4946 -0.4920 0.6675 0.6777 1.4762 1.4857 1.7036 1.7073 2.5526 2.5546 3.1085 3.1147 3.5248 3.5560 3.7544 3.7837 4.0405 4.0545 4.6804 4.6953 5.2552 5.2603 5.4247 5.4785 5.5989 5.6515 6.1904 6.1934 6.2038 6.2091 6.2767 6.2839 6.8801 6.8826 8.0508 8.0727 8.0995 8.1089 8.1762 8.1784 8.2180 8.2214 8.3555 8.3650 8.4136 8.4301 8.4651 8.4748 8.4903 8.4964 8.5569 8.5640 8.6422 8.6536 8.9656 8.9823 9.2680 9.2903 11.3821 11.3857 k = 0.5084 0.2702-0.4169 ( 4528 PWs) bands (ev): -14.4590 -14.4565 -14.1333 -14.1298 -10.1351 -10.1238 -9.9437 -9.9400 -9.4608 -9.4544 -8.8435 -8.8362 -1.9860 -1.9835 -0.4770 -0.4757 0.6599 0.6651 1.4793 1.4841 1.6915 1.6935 2.5497 2.5507 3.1107 3.1138 3.5349 3.5507 3.7605 3.7753 4.0483 4.0554 4.6867 4.6942 5.2546 5.2568 5.4423 5.4701 5.6183 5.6449 6.1889 6.1904 6.2040 6.2067 6.2790 6.2826 6.8889 6.8901 8.0534 8.0647 8.0985 8.1033 8.1761 8.1772 8.2184 8.2202 8.3582 8.3629 8.4180 8.4264 8.4679 8.4730 8.4917 8.4950 8.5595 8.5630 8.6468 8.6528 8.9654 8.9736 9.2664 9.2776 11.3832 11.3850 k = 0.5000 0.2849-0.4169 ( 4524 PWs) bands (ev): -14.4581 -14.4581 -14.1311 -14.1311 -10.1301 -10.1301 -9.9418 -9.9418 -9.4582 -9.4582 -8.8388 -8.8388 -1.9859 -1.9859 -0.4706 -0.4706 0.6590 0.6590 1.4819 1.4819 1.6882 1.6882 2.5491 2.5491 3.1125 3.1125 3.5436 3.5436 3.7675 3.7675 4.0534 4.0534 4.6913 4.6913 5.2549 5.2549 5.4578 5.4578 5.6338 5.6338 6.1889 6.1889 6.2050 6.2050 6.2810 6.2810 6.8923 6.8923 8.0582 8.0582 8.0998 8.0998 8.1764 8.1764 8.2192 8.2192 8.3607 8.3607 8.4223 8.4223 8.4706 8.4706 8.4934 8.4934 8.5615 8.5615 8.6505 8.6505 8.9680 8.9680 9.2696 9.2696 11.3842 11.3842 k = 0.5000 0.2849-0.4169 ( 4524 PWs) bands (ev): -14.4581 -14.4581 -14.1311 -14.1311 -10.1301 -10.1301 -9.9418 -9.9418 -9.4582 -9.4582 -8.8388 -8.8388 -1.9859 -1.9859 -0.4706 -0.4706 0.6590 0.6590 1.4819 1.4819 1.6882 1.6882 2.5491 2.5491 3.1125 3.1125 3.5436 3.5436 3.7675 3.7675 4.0534 4.0534 4.6913 4.6913 5.2549 5.2549 5.4578 5.4578 5.6338 5.6338 6.1889 6.1889 6.2050 6.2050 6.2810 6.2810 6.8923 6.8923 8.0582 8.0582 8.0998 8.0998 8.1764 8.1764 8.2192 8.2192 8.3607 8.3607 8.4223 8.4223 8.4706 8.4706 8.4934 8.4934 8.5615 8.5615 8.6505 8.6505 8.9680 8.9680 9.2696 9.2696 11.3842 11.3842 k = 0.5090 0.2901-0.4026 ( 4524 PWs) bands (ev): -14.4585 -14.4569 -14.1326 -14.1307 -10.1296 -10.1289 -9.9438 -9.9398 -9.4594 -9.4558 -8.8403 -8.8394 -1.9860 -1.9840 -0.4801 -0.4792 0.6671 0.6680 1.4797 1.4838 1.6880 1.6932 2.5486 2.5512 3.1113 3.1126 3.5428 3.5438 3.7673 3.7686 4.0523 4.0533 4.6887 4.6923 5.2545 5.2551 5.4558 5.4565 5.6302 5.6332 6.1883 6.1915 6.2054 6.2057 6.2817 6.2822 6.8924 6.8925 8.0578 8.0585 8.0986 8.1006 8.1762 8.1782 8.2175 8.2216 8.3553 8.3655 8.4211 8.4233 8.4688 8.4717 8.4927 8.4941 8.5614 8.5617 8.6503 8.6504 8.9653 8.9736 9.2659 9.2723 11.3830 11.3853 k = 0.5180 0.2952-0.3883 ( 4526 PWs) bands (ev): -14.4581 -14.4547 -14.1354 -14.1315 -10.1276 -10.1262 -9.9460 -9.9380 -9.4595 -9.4524 -8.8441 -8.8422 -1.9844 -1.9804 -0.5068 -0.5053 0.6915 0.6929 1.4774 1.4849 1.6933 1.7029 2.5497 2.5550 3.1093 3.1119 3.5413 3.5433 3.7679 3.7704 4.0501 4.0522 4.6843 4.6915 5.2538 5.2549 5.4503 5.4517 5.6227 5.6287 6.1894 6.1957 6.2069 6.2075 6.2842 6.2852 6.8928 6.8930 8.0573 8.0589 8.0972 8.1008 8.1773 8.1816 8.2164 8.2246 8.3495 8.3695 8.4198 8.4242 8.4664 8.4719 8.4923 8.4947 8.5613 8.5618 8.6499 8.6501 8.9654 8.9821 9.2613 9.2740 11.3819 11.3864 k = 0.5270 0.3003-0.3740 ( 4532 PWs) bands (ev): -14.4568 -14.4517 -14.1394 -14.1335 -10.1240 -10.1220 -9.9482 -9.9362 -9.4585 -9.4480 -8.8501 -8.8473 -1.9810 -1.9751 -0.5485 -0.5466 0.7301 0.7315 1.4752 1.4848 1.7042 1.7172 2.5525 2.5603 3.1063 3.1102 3.5392 3.5421 3.7693 3.7730 4.0469 4.0499 4.6781 4.6890 5.2527 5.2542 5.4414 5.4437 5.6120 5.6207 6.1923 6.2013 6.2096 6.2105 6.2886 6.2901 6.8934 6.8938 8.0568 8.0592 8.0960 8.1003 8.1794 8.1864 8.2159 8.2282 8.3435 8.3726 8.4181 8.4249 8.4635 8.4711 8.4922 8.4952 8.5613 8.5617 8.6493 8.6497 8.9683 8.9935 9.2557 9.2749 11.3808 11.3875 k = 0.5361 0.3055-0.3596 ( 4535 PWs) bands (ev): -14.4546 -14.4479 -14.1445 -14.1367 -10.1189 -10.1161 -9.9505 -9.9345 -9.4564 -9.4424 -8.8582 -8.8545 -1.9759 -1.9680 -0.6025 -0.6004 0.7802 0.7809 1.4734 1.4832 1.7211 1.7360 2.5568 2.5672 3.1025 3.1075 3.5364 3.5401 3.7715 3.7763 4.0426 4.0467 4.6704 4.6848 5.2507 5.2526 5.4291 5.4326 5.5989 5.6100 6.1966 6.2079 6.2134 6.2144 6.2947 6.2969 6.8942 6.8948 8.0561 8.0596 8.0952 8.0993 8.1824 8.1926 8.2161 8.2324 8.3373 8.3746 8.4164 8.4255 8.4602 8.4695 8.4924 8.4954 8.5612 8.5615 8.6485 8.6490 8.9740 9.0076 9.2492 9.2747 11.3798 11.3887 k = 0.5451 0.3106-0.3453 ( 4535 PWs) bands (ev): -14.4515 -14.4432 -14.1507 -14.1411 -10.1121 -10.1087 -9.9529 -9.9329 -9.4532 -9.4359 -8.8685 -8.8638 -1.9691 -1.9592 -0.6659 -0.6640 0.8381 0.8388 1.4719 1.4801 1.7441 1.7595 2.5626 2.5755 3.0978 3.1038 3.5329 3.5373 3.7746 3.7801 4.0374 4.0427 4.6611 4.6789 5.2473 5.2493 5.4141 5.4189 5.5844 5.5974 6.2020 6.2149 6.2187 6.2194 6.3026 6.3054 6.8950 6.8958 8.0554 8.0600 8.0949 8.0979 8.1861 8.1999 8.2168 8.2371 8.3312 8.3757 8.4143 8.4259 8.4565 8.4672 8.4928 8.4954 8.5609 8.5611 8.6475 8.6480 8.9822 9.0244 9.2416 9.2736 11.3789 11.3899 k = 0.5541 0.3158-0.3310 ( 4533 PWs) bands (ev): -14.4476 -14.4376 -14.1581 -14.1466 -10.1038 -10.0998 -9.9554 -9.9315 -9.4490 -9.4283 -8.8808 -8.8752 -1.9604 -1.9487 -0.7365 -0.7351 0.9004 0.9037 1.4709 1.4757 1.7729 1.7875 2.5699 2.5852 3.0923 3.0992 3.5286 3.5337 3.7785 3.7845 4.0313 4.0379 4.6502 4.6715 5.2413 5.2432 5.3973 5.4039 5.5692 5.5838 6.2083 6.2217 6.2253 6.2256 6.3123 6.3156 6.8958 6.8968 8.0546 8.0603 8.0951 8.0962 8.1903 8.2080 8.2182 8.2422 8.3254 8.3760 8.4121 8.4258 8.4524 8.4643 8.4932 8.4950 8.5599 8.5608 8.6462 8.6469 8.9928 9.0437 9.2331 9.2715 11.3781 11.3912 k = 0.5631 0.3209-0.3167 ( 4531 PWs) bands (ev): -14.4429 -14.4313 -14.1665 -14.1532 -10.0940 -10.0894 -9.9580 -9.9301 -9.4437 -9.4198 -8.8952 -8.8886 -1.9501 -1.9364 -0.8124 -0.8116 0.9653 0.9725 1.4704 1.4709 1.8073 1.8203 2.5785 2.5963 3.0860 3.0935 3.5233 3.5291 3.7830 3.7892 4.0247 4.0325 4.6380 4.6627 5.2311 5.2328 5.3807 5.3892 5.5540 5.5699 6.2151 6.2286 6.2322 6.2335 6.3235 6.3274 6.8963 6.8976 8.0539 8.0604 8.0945 8.0959 8.1949 8.2166 8.2200 8.2475 8.3201 8.3754 8.4095 8.4251 8.4479 8.4611 8.4935 8.4942 8.5584 8.5601 8.6448 8.6456 9.0056 9.0652 9.2236 9.2685 11.3775 11.3926 k = 0.5721 0.3260-0.3024 ( 4535 PWs) bands (ev): -14.4373 -14.4241 -14.1759 -14.1610 -10.0827 -10.0775 -9.9607 -9.9288 -9.4374 -9.4104 -8.9114 -8.9040 -1.9380 -1.9225 -0.8922 -0.8922 1.0307 1.0435 1.4647 1.4727 1.8468 1.8576 2.5883 2.6085 3.0789 3.0869 3.5171 3.5234 3.7882 3.7942 4.0175 4.0268 4.6244 4.6525 5.2149 5.2163 5.3666 5.3771 5.5390 5.5562 6.2223 6.2359 6.2397 6.2418 6.3362 6.3407 6.8964 6.8981 8.0533 8.0604 8.0929 8.0972 8.1998 8.2223 8.2256 8.2527 8.3155 8.3741 8.4067 8.4237 8.4431 8.4578 8.4931 8.4936 8.5562 8.5591 8.6431 8.6440 9.0203 9.0882 9.2132 9.2647 11.3772 11.3941 k = 0.5811 0.3312-0.2880 ( 4535 PWs) bands (ev): -14.4309 -14.4161 -14.1864 -14.1698 -10.0699 -10.0641 -9.9634 -9.9276 -9.4301 -9.4001 -8.9295 -8.9212 -1.9242 -1.9068 -0.9757 -0.9747 1.0939 1.1147 1.4598 1.4776 1.8912 1.8994 2.5993 2.6218 3.0711 3.0794 3.5096 3.5164 3.7938 3.7992 4.0102 4.0210 4.6097 4.6411 5.1913 5.1931 5.3569 5.3689 5.5246 5.5428 6.2297 6.2438 6.2480 6.2501 6.3504 6.3555 6.8961 6.8981 8.0529 8.0602 8.0914 8.0987 8.2050 8.2250 8.2343 8.2578 8.3119 8.3723 8.4036 8.4214 8.4380 8.4545 8.4915 8.4935 8.5535 8.5575 8.6412 8.6422 9.0363 9.1122 9.2020 9.2603 11.3773 11.3957 k = 0.5901 0.3363-0.2737 ( 4536 PWs) bands (ev): -14.4237 -14.4074 -14.1978 -14.1796 -10.0556 -10.0494 -9.9663 -9.9266 -9.4218 -9.3889 -8.9494 -8.9402 -1.9086 -1.8895 -1.0612 -1.0592 1.1518 1.1834 1.4579 1.4881 1.9399 1.9454 2.6112 2.6361 3.0627 3.0709 3.5008 3.5080 3.7997 3.8041 4.0030 4.0154 4.5940 4.6286 5.1609 5.1635 5.3521 5.3650 5.5107 5.5299 6.2372 6.2522 6.2568 6.2585 6.3659 6.3715 6.8952 6.8976 8.0527 8.0598 8.0902 8.1006 8.2102 8.2279 8.2423 8.2626 8.3097 8.3701 8.4004 8.4183 8.4326 8.4512 8.4896 8.4930 8.5501 8.5553 8.6391 8.6401 9.0528 9.1357 9.1907 9.2564 11.3777 11.3975 k = 0.5992 0.3414-0.2594 ( 4530 PWs) bands (ev): -14.4158 -14.3978 -14.2100 -14.1905 -10.0398 -10.0332 -9.9693 -9.9256 -9.4126 -9.3770 -8.9709 -8.9609 -1.8912 -1.8704 -1.1481 -1.1450 1.2005 1.2447 1.4632 1.5073 1.9923 1.9952 2.6240 2.6511 3.0537 3.0616 3.4905 3.4981 3.8056 3.8084 3.9963 4.0105 4.5776 4.6153 5.1250 5.1290 5.3514 5.3648 5.4974 5.5175 6.2447 6.2607 6.2661 6.2670 6.3826 6.3886 6.8935 6.8963 8.0527 8.0591 8.0892 8.1026 8.2154 8.2312 8.2484 8.2677 8.3091 8.3675 8.3970 8.4144 8.4271 8.4480 8.4872 8.4922 8.5460 8.5525 8.6368 8.6377 9.0683 9.1563 9.1803 9.2549 11.3787 11.3992 k = 0.6082 0.3466-0.2451 ( 4529 PWs) bands (ev): -14.4070 -14.3876 -14.2232 -14.2022 -10.0227 -10.0159 -9.9723 -9.9246 -9.4025 -9.3644 -8.9940 -8.9831 -1.8721 -1.8496 -1.2358 -1.2316 1.2366 1.2902 1.4841 1.5387 2.0481 2.0484 2.6375 2.6668 3.0442 3.0514 3.4783 3.4863 3.8110 3.8119 3.9905 4.0065 4.5607 4.6014 5.0856 5.0912 5.3539 5.3674 5.4846 5.5057 6.2522 6.2690 6.2759 6.2760 6.4004 6.4067 6.8911 6.8943 8.0529 8.0581 8.0885 8.1048 8.2203 8.2346 8.2514 8.2739 8.3101 8.3647 8.3934 8.4098 8.4216 8.4449 8.4844 8.4911 8.5412 8.5491 8.6343 8.6351 9.0797 9.1694 9.1734 9.2597 11.3800 11.3997 k = 0.6172 0.3517-0.2307 ( 4523 PWs) bands (ev): -14.3975 -14.3766 -14.2371 -14.2149 -10.0042 -9.9973 -9.9754 -9.9236 -9.3916 -9.3510 -9.0186 -9.0068 -1.8513 -1.8272 -1.3240 -1.3185 1.2587 1.3131 1.5271 1.5831 2.1045 2.1064 2.6514 2.6829 3.0342 3.0405 3.4641 3.4725 3.8142 3.8156 3.9863 4.0040 4.5435 4.5871 5.0442 5.0518 5.3588 5.3720 5.4723 5.4946 6.2596 6.2768 6.2858 6.2860 6.4191 6.4257 6.8877 6.8913 8.0533 8.0568 8.0880 8.1071 8.2249 8.2381 8.2516 8.2809 8.3125 8.3618 8.3896 8.4047 8.4163 8.4416 8.4811 8.4896 8.5358 8.5449 8.6315 8.6322 9.0825 9.1713 9.1742 9.2738 11.3807 11.3892 k = 0.6262 0.3568-0.2164 ( 4522 PWs) bands (ev): -14.3872 -14.3649 -14.2517 -14.2283 -9.9852 -9.9780 -9.9780 -9.9223 -9.3799 -9.3371 -9.0445 -9.0319 -1.8287 -1.8031 -1.4122 -1.4055 1.2689 1.3178 1.5877 1.6385 2.1628 2.1668 2.6656 2.6992 3.0240 3.0289 3.4476 3.4563 3.8150 3.8189 3.9843 4.0034 4.5265 4.5726 5.0019 5.0121 5.3655 5.3782 5.4607 5.4841 6.2670 6.2839 6.2963 6.2964 6.4385 6.4453 6.8835 6.8875 8.0537 8.0551 8.0878 8.1095 8.2285 8.2418 8.2499 8.2874 8.3160 8.3588 8.3856 8.3994 8.4114 8.4382 8.4774 8.4878 8.5296 8.5400 8.6285 8.6289 9.0747 9.1635 9.1841 9.2953 11.3496 11.3661 k = 0.6262 0.3568-0.2164 ( 4522 PWs) bands (ev): -14.3872 -14.3649 -14.2517 -14.2283 -9.9852 -9.9780 -9.9780 -9.9223 -9.3799 -9.3371 -9.0445 -9.0319 -1.8287 -1.8031 -1.4122 -1.4055 1.2689 1.3178 1.5877 1.6385 2.1628 2.1668 2.6656 2.6992 3.0240 3.0289 3.4476 3.4563 3.8150 3.8189 3.9843 4.0034 4.5265 4.5726 5.0019 5.0121 5.3655 5.3782 5.4607 5.4841 6.2670 6.2839 6.2963 6.2964 6.4385 6.4453 6.8835 6.8875 8.0537 8.0551 8.0878 8.1095 8.2285 8.2418 8.2499 8.2874 8.3160 8.3588 8.3856 8.3994 8.4114 8.4382 8.4774 8.4878 8.5296 8.5400 8.6285 8.6289 9.0747 9.1635 9.1841 9.2953 11.3496 11.3661 k = 0.6212 0.3540-0.1997 ( 4524 PWs) bands (ev): -14.3805 -14.3595 -14.2595 -14.2375 -9.9773 -9.9708 -9.9669 -9.9229 -9.3701 -9.3303 -9.0596 -9.0468 -1.8241 -1.7983 -1.4700 -1.4642 1.2840 1.3269 1.6347 1.6763 2.1965 2.2035 2.6722 2.7035 3.0145 3.0188 3.4278 3.4385 3.8155 3.8217 3.9875 4.0055 4.5297 4.5726 4.9781 4.9858 5.3953 5.4104 5.4689 5.4902 6.2708 6.2876 6.3049 6.3052 6.4492 6.4563 6.8788 6.8826 8.0519 8.0533 8.0869 8.1081 8.2292 8.2414 8.2484 8.2909 8.3173 8.3564 8.3808 8.3853 8.4011 8.4349 8.4760 8.4920 8.5234 8.5354 8.6298 8.6303 9.0724 9.1532 9.1826 9.2880 11.3194 11.3356 k = 0.6161 0.3511-0.1831 ( 4538 PWs) bands (ev): -14.3743 -14.3547 -14.2670 -14.2463 -9.9724 -9.9582 -9.9556 -9.9212 -9.3611 -9.3245 -9.0751 -9.0622 -1.8256 -1.7996 -1.5268 -1.5220 1.3042 1.3426 1.6822 1.7161 2.2306 2.2399 2.6791 2.7080 3.0060 3.0097 3.4062 3.4185 3.8165 3.8246 3.9910 4.0072 4.5335 4.5729 4.9536 4.9589 5.4247 5.4407 5.4809 5.5013 6.2762 6.2927 6.3141 6.3147 6.4602 6.4675 6.8730 6.8767 8.0476 8.0516 8.0851 8.1060 8.2260 8.2423 8.2448 8.2919 8.3183 8.3530 8.3704 8.3746 8.3945 8.4332 8.4745 8.4956 8.5173 8.5309 8.6307 8.6313 9.0695 9.1426 9.1788 9.2780 11.2878 11.3031 k = 0.6111 0.3482-0.1664 ( 4533 PWs) bands (ev): -14.3687 -14.3505 -14.2741 -14.2547 -9.9659 -9.9447 -9.9443 -9.9170 -9.3531 -9.3196 -9.0911 -9.0780 -1.8326 -1.8066 -1.5823 -1.5785 1.3302 1.3655 1.7293 1.7567 2.2647 2.2760 2.6862 2.7126 2.9986 3.0017 3.3828 3.3966 3.8184 3.8278 3.9944 4.0083 4.5375 4.5730 4.9283 4.9313 5.4535 5.4675 5.4971 5.5188 6.2835 6.2996 6.3238 6.3247 6.4715 6.4790 6.8662 6.8697 8.0420 8.0485 8.0821 8.1032 8.2192 8.2387 8.2444 8.2898 8.3199 8.3487 8.3572 8.3693 8.3906 8.4322 8.4726 8.4982 8.5120 8.5274 8.6311 8.6318 9.0662 9.1317 9.1729 9.2655 11.2551 11.2693 k = 0.6060 0.3453-0.1497 ( 4535 PWs) bands (ev): -14.3637 -14.3469 -14.2809 -14.2629 -9.9577 -9.9333 -9.9307 -9.9103 -9.3459 -9.3157 -9.1075 -9.0943 -1.8448 -1.8190 -1.6366 -1.6336 1.3624 1.3953 1.7757 1.7975 2.2987 2.3116 2.6935 2.7171 2.9923 2.9948 3.3581 3.3731 3.8212 3.8318 3.9976 4.0088 4.5414 4.5727 4.9022 4.9030 5.4812 5.4904 5.5173 5.5430 6.2926 6.3083 6.3339 6.3352 6.4829 6.4906 6.8583 6.8617 8.0350 8.0436 8.0774 8.0991 8.2093 8.2299 8.2463 8.2853 8.3220 8.3419 8.3484 8.3660 8.3877 8.4315 8.4700 8.4987 8.5082 8.5259 8.6312 8.6319 9.0624 9.1207 9.1651 9.2508 11.2216 11.2346 k = 0.6010 0.3425-0.1330 ( 4533 PWs) bands (ev): -14.3592 -14.3438 -14.2873 -14.2706 -9.9477 -9.9226 -9.9163 -9.9010 -9.3398 -9.3128 -9.1242 -9.1108 -1.8615 -1.8362 -1.6894 -1.6873 1.4005 1.4317 1.8209 1.8380 2.3322 2.3464 2.7007 2.7214 2.9871 2.9889 3.3321 3.3482 3.8254 3.8368 4.0005 4.0088 4.5447 4.5716 4.8741 4.8754 5.5077 5.5113 5.5413 5.5717 6.3036 6.3188 6.3444 6.3462 6.4944 6.5022 6.8494 6.8526 8.0261 8.0365 8.0705 8.0930 8.1975 8.2189 8.2475 8.2800 8.3241 8.3336 8.3440 8.3649 8.3851 8.4311 8.4667 8.4965 8.5063 8.5272 8.6308 8.6316 9.0582 9.1094 9.1556 9.2342 11.1875 11.1993 k = 0.5959 0.3396-0.1164 ( 4527 PWs) bands (ev): -14.3553 -14.3413 -14.2934 -14.2780 -9.9361 -9.9118 -9.9014 -9.8896 -9.3347 -9.3109 -9.1412 -9.1277 -1.8822 -1.8574 -1.7406 -1.7393 1.4442 1.4741 1.8649 1.8779 2.3650 2.3803 2.7079 2.7255 2.9829 2.9840 3.3053 3.3221 3.8309 3.8430 4.0030 4.0083 4.5472 4.5695 4.8446 4.8477 5.5321 5.5340 5.5680 5.6024 6.3166 6.3311 6.3553 6.3576 6.5057 6.5137 6.8396 6.8425 8.0152 8.0270 8.0607 8.0836 8.1856 8.2073 8.2478 8.2748 8.3255 8.3264 8.3417 8.3650 8.3829 8.4306 8.4632 8.4924 8.5064 8.5305 8.6300 8.6308 9.0536 9.0981 9.1447 9.2163 11.1532 11.1637 k = 0.5909 0.3367-0.0997 ( 4525 PWs) bands (ev): -14.3519 -14.3392 -14.2991 -14.2850 -9.9228 -9.9004 -9.8862 -9.8768 -9.3307 -9.3101 -9.1586 -9.1449 -1.9061 -1.8821 -1.7901 -1.7896 1.4929 1.5217 1.9076 1.9170 2.3971 2.4132 2.7148 2.7292 2.9797 2.9800 3.2778 3.2953 3.8379 3.8506 4.0053 4.0076 4.5486 4.5661 4.8144 4.8193 5.5541 5.5607 5.5960 5.6337 6.3315 6.3451 6.3668 6.3696 6.5169 6.5249 6.8288 6.8314 8.0019 8.0148 8.0474 8.0698 8.1757 8.1967 8.2470 8.2699 8.3201 8.3257 8.3415 8.3644 8.3822 8.4300 8.4600 8.4876 8.5081 8.5349 8.6287 8.6295 9.0485 9.0868 9.1326 9.1972 11.1188 11.1282 k = 0.5858 0.3338-0.0830 ( 4525 PWs) bands (ev): -14.3491 -14.3377 -14.3044 -14.2916 -9.9082 -9.8880 -9.8707 -9.8630 -9.3278 -9.3105 -9.1762 -9.1624 -1.9325 -1.9096 -1.8380 -1.8379 1.5461 1.5738 1.9489 1.9552 2.4283 2.4449 2.7215 2.7324 2.9767 2.9774 3.2498 3.2679 3.8465 3.8596 4.0069 4.0074 4.5484 4.5613 4.7836 4.7901 5.5775 5.5881 5.6246 5.6647 6.3482 6.3606 6.3789 6.3820 6.5276 6.5357 6.8171 6.8196 7.9863 7.9997 8.0304 8.0511 8.1690 8.1884 8.2453 8.2651 8.3141 8.3246 8.3434 8.3613 8.3846 8.4291 8.4578 8.4829 8.5111 8.5397 8.6270 8.6278 9.0430 9.0754 9.1197 9.1775 11.0846 11.0929 k = 0.5808 0.3310-0.0663 ( 4520 PWs) bands (ev): -14.3466 -14.3366 -14.3094 -14.2978 -9.8922 -9.8746 -9.8548 -9.8484 -9.3261 -9.3120 -9.1940 -9.1802 -1.9608 -1.9392 -1.8843 -1.8837 1.6029 1.6296 1.9887 1.9924 2.4584 2.4753 2.7277 2.7352 2.9741 2.9758 3.2216 3.2401 3.8567 3.8700 4.0065 4.0096 4.5465 4.5548 4.7522 4.7602 5.6021 5.6161 5.6535 5.6951 6.3665 6.3770 6.3922 6.3951 6.5379 6.5460 6.8048 6.8070 7.9681 7.9816 8.0100 8.0284 8.1657 8.1827 8.2429 8.2603 8.3083 8.3223 8.3467 8.3555 8.3900 8.4279 8.4567 8.4788 8.5150 8.5448 8.6248 8.6256 9.0371 9.0641 9.1063 9.1575 11.0507 11.0581 k = 0.5757 0.3281-0.0497 ( 4532 PWs) bands (ev): -14.3447 -14.3358 -14.3140 -14.3036 -9.8751 -9.8601 -9.8386 -9.8333 -9.3256 -9.3146 -9.2121 -9.1981 -1.9904 -1.9703 -1.9284 -1.9275 1.6627 1.6882 2.0271 2.0284 2.4873 2.5044 2.7333 2.7373 2.9719 2.9748 3.1933 3.2122 3.8685 3.8820 4.0066 4.0121 4.5427 4.5466 4.7203 4.7296 5.6279 5.6444 5.6822 5.7245 6.3861 6.3935 6.4073 6.4088 6.5476 6.5558 6.7918 6.7938 7.9474 7.9606 7.9870 8.0028 8.1648 8.1794 8.2399 8.2553 8.3029 8.3191 8.3483 8.3508 8.3971 8.4262 8.4568 8.4757 8.5195 8.5498 8.6221 8.6228 9.0307 9.0529 9.0925 9.1375 11.0176 11.0240 k = 0.5707 0.3252-0.0330 ( 4544 PWs) bands (ev): -14.3432 -14.3355 -14.3183 -14.3090 -9.8569 -9.8445 -9.8222 -9.8178 -9.3264 -9.3184 -9.2302 -9.2161 -2.0206 -2.0023 -1.9702 -1.9692 1.7245 1.7487 2.0633 2.0640 2.5152 2.5321 2.7384 2.7388 2.9699 2.9742 3.1652 3.1844 3.8819 3.8954 4.0076 4.0151 4.5366 4.5367 4.6879 4.6984 5.6545 5.6725 5.7109 5.7525 6.4068 6.4092 6.4234 6.4250 6.5566 6.5649 6.7783 6.7802 7.9246 7.9368 7.9619 7.9757 8.1659 8.1782 8.2364 8.2502 8.2979 8.3152 8.3404 8.3546 8.4054 8.4246 8.4580 8.4740 8.5243 8.5545 8.6191 8.6197 9.0241 9.0419 9.0788 9.1178 10.9852 10.9908 k = 0.5656 0.3223-0.0163 ( 4536 PWs) bands (ev): -14.3420 -14.3354 -14.3222 -14.3140 -9.8379 -9.8280 -9.8056 -9.8020 -9.3283 -9.3233 -9.2485 -9.2343 -2.0508 -2.0346 -2.0094 -2.0085 1.7877 1.8104 2.0971 2.0994 2.5418 2.5584 2.7397 2.7429 2.9679 2.9738 3.1374 3.1569 3.8969 3.9103 4.0097 4.0189 4.5247 4.5285 4.6552 4.6666 5.6815 5.7000 5.7392 5.7791 6.4243 6.4276 6.4395 6.4449 6.5649 6.5734 6.7645 6.7663 7.9001 7.9109 7.9356 7.9477 8.1683 8.1785 8.2328 8.2451 8.2935 8.3107 8.3324 8.3572 8.4146 8.4239 8.4603 8.4737 8.5294 8.5590 8.6156 8.6161 9.0172 9.0313 9.0655 9.0988 10.9540 10.9588 k = 0.5606 0.3194 0.0004 ( 4536 PWs) bands (ev): -14.3411 -14.3356 -14.3257 -14.3185 -9.8182 -9.8106 -9.7888 -9.7859 -9.3314 -9.3293 -9.2669 -9.2524 -2.0806 -2.0666 -2.0460 -2.0456 1.8514 1.8723 2.1297 2.1333 2.5672 2.5833 2.7399 2.7467 2.9655 2.9733 3.1101 3.1299 3.9134 3.9266 4.0131 4.0237 4.5110 4.5180 4.6221 4.6344 5.7086 5.7265 5.7670 5.8038 6.4395 6.4471 6.4584 6.4661 6.5725 6.5811 6.7507 6.7523 7.8743 7.8835 7.9082 7.9191 8.1716 8.1799 8.2291 8.2397 8.2895 8.3055 8.3246 8.3573 8.4244 8.4251 8.4635 8.4748 8.5343 8.5630 8.6118 8.6121 9.0101 9.0210 9.0525 9.0805 10.9240 10.9280 k = 0.5555 0.3166 0.0171 ( 4538 PWs) bands (ev): -14.3406 -14.3360 -14.3288 -14.3227 -9.7980 -9.7926 -9.7719 -9.7696 -9.3364 -9.3357 -9.2852 -9.2705 -2.1094 -2.0978 -2.0802 -2.0801 1.9148 1.9337 2.1610 2.1657 2.5914 2.6068 2.7396 2.7498 2.9626 2.9726 3.0834 3.1037 3.9314 3.9441 4.0182 4.0296 4.4956 4.5051 4.5888 4.6018 5.7353 5.7517 5.7938 5.8267 6.4551 6.4648 6.4800 6.4879 6.5794 6.5881 6.7369 6.7384 7.8479 7.8554 7.8803 7.8901 8.1755 8.1821 8.2255 8.2344 8.2860 8.2999 8.3174 8.3544 8.4291 8.4346 8.4674 8.4770 8.5391 8.5663 8.6075 8.6077 9.0029 9.0112 9.0401 9.0633 10.8954 10.8988 k = 0.5505 0.3137 0.0337 ( 4543 PWs) bands (ev): -14.3403 -14.3366 -14.3316 -14.3264 -9.7775 -9.7741 -9.7550 -9.7532 -9.3444 -9.3411 -9.3034 -9.2885 -2.1369 -2.1276 -2.1123 -2.1117 1.9770 1.9936 2.1910 2.1965 2.6145 2.6290 2.7389 2.7523 2.9589 2.9712 3.0573 3.0783 3.9507 3.9629 4.0250 4.0369 4.4785 4.4900 4.5554 4.5689 5.7612 5.7755 5.8193 5.8474 6.4715 6.4821 6.5025 6.5097 6.5857 6.5944 6.7234 6.7249 7.8214 7.8272 7.8523 7.8611 8.1799 8.1849 8.2220 8.2291 8.2829 8.2938 8.3109 8.3486 8.4355 8.4451 8.4719 8.4802 8.5434 8.5689 8.6028 8.6029 8.9958 9.0020 9.0285 9.0472 10.8685 10.8713 k = 0.5454 0.3108 0.0504 ( 4538 PWs) bands (ev): -14.3403 -14.3373 -14.3341 -14.3297 -9.7570 -9.7553 -9.7382 -9.7368 -9.3534 -9.3476 -9.3213 -9.3062 -2.1626 -2.1554 -2.1418 -2.1408 2.0370 2.0512 2.2196 2.2256 2.6366 2.6500 2.7380 2.7542 2.9540 2.9692 3.0321 3.0540 3.9713 3.9828 4.0338 4.0457 4.4599 4.4728 4.5221 4.5358 5.7861 5.7977 5.8429 5.8659 6.4886 6.4996 6.5248 6.5308 6.5915 6.6003 6.7105 6.7117 7.7954 7.7998 7.8244 7.8322 8.1847 8.1879 8.2190 8.2239 8.2800 8.2876 8.3051 8.3408 8.4439 8.4558 8.4771 8.4841 8.5474 8.5709 8.5977 8.5979 8.9889 8.9934 9.0177 9.0324 10.8436 10.8458 k = 0.5404 0.3079 0.0671 ( 4532 PWs) bands (ev): -14.3404 -14.3381 -14.3362 -14.3326 -9.7368 -9.7364 -9.7217 -9.7206 -9.3632 -9.3550 -9.3390 -9.3236 -2.1863 -2.1809 -2.1685 -2.1674 2.0941 2.1056 2.2468 2.2529 2.6576 2.6697 2.7372 2.7558 2.9478 2.9662 3.0078 3.0309 3.9929 4.0036 4.0446 4.0561 4.4399 4.4536 4.4890 4.5027 5.8095 5.8183 5.8640 5.8820 6.5063 6.5172 6.5460 6.5508 6.5971 6.6058 6.6983 6.6993 7.7703 7.7735 7.7972 7.8040 8.1895 8.1910 8.2164 8.2190 8.2774 8.2816 8.3000 8.3317 8.4537 8.4665 8.4828 8.4888 8.5506 8.5718 8.5922 8.5926 8.9823 8.9857 9.0078 9.0189 10.8207 10.8223 k = 0.5353 0.3051 0.0838 ( 4540 PWs) bands (ev): -14.3406 -14.3390 -14.3379 -14.3351 -9.7178 -9.7171 -9.7054 -9.7046 -9.3737 -9.3632 -9.3561 -9.3403 -2.2076 -2.2037 -2.1926 -2.1914 2.1471 2.1559 2.2723 2.2781 2.6775 2.6882 2.7370 2.7572 2.9402 2.9621 2.9845 3.0093 4.0155 4.0251 4.0575 4.0681 4.4188 4.4327 4.4564 4.4698 5.8311 5.8374 5.8824 5.8956 6.5244 6.5349 6.5652 6.5686 6.6028 6.6114 6.6869 6.6875 7.7466 7.7489 7.7712 7.7768 8.1939 8.1944 8.2144 8.2145 8.2750 8.2761 8.2952 8.3218 8.4642 8.4771 8.4890 8.4939 8.5531 8.5718 8.5863 8.5869 8.9763 8.9787 8.9987 9.0068 10.8000 10.8012 k = 0.5303 0.3022 0.1004 ( 4537 PWs) bands (ev): -14.3410 -14.3399 -14.3394 -14.3372 -9.6997 -9.6983 -9.6897 -9.6892 -9.3845 -9.3725 -9.3719 -9.3562 -2.2263 -2.2236 -2.2138 -2.2127 2.1952 2.2015 2.2958 2.3010 2.6964 2.7054 2.7378 2.7587 2.9311 2.9570 2.9622 2.9893 4.0389 4.0472 4.0723 4.0817 4.3970 4.4104 4.4244 4.4374 5.8508 5.8549 5.8977 5.9068 6.5427 6.5524 6.5815 6.5833 6.6095 6.6175 6.6766 6.6766 7.7248 7.7265 7.7469 7.7512 8.1965 8.1991 8.2105 8.2131 8.2715 8.2728 8.2908 8.3119 8.4751 8.4873 8.4956 8.4996 8.5547 8.5707 8.5802 8.5811 8.9709 8.9728 8.9905 8.9960 10.7818 10.7826 k = 0.5252 0.2993 0.1171 ( 4543 PWs) bands (ev): -14.3414 -14.3407 -14.3406 -14.3390 -9.6827 -9.6810 -9.6749 -9.6746 -9.3954 -9.3878 -9.3809 -9.3710 -2.2423 -2.2405 -2.2320 -2.2311 2.2376 2.2417 2.3167 2.3209 2.7140 2.7213 2.7404 2.7605 2.9206 2.9411 2.9509 2.9712 4.0626 4.0695 4.0889 4.0967 4.3747 4.3873 4.3935 4.4057 5.8684 5.8707 5.9097 5.9154 6.5605 6.5691 6.5940 6.5940 6.6174 6.6245 6.6666 6.6673 7.7055 7.7067 7.7247 7.7278 8.1984 8.2035 8.2071 8.2125 8.2679 8.2707 8.2865 8.3020 8.4861 8.4969 8.5026 8.5055 8.5554 8.5685 8.5739 8.5750 8.9665 8.9679 8.9831 8.9867 10.7663 10.7668 k = 0.5202 0.2964 0.1338 ( 4542 PWs) bands (ev): -14.3418 -14.3415 -14.3414 -14.3404 -9.6671 -9.6655 -9.6613 -9.6612 -9.4059 -9.4017 -9.3897 -9.3842 -2.2553 -2.2543 -2.2472 -2.2466 2.2736 2.2760 2.3343 2.3373 2.7301 2.7356 2.7451 2.7628 2.9091 2.9214 2.9441 2.9554 4.0862 4.0916 4.1067 4.1127 4.3526 4.3639 4.3643 4.3753 5.8837 5.8848 5.9184 5.9216 6.5774 6.5843 6.6014 6.6028 6.6258 6.6321 6.6577 6.6595 7.6892 7.6901 7.7053 7.7073 8.1997 8.2044 8.2076 8.2126 8.2657 8.2689 8.2825 8.2928 8.4971 8.5057 8.5100 8.5118 8.5551 8.5652 8.5675 8.5688 8.9631 8.9640 8.9766 8.9787 10.7535 10.7538 k = 0.5151 0.2936 0.1505 ( 4540 PWs) bands (ev): -14.3423 -14.3421 -14.3421 -14.3415 -9.6536 -9.6526 -9.6496 -9.6495 -9.4155 -9.4136 -9.3978 -9.3953 -2.2654 -2.2648 -2.2593 -2.2589 2.3031 2.3043 2.3476 2.3493 2.7440 2.7479 2.7525 2.7654 2.8973 2.9035 2.9371 2.9423 4.1091 4.1128 4.1246 4.1287 4.3315 4.3376 4.3413 4.3473 5.8968 5.8971 5.9237 5.9253 6.5924 6.5974 6.6070 6.6089 6.6327 6.6390 6.6499 6.6532 7.6765 7.6771 7.6890 7.6901 8.2003 8.2024 8.2109 8.2133 8.2648 8.2676 8.2786 8.2846 8.5077 8.5135 8.5176 8.5180 8.5538 8.5608 8.5611 8.5626 8.9607 8.9614 8.9711 8.9722 10.7436 10.7438 k = 0.5101 0.2907 0.1671 ( 4542 PWs) bands (ev): -14.3426 -14.3425 -14.3425 -14.3422 -9.6431 -9.6425 -9.6406 -9.6404 -9.4233 -9.4227 -9.4045 -9.4037 -2.2723 -2.2721 -2.2683 -2.2681 2.3261 2.3266 2.3556 2.3563 2.7551 2.7578 2.7611 2.7678 2.8863 2.8886 2.9308 2.9325 4.1301 4.1321 4.1410 4.1431 4.3127 4.3150 4.3209 4.3232 5.9074 5.9075 5.9259 5.9265 6.6045 6.6071 6.6118 6.6135 6.6369 6.6436 6.6437 6.6488 7.6677 7.6681 7.6763 7.6768 8.2005 8.2011 8.2135 8.2142 8.2652 8.2668 8.2750 8.2777 8.5175 8.5206 8.5240 8.5245 8.5516 8.5548 8.5557 8.5564 8.9596 8.9599 8.9666 8.9671 10.7367 10.7368 k = 0.5050 0.2878 0.1838 ( 4544 PWs) bands (ev): -14.3428 -14.3428 -14.3427 -14.3427 -9.6361 -9.6359 -9.6349 -9.6348 -9.4286 -9.4285 -9.4090 -9.4089 -2.2762 -2.2761 -2.2741 -2.2741 2.3428 2.3429 2.3576 2.3578 2.7637 2.7648 2.7675 2.7692 2.8779 2.8782 2.9262 2.9265 4.1466 4.1471 4.1524 4.1531 4.2988 4.2992 4.3057 4.3061 5.9157 5.9158 5.9252 5.9253 6.6125 6.6132 6.6155 6.6162 6.6385 6.6396 6.6461 6.6468 7.6632 7.6634 7.6676 7.6678 8.2003 8.2004 8.2150 8.2151 8.2666 8.2672 8.2717 8.2724 8.5258 8.5268 8.5291 8.5296 8.5489 8.5496 8.5506 8.5508 8.9595 8.9598 8.9631 8.9633 10.7328 10.7329 k = 0.5000 0.2849 0.2005 ( 4544 PWs) bands (ev): -14.3429 -14.3429 -14.3429 -14.3429 -9.6333 -9.6333 -9.6333 -9.6333 -9.4305 -9.4305 -9.4107 -9.4107 -2.2768 -2.2768 -2.2768 -2.2768 2.3533 2.3533 2.3533 2.3533 2.7684 2.7684 2.7685 2.7685 2.8746 2.8746 2.9245 2.9245 4.1549 4.1549 4.1549 4.1549 4.2934 4.2934 4.2998 4.2998 5.9217 5.9217 5.9217 5.9217 6.6161 6.6161 6.6161 6.6161 6.6385 6.6385 6.6465 6.6465 7.6632 7.6632 7.6634 7.6634 8.2002 8.2002 8.2155 8.2155 8.2687 8.2687 8.2691 8.2691 8.5304 8.5304 8.5308 8.5308 8.5473 8.5473 8.5481 8.5481 8.9607 8.9607 8.9610 8.9610 10.7320 10.7320 k = 0.5000-0.2962-0.2085 ( 4524 PWs) bands (ev): -14.3637 -14.3637 -14.3010 -14.3010 -9.7461 -9.7461 -9.5790 -9.5790 -9.4488 -9.4488 -9.4321 -9.4321 -2.0383 -2.0383 -1.9887 -1.9887 2.0184 2.0184 2.0434 2.0434 2.8614 2.8614 2.8962 2.8962 3.2540 3.2540 3.2891 3.2891 3.8018 3.8018 3.9174 3.9174 4.1451 4.1451 4.1821 4.1821 5.0486 5.0486 5.0894 5.0894 6.4705 6.4705 6.4780 6.4780 6.7609 6.7609 6.7680 6.7680 8.0361 8.0361 8.1122 8.1122 8.1802 8.1802 8.1830 8.1830 8.2857 8.2857 8.3106 8.3106 8.3932 8.3932 8.3951 8.3951 8.5508 8.5508 8.5668 8.5668 9.1665 9.1665 9.4459 9.4459 11.3844 11.3844 k = 0.5101-0.2848-0.2004 ( 4530 PWs) bands (ev): -14.3638 -14.3634 -14.3010 -14.3009 -9.7551 -9.7393 -9.5916 -9.5716 -9.4557 -9.4396 -9.4373 -9.4224 -2.0380 -2.0362 -1.9884 -1.9868 1.9944 2.0239 2.0391 2.0592 2.8388 2.8706 2.8814 2.9202 3.2427 3.2640 3.2823 3.2939 3.7965 3.8100 3.9006 3.9352 4.1221 4.1489 4.1709 4.2187 5.0388 5.0601 5.0858 5.0944 6.4692 6.4706 6.4759 6.4786 6.7532 6.7595 6.7682 6.7759 8.0314 8.0417 8.1069 8.1176 8.1772 8.1779 8.1836 8.1882 8.2834 8.2887 8.3044 8.3176 8.3924 8.3932 8.3941 8.3976 8.5489 8.5526 8.5638 8.5698 9.1454 9.1869 9.4255 9.4651 11.3604 11.3668 k = 0.5202-0.2734-0.1924 ( 4534 PWs) bands (ev): -14.3637 -14.3628 -14.3010 -14.3007 -9.7661 -9.7351 -9.6073 -9.5714 -9.4558 -9.4449 -9.4235 -9.4110 -2.0354 -2.0318 -1.9859 -1.9829 1.9672 2.0007 2.0564 2.0712 2.8145 2.8439 2.8983 2.9419 3.2300 3.2727 3.2734 3.2969 3.7939 3.8209 3.8854 3.9532 4.1021 4.1201 4.1992 4.2582 5.0307 5.0731 5.0838 5.1009 6.4667 6.4694 6.4725 6.4778 6.7451 6.7506 6.7752 6.7835 8.0278 8.0483 8.1018 8.1233 8.1729 8.1751 8.1873 8.1933 8.2819 8.2924 8.2994 8.3253 8.3916 8.3920 8.3951 8.4005 8.5470 8.5544 8.5608 8.5728 9.1238 9.2063 9.4041 9.4830 11.3372 11.3434 k = 0.5303-0.2621-0.1844 ( 4535 PWs) bands (ev): -14.3634 -14.3620 -14.3009 -14.3003 -9.7785 -9.7337 -9.6247 -9.5787 -9.4490 -9.4477 -9.4086 -9.3981 -2.0305 -2.0252 -1.9811 -1.9768 1.9371 1.9738 2.0704 2.0795 2.7890 2.8165 2.9114 2.9609 3.2160 3.2622 3.2808 3.2987 3.7938 3.8342 3.8720 3.9702 4.0855 4.0969 4.2297 4.2999 5.0245 5.0832 5.0875 5.1087 6.4631 6.4670 6.4679 6.4755 6.7365 6.7411 6.7819 6.7908 8.0252 8.0560 8.0968 8.1292 8.1683 8.1736 8.1912 8.1981 8.2813 8.2955 8.2965 8.3336 8.3910 8.3915 8.3961 8.4038 8.5452 8.5560 8.5579 8.5757 9.1020 9.2247 9.3820 9.4993 11.3152 11.3210 k = 0.5404-0.2507-0.1764 ( 4531 PWs) bands (ev): -14.3631 -14.3609 -14.3009 -14.2998 -9.7922 -9.7350 -9.6431 -9.5916 -9.4482 -9.4372 -9.3933 -9.3840 -2.0232 -2.0163 -1.9743 -1.9686 1.9040 1.9434 2.0809 2.0841 2.7628 2.7886 2.9203 2.9764 3.2010 3.2485 3.2885 3.3002 3.7956 3.8493 3.8607 3.9833 4.0729 4.0823 4.2623 4.3432 5.0202 5.0842 5.1033 5.1178 6.4584 6.4621 6.4633 6.4719 6.7274 6.7311 6.7884 6.7977 8.0234 8.0645 8.0920 8.1354 8.1642 8.1729 8.1951 8.2024 8.2818 8.2930 8.3010 8.3425 8.3907 8.3918 8.3973 8.4075 8.5434 8.5550 8.5577 8.5785 9.0801 9.2419 9.3593 9.5140 11.2945 11.3000 k = 0.5505-0.2393-0.1684 ( 4528 PWs) bands (ev): -14.3626 -14.3594 -14.3010 -14.2992 -9.8067 -9.7390 -9.6620 -9.6079 -9.4465 -9.4224 -9.3782 -9.3689 -2.0138 -2.0053 -1.9652 -1.9586 1.8684 1.9096 2.0851 2.0878 2.7364 2.7606 2.9245 2.9880 3.1852 3.2320 3.2962 3.3022 3.7987 3.8515 3.8654 3.9883 4.0648 4.0802 4.2965 4.3877 5.0178 5.0866 5.1201 5.1281 6.4527 6.4552 6.4585 6.4670 6.7178 6.7206 6.7948 6.8043 8.0226 8.0738 8.0875 8.1418 8.1606 8.1727 8.1989 8.2061 8.2833 8.2919 8.3059 8.3515 8.3906 8.3930 8.3986 8.4115 8.5415 8.5522 8.5592 8.5812 9.0586 9.2576 9.3363 9.5270 11.2753 11.2804 k = 0.5606-0.2279-0.1603 ( 4532 PWs) bands (ev): -14.3620 -14.3577 -14.3011 -14.2983 -9.8218 -9.7453 -9.6813 -9.6261 -9.4430 -9.4061 -9.3633 -9.3531 -2.0022 -1.9922 -1.9542 -1.9467 1.8304 1.8729 2.0825 2.0912 2.7101 2.7327 2.9243 2.9955 3.1690 3.2129 3.3044 3.3057 3.8024 3.8444 3.8818 3.9846 4.0619 4.0912 4.3323 4.4326 5.0175 5.0905 5.1380 5.1395 6.4462 6.4473 6.4526 6.4608 6.7075 6.7094 6.8010 6.8107 8.0224 8.0830 8.0836 8.1480 8.1576 8.1732 8.2028 8.2091 8.2856 8.2922 8.3111 8.3604 8.3909 8.3952 8.4003 8.4159 8.5398 8.5495 8.5606 8.5835 9.0377 9.2718 9.3132 9.5380 11.2577 11.2625 k = 0.5707-0.2165-0.1523 ( 4534 PWs) bands (ev): -14.3615 -14.3556 -14.3014 -14.2973 -9.8372 -9.7536 -9.7007 -9.6454 -9.4381 -9.3894 -9.3487 -9.3366 -1.9887 -1.9771 -1.9412 -1.9331 1.7903 1.8335 2.0766 2.0910 2.6840 2.7048 2.9199 2.9988 3.1528 3.1913 3.3110 3.3132 3.8060 3.8390 3.8974 3.9764 4.0651 4.1106 4.3694 4.4776 5.0193 5.0958 5.1520 5.1566 6.4385 6.4388 6.4457 6.4534 6.6966 6.6976 6.8070 6.8168 8.0229 8.0789 8.0935 8.1535 8.1554 8.1745 8.2069 8.2117 8.2886 8.2939 8.3165 8.3682 8.3920 8.3984 8.4031 8.4207 8.5381 8.5468 8.5617 8.5855 9.0177 9.2844 9.2904 9.5470 11.2420 11.2465 k = 0.5808-0.2051-0.1443 ( 4540 PWs) bands (ev): -14.3609 -14.3531 -14.3018 -14.2960 -9.8527 -9.7635 -9.7200 -9.6653 -9.4321 -9.3730 -9.3342 -9.3197 -1.9734 -1.9600 -1.9264 -1.9177 1.7485 1.7918 2.0672 2.0873 2.6581 2.6771 2.9118 2.9982 3.1368 3.1678 3.3183 3.3224 3.8089 3.8350 3.9115 3.9677 4.0745 4.1346 4.4074 4.5221 5.0233 5.1025 5.1654 5.1759 6.4291 6.4308 6.4379 6.4451 6.6850 6.6852 6.8129 6.8228 8.0239 8.0751 8.1030 8.1542 8.1574 8.1771 8.2115 8.2141 8.2919 8.2967 8.3222 8.3738 8.3937 8.4023 8.4079 8.4260 8.5364 8.5443 8.5627 8.5870 8.9991 9.2681 9.2953 9.5540 11.2281 11.2326 k = 0.5909-0.1937-0.1363 ( 4535 PWs) bands (ev): -14.3604 -14.3503 -14.3024 -14.2944 -9.8680 -9.7748 -9.7393 -9.6853 -9.4254 -9.3576 -9.3195 -9.3024 -1.9566 -1.9410 -1.9103 -1.9006 1.7054 1.7484 2.0547 2.0801 2.6325 2.6495 2.9006 2.9941 3.1214 3.1432 3.3272 3.3321 3.8109 3.8321 3.9239 3.9601 4.0900 4.1611 4.4461 4.5656 5.0296 5.1106 5.1796 5.1957 6.4190 6.4222 6.4294 6.4360 6.6723 6.6728 6.8187 6.8285 8.0254 8.0717 8.1113 8.1548 8.1591 8.1815 8.2165 8.2168 8.2956 8.3002 8.3281 8.3770 8.3956 8.4066 8.4158 8.4322 8.5349 8.5419 8.5635 8.5879 8.9822 9.2467 9.3044 9.5587 11.2163 11.2208 k = 0.6010-0.1823-0.1283 ( 4527 PWs) bands (ev): -14.3599 -14.3471 -14.3033 -14.2926 -9.8830 -9.7870 -9.7584 -9.7054 -9.4185 -9.3438 -9.3041 -9.2848 -1.9387 -1.9201 -1.8931 -1.8816 1.6615 1.7039 2.0392 2.0694 2.6070 2.6220 2.8871 2.9868 3.1066 3.1186 3.3372 3.3421 3.8119 3.8297 3.9348 3.9544 4.1107 4.1891 4.4853 4.6078 5.0383 5.1199 5.1946 5.2159 6.4085 6.4131 6.4203 6.4262 6.6588 6.6601 6.8243 6.8340 8.0273 8.0686 8.1172 8.1578 8.1590 8.1872 8.2200 8.2222 8.2994 8.3041 8.3342 8.3784 8.3972 8.4111 8.4261 8.4392 8.5334 8.5397 8.5641 8.5881 8.9675 9.2264 9.3116 9.5612 11.2065 11.2112 k = 0.6111-0.1709-0.1202 ( 4531 PWs) bands (ev): -14.3596 -14.3435 -14.3044 -14.2905 -9.8976 -9.7999 -9.7771 -9.7253 -9.4115 -9.3320 -9.2879 -9.2671 -1.9200 -1.8974 -1.8753 -1.8608 1.6172 1.6588 2.0207 2.0553 2.5814 2.5944 2.8718 2.9764 3.0929 3.0953 3.3479 3.3521 3.8120 3.8276 3.9443 3.9505 4.1354 4.2181 4.5248 4.6481 5.0495 5.1304 5.2102 5.2361 6.3975 6.4036 6.4107 6.4159 6.6448 6.6467 6.8298 6.8393 8.0294 8.0659 8.1201 8.1575 8.1634 8.1934 8.2241 8.2282 8.3033 8.3082 8.3406 8.3788 8.3987 8.4154 8.4378 8.4470 8.5319 8.5376 8.5646 8.5873 8.9553 9.2076 9.3169 9.5612 11.1990 11.2040 k = 0.6212-0.1595-0.1122 ( 4526 PWs) bands (ev): -14.3594 -14.3396 -14.3058 -14.2881 -9.9114 -9.8133 -9.7955 -9.7448 -9.4047 -9.3223 -9.2708 -9.2493 -1.9010 -1.8726 -1.8575 -1.8379 1.5731 1.6137 1.9996 2.0381 2.5557 2.5667 2.8555 2.9626 3.0745 3.0802 3.3588 3.3622 3.8114 3.8256 3.9486 3.9530 4.1629 4.2477 4.5642 4.6863 5.0632 5.1421 5.2263 5.2564 6.3863 6.3938 6.4008 6.4053 6.6303 6.6329 6.8352 6.8445 8.0318 8.0635 8.1204 8.1553 8.1709 8.1995 8.2295 8.2343 8.3073 8.3122 8.3473 8.3788 8.4004 8.4193 8.4502 8.4554 8.5306 8.5357 8.5650 8.5857 8.9460 9.1906 9.3201 9.5589 11.1938 11.1993 k = 0.6313-0.1481-0.1042 ( 4526 PWs) bands (ev): -14.3595 -14.3352 -14.3076 -14.2854 -9.9245 -9.8271 -9.8134 -9.7640 -9.3982 -9.3147 -9.2531 -9.2315 -1.8821 -1.8461 -1.8400 -1.8132 1.5297 1.5695 1.9760 2.0178 2.5296 2.5388 2.8384 2.9454 3.0573 3.0686 3.3696 3.3720 3.8105 3.8237 3.9483 3.9609 4.1923 4.2776 4.6035 4.7221 5.0795 5.1548 5.2430 5.2765 6.3750 6.3838 6.3908 6.3945 6.6155 6.6187 6.8404 6.8494 8.0342 8.0615 8.1190 8.1526 8.1792 8.2053 8.2360 8.2402 8.3113 8.3158 8.3544 8.3784 8.4023 8.4228 8.4624 8.4639 8.5292 8.5339 8.5655 8.5833 8.9400 9.1756 9.3213 9.5540 11.1909 11.1971 k = 0.6413-0.1367-0.0962 ( 4524 PWs) bands (ev): -14.3597 -14.3304 -14.3097 -14.2824 -9.9366 -9.8410 -9.8308 -9.7826 -9.3923 -9.3089 -9.2349 -9.2137 -1.8638 -1.8230 -1.8177 -1.7867 1.4877 1.5266 1.9501 1.9947 2.5030 2.5105 2.8211 2.9251 3.0440 3.0584 3.3800 3.3816 3.8095 3.8218 3.9493 3.9681 4.2227 4.3074 4.6424 4.7555 5.0982 5.1685 5.2600 5.2964 6.3637 6.3736 6.3808 6.3837 6.6004 6.6040 6.8454 6.8541 8.0367 8.0598 8.1167 8.1495 8.1875 8.2106 8.2435 8.2457 8.3155 8.3190 8.3619 8.3777 8.4046 8.4260 8.4719 8.4742 8.5279 8.5322 8.5666 8.5804 8.9374 9.1628 9.3205 9.5466 11.1904 11.1975 k = 0.6514-0.1253-0.0882 ( 4519 PWs) bands (ev): -14.3602 -14.3252 -14.3123 -14.2790 -9.9477 -9.8550 -9.8475 -9.8006 -9.3871 -9.3047 -9.2167 -9.1960 -1.8464 -1.8072 -1.7875 -1.7585 1.4476 1.4859 1.9222 1.9691 2.4758 2.4817 2.8039 2.9027 3.0343 3.0495 3.3899 3.3909 3.8086 3.8201 3.9514 3.9746 4.2537 4.3370 4.6806 4.7864 5.1193 5.1832 5.2774 5.3159 6.3525 6.3634 6.3709 6.3731 6.5850 6.5891 6.8503 6.8587 8.0393 8.0584 8.1138 8.1462 8.1955 8.2153 8.2505 8.2517 8.3199 8.3216 8.3697 8.3769 8.4074 8.4290 8.4785 8.4844 8.5268 8.5306 8.5684 8.5776 8.9384 9.1526 9.3175 9.5366 11.1924 11.2006 k = 0.6615-0.1139-0.0801 ( 4522 PWs) bands (ev): -14.3611 -14.3196 -14.3153 -14.2754 -9.9576 -9.8690 -9.8635 -9.8180 -9.3825 -9.3021 -9.1983 -9.1784 -1.8306 -1.7928 -1.7558 -1.7287 1.4100 1.4480 1.8925 1.9411 2.4478 2.4524 2.7870 2.8791 3.0274 3.0418 3.3992 3.3998 3.8080 3.8186 3.9541 3.9803 4.2846 4.3660 4.7182 4.8149 5.1423 5.1986 5.2950 5.3350 6.3415 6.3534 6.3612 6.3627 6.5694 6.5740 6.8550 6.8630 8.0418 8.0573 8.1105 8.1428 8.2031 8.2193 8.2544 8.2599 8.3236 8.3244 8.3761 8.3777 8.4107 8.4318 8.4828 8.4924 8.5262 8.5290 8.5715 8.5759 8.9428 9.1449 9.3124 9.5238 11.1970 11.2063 k = 0.6716-0.1025-0.0721 ( 4525 PWs) bands (ev): -14.3622 -14.3187 -14.3136 -14.2714 -9.9662 -9.8828 -9.8787 -9.8347 -9.3787 -9.3009 -9.1801 -9.1609 -1.8167 -1.7803 -1.7225 -1.6975 1.3756 1.4136 1.8612 1.9112 2.4191 2.4225 2.7705 2.8553 3.0229 3.0355 3.4077 3.4082 3.8077 3.8175 3.9573 3.9853 4.3153 4.3942 4.7548 4.8414 5.1671 5.2149 5.3128 5.3535 6.3308 6.3436 6.3519 6.3527 6.5539 6.5588 6.8594 6.8670 8.0443 8.0564 8.1070 8.1392 8.2104 8.2227 8.2572 8.2678 8.3251 8.3290 8.3753 8.3855 8.4144 8.4346 8.4842 8.4968 8.5263 8.5274 8.5759 8.5766 8.9504 9.1398 9.3052 9.5083 11.2041 11.2147 k = 0.6817-0.0911-0.0641 ( 4533 PWs) bands (ev): -14.3638 -14.3226 -14.3073 -14.2672 -9.9734 -9.8965 -9.8931 -9.8505 -9.3758 -9.3011 -9.1621 -9.1437 -1.8053 -1.7703 -1.6878 -1.6650 1.3450 1.3833 1.8284 1.8795 2.3897 2.3919 2.7547 2.8319 3.0201 3.0304 3.4154 3.4163 3.8078 3.8167 3.9607 3.9894 4.3453 4.4214 4.7904 4.8660 5.1931 5.2318 5.3309 5.3715 6.3206 6.3341 6.3429 6.3431 6.5383 6.5435 6.8636 6.8708 8.0466 8.0557 8.1034 8.1356 8.2173 8.2253 8.2589 8.2748 8.3260 8.3337 8.3747 8.3927 8.4183 8.4377 8.4826 8.4971 8.5262 8.5274 8.5800 8.5816 8.9611 9.1372 9.2958 9.4901 11.2139 11.2258 k = 0.6918-0.0797-0.0561 ( 4525 PWs) bands (ev): -14.3657 -14.3271 -14.3005 -14.2626 -9.9792 -9.9100 -9.9067 -9.8653 -9.3737 -9.3027 -9.1442 -9.1267 -1.7967 -1.7632 -1.6517 -1.6311 1.3186 1.3576 1.7946 1.8464 2.3596 2.3608 2.7395 2.8092 3.0188 3.0265 3.4224 3.4238 3.8083 3.8163 3.9642 3.9928 4.3745 4.4474 4.8249 4.8892 5.2200 5.2495 5.3492 5.3890 6.3110 6.3251 6.3342 6.3344 6.5229 6.5284 6.8676 6.8744 8.0490 8.0553 8.1000 8.1320 8.2238 8.2274 8.2595 8.2806 8.3264 8.3384 8.3746 8.3990 8.4223 8.4412 8.4787 8.4936 8.5257 8.5290 8.5859 8.5883 8.9743 9.1370 9.2844 9.4692 11.2263 11.2396 k = 0.7019-0.0683-0.0481 ( 4525 PWs) bands (ev): -14.3681 -14.3320 -14.2933 -14.2576 -9.9834 -9.9232 -9.9195 -9.8790 -9.3725 -9.3055 -9.1267 -9.1100 -1.7916 -1.7594 -1.6145 -1.5961 1.2971 1.3372 1.7599 1.8121 2.3287 2.3290 2.7252 2.7876 3.0187 3.0237 3.4286 3.4308 3.8092 3.8163 3.9676 3.9955 4.4028 4.4721 4.8581 4.9112 5.2473 5.2677 5.3676 5.4059 6.3019 6.3166 6.3259 6.3264 6.5077 6.5135 6.8712 6.8776 8.0510 8.0549 8.0968 8.1283 8.2289 8.2299 8.2590 8.2851 8.3262 8.3430 8.3751 8.4039 8.4257 8.4447 8.4740 8.4878 8.5257 8.5310 8.5932 8.5956 8.9897 9.1389 9.2710 9.4456 11.2412 11.2560 k = 0.7120-0.0569-0.0400 ( 4524 PWs) bands (ev): -14.3710 -14.3375 -14.2857 -14.2524 -9.9860 -9.9360 -9.9318 -9.8914 -9.3722 -9.3095 -9.1095 -9.0936 -1.7902 -1.7593 -1.5760 -1.5599 1.2808 1.3223 1.7246 1.7770 2.2967 2.2973 2.7116 2.7672 3.0195 3.0220 3.4339 3.4372 3.8104 3.8166 3.9710 3.9976 4.4299 4.4954 4.8899 4.9324 5.2746 5.2865 5.3861 5.4223 6.2935 6.3087 6.3184 6.3190 6.4928 6.4988 6.8745 6.8804 8.0527 8.0546 8.0939 8.1246 8.2299 8.2353 8.2574 8.2881 8.3253 8.3473 8.3763 8.4072 8.4278 8.4469 8.4706 8.4816 8.5260 8.5330 8.6012 8.6030 9.0067 9.1426 9.2557 9.4195 11.2588 11.2749 k = 0.7221-0.0455-0.0320 ( 4522 PWs) bands (ev): -14.3743 -14.3435 -14.2777 -14.2468 -9.9870 -9.9485 -9.9437 -9.9021 -9.3728 -9.3148 -9.0926 -9.0776 -1.7931 -1.7634 -1.5365 -1.5227 1.2699 1.3131 1.6891 1.7416 2.2638 2.2652 2.6988 2.7482 3.0210 3.0212 3.4385 3.4430 3.8117 3.8172 3.9743 3.9992 4.4559 4.5171 4.9202 4.9529 5.3017 5.3057 5.4047 5.4382 6.2858 6.3015 6.3116 6.3123 6.4783 6.4846 6.8774 6.8829 8.0541 8.0545 8.0914 8.1208 8.2303 8.2402 8.2548 8.2897 8.3237 8.3512 8.3783 8.4087 8.4277 8.4458 8.4711 8.4767 8.5266 8.5349 8.6090 8.6102 9.0247 9.1476 9.2387 9.3909 11.2787 11.2961 k = 0.7322-0.0341-0.0240 ( 4518 PWs) bands (ev): -14.3781 -14.3501 -14.2694 -14.2410 -9.9863 -9.9606 -9.9552 -9.9109 -9.3743 -9.3212 -9.0761 -9.0619 -1.8003 -1.7720 -1.4959 -1.4845 1.2645 1.3097 1.6538 1.7062 2.2305 2.2328 2.6869 2.7305 3.0213 3.0232 3.4423 3.4481 3.8131 3.8178 3.9775 4.0006 4.4807 4.5372 4.9490 4.9730 5.3254 5.3282 5.4234 5.4537 6.2788 6.2949 6.3057 6.3062 6.4644 6.4709 6.8800 6.8849 8.0543 8.0551 8.0896 8.1171 8.2303 8.2443 8.2512 8.2901 8.3215 8.3545 8.3810 8.4081 8.4244 8.4423 8.4745 8.4755 8.5275 8.5368 8.6165 8.6170 9.0429 9.1533 9.2204 9.3603 11.3009 11.3193 k = 0.7423-0.0227-0.0160 ( 4521 PWs) bands (ev): -14.3824 -14.3572 -14.2608 -14.2348 -9.9841 -9.9720 -9.9667 -9.9177 -9.3767 -9.3286 -9.0601 -9.0467 -1.8122 -1.7852 -1.4545 -1.4454 1.2644 1.3116 1.6196 1.6715 2.1968 2.1999 2.6758 2.7142 3.0223 3.0258 3.4453 3.4526 3.8143 3.8185 3.9808 4.0019 4.5042 4.5557 4.9762 4.9926 5.3454 5.3538 5.4421 5.4690 6.2726 6.2890 6.3006 6.3009 6.4511 6.4577 6.8820 6.8865 8.0541 8.0554 8.0883 8.1133 8.2297 8.2468 8.2476 8.2893 8.3188 8.3571 8.3837 8.4050 8.4183 8.4393 8.4750 8.4814 8.5284 8.5385 8.6231 8.6232 9.0603 9.1591 9.2017 9.3280 11.3249 11.3440 k = 0.7524-0.0113-0.0080 ( 4522 PWs) bands (ev): -14.3872 -14.3649 -14.2517 -14.2283 -9.9852 -9.9780 -9.9780 -9.9223 -9.3799 -9.3371 -9.0445 -9.0319 -1.8287 -1.8031 -1.4122 -1.4055 1.2689 1.3178 1.5877 1.6385 2.1628 2.1668 2.6656 2.6992 3.0240 3.0289 3.4476 3.4563 3.8150 3.8189 3.9843 4.0034 4.5265 4.5726 5.0019 5.0121 5.3655 5.3782 5.4607 5.4841 6.2670 6.2839 6.2963 6.2964 6.4385 6.4453 6.8835 6.8875 8.0537 8.0551 8.0878 8.1095 8.2285 8.2418 8.2499 8.2874 8.3160 8.3588 8.3856 8.3994 8.4114 8.4382 8.4774 8.4878 8.5296 8.5400 8.6285 8.6289 9.0747 9.1635 9.1841 9.2953 11.3496 11.3661 Writing output data file FeBiO3.save init_run : 3.31s CPU 12.08s WALL ( 1 calls) electrons : 1150.75s CPU 1162.08s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.53s CPU 2.01s WALL ( 1 calls) Called by electrons: c_bands : 1150.72s CPU 1161.82s WALL ( 1 calls) v_of_rho : 0.29s CPU 0.86s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.28s CPU 0.55s WALL ( 1 calls) newd : 0.30s CPU 0.54s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 258 calls) cegterg : 1100.65s CPU 1108.91s WALL ( 730 calls) Called by sum_band: Called by *egterg: h_psi : 372.95s CPU 382.39s WALL ( 13047 calls) s_psi : 40.95s CPU 41.83s WALL ( 13047 calls) g_psi : 1.03s CPU 1.00s WALL ( 12059 calls) cdiaghg : 521.44s CPU 520.22s WALL ( 12317 calls) cegterg:over : 98.51s CPU 95.46s WALL ( 12059 calls) cegterg:upda : 24.81s CPU 27.91s WALL ( 12059 calls) cegterg:last : 20.98s CPU 21.62s WALL ( 1801 calls) Called by h_psi: h_psi:vloc : 272.14s CPU 279.60s WALL ( 13047 calls) h_psi:vnl : 100.32s CPU 101.65s WALL ( 13047 calls) add_vuspsi : 34.11s CPU 38.18s WALL ( 13047 calls) General routines calbec : 66.15s CPU 63.36s WALL ( 13047 calls) fft : 0.71s CPU 1.62s WALL ( 19 calls) ffts : 0.02s CPU 0.54s WALL ( 4 calls) fftw : 245.57s CPU 258.33s WALL ( 1603636 calls) interpolate : 0.07s CPU 0.59s WALL ( 4 calls) davcio : 0.03s CPU 1.73s WALL ( 516 calls) Parallel routines fft_scatter : 154.09s CPU 170.97s WALL ( 1603659 calls) PWSCF : 20m10.31s CPU 22m12.83s WALL This run was terminated on: 3:58:33 21Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=