Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 6: 9: 3 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./CdPSe3.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 114 27 7 6280 710 106 Max 115 28 8 6282 743 111 Sum 8225 1959 547 452219 52501 7833 bravais-lattice index = 14 lattice parameter (alat) = 14.4992 a.u. unit-cell volume = 1657.5775 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 70.00 number of Kohn-Sham states= 84 kinetic-energy cutoff = 38.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.499160 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.639827 celldm(5)= 0.639827 celldm(6)= 0.639827 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.639827 0.768519 0.000000 ) a(3) = ( 0.639827 0.299860 0.707605 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.832546 -0.551409 ) b(2) = ( 0.000000 1.301204 -0.551409 ) b(3) = ( 0.000000 0.000000 1.413218 ) PseudoPot. # 1 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 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. # 2 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d 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 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cd 12.00 112.41100 Cd( 1.00) Se 6.00 78.96000 Se( 1.00) P 5.00 30.97380 P( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 211 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047393 k( 2) = ( 0.0172414 -0.0143542 -0.0095071), wk = 0.0047393 k( 3) = ( 0.0344828 -0.0287085 -0.0190141), wk = 0.0047393 k( 4) = ( 0.0517241 -0.0430627 -0.0285212), wk = 0.0047393 k( 5) = ( 0.0689655 -0.0574170 -0.0380282), wk = 0.0047393 k( 6) = ( 0.0862069 -0.0717712 -0.0475353), wk = 0.0047393 k( 7) = ( 0.1034483 -0.0861255 -0.0570423), wk = 0.0047393 k( 8) = ( 0.1206897 -0.1004797 -0.0665494), wk = 0.0047393 k( 9) = ( 0.1379310 -0.1148340 -0.0760564), wk = 0.0047393 k( 10) = ( 0.1551724 -0.1291882 -0.0855635), wk = 0.0047393 k( 11) = ( 0.1724138 -0.1435424 -0.0950705), wk = 0.0047393 k( 12) = ( 0.1896552 -0.1578967 -0.1045776), wk = 0.0047393 k( 13) = ( 0.2068966 -0.1722509 -0.1140846), wk = 0.0047393 k( 14) = ( 0.2241379 -0.1866052 -0.1235917), wk = 0.0047393 k( 15) = ( 0.2413793 -0.2009594 -0.1330987), wk = 0.0047393 k( 16) = ( 0.2586207 -0.2153137 -0.1426058), wk = 0.0047393 k( 17) = ( 0.2758621 -0.2296679 -0.1521128), wk = 0.0047393 k( 18) = ( 0.2931034 -0.2440222 -0.1616199), wk = 0.0047393 k( 19) = ( 0.3103448 -0.2583764 -0.1711269), wk = 0.0047393 k( 20) = ( 0.3275862 -0.2727306 -0.1806340), wk = 0.0047393 k( 21) = ( 0.3448276 -0.2870849 -0.1901410), wk = 0.0047393 k( 22) = ( 0.3620690 -0.3014391 -0.1996481), wk = 0.0047393 k( 23) = ( 0.3793103 -0.3157934 -0.2091551), wk = 0.0047393 k( 24) = ( 0.3965517 -0.3301476 -0.2186622), wk = 0.0047393 k( 25) = ( 0.4137931 -0.3445019 -0.2281692), wk = 0.0047393 k( 26) = ( 0.4310345 -0.3588561 -0.2376763), wk = 0.0047393 k( 27) = ( 0.4482759 -0.3732104 -0.2471833), wk = 0.0047393 k( 28) = ( 0.4655172 -0.3875646 -0.2566904), wk = 0.0047393 k( 29) = ( 0.4827586 -0.4019188 -0.2661974), wk = 0.0047393 k( 30) = ( 0.5000000 -0.4162731 -0.2757045), wk = 0.0047393 k( 31) = ( 0.5000000 -0.4162731 -0.2757045), wk = 0.0047393 k( 32) = ( 0.5000000 -0.4033006 -0.2952910), wk = 0.0047393 k( 33) = ( 0.5000000 -0.3903281 -0.3148776), wk = 0.0047393 k( 34) = ( 0.5000000 -0.3773556 -0.3344642), wk = 0.0047393 k( 35) = ( 0.5000000 -0.3643831 -0.3540507), wk = 0.0047393 k( 36) = ( 0.5000000 -0.3514106 -0.3736373), wk = 0.0047393 k( 37) = ( 0.5000000 -0.3384381 -0.3932239), wk = 0.0047393 k( 38) = ( 0.5000000 -0.3254656 -0.4128105), wk = 0.0047393 k( 39) = ( 0.5000000 -0.3124931 -0.4323970), wk = 0.0047393 k( 40) = ( 0.5000000 -0.2995206 -0.4519836), wk = 0.0047393 k( 41) = ( 0.5000000 -0.2865481 -0.4715701), wk = 0.0047393 k( 42) = ( 0.5000000 -0.2735756 -0.4911567), wk = 0.0047393 k( 43) = ( 0.5000000 -0.2606030 -0.5107433), wk = 0.0047393 k( 44) = ( 0.5000000 -0.2476305 -0.5303299), wk = 0.0047393 k( 45) = ( 0.5000000 -0.2346580 -0.5499164), wk = 0.0047393 k( 46) = ( 0.5000000 -0.2216855 -0.5695030), wk = 0.0047393 k( 47) = ( 0.5000000 -0.2087130 -0.5890896), wk = 0.0047393 k( 48) = ( 0.5000000 -0.1957405 -0.6086761), wk = 0.0047393 k( 49) = ( 0.5000000 -0.1827680 -0.6282627), wk = 0.0047393 k( 50) = ( 0.5000000 -0.1697955 -0.6478493), wk = 0.0047393 k( 51) = ( 0.5000000 -0.1568230 -0.6674358), wk = 0.0047393 k( 52) = ( 0.5000000 -0.1438505 -0.6870224), wk = 0.0047393 k( 53) = ( 0.5000000 -0.1308780 -0.7066090), wk = 0.0047393 k( 54) = ( 0.7806685 0.0006596 -0.3962089), wk = 0.0047393 k( 55) = ( 0.7706447 0.0090050 -0.3765157), wk = 0.0047393 k( 56) = ( 0.7606208 0.0173503 -0.3568226), wk = 0.0047393 k( 57) = ( 0.7505969 0.0256957 -0.3371294), wk = 0.0047393 k( 58) = ( 0.7405730 0.0340410 -0.3174362), wk = 0.0047393 k( 59) = ( 0.7305491 0.0423863 -0.2977430), wk = 0.0047393 k( 60) = ( 0.7205253 0.0507317 -0.2780498), wk = 0.0047393 k( 61) = ( 0.7105014 0.0590770 -0.2583567), wk = 0.0047393 k( 62) = ( 0.7004775 0.0674224 -0.2386635), wk = 0.0047393 k( 63) = ( 0.6904537 0.0757677 -0.2189703), wk = 0.0047393 k( 64) = ( 0.6804298 0.0841130 -0.1992771), wk = 0.0047393 k( 65) = ( 0.6704059 0.0924584 -0.1795840), wk = 0.0047393 k( 66) = ( 0.6603820 0.1008037 -0.1598908), wk = 0.0047393 k( 67) = ( 0.6503581 0.1091491 -0.1401976), wk = 0.0047393 k( 68) = ( 0.6403343 0.1174944 -0.1205044), wk = 0.0047393 k( 69) = ( 0.6303104 0.1258397 -0.1008113), wk = 0.0047393 k( 70) = ( 0.6202865 0.1341851 -0.0811181), wk = 0.0047393 k( 71) = ( 0.6102626 0.1425304 -0.0614249), wk = 0.0047393 k( 72) = ( 0.6002388 0.1508758 -0.0417317), wk = 0.0047393 k( 73) = ( 0.5902149 0.1592211 -0.0220385), wk = 0.0047393 k( 74) = ( 0.5801910 0.1675664 -0.0023454), wk = 0.0047393 k( 75) = ( 0.5701671 0.1759118 0.0173478), wk = 0.0047393 k( 76) = ( 0.5601433 0.1842571 0.0370410), wk = 0.0047393 k( 77) = ( 0.5501194 0.1926025 0.0567341), wk = 0.0047393 k( 78) = ( 0.5400955 0.2009478 0.0764273), wk = 0.0047393 k( 79) = ( 0.5300716 0.2092931 0.0961205), wk = 0.0047393 k( 80) = ( 0.5200478 0.2176385 0.1158137), wk = 0.0047393 k( 81) = ( 0.5100239 0.2259838 0.1355068), wk = 0.0047393 k( 82) = ( 0.5000000 0.2343292 0.1552000), wk = 0.0047393 k( 83) = ( 0.5000000 0.2343292 0.1552000), wk = 0.0047393 k( 84) = ( 0.4791667 0.2245654 0.1487334), wk = 0.0047393 k( 85) = ( 0.4583333 0.2148017 0.1422667), wk = 0.0047393 k( 86) = ( 0.4375000 0.2050380 0.1358000), wk = 0.0047393 k( 87) = ( 0.4166667 0.1952743 0.1293334), wk = 0.0047393 k( 88) = ( 0.3958333 0.1855106 0.1228667), wk = 0.0047393 k( 89) = ( 0.3750000 0.1757469 0.1164000), wk = 0.0047393 k( 90) = ( 0.3541667 0.1659832 0.1099334), wk = 0.0047393 k( 91) = ( 0.3333333 0.1562194 0.1034667), wk = 0.0047393 k( 92) = ( 0.3125000 0.1464557 0.0970000), wk = 0.0047393 k( 93) = ( 0.2916667 0.1366920 0.0905334), wk = 0.0047393 k( 94) = ( 0.2708333 0.1269283 0.0840667), wk = 0.0047393 k( 95) = ( 0.2500000 0.1171646 0.0776000), wk = 0.0047393 k( 96) = ( 0.2291667 0.1074009 0.0711333), wk = 0.0047393 k( 97) = ( 0.2083333 0.0976371 0.0646667), wk = 0.0047393 k( 98) = ( 0.1875000 0.0878734 0.0582000), wk = 0.0047393 k( 99) = ( 0.1666667 0.0781097 0.0517333), wk = 0.0047393 k( 100) = ( 0.1458333 0.0683460 0.0452667), wk = 0.0047393 k( 101) = ( 0.1250000 0.0585823 0.0388000), wk = 0.0047393 k( 102) = ( 0.1041667 0.0488186 0.0323333), wk = 0.0047393 k( 103) = ( 0.0833333 0.0390549 0.0258667), wk = 0.0047393 k( 104) = ( 0.0625000 0.0292911 0.0194000), wk = 0.0047393 k( 105) = ( 0.0416667 0.0195274 0.0129333), wk = 0.0047393 k( 106) = ( 0.0208333 0.0097637 0.0064667), wk = 0.0047393 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047393 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047393 k( 109) = ( 0.0102762 -0.0085554 -0.0201888), wk = 0.0047393 k( 110) = ( 0.0205523 -0.0171108 -0.0403777), wk = 0.0047393 k( 111) = ( 0.0308285 -0.0256661 -0.0605665), wk = 0.0047393 k( 112) = ( 0.0411047 -0.0342215 -0.0807553), wk = 0.0047393 k( 113) = ( 0.0513808 -0.0427769 -0.1009441), wk = 0.0047393 k( 114) = ( 0.0616570 -0.0513323 -0.1211330), wk = 0.0047393 k( 115) = ( 0.0719332 -0.0598877 -0.1413218), wk = 0.0047393 k( 116) = ( 0.0822093 -0.0684430 -0.1615106), wk = 0.0047393 k( 117) = ( 0.0924855 -0.0769984 -0.1816994), wk = 0.0047393 k( 118) = ( 0.1027616 -0.0855538 -0.2018883), wk = 0.0047393 k( 119) = ( 0.1130378 -0.0941092 -0.2220771), wk = 0.0047393 k( 120) = ( 0.1233140 -0.1026646 -0.2422659), wk = 0.0047393 k( 121) = ( 0.1335901 -0.1112200 -0.2624548), wk = 0.0047393 k( 122) = ( 0.1438663 -0.1197753 -0.2826436), wk = 0.0047393 k( 123) = ( 0.1541425 -0.1283307 -0.3028324), wk = 0.0047393 k( 124) = ( 0.1644186 -0.1368861 -0.3230212), wk = 0.0047393 k( 125) = ( 0.1746948 -0.1454415 -0.3432101), wk = 0.0047393 k( 126) = ( 0.1849709 -0.1539969 -0.3633989), wk = 0.0047393 k( 127) = ( 0.1952471 -0.1625522 -0.3835877), wk = 0.0047393 k( 128) = ( 0.2055233 -0.1711076 -0.4037766), wk = 0.0047393 k( 129) = ( 0.2157994 -0.1796630 -0.4239654), wk = 0.0047393 k( 130) = ( 0.2260756 -0.1882184 -0.4441542), wk = 0.0047393 k( 131) = ( 0.2363518 -0.1967738 -0.4643430), wk = 0.0047393 k( 132) = ( 0.2466279 -0.2053291 -0.4845319), wk = 0.0047393 k( 133) = ( 0.2569041 -0.2138845 -0.5047207), wk = 0.0047393 k( 134) = ( 0.2671803 -0.2224399 -0.5249095), wk = 0.0047393 k( 135) = ( 0.2774564 -0.2309953 -0.5450983), wk = 0.0047393 k( 136) = ( 0.2877326 -0.2395507 -0.5652872), wk = 0.0047393 k( 137) = ( 0.2980087 -0.2481060 -0.5854760), wk = 0.0047393 k( 138) = ( 0.3082849 -0.2566614 -0.6056648), wk = 0.0047393 k( 139) = ( 0.3185611 -0.2652168 -0.6258537), wk = 0.0047393 k( 140) = ( 0.3288372 -0.2737722 -0.6460425), wk = 0.0047393 k( 141) = ( 0.3391134 -0.2823276 -0.6662313), wk = 0.0047393 k( 142) = ( 0.3493896 -0.2908830 -0.6864201), wk = 0.0047393 k( 143) = ( 0.3596657 -0.2994383 -0.7066090), wk = 0.0047393 k( 144) = ( 0.6403343 -0.0651092 -0.5514089), wk = 0.0047393 k( 145) = ( 0.6303104 -0.0437207 -0.5514089), wk = 0.0047393 k( 146) = ( 0.6202865 -0.0223323 -0.5514089), wk = 0.0047393 k( 147) = ( 0.6102626 -0.0009438 -0.5514089), wk = 0.0047393 k( 148) = ( 0.6002388 0.0204446 -0.5514089), wk = 0.0047393 k( 149) = ( 0.5902149 0.0418331 -0.5514089), wk = 0.0047393 k( 150) = ( 0.5801910 0.0632215 -0.5514089), wk = 0.0047393 k( 151) = ( 0.5701671 0.0846100 -0.5514089), wk = 0.0047393 k( 152) = ( 0.5601433 0.1059984 -0.5514089), wk = 0.0047393 k( 153) = ( 0.5501194 0.1273869 -0.5514089), wk = 0.0047393 k( 154) = ( 0.5400955 0.1487754 -0.5514089), wk = 0.0047393 k( 155) = ( 0.5300716 0.1701638 -0.5514089), wk = 0.0047393 k( 156) = ( 0.5200478 0.1915523 -0.5514089), wk = 0.0047393 k( 157) = ( 0.5100239 0.2129407 -0.5514089), wk = 0.0047393 k( 158) = ( 0.5000000 0.2343292 -0.5514089), wk = 0.0047393 k( 159) = ( 0.5000000 0.2343292 -0.5514089), wk = 0.0047393 k( 160) = ( 0.5155927 0.2416368 -0.5341645), wk = 0.0047393 k( 161) = ( 0.5311854 0.2489445 -0.5169200), wk = 0.0047393 k( 162) = ( 0.5467781 0.2562521 -0.4996756), wk = 0.0047393 k( 163) = ( 0.5623708 0.2635597 -0.4824312), wk = 0.0047393 k( 164) = ( 0.5779635 0.2708674 -0.4651867), wk = 0.0047393 k( 165) = ( 0.5935562 0.2781750 -0.4479423), wk = 0.0047393 k( 166) = ( 0.6091489 0.2854827 -0.4306978), wk = 0.0047393 k( 167) = ( 0.6247416 0.2927903 -0.4134534), wk = 0.0047393 k( 168) = ( 0.6403343 0.3000980 -0.3962089), wk = 0.0047393 k( 169) = ( 0.6403343 0.3000980 -0.3962089), wk = 0.0047393 k( 170) = ( 0.6344870 0.2973576 -0.3732335), wk = 0.0047393 k( 171) = ( 0.6286397 0.2946172 -0.3502582), wk = 0.0047393 k( 172) = ( 0.6227925 0.2918769 -0.3272828), wk = 0.0047393 k( 173) = ( 0.6169452 0.2891365 -0.3043074), wk = 0.0047393 k( 174) = ( 0.6110980 0.2863961 -0.2813320), wk = 0.0047393 k( 175) = ( 0.6052507 0.2836558 -0.2583567), wk = 0.0047393 k( 176) = ( 0.5994034 0.2809154 -0.2353813), wk = 0.0047393 k( 177) = ( 0.5935562 0.2781750 -0.2124059), wk = 0.0047393 k( 178) = ( 0.5877089 0.2754347 -0.1894306), wk = 0.0047393 k( 179) = ( 0.5818617 0.2726943 -0.1664552), wk = 0.0047393 k( 180) = ( 0.5760144 0.2699539 -0.1434798), wk = 0.0047393 k( 181) = ( 0.5701671 0.2672136 -0.1205044), wk = 0.0047393 k( 182) = ( 0.5643199 0.2644732 -0.0975291), wk = 0.0047393 k( 183) = ( 0.5584726 0.2617328 -0.0745537), wk = 0.0047393 k( 184) = ( 0.5526254 0.2589925 -0.0515783), wk = 0.0047393 k( 185) = ( 0.5467781 0.2562521 -0.0286030), wk = 0.0047393 k( 186) = ( 0.5409308 0.2535117 -0.0056276), wk = 0.0047393 k( 187) = ( 0.5350836 0.2507714 0.0173478), wk = 0.0047393 k( 188) = ( 0.5292363 0.2480310 0.0403232), wk = 0.0047393 k( 189) = ( 0.5233890 0.2452906 0.0632985), wk = 0.0047393 k( 190) = ( 0.5175418 0.2425503 0.0862739), wk = 0.0047393 k( 191) = ( 0.5116945 0.2398099 0.1092493), wk = 0.0047393 k( 192) = ( 0.5058473 0.2370695 0.1322247), wk = 0.0047393 k( 193) = ( 0.5000000 0.2343292 0.1552000), wk = 0.0047393 k( 194) = ( 0.5000000 -0.4162731 -0.2757045), wk = 0.0047393 k( 195) = ( 0.5165099 -0.4024890 -0.2665751), wk = 0.0047393 k( 196) = ( 0.5330198 -0.3887050 -0.2574456), wk = 0.0047393 k( 197) = ( 0.5495297 -0.3749209 -0.2483162), wk = 0.0047393 k( 198) = ( 0.5660397 -0.3611368 -0.2391868), wk = 0.0047393 k( 199) = ( 0.5825496 -0.3473528 -0.2300574), wk = 0.0047393 k( 200) = ( 0.5990595 -0.3335687 -0.2209280), wk = 0.0047393 k( 201) = ( 0.6155694 -0.3197846 -0.2117986), wk = 0.0047393 k( 202) = ( 0.6320793 -0.3060006 -0.2026692), wk = 0.0047393 k( 203) = ( 0.6485892 -0.2922165 -0.1935397), wk = 0.0047393 k( 204) = ( 0.6650991 -0.2784324 -0.1844103), wk = 0.0047393 k( 205) = ( 0.6816091 -0.2646483 -0.1752809), wk = 0.0047393 k( 206) = ( 0.6981190 -0.2508643 -0.1661515), wk = 0.0047393 k( 207) = ( 0.7146289 -0.2370802 -0.1570221), wk = 0.0047393 k( 208) = ( 0.7311388 -0.2232961 -0.1478927), wk = 0.0047393 k( 209) = ( 0.7476487 -0.2095121 -0.1387633), wk = 0.0047393 k( 210) = ( 0.7641586 -0.1957280 -0.1296339), wk = 0.0047393 k( 211) = ( 0.7806685 -0.1819439 -0.1205044), wk = 0.0047393 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047393 k( 2) = ( 0.0172414 0.0000000 0.0000000), wk = 0.0047393 k( 3) = ( 0.0344828 0.0000000 0.0000000), wk = 0.0047393 k( 4) = ( 0.0517241 0.0000000 -0.0000000), wk = 0.0047393 k( 5) = ( 0.0689655 0.0000000 0.0000000), wk = 0.0047393 k( 6) = ( 0.0862069 -0.0000000 0.0000000), wk = 0.0047393 k( 7) = ( 0.1034483 0.0000000 -0.0000000), wk = 0.0047393 k( 8) = ( 0.1206897 -0.0000000 -0.0000000), wk = 0.0047393 k( 9) = ( 0.1379310 0.0000000 0.0000000), wk = 0.0047393 k( 10) = ( 0.1551724 -0.0000000 0.0000000), wk = 0.0047393 k( 11) = ( 0.1724138 -0.0000000 -0.0000000), wk = 0.0047393 k( 12) = ( 0.1896552 0.0000000 -0.0000000), wk = 0.0047393 k( 13) = ( 0.2068966 0.0000000 0.0000000), wk = 0.0047393 k( 14) = ( 0.2241379 0.0000000 -0.0000000), wk = 0.0047393 k( 15) = ( 0.2413793 0.0000000 0.0000000), wk = 0.0047393 k( 16) = ( 0.2586207 0.0000000 -0.0000000), wk = 0.0047393 k( 17) = ( 0.2758621 0.0000000 -0.0000000), wk = 0.0047393 k( 18) = ( 0.2931034 -0.0000000 0.0000000), wk = 0.0047393 k( 19) = ( 0.3103448 -0.0000000 -0.0000000), wk = 0.0047393 k( 20) = ( 0.3275862 0.0000000 -0.0000000), wk = 0.0047393 k( 21) = ( 0.3448276 -0.0000000 -0.0000000), wk = 0.0047393 k( 22) = ( 0.3620690 0.0000000 -0.0000000), wk = 0.0047393 k( 23) = ( 0.3793103 0.0000000 -0.0000000), wk = 0.0047393 k( 24) = ( 0.3965517 0.0000000 0.0000000), wk = 0.0047393 k( 25) = ( 0.4137931 0.0000000 0.0000000), wk = 0.0047393 k( 26) = ( 0.4310345 0.0000000 0.0000000), wk = 0.0047393 k( 27) = ( 0.4482759 0.0000000 -0.0000000), wk = 0.0047393 k( 28) = ( 0.4655172 0.0000000 -0.0000000), wk = 0.0047393 k( 29) = ( 0.4827586 0.0000000 0.0000000), wk = 0.0047393 k( 30) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0047393 k( 31) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0047393 k( 32) = ( 0.5000000 0.0099696 -0.0099696), wk = 0.0047393 k( 33) = ( 0.5000000 0.0199392 -0.0199392), wk = 0.0047393 k( 34) = ( 0.5000000 0.0299088 -0.0299088), wk = 0.0047393 k( 35) = ( 0.5000000 0.0398785 -0.0398784), wk = 0.0047393 k( 36) = ( 0.5000000 0.0498481 -0.0498481), wk = 0.0047393 k( 37) = ( 0.5000000 0.0598177 -0.0598177), wk = 0.0047393 k( 38) = ( 0.5000000 0.0697873 -0.0697873), wk = 0.0047393 k( 39) = ( 0.5000000 0.0797569 -0.0797569), wk = 0.0047393 k( 40) = ( 0.5000000 0.0897265 -0.0897265), wk = 0.0047393 k( 41) = ( 0.5000000 0.0996961 -0.0996961), wk = 0.0047393 k( 42) = ( 0.5000000 0.1096657 -0.1096657), wk = 0.0047393 k( 43) = ( 0.5000000 0.1196354 -0.1196353), wk = 0.0047393 k( 44) = ( 0.5000000 0.1296050 -0.1296050), wk = 0.0047393 k( 45) = ( 0.5000000 0.1395746 -0.1395746), wk = 0.0047393 k( 46) = ( 0.5000000 0.1495442 -0.1495442), wk = 0.0047393 k( 47) = ( 0.5000000 0.1595138 -0.1595138), wk = 0.0047393 k( 48) = ( 0.5000000 0.1694834 -0.1694834), wk = 0.0047393 k( 49) = ( 0.5000000 0.1794530 -0.1794530), wk = 0.0047393 k( 50) = ( 0.5000000 0.1894226 -0.1894226), wk = 0.0047393 k( 51) = ( 0.5000000 0.1993922 -0.1993922), wk = 0.0047393 k( 52) = ( 0.5000000 0.2093619 -0.2093619), wk = 0.0047393 k( 53) = ( 0.5000000 0.2193315 -0.2193315), wk = 0.0047393 k( 54) = ( 0.7806685 0.5000000 0.2193315), wk = 0.0047393 k( 55) = ( 0.7706447 0.5000000 0.2293554), wk = 0.0047393 k( 56) = ( 0.7606208 0.5000000 0.2393792), wk = 0.0047393 k( 57) = ( 0.7505969 0.5000000 0.2494031), wk = 0.0047393 k( 58) = ( 0.7405730 0.5000000 0.2594270), wk = 0.0047393 k( 59) = ( 0.7305491 0.5000000 0.2694508), wk = 0.0047393 k( 60) = ( 0.7205253 0.5000000 0.2794747), wk = 0.0047393 k( 61) = ( 0.7105014 0.5000000 0.2894986), wk = 0.0047393 k( 62) = ( 0.7004775 0.5000000 0.2995225), wk = 0.0047393 k( 63) = ( 0.6904537 0.5000000 0.3095463), wk = 0.0047393 k( 64) = ( 0.6804298 0.5000000 0.3195702), wk = 0.0047393 k( 65) = ( 0.6704059 0.5000000 0.3295941), wk = 0.0047393 k( 66) = ( 0.6603820 0.5000000 0.3396180), wk = 0.0047393 k( 67) = ( 0.6503581 0.5000000 0.3496419), wk = 0.0047393 k( 68) = ( 0.6403343 0.5000000 0.3596657), wk = 0.0047393 k( 69) = ( 0.6303104 0.5000000 0.3696896), wk = 0.0047393 k( 70) = ( 0.6202865 0.5000000 0.3797135), wk = 0.0047393 k( 71) = ( 0.6102626 0.5000000 0.3897374), wk = 0.0047393 k( 72) = ( 0.6002388 0.5000000 0.3997612), wk = 0.0047393 k( 73) = ( 0.5902149 0.5000000 0.4097851), wk = 0.0047393 k( 74) = ( 0.5801910 0.5000000 0.4198090), wk = 0.0047393 k( 75) = ( 0.5701671 0.5000000 0.4298329), wk = 0.0047393 k( 76) = ( 0.5601433 0.5000000 0.4398567), wk = 0.0047393 k( 77) = ( 0.5501194 0.5000000 0.4498806), wk = 0.0047393 k( 78) = ( 0.5400955 0.5000000 0.4599045), wk = 0.0047393 k( 79) = ( 0.5300716 0.5000000 0.4699284), wk = 0.0047393 k( 80) = ( 0.5200478 0.5000000 0.4799523), wk = 0.0047393 k( 81) = ( 0.5100239 0.5000000 0.4899761), wk = 0.0047393 k( 82) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047393 k( 83) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047393 k( 84) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0047393 k( 85) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0047393 k( 86) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0047393 k( 87) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0047393 k( 88) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0047393 k( 89) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0047393 k( 90) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0047393 k( 91) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0047393 k( 92) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0047393 k( 93) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0047393 k( 94) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0047393 k( 95) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0047393 k( 96) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0047393 k( 97) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0047393 k( 98) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0047393 k( 99) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0047393 k( 100) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0047393 k( 101) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0047393 k( 102) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0047393 k( 103) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0047393 k( 104) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0047393 k( 105) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0047393 k( 106) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0047393 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047393 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047393 k( 109) = ( 0.0102762 0.0000000 -0.0102762), wk = 0.0047393 k( 110) = ( 0.0205523 0.0000000 -0.0205523), wk = 0.0047393 k( 111) = ( 0.0308285 0.0000000 -0.0308285), wk = 0.0047393 k( 112) = ( 0.0411047 0.0000000 -0.0411047), wk = 0.0047393 k( 113) = ( 0.0513808 -0.0000000 -0.0513808), wk = 0.0047393 k( 114) = ( 0.0616570 0.0000000 -0.0616570), wk = 0.0047393 k( 115) = ( 0.0719332 0.0000000 -0.0719331), wk = 0.0047393 k( 116) = ( 0.0822093 -0.0000000 -0.0822093), wk = 0.0047393 k( 117) = ( 0.0924855 0.0000000 -0.0924855), wk = 0.0047393 k( 118) = ( 0.1027616 -0.0000000 -0.1027616), wk = 0.0047393 k( 119) = ( 0.1130378 0.0000000 -0.1130378), wk = 0.0047393 k( 120) = ( 0.1233140 0.0000000 -0.1233140), wk = 0.0047393 k( 121) = ( 0.1335901 0.0000000 -0.1335901), wk = 0.0047393 k( 122) = ( 0.1438663 -0.0000000 -0.1438663), wk = 0.0047393 k( 123) = ( 0.1541425 -0.0000000 -0.1541425), wk = 0.0047393 k( 124) = ( 0.1644186 -0.0000000 -0.1644186), wk = 0.0047393 k( 125) = ( 0.1746948 0.0000000 -0.1746948), wk = 0.0047393 k( 126) = ( 0.1849709 0.0000000 -0.1849709), wk = 0.0047393 k( 127) = ( 0.1952471 -0.0000000 -0.1952471), wk = 0.0047393 k( 128) = ( 0.2055233 -0.0000000 -0.2055233), wk = 0.0047393 k( 129) = ( 0.2157994 0.0000000 -0.2157994), wk = 0.0047393 k( 130) = ( 0.2260756 0.0000000 -0.2260756), wk = 0.0047393 k( 131) = ( 0.2363518 0.0000000 -0.2363518), wk = 0.0047393 k( 132) = ( 0.2466279 0.0000000 -0.2466279), wk = 0.0047393 k( 133) = ( 0.2569041 0.0000000 -0.2569041), wk = 0.0047393 k( 134) = ( 0.2671803 0.0000000 -0.2671803), wk = 0.0047393 k( 135) = ( 0.2774564 -0.0000000 -0.2774564), wk = 0.0047393 k( 136) = ( 0.2877326 -0.0000000 -0.2877326), wk = 0.0047393 k( 137) = ( 0.2980087 0.0000000 -0.2980087), wk = 0.0047393 k( 138) = ( 0.3082849 -0.0000000 -0.3082849), wk = 0.0047393 k( 139) = ( 0.3185611 0.0000000 -0.3185611), wk = 0.0047393 k( 140) = ( 0.3288372 -0.0000000 -0.3288372), wk = 0.0047393 k( 141) = ( 0.3391134 0.0000000 -0.3391134), wk = 0.0047393 k( 142) = ( 0.3493896 0.0000000 -0.3493896), wk = 0.0047393 k( 143) = ( 0.3596657 -0.0000000 -0.3596657), wk = 0.0047393 k( 144) = ( 0.6403343 0.3596657 0.0000000), wk = 0.0047393 k( 145) = ( 0.6303104 0.3696896 0.0000000), wk = 0.0047393 k( 146) = ( 0.6202865 0.3797135 0.0000000), wk = 0.0047393 k( 147) = ( 0.6102626 0.3897374 0.0000000), wk = 0.0047393 k( 148) = ( 0.6002388 0.3997612 0.0000000), wk = 0.0047393 k( 149) = ( 0.5902149 0.4097851 -0.0000000), wk = 0.0047393 k( 150) = ( 0.5801910 0.4198090 0.0000000), wk = 0.0047393 k( 151) = ( 0.5701671 0.4298329 0.0000000), wk = 0.0047393 k( 152) = ( 0.5601433 0.4398567 0.0000000), wk = 0.0047393 k( 153) = ( 0.5501194 0.4498806 -0.0000000), wk = 0.0047393 k( 154) = ( 0.5400955 0.4599045 0.0000000), wk = 0.0047393 k( 155) = ( 0.5300716 0.4699284 0.0000000), wk = 0.0047393 k( 156) = ( 0.5200478 0.4799523 0.0000000), wk = 0.0047393 k( 157) = ( 0.5100239 0.4899761 0.0000000), wk = 0.0047393 k( 158) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0047393 k( 159) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0047393 k( 160) = ( 0.5155927 0.5155927 0.0243702), wk = 0.0047393 k( 161) = ( 0.5311854 0.5311854 0.0487403), wk = 0.0047393 k( 162) = ( 0.5467781 0.5467781 0.0731105), wk = 0.0047393 k( 163) = ( 0.5623708 0.5623708 0.0974807), wk = 0.0047393 k( 164) = ( 0.5779635 0.5779635 0.1218508), wk = 0.0047393 k( 165) = ( 0.5935562 0.5935562 0.1462210), wk = 0.0047393 k( 166) = ( 0.6091489 0.6091489 0.1705911), wk = 0.0047393 k( 167) = ( 0.6247416 0.6247416 0.1949613), wk = 0.0047393 k( 168) = ( 0.6403343 0.6403343 0.2193315), wk = 0.0047393 k( 169) = ( 0.6403343 0.6403343 0.2193315), wk = 0.0047393 k( 170) = ( 0.6344870 0.6344870 0.2310260), wk = 0.0047393 k( 171) = ( 0.6286397 0.6286397 0.2427205), wk = 0.0047393 k( 172) = ( 0.6227925 0.6227925 0.2544150), wk = 0.0047393 k( 173) = ( 0.6169452 0.6169452 0.2661096), wk = 0.0047393 k( 174) = ( 0.6110980 0.6110980 0.2778041), wk = 0.0047393 k( 175) = ( 0.6052507 0.6052507 0.2894986), wk = 0.0047393 k( 176) = ( 0.5994034 0.5994034 0.3011931), wk = 0.0047393 k( 177) = ( 0.5935562 0.5935562 0.3128876), wk = 0.0047393 k( 178) = ( 0.5877089 0.5877089 0.3245822), wk = 0.0047393 k( 179) = ( 0.5818617 0.5818617 0.3362767), wk = 0.0047393 k( 180) = ( 0.5760144 0.5760144 0.3479712), wk = 0.0047393 k( 181) = ( 0.5701671 0.5701671 0.3596657), wk = 0.0047393 k( 182) = ( 0.5643199 0.5643199 0.3713603), wk = 0.0047393 k( 183) = ( 0.5584726 0.5584726 0.3830548), wk = 0.0047393 k( 184) = ( 0.5526254 0.5526254 0.3947493), wk = 0.0047393 k( 185) = ( 0.5467781 0.5467781 0.4064438), wk = 0.0047393 k( 186) = ( 0.5409308 0.5409308 0.4181384), wk = 0.0047393 k( 187) = ( 0.5350836 0.5350836 0.4298329), wk = 0.0047393 k( 188) = ( 0.5292363 0.5292363 0.4415274), wk = 0.0047393 k( 189) = ( 0.5233890 0.5233890 0.4532219), wk = 0.0047393 k( 190) = ( 0.5175418 0.5175418 0.4649164), wk = 0.0047393 k( 191) = ( 0.5116945 0.5116945 0.4766110), wk = 0.0047393 k( 192) = ( 0.5058473 0.5058473 0.4883055), wk = 0.0047393 k( 193) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047393 k( 194) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0047393 k( 195) = ( 0.5165099 0.0211568 0.0211568), wk = 0.0047393 k( 196) = ( 0.5330198 0.0423136 0.0423136), wk = 0.0047393 k( 197) = ( 0.5495297 0.0634704 0.0634704), wk = 0.0047393 k( 198) = ( 0.5660397 0.0846272 0.0846272), wk = 0.0047393 k( 199) = ( 0.5825496 0.1057840 0.1057840), wk = 0.0047393 k( 200) = ( 0.5990595 0.1269409 0.1269408), wk = 0.0047393 k( 201) = ( 0.6155694 0.1480977 0.1480977), wk = 0.0047393 k( 202) = ( 0.6320793 0.1692545 0.1692545), wk = 0.0047393 k( 203) = ( 0.6485892 0.1904113 0.1904113), wk = 0.0047393 k( 204) = ( 0.6650991 0.2115681 0.2115681), wk = 0.0047393 k( 205) = ( 0.6816091 0.2327249 0.2327249), wk = 0.0047393 k( 206) = ( 0.6981190 0.2538817 0.2538817), wk = 0.0047393 k( 207) = ( 0.7146289 0.2750385 0.2750385), wk = 0.0047393 k( 208) = ( 0.7311388 0.2961953 0.2961953), wk = 0.0047393 k( 209) = ( 0.7476487 0.3173521 0.3173521), wk = 0.0047393 k( 210) = ( 0.7641586 0.3385089 0.3385089), wk = 0.0047393 k( 211) = ( 0.7806685 0.3596657 0.3596657), wk = 0.0047393 Dense grid: 452219 G-vectors FFT dimensions: ( 120, 120, 120) Smooth grid: 52501 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 186, 84) NL pseudopotentials 0.31 Mb ( 93, 220) Each V/rho on FFT grid 0.44 Mb ( 28800) Each G-vector array 0.05 Mb ( 6281) G-vector shells 0.04 Mb ( 5618) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.95 Mb ( 186, 336) Each subspace H/S matrix 0.05 Mb ( 56, 56) Each matrix 0.56 Mb ( 220, 2, 84) The potential is recalculated from file : ./CdPSe3.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 5.2 secs Computing kpt #: 2 total cpu time spent up to now is 6.7 secs Computing kpt #: 3 total cpu time spent up to now is 8.3 secs Computing kpt #: 4 total cpu time spent up to now is 9.7 secs Computing kpt #: 5 total cpu time spent up to now is 11.1 secs Computing kpt #: 6 total cpu time spent up to now is 12.6 secs Computing kpt #: 7 total cpu time spent up to now is 13.9 secs Computing kpt #: 8 total cpu time spent up to now is 15.3 secs Computing kpt #: 9 total cpu time spent up to now is 16.7 secs Computing kpt #: 10 total cpu time spent up to now is 18.0 secs Computing kpt #: 11 total cpu time spent up to now is 19.4 secs Computing kpt #: 12 total cpu time spent up to now is 20.8 secs Computing kpt #: 13 total cpu time spent up to now is 22.1 secs Computing kpt #: 14 total cpu time spent up to now is 23.5 secs Computing kpt #: 15 total cpu time spent up to now is 24.8 secs Computing kpt #: 16 total cpu time spent up to now is 26.1 secs Computing kpt #: 17 total cpu time spent up to now is 27.5 secs Computing kpt #: 18 total cpu time spent up to now is 28.8 secs Computing kpt #: 19 total cpu time spent up to now is 30.1 secs Computing kpt #: 20 total cpu time spent up to now is 31.5 secs Computing kpt #: 21 total cpu time spent up to now is 32.8 secs Computing kpt #: 22 total cpu time spent up to now is 34.1 secs Computing kpt #: 23 total cpu time spent up to now is 35.5 secs Computing kpt #: 24 total cpu time spent up to now is 36.8 secs Computing kpt #: 25 total cpu time spent up to now is 38.2 secs Computing kpt #: 26 total cpu time spent up to now is 39.6 secs Computing kpt #: 27 total cpu time spent up to now is 40.9 secs Computing kpt #: 28 total cpu time spent up to now is 42.5 secs Computing kpt #: 29 total cpu time spent up to now is 44.0 secs Computing kpt #: 30 total cpu time spent up to now is 45.6 secs Computing kpt #: 31 total cpu time spent up to now is 47.1 secs Computing kpt #: 32 total cpu time spent up to now is 48.6 secs Computing kpt #: 33 total cpu time spent up to now is 50.2 secs Computing kpt #: 34 total cpu time spent up to now is 51.7 secs Computing kpt #: 35 total cpu time spent up to now is 53.1 secs Computing kpt #: 36 total cpu time spent up to now is 54.5 secs Computing kpt #: 37 total cpu time spent up to now is 55.9 secs Computing kpt #: 38 total cpu time spent up to now is 57.2 secs Computing kpt #: 39 total cpu time spent up to now is 58.5 secs Computing kpt #: 40 total cpu time spent up to now is 59.9 secs Computing kpt #: 41 total cpu time spent up to now is 61.2 secs Computing kpt #: 42 total cpu time spent up to now is 62.5 secs Computing kpt #: 43 total cpu time spent up to now is 63.7 secs Computing kpt #: 44 total cpu time spent up to now is 65.0 secs Computing kpt #: 45 total cpu time spent up to now is 66.3 secs Computing kpt #: 46 total cpu time spent up to now is 67.5 secs Computing kpt #: 47 total cpu time spent up to now is 68.8 secs Computing kpt #: 48 total cpu time spent up to now is 70.1 secs Computing kpt #: 49 total cpu time spent up to now is 71.3 secs Computing kpt #: 50 total cpu time spent up to now is 72.6 secs Computing kpt #: 51 total cpu time spent up to now is 73.9 secs Computing kpt #: 52 total cpu time spent up to now is 75.2 secs Computing kpt #: 53 total cpu time spent up to now is 76.6 secs Computing kpt #: 54 total cpu time spent up to now is 77.9 secs Computing kpt #: 55 total cpu time spent up to now is 79.2 secs Computing kpt #: 56 total cpu time spent up to now is 80.5 secs Computing kpt #: 57 total cpu time spent up to now is 81.9 secs Computing kpt #: 58 total cpu time spent up to now is 83.2 secs Computing kpt #: 59 total cpu time spent up to now is 84.5 secs Computing kpt #: 60 total cpu time spent up to now is 85.9 secs Computing kpt #: 61 total cpu time spent up to now is 87.2 secs Computing kpt #: 62 total cpu time spent up to now is 88.5 secs Computing kpt #: 63 total cpu time spent up to now is 89.8 secs Computing kpt #: 64 total cpu time spent up to now is 91.2 secs Computing kpt #: 65 total cpu time spent up to now is 92.5 secs Computing kpt #: 66 total cpu time spent up to now is 94.0 secs Computing kpt #: 67 total cpu time spent up to now is 95.5 secs Computing kpt #: 68 total cpu time spent up to now is 97.1 secs Computing kpt #: 69 total cpu time spent up to now is 98.6 secs Computing kpt #: 70 total cpu time spent up to now is 100.2 secs Computing kpt #: 71 total cpu time spent up to now is 101.7 secs Computing kpt #: 72 total cpu time spent up to now is 103.3 secs Computing kpt #: 73 total cpu time spent up to now is 104.8 secs Computing kpt #: 74 total cpu time spent up to now is 106.2 secs Computing kpt #: 75 total cpu time spent up to now is 107.5 secs Computing kpt #: 76 total cpu time spent up to now is 108.9 secs Computing kpt #: 77 total cpu time spent up to now is 110.3 secs Computing kpt #: 78 total cpu time spent up to now is 111.9 secs Computing kpt #: 79 total cpu time spent up to now is 113.3 secs Computing kpt #: 80 total cpu time spent up to now is 114.7 secs Computing kpt #: 81 total cpu time spent up to now is 116.1 secs Computing kpt #: 82 total cpu time spent up to now is 117.7 secs Computing kpt #: 83 total cpu time spent up to now is 119.3 secs Computing kpt #: 84 total cpu time spent up to now is 120.8 secs Computing kpt #: 85 total cpu time spent up to now is 122.2 secs Computing kpt #: 86 total cpu time spent up to now is 123.6 secs Computing kpt #: 87 total cpu time spent up to now is 125.0 secs Computing kpt #: 88 total cpu time spent up to now is 126.4 secs Computing kpt #: 89 total cpu time spent up to now is 127.9 secs Computing kpt #: 90 total cpu time spent up to now is 129.4 secs Computing kpt #: 91 total cpu time spent up to now is 131.0 secs Computing kpt #: 92 total cpu time spent up to now is 132.7 secs Computing kpt #: 93 total cpu time spent up to now is 134.3 secs Computing kpt #: 94 total cpu time spent up to now is 135.7 secs Computing kpt #: 95 total cpu time spent up to now is 137.3 secs Computing kpt #: 96 total cpu time spent up to now is 138.8 secs Computing kpt #: 97 total cpu time spent up to now is 140.3 secs Computing kpt #: 98 total cpu time spent up to now is 142.1 secs Computing kpt #: 99 total cpu time spent up to now is 143.4 secs Computing kpt #: 100 total cpu time spent up to now is 144.9 secs Computing kpt #: 101 total cpu time spent up to now is 146.5 secs Computing kpt #: 102 total cpu time spent up to now is 148.1 secs Computing kpt #: 103 total cpu time spent up to now is 149.6 secs Computing kpt #: 104 total cpu time spent up to now is 151.2 secs Computing kpt #: 105 total cpu time spent up to now is 152.7 secs Computing kpt #: 106 total cpu time spent up to now is 154.3 secs Computing kpt #: 107 total cpu time spent up to now is 155.8 secs Computing kpt #: 108 total cpu time spent up to now is 157.3 secs Computing kpt #: 109 total cpu time spent up to now is 158.8 secs Computing kpt #: 110 total cpu time spent up to now is 160.4 secs Computing kpt #: 111 total cpu time spent up to now is 161.8 secs Computing kpt #: 112 total cpu time spent up to now is 163.2 secs Computing kpt #: 113 total cpu time spent up to now is 164.6 secs Computing kpt #: 114 total cpu time spent up to now is 165.9 secs Computing kpt #: 115 total cpu time spent up to now is 167.3 secs Computing kpt #: 116 total cpu time spent up to now is 168.6 secs Computing kpt #: 117 total cpu time spent up to now is 170.0 secs Computing kpt #: 118 total cpu time spent up to now is 171.3 secs Computing kpt #: 119 total cpu time spent up to now is 172.6 secs Computing kpt #: 120 total cpu time spent up to now is 173.9 secs Computing kpt #: 121 total cpu time spent up to now is 175.3 secs Computing kpt #: 122 total cpu time spent up to now is 176.6 secs Computing kpt #: 123 total cpu time spent up to now is 177.9 secs Computing kpt #: 124 total cpu time spent up to now is 179.2 secs Computing kpt #: 125 total cpu time spent up to now is 180.5 secs Computing kpt #: 126 total cpu time spent up to now is 181.8 secs Computing kpt #: 127 total cpu time spent up to now is 183.1 secs Computing kpt #: 128 total cpu time spent up to now is 184.4 secs Computing kpt #: 129 total cpu time spent up to now is 185.7 secs Computing kpt #: 130 total cpu time spent up to now is 187.0 secs Computing kpt #: 131 total cpu time spent up to now is 188.3 secs Computing kpt #: 132 total cpu time spent up to now is 189.6 secs Computing kpt #: 133 total cpu time spent up to now is 190.9 secs Computing kpt #: 134 total cpu time spent up to now is 192.2 secs Computing kpt #: 135 total cpu time spent up to now is 193.5 secs Computing kpt #: 136 total cpu time spent up to now is 194.8 secs Computing kpt #: 137 total cpu time spent up to now is 196.1 secs Computing kpt #: 138 total cpu time spent up to now is 197.4 secs Computing kpt #: 139 total cpu time spent up to now is 198.6 secs Computing kpt #: 140 total cpu time spent up to now is 199.9 secs Computing kpt #: 141 total cpu time spent up to now is 201.1 secs Computing kpt #: 142 total cpu time spent up to now is 202.4 secs Computing kpt #: 143 total cpu time spent up to now is 203.7 secs Computing kpt #: 144 total cpu time spent up to now is 204.9 secs Computing kpt #: 145 total cpu time spent up to now is 206.2 secs Computing kpt #: 146 total cpu time spent up to now is 207.5 secs Computing kpt #: 147 total cpu time spent up to now is 208.8 secs Computing kpt #: 148 total cpu time spent up to now is 210.2 secs Computing kpt #: 149 total cpu time spent up to now is 211.5 secs Computing kpt #: 150 total cpu time spent up to now is 212.8 secs Computing kpt #: 151 total cpu time spent up to now is 214.2 secs Computing kpt #: 152 total cpu time spent up to now is 215.6 secs Computing kpt #: 153 total cpu time spent up to now is 217.1 secs Computing kpt #: 154 total cpu time spent up to now is 218.7 secs Computing kpt #: 155 total cpu time spent up to now is 220.1 secs Computing kpt #: 156 total cpu time spent up to now is 221.5 secs Computing kpt #: 157 total cpu time spent up to now is 222.8 secs Computing kpt #: 158 total cpu time spent up to now is 224.2 secs Computing kpt #: 159 total cpu time spent up to now is 226.0 secs Computing kpt #: 160 total cpu time spent up to now is 227.6 secs Computing kpt #: 161 total cpu time spent up to now is 229.0 secs Computing kpt #: 162 total cpu time spent up to now is 230.6 secs Computing kpt #: 163 total cpu time spent up to now is 231.9 secs Computing kpt #: 164 total cpu time spent up to now is 233.3 secs Computing kpt #: 165 total cpu time spent up to now is 234.7 secs Computing kpt #: 166 total cpu time spent up to now is 236.1 secs Computing kpt #: 167 total cpu time spent up to now is 237.7 secs Computing kpt #: 168 total cpu time spent up to now is 239.2 secs Computing kpt #: 169 total cpu time spent up to now is 240.8 secs Computing kpt #: 170 total cpu time spent up to now is 242.4 secs Computing kpt #: 171 total cpu time spent up to now is 244.0 secs Computing kpt #: 172 total cpu time spent up to now is 245.5 secs Computing kpt #: 173 total cpu time spent up to now is 246.9 secs Computing kpt #: 174 total cpu time spent up to now is 248.3 secs Computing kpt #: 175 total cpu time spent up to now is 249.7 secs Computing kpt #: 176 total cpu time spent up to now is 251.8 secs Computing kpt #: 177 total cpu time spent up to now is 253.3 secs Computing kpt #: 178 total cpu time spent up to now is 254.8 secs Computing kpt #: 179 total cpu time spent up to now is 256.3 secs Computing kpt #: 180 total cpu time spent up to now is 257.9 secs Computing kpt #: 181 total cpu time spent up to now is 259.5 secs Computing kpt #: 182 total cpu time spent up to now is 261.1 secs Computing kpt #: 183 total cpu time spent up to now is 262.5 secs Computing kpt #: 184 total cpu time spent up to now is 263.9 secs Computing kpt #: 185 total cpu time spent up to now is 265.2 secs Computing kpt #: 186 total cpu time spent up to now is 266.6 secs Computing kpt #: 187 total cpu time spent up to now is 268.0 secs Computing kpt #: 188 total cpu time spent up to now is 269.4 secs Computing kpt #: 189 total cpu time spent up to now is 270.8 secs Computing kpt #: 190 total cpu time spent up to now is 272.2 secs Computing kpt #: 191 total cpu time spent up to now is 273.6 secs Computing kpt #: 192 total cpu time spent up to now is 275.0 secs Computing kpt #: 193 total cpu time spent up to now is 276.4 secs Computing kpt #: 194 total cpu time spent up to now is 277.9 secs Computing kpt #: 195 total cpu time spent up to now is 279.5 secs Computing kpt #: 196 total cpu time spent up to now is 281.0 secs Computing kpt #: 197 total cpu time spent up to now is 282.6 secs Computing kpt #: 198 total cpu time spent up to now is 284.2 secs Computing kpt #: 199 total cpu time spent up to now is 285.7 secs Computing kpt #: 200 total cpu time spent up to now is 287.1 secs Computing kpt #: 201 total cpu time spent up to now is 288.7 secs Computing kpt #: 202 total cpu time spent up to now is 290.3 secs Computing kpt #: 203 total cpu time spent up to now is 291.8 secs Computing kpt #: 204 total cpu time spent up to now is 293.3 secs Computing kpt #: 205 total cpu time spent up to now is 294.7 secs Computing kpt #: 206 total cpu time spent up to now is 296.2 secs Computing kpt #: 207 total cpu time spent up to now is 297.8 secs Computing kpt #: 208 total cpu time spent up to now is 299.4 secs Computing kpt #: 209 total cpu time spent up to now is 300.9 secs Computing kpt #: 210 total cpu time spent up to now is 302.5 secs Computing kpt #: 211 total cpu time spent up to now is 303.9 secs ethr = 1.43E-08, avg # of iterations = 19.8 total cpu time spent up to now is 303.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6505 PWs) bands (ev): -9.4291 -9.4291 -7.9950 -7.9950 -6.7746 -6.7746 -6.7714 -6.7714 -6.5895 -6.5895 -6.5838 -6.5838 -5.2015 -5.2015 -2.6010 -2.6010 -2.4230 -2.4230 -2.4201 -2.4201 -2.3804 -2.3804 -2.3303 -2.3303 -1.8073 -1.8073 -1.7947 -1.7947 -1.7134 -1.7134 -1.7116 -1.7116 -1.6975 -1.6975 -1.5814 -1.5814 -0.2533 -0.2533 0.7247 0.7247 0.7423 0.7423 1.2216 1.2216 1.3128 1.3128 1.8678 1.8678 2.6576 2.6576 3.1225 3.1225 3.7400 3.7400 3.8075 3.8075 4.5482 4.5482 4.7962 4.7962 4.8006 4.8006 5.1202 5.1202 5.1909 5.1909 5.5417 5.5417 5.7301 5.7301 6.9887 6.9887 7.5336 7.5336 8.1408 8.1408 8.1583 8.1583 9.2415 9.2415 9.8488 9.8488 9.8787 9.8787 k = 0.0172-0.0144-0.0095 ( 6500 PWs) bands (ev): -9.4287 -9.4287 -7.9948 -7.9948 -6.7755 -6.7755 -6.7721 -6.7721 -6.5900 -6.5900 -6.5843 -6.5843 -5.1998 -5.1998 -2.6044 -2.6044 -2.4248 -2.4248 -2.4163 -2.4163 -2.3795 -2.3795 -2.3299 -2.3299 -1.8086 -1.8086 -1.7928 -1.7928 -1.7140 -1.7140 -1.7107 -1.7107 -1.6971 -1.6971 -1.5815 -1.5815 -0.2522 -0.2522 0.7243 0.7243 0.7421 0.7421 1.2201 1.2201 1.3114 1.3114 1.8757 1.8757 2.6576 2.6576 3.1245 3.1245 3.7377 3.7377 3.8051 3.8051 4.5472 4.5472 4.7937 4.7937 4.7996 4.7996 5.1182 5.1182 5.1844 5.1844 5.5414 5.5414 5.7272 5.7272 6.9993 6.9993 7.5380 7.5380 8.1409 8.1409 8.1580 8.1580 9.2418 9.2418 9.8445 9.8445 9.8735 9.8735 k = 0.0345-0.0287-0.0190 ( 6507 PWs) bands (ev): -9.4273 -9.4273 -7.9942 -7.9942 -6.7796 -6.7796 -6.7728 -6.7728 -6.5915 -6.5915 -6.5857 -6.5857 -5.1948 -5.1948 -2.6138 -2.6138 -2.4266 -2.4266 -2.4096 -2.4096 -2.3764 -2.3764 -2.3287 -2.3287 -1.8114 -1.8114 -1.7886 -1.7886 -1.7149 -1.7149 -1.7091 -1.7091 -1.6960 -1.6960 -1.5818 -1.5818 -0.2488 -0.2488 0.7227 0.7227 0.7420 0.7420 1.2145 1.2145 1.3093 1.3093 1.8985 1.8985 2.6573 2.6573 3.1304 3.1304 3.7306 3.7306 3.7985 3.7985 4.5435 4.5435 4.7838 4.7838 4.7990 4.7990 5.1120 5.1120 5.1674 5.1674 5.5397 5.5397 5.7189 5.7189 7.0303 7.0303 7.5506 7.5506 8.1409 8.1409 8.1576 8.1576 9.2426 9.2426 9.8283 9.8283 9.8715 9.8715 k = 0.0517-0.0431-0.0285 ( 6509 PWs) bands (ev): -9.4250 -9.4250 -7.9931 -7.9931 -6.7871 -6.7871 -6.7733 -6.7733 -6.5940 -6.5940 -6.5881 -6.5881 -5.1867 -5.1867 -2.6278 -2.6278 -2.4281 -2.4281 -2.4025 -2.4025 -2.3708 -2.3708 -2.3263 -2.3263 -1.8145 -1.8145 -1.7832 -1.7832 -1.7155 -1.7155 -1.7073 -1.7073 -1.6941 -1.6941 -1.5822 -1.5822 -0.2432 -0.2432 0.7188 0.7188 0.7429 0.7429 1.2024 1.2024 1.3109 1.3109 1.9339 1.9339 2.6566 2.6566 3.1403 3.1403 3.7182 3.7182 3.7889 3.7889 4.5353 4.5353 4.7658 4.7658 4.7983 4.7983 5.1010 5.1010 5.1462 5.1462 5.5348 5.5348 5.7068 5.7068 7.0794 7.0794 7.5706 7.5706 8.1400 8.1400 8.1582 8.1582 9.2439 9.2439 9.8036 9.8036 9.8725 9.8725 k = 0.0690-0.0574-0.0380 ( 6514 PWs) bands (ev): -9.4219 -9.4219 -7.9916 -7.9916 -6.7975 -6.7975 -6.7738 -6.7738 -6.5977 -6.5977 -6.5913 -6.5913 -5.1755 -5.1755 -2.6450 -2.6450 -2.4296 -2.4296 -2.3969 -2.3969 -2.3628 -2.3628 -2.3218 -2.3218 -1.8175 -1.8175 -1.7773 -1.7773 -1.7157 -1.7157 -1.7051 -1.7051 -1.6915 -1.6915 -1.5828 -1.5828 -0.2354 -0.2354 0.7123 0.7123 0.7454 0.7454 1.1834 1.1834 1.3191 1.3191 1.9794 1.9794 2.6553 2.6553 3.1539 3.1539 3.6998 3.6998 3.7778 3.7778 4.5188 4.5188 4.7410 4.7410 4.7966 4.7966 5.0860 5.0860 5.1267 5.1267 5.5249 5.5249 5.6928 5.6928 7.1434 7.1434 7.5961 7.5961 8.1376 8.1376 8.1607 8.1607 9.2455 9.2455 9.7751 9.7751 9.8666 9.8666 k = 0.0862-0.0718-0.0475 ( 6524 PWs) bands (ev): -9.4179 -9.4179 -7.9897 -7.9897 -6.8105 -6.8105 -6.7743 -6.7743 -6.6025 -6.6025 -6.5952 -6.5952 -5.1615 -5.1615 -2.6640 -2.6640 -2.4311 -2.4311 -2.3930 -2.3930 -2.3547 -2.3547 -2.3143 -2.3143 -1.8202 -1.8202 -1.7714 -1.7714 -1.7155 -1.7155 -1.7025 -1.7025 -1.6882 -1.6882 -1.5833 -1.5833 -0.2254 -0.2254 0.7035 0.7035 0.7492 0.7492 1.1597 1.1597 1.3338 1.3338 2.0323 2.0323 2.6529 2.6529 3.1714 3.1714 3.6755 3.6755 3.7665 3.7665 4.4888 4.4888 4.7131 4.7131 4.7931 4.7931 5.0708 5.0708 5.1101 5.1101 5.5099 5.5099 5.6787 5.6787 7.2187 7.2187 7.6254 7.6254 8.1340 8.1340 8.1654 8.1654 9.2471 9.2471 9.7444 9.7444 9.8514 9.8514 k = 0.1034-0.0861-0.0570 ( 6533 PWs) bands (ev): -9.4130 -9.4130 -7.9874 -7.9874 -6.8259 -6.8259 -6.7748 -6.7748 -6.6084 -6.6084 -6.5998 -6.5998 -5.1448 -5.1448 -2.6842 -2.6842 -2.4326 -2.4326 -2.3905 -2.3905 -2.3482 -2.3482 -2.3030 -2.3030 -1.8226 -1.8226 -1.7658 -1.7658 -1.7148 -1.7148 -1.6992 -1.6992 -1.6841 -1.6841 -1.5837 -1.5837 -0.2132 -0.2132 0.6928 0.6928 0.7539 0.7539 1.1340 1.1340 1.3541 1.3541 2.0905 2.0905 2.6491 2.6491 3.1923 3.1923 3.6460 3.6460 3.7556 3.7556 4.4407 4.4407 4.6871 4.6871 4.7872 4.7872 5.0581 5.0581 5.0959 5.0959 5.4908 5.4908 5.6652 5.6652 7.3015 7.3015 7.6567 7.6567 8.1303 8.1303 8.1721 8.1721 9.2483 9.2483 9.7121 9.7121 9.8292 9.8292 k = 0.1207-0.1005-0.0665 ( 6541 PWs) bands (ev): -9.4074 -9.4074 -7.9848 -7.9848 -6.8434 -6.8434 -6.7755 -6.7755 -6.6153 -6.6153 -6.6051 -6.6051 -5.1259 -5.1259 -2.7049 -2.7049 -2.4340 -2.4340 -2.3887 -2.3887 -2.3436 -2.3436 -2.2890 -2.2890 -1.8247 -1.8247 -1.7610 -1.7610 -1.7137 -1.7137 -1.6950 -1.6950 -1.6793 -1.6793 -1.5837 -1.5837 -0.1991 -0.1991 0.6809 0.6809 0.7589 0.7589 1.1086 1.1086 1.3791 1.3791 2.1524 2.1524 2.6434 2.6434 3.2166 3.2166 3.6123 3.6123 3.7456 3.7456 4.3746 4.3746 4.6645 4.6645 4.7788 4.7788 5.0458 5.0458 5.0866 5.0866 5.4697 5.4697 5.6527 5.6527 7.3880 7.3880 7.6882 7.6882 8.1277 8.1277 8.1804 8.1804 9.2487 9.2487 9.6785 9.6785 9.8012 9.8012 k = 0.1379-0.1148-0.0761 ( 6537 PWs) bands (ev): -9.4011 -9.4011 -7.9819 -7.9819 -6.8627 -6.8627 -6.7762 -6.7762 -6.6232 -6.6232 -6.6110 -6.6110 -5.1049 -5.1049 -2.7257 -2.7257 -2.4354 -2.4354 -2.3876 -2.3876 -2.3402 -2.3402 -2.2736 -2.2736 -1.8265 -1.8265 -1.7573 -1.7573 -1.7124 -1.7124 -1.6901 -1.6901 -1.6734 -1.6734 -1.5830 -1.5830 -0.1829 -0.1829 0.6681 0.6681 0.7639 0.7639 1.0850 1.0850 1.4079 1.4079 2.2163 2.2163 2.6356 2.6356 3.2437 3.2437 3.5757 3.5757 3.7367 3.7367 4.2948 4.2948 4.6424 4.6424 4.7687 4.7687 5.0300 5.0300 5.0852 5.0852 5.4484 5.4484 5.6408 5.6408 7.4741 7.4741 7.7189 7.7189 8.1276 8.1276 8.1903 8.1903 9.2478 9.2478 9.6428 9.6428 9.7679 9.7679 k = 0.1552-0.1292-0.0856 ( 6542 PWs) bands (ev): -9.3940 -9.3940 -7.9786 -7.9786 -6.8834 -6.8834 -6.7770 -6.7770 -6.6318 -6.6318 -6.6175 -6.6175 -5.0823 -5.0823 -2.7464 -2.7464 -2.4366 -2.4366 -2.3871 -2.3871 -2.3372 -2.3372 -2.2580 -2.2580 -1.8279 -1.8279 -1.7549 -1.7549 -1.7108 -1.7108 -1.6850 -1.6850 -1.6664 -1.6664 -1.5811 -1.5811 -0.1649 -0.1649 0.6547 0.6547 0.7683 0.7683 1.0645 1.0645 1.4402 1.4402 2.2809 2.2809 2.6252 2.6252 3.2730 3.2730 3.5371 3.5371 3.7297 3.7297 4.2067 4.2067 4.6165 4.6165 4.7586 4.7586 5.0105 5.0105 5.0915 5.0915 5.4282 5.4282 5.6294 5.6294 7.5555 7.5555 7.7481 7.7481 8.1316 8.1316 8.2017 8.2017 9.2455 9.2455 9.6043 9.6043 9.7306 9.7306 k = 0.1724-0.1435-0.0951 ( 6538 PWs) bands (ev): -9.3863 -9.3863 -7.9751 -7.9751 -6.9053 -6.9053 -6.7778 -6.7778 -6.6410 -6.6410 -6.6245 -6.6245 -5.0583 -5.0583 -2.7667 -2.7667 -2.4377 -2.4377 -2.3870 -2.3870 -2.3345 -2.3345 -2.2428 -2.2428 -1.8290 -1.8290 -1.7536 -1.7536 -1.7092 -1.7092 -1.6801 -1.6801 -1.6588 -1.6588 -1.5773 -1.5773 -0.1452 -0.1452 0.6412 0.6412 0.7716 0.7716 1.0481 1.0481 1.4754 1.4754 2.3444 2.3444 2.6120 2.6120 3.3039 3.3039 3.4976 3.4976 3.7249 3.7249 4.1148 4.1148 4.5835 4.5835 4.7503 4.7503 4.9889 4.9889 5.1033 5.1033 5.4099 5.4099 5.6182 5.6182 7.6273 7.6273 7.7762 7.7762 8.1412 8.1412 8.2146 8.2146 9.2417 9.2417 9.5613 9.5613 9.6909 9.6909 k = 0.1897-0.1579-0.1046 ( 6544 PWs) bands (ev): -9.3781 -9.3781 -7.9713 -7.9713 -6.9282 -6.9282 -6.7787 -6.7787 -6.6508 -6.6508 -6.6320 -6.6320 -5.0332 -5.0332 -2.7865 -2.7865 -2.4387 -2.4387 -2.3874 -2.3874 -2.3318 -2.3318 -2.2283 -2.2283 -1.8296 -1.8296 -1.7532 -1.7532 -1.7076 -1.7076 -1.6757 -1.6757 -1.6514 -1.6514 -1.5708 -1.5708 -0.1239 -0.1239 0.6278 0.6278 0.7736 0.7736 1.0363 1.0363 1.5130 1.5130 2.4048 2.4048 2.5966 2.5966 3.3345 3.3345 3.4591 3.4591 3.7230 3.7230 4.0229 4.0229 4.5428 4.5428 4.7443 4.7443 4.9660 4.9660 5.1191 5.1191 5.3934 5.3934 5.6073 5.6073 7.6845 7.6845 7.8039 7.8039 8.1567 8.1567 8.2304 8.2304 9.2367 9.2367 9.5125 9.5125 9.6507 9.6507 k = 0.2069-0.1723-0.1141 ( 6552 PWs) bands (ev): -9.3694 -9.3694 -7.9674 -7.9674 -6.9516 -6.9516 -6.7795 -6.7795 -6.6610 -6.6610 -6.6400 -6.6400 -5.0075 -5.0075 -2.8057 -2.8057 -2.4396 -2.4396 -2.3882 -2.3882 -2.3290 -2.3290 -2.2148 -2.2148 -1.8298 -1.8298 -1.7534 -1.7534 -1.7059 -1.7059 -1.6716 -1.6716 -1.6453 -1.6453 -1.5610 -1.5610 -0.1012 -0.1012 0.6149 0.6149 0.7741 0.7741 1.0295 1.0295 1.5526 1.5526 2.4577 2.4577 2.5813 2.5813 3.3586 3.3586 3.4276 3.4276 3.7242 3.7242 3.9342 3.9342 4.4953 4.4953 4.7401 4.7401 4.9423 4.9423 5.1378 5.1378 5.3786 5.3786 5.5965 5.5965 7.7250 7.7250 7.8310 7.8310 8.1754 8.1754 8.2520 8.2520 9.2308 9.2308 9.4569 9.4569 9.6121 9.6121 k = 0.2241-0.1866-0.1236 ( 6558 PWs) bands (ev): -9.3604 -9.3604 -7.9634 -7.9634 -6.9754 -6.9754 -6.7805 -6.7805 -6.6715 -6.6715 -6.6482 -6.6482 -4.9813 -4.9813 -2.8241 -2.8241 -2.4403 -2.4403 -2.3893 -2.3893 -2.3263 -2.3263 -2.2024 -2.2024 -1.8297 -1.8297 -1.7541 -1.7541 -1.7043 -1.7043 -1.6680 -1.6680 -1.6410 -1.6410 -1.5478 -1.5478 -0.0773 -0.0773 0.6028 0.6028 0.7733 0.7733 1.0276 1.0276 1.5936 1.5936 2.4894 2.4894 2.5782 2.5782 3.3522 3.3522 3.4270 3.4270 3.7273 3.7273 3.8533 3.8533 4.4430 4.4430 4.7368 4.7368 4.9181 4.9181 5.1587 5.1587 5.3655 5.3655 5.5858 5.5858 7.7512 7.7512 7.8551 7.8551 8.1909 8.1909 8.2835 8.2835 9.2244 9.2244 9.3948 9.3948 9.5767 9.5767 k = 0.2414-0.2010-0.1331 ( 6558 PWs) bands (ev): -9.3510 -9.3510 -7.9592 -7.9592 -6.9993 -6.9993 -6.7814 -6.7814 -6.6820 -6.6820 -6.6567 -6.6567 -4.9550 -4.9550 -2.8417 -2.8417 -2.4409 -2.4409 -2.3906 -2.3906 -2.3235 -2.3235 -2.1911 -2.1911 -1.8291 -1.8291 -1.7552 -1.7552 -1.7027 -1.7027 -1.6648 -1.6648 -1.6383 -1.6383 -1.5319 -1.5319 -0.0526 -0.0526 0.5917 0.5917 0.7718 0.7718 1.0301 1.0301 1.6355 1.6355 2.4818 2.4818 2.6037 2.6037 3.3199 3.3199 3.4518 3.4518 3.7225 3.7225 3.7932 3.7932 4.3880 4.3880 4.7331 4.7331 4.8941 4.8941 5.1810 5.1810 5.3540 5.3540 5.5750 5.5750 7.7677 7.7677 7.8743 7.8743 8.1996 8.1996 8.3239 8.3239 9.2168 9.2168 9.3280 9.3280 9.5467 9.5467 k = 0.2586-0.2153-0.1426 ( 6559 PWs) bands (ev): -9.3415 -9.3415 -7.9551 -7.9551 -7.0230 -7.0230 -6.7823 -6.7823 -6.6925 -6.6925 -6.6654 -6.6654 -4.9289 -4.9289 -2.8585 -2.8585 -2.4414 -2.4414 -2.3921 -2.3921 -2.3208 -2.3208 -2.1809 -2.1809 -1.8281 -1.8281 -1.7566 -1.7566 -1.7011 -1.7011 -1.6619 -1.6619 -1.6369 -1.6369 -1.5140 -1.5140 -0.0273 -0.0273 0.5817 0.5817 0.7704 0.7704 1.0364 1.0364 1.6776 1.6776 2.4506 2.4506 2.6405 2.6405 3.2834 3.2834 3.4786 3.4786 3.6849 3.6849 3.7822 3.7822 4.3321 4.3321 4.7277 4.7277 4.8715 4.8715 5.2034 5.2034 5.3447 5.3447 5.5640 5.5640 7.7782 7.7782 7.8886 7.8886 8.2019 8.2019 8.3671 8.3671 9.2029 9.2029 9.2624 9.2624 9.5246 9.5246 k = 0.2759-0.2297-0.1521 ( 6567 PWs) bands (ev): -9.3318 -9.3318 -7.9509 -7.9509 -7.0463 -7.0463 -6.7831 -6.7831 -6.7028 -6.7028 -6.6741 -6.6741 -4.9033 -4.9033 -2.8743 -2.8743 -2.4419 -2.4419 -2.3938 -2.3938 -2.3181 -2.3181 -2.1719 -2.1719 -1.8268 -1.8268 -1.7581 -1.7581 -1.6996 -1.6996 -1.6594 -1.6594 -1.6362 -1.6362 -1.4949 -1.4949 -0.0017 -0.0017 0.5731 0.5731 0.7698 0.7698 1.0458 1.0458 1.7193 1.7193 2.4087 2.4087 2.6747 2.6747 3.2476 3.2476 3.4978 3.4978 3.6417 3.6417 3.7983 3.7983 4.2771 4.2771 4.7191 4.7191 4.8520 4.8520 5.2240 5.2240 5.3391 5.3391 5.5526 5.5526 7.7848 7.7848 7.8994 7.8994 8.1991 8.1991 8.4073 8.4073 9.1591 9.1591 9.2218 9.2218 9.5138 9.5138 k = 0.2931-0.2440-0.1616 ( 6567 PWs) bands (ev): -9.3222 -9.3222 -7.9468 -7.9468 -7.0689 -7.0689 -6.7840 -6.7840 -6.7129 -6.7129 -6.6828 -6.6828 -4.8784 -4.8784 -2.8891 -2.8891 -2.4422 -2.4422 -2.3955 -2.3955 -2.3154 -2.3154 -2.1639 -2.1639 -1.8251 -1.8251 -1.7598 -1.7598 -1.6981 -1.6981 -1.6572 -1.6572 -1.6361 -1.6361 -1.4753 -1.4753 0.0237 0.0237 0.5658 0.5658 0.7707 0.7707 1.0578 1.0578 1.7599 1.7599 2.3592 2.3592 2.7031 2.7031 3.2142 3.2142 3.4998 3.4998 3.6197 3.6197 3.8226 3.8226 4.2248 4.2248 4.7063 4.7063 4.8372 4.8372 5.2399 5.2399 5.3395 5.3395 5.5406 5.5406 7.7887 7.7887 7.9080 7.9080 8.1919 8.1919 8.4404 8.4404 9.0885 9.0885 9.2029 9.2029 9.5174 9.5174 k = 0.3103-0.2584-0.1711 ( 6568 PWs) bands (ev): -9.3127 -9.3127 -7.9428 -7.9428 -7.0907 -7.0907 -6.7848 -6.7848 -6.7225 -6.7225 -6.6913 -6.6913 -4.8545 -4.8545 -2.9029 -2.9029 -2.4425 -2.4425 -2.3972 -2.3972 -2.3129 -2.3129 -2.1568 -2.1568 -1.8231 -1.8231 -1.7616 -1.7616 -1.6967 -1.6967 -1.6554 -1.6554 -1.6362 -1.6362 -1.4556 -1.4556 0.0485 0.0485 0.5600 0.5600 0.7737 0.7737 1.0718 1.0718 1.7985 1.7985 2.3032 2.3032 2.7248 2.7248 3.1842 3.1842 3.4846 3.4846 3.6206 3.6206 3.8505 3.8505 4.1771 4.1771 4.6899 4.6899 4.8278 4.8278 5.2480 5.2480 5.3482 5.3482 5.5281 5.5281 7.7906 7.7906 7.9151 7.9151 8.1809 8.1809 8.4643 8.4643 9.0137 9.0137 9.1840 9.1840 9.5369 9.5369 k = 0.3276-0.2727-0.1806 ( 6571 PWs) bands (ev): -9.3035 -9.3035 -7.9390 -7.9390 -7.1113 -7.1113 -6.7855 -6.7855 -6.7316 -6.7316 -6.6997 -6.6997 -4.8318 -4.8318 -2.9155 -2.9155 -2.4427 -2.4427 -2.3990 -2.3990 -2.3105 -2.3105 -2.1507 -2.1507 -1.8209 -1.8209 -1.7636 -1.7636 -1.6954 -1.6954 -1.6539 -1.6539 -1.6364 -1.6364 -1.4365 -1.4365 0.0723 0.0723 0.5555 0.5555 0.7789 0.7789 1.0877 1.0877 1.8343 1.8343 2.2416 2.2416 2.7405 2.7405 3.1586 3.1586 3.4654 3.4654 3.6295 3.6295 3.8785 3.8785 4.1363 4.1363 4.6723 4.6723 4.8231 4.8231 5.2486 5.2486 5.3636 5.3636 5.5159 5.5159 7.7909 7.7909 7.9214 7.9214 8.1670 8.1670 8.4784 8.4784 8.9403 8.9403 9.1623 9.1623 9.5706 9.5706 k = 0.3448-0.2871-0.1901 ( 6567 PWs) bands (ev): -9.2947 -9.2947 -7.9355 -7.9355 -7.1307 -7.1307 -6.7863 -6.7863 -6.7400 -6.7400 -6.7077 -6.7077 -4.8106 -4.8106 -2.9271 -2.9271 -2.4429 -2.4429 -2.4006 -2.4006 -2.3083 -2.3083 -2.1455 -2.1455 -1.8184 -1.8184 -1.7656 -1.7656 -1.6941 -1.6941 -1.6527 -1.6527 -1.6367 -1.6367 -1.4182 -1.4182 0.0947 0.0947 0.5523 0.5523 0.7866 0.7866 1.1056 1.1056 1.8665 1.8665 2.1755 2.1755 2.7511 2.7511 3.1380 3.1380 3.4501 3.4501 3.6366 3.6366 3.9025 3.9025 4.1049 4.1049 4.6572 4.6572 4.8216 4.8216 5.2446 5.2446 5.3801 5.3801 5.5057 5.5057 7.7900 7.7900 7.9270 7.9270 8.1507 8.1507 8.4833 8.4833 8.8711 8.8711 9.1388 9.1388 9.6154 9.6154 k = 0.3621-0.3014-0.1996 ( 6565 PWs) bands (ev): -9.2864 -9.2864 -7.9321 -7.9321 -7.1485 -7.1485 -6.7870 -6.7870 -6.7476 -6.7476 -6.7153 -6.7153 -4.7910 -4.7910 -2.9375 -2.9375 -2.4431 -2.4431 -2.4021 -2.4021 -2.3063 -2.3063 -2.1410 -2.1410 -1.8157 -1.8157 -1.7676 -1.7676 -1.6929 -1.6929 -1.6519 -1.6519 -1.6369 -1.6369 -1.4010 -1.4010 0.1153 0.1153 0.5503 0.5503 0.7964 0.7964 1.1254 1.1254 1.8943 1.8943 2.1063 2.1063 2.7582 2.7582 3.1232 3.1232 3.4397 3.4397 3.6385 3.6385 3.9186 3.9186 4.0845 4.0845 4.6482 4.6482 4.8222 4.8222 5.2387 5.2387 5.3904 5.3904 5.5016 5.5016 7.7879 7.7879 7.9318 7.9318 8.1329 8.1329 8.4799 8.4799 8.8080 8.8080 9.1152 9.1152 9.6676 9.6676 k = 0.3793-0.3158-0.2092 ( 6562 PWs) bands (ev): -9.2788 -9.2788 -7.9291 -7.9291 -7.1647 -7.1647 -6.7877 -6.7877 -6.7542 -6.7542 -6.7224 -6.7224 -4.7733 -4.7733 -2.9468 -2.9468 -2.4432 -2.4432 -2.4036 -2.4036 -2.3044 -2.3044 -2.1372 -2.1372 -1.8129 -1.8129 -1.7698 -1.7698 -1.6919 -1.6919 -1.6513 -1.6513 -1.6371 -1.6371 -1.3853 -1.3853 0.1338 0.1338 0.5493 0.5493 0.8080 0.8080 1.1476 1.1476 1.9169 1.9169 2.0358 2.0358 2.7629 2.7629 3.1149 3.1149 3.4322 3.4322 3.6354 3.6354 3.9255 3.9255 4.0734 4.0734 4.6485 4.6485 4.8240 4.8240 5.2323 5.2323 5.3883 5.3883 5.5080 5.5080 7.7849 7.7849 7.9357 7.9357 8.1146 8.1146 8.4699 8.4699 8.7526 8.7526 9.0929 9.0929 9.7233 9.7233 k = 0.3966-0.3301-0.2187 ( 6553 PWs) bands (ev): -9.2719 -9.2719 -7.9265 -7.9265 -7.1791 -7.1791 -6.7885 -6.7885 -6.7598 -6.7598 -6.7289 -6.7289 -4.7576 -4.7576 -2.9549 -2.9549 -2.4433 -2.4433 -2.4048 -2.4048 -2.3027 -2.3027 -2.1341 -2.1341 -1.8101 -1.8101 -1.7720 -1.7720 -1.6909 -1.6909 -1.6510 -1.6510 -1.6371 -1.6371 -1.3713 -1.3713 0.1501 0.1501 0.5491 0.5491 0.8205 0.8205 1.1724 1.1724 1.9296 1.9296 1.9699 1.9699 2.7663 2.7663 3.1135 3.1135 3.4241 3.4241 3.6304 3.6304 3.9253 3.9253 4.0664 4.0664 4.6597 4.6597 4.8264 4.8264 5.2262 5.2262 5.3738 5.3738 5.5232 5.5232 7.7812 7.7812 7.9383 7.9383 8.0965 8.0965 8.4553 8.4553 8.7057 8.7057 9.0727 9.0727 9.7794 9.7794 k = 0.4138-0.3445-0.2282 ( 6554 PWs) bands (ev): -9.2658 -9.2658 -7.9241 -7.9241 -7.1915 -7.1915 -6.7895 -6.7895 -6.7642 -6.7642 -6.7347 -6.7347 -4.7440 -4.7440 -2.9617 -2.9617 -2.4434 -2.4434 -2.4059 -2.4059 -2.3013 -2.3013 -2.1315 -2.1315 -1.8072 -1.8072 -1.7742 -1.7742 -1.6901 -1.6901 -1.6509 -1.6509 -1.6372 -1.6372 -1.3591 -1.3591 0.1638 0.1638 0.5494 0.5494 0.8332 0.8332 1.1999 1.1999 1.8863 1.8863 1.9566 1.9566 2.7689 2.7689 3.1194 3.1194 3.4112 3.4112 3.6278 3.6278 3.9206 3.9206 4.0593 4.0593 4.6812 4.6812 4.8289 4.8289 5.2210 5.2210 5.3515 5.3515 5.5422 5.5422 7.7771 7.7771 7.9396 7.9396 8.0796 8.0796 8.4385 8.4385 8.6675 8.6675 9.0553 9.0553 9.8326 9.8326 k = 0.4310-0.3589-0.2377 ( 6568 PWs) bands (ev): -9.2607 -9.2607 -7.9222 -7.9222 -7.2018 -7.2018 -6.7905 -6.7905 -6.7674 -6.7674 -6.7398 -6.7398 -4.7327 -4.7327 -2.9674 -2.9674 -2.4435 -2.4435 -2.4068 -2.4068 -2.3002 -2.3002 -2.1295 -2.1295 -1.8044 -1.8044 -1.7764 -1.7764 -1.6894 -1.6894 -1.6509 -1.6509 -1.6371 -1.6371 -1.3490 -1.3490 0.1751 0.1751 0.5501 0.5501 0.8449 0.8449 1.2300 1.2300 1.8207 1.8207 1.9646 1.9646 2.7710 2.7710 3.1324 3.1324 3.3909 3.3909 3.6310 3.6310 3.9126 3.9126 4.0508 4.0508 4.7101 4.7101 4.8310 4.8310 5.2171 5.2171 5.3252 5.3252 5.5610 5.5610 7.7730 7.7730 7.9394 7.9394 8.0647 8.0647 8.4221 8.4221 8.6373 8.6373 9.0409 9.0409 9.8802 9.8802 k = 0.4483-0.3732-0.2472 ( 6564 PWs) bands (ev): -9.2566 -9.2566 -7.9207 -7.9207 -7.2099 -7.2099 -6.7916 -6.7916 -6.7695 -6.7695 -6.7440 -6.7440 -4.7239 -4.7239 -2.9718 -2.9718 -2.4436 -2.4436 -2.4075 -2.4075 -2.2992 -2.2992 -2.1280 -2.1280 -1.8017 -1.8017 -1.7785 -1.7785 -1.6888 -1.6888 -1.6510 -1.6510 -1.6371 -1.6371 -1.3410 -1.3410 0.1838 0.1838 0.5510 0.5510 0.8550 0.8550 1.2613 1.2613 1.7592 1.7592 1.9708 1.9708 2.7727 2.7727 3.1518 3.1518 3.3634 3.3634 3.6402 3.6402 3.9017 3.9017 4.0425 4.0425 4.7420 4.7420 4.8325 4.8325 5.2151 5.2151 5.2976 5.2976 5.5774 5.5774 7.7691 7.7691 7.9381 7.9381 8.0525 8.0525 8.4083 8.4083 8.6142 8.6142 9.0297 9.0297 9.9196 9.9196 k = 0.4655-0.3876-0.2567 ( 6563 PWs) bands (ev): -9.2537 -9.2537 -7.9196 -7.9196 -7.2158 -7.2158 -6.7926 -6.7926 -6.7707 -6.7707 -6.7472 -6.7472 -4.7175 -4.7175 -2.9749 -2.9749 -2.4436 -2.4436 -2.4080 -2.4080 -2.2986 -2.2986 -2.1269 -2.1269 -1.7994 -1.7994 -1.7804 -1.7804 -1.6884 -1.6884 -1.6511 -1.6511 -1.6370 -1.6370 -1.3352 -1.3352 0.1900 0.1900 0.5517 0.5517 0.8627 0.8627 1.2911 1.2911 1.7069 1.7069 1.9748 1.9748 2.7738 2.7738 3.1764 3.1764 3.3317 3.3317 3.6523 3.6523 3.8893 3.8893 4.0360 4.0360 4.7720 4.7720 4.8328 4.8328 5.2158 5.2158 5.2713 5.2713 5.5899 5.5899 7.7661 7.7661 7.9363 7.9363 8.0434 8.0434 8.3981 8.3981 8.5979 8.5979 9.0218 9.0218 9.9490 9.9490 k = 0.4828-0.4019-0.2662 ( 6555 PWs) bands (ev): -9.2519 -9.2519 -7.9190 -7.9190 -7.2193 -7.2193 -6.7933 -6.7933 -6.7713 -6.7713 -6.7492 -6.7492 -4.7136 -4.7136 -2.9768 -2.9768 -2.4437 -2.4437 -2.4083 -2.4083 -2.2982 -2.2982 -2.1263 -2.1263 -1.7978 -1.7978 -1.7818 -1.7818 -1.6881 -1.6881 -1.6511 -1.6511 -1.6370 -1.6370 -1.3317 -1.3317 0.1937 0.1937 0.5523 0.5523 0.8675 0.8675 1.3142 1.3142 1.6700 1.6700 1.9769 1.9769 2.7745 2.7745 3.2024 3.2024 3.3007 3.3007 3.6627 3.6627 3.8789 3.8789 4.0321 4.0321 4.7946 4.7946 4.8313 4.8313 5.2202 5.2202 5.2493 5.2493 5.5978 5.5978 7.7641 7.7641 7.9348 7.9348 8.0378 8.0378 8.3921 8.3921 8.5881 8.5881 9.0171 9.0171 9.9670 9.9670 k = 0.5000-0.4163-0.2757 ( 6564 PWs) bands (ev): -9.2513 -9.2513 -7.9188 -7.9188 -7.2205 -7.2205 -6.7935 -6.7935 -6.7714 -6.7714 -6.7499 -6.7499 -4.7123 -4.7123 -2.9774 -2.9774 -2.4437 -2.4437 -2.4084 -2.4084 -2.2980 -2.2980 -2.1260 -2.1260 -1.7971 -1.7971 -1.7824 -1.7824 -1.6881 -1.6881 -1.6512 -1.6512 -1.6370 -1.6370 -1.3305 -1.3305 0.1950 0.1950 0.5525 0.5525 0.8691 0.8691 1.3232 1.3232 1.6564 1.6564 1.9775 1.9775 2.7747 2.7747 3.2173 3.2173 3.2841 3.2841 3.6669 3.6669 3.8748 3.8748 4.0308 4.0308 4.8039 4.8039 4.8298 4.8298 5.2261 5.2261 5.2370 5.2370 5.6005 5.6005 7.7634 7.7634 7.9342 7.9342 8.0359 8.0359 8.3901 8.3901 8.5848 8.5848 9.0155 9.0155 9.9730 9.9730 k = 0.5000-0.4163-0.2757 ( 6564 PWs) bands (ev): -9.2513 -9.2513 -7.9188 -7.9188 -7.2205 -7.2205 -6.7935 -6.7935 -6.7714 -6.7714 -6.7499 -6.7499 -4.7123 -4.7123 -2.9774 -2.9774 -2.4437 -2.4437 -2.4084 -2.4084 -2.2980 -2.2980 -2.1260 -2.1260 -1.7971 -1.7971 -1.7824 -1.7824 -1.6881 -1.6881 -1.6512 -1.6512 -1.6370 -1.6370 -1.3305 -1.3305 0.1950 0.1950 0.5525 0.5525 0.8691 0.8691 1.3232 1.3232 1.6564 1.6564 1.9775 1.9775 2.7747 2.7747 3.2173 3.2173 3.2841 3.2841 3.6669 3.6669 3.8748 3.8748 4.0308 4.0308 4.8039 4.8039 4.8298 4.8298 5.2261 5.2261 5.2370 5.2370 5.6005 5.6005 7.7634 7.7634 7.9342 7.9342 8.0359 8.0359 8.3901 8.3901 8.5848 8.5848 9.0155 9.0155 9.9730 9.9730 k = 0.5000-0.4033-0.2953 ( 6554 PWs) bands (ev): -9.2511 -9.2511 -7.9187 -7.9187 -7.2200 -7.2200 -6.7956 -6.7956 -6.7709 -6.7709 -6.7498 -6.7498 -4.7114 -4.7114 -2.9777 -2.9777 -2.4437 -2.4437 -2.4083 -2.4083 -2.2986 -2.2986 -2.1255 -2.1255 -1.7973 -1.7973 -1.7821 -1.7821 -1.6885 -1.6885 -1.6512 -1.6512 -1.6370 -1.6370 -1.3294 -1.3294 0.1971 0.1971 0.5528 0.5528 0.8685 0.8685 1.3207 1.3207 1.6529 1.6529 1.9799 1.9799 2.7727 2.7727 3.2165 3.2165 3.2873 3.2873 3.6654 3.6654 3.8776 3.8776 4.0323 4.0323 4.8015 4.8015 4.8309 4.8309 5.2195 5.2195 5.2450 5.2450 5.6021 5.6021 7.7575 7.7575 7.9352 7.9352 8.0291 8.0291 8.3958 8.3958 8.5839 8.5839 9.0148 9.0148 9.9753 9.9753 k = 0.5000-0.3903-0.3149 ( 6564 PWs) bands (ev): -9.2505 -9.2505 -7.9185 -7.9185 -7.2186 -7.2186 -6.8012 -6.8012 -6.7698 -6.7698 -6.7498 -6.7498 -4.7088 -4.7088 -2.9784 -2.9784 -2.4436 -2.4436 -2.4079 -2.4079 -2.3005 -2.3005 -2.1240 -2.1240 -1.7976 -1.7976 -1.7812 -1.7812 -1.6899 -1.6899 -1.6513 -1.6513 -1.6370 -1.6370 -1.3261 -1.3261 0.2036 0.2036 0.5537 0.5537 0.8665 0.8665 1.3132 1.3132 1.6426 1.6426 1.9867 1.9867 2.7665 2.7665 3.2148 3.2148 3.2962 3.2962 3.6614 3.6614 3.8856 3.8856 4.0367 4.0367 4.7955 4.7955 4.8331 4.8331 5.2106 5.2106 5.2578 5.2578 5.6071 5.6071 7.7410 7.7410 7.9350 7.9350 8.0127 8.0127 8.4102 8.4102 8.5823 8.5823 9.0130 9.0130 9.9817 9.9817 k = 0.5000-0.3774-0.3345 ( 6560 PWs) bands (ev): -9.2496 -9.2496 -7.9182 -7.9182 -7.2163 -7.2163 -6.8096 -6.8096 -6.7690 -6.7690 -6.7496 -6.7496 -4.7046 -4.7046 -2.9796 -2.9796 -2.4434 -2.4434 -2.4073 -2.4073 -2.3033 -2.3033 -2.1216 -2.1216 -1.7980 -1.7980 -1.7799 -1.7799 -1.6920 -1.6920 -1.6518 -1.6518 -1.6368 -1.6368 -1.3208 -1.3208 0.2144 0.2144 0.5553 0.5553 0.8634 0.8634 1.3010 1.3010 1.6264 1.6264 1.9972 1.9972 2.7564 2.7564 3.2134 3.2134 3.3095 3.3095 3.6556 3.6556 3.8978 3.8978 4.0435 4.0435 4.7875 4.7875 4.8350 4.8350 5.2026 5.2026 5.2719 5.2719 5.6154 5.6154 7.7163 7.7163 7.9241 7.9241 7.9986 7.9986 8.4263 8.4263 8.5825 8.5825 9.0109 9.0109 9.9825 9.9825 k = 0.5000-0.3644-0.3541 ( 6568 PWs) bands (ev): -9.2483 -9.2483 -7.9179 -7.9179 -7.2131 -7.2131 -6.8200 -6.8200 -6.7688 -6.7688 -6.7494 -6.7494 -4.6989 -4.6989 -2.9812 -2.9812 -2.4432 -2.4432 -2.4064 -2.4064 -2.3071 -2.3071 -2.1186 -2.1186 -1.7985 -1.7985 -1.7783 -1.7783 -1.6947 -1.6947 -1.6527 -1.6527 -1.6365 -1.6365 -1.3136 -1.3136 0.2293 0.2293 0.5576 0.5576 0.8591 0.8591 1.2845 1.2845 1.6052 1.6052 2.0106 2.0106 2.7428 2.7428 3.2131 3.2131 3.3259 3.3259 3.6491 3.6491 3.9130 3.9130 4.0522 4.0522 4.7786 4.7786 4.8363 4.8363 5.1955 5.1955 5.2865 5.2865 5.6273 5.6273 7.6857 7.6857 7.8961 7.8961 7.9955 7.9955 8.4357 8.4357 8.5892 8.5892 9.0094 9.0094 9.9194 9.9194 k = 0.5000-0.3514-0.3736 ( 6562 PWs) bands (ev): -9.2466 -9.2466 -7.9175 -7.9175 -7.2089 -7.2089 -6.8323 -6.8323 -6.7695 -6.7695 -6.7491 -6.7491 -4.6918 -4.6918 -2.9832 -2.9832 -2.4430 -2.4430 -2.4052 -2.4052 -2.3117 -2.3117 -2.1150 -2.1150 -1.7989 -1.7989 -1.7764 -1.7764 -1.6977 -1.6977 -1.6540 -1.6540 -1.6360 -1.6360 -1.3049 -1.3049 0.2483 0.2483 0.5607 0.5607 0.8536 0.8536 1.2643 1.2643 1.5798 1.5798 2.0261 2.0261 2.7260 2.7260 3.2144 3.2144 3.3444 3.3444 3.6426 3.6426 3.9300 3.9300 4.0619 4.0619 4.7692 4.7692 4.8374 4.8374 5.1887 5.1887 5.3012 5.3012 5.6427 5.6427 7.6509 7.6509 7.8583 7.8583 7.9982 7.9982 8.4327 8.4327 8.6059 8.6059 9.0094 9.0094 9.8396 9.8396 k = 0.5000-0.3384-0.3932 ( 6562 PWs) bands (ev): -9.2447 -9.2447 -7.9170 -7.9170 -7.2039 -7.2039 -6.8462 -6.8462 -6.7708 -6.7708 -6.7487 -6.7487 -4.6837 -4.6837 -2.9855 -2.9855 -2.4427 -2.4427 -2.4037 -2.4037 -2.3167 -2.3167 -2.1111 -2.1111 -1.7993 -1.7993 -1.7744 -1.7744 -1.7008 -1.7008 -1.6559 -1.6559 -1.6353 -1.6353 -1.2951 -1.2951 0.2712 0.2712 0.5647 0.5647 0.8471 0.8471 1.2409 1.2409 1.5511 1.5511 2.0428 2.0428 2.7065 2.7065 3.2177 3.2177 3.3641 3.3641 3.6367 3.6367 3.9479 3.9479 4.0715 4.0715 4.7597 4.7597 4.8387 4.8387 5.1817 5.1817 5.3156 5.3156 5.6616 5.6616 7.6130 7.6130 7.8178 7.8178 8.0014 8.0014 8.4174 8.4174 8.6312 8.6312 9.0117 9.0117 9.7578 9.7578 k = 0.5000-0.3255-0.4128 ( 6556 PWs) bands (ev): -9.2425 -9.2425 -7.9166 -7.9166 -7.1980 -7.1980 -6.8614 -6.8614 -6.7728 -6.7728 -6.7481 -6.7481 -4.6746 -4.6746 -2.9880 -2.9880 -2.4424 -2.4424 -2.4019 -2.4019 -2.3221 -2.3221 -2.1071 -2.1071 -1.7996 -1.7996 -1.7724 -1.7724 -1.7038 -1.7038 -1.6581 -1.6581 -1.6345 -1.6345 -1.2845 -1.2845 0.2977 0.2977 0.5697 0.5697 0.8398 0.8398 1.2151 1.2151 1.5198 1.5198 2.0604 2.0604 2.6849 2.6849 3.2230 3.2230 3.3842 3.3842 3.6317 3.6317 3.9659 3.9659 4.0800 4.0800 4.7506 4.7506 4.8409 4.8409 5.1739 5.1739 5.3294 5.3294 5.6836 5.6836 7.5730 7.5730 7.7781 7.7781 8.0032 8.0032 8.3933 8.3933 8.6617 8.6617 9.0167 9.0167 9.6761 9.6761 k = 0.5000-0.3125-0.4324 ( 6556 PWs) bands (ev): -9.2401 -9.2401 -7.9163 -7.9163 -7.1912 -7.1912 -6.8778 -6.8778 -6.7754 -6.7754 -6.7474 -6.7474 -4.6648 -4.6648 -2.9906 -2.9906 -2.4422 -2.4422 -2.3998 -2.3998 -2.3278 -2.3278 -2.1031 -2.1031 -1.7998 -1.7998 -1.7704 -1.7704 -1.7065 -1.7065 -1.6606 -1.6606 -1.6337 -1.6337 -1.2735 -1.2735 0.3275 0.3275 0.5757 0.5757 0.8317 0.8317 1.1878 1.1878 1.4865 1.4865 2.0784 2.0784 2.6618 2.6618 3.2305 3.2305 3.4040 3.4040 3.6279 3.6279 3.9834 3.9834 4.0861 4.0861 4.7427 4.7427 4.8444 4.8444 5.1647 5.1647 5.3424 5.3424 5.7081 5.7081 7.5319 7.5319 7.7414 7.7414 8.0030 8.0030 8.3634 8.3634 8.6946 8.6946 9.0242 9.0242 9.5961 9.5961 k = 0.5000-0.2995-0.4520 ( 6554 PWs) bands (ev): -9.2376 -9.2376 -7.9161 -7.9161 -7.1836 -7.1836 -6.8950 -6.8950 -6.7783 -6.7783 -6.7465 -6.7465 -4.6548 -4.6548 -2.9933 -2.9933 -2.4420 -2.4420 -2.3974 -2.3974 -2.3335 -2.3335 -2.0994 -2.0994 -1.7999 -1.7999 -1.7686 -1.7686 -1.7088 -1.7088 -1.6634 -1.6634 -1.6329 -1.6329 -1.2626 -1.2626 0.3602 0.3602 0.5828 0.5828 0.8230 0.8230 1.1597 1.1597 1.4517 1.4517 2.0964 2.0964 2.6378 2.6378 3.2400 3.2400 3.4227 3.4227 3.6253 3.6253 3.9999 3.9999 4.0887 4.0887 4.7367 4.7367 4.8491 4.8491 5.1535 5.1535 5.3546 5.3546 5.7344 5.7344 7.4908 7.4908 7.7091 7.7091 8.0008 8.0008 8.3301 8.3301 8.7285 8.7285 9.0335 9.0335 9.5197 9.5197 k = 0.5000-0.2865-0.4716 ( 6558 PWs) bands (ev): -9.2349 -9.2349 -7.9161 -7.9161 -7.1752 -7.1752 -6.9129 -6.9129 -6.7815 -6.7815 -6.7455 -6.7455 -4.6446 -4.6446 -2.9960 -2.9960 -2.4418 -2.4418 -2.3947 -2.3947 -2.3391 -2.3391 -2.0959 -2.0959 -1.7999 -1.7999 -1.7672 -1.7672 -1.7106 -1.7106 -1.6662 -1.6662 -1.6322 -1.6322 -1.2521 -1.2521 0.3951 0.3951 0.5908 0.5908 0.8140 0.8140 1.1320 1.1320 1.4159 1.4159 2.1143 2.1143 2.6133 2.6133 3.2516 3.2516 3.4393 3.4393 3.6240 3.6240 4.0151 4.0151 4.0870 4.0870 4.7335 4.7335 4.8547 4.8547 5.1400 5.1400 5.3658 5.3658 5.7614 5.7614 7.4509 7.4509 7.6822 7.6822 7.9970 7.9970 8.2948 8.2948 8.7628 8.7628 9.0434 9.0434 9.4489 9.4489 k = 0.5000-0.2736-0.4912 ( 6560 PWs) bands (ev): -9.2322 -9.2322 -7.9163 -7.9163 -7.1660 -7.1660 -6.9312 -6.9312 -6.7848 -6.7848 -6.7444 -6.7444 -4.6345 -4.6345 -2.9986 -2.9986 -2.4417 -2.4417 -2.3916 -2.3916 -2.3447 -2.3447 -2.0928 -2.0928 -1.7999 -1.7999 -1.7660 -1.7660 -1.7116 -1.7116 -1.6691 -1.6691 -1.6316 -1.6316 -1.2424 -1.2424 0.4312 0.4312 0.5999 0.5999 0.8047 0.8047 1.1061 1.1061 1.3795 1.3795 2.1318 2.1318 2.5891 2.5891 3.2652 3.2652 3.4532 3.4532 3.6240 3.6240 4.0284 4.0284 4.0806 4.0806 4.7336 4.7336 4.8609 4.8609 5.1240 5.1240 5.3763 5.3763 5.7880 5.7880 7.4132 7.4132 7.6614 7.6614 7.9921 7.9921 8.2590 8.2590 8.7971 8.7971 9.0513 9.0513 9.3864 9.3864 k = 0.5000-0.2606-0.5107 ( 6566 PWs) bands (ev): -9.2295 -9.2295 -7.9169 -7.9169 -7.1561 -7.1561 -6.9495 -6.9495 -6.7880 -6.7880 -6.7432 -6.7432 -4.6249 -4.6249 -3.0010 -3.0010 -2.4416 -2.4416 -2.3883 -2.3883 -2.3502 -2.3502 -2.0901 -2.0901 -1.7997 -1.7997 -1.7653 -1.7653 -1.7120 -1.7120 -1.6719 -1.6719 -1.6311 -1.6311 -1.2340 -1.2340 0.4669 0.4669 0.6100 0.6100 0.7953 0.7953 1.0836 1.0836 1.3430 1.3430 2.1486 2.1486 2.5656 2.5656 3.2806 3.2806 3.4636 3.4636 3.6254 3.6254 4.0388 4.0388 4.0703 4.0703 4.7371 4.7371 4.8668 4.8668 5.1054 5.1054 5.3861 5.3861 5.8132 5.8132 7.3790 7.3790 7.6469 7.6469 7.9867 7.9867 8.2243 8.2243 8.8312 8.8312 9.0540 9.0540 9.3361 9.3361 k = 0.5000-0.2476-0.5303 ( 6562 PWs) bands (ev): -9.2269 -9.2269 -7.9179 -7.9179 -7.1454 -7.1454 -6.9677 -6.9677 -6.7910 -6.7910 -6.7418 -6.7418 -4.6160 -4.6160 -3.0031 -3.0031 -2.4415 -2.4415 -2.3848 -2.3848 -2.3554 -2.3554 -2.0879 -2.0879 -1.7995 -1.7995 -1.7649 -1.7649 -1.7119 -1.7119 -1.6744 -1.6744 -1.6307 -1.6307 -1.2271 -1.2271 0.4998 0.4998 0.6219 0.6219 0.7856 0.7856 1.0670 1.0670 1.3068 1.3068 2.1647 2.1647 2.5435 2.5435 3.2976 3.2976 3.4698 3.4698 3.6281 3.6281 4.0408 4.0408 4.0617 4.0617 4.7434 4.7434 4.8719 4.8719 5.0845 5.0845 5.3953 5.3953 5.8356 5.8356 7.3495 7.3495 7.6389 7.6389 7.9814 7.9814 8.1919 8.1919 8.8648 8.8648 9.0475 9.0475 9.3023 9.3023 k = 0.5000-0.2347-0.5499 ( 6558 PWs) bands (ev): -9.2245 -9.2245 -7.9194 -7.9194 -7.1341 -7.1341 -6.9853 -6.9853 -6.7937 -6.7937 -6.7404 -6.7404 -4.6080 -4.6080 -3.0049 -3.0049 -2.4415 -2.4415 -2.3811 -2.3811 -2.3604 -2.3604 -2.0863 -2.0863 -1.7993 -1.7993 -1.7648 -1.7648 -1.7113 -1.7113 -1.6766 -1.6766 -1.6305 -1.6305 -1.2221 -1.2221 0.5260 0.5260 0.6374 0.6374 0.7753 0.7753 1.0587 1.0587 1.2713 1.2713 2.1796 2.1796 2.5234 2.5234 3.3159 3.3159 3.4716 3.4716 3.6322 3.6322 4.0260 4.0260 4.0640 4.0640 4.7517 4.7517 4.8756 4.8756 5.0616 5.0616 5.4039 5.4039 5.8543 5.8543 7.3258 7.3258 7.6370 7.6370 7.9766 7.9766 8.1633 8.1633 8.8969 8.8969 9.0309 9.0309 9.2871 9.2871 k = 0.5000-0.2217-0.5695 ( 6562 PWs) bands (ev): -9.2223 -9.2223 -7.9213 -7.9213 -7.1221 -7.1221 -7.0023 -7.0023 -6.7959 -6.7959 -6.7388 -6.7388 -4.6010 -4.6010 -3.0062 -3.0062 -2.4415 -2.4415 -2.3772 -2.3772 -2.3650 -2.3650 -2.0852 -2.0852 -1.7991 -1.7991 -1.7648 -1.7648 -1.7106 -1.7106 -1.6783 -1.6783 -1.6303 -1.6303 -1.2192 -1.2192 0.5414 0.5414 0.6579 0.6579 0.7642 0.7642 1.0611 1.0611 1.2371 1.2371 2.1931 2.1931 2.5057 2.5057 3.3350 3.3350 3.4693 3.4693 3.6373 3.6373 4.0039 4.0039 4.0683 4.0683 4.7601 4.7601 4.8774 4.8774 5.0378 5.0378 5.4121 5.4121 5.8682 5.8682 7.3085 7.3085 7.6407 7.6407 7.9728 7.9728 8.1403 8.1403 8.9242 8.9242 9.0105 9.0105 9.2874 9.2874 k = 0.5000-0.2087-0.5891 ( 6564 PWs) bands (ev): -9.2204 -9.2204 -7.9239 -7.9239 -7.1095 -7.1095 -7.0183 -7.0183 -6.7975 -6.7975 -6.7371 -6.7371 -4.5954 -4.5954 -3.0070 -3.0070 -2.4414 -2.4414 -2.3736 -2.3736 -2.3690 -2.3690 -2.0847 -2.0847 -1.7989 -1.7989 -1.7649 -1.7649 -1.7101 -1.7101 -1.6792 -1.6792 -1.6302 -1.6302 -1.2185 -1.2185 0.5450 0.5450 0.6814 0.6814 0.7539 0.7539 1.0753 1.0753 1.2052 1.2052 2.2050 2.2050 2.4910 2.4910 3.3535 3.3535 3.4640 3.4640 3.6433 3.6433 3.9791 3.9791 4.0710 4.0710 4.7662 4.7662 4.8772 4.8772 5.0147 5.0147 5.4197 5.4197 5.8766 5.8766 7.2983 7.2983 7.6490 7.6490 7.9702 7.9702 8.1246 8.1246 8.9336 8.9336 9.0048 9.0048 9.2981 9.2981 k = 0.5000-0.1957-0.6087 ( 6568 PWs) bands (ev): -9.2188 -9.2188 -7.9271 -7.9271 -7.0964 -7.0964 -7.0331 -7.0331 -6.7984 -6.7984 -6.7353 -6.7353 -4.5912 -4.5912 -3.0073 -3.0073 -2.4414 -2.4414 -2.3744 -2.3744 -2.3681 -2.3681 -2.0848 -2.0848 -1.7989 -1.7989 -1.7650 -1.7650 -1.7100 -1.7100 -1.6791 -1.6791 -1.6303 -1.6303 -1.2202 -1.2202 0.5386 0.5386 0.6983 0.6983 0.7514 0.7514 1.0981 1.0981 1.1790 1.1790 2.2150 2.2150 2.4797 2.4797 3.3688 3.3688 3.4586 3.4586 3.6497 3.6497 3.9532 3.9532 4.0712 4.0712 4.7667 4.7667 4.8749 4.8749 4.9948 4.9948 5.4269 5.4269 5.8789 5.8789 7.2956 7.2956 7.6606 7.6606 7.9691 7.9691 8.1177 8.1177 8.9181 8.9181 9.0248 9.0248 9.3150 9.3150 k = 0.5000-0.1828-0.6283 ( 6566 PWs) bands (ev): -9.2177 -9.2177 -7.9310 -7.9310 -7.0829 -7.0829 -7.0464 -7.0464 -6.7986 -6.7986 -6.7335 -6.7335 -4.5885 -4.5885 -3.0069 -3.0069 -2.4413 -2.4413 -2.3781 -2.3781 -2.3642 -2.3642 -2.0854 -2.0854 -1.7990 -1.7990 -1.7650 -1.7650 -1.7105 -1.7105 -1.6781 -1.6781 -1.6304 -1.6304 -1.2243 -1.2243 0.5246 0.5246 0.6967 0.6967 0.7674 0.7674 1.1110 1.1110 1.1765 1.1765 2.2229 2.2229 2.4719 2.4719 3.3755 3.3755 3.4590 3.4590 3.6562 3.6562 3.9273 3.9273 4.0686 4.0686 4.7586 4.7586 4.8700 4.8700 4.9816 4.9816 5.4334 5.4334 5.8748 5.8748 7.3004 7.3004 7.6741 7.6741 7.9700 7.9700 8.1208 8.1208 8.8964 8.8964 9.0547 9.0547 9.3357 9.3357 k = 0.5000-0.1698-0.6478 ( 6566 PWs) bands (ev): -9.2171 -9.2171 -7.9355 -7.9355 -7.0697 -7.0697 -7.0573 -7.0573 -6.7978 -6.7978 -6.7315 -6.7315 -4.5875 -4.5875 -3.0059 -3.0059 -2.4412 -2.4412 -2.3816 -2.3816 -2.3600 -2.3600 -2.0866 -2.0866 -1.7993 -1.7993 -1.7648 -1.7648 -1.7113 -1.7113 -1.6764 -1.6764 -1.6305 -1.6305 -1.2308 -1.2308 0.5046 0.5046 0.6850 0.6850 0.7929 0.7929 1.0955 1.0955 1.2145 1.2145 2.2290 2.2290 2.4676 2.4676 3.3696 3.3696 3.4698 3.4698 3.6627 3.6627 3.9019 3.9019 4.0631 4.0631 4.7403 4.7403 4.8612 4.8612 4.9777 4.9777 5.4392 5.4392 5.8643 5.8643 7.3124 7.3124 7.6877 7.6877 7.9740 7.9740 8.1341 8.1341 8.8774 8.8774 9.0865 9.0865 9.3588 9.3588 k = 0.5000-0.1568-0.6674 ( 6564 PWs) bands (ev): -9.2170 -9.2170 -7.9408 -7.9408 -7.0701 -7.0701 -7.0526 -7.0526 -6.7962 -6.7962 -6.7294 -6.7294 -4.5883 -4.5883 -3.0041 -3.0041 -2.4411 -2.4411 -2.3849 -2.3849 -2.3558 -2.3558 -2.0884 -2.0884 -1.7999 -1.7999 -1.7644 -1.7644 -1.7124 -1.7124 -1.6741 -1.6741 -1.6307 -1.6307 -1.2397 -1.2397 0.4800 0.4800 0.6714 0.6714 0.8195 0.8195 1.0725 1.0725 1.2703 1.2703 2.2333 2.2333 2.4664 2.4664 3.3545 3.3545 3.4882 3.4882 3.6691 3.6691 3.8776 3.8776 4.0544 4.0544 4.7129 4.7129 4.8483 4.8483 4.9828 4.9828 5.4441 5.4441 5.8474 5.8474 7.3312 7.3312 7.7000 7.7000 7.9825 7.9825 8.1573 8.1573 8.8639 8.8639 9.1182 9.1182 9.3839 9.3839 k = 0.5000-0.1439-0.6870 ( 6560 PWs) bands (ev): -9.2175 -9.2175 -7.9469 -7.9469 -7.0778 -7.0778 -7.0381 -7.0381 -6.7936 -6.7936 -6.7272 -6.7272 -4.5909 -4.5909 -3.0016 -3.0016 -2.4409 -2.4409 -2.3879 -2.3879 -2.3517 -2.3517 -2.0908 -2.0908 -1.8008 -1.8008 -1.7638 -1.7638 -1.7134 -1.7134 -1.6716 -1.6716 -1.6308 -1.6308 -1.2510 -1.2510 0.4520 0.4520 0.6584 0.6584 0.8445 0.8445 1.0503 1.0503 1.3347 1.3347 2.2362 2.2362 2.4678 2.4678 3.3353 3.3353 3.5096 3.5096 3.6753 3.6753 3.8548 3.8548 4.0429 4.0429 4.6786 4.6786 4.8324 4.8324 4.9943 4.9943 5.4479 5.4479 5.8247 5.8247 7.3560 7.3560 7.7101 7.7101 7.9963 7.9963 8.1892 8.1892 8.8567 8.8567 9.1488 9.1488 9.4108 9.4108 k = 0.5000-0.1309-0.7066 ( 6560 PWs) bands (ev): -9.2187 -9.2187 -7.9536 -7.9536 -7.0841 -7.0841 -7.0230 -7.0230 -6.7901 -6.7901 -6.7248 -6.7248 -4.5953 -4.5953 -2.9982 -2.9982 -2.4407 -2.4407 -2.3906 -2.3906 -2.3478 -2.3478 -2.0936 -2.0936 -1.8021 -1.8021 -1.7631 -1.7631 -1.7144 -1.7144 -1.6691 -1.6691 -1.6309 -1.6309 -1.2643 -1.2643 0.4215 0.4215 0.6467 0.6467 0.8663 0.8663 1.0308 1.0308 1.4043 1.4043 2.2379 2.2379 2.4713 2.4713 3.3154 3.3154 3.5310 3.5310 3.6814 3.6814 3.8336 3.8336 4.0288 4.0288 4.6399 4.6399 4.8150 4.8150 5.0095 5.0095 5.4505 5.4505 5.7967 5.7967 7.3861 7.3861 7.7178 7.7178 8.0158 8.0158 8.2282 8.2282 8.8563 8.8563 9.1773 9.1773 9.4397 9.4397 k = 0.7807 0.0007-0.3962 ( 6560 PWs) bands (ev): -9.2187 -9.2187 -7.9536 -7.9536 -7.0841 -7.0841 -7.0230 -7.0230 -6.7901 -6.7901 -6.7248 -6.7248 -4.5953 -4.5953 -2.9982 -2.9982 -2.4407 -2.4407 -2.3906 -2.3906 -2.3478 -2.3478 -2.0936 -2.0936 -1.8021 -1.8021 -1.7631 -1.7631 -1.7144 -1.7144 -1.6691 -1.6691 -1.6309 -1.6309 -1.2643 -1.2643 0.4215 0.4215 0.6467 0.6467 0.8663 0.8663 1.0308 1.0308 1.4043 1.4043 2.2379 2.2379 2.4713 2.4713 3.3154 3.3154 3.5310 3.5310 3.6814 3.6814 3.8336 3.8336 4.0288 4.0288 4.6399 4.6399 4.8150 4.8150 5.0095 5.0095 5.4505 5.4505 5.7967 5.7967 7.3861 7.3861 7.7178 7.7178 8.0158 8.0158 8.2282 8.2282 8.8563 8.8563 9.1773 9.1773 9.4397 9.4397 k = 0.7706 0.0090-0.3765 ( 6564 PWs) bands (ev): -9.2205 -9.2205 -7.9610 -7.9610 -7.0883 -7.0883 -7.0074 -7.0074 -6.7856 -6.7856 -6.7223 -6.7223 -4.6016 -4.6016 -2.9941 -2.9941 -2.4405 -2.4405 -2.3930 -2.3930 -2.3441 -2.3441 -2.0971 -2.0971 -1.8036 -1.8036 -1.7623 -1.7623 -1.7150 -1.7150 -1.6669 -1.6669 -1.6307 -1.6307 -1.2798 -1.2798 0.3892 0.3892 0.6367 0.6367 0.8835 0.8835 1.0155 1.0155 1.4776 1.4776 2.2387 2.2387 2.4765 2.4765 3.2968 3.2968 3.5503 3.5503 3.6875 3.6875 3.8145 3.8145 4.0130 4.0130 4.5985 4.5985 4.7972 4.7972 5.0263 5.0263 5.4516 5.4516 5.7641 5.7641 7.4206 7.4206 7.7236 7.7236 8.0407 8.0407 8.2731 8.2731 8.8630 8.8630 9.2035 9.2035 9.4707 9.4707 k = 0.7606 0.0174-0.3568 ( 6564 PWs) bands (ev): -9.2229 -9.2229 -7.9691 -7.9691 -7.0905 -7.0905 -6.9916 -6.9916 -6.7803 -6.7803 -6.7196 -6.7196 -4.6097 -4.6097 -2.9890 -2.9890 -2.4402 -2.4402 -2.3950 -2.3950 -2.3407 -2.3407 -2.1011 -2.1011 -1.8054 -1.8054 -1.7615 -1.7615 -1.7153 -1.7153 -1.6651 -1.6651 -1.6304 -1.6304 -1.2971 -1.2971 0.3559 0.3559 0.6284 0.6284 0.8946 0.8946 1.0057 1.0057 1.5525 1.5525 2.2387 2.2387 2.4833 2.4833 3.2814 3.2814 3.5652 3.5652 3.6933 3.6933 3.7981 3.7981 3.9967 3.9967 4.5563 4.5563 4.7800 4.7800 5.0436 5.0436 5.4506 5.4506 5.7282 5.7282 7.4580 7.4580 7.7284 7.7284 8.0701 8.0701 8.3217 8.3217 8.8767 8.8767 9.2265 9.2265 9.5038 9.5038 k = 0.7506 0.0257-0.3371 ( 6562 PWs) bands (ev): -9.2260 -9.2260 -7.9778 -7.9778 -7.0905 -7.0905 -6.9757 -6.9757 -6.7740 -6.7740 -6.7167 -6.7167 -4.6196 -4.6196 -2.9831 -2.9831 -2.4400 -2.4400 -2.3967 -2.3967 -2.3375 -2.3375 -2.1056 -2.1056 -1.8075 -1.8075 -1.7607 -1.7607 -1.7152 -1.7152 -1.6639 -1.6639 -1.6298 -1.6298 -1.3160 -1.3160 0.3223 0.3223 0.6220 0.6220 0.8988 0.8988 1.0019 1.0019 1.6267 1.6267 2.2382 2.2382 2.4918 2.4918 3.2700 3.2700 3.5737 3.5737 3.6976 3.6976 3.7858 3.7858 3.9821 3.9821 4.5149 4.5149 4.7641 4.7641 5.0602 5.0602 5.4470 5.4470 5.6901 5.6901 7.4969 7.4969 7.7335 7.7335 8.1027 8.1027 8.3721 8.3721 8.8971 8.8971 9.2460 9.2460 9.5389 9.5389 k = 0.7406 0.0340-0.3174 ( 6564 PWs) bands (ev): -9.2298 -9.2298 -7.9871 -7.9871 -7.0883 -7.0883 -6.9598 -6.9598 -6.7669 -6.7669 -6.7135 -6.7135 -4.6313 -4.6313 -2.9763 -2.9763 -2.4398 -2.4398 -2.3981 -2.3981 -2.3347 -2.3347 -2.1108 -2.1108 -1.8097 -1.8097 -1.7599 -1.7599 -1.7148 -1.7148 -1.6635 -1.6635 -1.6289 -1.6289 -1.3362 -1.3362 0.2887 0.2887 0.6175 0.6175 0.8976 0.8976 1.0028 1.0028 1.6975 1.6975 2.2386 2.2386 2.5021 2.5021 3.2632 3.2632 3.5746 3.5746 3.6975 3.6975 3.7787 3.7787 3.9720 3.9720 4.4756 4.4756 4.7503 4.7503 5.0756 5.0756 5.4399 5.4399 5.6516 5.6516 7.5353 7.5353 7.7404 7.7404 8.1377 8.1377 8.4222 8.4222 8.9241 8.9241 9.2619 9.2619 9.5757 9.5757 k = 0.7305 0.0424-0.2977 ( 6562 PWs) bands (ev): -9.2341 -9.2341 -7.9968 -7.9968 -7.0840 -7.0840 -6.9440 -6.9440 -6.7592 -6.7592 -6.7101 -6.7101 -4.6446 -4.6446 -2.9686 -2.9686 -2.4396 -2.4396 -2.3990 -2.3990 -2.3323 -2.3323 -2.1165 -2.1165 -1.8122 -1.8122 -1.7591 -1.7591 -1.7140 -1.7140 -1.6638 -1.6638 -1.6277 -1.6277 -1.3576 -1.3576 0.2555 0.2555 0.6150 0.6150 0.8934 0.8934 1.0057 1.0057 1.7605 1.7605 2.2429 2.2429 2.5141 2.5141 3.2608 3.2608 3.5683 3.5683 3.6907 3.6907 3.7766 3.7766 3.9695 3.9695 4.4399 4.4399 4.7389 4.7389 5.0891 5.0891 5.4281 5.4281 5.6150 5.6150 7.5712 7.5712 7.7507 7.7507 8.1739 8.1739 8.4701 8.4701 8.9566 8.9566 9.2744 9.2744 9.6139 9.6139 k = 0.7205 0.0507-0.2780 ( 6568 PWs) bands (ev): -9.2391 -9.2391 -8.0068 -8.0068 -7.0776 -7.0776 -6.9284 -6.9284 -6.7508 -6.7508 -6.7063 -6.7063 -4.6595 -4.6595 -2.9601 -2.9601 -2.4395 -2.4395 -2.3996 -2.3996 -2.3303 -2.3303 -2.1228 -2.1228 -1.8147 -1.8147 -1.7583 -1.7583 -1.7129 -1.7129 -1.6648 -1.6648 -1.6264 -1.6264 -1.3798 -1.3798 0.2229 0.2229 0.6145 0.6145 0.8885 0.8885 1.0086 1.0086 1.8101 1.8101 2.2561 2.2561 2.5272 2.5272 3.2622 3.2622 3.5556 3.5556 3.6780 3.6780 3.7761 3.7761 3.9773 3.9773 4.4091 4.4091 4.7304 4.7304 5.0999 5.0999 5.4100 5.4100 5.5828 5.5828 7.6021 7.6021 7.7660 7.7660 8.2105 8.2105 8.5142 8.5142 8.9934 8.9934 9.2844 9.2844 9.6529 9.6529 k = 0.7105 0.0591-0.2584 ( 6572 PWs) bands (ev): -9.2445 -9.2445 -8.0172 -8.0172 -7.0692 -7.0692 -6.9131 -6.9131 -6.7419 -6.7419 -6.7022 -6.7022 -4.6758 -4.6758 -2.9506 -2.9506 -2.4395 -2.4395 -2.3998 -2.3998 -2.3288 -2.3288 -2.1299 -2.1299 -1.8172 -1.8172 -1.7576 -1.7576 -1.7116 -1.7116 -1.6663 -1.6663 -1.6252 -1.6252 -1.4026 -1.4026 0.1912 0.1912 0.6160 0.6160 0.8843 0.8843 1.0103 1.0103 1.8401 1.8401 2.2842 2.2842 2.5403 2.5403 3.2660 3.2660 3.5385 3.5385 3.6615 3.6615 3.7743 3.7743 3.9960 3.9960 4.3842 4.3842 4.7251 4.7251 5.1071 5.1071 5.3851 5.3851 5.5569 5.5569 7.6268 7.6268 7.7868 7.7868 8.2466 8.2466 8.5532 8.5532 9.0318 9.0318 9.2937 9.2937 9.6922 9.6922 k = 0.7005 0.0674-0.2387 ( 6562 PWs) bands (ev): -9.2505 -9.2505 -8.0279 -8.0279 -7.0588 -7.0588 -6.8982 -6.8982 -6.7326 -6.7326 -6.6975 -6.6975 -4.6934 -4.6934 -2.9404 -2.9404 -2.4396 -2.4396 -2.3997 -2.3997 -2.3277 -2.3277 -2.1376 -2.1376 -1.8197 -1.8197 -1.7568 -1.7568 -1.7102 -1.7102 -1.6684 -1.6684 -1.6240 -1.6240 -1.4257 -1.4257 0.1605 0.1605 0.6197 0.6197 0.8815 0.8815 1.0104 1.0104 1.8480 1.8480 2.3298 2.3298 2.5516 2.5516 3.2710 3.2710 3.5188 3.5188 3.6435 3.6435 3.7705 3.7705 4.0244 4.0244 4.3664 4.3664 4.7233 4.7233 5.1094 5.1094 5.3548 5.3548 5.5377 5.5377 7.6454 7.6454 7.8118 7.8118 8.2816 8.2816 8.5862 8.5862 9.0674 9.0674 9.3060 9.3060 9.7314 9.7314 k = 0.6905 0.0758-0.2190 ( 6564 PWs) bands (ev): -9.2568 -9.2568 -8.0386 -8.0386 -7.0467 -7.0467 -6.8839 -6.8839 -6.7231 -6.7231 -6.6924 -6.6924 -4.7122 -4.7122 -2.9293 -2.9293 -2.4397 -2.4397 -2.3992 -2.3992 -2.3270 -2.3270 -2.1461 -2.1461 -1.8221 -1.8221 -1.7561 -1.7561 -1.7087 -1.7087 -1.6709 -1.6709 -1.6231 -1.6231 -1.4487 -1.4487 0.1310 0.1310 0.6255 0.6255 0.8804 0.8804 1.0089 1.0089 1.8365 1.8365 2.3907 2.3907 2.5592 2.5592 3.2756 3.2756 3.4982 3.4982 3.6262 3.6262 3.7647 3.7647 4.0603 4.0603 4.3564 4.3564 4.7250 4.7250 5.1052 5.1052 5.3221 5.3221 5.5241 5.5241 7.6594 7.6594 7.8381 7.8381 8.3148 8.3148 8.6127 8.6127 9.0946 9.0946 9.3261 9.3261 9.7698 9.7698 k = 0.6804 0.0841-0.1993 ( 6552 PWs) bands (ev): -9.2635 -9.2635 -8.0494 -8.0494 -7.0330 -7.0330 -6.8704 -6.8704 -6.7133 -6.7133 -6.6866 -6.6866 -4.7321 -4.7321 -2.9174 -2.9174 -2.4399 -2.4399 -2.3985 -2.3985 -2.3269 -2.3269 -2.1554 -2.1554 -1.8244 -1.8244 -1.7553 -1.7553 -1.7073 -1.7073 -1.6737 -1.6737 -1.6227 -1.6227 -1.4712 -1.4712 0.1027 0.1027 0.6334 0.6334 0.8812 0.8812 1.0059 1.0059 1.8109 1.8109 2.4615 2.4615 2.5614 2.5614 3.2790 3.2790 3.4775 3.4775 3.6119 3.6119 3.7575 3.7575 4.1019 4.1019 4.3549 4.3549 4.7304 4.7304 5.0930 5.0930 5.2908 5.2908 5.5151 5.5151 7.6705 7.6705 7.8629 7.8629 8.3456 8.3456 8.6323 8.6323 9.1091 9.1091 9.3580 9.3580 9.8067 9.8067 k = 0.6704 0.0925-0.1796 ( 6556 PWs) bands (ev): -9.2704 -9.2704 -8.0601 -8.0601 -7.0178 -7.0178 -6.8577 -6.8577 -6.7035 -6.7035 -6.6802 -6.6802 -4.7528 -4.7528 -2.9047 -2.9047 -2.4401 -2.4401 -2.3976 -2.3976 -2.3271 -2.3271 -2.1655 -2.1655 -1.8264 -1.8264 -1.7545 -1.7545 -1.7061 -1.7061 -1.6768 -1.6768 -1.6228 -1.6228 -1.4930 -1.4930 0.0758 0.0758 0.6433 0.6433 0.8839 0.8839 1.0020 1.0020 1.7759 1.7759 2.5318 2.5318 2.5621 2.5621 3.2816 3.2816 3.4566 3.4566 3.6026 3.6026 3.7491 3.7491 4.1475 4.1475 4.3623 4.3623 4.7395 4.7395 5.0716 5.0716 5.2632 5.2632 5.5096 5.5096 7.6799 7.6799 7.8835 7.8835 8.3734 8.3734 8.6449 8.6449 9.1114 9.1114 9.4007 9.4007 9.8412 9.8412 k = 0.6604 0.1008-0.1599 ( 6558 PWs) bands (ev): -9.2774 -9.2774 -8.0707 -8.0707 -7.0014 -7.0014 -6.8459 -6.8459 -6.6938 -6.6938 -6.6732 -6.6732 -4.7742 -4.7742 -2.8914 -2.8914 -2.4403 -2.4403 -2.3965 -2.3965 -2.3278 -2.3278 -2.1765 -2.1765 -1.8282 -1.8282 -1.7538 -1.7538 -1.7050 -1.7050 -1.6800 -1.6800 -1.6237 -1.6237 -1.5134 -1.5134 0.0502 0.0502 0.6551 0.6551 0.8882 0.8882 0.9976 0.9976 1.7352 1.7352 2.5336 2.5336 2.6246 2.6246 3.2845 3.2845 3.4348 3.4348 3.5990 3.5990 3.7397 3.7397 4.1952 4.1952 4.3793 4.3793 4.7521 4.7521 5.0417 5.0417 5.2401 5.2401 5.5075 5.5075 7.6879 7.6879 7.8982 7.8982 8.3978 8.3978 8.6505 8.6505 9.1055 9.1055 9.4504 9.4504 9.8722 9.8722 k = 0.6504 0.1091-0.1402 ( 6558 PWs) bands (ev): -9.2846 -9.2846 -8.0811 -8.0811 -6.9839 -6.9839 -6.8352 -6.8352 -6.6841 -6.6841 -6.6656 -6.6656 -4.7961 -4.7961 -2.8774 -2.8774 -2.4405 -2.4405 -2.3954 -2.3954 -2.3290 -2.3290 -2.1884 -2.1884 -1.8297 -1.8297 -1.7531 -1.7531 -1.7043 -1.7043 -1.6834 -1.6834 -1.6257 -1.6257 -1.5320 -1.5320 0.0261 0.0261 0.6689 0.6689 0.8939 0.8939 0.9933 0.9933 1.6911 1.6911 2.5081 2.5081 2.7052 2.7052 3.2891 3.2891 3.4118 3.4118 3.6006 3.6006 3.7300 3.7300 4.2435 4.2435 4.4058 4.4058 4.7680 4.7680 5.0057 5.0057 5.2207 5.2207 5.5083 5.5083 7.6947 7.6947 7.9057 7.9057 8.4181 8.4181 8.6490 8.6490 9.0955 9.0955 9.5030 9.5030 9.8986 9.8986 k = 0.6403 0.1175-0.1205 ( 6554 PWs) bands (ev): -9.2917 -9.2917 -8.0912 -8.0912 -6.9656 -6.9656 -6.8256 -6.8256 -6.6744 -6.6744 -6.6576 -6.6576 -4.8183 -4.8183 -2.8628 -2.8628 -2.4406 -2.4406 -2.3942 -2.3942 -2.3305 -2.3305 -2.2011 -2.2011 -1.8309 -1.8309 -1.7525 -1.7525 -1.7041 -1.7041 -1.6866 -1.6866 -1.6292 -1.6292 -1.5480 -1.5480 0.0034 0.0034 0.6842 0.6842 0.9002 0.9002 0.9903 0.9903 1.6453 1.6453 2.4717 2.4717 2.7860 2.7860 3.2956 3.2956 3.3885 3.3885 3.6055 3.6055 3.7210 3.7210 4.2910 4.2910 4.4411 4.4411 4.7865 4.7865 4.9665 4.9665 5.2043 5.2043 5.5120 5.5120 7.6998 7.6998 7.9051 7.9051 8.4341 8.4341 8.6407 8.6407 9.0843 9.0843 9.5556 9.5556 9.9186 9.9186 k = 0.6303 0.1258-0.1008 ( 6542 PWs) bands (ev): -9.2988 -9.2988 -8.1010 -8.1010 -6.9467 -6.9467 -6.8171 -6.8171 -6.6649 -6.6649 -6.6494 -6.6494 -4.8405 -4.8405 -2.8476 -2.8476 -2.4406 -2.4406 -2.3931 -2.3931 -2.3324 -2.3324 -2.2146 -2.2146 -1.8317 -1.8317 -1.7521 -1.7521 -1.7045 -1.7045 -1.6897 -1.6897 -1.6345 -1.6345 -1.5608 -1.5608 -0.0177 -0.0177 0.7011 0.7011 0.9060 0.9060 0.9898 0.9898 1.5992 1.5992 2.4265 2.4265 2.8651 2.8651 3.3027 3.3027 3.3663 3.3663 3.6120 3.6120 3.7138 3.7138 4.3371 4.3371 4.4829 4.4829 4.8059 4.8059 4.9273 4.9273 5.1911 5.1911 5.5181 5.5181 7.7026 7.7026 7.8961 7.8961 8.4456 8.4456 8.6261 8.6261 9.0736 9.0736 9.6060 9.6060 9.9307 9.9307 k = 0.6203 0.1342-0.0811 ( 6546 PWs) bands (ev): -9.3057 -9.3057 -8.1102 -8.1102 -6.9275 -6.9275 -6.8097 -6.8097 -6.6554 -6.6554 -6.6411 -6.6411 -4.8625 -4.8625 -2.8320 -2.8320 -2.4405 -2.4405 -2.3921 -2.3921 -2.3346 -2.3346 -2.2288 -2.2288 -1.8322 -1.8322 -1.7520 -1.7520 -1.7056 -1.7056 -1.6923 -1.6923 -1.6416 -1.6416 -1.5701 -1.5701 -0.0374 -0.0374 0.7191 0.7191 0.9100 0.9100 0.9933 0.9933 1.5537 1.5537 2.3740 2.3740 2.9414 2.9414 3.3060 3.3060 3.3491 3.3491 3.6187 3.6187 3.7098 3.7098 4.3819 4.3819 4.5274 4.5274 4.8209 4.8209 4.8943 4.8943 5.1831 5.1831 5.5264 5.5264 7.7024 7.7024 7.8788 7.8788 8.4526 8.4526 8.6061 8.6061 9.0642 9.0642 9.6530 9.6530 9.9341 9.9341 k = 0.6103 0.1425-0.0614 ( 6542 PWs) bands (ev): -9.3123 -9.3123 -8.1190 -8.1190 -6.9083 -6.9083 -6.8033 -6.8033 -6.6461 -6.6461 -6.6330 -6.6330 -4.8842 -4.8842 -2.8161 -2.8161 -2.4403 -2.4403 -2.3913 -2.3913 -2.3373 -2.3373 -2.2435 -2.2435 -1.8322 -1.8322 -1.7524 -1.7524 -1.7077 -1.7077 -1.6945 -1.6945 -1.6499 -1.6499 -1.5764 -1.5764 -0.0556 -0.0556 0.7380 0.7380 0.9113 0.9113 1.0020 1.0020 1.5097 1.5097 2.3163 2.3163 3.0139 3.0139 3.2981 3.2981 3.3432 3.3432 3.6256 3.6256 3.7099 3.7099 4.4250 4.4250 4.5700 4.5700 4.8147 4.8147 4.8844 4.8844 5.1833 5.1833 5.5364 5.5364 7.6982 7.6982 7.8538 7.8538 8.4556 8.4556 8.5821 8.5821 9.0560 9.0560 9.6957 9.6957 9.9313 9.9313 k = 0.6002 0.1509-0.0417 ( 6542 PWs) bands (ev): -9.3187 -9.3187 -8.1273 -8.1273 -6.8894 -6.8894 -6.7979 -6.7979 -6.6371 -6.6371 -6.6251 -6.6251 -4.9052 -4.9052 -2.8000 -2.8000 -2.4399 -2.4399 -2.3907 -2.3907 -2.3403 -2.3403 -2.2585 -2.2585 -1.8319 -1.8319 -1.7534 -1.7534 -1.7103 -1.7103 -1.6963 -1.6963 -1.6586 -1.6586 -1.5803 -1.5803 -0.0722 -0.0722 0.7574 0.7574 0.9101 0.9101 1.0158 1.0158 1.4677 1.4677 2.2550 2.2550 3.0812 3.0812 3.2823 3.2823 3.3448 3.3448 3.6338 3.6338 3.7142 3.7142 4.4649 4.4649 4.6060 4.6060 4.7889 4.7889 4.8971 4.8971 5.1954 5.1954 5.5478 5.5478 7.6892 7.6892 7.8219 7.8219 8.4552 8.4552 8.5556 8.5556 9.0485 9.0485 9.7334 9.7334 9.9265 9.9265 k = 0.5902 0.1592-0.0220 ( 6540 PWs) bands (ev): -9.3246 -9.3246 -8.1349 -8.1349 -6.8710 -6.8710 -6.7932 -6.7932 -6.6284 -6.6284 -6.6177 -6.6177 -4.9253 -4.9253 -2.7837 -2.7837 -2.4394 -2.4394 -2.3904 -2.3904 -2.3438 -2.3438 -2.2733 -2.2733 -1.8312 -1.8312 -1.7553 -1.7553 -1.7130 -1.7130 -1.6980 -1.6980 -1.6666 -1.6666 -1.5825 -1.5825 -0.0873 -0.0873 0.7768 0.7768 0.9072 0.9072 1.0339 1.0339 1.4284 1.4284 2.1916 2.1916 3.1407 3.1407 3.2666 3.2666 3.3467 3.3467 3.6446 3.6446 3.7221 3.7221 4.4990 4.4990 4.6287 4.6287 4.7660 4.7660 4.9144 4.9144 5.2214 5.2214 5.5603 5.5603 7.6747 7.6747 7.7843 7.7843 8.4522 8.4522 8.5284 8.5284 9.0412 9.0412 9.7660 9.7660 9.9229 9.9229 k = 0.5802 0.1676-0.0023 ( 6534 PWs) bands (ev): -9.3301 -9.3301 -8.1418 -8.1418 -6.8535 -6.8535 -6.7893 -6.7893 -6.6202 -6.6202 -6.6107 -6.6107 -4.9442 -4.9442 -2.7675 -2.7675 -2.4388 -2.4388 -2.3906 -2.3906 -2.3480 -2.3480 -2.2875 -2.2875 -1.8300 -1.8300 -1.7583 -1.7583 -1.7155 -1.7155 -1.6997 -1.6997 -1.6736 -1.6736 -1.5836 -1.5836 -0.1009 -0.1009 0.7958 0.7958 0.9034 0.9034 1.0554 1.0554 1.3922 1.3922 2.1276 2.1276 3.1855 3.1855 3.2582 3.2582 3.3480 3.3480 3.6590 3.6590 3.7327 3.7327 4.5234 4.5234 4.6306 4.6306 4.7601 4.7601 4.9326 4.9326 5.2602 5.2602 5.5740 5.5740 7.6544 7.6544 7.7425 7.7425 8.4474 8.4474 8.5023 8.5023 9.0335 9.0335 9.7940 9.7940 9.9218 9.9218 k = 0.5702 0.1759 0.0173 ( 6540 PWs) bands (ev): -9.3351 -9.3351 -8.1480 -8.1480 -6.8371 -6.8371 -6.7861 -6.7861 -6.6128 -6.6128 -6.6044 -6.6044 -4.9617 -4.9617 -2.7517 -2.7517 -2.4380 -2.4380 -2.3913 -2.3913 -2.3531 -2.3531 -2.3002 -2.3002 -1.8285 -1.8285 -1.7624 -1.7624 -1.7174 -1.7174 -1.7015 -1.7015 -1.6793 -1.6793 -1.5841 -1.5841 -0.1129 -0.1129 0.8139 0.8139 0.8995 0.8995 1.0792 1.0792 1.3598 1.3598 2.0643 2.0643 3.2010 3.2010 3.2676 3.2676 3.3533 3.3533 3.6765 3.6765 3.7457 3.7457 4.5352 4.5352 4.6130 4.6130 4.7726 4.7726 4.9527 4.9527 5.3076 5.3076 5.5890 5.5890 7.6289 7.6289 7.6980 7.6980 8.4414 8.4414 8.4787 8.4787 9.0254 9.0254 9.8182 9.8182 9.9230 9.9230 k = 0.5601 0.1843 0.0370 ( 6538 PWs) bands (ev): -9.3395 -9.3395 -8.1535 -8.1535 -6.8222 -6.8222 -6.7834 -6.7834 -6.6061 -6.6061 -6.5987 -6.5987 -4.9775 -4.9775 -2.7364 -2.7364 -2.4371 -2.4371 -2.3928 -2.3928 -2.3592 -2.3592 -2.3108 -2.3108 -1.8267 -1.8267 -1.7673 -1.7673 -1.7186 -1.7186 -1.7034 -1.7034 -1.6839 -1.6839 -1.5842 -1.5842 -0.1234 -0.1234 0.8305 0.8305 0.8957 0.8957 1.1045 1.1045 1.3317 1.3317 2.0031 2.0031 3.1954 3.1954 3.2797 3.2797 3.3700 3.3700 3.6960 3.6960 3.7606 3.7606 4.5341 4.5341 4.5874 4.5874 4.7937 4.7937 4.9759 4.9759 5.3580 5.3580 5.6058 5.6058 7.5993 7.5993 7.6527 7.6527 8.4349 8.4349 8.4584 8.4584 9.0170 9.0170 9.8398 9.8398 9.9256 9.9256 k = 0.5501 0.1926 0.0567 ( 6544 PWs) bands (ev): -9.3433 -9.3433 -8.1582 -8.1582 -6.8090 -6.8090 -6.7812 -6.7812 -6.6004 -6.6004 -6.5938 -6.5938 -4.9913 -4.9913 -2.7220 -2.7220 -2.4359 -2.4359 -2.3955 -2.3955 -2.3659 -2.3659 -2.3188 -2.3188 -1.8245 -1.8245 -1.7727 -1.7727 -1.7190 -1.7190 -1.7054 -1.7054 -1.6874 -1.6874 -1.5840 -1.5840 -0.1323 -0.1323 0.8452 0.8452 0.8925 0.8925 1.1298 1.1298 1.3085 1.3085 1.9453 1.9453 3.1857 3.1857 3.2802 3.2802 3.3963 3.3963 3.7163 3.7163 3.7770 3.7770 4.5221 4.5221 4.5615 4.5615 4.8160 4.8160 5.0018 5.0018 5.4058 5.4058 5.6250 5.6250 7.5676 7.5676 7.6084 7.6084 8.4284 8.4284 8.4420 8.4420 9.0088 9.0088 9.8598 9.8598 9.9287 9.9287 k = 0.5401 0.2009 0.0764 ( 6542 PWs) bands (ev): -9.3465 -9.3465 -8.1620 -8.1620 -6.7978 -6.7978 -6.7795 -6.7795 -6.5957 -6.5957 -6.5895 -6.5895 -5.0030 -5.0030 -2.7090 -2.7090 -2.4346 -2.4346 -2.3999 -2.3999 -2.3720 -2.3720 -2.3244 -2.3244 -1.8221 -1.8221 -1.7782 -1.7782 -1.7189 -1.7189 -1.7074 -1.7074 -1.6900 -1.6900 -1.5836 -1.5836 -0.1396 -0.1396 0.8575 0.8575 0.8901 0.8901 1.1532 1.1532 1.2914 1.2914 1.8927 1.8927 3.1765 3.1765 3.2747 3.2747 3.4231 3.4231 3.7358 3.7358 3.7938 3.7938 4.5034 4.5034 4.5386 4.5386 4.8358 4.8358 5.0285 5.0285 5.4460 5.4460 5.6470 5.6470 7.5363 7.5363 7.5675 7.5675 8.4216 8.4216 8.4302 8.4302 9.0011 9.0011 9.8787 9.8787 9.9315 9.9315 k = 0.5301 0.2093 0.0961 ( 6546 PWs) bands (ev): -9.3490 -9.3490 -8.1651 -8.1651 -6.7889 -6.7889 -6.7781 -6.7781 -6.5921 -6.5921 -6.5861 -6.5861 -5.0123 -5.0123 -2.6979 -2.6979 -2.4331 -2.4331 -2.4060 -2.4060 -2.3764 -2.3764 -2.3281 -2.3281 -1.8195 -1.8195 -1.7833 -1.7833 -1.7184 -1.7184 -1.7093 -1.7093 -1.6920 -1.6920 -1.5833 -1.5833 -0.1453 -0.1453 0.8669 0.8669 0.8887 0.8887 1.1719 1.1719 1.2814 1.2814 1.8473 1.8473 3.1689 3.1689 3.2679 3.2679 3.4454 3.4454 3.7533 3.7533 3.8098 3.8098 4.4834 4.4834 4.5193 4.5193 4.8516 4.8516 5.0534 5.0534 5.4760 5.4760 5.6704 5.6704 7.5076 7.5076 7.5326 7.5326 8.4144 8.4144 8.4232 8.4232 8.9946 8.9946 9.8959 9.8959 9.9343 9.9343 k = 0.5200 0.2176 0.1158 ( 6546 PWs) bands (ev): -9.3508 -9.3508 -8.1672 -8.1672 -6.7825 -6.7825 -6.7770 -6.7770 -6.5895 -6.5895 -6.5836 -6.5836 -5.0191 -5.0191 -2.6894 -2.6894 -2.4310 -2.4310 -2.4127 -2.4127 -2.3791 -2.3791 -2.3304 -2.3304 -1.8170 -1.8170 -1.7878 -1.7878 -1.7176 -1.7176 -1.7111 -1.7111 -1.6933 -1.6933 -1.5830 -1.5830 -0.1494 -0.1494 0.8728 0.8728 0.8887 0.8887 1.1838 1.1838 1.2787 1.2787 1.8116 1.8116 3.1633 3.1633 3.2620 3.2620 3.4616 3.4616 3.7672 3.7672 3.8231 3.8231 4.4663 4.4663 4.5043 4.5043 4.8629 4.8629 5.0735 5.0735 5.4957 5.4957 5.6919 5.6919 7.4840 7.4840 7.5064 7.5064 8.4083 8.4083 8.4193 8.4193 8.9895 8.9895 9.9100 9.9100 9.9376 9.9376 k = 0.5100 0.2260 0.1355 ( 6544 PWs) bands (ev): -9.3519 -9.3519 -8.1685 -8.1685 -6.7791 -6.7791 -6.7759 -6.7759 -6.5879 -6.5879 -6.5820 -6.5820 -5.0232 -5.0232 -2.6840 -2.6840 -2.4284 -2.4284 -2.4189 -2.4189 -2.3804 -2.3804 -2.3316 -2.3316 -1.8150 -1.8150 -1.7910 -1.7910 -1.7166 -1.7166 -1.7126 -1.7126 -1.6941 -1.6941 -1.5828 -1.5828 -0.1519 -0.1519 0.8755 0.8755 0.8897 0.8897 1.1892 1.1892 1.2804 1.2804 1.7886 1.7886 3.1599 3.1599 3.2581 3.2581 3.4713 3.4713 3.7762 3.7762 3.8320 3.8320 4.4549 4.4549 4.4946 4.4946 4.8696 4.8696 5.0866 5.0866 5.5065 5.5065 5.7070 5.7070 7.4682 7.4682 7.4904 7.4904 8.4045 8.4045 8.4172 8.4172 8.9864 8.9864 9.9187 9.9187 9.9424 9.9424 k = 0.5000 0.2343 0.1552 ( 6534 PWs) bands (ev): -9.3522 -9.3522 -8.1690 -8.1690 -6.7782 -6.7782 -6.7753 -6.7753 -6.5874 -6.5874 -6.5815 -6.5815 -5.0246 -5.0246 -2.6821 -2.6821 -2.4259 -2.4259 -2.4227 -2.4227 -2.3809 -2.3809 -2.3320 -2.3320 -1.8142 -1.8142 -1.7923 -1.7923 -1.7160 -1.7160 -1.7133 -1.7133 -1.6944 -1.6944 -1.5827 -1.5827 -0.1527 -0.1527 0.8761 0.8761 0.8902 0.8902 1.1905 1.1905 1.2817 1.2817 1.7806 1.7806 3.1587 3.1587 3.2567 3.2567 3.4746 3.4746 3.7794 3.7794 3.8351 3.8351 4.4509 4.4509 4.4912 4.4912 4.8718 4.8718 5.0912 5.0912 5.5099 5.5099 5.7124 5.7124 7.4626 7.4626 7.4850 7.4850 8.4032 8.4032 8.4165 8.4165 8.9853 8.9853 9.9213 9.9213 9.9454 9.9454 k = 0.5000 0.2343 0.1552 ( 6534 PWs) bands (ev): -9.3522 -9.3522 -8.1690 -8.1690 -6.7782 -6.7782 -6.7753 -6.7753 -6.5874 -6.5874 -6.5815 -6.5815 -5.0246 -5.0246 -2.6821 -2.6821 -2.4259 -2.4259 -2.4227 -2.4227 -2.3809 -2.3809 -2.3320 -2.3320 -1.8142 -1.8142 -1.7923 -1.7923 -1.7160 -1.7160 -1.7133 -1.7133 -1.6944 -1.6944 -1.5827 -1.5827 -0.1527 -0.1527 0.8761 0.8761 0.8902 0.8902 1.1905 1.1905 1.2817 1.2817 1.7806 1.7806 3.1587 3.1587 3.2567 3.2567 3.4746 3.4746 3.7794 3.7794 3.8351 3.8351 4.4509 4.4509 4.4912 4.4912 4.8718 4.8718 5.0912 5.0912 5.5099 5.5099 5.7124 5.7124 7.4626 7.4626 7.4850 7.4850 8.4032 8.4032 8.4165 8.4165 8.9853 8.9853 9.9213 9.9213 9.9454 9.9454 k = 0.4792 0.2246 0.1487 ( 6537 PWs) bands (ev): -9.3526 -9.3526 -8.1682 -8.1682 -6.7782 -6.7782 -6.7753 -6.7753 -6.5874 -6.5874 -6.5815 -6.5815 -5.0253 -5.0253 -2.6818 -2.6818 -2.4259 -2.4259 -2.4227 -2.4227 -2.3809 -2.3809 -2.3320 -2.3320 -1.8142 -1.8142 -1.7923 -1.7923 -1.7160 -1.7160 -1.7133 -1.7133 -1.6944 -1.6944 -1.5827 -1.5827 -0.1531 -0.1531 0.8749 0.8749 0.8891 0.8891 1.1914 1.1914 1.2825 1.2825 1.7810 1.7810 3.1440 3.1440 3.2625 3.2625 3.4851 3.4851 3.7780 3.7780 3.8334 3.8334 4.4541 4.4541 4.4940 4.4940 4.8720 4.8720 5.0912 5.0912 5.5105 5.5105 5.7128 5.7128 7.4553 7.4553 7.4912 7.4912 8.4014 8.4014 8.4148 8.4148 8.9875 8.9875 9.9213 9.9213 9.9454 9.9454 k = 0.4583 0.2148 0.1423 ( 6537 PWs) bands (ev): -9.3537 -9.3537 -8.1660 -8.1660 -6.7781 -6.7781 -6.7752 -6.7752 -6.5875 -6.5875 -6.5816 -6.5816 -5.0275 -5.0275 -2.6808 -2.6808 -2.4258 -2.4258 -2.4227 -2.4227 -2.3808 -2.3808 -2.3320 -2.3320 -1.8141 -1.8141 -1.7923 -1.7923 -1.7160 -1.7160 -1.7133 -1.7133 -1.6944 -1.6944 -1.5827 -1.5827 -0.1541 -0.1541 0.8713 0.8713 0.8859 0.8859 1.1939 1.1939 1.2847 1.2847 1.7823 1.7823 3.1106 3.1106 3.2710 3.2710 3.5150 3.5150 3.7739 3.7739 3.8286 3.8286 4.4636 4.4636 4.5022 4.5022 4.8725 4.8725 5.0913 5.0913 5.5122 5.5122 5.7138 5.7138 7.4414 7.4414 7.5019 7.5019 8.3962 8.3962 8.4096 8.4096 8.9940 8.9940 9.9214 9.9214 9.9436 9.9436 k = 0.4375 0.2050 0.1358 ( 6525 PWs) bands (ev): -9.3555 -9.3555 -8.1622 -8.1622 -6.7781 -6.7781 -6.7751 -6.7751 -6.5875 -6.5875 -6.5816 -6.5816 -5.0312 -5.0312 -2.6791 -2.6791 -2.4257 -2.4257 -2.4227 -2.4227 -2.3808 -2.3808 -2.3319 -2.3319 -1.8139 -1.8139 -1.7923 -1.7923 -1.7159 -1.7159 -1.7133 -1.7133 -1.6945 -1.6945 -1.5827 -1.5827 -0.1559 -0.1559 0.8655 0.8655 0.8808 0.8808 1.1978 1.1978 1.2881 1.2881 1.7844 1.7844 3.0705 3.0705 3.2742 3.2742 3.5599 3.5599 3.7676 3.7676 3.8211 3.8211 4.4786 4.4786 4.5154 4.5154 4.8733 4.8733 5.0916 5.0916 5.5151 5.5151 5.7156 5.7156 7.4252 7.4252 7.5128 7.5128 8.3877 8.3877 8.4012 8.4012 9.0048 9.0048 9.9046 9.9046 9.9216 9.9216 k = 0.4167 0.1953 0.1293 ( 6513 PWs) bands (ev): -9.3579 -9.3579 -8.1571 -8.1571 -6.7780 -6.7780 -6.7750 -6.7750 -6.5876 -6.5876 -6.5817 -6.5817 -5.0363 -5.0363 -2.6768 -2.6768 -2.4256 -2.4256 -2.4227 -2.4227 -2.3808 -2.3808 -2.3319 -2.3319 -1.8138 -1.8138 -1.7924 -1.7924 -1.7158 -1.7158 -1.7132 -1.7132 -1.6946 -1.6946 -1.5827 -1.5827 -0.1584 -0.1584 0.8580 0.8580 0.8740 0.8740 1.2028 1.2028 1.2925 1.2925 1.7873 1.7873 3.0291 3.0291 3.2719 3.2719 3.6147 3.6147 3.7599 3.7599 3.8118 3.8118 4.4983 4.4983 4.5327 4.5327 4.8746 4.8746 5.0919 5.0919 5.5191 5.5191 5.7179 5.7179 7.4073 7.4073 7.5229 7.5229 8.3761 8.3761 8.3897 8.3897 9.0199 9.0199 9.8565 9.8565 9.9217 9.9217 k = 0.3958 0.1855 0.1229 ( 6526 PWs) bands (ev): -9.3610 -9.3610 -8.1507 -8.1507 -6.7778 -6.7778 -6.7749 -6.7749 -6.5876 -6.5876 -6.5817 -6.5817 -5.0426 -5.0426 -2.6740 -2.6740 -2.4254 -2.4254 -2.4227 -2.4227 -2.3807 -2.3807 -2.3318 -2.3318 -1.8135 -1.8135 -1.7925 -1.7925 -1.7157 -1.7157 -1.7131 -1.7131 -1.6947 -1.6947 -1.5827 -1.5827 -0.1616 -0.1616 0.8491 0.8491 0.8658 0.8658 1.2084 1.2084 1.2975 1.2975 1.7909 1.7909 2.9887 2.9887 3.2654 3.2654 3.6746 3.6746 3.7525 3.7525 3.8016 3.8016 4.5217 4.5217 4.5534 4.5534 4.8762 4.8762 5.0923 5.0923 5.5241 5.5241 5.7209 5.7209 7.3877 7.3877 7.5322 7.5322 8.3617 8.3617 8.3755 8.3755 9.0393 9.0393 9.8044 9.8044 9.9218 9.9218 k = 0.3750 0.1757 0.1164 ( 6526 PWs) bands (ev): -9.3646 -9.3646 -8.1432 -8.1432 -6.7777 -6.7777 -6.7747 -6.7747 -6.5877 -6.5877 -6.5818 -6.5818 -5.0501 -5.0501 -2.6706 -2.6706 -2.4252 -2.4252 -2.4227 -2.4227 -2.3806 -2.3806 -2.3317 -2.3317 -1.8133 -1.8133 -1.7926 -1.7926 -1.7155 -1.7155 -1.7130 -1.7130 -1.6948 -1.6948 -1.5826 -1.5826 -0.1654 -0.1654 0.8392 0.8392 0.8567 0.8567 1.2142 1.2142 1.3028 1.3028 1.7950 1.7950 2.9505 2.9505 3.2557 3.2557 3.7241 3.7241 3.7593 3.7593 3.7912 3.7912 4.5477 4.5477 4.5764 4.5764 4.8785 4.8785 5.0928 5.0928 5.5298 5.5298 5.7244 5.7244 7.3665 7.3665 7.5404 7.5404 8.3449 8.3449 8.3589 8.3589 9.0628 9.0628 9.7512 9.7512 9.9218 9.9218 k = 0.3542 0.1660 0.1099 ( 6538 PWs) bands (ev): -9.3686 -9.3686 -8.1345 -8.1345 -6.7775 -6.7775 -6.7745 -6.7745 -6.5878 -6.5878 -6.5819 -6.5819 -5.0587 -5.0587 -2.6667 -2.6667 -2.4249 -2.4249 -2.4228 -2.4228 -2.3806 -2.3806 -2.3316 -2.3316 -1.8130 -1.8130 -1.7927 -1.7927 -1.7154 -1.7154 -1.7129 -1.7129 -1.6950 -1.6950 -1.5826 -1.5826 -0.1699 -0.1699 0.8287 0.8287 0.8469 0.8469 1.2199 1.2199 1.3081 1.3081 1.7995 1.7995 2.9150 2.9150 3.2440 3.2440 3.7260 3.7260 3.7813 3.7813 3.8164 3.8164 4.5752 4.5752 4.6008 4.6008 4.8815 4.8815 5.0935 5.0935 5.5363 5.5363 5.7283 5.7283 7.3436 7.3436 7.5474 7.5474 8.3263 8.3263 8.3406 8.3406 9.0901 9.0901 9.6995 9.6995 9.9216 9.9216 k = 0.3333 0.1562 0.1035 ( 6523 PWs) bands (ev): -9.3730 -9.3730 -8.1250 -8.1250 -6.7773 -6.7773 -6.7743 -6.7743 -6.5879 -6.5879 -6.5821 -6.5821 -5.0683 -5.0683 -2.6624 -2.6624 -2.4246 -2.4246 -2.4228 -2.4228 -2.3805 -2.3805 -2.3315 -2.3315 -1.8126 -1.8126 -1.7928 -1.7928 -1.7152 -1.7152 -1.7128 -1.7128 -1.6951 -1.6951 -1.5825 -1.5825 -0.1748 -0.1748 0.8179 0.8179 0.8367 0.8367 1.2252 1.2252 1.3130 1.3130 1.8045 1.8045 2.8826 2.8826 3.2308 3.2308 3.7191 3.7191 3.7727 3.7727 3.8843 3.8843 4.6035 4.6035 4.6257 4.6257 4.8855 4.8855 5.0946 5.0946 5.5432 5.5432 5.7325 5.7325 7.3191 7.3191 7.5532 7.5532 8.3064 8.3064 8.3210 8.3210 9.1206 9.1206 9.6512 9.6512 9.9211 9.9211 k = 0.3125 0.1465 0.0970 ( 6547 PWs) bands (ev): -9.3777 -9.3777 -8.1148 -8.1148 -6.7771 -6.7771 -6.7741 -6.7741 -6.5881 -6.5881 -6.5822 -6.5822 -5.0785 -5.0785 -2.6577 -2.6577 -2.4243 -2.4243 -2.4228 -2.4228 -2.3804 -2.3804 -2.3314 -2.3314 -1.8122 -1.8122 -1.7930 -1.7930 -1.7150 -1.7150 -1.7127 -1.7127 -1.6953 -1.6953 -1.5825 -1.5825 -0.1803 -0.1803 0.8071 0.8071 0.8263 0.8263 1.2297 1.2297 1.3174 1.3174 1.8096 1.8096 2.8533 2.8533 3.2168 3.2168 3.7125 3.7125 3.7656 3.7656 3.9535 3.9535 4.6316 4.6316 4.6500 4.6500 4.8909 4.8909 5.0960 5.0960 5.5503 5.5503 5.7367 5.7367 7.2931 7.2931 7.5577 7.5577 8.2858 8.2858 8.3008 8.3008 9.1534 9.1534 9.6082 9.6082 9.9202 9.9202 k = 0.2917 0.1367 0.0905 ( 6553 PWs) bands (ev): -9.3826 -9.3826 -8.1040 -8.1040 -6.7769 -6.7769 -6.7739 -6.7739 -6.5882 -6.5882 -6.5823 -6.5823 -5.0894 -5.0894 -2.6527 -2.6527 -2.4239 -2.4239 -2.4228 -2.4228 -2.3804 -2.3804 -2.3313 -2.3313 -1.8118 -1.8118 -1.7931 -1.7931 -1.7148 -1.7148 -1.7126 -1.7126 -1.6955 -1.6955 -1.5824 -1.5824 -0.1863 -0.1863 0.7967 0.7967 0.8162 0.8162 1.2333 1.2333 1.3210 1.3210 1.8149 1.8149 2.8270 2.8270 3.2025 3.2025 3.7073 3.7073 3.7605 3.7605 4.0223 4.0223 4.6588 4.6588 4.6730 4.6730 4.8982 4.8982 5.0980 5.0980 5.5571 5.5571 5.7409 5.7409 7.2658 7.2658 7.5608 7.5608 8.2651 8.2651 8.2805 8.2805 9.1868 9.1868 9.5727 9.5727 9.9187 9.9187 k = 0.2708 0.1269 0.0841 ( 6562 PWs) bands (ev): -9.3876 -9.3876 -8.0928 -8.0928 -6.7766 -6.7766 -6.7736 -6.7736 -6.5883 -6.5883 -6.5825 -6.5825 -5.1007 -5.1007 -2.6476 -2.6476 -2.4236 -2.4236 -2.4229 -2.4229 -2.3803 -2.3803 -2.3311 -2.3311 -1.8114 -1.8114 -1.7933 -1.7933 -1.7146 -1.7146 -1.7124 -1.7124 -1.6957 -1.6957 -1.5823 -1.5823 -0.1925 -0.1925 0.7866 0.7866 0.8063 0.8063 1.2360 1.2360 1.3237 1.3237 1.8203 1.8203 2.8035 2.8035 3.1885 3.1885 3.7037 3.7037 3.7574 3.7574 4.0898 4.0898 4.6845 4.6845 4.6937 4.6937 4.9079 4.9079 5.1007 5.1007 5.5635 5.5635 5.7446 5.7446 7.2375 7.2375 7.5627 7.5627 8.2448 8.2448 8.2606 8.2606 9.2183 9.2183 9.5472 9.5472 9.9164 9.9164 k = 0.2500 0.1172 0.0776 ( 6550 PWs) bands (ev): -9.3927 -9.3927 -8.0815 -8.0815 -6.7764 -6.7764 -6.7734 -6.7734 -6.5885 -6.5885 -6.5826 -6.5826 -5.1123 -5.1123 -2.6423 -2.6423 -2.4232 -2.4232 -2.4229 -2.4229 -2.3803 -2.3803 -2.3310 -2.3310 -1.8109 -1.8109 -1.7934 -1.7934 -1.7145 -1.7145 -1.7123 -1.7123 -1.6959 -1.6959 -1.5823 -1.5823 -0.1991 -0.1991 0.7772 0.7772 0.7970 0.7970 1.2376 1.2376 1.3255 1.3255 1.8256 1.8256 2.7825 2.7825 3.1753 3.1753 3.7018 3.7018 3.7564 3.7564 4.1551 4.1551 4.7080 4.7080 4.7116 4.7116 4.9204 4.9204 5.1045 5.1045 5.5689 5.5689 5.7478 5.7478 7.2087 7.2087 7.5633 7.5633 8.2256 8.2256 8.2418 8.2418 9.2443 9.2443 9.5351 9.5351 9.9134 9.9134 k = 0.2292 0.1074 0.0711 ( 6538 PWs) bands (ev): -9.3976 -9.3976 -8.0702 -8.0702 -6.7762 -6.7762 -6.7731 -6.7731 -6.5886 -6.5886 -6.5828 -6.5828 -5.1238 -5.1238 -2.6370 -2.6370 -2.4229 -2.4229 -2.4228 -2.4228 -2.3803 -2.3803 -2.3309 -2.3309 -1.8105 -1.8105 -1.7936 -1.7936 -1.7143 -1.7143 -1.7122 -1.7122 -1.6961 -1.6961 -1.5822 -1.5822 -0.2057 -0.2057 0.7684 0.7684 0.7882 0.7882 1.2383 1.2383 1.3264 1.3264 1.8309 1.8309 2.7637 2.7637 3.1632 3.1632 3.7018 3.7018 3.7573 3.7573 4.2174 4.2174 4.7264 4.7264 4.7290 4.7290 4.9358 4.9358 5.1094 5.1094 5.5731 5.5731 5.7502 5.7502 7.1797 7.1797 7.5628 7.5628 8.2079 8.2079 8.2246 8.2246 9.2612 9.2612 9.5395 9.5395 9.9094 9.9094 k = 0.2083 0.0976 0.0647 ( 6532 PWs) bands (ev): -9.4024 -9.4024 -8.0591 -8.0591 -6.7759 -6.7759 -6.7729 -6.7729 -6.5887 -6.5887 -6.5829 -6.5829 -5.1352 -5.1352 -2.6318 -2.6318 -2.4229 -2.4229 -2.4224 -2.4224 -2.3802 -2.3802 -2.3308 -2.3308 -1.8100 -1.8100 -1.7937 -1.7937 -1.7141 -1.7141 -1.7121 -1.7121 -1.6963 -1.6963 -1.5821 -1.5821 -0.2124 -0.2124 0.7605 0.7605 0.7801 0.7801 1.2380 1.2380 1.3265 1.3265 1.8361 1.8361 2.7467 2.7467 3.1526 3.1526 3.7033 3.7033 3.7601 3.7601 4.2759 4.2759 4.7383 4.7383 4.7471 4.7471 4.9540 4.9540 5.1156 5.1156 5.5757 5.5757 5.7516 5.7516 7.1511 7.1511 7.5612 7.5612 8.1922 8.1922 8.2092 8.2092 9.2679 9.2679 9.5606 9.5606 9.9044 9.9044 k = 0.1875 0.0879 0.0582 ( 6538 PWs) bands (ev): -9.4070 -9.4070 -8.0483 -8.0483 -6.7757 -6.7757 -6.7726 -6.7726 -6.5889 -6.5889 -6.5831 -6.5831 -5.1462 -5.1462 -2.6267 -2.6267 -2.4230 -2.4230 -2.4221 -2.4221 -2.3802 -2.3802 -2.3307 -2.3307 -1.8096 -1.8096 -1.7939 -1.7939 -1.7140 -1.7140 -1.7120 -1.7120 -1.6965 -1.6965 -1.5820 -1.5820 -0.2189 -0.2189 0.7533 0.7533 0.7728 0.7728 1.2370 1.2370 1.3258 1.3258 1.8411 1.8411 2.7313 2.7313 3.1437 3.1437 3.7062 3.7062 3.7644 3.7644 4.3299 4.3299 4.7478 4.7478 4.7621 4.7621 4.9744 4.9744 5.1231 5.1231 5.5766 5.5766 5.7519 5.7519 7.1235 7.1235 7.5588 7.5588 8.1787 8.1787 8.1960 8.1960 9.2671 9.2671 9.5947 9.5947 9.8986 9.8986 k = 0.1667 0.0781 0.0517 ( 6526 PWs) bands (ev): -9.4113 -9.4113 -8.0382 -8.0382 -6.7755 -6.7755 -6.7724 -6.7724 -6.5890 -6.5890 -6.5832 -6.5832 -5.1566 -5.1566 -2.6219 -2.6219 -2.4230 -2.4230 -2.4217 -2.4217 -2.3802 -2.3802 -2.3306 -2.3306 -1.8092 -1.8092 -1.7940 -1.7940 -1.7138 -1.7138 -1.7119 -1.7119 -1.6967 -1.6967 -1.5819 -1.5819 -0.2252 -0.2252 0.7470 0.7470 0.7663 0.7663 1.2354 1.2354 1.3245 1.3245 1.8459 1.8459 2.7173 2.7173 3.1365 3.1365 3.7102 3.7102 3.7698 3.7698 4.3785 4.3785 4.7556 4.7556 4.7741 4.7741 4.9962 4.9962 5.1319 5.1319 5.5756 5.5756 5.7510 5.7510 7.0973 7.0973 7.5557 7.5557 8.1675 8.1675 8.1850 8.1850 9.2623 9.2623 9.6368 9.6368 9.8919 9.8919 k = 0.1458 0.0683 0.0453 ( 6535 PWs) bands (ev): -9.4153 -9.4153 -8.0288 -8.0288 -6.7753 -6.7753 -6.7722 -6.7722 -6.5891 -6.5891 -6.5833 -6.5833 -5.1664 -5.1664 -2.6174 -2.6174 -2.4230 -2.4230 -2.4214 -2.4214 -2.3803 -2.3803 -2.3305 -2.3305 -1.8088 -1.8088 -1.7942 -1.7942 -1.7137 -1.7137 -1.7118 -1.7118 -1.6969 -1.6969 -1.5818 -1.5818 -0.2312 -0.2312 0.7415 0.7415 0.7605 0.7605 1.2333 1.2333 1.3228 1.3228 1.8504 1.8504 2.7045 2.7045 3.1311 3.1311 3.7149 3.7149 3.7760 3.7760 4.4213 4.4213 4.7625 4.7625 4.7832 4.7832 5.0187 5.0187 5.1415 5.1415 5.5729 5.5729 5.7491 5.7491 7.0732 7.0732 7.5521 7.5521 8.1587 8.1587 8.1763 8.1763 9.2565 9.2565 9.6825 9.6825 9.8847 9.8847 k = 0.1250 0.0586 0.0388 ( 6541 PWs) bands (ev): -9.4188 -9.4188 -8.0203 -8.0203 -6.7751 -6.7751 -6.7720 -6.7720 -6.5892 -6.5892 -6.5834 -6.5834 -5.1752 -5.1752 -2.6133 -2.6133 -2.4230 -2.4230 -2.4211 -2.4211 -2.3803 -2.3803 -2.3305 -2.3305 -1.8084 -1.8084 -1.7943 -1.7943 -1.7136 -1.7136 -1.7117 -1.7117 -1.6970 -1.6970 -1.5817 -1.5817 -0.2367 -0.2367 0.7369 0.7369 0.7556 0.7556 1.2309 1.2309 1.3208 1.3208 1.8546 1.8546 2.6930 2.6930 3.1274 3.1274 3.7201 3.7201 3.7826 3.7826 4.4576 4.4576 4.7689 4.7689 4.7898 4.7898 5.0409 5.0409 5.1516 5.1516 5.5686 5.5686 5.7462 5.7462 7.0516 7.0516 7.5483 7.5483 8.1521 8.1521 8.1698 8.1698 9.2512 9.2512 9.7286 9.7286 9.8772 9.8772 k = 0.1042 0.0488 0.0323 ( 6529 PWs) bands (ev): -9.4219 -9.4219 -8.0129 -8.0129 -6.7749 -6.7749 -6.7718 -6.7718 -6.5893 -6.5893 -6.5835 -6.5835 -5.1829 -5.1829 -2.6097 -2.6097 -2.4230 -2.4230 -2.4208 -2.4208 -2.3803 -2.3803 -2.3304 -2.3304 -1.8081 -1.8081 -1.7944 -1.7944 -1.7135 -1.7135 -1.7117 -1.7117 -1.6972 -1.6972 -1.5816 -1.5816 -0.2415 -0.2415 0.7331 0.7331 0.7515 0.7515 1.2285 1.2285 1.3188 1.3188 1.8583 1.8583 2.6828 2.6828 3.1249 3.1249 3.7252 3.7252 3.7891 3.7891 4.4874 4.4874 4.7753 4.7753 4.7944 4.7944 5.0620 5.0620 5.1617 5.1617 5.5631 5.5631 5.7428 5.7428 7.0328 7.0328 7.5445 7.5445 8.1474 8.1474 8.1651 8.1651 9.2471 9.2471 9.7725 9.7725 9.8699 9.8699 k = 0.0833 0.0391 0.0259 ( 6523 PWs) bands (ev): -9.4245 -9.4245 -8.0066 -8.0066 -6.7748 -6.7748 -6.7717 -6.7717 -6.5894 -6.5894 -6.5836 -6.5836 -5.1894 -5.1894 -2.6067 -2.6067 -2.4230 -2.4230 -2.4206 -2.4206 -2.3803 -2.3803 -2.3304 -2.3304 -1.8078 -1.8078 -1.7945 -1.7945 -1.7135 -1.7135 -1.7116 -1.7116 -1.6973 -1.6973 -1.5815 -1.5815 -0.2456 -0.2456 0.7300 0.7300 0.7482 0.7482 1.2263 1.2263 1.3169 1.3169 1.8616 1.8616 2.6741 2.6741 3.1235 3.1235 3.7300 3.7300 3.7951 3.7951 4.5106 4.5106 4.7815 4.7815 4.7973 4.7973 5.0812 5.0812 5.1712 5.1712 5.5571 5.5571 5.7391 5.7391 7.0171 7.0171 7.5410 7.5410 8.1443 8.1443 8.1620 8.1620 9.2443 9.2443 9.8121 9.8121 9.8630 9.8630 k = 0.0625 0.0293 0.0194 ( 6535 PWs) bands (ev): -9.4265 -9.4265 -8.0016 -8.0016 -6.7747 -6.7747 -6.7716 -6.7716 -6.5894 -6.5894 -6.5837 -6.5837 -5.1946 -5.1946 -2.6042 -2.6042 -2.4230 -2.4230 -2.4204 -2.4204 -2.3804 -2.3804 -2.3303 -2.3303 -1.8076 -1.8076 -1.7946 -1.7946 -1.7134 -1.7134 -1.7116 -1.7116 -1.6974 -1.6974 -1.5814 -1.5814 -0.2489 -0.2489 0.7277 0.7277 0.7456 0.7456 1.2243 1.2243 1.3152 1.3152 1.8642 1.8642 2.6671 2.6671 3.1228 3.1228 3.7342 3.7342 3.8003 3.8003 4.5277 4.5277 4.7873 4.7873 4.7990 4.7990 5.0973 5.0973 5.1793 5.1793 5.5512 5.5512 5.7356 5.7356 7.0048 7.0048 7.5379 7.5379 8.1425 8.1425 8.1600 8.1600 9.2426 9.2426 9.8457 9.8457 9.8571 9.8571 k = 0.0417 0.0195 0.0129 ( 6514 PWs) bands (ev): -9.4280 -9.4280 -7.9980 -7.9980 -6.7746 -6.7746 -6.7715 -6.7715 -6.5895 -6.5895 -6.5837 -6.5837 -5.1984 -5.1984 -2.6025 -2.6025 -2.4230 -2.4230 -2.4202 -2.4202 -2.3804 -2.3804 -2.3303 -2.3303 -1.8074 -1.8074 -1.7946 -1.7946 -1.7134 -1.7134 -1.7116 -1.7116 -1.6975 -1.6975 -1.5814 -1.5814 -0.2514 -0.2514 0.7260 0.7260 0.7438 0.7438 1.2228 1.2228 1.3139 1.3139 1.8662 1.8662 2.6619 2.6619 3.1226 3.1226 3.7373 3.7373 3.8042 3.8042 4.5394 4.5394 4.7920 4.7920 4.8000 4.8000 5.1097 5.1097 5.1856 5.1856 5.5462 5.5462 5.7327 5.7327 6.9959 6.9959 7.5356 7.5356 8.1415 8.1415 8.1589 8.1589 9.2419 9.2419 9.8526 9.8526 9.8719 9.8719 k = 0.0208 0.0098 0.0065 ( 6502 PWs) bands (ev): -9.4288 -9.4288 -7.9958 -7.9958 -6.7746 -6.7746 -6.7714 -6.7714 -6.5895 -6.5895 -6.5837 -6.5837 -5.2007 -5.2007 -2.6014 -2.6014 -2.4230 -2.4230 -2.4201 -2.4201 -2.3804 -2.3804 -2.3303 -2.3303 -1.8073 -1.8073 -1.7947 -1.7947 -1.7134 -1.7134 -1.7116 -1.7116 -1.6975 -1.6975 -1.5814 -1.5814 -0.2528 -0.2528 0.7250 0.7250 0.7427 0.7427 1.2219 1.2219 1.3131 1.3131 1.8674 1.8674 2.6587 2.6587 3.1225 3.1225 3.7393 3.7393 3.8067 3.8067 4.5460 4.5460 4.7951 4.7951 4.8004 4.8004 5.1175 5.1175 5.1896 5.1896 5.5429 5.5429 5.7308 5.7308 6.9905 6.9905 7.5341 7.5341 8.1410 8.1410 8.1584 8.1584 9.2415 9.2415 9.8498 9.8498 9.8795 9.8795 k = 0.0000 0.0000 0.0000 ( 6505 PWs) bands (ev): -9.4291 -9.4291 -7.9950 -7.9950 -6.7746 -6.7746 -6.7714 -6.7714 -6.5895 -6.5895 -6.5838 -6.5838 -5.2015 -5.2015 -2.6010 -2.6010 -2.4230 -2.4230 -2.4201 -2.4201 -2.3804 -2.3804 -2.3303 -2.3303 -1.8073 -1.8073 -1.7947 -1.7947 -1.7134 -1.7134 -1.7116 -1.7116 -1.6975 -1.6975 -1.5814 -1.5814 -0.2533 -0.2533 0.7247 0.7247 0.7423 0.7423 1.2216 1.2216 1.3128 1.3128 1.8678 1.8678 2.6576 2.6576 3.1225 3.1225 3.7400 3.7400 3.8075 3.8075 4.5482 4.5482 4.7962 4.7962 4.8006 4.8006 5.1202 5.1202 5.1909 5.1909 5.5417 5.5417 5.7301 5.7301 6.9887 6.9887 7.5336 7.5336 8.1408 8.1408 8.1583 8.1583 9.2415 9.2415 9.8488 9.8488 9.8787 9.8787 k = 0.0000 0.0000 0.0000 ( 6505 PWs) bands (ev): -9.4291 -9.4291 -7.9950 -7.9950 -6.7746 -6.7746 -6.7714 -6.7714 -6.5895 -6.5895 -6.5838 -6.5838 -5.2015 -5.2015 -2.6010 -2.6010 -2.4230 -2.4230 -2.4201 -2.4201 -2.3804 -2.3804 -2.3303 -2.3303 -1.8073 -1.8073 -1.7947 -1.7947 -1.7134 -1.7134 -1.7116 -1.7116 -1.6975 -1.6975 -1.5814 -1.5814 -0.2533 -0.2533 0.7247 0.7247 0.7423 0.7423 1.2216 1.2216 1.3128 1.3128 1.8678 1.8678 2.6576 2.6576 3.1225 3.1225 3.7400 3.7400 3.8075 3.8075 4.5482 4.5482 4.7962 4.7962 4.8006 4.8006 5.1202 5.1202 5.1909 5.1909 5.5417 5.5417 5.7301 5.7301 6.9887 6.9887 7.5336 7.5336 8.1408 8.1408 8.1583 8.1583 9.2415 9.2415 9.8488 9.8488 9.8787 9.8787 k = 0.0103-0.0086-0.0202 ( 6507 PWs) bands (ev): -9.4287 -9.4287 -7.9947 -7.9947 -6.7756 -6.7756 -6.7721 -6.7721 -6.5900 -6.5900 -6.5843 -6.5843 -5.1998 -5.1998 -2.6046 -2.6046 -2.4249 -2.4249 -2.4161 -2.4161 -2.3794 -2.3794 -2.3299 -2.3299 -1.8087 -1.8087 -1.7927 -1.7927 -1.7140 -1.7140 -1.7106 -1.7106 -1.6971 -1.6971 -1.5815 -1.5815 -0.2522 -0.2522 0.7243 0.7243 0.7421 0.7421 1.2200 1.2200 1.3113 1.3113 1.8762 1.8762 2.6575 2.6575 3.1246 3.1246 3.7376 3.7376 3.8051 3.8051 4.5473 4.5473 4.7937 4.7937 4.7995 4.7995 5.1182 5.1182 5.1841 5.1841 5.5413 5.5413 5.7269 5.7269 6.9999 6.9999 7.5382 7.5382 8.1409 8.1409 8.1580 8.1580 9.2418 9.2418 9.8443 9.8443 9.8732 9.8732 k = 0.0206-0.0171-0.0404 ( 6505 PWs) bands (ev): -9.4273 -9.4273 -7.9939 -7.9939 -6.7797 -6.7797 -6.7732 -6.7732 -6.5916 -6.5916 -6.5859 -6.5859 -5.1947 -5.1947 -2.6145 -2.6145 -2.4267 -2.4267 -2.4092 -2.4092 -2.3761 -2.3761 -2.3286 -2.3286 -1.8116 -1.8116 -1.7882 -1.7882 -1.7150 -1.7150 -1.7090 -1.7090 -1.6959 -1.6959 -1.5818 -1.5818 -0.2487 -0.2487 0.7223 0.7223 0.7419 0.7419 1.2136 1.2136 1.3094 1.3094 1.9005 1.9005 2.6569 2.6569 3.1309 3.1309 3.7302 3.7302 3.7982 3.7982 4.5439 4.5439 4.7836 4.7836 4.7986 4.7986 5.1115 5.1115 5.1674 5.1674 5.5391 5.5391 5.7180 5.7180 7.0324 7.0324 7.5516 7.5516 8.1410 8.1410 8.1574 8.1574 9.2426 9.2426 9.8283 9.8283 9.8710 9.8710 k = 0.0308-0.0257-0.0606 ( 6499 PWs) bands (ev): -9.4250 -9.4250 -7.9924 -7.9924 -6.7872 -6.7872 -6.7741 -6.7741 -6.5942 -6.5942 -6.5885 -6.5885 -5.1863 -5.1863 -2.6292 -2.6292 -2.4282 -2.4282 -2.4020 -2.4020 -2.3700 -2.3700 -2.3259 -2.3259 -1.8148 -1.8148 -1.7827 -1.7827 -1.7155 -1.7155 -1.7071 -1.7071 -1.6938 -1.6938 -1.5823 -1.5823 -0.2429 -0.2429 0.7178 0.7178 0.7432 0.7432 1.1995 1.1995 1.3122 1.3122 1.9382 1.9382 2.6558 2.6558 3.1413 3.1413 3.7170 3.7170 3.7884 3.7884 4.5360 4.5360 4.7649 4.7649 4.7975 4.7975 5.0972 5.0972 5.1502 5.1502 5.5322 5.5322 5.7055 5.7055 7.0838 7.0838 7.5725 7.5725 8.1404 8.1404 8.1573 8.1573 9.2440 9.2440 9.8046 9.8046 9.8746 9.8746 k = 0.0411-0.0342-0.0808 ( 6506 PWs) bands (ev): -9.4218 -9.4218 -7.9904 -7.9904 -6.7977 -6.7977 -6.7752 -6.7752 -6.5978 -6.5978 -6.5922 -6.5922 -5.1748 -5.1748 -2.6470 -2.6470 -2.4297 -2.4297 -2.3965 -2.3965 -2.3617 -2.3617 -2.3209 -2.3209 -1.8178 -1.8178 -1.7765 -1.7765 -1.7156 -1.7156 -1.7051 -1.7051 -1.6909 -1.6909 -1.5829 -1.5829 -0.2348 -0.2348 0.7103 0.7103 0.7463 0.7463 1.1775 1.1775 1.3228 1.3228 1.9862 1.9862 2.6540 2.6540 3.1557 3.1557 3.6974 3.6974 3.7771 3.7771 4.5195 4.5195 4.7386 4.7386 4.7954 4.7954 5.0765 5.0765 5.1395 5.1395 5.5175 5.5175 5.6926 5.6926 7.1506 7.1506 7.5991 7.5991 8.1387 8.1387 8.1585 8.1585 9.2455 9.2455 9.7775 9.7775 9.8756 9.8756 k = 0.0514-0.0428-0.1009 ( 6522 PWs) bands (ev): -9.4177 -9.4177 -7.9879 -7.9879 -6.8108 -6.8108 -6.7766 -6.7766 -6.6024 -6.6024 -6.5969 -6.5969 -5.1604 -5.1604 -2.6668 -2.6668 -2.4311 -2.4311 -2.3928 -2.3928 -2.3535 -2.3535 -2.3123 -2.3123 -1.8206 -1.8206 -1.7704 -1.7704 -1.7151 -1.7151 -1.7030 -1.7030 -1.6869 -1.6869 -1.5834 -1.5834 -0.2245 -0.2245 0.7004 0.7004 0.7511 0.7511 1.1500 1.1500 1.3407 1.3407 2.0418 2.0418 2.6510 2.6510 3.1737 3.1737 3.6714 3.6714 3.7657 3.7657 4.4885 4.4885 4.7085 4.7085 4.7919 4.7919 5.0570 5.0570 5.1341 5.1341 5.4927 5.4927 5.6824 5.6824 7.2288 7.2288 7.6292 7.6292 8.1364 8.1364 8.1612 8.1612 9.2470 9.2470 9.7486 9.7486 9.8579 9.8579 k = 0.0617-0.0513-0.1211 ( 6528 PWs) bands (ev): -9.4128 -9.4128 -7.9849 -7.9849 -6.8262 -6.8262 -6.7782 -6.7782 -6.6079 -6.6079 -6.6025 -6.6025 -5.1433 -5.1433 -2.6876 -2.6876 -2.4325 -2.4325 -2.3904 -2.3904 -2.3475 -2.3475 -2.2997 -2.2997 -1.8230 -1.8230 -1.7647 -1.7647 -1.7138 -1.7138 -1.7008 -1.7008 -1.6815 -1.6815 -1.5838 -1.5838 -0.2120 -0.2120 0.6885 0.6885 0.7574 0.7574 1.1198 1.1198 1.3648 1.3648 2.1029 2.1029 2.6466 2.6466 3.1951 3.1951 3.6398 3.6398 3.7546 3.7546 4.4375 4.4375 4.6804 4.6804 4.7867 4.7867 5.0436 5.0436 5.1316 5.1316 5.4583 5.4583 5.6763 5.6763 7.3142 7.3142 7.6603 7.6603 8.1346 8.1346 8.1650 8.1650 9.2480 9.2480 9.7187 9.7187 9.8328 9.8328 k = 0.0719-0.0599-0.1413 ( 6544 PWs) bands (ev): -9.4071 -9.4071 -7.9814 -7.9814 -6.8436 -6.8436 -6.7802 -6.7802 -6.6143 -6.6143 -6.6089 -6.6089 -5.1238 -5.1238 -2.7090 -2.7090 -2.4339 -2.4339 -2.3888 -2.3888 -2.3434 -2.3434 -2.2844 -2.2844 -1.8251 -1.8251 -1.7598 -1.7598 -1.7117 -1.7117 -1.6988 -1.6988 -1.6746 -1.6746 -1.5836 -1.5836 -0.1973 -0.1973 0.6752 0.6752 0.7647 0.7647 1.0890 1.0890 1.3942 1.3942 2.1675 2.1675 2.6405 2.6405 3.2191 3.2191 3.6041 3.6041 3.7441 3.7441 4.3667 4.3667 4.6564 4.6564 4.7805 4.7805 5.0371 5.0371 5.1306 5.1306 5.4173 5.4173 5.6737 5.6737 7.4027 7.4027 7.6902 7.6902 8.1352 8.1352 8.1696 8.1696 9.2479 9.2479 9.6881 9.6881 9.8020 9.8020 k = 0.0822-0.0684-0.1615 ( 6556 PWs) bands (ev): -9.4007 -9.4007 -7.9776 -7.9776 -6.8626 -6.8626 -6.7825 -6.7825 -6.6216 -6.6216 -6.6161 -6.6161 -5.1022 -5.1022 -2.7304 -2.7304 -2.4351 -2.4351 -2.3878 -2.3878 -2.3405 -2.3405 -2.2678 -2.2678 -1.8269 -1.8269 -1.7561 -1.7561 -1.7090 -1.7090 -1.6970 -1.6970 -1.6661 -1.6661 -1.5827 -1.5827 -0.1806 -0.1806 0.6611 0.6611 0.7731 0.7731 1.0588 1.0588 1.4281 1.4281 2.2340 2.2340 2.6322 2.6322 3.2448 3.2448 3.5660 3.5660 3.7344 3.7344 4.2814 4.2814 4.6341 4.6341 4.7740 4.7740 5.0359 5.0359 5.1299 5.1299 5.3738 5.3738 5.6732 5.6732 7.4900 7.4900 7.7165 7.7165 8.1398 8.1398 8.1753 8.1753 9.2462 9.2462 9.6567 9.6567 9.7661 9.7661 k = 0.0925-0.0770-0.1817 ( 6550 PWs) bands (ev): -9.3935 -9.3935 -7.9733 -7.9733 -6.8829 -6.8829 -6.7852 -6.7852 -6.6298 -6.6298 -6.6239 -6.6239 -5.0789 -5.0789 -2.7517 -2.7517 -2.4362 -2.4362 -2.3873 -2.3873 -2.3381 -2.3381 -2.2511 -2.2511 -1.8282 -1.8282 -1.7537 -1.7537 -1.7059 -1.7059 -1.6954 -1.6954 -1.6563 -1.6563 -1.5802 -1.5802 -0.1618 -0.1618 0.6465 0.6465 0.7821 0.7821 1.0301 1.0301 1.4660 1.4660 2.3009 2.3009 2.6214 2.6214 3.2706 3.2706 3.5276 3.5276 3.7255 3.7255 4.1879 4.1879 4.6101 4.6101 4.7680 4.7680 5.0379 5.0379 5.1279 5.1279 5.3325 5.3325 5.6740 5.6740 7.5719 7.5719 7.7374 7.7374 8.1490 8.1490 8.1835 8.1835 9.2423 9.2423 9.6242 9.6242 9.7257 9.7257 k = 0.1028-0.0856-0.2019 ( 6548 PWs) bands (ev): -9.3858 -9.3858 -7.9688 -7.9688 -6.9042 -6.9042 -6.7883 -6.7883 -6.6387 -6.6387 -6.6321 -6.6321 -5.0540 -5.0540 -2.7726 -2.7726 -2.4371 -2.4371 -2.3873 -2.3873 -2.3360 -2.3360 -2.2349 -2.2349 -1.8292 -1.8292 -1.7522 -1.7522 -1.7029 -1.7029 -1.6939 -1.6939 -1.6463 -1.6463 -1.5754 -1.5754 -0.1410 -0.1410 0.6319 0.6319 0.7917 0.7917 1.0035 1.0035 1.5072 1.5072 2.3666 2.3666 2.6077 2.6077 3.2934 3.2934 3.4925 3.4925 3.7177 3.7177 4.0916 4.0916 4.5826 4.5826 4.7626 4.7626 5.0405 5.0405 5.1232 5.1232 5.2982 5.2982 5.6753 5.6753 7.6435 7.6435 7.7519 7.7519 8.1596 8.1596 8.2000 8.2000 9.2358 9.2358 9.5897 9.5897 9.6823 9.6823 k = 0.1130-0.0941-0.2221 ( 6554 PWs) bands (ev): -9.3774 -9.3774 -7.9640 -7.9640 -6.9260 -6.9260 -6.7919 -6.7919 -6.6484 -6.6484 -6.6407 -6.6407 -5.0280 -5.0280 -2.7930 -2.7930 -2.4379 -2.4379 -2.3876 -2.3876 -2.3342 -2.3342 -2.2194 -2.2194 -1.8298 -1.8298 -1.7515 -1.7515 -1.7005 -1.7005 -1.6922 -1.6922 -1.6374 -1.6374 -1.5669 -1.5669 -0.1182 -0.1182 0.6177 0.6177 0.8016 0.8016 0.9794 0.9794 1.5514 1.5514 2.4293 2.4293 2.5907 2.5907 3.3070 3.3070 3.4672 3.4672 3.7106 3.7106 3.9974 3.9974 4.5512 4.5512 4.7570 4.7570 5.0401 5.0401 5.1162 5.1162 5.2749 5.2749 5.6767 5.6767 7.6991 7.6991 7.7621 7.7621 8.1656 8.1656 8.2316 8.2316 9.2268 9.2268 9.5515 9.5515 9.6377 9.6377 k = 0.1233-0.1027-0.2423 ( 6556 PWs) bands (ev): -9.3686 -9.3686 -7.9590 -7.9590 -6.9482 -6.9482 -6.7959 -6.7959 -6.6586 -6.6586 -6.6495 -6.6495 -5.0010 -5.0010 -2.8127 -2.8127 -2.4384 -2.4384 -2.3883 -2.3883 -2.3326 -2.3326 -2.2048 -2.2048 -1.8299 -1.8299 -1.7513 -1.7513 -1.6991 -1.6991 -1.6900 -1.6900 -1.6309 -1.6309 -1.5540 -1.5540 -0.0937 -0.0937 0.6043 0.6043 0.8113 0.8113 0.9581 0.9581 1.5977 1.5977 2.4866 2.4866 2.5706 2.5706 3.3026 3.3026 3.4607 3.4607 3.7024 3.7024 3.9109 3.9109 4.5162 4.5162 4.7501 4.7501 5.0327 5.0327 5.1111 5.1111 5.2635 5.2635 5.6781 5.6781 7.7277 7.7277 7.7776 7.7776 8.1668 8.1668 8.2776 8.2776 9.2155 9.2155 9.5078 9.5078 9.5945 9.5945 k = 0.1336-0.1112-0.2625 ( 6562 PWs) bands (ev): -9.3593 -9.3593 -7.9539 -7.9539 -6.9703 -6.9703 -6.8005 -6.8005 -6.6693 -6.6693 -6.6583 -6.6583 -4.9735 -4.9735 -2.8317 -2.8317 -2.4389 -2.4389 -2.3892 -2.3892 -2.3312 -2.3312 -2.1913 -2.1913 -1.8297 -1.8297 -1.7514 -1.7514 -1.6988 -1.6988 -1.6871 -1.6871 -1.6267 -1.6267 -1.5370 -1.5370 -0.0673 -0.0673 0.5920 0.5920 0.8204 0.8204 0.9401 0.9401 1.6455 1.6455 2.5252 2.5252 2.5581 2.5581 3.2804 3.2804 3.4728 3.4728 3.6875 3.6875 3.8416 3.8416 4.4785 4.4785 4.7402 4.7402 5.0183 5.0183 5.1111 5.1111 5.2616 5.2616 5.6792 5.6792 7.7285 7.7285 7.8004 7.8004 8.1644 8.1644 8.3335 8.3335 9.2024 9.2024 9.4574 9.4574 9.5542 9.5542 k = 0.1439-0.1198-0.2826 ( 6574 PWs) bands (ev): -9.3497 -9.3497 -7.9488 -7.9488 -6.9921 -6.9921 -6.8057 -6.8057 -6.6804 -6.6804 -6.6672 -6.6672 -4.9455 -4.9455 -2.8499 -2.8499 -2.4391 -2.4391 -2.3902 -2.3902 -2.3300 -2.3300 -2.1789 -2.1789 -1.8290 -1.8290 -1.7517 -1.7517 -1.6994 -1.6994 -1.6839 -1.6839 -1.6244 -1.6244 -1.5169 -1.5169 -0.0393 -0.0393 0.5812 0.5812 0.8284 0.8284 0.9257 0.9257 1.6940 1.6940 2.5050 2.5050 2.5907 2.5907 3.2491 3.2491 3.4932 3.4932 3.6576 3.6576 3.8027 3.8027 4.4391 4.4391 4.7264 4.7264 5.0025 5.0025 5.1145 5.1145 5.2663 5.2663 5.6801 5.6801 7.7173 7.7173 7.8179 7.8179 8.1585 8.1585 8.3945 8.3945 9.1881 9.1881 9.4010 9.4010 9.5169 9.5169 k = 0.1541-0.1283-0.3028 ( 6564 PWs) bands (ev): -9.3399 -9.3399 -7.9438 -7.9438 -7.0133 -7.0133 -6.8116 -6.8116 -6.6916 -6.6916 -6.6758 -6.6758 -4.9174 -4.9174 -2.8672 -2.8672 -2.4393 -2.4393 -2.3913 -2.3913 -2.3292 -2.3292 -2.1675 -2.1675 -1.8279 -1.8279 -1.7522 -1.7522 -1.7006 -1.7006 -1.6806 -1.6806 -1.6234 -1.6234 -1.4946 -1.4946 -0.0096 -0.0096 0.5720 0.5720 0.8348 0.8348 0.9151 0.9151 1.7421 1.7421 2.4682 2.4682 2.6247 2.6247 3.2159 3.2159 3.5084 3.5084 3.6223 3.6223 3.7937 3.7937 4.3992 4.3992 4.7083 4.7083 4.9896 4.9896 5.1184 5.1184 5.2758 5.2758 5.6807 5.6807 7.7005 7.7005 7.8269 7.8269 8.1490 8.1490 8.4562 8.4562 9.1732 9.1732 9.3406 9.3406 9.4815 9.4815 k = 0.1644-0.1369-0.3230 ( 6552 PWs) bands (ev): -9.3299 -9.3299 -7.9389 -7.9389 -7.0337 -7.0337 -6.8183 -6.8183 -6.7027 -6.7027 -6.6843 -6.6843 -4.8895 -4.8895 -2.8836 -2.8836 -2.4394 -2.4394 -2.3925 -2.3925 -2.3287 -2.3287 -2.1571 -2.1571 -1.8264 -1.8264 -1.7528 -1.7528 -1.7022 -1.7022 -1.6773 -1.6773 -1.6231 -1.6231 -1.4709 -1.4709 0.0216 0.0216 0.5646 0.5646 0.8391 0.8391 0.9086 0.9086 1.7884 1.7884 2.4241 2.4241 2.6495 2.6495 3.1841 3.1841 3.4996 3.4996 3.6118 3.6118 3.8016 3.8016 4.3602 4.3602 4.6867 4.6867 4.9814 4.9814 5.1211 5.1211 5.2890 5.2890 5.6812 5.6812 7.6802 7.6802 7.8282 7.8282 8.1360 8.1360 8.5148 8.5148 9.1579 9.1579 9.2780 9.2780 9.4475 9.4475 k = 0.1747-0.1454-0.3432 ( 6560 PWs) bands (ev): -9.3199 -9.3199 -7.9342 -7.9342 -7.0529 -7.0529 -6.8258 -6.8258 -6.7136 -6.7136 -6.6924 -6.6924 -4.8618 -4.8618 -2.8990 -2.8990 -2.4394 -2.4394 -2.3935 -2.3935 -2.3286 -2.3286 -2.1476 -2.1476 -1.8246 -1.8246 -1.7534 -1.7534 -1.7042 -1.7042 -1.6742 -1.6742 -1.6235 -1.6235 -1.4464 -1.4464 0.0542 0.0542 0.5593 0.5593 0.8415 0.8415 0.9055 0.9055 1.8312 1.8312 2.3739 2.3739 2.6644 2.6644 3.1557 3.1557 3.4710 3.4710 3.6277 3.6277 3.8183 3.8183 4.3240 4.3240 4.6631 4.6631 4.9771 4.9771 5.1219 5.1219 5.3052 5.3052 5.6818 5.6818 7.6577 7.6577 7.8231 7.8231 8.1194 8.1194 8.5673 8.5673 9.1412 9.1412 9.2161 9.2161 9.4145 9.4145 k = 0.1850-0.1540-0.3634 ( 6554 PWs) bands (ev): -9.3100 -9.3100 -7.9298 -7.9298 -7.0708 -7.0708 -6.8342 -6.8342 -6.7241 -6.7241 -6.7001 -6.7001 -4.8347 -4.8347 -2.9134 -2.9134 -2.4394 -2.4394 -2.3944 -2.3944 -2.3289 -2.3289 -2.1391 -2.1391 -1.8226 -1.8226 -1.7540 -1.7540 -1.7063 -1.7063 -1.6714 -1.6714 -1.6242 -1.6242 -1.4217 -1.4217 0.0881 0.0881 0.5562 0.5562 0.8429 0.8429 0.9046 0.9046 1.8682 1.8682 2.3192 2.3192 2.6705 2.6705 3.1319 3.1319 3.4433 3.4433 3.6503 3.6503 3.8392 3.8392 4.2932 4.2932 4.6391 4.6391 4.9752 4.9752 5.1210 5.1210 5.3235 5.3235 5.6828 5.6828 7.6334 7.6334 7.8130 7.8130 8.0995 8.0995 8.6110 8.6110 9.1163 9.1163 9.1640 9.1640 9.3827 9.3827 k = 0.1952-0.1626-0.3836 ( 6548 PWs) bands (ev): -9.3002 -9.3002 -7.9257 -7.9257 -7.0871 -7.0871 -6.8437 -6.8437 -6.7339 -6.7339 -6.7073 -6.7073 -4.8083 -4.8083 -2.9267 -2.9267 -2.4394 -2.4394 -2.3951 -2.3951 -2.3297 -2.3297 -2.1313 -2.1313 -1.8203 -1.8203 -1.7546 -1.7546 -1.7084 -1.7084 -1.6688 -1.6688 -1.6251 -1.6251 -1.3972 -1.3972 0.1231 0.1231 0.5553 0.5553 0.8445 0.8445 0.9044 0.9044 1.8957 1.8957 2.2634 2.2634 2.6696 2.6696 3.1131 3.1131 3.4238 3.4238 3.6712 3.6712 3.8601 3.8601 4.2712 4.2712 4.6161 4.6161 4.9737 4.9737 5.1192 5.1192 5.3428 5.3428 5.6848 5.6848 7.6078 7.6078 7.7991 7.7991 8.0768 8.0768 8.6435 8.6435 9.0689 9.0689 9.1381 9.1381 9.3524 9.3524 k = 0.2055-0.1711-0.4038 ( 6550 PWs) bands (ev): -9.2906 -9.2906 -7.9221 -7.9221 -7.1017 -7.1017 -6.8541 -6.8541 -6.7429 -6.7429 -6.7140 -6.7140 -4.7828 -4.7828 -2.9390 -2.9390 -2.4394 -2.4394 -2.3956 -2.3956 -2.3308 -2.3308 -2.1243 -2.1243 -1.8179 -1.8179 -1.7552 -1.7552 -1.7105 -1.7105 -1.6667 -1.6667 -1.6263 -1.6263 -1.3731 -1.3731 0.1591 0.1591 0.5567 0.5567 0.8470 0.8470 0.9039 0.9039 1.9080 1.9080 2.2121 2.2121 2.6642 2.6642 3.0999 3.0999 3.4141 3.4141 3.6875 3.6875 3.8757 3.8757 4.2618 4.2618 4.5955 4.5955 4.9707 4.9707 5.1178 5.1178 5.3618 5.3618 5.6883 5.6883 7.5809 7.5809 7.7827 7.7827 8.0518 8.0518 8.6620 8.6620 9.0138 9.0138 9.1270 9.1270 9.3236 9.3236 k = 0.2158-0.1797-0.4240 ( 6556 PWs) bands (ev): -9.2814 -9.2814 -7.9190 -7.9190 -7.1144 -7.1144 -6.8655 -6.8655 -6.7510 -6.7510 -6.7201 -6.7201 -4.7583 -4.7583 -2.9503 -2.9503 -2.4395 -2.4395 -2.3957 -2.3957 -2.3324 -2.3324 -2.1179 -2.1179 -1.8153 -1.8153 -1.7559 -1.7559 -1.7125 -1.7125 -1.6652 -1.6652 -1.6275 -1.6275 -1.3500 -1.3500 0.1960 0.1960 0.5604 0.5604 0.8505 0.8505 0.9025 0.9025 1.8976 1.8976 2.1733 2.1733 2.6563 2.6563 3.0926 3.0926 3.4137 3.4137 3.6980 3.6980 3.8817 3.8817 4.2672 4.2672 4.5783 4.5783 4.9643 4.9643 5.1180 5.1180 5.3789 5.3789 5.6943 5.6943 7.5530 7.5530 7.7652 7.7652 8.0252 8.0252 8.6634 8.6634 8.9637 8.9637 9.1219 9.1219 9.2963 9.2963 k = 0.2261-0.1882-0.4442 ( 6558 PWs) bands (ev): -9.2726 -9.2726 -7.9165 -7.9165 -7.1250 -7.1250 -6.8778 -6.8778 -6.7582 -6.7582 -6.7256 -6.7256 -4.7351 -4.7351 -2.9604 -2.9604 -2.4396 -2.4396 -2.3954 -2.3954 -2.3344 -2.3344 -2.1122 -2.1122 -1.8128 -1.8128 -1.7567 -1.7567 -1.7141 -1.7141 -1.6642 -1.6642 -1.6286 -1.6286 -1.3280 -1.3280 0.2335 0.2335 0.5664 0.5664 0.8544 0.8544 0.9008 0.9008 1.8606 1.8606 2.1520 2.1520 2.6473 2.6473 3.0916 3.0916 3.4216 3.4216 3.7025 3.7025 3.8772 3.8772 4.2855 4.2855 4.5662 4.5662 4.9537 4.9537 5.1209 5.1209 5.3925 5.3925 5.7038 5.7038 7.5242 7.5242 7.7476 7.7476 7.9980 7.9980 8.6456 8.6456 8.9242 8.9242 9.1211 9.1211 9.2703 9.2703 k = 0.2364-0.1968-0.4643 ( 6554 PWs) bands (ev): -9.2643 -9.2643 -7.9145 -7.9145 -7.1335 -7.1335 -6.8909 -6.8909 -6.7645 -6.7645 -6.7303 -6.7303 -4.7133 -4.7133 -2.9695 -2.9695 -2.4398 -2.4398 -2.3948 -2.3948 -2.3368 -2.3368 -2.1071 -2.1071 -1.8104 -1.8104 -1.7575 -1.7575 -1.7154 -1.7154 -1.6640 -1.6640 -1.6295 -1.6295 -1.3074 -1.3074 0.2714 0.2714 0.5745 0.5745 0.8564 0.8564 0.9009 0.9009 1.8024 1.8024 2.1445 2.1445 2.6377 2.6377 3.0972 3.0972 3.4365 3.4365 3.7007 3.7007 3.8650 3.8650 4.3102 4.3102 4.5611 4.5611 4.9387 4.9387 5.1265 5.1265 5.4012 5.4012 5.7174 5.7174 7.4946 7.4946 7.7310 7.7310 7.9709 7.9709 8.6096 8.6096 8.8968 8.8968 9.1240 9.1240 9.2453 9.2453 k = 0.2466-0.2053-0.4845 ( 6552 PWs) bands (ev): -9.2566 -9.2566 -7.9132 -7.9132 -7.1398 -7.1398 -6.9047 -6.9047 -6.7700 -6.7700 -6.7344 -6.7344 -4.6929 -4.6929 -2.9776 -2.9776 -2.4401 -2.4401 -2.3938 -2.3938 -2.3396 -2.3396 -2.1025 -2.1025 -1.8080 -1.8080 -1.7584 -1.7584 -1.7162 -1.7162 -1.6645 -1.6645 -1.6302 -1.6302 -1.2885 -1.2885 0.3094 0.3094 0.5847 0.5847 0.8531 0.8531 0.9062 0.9062 1.7319 1.7319 2.1438 2.1438 2.6273 2.6273 3.1098 3.1098 3.4567 3.4567 3.6931 3.6931 3.8493 3.8493 4.3334 4.3334 4.5655 4.5655 4.9204 4.9204 5.1344 5.1344 5.4042 5.4042 5.7351 5.7351 7.4648 7.4648 7.7160 7.7160 7.9452 7.9452 8.5602 8.5602 8.8797 8.8797 9.1294 9.1294 9.2213 9.2213 k = 0.2569-0.2139-0.5047 ( 6562 PWs) bands (ev): -9.2495 -9.2495 -7.9126 -7.9126 -7.1437 -7.1437 -6.9189 -6.9189 -6.7749 -6.7749 -6.7376 -6.7376 -4.6742 -4.6742 -2.9846 -2.9846 -2.4403 -2.4403 -2.3924 -2.3924 -2.3427 -2.3427 -2.0984 -2.0984 -1.8059 -1.8059 -1.7594 -1.7594 -1.7164 -1.7164 -1.6657 -1.6657 -1.6307 -1.6307 -1.2715 -1.2715 0.3472 0.3472 0.5968 0.5968 0.8438 0.8438 0.9178 0.9178 1.6555 1.6555 2.1461 2.1461 2.6155 2.6155 3.1292 3.1292 3.4804 3.4804 3.6807 3.6807 3.8330 3.8330 4.3487 4.3487 4.5798 4.5798 4.9002 4.9002 5.1439 5.1439 5.4015 5.4015 5.7561 5.7561 7.4354 7.4354 7.7032 7.7032 7.9220 7.9220 8.5033 8.5033 8.8702 8.8702 9.1353 9.1353 9.1992 9.1992 k = 0.2672-0.2224-0.5249 ( 6566 PWs) bands (ev): -9.2431 -9.2431 -7.9125 -7.9125 -7.1453 -7.1453 -6.9335 -6.9335 -6.7791 -6.7791 -6.7400 -6.7400 -4.6572 -4.6572 -2.9906 -2.9906 -2.4406 -2.4406 -2.3905 -2.3905 -2.3461 -2.3461 -2.0948 -2.0948 -1.8040 -1.8040 -1.7605 -1.7605 -1.7161 -1.7161 -1.6675 -1.6675 -1.6308 -1.6308 -1.2566 -1.2566 0.3844 0.3844 0.6104 0.6104 0.8300 0.8300 0.9343 0.9343 1.5772 1.5772 2.1498 2.1498 2.6019 2.6019 3.1547 3.1547 3.5043 3.5043 3.6662 3.6662 3.8178 3.8178 4.3546 4.3546 4.6008 4.6008 4.8806 4.8806 5.1545 5.1545 5.3938 5.3938 5.7792 5.7792 7.4071 7.4071 7.6927 7.6927 7.9024 7.9024 8.4433 8.4433 8.8668 8.8668 9.1362 9.1362 9.1837 9.1837 k = 0.2775-0.2310-0.5451 ( 6574 PWs) bands (ev): -9.2374 -9.2374 -7.9132 -7.9132 -7.1445 -7.1445 -6.9482 -6.9482 -6.7830 -6.7830 -6.7414 -6.7414 -4.6420 -4.6420 -2.9955 -2.9955 -2.4409 -2.4409 -2.3884 -2.3884 -2.3498 -2.3498 -2.0918 -2.0918 -1.8024 -1.8024 -1.7616 -1.7616 -1.7153 -1.7153 -1.6698 -1.6698 -1.6308 -1.6308 -1.2440 -1.2440 0.4207 0.4207 0.6250 0.6250 0.8135 0.8135 0.9545 0.9545 1.4995 1.4995 2.1549 2.1549 2.5863 2.5863 3.1852 3.1852 3.5235 3.5235 3.6551 3.6551 3.8039 3.8039 4.3531 4.3531 4.6208 4.6208 4.8649 4.8649 5.1654 5.1654 5.3820 5.3820 5.8028 5.8028 7.3809 7.3809 7.6847 7.6847 7.8877 7.8877 8.3834 8.3834 8.8687 8.8687 9.1235 9.1235 9.1829 9.1829 k = 0.2877-0.2396-0.5653 ( 6568 PWs) bands (ev): -9.2325 -9.2325 -7.9144 -7.9144 -7.1414 -7.1414 -6.9631 -6.9631 -6.7865 -6.7865 -6.7419 -6.7419 -4.6286 -4.6286 -2.9996 -2.9996 -2.4411 -2.4411 -2.3858 -2.3858 -2.3537 -2.3537 -2.0893 -2.0893 -1.8012 -1.8012 -1.7627 -1.7627 -1.7142 -1.7142 -1.6723 -1.6723 -1.6307 -1.6307 -1.2338 -1.2338 0.4554 0.4554 0.6396 0.6396 0.7961 0.7961 0.9780 0.9780 1.4243 1.4243 2.1615 2.1615 2.5689 2.5689 3.2191 3.2191 3.5301 3.5301 3.6551 3.6551 3.7915 3.7915 4.3471 4.3471 4.6318 4.6318 4.8572 4.8572 5.1763 5.1763 5.3674 5.3674 5.8252 5.8252 7.3576 7.3576 7.6792 7.6792 7.8789 7.8789 8.3256 8.3256 8.8761 8.8761 9.1011 9.1011 9.1928 9.1928 k = 0.2980-0.2481-0.5855 ( 6568 PWs) bands (ev): -9.2283 -9.2283 -7.9162 -7.9162 -7.1361 -7.1361 -6.9778 -6.9778 -6.7899 -6.7899 -6.7415 -6.7415 -4.6171 -4.6171 -3.0027 -3.0027 -2.4413 -2.4413 -2.3829 -2.3829 -2.3578 -2.3578 -2.0873 -2.0873 -1.8002 -1.8002 -1.7636 -1.7636 -1.7128 -1.7128 -1.6748 -1.6748 -1.6305 -1.6305 -1.2262 -1.2262 0.4878 0.4878 0.6522 0.6522 0.7800 0.7800 1.0042 1.0042 1.3534 1.3534 2.1699 2.1699 2.5502 2.5502 3.2548 3.2548 3.5219 3.5219 3.6684 3.6684 3.7804 3.7804 4.3387 4.3387 4.6285 4.6285 4.8593 4.8593 5.1865 5.1865 5.3514 5.3514 5.8450 5.8450 7.3381 7.3381 7.6760 7.6760 7.8770 7.8770 8.2714 8.2714 8.8889 8.8889 9.0754 9.0754 9.2071 9.2071 k = 0.3083-0.2567-0.6057 ( 6566 PWs) bands (ev): -9.2248 -9.2248 -7.9186 -7.9186 -7.1285 -7.1285 -6.9924 -6.9924 -6.7932 -6.7932 -6.7402 -6.7402 -4.6076 -4.6076 -3.0050 -3.0050 -2.4414 -2.4414 -2.3797 -2.3797 -2.3619 -2.3619 -2.0859 -2.0859 -1.7995 -1.7995 -1.7642 -1.7642 -1.7115 -1.7115 -1.6770 -1.6770 -1.6304 -1.6304 -1.2211 -1.2211 0.5169 0.5169 0.6597 0.6597 0.7690 0.7690 1.0326 1.0326 1.2886 1.2886 2.1800 2.1800 2.5308 2.5308 3.2900 3.2900 3.5055 3.5055 3.6875 3.6875 3.7719 3.7719 4.3294 4.3294 4.6116 4.6116 4.8686 4.8686 5.1955 5.1955 5.3355 5.3355 5.8609 5.8609 7.3231 7.3231 7.6753 7.6753 7.8826 7.8826 8.2221 8.2221 8.9066 8.9066 9.0494 9.0494 9.2240 9.2240 k = 0.3186-0.2652-0.6259 ( 6558 PWs) bands (ev): -9.2220 -9.2220 -7.9214 -7.9214 -7.1189 -7.1189 -7.0067 -7.0067 -6.7964 -6.7964 -6.7382 -6.7382 -4.5999 -4.5999 -3.0064 -3.0064 -2.4414 -2.4414 -2.3762 -2.3762 -2.3661 -2.3661 -2.0850 -2.0850 -1.7991 -1.7991 -1.7647 -1.7647 -1.7105 -1.7105 -1.6786 -1.6786 -1.6303 -1.6303 -1.2186 -1.2186 0.5408 0.5408 0.6590 0.6590 0.7671 0.7671 1.0622 1.0622 1.2325 1.2325 2.1916 2.1916 2.5116 2.5116 3.3215 3.3215 3.4883 3.4883 3.7026 3.7026 3.7690 3.7690 4.3202 4.3202 4.5854 4.5854 4.8797 4.8797 5.2024 5.2024 5.3218 5.3218 5.8719 5.8719 7.3133 7.3133 7.6768 7.6768 7.8961 7.8961 8.1784 8.1784 8.9271 8.9271 9.0263 9.0263 9.2430 9.2430 k = 0.3288-0.2738-0.6460 ( 6568 PWs) bands (ev): -9.2199 -9.2199 -7.9246 -7.9246 -7.1073 -7.1073 -7.0207 -7.0207 -6.7996 -6.7996 -6.7355 -6.7355 -4.5941 -4.5941 -3.0072 -3.0072 -2.4414 -2.4414 -2.3732 -2.3732 -2.3694 -2.3694 -2.0846 -2.0846 -1.7989 -1.7989 -1.7649 -1.7649 -1.7101 -1.7101 -1.6793 -1.6793 -1.6302 -1.6302 -1.2187 -1.2187 0.5552 0.5552 0.6533 0.6533 0.7737 0.7737 1.0895 1.0895 1.1903 1.1903 2.2038 2.2038 2.4938 2.4938 3.3443 3.3443 3.4770 3.4770 3.7071 3.7071 3.7746 3.7746 4.3118 4.3118 4.5536 4.5536 4.8881 4.8881 5.2061 5.2061 5.3123 5.3123 5.8774 5.8774 7.3091 7.3091 7.6807 7.6807 7.9173 7.9173 8.1413 8.1413 8.9407 8.9407 9.0162 9.0162 9.2638 9.2638 k = 0.3391-0.2823-0.6662 ( 6566 PWs) bands (ev): -9.2185 -9.2185 -7.9282 -7.9282 -7.0939 -7.0939 -7.0342 -7.0342 -6.8027 -6.8027 -6.7323 -6.7323 -4.5902 -4.5902 -3.0072 -3.0072 -2.4414 -2.4414 -2.3753 -2.3753 -2.3672 -2.3672 -2.0849 -2.0849 -1.7989 -1.7989 -1.7650 -1.7650 -1.7102 -1.7102 -1.6789 -1.6789 -1.6303 -1.6303 -1.2211 -1.2211 0.5535 0.5535 0.6523 0.6523 0.7842 0.7842 1.1027 1.1027 1.1759 1.1759 2.2152 2.2152 2.4793 2.4793 3.3526 3.3526 3.4773 3.4773 3.7030 3.7030 3.7849 3.7849 4.3047 4.3047 4.5191 4.5191 4.8913 4.8913 5.2057 5.2057 5.3088 5.3088 5.8773 5.8773 7.3107 7.3107 7.6869 7.6869 7.9452 7.9452 8.1116 8.1116 8.9322 8.9322 9.0346 9.0346 9.2865 9.2865 k = 0.3494-0.2909-0.6864 ( 6564 PWs) bands (ev): -9.2176 -9.2176 -7.9320 -7.9320 -7.0790 -7.0790 -7.0472 -7.0472 -6.8057 -6.8057 -6.7287 -6.7287 -4.5879 -4.5879 -3.0067 -3.0067 -2.4413 -2.4413 -2.3792 -2.3792 -2.3628 -2.3628 -2.0857 -2.0857 -1.7989 -1.7989 -1.7650 -1.7650 -1.7107 -1.7107 -1.6775 -1.6775 -1.6305 -1.6305 -1.2258 -1.2258 0.5347 0.5347 0.6596 0.6596 0.7944 0.7944 1.0958 1.0958 1.1966 1.1966 2.2237 2.2237 2.4704 2.4704 3.3466 3.3466 3.4882 3.4882 3.6961 3.6961 3.7930 3.7930 4.2989 4.2989 4.4840 4.4840 4.8881 4.8881 5.2020 5.2020 5.3113 5.3113 5.8717 5.8717 7.3181 7.3181 7.6956 7.6956 7.9771 7.9771 8.0916 8.0916 8.9098 8.9098 9.0733 9.0733 9.3113 9.3113 k = 0.3597-0.2994-0.7066 ( 6568 PWs) bands (ev): -9.2172 -9.2172 -7.9360 -7.9360 -7.0629 -7.0629 -7.0594 -7.0594 -6.8086 -6.8086 -6.7250 -6.7250 -4.5873 -4.5873 -3.0057 -3.0057 -2.4412 -2.4412 -2.3830 -2.3830 -2.3579 -2.3579 -2.0871 -2.0871 -1.7990 -1.7990 -1.7650 -1.7650 -1.7115 -1.7115 -1.6754 -1.6754 -1.6307 -1.6307 -1.2325 -1.2325 0.5050 0.5050 0.6701 0.6701 0.8025 0.8025 1.0902 1.0902 1.2316 1.2316 2.2266 2.2266 2.4698 2.4698 3.3326 3.3326 3.5015 3.5015 3.6905 3.6905 3.7955 3.7955 4.2937 4.2937 4.4504 4.4504 4.8784 4.8784 5.1963 5.1963 5.3185 5.3185 5.8612 5.8612 7.3310 7.3310 7.7069 7.7069 8.0050 8.0050 8.0880 8.0880 8.8840 8.8840 9.1217 9.1217 9.3382 9.3382 k = 0.6403-0.0651-0.5514 ( 6568 PWs) bands (ev): -9.2172 -9.2172 -7.9360 -7.9360 -7.0629 -7.0629 -7.0594 -7.0594 -6.8086 -6.8086 -6.7250 -6.7250 -4.5873 -4.5873 -3.0057 -3.0057 -2.4412 -2.4412 -2.3830 -2.3830 -2.3579 -2.3579 -2.0871 -2.0871 -1.7990 -1.7990 -1.7650 -1.7650 -1.7115 -1.7115 -1.6754 -1.6754 -1.6307 -1.6307 -1.2325 -1.2325 0.5050 0.5050 0.6701 0.6701 0.8025 0.8025 1.0902 1.0902 1.2316 1.2316 2.2266 2.2266 2.4698 2.4698 3.3326 3.3326 3.5015 3.5015 3.6905 3.6905 3.7955 3.7955 4.2937 4.2937 4.4504 4.4504 4.8784 4.8784 5.1963 5.1963 5.3185 5.3185 5.8612 5.8612 7.3310 7.3310 7.7069 7.7069 8.0050 8.0050 8.0880 8.0880 8.8840 8.8840 9.1217 9.1217 9.3382 9.3382 k = 0.6303-0.0437-0.5514 ( 6572 PWs) bands (ev): -9.2172 -9.2172 -7.9400 -7.9400 -7.0711 -7.0711 -7.0457 -7.0457 -6.8114 -6.8114 -6.7214 -6.7214 -4.5881 -4.5881 -3.0043 -3.0043 -2.4411 -2.4411 -2.3867 -2.3867 -2.3527 -2.3527 -2.0890 -2.0890 -1.7990 -1.7990 -1.7652 -1.7652 -1.7120 -1.7120 -1.6729 -1.6729 -1.6311 -1.6311 -1.2408 -1.2408 0.4707 0.4707 0.6790 0.6790 0.8089 0.8089 1.0938 1.0938 1.2703 1.2703 2.2223 2.2223 2.4790 2.4790 3.3164 3.3164 3.5100 3.5100 3.6886 3.6886 3.7914 3.7914 4.2874 4.2874 4.4216 4.4216 4.8635 4.8635 5.1901 5.1901 5.3288 5.3288 5.8468 5.8468 7.3484 7.3484 7.7204 7.7204 8.0163 8.0163 8.1108 8.1108 8.8584 8.8584 9.1744 9.1744 9.3672 9.3672 k = 0.6203-0.0223-0.5514 ( 6568 PWs) bands (ev): -9.2176 -9.2176 -7.9441 -7.9441 -7.0820 -7.0820 -7.0279 -7.0279 -6.8141 -6.8141 -6.7179 -6.7179 -4.5901 -4.5901 -3.0025 -3.0025 -2.4410 -2.4410 -2.3901 -2.3901 -2.3473 -2.3473 -2.0914 -2.0914 -1.7991 -1.7991 -1.7657 -1.7657 -1.7121 -1.7121 -1.6700 -1.6700 -1.6315 -1.6315 -1.2505 -1.2505 0.4338 0.4338 0.6848 0.6848 0.8153 0.8153 1.1060 1.1060 1.3110 1.3110 2.2107 2.2107 2.4982 2.4982 3.3000 3.3000 3.5109 3.5109 3.6905 3.6905 3.7812 3.7812 4.2771 4.2771 4.3999 4.3999 4.8443 4.8443 5.1839 5.1839 5.3410 5.3410 5.8294 5.8294 7.3698 7.3698 7.7365 7.7365 8.0169 8.0169 8.1530 8.1530 8.8336 8.8336 9.2301 9.2301 9.3998 9.3998 k = 0.6103-0.0009-0.5514 ( 6566 PWs) bands (ev): -9.2182 -9.2182 -7.9481 -7.9481 -7.0921 -7.0921 -7.0096 -7.0096 -6.8166 -6.8166 -6.7147 -6.7147 -4.5931 -4.5931 -3.0005 -3.0005 -2.4410 -2.4410 -2.3932 -2.3932 -2.3416 -2.3416 -2.0942 -2.0942 -1.7990 -1.7990 -1.7664 -1.7664 -1.7116 -1.7116 -1.6670 -1.6670 -1.6320 -1.6320 -1.2613 -1.2613 0.3959 0.3959 0.6872 0.6872 0.8230 0.8230 1.1243 1.1243 1.3531 1.3531 2.1930 2.1930 2.5260 2.5260 3.2845 3.2845 3.5040 3.5040 3.6927 3.6927 3.7681 3.7681 4.2601 4.2601 4.3879 4.3879 4.8219 4.8219 5.1777 5.1777 5.3546 5.3546 5.8100 5.8100 7.3945 7.3945 7.7549 7.7549 8.0164 8.0164 8.2030 8.2030 8.8099 8.8099 9.2857 9.2857 9.4382 9.4382 k = 0.6002 0.0204-0.5514 ( 6570 PWs) bands (ev): -9.2191 -9.2191 -7.9520 -7.9520 -7.1015 -7.1015 -6.9909 -6.9909 -6.8191 -6.8191 -6.7119 -6.7119 -4.5970 -4.5970 -2.9983 -2.9983 -2.4410 -2.4410 -2.3961 -2.3961 -2.3358 -2.3358 -2.0975 -2.0975 -1.7989 -1.7989 -1.7675 -1.7675 -1.7104 -1.7104 -1.6640 -1.6640 -1.6325 -1.6325 -1.2728 -1.2728 0.3583 0.3583 0.6870 0.6870 0.8322 0.8322 1.1464 1.1464 1.3959 1.3959 2.1707 2.1707 2.5608 2.5608 3.2705 3.2705 3.4911 3.4911 3.6862 3.6862 3.7599 3.7599 4.2369 4.2369 4.3850 4.3850 4.7974 4.7974 5.1715 5.1715 5.3690 5.3690 5.7895 5.7895 7.4215 7.4215 7.7754 7.7754 8.0181 8.0181 8.2558 8.2558 8.7877 8.7877 9.3370 9.3370 9.4851 9.4851 k = 0.5902 0.0418-0.5514 ( 6574 PWs) bands (ev): -9.2201 -9.2201 -7.9557 -7.9557 -7.1101 -7.1101 -6.9722 -6.9722 -6.8214 -6.8214 -6.7095 -6.7095 -4.6014 -4.6014 -2.9960 -2.9960 -2.4410 -2.4410 -2.3987 -2.3987 -2.3298 -2.3298 -2.1011 -2.1011 -1.7988 -1.7988 -1.7690 -1.7690 -1.7085 -1.7085 -1.6612 -1.6612 -1.6330 -1.6330 -1.2849 -1.2849 0.3220 0.3220 0.6852 0.6852 0.8425 0.8425 1.1704 1.1704 1.4392 1.4392 2.1452 2.1452 2.6012 2.6012 3.2582 3.2582 3.4740 3.4740 3.6634 3.6634 3.7633 3.7633 4.2102 4.2102 4.3884 4.3884 4.7718 4.7718 5.1650 5.1650 5.3837 5.3837 5.7690 5.7690 7.4496 7.4496 7.7976 7.7976 8.0229 8.0229 8.3088 8.3088 8.7669 8.7669 9.3809 9.3809 9.5426 9.5426 k = 0.5802 0.0632-0.5514 ( 6578 PWs) bands (ev): -9.2212 -9.2212 -7.9592 -7.9592 -7.1179 -7.1179 -6.9538 -6.9538 -6.8237 -6.8237 -6.7078 -6.7078 -4.6062 -4.6062 -2.9937 -2.9937 -2.4411 -2.4411 -2.4010 -2.4010 -2.3238 -2.3238 -2.1049 -2.1049 -1.7985 -1.7985 -1.7707 -1.7707 -1.7061 -1.7061 -1.6586 -1.6586 -1.6335 -1.6335 -1.2970 -1.2970 0.2878 0.2878 0.6827 0.6827 0.8531 0.8531 1.1949 1.1949 1.4825 1.4825 2.1173 2.1173 2.6459 2.6459 3.2477 3.2477 3.4545 3.4545 3.6283 3.6283 3.7739 3.7739 4.1823 4.1823 4.3954 4.3954 4.7460 4.7460 5.1581 5.1581 5.3981 5.3981 5.7495 5.7495 7.4778 7.4778 7.8207 7.8207 8.0310 8.0310 8.3606 8.3606 8.7474 8.7474 9.4170 9.4170 9.6094 9.6094 k = 0.5702 0.0846-0.5514 ( 6574 PWs) bands (ev): -9.2223 -9.2223 -7.9624 -7.9624 -7.1249 -7.1249 -6.9359 -6.9359 -6.8259 -6.8259 -6.7066 -6.7066 -4.6112 -4.6112 -2.9915 -2.9915 -2.4412 -2.4412 -2.4029 -2.4029 -2.3178 -2.3178 -2.1089 -2.1089 -1.7982 -1.7982 -1.7726 -1.7726 -1.7032 -1.7032 -1.6565 -1.6565 -1.6337 -1.6337 -1.3088 -1.3088 0.2565 0.2565 0.6800 0.6800 0.8635 0.8635 1.2187 1.2187 1.5257 1.5257 2.0877 2.0877 2.6940 2.6940 3.2392 3.2392 3.4335 3.4335 3.5861 3.5861 3.7871 3.7871 4.1550 4.1550 4.4043 4.4043 4.7207 4.7207 5.1509 5.1509 5.4118 5.4118 5.7318 5.7318 7.5049 7.5049 7.8437 7.8437 8.0424 8.0424 8.4097 8.4097 8.7290 8.7290 9.4468 9.4468 9.6818 9.6818 k = 0.5601 0.1060-0.5514 ( 6588 PWs) bands (ev): -9.2234 -9.2234 -7.9653 -7.9653 -7.1309 -7.1309 -6.9189 -6.9189 -6.8281 -6.8281 -6.7061 -6.7061 -4.6161 -4.6161 -2.9894 -2.9894 -2.4414 -2.4414 -2.4046 -2.4046 -2.3120 -2.3120 -2.1130 -2.1130 -1.7978 -1.7978 -1.7745 -1.7745 -1.7000 -1.7000 -1.6549 -1.6549 -1.6336 -1.6336 -1.3200 -1.3200 0.2284 0.2284 0.6777 0.6777 0.8732 0.8732 1.2411 1.2411 1.5683 1.5683 2.0568 2.0568 2.7448 2.7448 3.2325 3.2325 3.4117 3.4117 3.5399 3.5399 3.8006 3.8006 4.1293 4.1293 4.4141 4.4141 4.6966 4.6966 5.1436 5.1436 5.4241 5.4241 5.7166 5.7166 7.5300 7.5300 7.8656 7.8656 8.0571 8.0571 8.4551 8.4551 8.7113 8.7113 9.4718 9.4718 9.7540 9.7540 k = 0.5501 0.1274-0.5514 ( 6580 PWs) bands (ev): -9.2244 -9.2244 -7.9678 -7.9678 -7.1361 -7.1361 -6.9031 -6.9031 -6.8304 -6.8304 -6.7061 -6.7061 -4.6207 -4.6207 -2.9875 -2.9875 -2.4415 -2.4415 -2.4060 -2.4060 -2.3067 -2.3067 -2.1169 -2.1169 -1.7974 -1.7974 -1.7764 -1.7764 -1.6967 -1.6967 -1.6539 -1.6539 -1.6332 -1.6332 -1.3302 -1.3302 0.2041 0.2041 0.6757 0.6757 0.8818 0.8818 1.2613 1.2613 1.6101 1.6101 2.0250 2.0250 2.7974 2.7974 3.2274 3.2274 3.3892 3.3892 3.4925 3.4925 3.8135 3.8135 4.1058 4.1058 4.4240 4.4240 4.6744 4.6744 5.1364 5.1364 5.4346 5.4346 5.7041 5.7041 7.5521 7.5521 7.8850 7.8850 8.0747 8.0747 8.4958 8.4958 8.6940 8.6940 9.4927 9.4927 9.8022 9.8022 k = 0.5401 0.1488-0.5514 ( 6576 PWs) bands (ev): -9.2253 -9.2253 -7.9699 -7.9699 -7.1404 -7.1404 -6.8886 -6.8886 -6.8328 -6.8328 -6.7065 -6.7065 -4.6247 -4.6247 -2.9858 -2.9858 -2.4417 -2.4417 -2.4070 -2.4070 -2.3019 -2.3019 -2.1204 -2.1204 -1.7969 -1.7969 -1.7782 -1.7782 -1.6936 -1.6936 -1.6536 -1.6536 -1.6325 -1.6325 -1.3392 -1.3392 0.1837 0.1837 0.6741 0.6741 0.8892 0.8892 1.2786 1.2786 1.6506 1.6506 1.9929 1.9929 2.8506 2.8506 3.2235 3.2235 3.3647 3.3647 3.4479 3.4479 3.8252 3.8252 4.0853 4.0853 4.4335 4.4335 4.6548 4.6548 5.1296 5.1296 5.4431 5.4431 5.6945 5.6945 7.5708 7.5708 7.9012 7.9012 8.0943 8.0943 8.5312 8.5312 8.6770 8.6770 9.5100 9.5100 9.7893 9.7893 k = 0.5301 0.1702-0.5514 ( 6582 PWs) bands (ev): -9.2260 -9.2260 -7.9715 -7.9715 -7.1437 -7.1437 -6.8759 -6.8759 -6.8356 -6.8356 -6.7073 -6.7073 -4.6280 -4.6280 -2.9845 -2.9845 -2.4419 -2.4419 -2.4079 -2.4079 -2.2978 -2.2978 -2.1235 -2.1235 -1.7964 -1.7964 -1.7797 -1.7797 -1.6907 -1.6907 -1.6538 -1.6538 -1.6317 -1.6317 -1.3465 -1.3465 0.1677 0.1677 0.6729 0.6729 0.8951 0.8951 1.2926 1.2926 1.6890 1.6890 1.9610 1.9610 2.9028 2.9028 3.2201 3.2201 3.3358 3.3358 3.4118 3.4118 3.8351 3.8351 4.0684 4.0684 4.4418 4.4418 4.6383 4.6383 5.1238 5.1238 5.4494 5.4494 5.6877 5.6877 7.5855 7.5855 7.9135 7.9135 8.1141 8.1141 8.5608 8.5608 8.6604 8.6604 9.5237 9.5237 9.7635 9.7635 k = 0.5200 0.1916-0.5514 ( 6588 PWs) bands (ev): -9.2265 -9.2265 -7.9727 -7.9727 -7.1461 -7.1461 -6.8650 -6.8650 -6.8390 -6.8390 -6.7080 -6.7080 -4.6306 -4.6306 -2.9835 -2.9835 -2.4420 -2.4420 -2.4084 -2.4084 -2.2947 -2.2947 -2.1259 -2.1259 -1.7960 -1.7960 -1.7809 -1.7809 -1.6885 -1.6885 -1.6542 -1.6542 -1.6310 -1.6310 -1.3519 -1.3519 0.1561 0.1561 0.6721 0.6721 0.8994 0.8994 1.3029 1.3029 1.7237 1.7237 1.9310 1.9310 2.9508 2.9508 3.2158 3.2158 3.3036 3.3036 3.3882 3.3882 3.8428 3.8428 4.0556 4.0556 4.4485 4.4485 4.6258 4.6258 5.1192 5.1192 5.4537 5.4537 5.6832 5.6832 7.5961 7.5961 7.9221 7.9221 8.1314 8.1314 8.5843 8.5843 8.6449 8.6449 9.5336 9.5336 9.7428 9.7428 k = 0.5100 0.2129-0.5514 ( 6584 PWs) bands (ev): -9.2269 -9.2269 -7.9735 -7.9735 -7.1475 -7.1475 -6.8561 -6.8561 -6.8433 -6.8433 -6.7086 -6.7086 -4.6321 -4.6321 -2.9829 -2.9829 -2.4421 -2.4421 -2.4088 -2.4088 -2.2928 -2.2928 -2.1274 -2.1274 -1.7956 -1.7956 -1.7817 -1.7817 -1.6870 -1.6870 -1.6545 -1.6545 -1.6304 -1.6304 -1.3553 -1.3553 0.1491 0.1491 0.6717 0.6717 0.9020 0.9020 1.3092 1.3092 1.7508 1.7508 1.9067 1.9067 2.9882 2.9882 3.2092 3.2092 3.2780 3.2780 3.3756 3.3756 3.8477 3.8477 4.0476 4.0476 4.4528 4.4528 4.6179 4.6179 5.1163 5.1163 5.4562 5.4562 5.6808 5.6808 7.6025 7.6025 7.9270 7.9270 8.1434 8.1434 8.6025 8.6025 8.6307 8.6307 9.5396 9.5396 9.7298 9.7298 k = 0.5000 0.2343-0.5514 ( 6590 PWs) bands (ev): -9.2270 -9.2270 -7.9737 -7.9737 -7.1480 -7.1480 -6.8499 -6.8499 -6.8479 -6.8479 -6.7088 -6.7088 -4.6326 -4.6326 -2.9827 -2.9827 -2.4421 -2.4421 -2.4089 -2.4089 -2.2921 -2.2921 -2.1279 -2.1279 -1.7955 -1.7955 -1.7820 -1.7820 -1.6865 -1.6865 -1.6547 -1.6547 -1.6302 -1.6302 -1.3564 -1.3564 0.1468 0.1468 0.6715 0.6715 0.9029 0.9029 1.3113 1.3113 1.7619 1.7619 1.8965 1.8965 3.0033 3.0033 3.2047 3.2047 3.2687 3.2687 3.3717 3.3717 3.8494 3.8494 4.0449 4.0449 4.4543 4.4543 4.6152 4.6152 5.1153 5.1153 5.4570 5.4570 5.6800 5.6800 7.6046 7.6046 7.9287 7.9287 8.1477 8.1477 8.6164 8.6164 8.6181 8.6181 9.5417 9.5417 9.7254 9.7254 k = 0.5000 0.2343-0.5514 ( 6590 PWs) bands (ev): -9.2270 -9.2270 -7.9737 -7.9737 -7.1480 -7.1480 -6.8499 -6.8499 -6.8479 -6.8479 -6.7088 -6.7088 -4.6326 -4.6326 -2.9827 -2.9827 -2.4421 -2.4421 -2.4089 -2.4089 -2.2921 -2.2921 -2.1279 -2.1279 -1.7955 -1.7955 -1.7820 -1.7820 -1.6865 -1.6865 -1.6547 -1.6547 -1.6302 -1.6302 -1.3564 -1.3564 0.1468 0.1468 0.6715 0.6715 0.9029 0.9029 1.3113 1.3113 1.7619 1.7619 1.8965 1.8965 3.0033 3.0033 3.2047 3.2047 3.2687 3.2687 3.3717 3.3717 3.8494 3.8494 4.0449 4.0449 4.4543 4.4543 4.6152 4.6152 5.1153 5.1153 5.4570 5.4570 5.6800 5.6800 7.6046 7.6046 7.9287 7.9287 8.1477 8.1477 8.6164 8.6164 8.6181 8.6181 9.5417 9.5417 9.7254 9.7254 k = 0.5156 0.2416-0.5342 ( 6579 PWs) bands (ev): -9.2271 -9.2271 -7.9739 -7.9739 -7.1482 -7.1482 -6.8491 -6.8491 -6.8477 -6.8477 -6.7088 -6.7088 -4.6329 -4.6329 -2.9825 -2.9825 -2.4421 -2.4421 -2.4089 -2.4089 -2.2922 -2.2922 -2.1280 -2.1280 -1.7958 -1.7958 -1.7818 -1.7818 -1.6865 -1.6865 -1.6547 -1.6547 -1.6303 -1.6303 -1.3567 -1.3567 0.1466 0.1466 0.6716 0.6716 0.9016 0.9016 1.3117 1.3117 1.7631 1.7631 1.8967 1.8967 3.0009 3.0009 3.1997 3.1997 3.2752 3.2752 3.3746 3.3746 3.8488 3.8488 4.0463 4.0463 4.4448 4.4448 4.6221 4.6221 5.1157 5.1157 5.4569 5.4569 5.6787 5.6787 7.6063 7.6063 7.9277 7.9277 8.1489 8.1489 8.6111 8.6111 8.6235 8.6235 9.5362 9.5362 9.7299 9.7299 k = 0.5312 0.2489-0.5169 ( 6576 PWs) bands (ev): -9.2273 -9.2273 -7.9746 -7.9746 -7.1488 -7.1488 -6.8477 -6.8477 -6.8462 -6.8462 -6.7090 -6.7090 -4.6339 -4.6339 -2.9820 -2.9820 -2.4422 -2.4422 -2.4088 -2.4088 -2.2924 -2.2924 -2.1282 -2.1282 -1.7964 -1.7964 -1.7813 -1.7813 -1.6866 -1.6866 -1.6546 -1.6546 -1.6304 -1.6304 -1.3577 -1.3577 0.1460 0.1460 0.6719 0.6719 0.8980 0.8980 1.3129 1.3129 1.7665 1.7665 1.8972 1.8972 2.9939 2.9939 3.1890 3.1890 3.2895 3.2895 3.3836 3.3836 3.8471 3.8471 4.0504 4.0504 4.4204 4.4204 4.6391 4.6391 5.1167 5.1167 5.4563 5.4563 5.6749 5.6749 7.6111 7.6111 7.9250 7.9250 8.1520 8.1520 8.6056 8.6056 8.6296 8.6296 9.5212 9.5212 9.7421 9.7421 k = 0.5468 0.2563-0.4997 ( 6577 PWs) bands (ev): -9.2277 -9.2277 -7.9757 -7.9757 -7.1497 -7.1497 -6.8467 -6.8467 -6.8425 -6.8425 -6.7092 -6.7092 -4.6356 -4.6356 -2.9812 -2.9812 -2.4422 -2.4422 -2.4087 -2.4087 -2.2927 -2.2927 -2.1286 -2.1286 -1.7973 -1.7973 -1.7805 -1.7805 -1.6867 -1.6867 -1.6546 -1.6546 -1.6306 -1.6306 -1.3593 -1.3593 0.1451 0.1451 0.6723 0.6723 0.8921 0.8921 1.3145 1.3145 1.7722 1.7722 1.8981 1.8981 2.9830 2.9830 3.1779 3.1779 3.3056 3.3056 3.3989 3.3989 3.8445 3.8445 4.0569 4.0569 4.3879 4.3879 4.6599 4.6599 5.1180 5.1180 5.4551 5.4551 5.6691 5.6691 7.6191 7.6191 7.9211 7.9211 8.1565 8.1565 8.6007 8.6007 8.6354 8.6354 9.4994 9.4994 9.7593 9.7593 k = 0.5624 0.2636-0.4824 ( 6578 PWs) bands (ev): -9.2283 -9.2283 -7.9773 -7.9773 -7.1507 -7.1507 -6.8456 -6.8456 -6.8372 -6.8372 -6.7095 -6.7095 -4.6379 -4.6379 -2.9801 -2.9801 -2.4423 -2.4423 -2.4086 -2.4086 -2.2932 -2.2932 -2.1292 -2.1292 -1.7985 -1.7985 -1.7796 -1.7796 -1.6870 -1.6870 -1.6545 -1.6545 -1.6309 -1.6309 -1.3616 -1.3616 0.1439 0.1439 0.6726 0.6726 0.8845 0.8845 1.3161 1.3161 1.7803 1.7803 1.8991 1.8991 2.9690 2.9690 3.1687 3.1687 3.3206 3.3206 3.4202 3.4202 3.8413 3.8413 4.0652 4.0652 4.3518 4.3518 4.6808 4.6808 5.1193 5.1193 5.4527 5.4527 5.6618 5.6618 7.6304 7.6304 7.9165 7.9165 8.1617 8.1617 8.5966 8.5966 8.6410 8.6410 9.4735 9.4735 9.7792 9.7792 k = 0.5780 0.2709-0.4652 ( 6572 PWs) bands (ev): -9.2291 -9.2291 -7.9791 -7.9791 -7.1518 -7.1518 -6.8441 -6.8441 -6.8307 -6.8307 -6.7099 -6.7099 -4.6409 -4.6409 -2.9786 -2.9786 -2.4424 -2.4424 -2.4084 -2.4084 -2.2937 -2.2937 -2.1299 -2.1299 -1.7999 -1.7999 -1.7785 -1.7785 -1.6872 -1.6872 -1.6544 -1.6544 -1.6313 -1.6313 -1.3644 -1.3644 0.1424 0.1424 0.6726 0.6726 0.8756 0.8756 1.3174 1.3174 1.7909 1.7909 1.9001 1.9001 2.9530 2.9530 3.1620 3.1620 3.3337 3.3337 3.4464 3.4464 3.8376 3.8376 4.0743 4.0743 4.3153 4.3153 4.7003 4.7003 5.1201 5.1201 5.4486 5.4486 5.6537 5.6537 7.6447 7.6447 7.9119 7.9119 8.1667 8.1667 8.5936 8.5936 8.6465 8.6465 9.4452 9.4452 9.8003 9.8003 k = 0.5936 0.2782-0.4479 ( 6567 PWs) bands (ev): -9.2301 -9.2301 -7.9813 -7.9813 -7.1528 -7.1528 -6.8423 -6.8423 -6.8232 -6.8232 -6.7105 -6.7105 -4.6445 -4.6445 -2.9768 -2.9768 -2.4425 -2.4425 -2.4081 -2.4081 -2.2944 -2.2944 -2.1308 -2.1308 -1.8013 -1.8013 -1.7775 -1.7775 -1.6876 -1.6876 -1.6543 -1.6543 -1.6317 -1.6317 -1.3679 -1.3679 0.1409 0.1409 0.6722 0.6722 0.8658 0.8658 1.3177 1.3177 1.8038 1.8038 1.9013 1.9013 2.9358 2.9358 3.1582 3.1582 3.3453 3.3453 3.4758 3.4758 3.8337 3.8337 4.0830 4.0830 4.2808 4.2808 4.7178 4.7178 5.1200 5.1200 5.4424 5.4424 5.6455 5.6455 7.6620 7.6620 7.9078 7.9078 8.1710 8.1710 8.5913 8.5913 8.6521 8.6521 9.4160 9.4160 9.8218 9.8218 k = 0.6091 0.2855-0.4307 ( 6571 PWs) bands (ev): -9.2314 -9.2314 -7.9837 -7.9837 -7.1536 -7.1536 -6.8401 -6.8401 -6.8149 -6.8149 -6.7111 -6.7111 -4.6490 -4.6490 -2.9747 -2.9747 -2.4427 -2.4427 -2.4079 -2.4079 -2.2952 -2.2952 -2.1318 -2.1318 -1.8029 -1.8029 -1.7764 -1.7764 -1.6879 -1.6879 -1.6542 -1.6542 -1.6322 -1.6322 -1.3719 -1.3719 0.1392 0.1392 0.6709 0.6709 0.8556 0.8556 1.3168 1.3168 1.8187 1.8187 1.9026 1.9026 2.9183 2.9183 3.1572 3.1572 3.3555 3.3555 3.5070 3.5070 3.8299 3.8299 4.0885 4.0885 4.2517 4.2517 4.7332 4.7332 5.1188 5.1188 5.4337 5.4337 5.6375 5.6375 7.6820 7.6820 7.9044 7.9044 8.1740 8.1740 8.5898 8.5898 8.6583 8.6583 9.3867 9.3867 9.8432 9.8432 k = 0.6247 0.2928-0.4135 ( 6576 PWs) bands (ev): -9.2329 -9.2329 -7.9862 -7.9862 -7.1540 -7.1540 -6.8376 -6.8376 -6.8060 -6.8060 -6.7119 -6.7119 -4.6542 -4.6542 -2.9723 -2.9723 -2.4428 -2.4428 -2.4075 -2.4075 -2.2960 -2.2960 -2.1330 -2.1330 -1.8045 -1.8045 -1.7752 -1.7752 -1.6884 -1.6884 -1.6540 -1.6540 -1.6327 -1.6327 -1.3765 -1.3765 0.1374 0.1374 0.6687 0.6687 0.8455 0.8455 1.3144 1.3144 1.8346 1.8346 1.9050 1.9050 2.9009 2.9009 3.1591 3.1591 3.3647 3.3647 3.5387 3.5387 3.8263 3.8263 4.0873 4.0873 4.2323 4.2323 4.7466 4.7466 5.1164 5.1164 5.4227 5.4227 5.6300 5.6300 7.7041 7.7041 7.9021 7.9021 8.1756 8.1756 8.5886 8.5886 8.6655 8.6655 9.3584 9.3584 9.8639 9.8639 k = 0.6403 0.3001-0.3962 ( 6568 PWs) bands (ev): -9.2348 -9.2348 -7.9888 -7.9888 -7.1538 -7.1538 -6.8348 -6.8348 -6.7966 -6.7966 -6.7128 -6.7128 -4.6601 -4.6601 -2.9696 -2.9696 -2.4430 -2.4430 -2.4072 -2.4072 -2.2970 -2.2970 -2.1344 -2.1344 -1.8061 -1.8061 -1.7741 -1.7741 -1.6888 -1.6888 -1.6539 -1.6539 -1.6331 -1.6331 -1.3816 -1.3816 0.1357 0.1357 0.6652 0.6652 0.8359 0.8359 1.3103 1.3103 1.8493 1.8493 1.9103 1.9103 2.8841 2.8841 3.1638 3.1638 3.3729 3.3729 3.5699 3.5699 3.8232 3.8232 4.0766 4.0766 4.2260 4.2260 4.7583 4.7583 5.1130 5.1130 5.4099 5.4099 5.6226 5.6226 7.7275 7.7275 7.9010 7.9010 8.1759 8.1759 8.5876 8.5876 8.6741 8.6741 9.3317 9.3317 9.8836 9.8836 k = 0.6403 0.3001-0.3962 ( 6568 PWs) bands (ev): -9.2348 -9.2348 -7.9888 -7.9888 -7.1538 -7.1538 -6.8348 -6.8348 -6.7966 -6.7966 -6.7128 -6.7128 -4.6601 -4.6601 -2.9696 -2.9696 -2.4430 -2.4430 -2.4072 -2.4072 -2.2970 -2.2970 -2.1344 -2.1344 -1.8061 -1.8061 -1.7741 -1.7741 -1.6888 -1.6888 -1.6539 -1.6539 -1.6331 -1.6331 -1.3816 -1.3816 0.1357 0.1357 0.6652 0.6652 0.8359 0.8359 1.3103 1.3103 1.8493 1.8493 1.9103 1.9103 2.8841 2.8841 3.1638 3.1638 3.3729 3.3729 3.5699 3.5699 3.8232 3.8232 4.0766 4.0766 4.2260 4.2260 4.7583 4.7583 5.1130 5.1130 5.4099 5.4099 5.6226 5.6226 7.7275 7.7275 7.9010 7.9010 8.1759 8.1759 8.5876 8.5876 8.6741 8.6741 9.3317 9.3317 9.8836 9.8836 k = 0.6345 0.2974-0.3732 ( 6573 PWs) bands (ev): -9.2377 -9.2377 -7.9976 -7.9976 -7.1435 -7.1435 -6.8327 -6.8327 -6.7884 -6.7884 -6.7096 -6.7096 -4.6681 -4.6681 -2.9636 -2.9636 -2.4430 -2.4430 -2.4064 -2.4064 -2.2985 -2.2985 -2.1376 -2.1376 -1.8090 -1.8090 -1.7720 -1.7720 -1.6899 -1.6899 -1.6542 -1.6542 -1.6333 -1.6333 -1.3948 -1.3948 0.1289 0.1289 0.6640 0.6640 0.8226 0.8226 1.2876 1.2876 1.8660 1.8660 1.9529 1.9529 2.8753 2.8753 3.1541 3.1541 3.3977 3.3977 3.5814 3.5814 3.8463 3.8463 4.0381 4.0381 4.2170 4.2170 4.7483 4.7483 5.1193 5.1193 5.3941 5.3941 5.6016 5.6016 7.7558 7.7558 7.9099 7.9099 8.1814 8.1814 8.6006 8.6006 8.7078 8.7078 9.3322 9.3322 9.8901 9.8901 k = 0.6286 0.2946-0.3503 ( 6573 PWs) bands (ev): -9.2415 -9.2415 -8.0069 -8.0069 -7.1311 -7.1311 -6.8303 -6.8303 -6.7791 -6.7791 -6.7056 -6.7056 -4.6782 -4.6782 -2.9565 -2.9565 -2.4431 -2.4431 -2.4054 -2.4054 -2.3003 -2.3003 -2.1415 -2.1415 -1.8120 -1.8120 -1.7699 -1.7699 -1.6911 -1.6911 -1.6546 -1.6546 -1.6334 -1.6334 -1.4097 -1.4097 0.1202 0.1202 0.6632 0.6632 0.8105 0.8105 1.2636 1.2636 1.8578 1.8578 2.0227 2.0227 2.8647 2.8647 3.1502 3.1502 3.4138 3.4138 3.5937 3.5937 3.8678 3.8678 4.0067 4.0067 4.2121 4.2121 4.7404 4.7404 5.1250 5.1250 5.3719 5.3719 5.5808 5.5808 7.7832 7.7832 7.9167 7.9167 8.1902 8.1902 8.6153 8.6153 8.7497 8.7497 9.3334 9.3334 9.8917 9.8917 k = 0.6228 0.2919-0.3273 ( 6562 PWs) bands (ev): -9.2460 -9.2460 -8.0168 -8.0168 -7.1169 -7.1169 -6.8278 -6.8278 -6.7689 -6.7689 -6.7009 -6.7009 -4.6903 -4.6903 -2.9483 -2.9483 -2.4431 -2.4431 -2.4044 -2.4044 -2.3023 -2.3023 -2.1461 -2.1461 -1.8149 -1.8149 -1.7679 -1.7679 -1.6924 -1.6924 -1.6553 -1.6553 -1.6336 -1.6336 -1.4260 -1.4260 0.1096 0.1096 0.6630 0.6630 0.8005 0.8005 1.2395 1.2395 1.8412 1.8412 2.1004 2.1004 2.8517 2.8517 3.1524 3.1524 3.4218 3.4218 3.6032 3.6032 3.8856 3.8856 3.9873 3.9873 4.2119 4.2119 4.7354 4.7354 5.1298 5.1298 5.3436 5.3436 5.5615 5.5615 7.8070 7.8070 7.9212 7.9212 8.2042 8.2042 8.6292 8.6292 8.7993 8.7993 9.3357 9.3357 9.8894 9.8894 k = 0.6169 0.2891-0.3043 ( 6564 PWs) bands (ev): -9.2513 -9.2513 -8.0270 -8.0270 -7.1010 -7.1010 -6.8250 -6.8250 -6.7581 -6.7581 -6.6956 -6.6956 -4.7044 -4.7044 -2.9391 -2.9391 -2.4431 -2.4431 -2.4032 -2.4032 -2.3046 -2.3046 -2.1515 -2.1515 -1.8178 -1.8178 -1.7659 -1.7659 -1.6939 -1.6939 -1.6562 -1.6562 -1.6338 -1.6338 -1.4435 -1.4435 0.0972 0.0972 0.6641 0.6641 0.7931 0.7931 1.2160 1.2160 1.8191 1.8191 2.1809 2.1809 2.8358 2.8358 3.1602 3.1602 3.4238 3.4238 3.6064 3.6064 3.8924 3.8924 3.9896 3.9896 4.2168 4.2168 4.7336 4.7336 5.1335 5.1335 5.3106 5.3106 5.5441 5.5441 7.8247 7.8247 7.9235 7.9235 8.2243 8.2243 8.6408 8.6408 8.8545 8.8545 9.3399 9.3399 9.8848 9.8848 k = 0.6111 0.2864-0.2813 ( 6572 PWs) bands (ev): -9.2570 -9.2570 -8.0375 -8.0375 -7.0836 -7.0836 -6.8221 -6.8221 -6.7466 -6.7466 -6.6898 -6.6898 -4.7201 -4.7201 -2.9288 -2.9288 -2.4431 -2.4431 -2.4019 -2.4019 -2.3072 -2.3072 -2.1579 -2.1579 -1.8205 -1.8205 -1.7640 -1.7640 -1.6955 -1.6955 -1.6574 -1.6574 -1.6342 -1.6342 -1.4616 -1.4616 0.0831 0.0831 0.6666 0.6666 0.7888 0.7888 1.1932 1.1932 1.7923 1.7923 2.2617 2.2617 2.8167 2.8167 3.1732 3.1732 3.4215 3.4215 3.6018 3.6018 3.8853 3.8853 4.0174 4.0174 4.2269 4.2269 4.7348 4.7348 5.1355 5.1355 5.2747 5.2747 5.5289 5.5289 7.8349 7.8349 7.9244 7.9244 8.2502 8.2502 8.6494 8.6494 8.9114 8.9114 9.3473 9.3473 9.8799 9.8799 k = 0.6053 0.2837-0.2584 ( 6568 PWs) bands (ev): -9.2633 -9.2633 -8.0481 -8.0481 -7.0650 -7.0650 -6.8189 -6.8189 -6.7348 -6.7348 -6.6834 -6.6834 -4.7374 -4.7374 -2.9176 -2.9176 -2.4430 -2.4430 -2.4005 -2.4005 -2.3099 -2.3099 -2.1651 -2.1651 -1.8230 -1.8230 -1.7621 -1.7621 -1.6972 -1.6972 -1.6590 -1.6590 -1.6348 -1.6348 -1.4801 -1.4801 0.0675 0.0675 0.6709 0.6709 0.7876 0.7876 1.1715 1.1715 1.7615 1.7615 2.3398 2.3398 2.7955 2.7955 3.1906 3.1906 3.4164 3.4164 3.5910 3.5910 3.8714 3.8714 4.0619 4.0619 4.2425 4.2425 4.7383 4.7383 5.1343 5.1343 5.2387 5.2387 5.5160 5.5160 7.8377 7.8377 7.9240 7.9240 8.2807 8.2807 8.6546 8.6546 8.9651 8.9651 9.3605 9.3605 9.8763 9.8763 k = 0.5994 0.2809-0.2354 ( 6566 PWs) bands (ev): -9.2699 -9.2699 -8.0587 -8.0587 -7.0452 -7.0452 -6.8157 -6.8157 -6.7226 -6.7226 -6.6766 -6.6766 -4.7561 -4.7561 -2.9055 -2.9055 -2.4429 -2.4429 -2.3991 -2.3991 -2.3129 -2.3129 -2.1734 -2.1734 -1.8252 -1.8252 -1.7603 -1.7603 -1.6990 -1.6990 -1.6610 -1.6610 -1.6357 -1.6357 -1.4984 -1.4984 0.0507 0.0507 0.6772 0.6772 0.7896 0.7896 1.1508 1.1508 1.7274 1.7274 2.4104 2.4104 2.7754 2.7754 3.2113 3.2113 3.4090 3.4090 3.5773 3.5773 3.8553 3.8553 4.1157 4.1157 4.2641 4.2641 4.7433 4.7433 5.1266 5.1266 5.2072 5.2072 5.5057 5.5057 7.8345 7.8345 7.9220 7.9220 8.3133 8.3133 8.6560 8.6560 9.0098 9.0098 9.3826 9.3826 9.8756 9.8756 k = 0.5936 0.2782-0.2124 ( 6561 PWs) bands (ev): -9.2768 -9.2768 -8.0693 -8.0693 -7.0245 -7.0245 -6.8124 -6.8124 -6.7103 -6.7103 -6.6694 -6.6694 -4.7758 -4.7758 -2.8925 -2.8925 -2.4428 -2.4428 -2.3976 -2.3976 -2.3160 -2.3160 -2.1827 -2.1827 -1.8272 -1.8272 -1.7586 -1.7586 -1.7008 -1.7008 -1.6633 -1.6633 -1.6372 -1.6372 -1.5161 -1.5161 0.0330 0.0330 0.6854 0.6854 0.7946 0.7946 1.1314 1.1314 1.6906 1.6906 2.4646 2.4646 2.7650 2.7650 3.2341 3.2341 3.3993 3.3993 3.5642 3.5642 3.8383 3.8383 4.1738 4.1738 4.2932 4.2932 4.7484 4.7484 5.1072 5.1072 5.1864 5.1864 5.4985 5.4985 7.8269 7.8269 7.9175 7.9175 8.3459 8.3459 8.6535 8.6535 9.0411 9.0411 9.4163 9.4163 9.8786 9.8786 k = 0.5877 0.2754-0.1894 ( 6555 PWs) bands (ev): -9.2838 -9.2838 -8.0798 -8.0798 -7.0032 -7.0032 -6.8090 -6.8090 -6.6980 -6.6980 -6.6620 -6.6620 -4.7964 -4.7964 -2.8788 -2.8788 -2.4426 -2.4426 -2.3961 -2.3961 -2.3193 -2.3193 -2.1931 -2.1931 -1.8289 -1.8289 -1.7571 -1.7571 -1.7027 -1.7027 -1.6659 -1.6659 -1.6395 -1.6395 -1.5325 -1.5325 0.0148 0.0148 0.6957 0.6957 0.8025 0.8025 1.1134 1.1134 1.6520 1.6520 2.4883 2.4883 2.7775 2.7775 3.2575 3.2575 3.3868 3.3868 3.5546 3.5546 3.8209 3.8209 4.2309 4.2309 4.3327 4.3327 4.7525 4.7525 5.0766 5.0766 5.1771 5.1771 5.4948 5.4948 7.8163 7.8163 7.9099 7.9099 8.3761 8.3761 8.6468 8.6468 9.0582 9.0582 9.4611 9.4611 9.8855 9.8855 k = 0.5819 0.2727-0.1665 ( 6555 PWs) bands (ev): -9.2909 -9.2909 -8.0899 -8.0899 -6.9814 -6.9814 -6.8056 -6.8056 -6.6859 -6.6859 -6.6544 -6.6544 -4.8177 -4.8177 -2.8644 -2.8644 -2.4424 -2.4424 -2.3947 -2.3947 -2.3227 -2.3227 -2.2045 -2.2045 -1.8303 -1.8303 -1.7557 -1.7557 -1.7046 -1.7046 -1.6690 -1.6690 -1.6427 -1.6427 -1.5470 -1.5470 -0.0035 -0.0035 0.7077 0.7077 0.8127 0.8127 1.0973 1.0973 1.6123 1.6123 2.4764 2.4764 2.8185 2.8185 3.2800 3.2800 3.3715 3.3715 3.5504 3.5504 3.8037 3.8037 4.2823 4.2823 4.3851 4.3851 4.7541 4.7541 5.0415 5.0415 5.1741 5.1741 5.4951 5.4951 7.8033 7.8033 7.8986 7.8986 8.4022 8.4022 8.6359 8.6359 9.0639 9.0639 9.5134 9.5134 9.8956 9.8956 k = 0.5760 0.2700-0.1435 ( 6547 PWs) bands (ev): -9.2980 -9.2980 -8.0998 -8.0998 -6.9595 -6.9595 -6.8023 -6.8023 -6.6739 -6.6739 -6.6467 -6.6467 -4.8393 -4.8393 -2.8493 -2.8493 -2.4421 -2.4421 -2.3934 -2.3934 -2.3262 -2.3262 -2.2169 -2.2169 -1.8313 -1.8313 -1.7546 -1.7546 -1.7066 -1.7066 -1.6724 -1.6724 -1.6472 -1.6472 -1.5590 -1.5590 -0.0216 -0.0216 0.7214 0.7214 0.8249 0.8249 1.0833 1.0833 1.5722 1.5722 2.4390 2.4390 2.8779 2.8779 3.2989 3.2989 3.3552 3.3552 3.5522 3.5522 3.7875 3.7875 4.3280 4.3280 4.4482 4.4482 4.7520 4.7520 5.0062 5.0062 5.1750 5.1750 5.4995 5.4995 7.7882 7.7882 7.8831 7.8831 8.4229 8.4229 8.6206 8.6206 9.0626 9.0626 9.5684 9.5684 9.9074 9.9074 k = 0.5702 0.2672-0.1205 ( 6543 PWs) bands (ev): -9.3049 -9.3049 -8.1092 -8.1092 -6.9377 -6.9377 -6.7990 -6.7990 -6.6623 -6.6623 -6.6390 -6.6390 -4.8610 -4.8610 -2.8338 -2.8338 -2.4417 -2.4417 -2.3923 -2.3923 -2.3299 -2.3299 -2.2302 -2.2302 -1.8318 -1.8318 -1.7539 -1.7539 -1.7086 -1.7086 -1.6763 -1.6763 -1.6529 -1.6529 -1.5683 -1.5683 -0.0393 -0.0393 0.7363 0.7363 0.8384 0.8384 1.0720 1.0720 1.5324 1.5324 2.3876 2.3876 2.9446 2.9446 3.3080 3.3080 3.3435 3.3435 3.5599 3.5599 3.7732 3.7732 4.3710 4.3710 4.5157 4.5157 4.7455 4.7455 4.9733 4.9733 5.1801 5.1801 5.5075 5.5075 7.7708 7.7708 7.8632 7.8632 8.4377 8.4377 8.6013 8.6013 9.0580 9.0580 9.6222 9.6222 9.9190 9.9190 k = 0.5643 0.2645-0.0975 ( 6545 PWs) bands (ev): -9.3116 -9.3116 -8.1181 -8.1181 -6.9163 -6.9163 -6.7958 -6.7958 -6.6513 -6.6513 -6.6315 -6.6315 -4.8825 -4.8825 -2.8178 -2.8178 -2.4412 -2.4412 -2.3914 -2.3914 -2.3337 -2.3337 -2.2442 -2.2442 -1.8320 -1.8320 -1.7537 -1.7537 -1.7107 -1.7107 -1.6807 -1.6807 -1.6593 -1.6593 -1.5749 -1.5749 -0.0561 -0.0561 0.7522 0.7522 0.8523 0.8523 1.0643 1.0643 1.4934 1.4934 2.3285 2.3285 3.0125 3.0125 3.2992 3.2992 3.3447 3.3447 3.5731 3.5731 3.7617 3.7617 4.4127 4.4127 4.5809 4.5809 4.7352 4.7352 4.9450 4.9450 5.1908 5.1908 5.5186 5.5186 7.7509 7.7509 7.8387 7.8387 8.4466 8.4466 8.5786 8.5786 9.0522 9.0522 9.6721 9.6721 9.9275 9.9275 k = 0.5585 0.2617-0.0746 ( 6546 PWs) bands (ev): -9.3181 -9.3181 -8.1264 -8.1264 -6.8954 -6.8954 -6.7928 -6.7928 -6.6408 -6.6408 -6.6241 -6.6241 -4.9035 -4.9035 -2.8015 -2.8015 -2.4406 -2.4406 -2.3907 -2.3907 -2.3376 -2.3376 -2.2587 -2.2587 -1.8318 -1.8318 -1.7543 -1.7543 -1.7128 -1.7128 -1.6854 -1.6854 -1.6657 -1.6657 -1.5793 -1.5793 -0.0720 -0.0720 0.7687 0.7687 0.8654 0.8654 1.0613 1.0613 1.4558 1.4558 2.2652 2.2652 3.0778 3.0778 3.2824 3.2824 3.3494 3.3494 3.5910 3.5910 3.7538 3.7538 4.4527 4.4527 4.6341 4.6341 4.7253 4.7253 4.9241 4.9241 5.2088 5.2088 5.5323 5.5323 7.7280 7.7280 7.8094 7.8094 8.4503 8.4503 8.5536 8.5536 9.0460 9.0460 9.7167 9.7167 9.9305 9.9305 k = 0.5526 0.2590-0.0516 ( 6534 PWs) bands (ev): -9.3241 -9.3241 -8.1342 -8.1342 -6.8755 -6.8755 -6.7900 -6.7900 -6.6310 -6.6310 -6.6171 -6.6171 -4.9237 -4.9237 -2.7852 -2.7852 -2.4399 -2.4399 -2.3904 -2.3904 -2.3419 -2.3419 -2.2732 -2.2732 -1.8311 -1.8311 -1.7558 -1.7558 -1.7148 -1.7148 -1.6902 -1.6902 -1.6715 -1.6715 -1.5819 -1.5819 -0.0868 -0.0868 0.7853 0.7853 0.8763 0.8763 1.0640 1.0640 1.4202 1.4202 2.2000 2.2000 3.1371 3.1371 3.2662 3.2662 3.3514 3.3514 3.6129 3.6129 3.7501 3.7501 4.4885 4.4885 4.6546 4.6546 4.7324 4.7324 4.9145 4.9145 5.2354 5.2354 5.5477 5.5477 7.7017 7.7017 7.7755 7.7755 8.4498 8.4498 8.5278 8.5278 9.0397 9.0397 9.7552 9.7552 9.9286 9.9286 k = 0.5468 0.2563-0.0286 ( 6535 PWs) bands (ev): -9.3297 -9.3297 -8.1412 -8.1412 -6.8567 -6.8567 -6.7874 -6.7874 -6.6220 -6.6220 -6.6105 -6.6105 -4.9428 -4.9428 -2.7688 -2.7688 -2.4391 -2.4391 -2.3905 -2.3905 -2.3466 -2.3466 -2.2871 -2.2871 -1.8301 -1.8301 -1.7584 -1.7584 -1.7166 -1.7166 -1.6948 -1.6948 -1.6765 -1.6765 -1.5833 -1.5833 -0.1002 -0.1002 0.8018 0.8018 0.8840 0.8840 1.0732 1.0732 1.3870 1.3870 2.1343 2.1343 3.1835 3.1835 3.2567 3.2567 3.3516 3.3516 3.6374 3.6374 3.7509 3.7509 4.5165 4.5165 4.6406 4.6406 4.7560 4.7560 4.9203 4.9203 5.2709 5.2709 5.5644 5.5644 7.6721 7.6721 7.7374 7.7374 8.4463 8.4463 8.5026 8.5026 9.0328 9.0328 9.7877 9.7877 9.9256 9.9256 k = 0.5409 0.2535-0.0056 ( 6540 PWs) bands (ev): -9.3347 -9.3347 -8.1476 -8.1476 -6.8393 -6.8393 -6.7850 -6.7850 -6.6139 -6.6139 -6.6044 -6.6044 -4.9605 -4.9605 -2.7528 -2.7528 -2.4382 -2.4382 -2.3912 -2.3912 -2.3522 -2.3522 -2.2998 -2.2998 -1.8286 -1.8286 -1.7623 -1.7623 -1.7180 -1.7180 -1.6988 -1.6988 -1.6808 -1.6808 -1.5840 -1.5840 -0.1123 -0.1123 0.8178 0.8178 0.8885 0.8885 1.0884 1.0884 1.3568 1.3568 2.0696 2.0696 3.2012 3.2012 3.2652 3.2652 3.3551 3.3551 3.6631 3.6631 3.7561 3.7561 4.5323 4.5323 4.6154 4.6154 4.7774 4.7774 4.9403 4.9403 5.3137 5.3137 5.5823 5.5823 7.6398 7.6398 7.6960 7.6960 8.4410 8.4410 8.4795 8.4795 9.0253 9.0253 9.8150 9.8150 9.9244 9.9244 k = 0.5351 0.2508 0.0173 ( 6534 PWs) bands (ev): -9.3392 -9.3392 -8.1532 -8.1532 -6.8237 -6.8237 -6.7828 -6.7828 -6.6068 -6.6068 -6.5989 -6.5989 -4.9766 -4.9766 -2.7373 -2.7373 -2.4372 -2.4372 -2.3926 -2.3926 -2.3586 -2.3586 -2.3104 -2.3104 -1.8268 -1.8268 -1.7671 -1.7671 -1.7189 -1.7189 -1.7021 -1.7021 -1.6845 -1.6845 -1.5841 -1.5841 -0.1229 -0.1229 0.8327 0.8327 0.8901 0.8901 1.1084 1.1084 1.3303 1.3303 2.0072 2.0072 3.1961 3.1961 3.2787 3.2787 3.3698 3.3698 3.6886 3.6886 3.7655 3.7655 4.5339 4.5339 4.5880 4.5880 4.7971 4.7971 4.9679 4.9679 5.3603 5.3603 5.6015 5.6015 7.6056 7.6056 7.6527 7.6527 8.4348 8.4348 8.4593 8.4593 9.0172 9.0172 9.8383 9.8383 9.9255 9.9255 k = 0.5292 0.2480 0.0403 ( 6536 PWs) bands (ev): -9.3431 -9.3431 -8.1579 -8.1579 -6.8099 -6.8099 -6.7810 -6.7810 -6.6008 -6.6008 -6.5939 -6.5939 -4.9907 -4.9907 -2.7227 -2.7227 -2.4361 -2.4361 -2.3953 -2.3953 -2.3655 -2.3655 -2.3185 -2.3185 -1.8246 -1.8246 -1.7724 -1.7724 -1.7192 -1.7192 -1.7048 -1.7048 -1.6875 -1.6875 -1.5840 -1.5840 -0.1319 -0.1319 0.8462 0.8462 0.8900 0.8900 1.1309 1.1309 1.3081 1.3081 1.9484 1.9484 3.1863 3.1863 3.2802 3.2802 3.3953 3.3953 3.7127 3.7127 3.7786 3.7786 4.5229 4.5229 4.5621 4.5621 4.8170 4.8170 4.9977 4.9977 5.4058 5.4058 5.6225 5.6225 7.5711 7.5711 7.6094 7.6094 8.4284 8.4284 8.4428 8.4428 9.0091 9.0091 9.8590 9.8590 9.9282 9.9282 k = 0.5234 0.2453 0.0633 ( 6537 PWs) bands (ev): -9.3464 -9.3464 -8.1619 -8.1619 -6.7983 -6.7983 -6.7794 -6.7794 -6.5959 -6.5959 -6.5897 -6.5897 -5.0026 -5.0026 -2.7095 -2.7095 -2.4347 -2.4347 -2.3997 -2.3997 -2.3718 -2.3718 -2.3242 -2.3242 -1.8222 -1.8222 -1.7779 -1.7779 -1.7190 -1.7190 -1.7072 -1.7072 -1.6900 -1.6900 -1.5836 -1.5836 -0.1394 -0.1394 0.8578 0.8578 0.8892 0.8892 1.1531 1.1531 1.2914 1.2914 1.8948 1.8948 3.1769 3.1769 3.2750 3.2750 3.4222 3.4222 3.7343 3.7343 3.7939 3.7939 4.5043 4.5043 4.5393 4.5393 4.8357 4.8357 5.0266 5.0266 5.4453 5.4453 5.6456 5.6456 7.5381 7.5381 7.5686 7.5686 8.4217 8.4217 8.4307 8.4307 9.0014 9.0014 9.8781 9.8781 9.9311 9.9311 k = 0.5175 0.2426 0.0863 ( 6546 PWs) bands (ev): -9.3489 -9.3489 -8.1650 -8.1650 -6.7891 -6.7891 -6.7781 -6.7781 -6.5922 -6.5922 -6.5862 -6.5862 -5.0121 -5.0121 -2.6983 -2.6983 -2.4331 -2.4331 -2.4058 -2.4058 -2.3763 -2.3763 -2.3280 -2.3280 -1.8196 -1.8196 -1.7832 -1.7832 -1.7185 -1.7185 -1.7092 -1.7092 -1.6919 -1.6919 -1.5833 -1.5833 -0.1452 -0.1452 0.8669 0.8669 0.8885 0.8885 1.1716 1.1716 1.2814 1.2814 1.8486 1.8486 3.1691 3.1691 3.2681 3.2681 3.4448 3.4448 3.7526 3.7526 3.8095 3.8095 4.4840 4.4840 4.5198 4.5198 4.8513 4.8513 5.0525 5.0525 5.4754 5.4754 5.6696 5.6696 7.5085 7.5085 7.5335 7.5335 8.4145 8.4145 8.4234 8.4234 8.9947 8.9947 9.8955 9.8955 9.9340 9.9340 k = 0.5117 0.2398 0.1092 ( 6547 PWs) bands (ev): -9.3508 -9.3508 -8.1672 -8.1672 -6.7826 -6.7826 -6.7771 -6.7771 -6.5895 -6.5895 -6.5836 -6.5836 -5.0190 -5.0190 -2.6895 -2.6895 -2.4311 -2.4311 -2.4126 -2.4126 -2.3790 -2.3790 -2.3303 -2.3303 -1.8170 -1.8170 -1.7877 -1.7877 -1.7176 -1.7176 -1.7110 -1.7110 -1.6933 -1.6933 -1.5830 -1.5830 -0.1494 -0.1494 0.8727 0.8727 0.8887 0.8887 1.1837 1.1837 1.2787 1.2787 1.8123 1.8123 3.1634 3.1634 3.2621 3.2621 3.4613 3.4613 3.7670 3.7670 3.8229 3.8229 4.4666 4.4666 4.5045 4.5045 4.8627 4.8627 5.0732 5.0732 5.4954 5.4954 5.6915 5.6915 7.4844 7.4844 7.5069 7.5069 8.4084 8.4084 8.4194 8.4194 8.9896 8.9896 9.9098 9.9098 9.9375 9.9375 k = 0.5058 0.2371 0.1322 ( 6544 PWs) bands (ev): -9.3519 -9.3519 -8.1685 -8.1685 -6.7791 -6.7791 -6.7760 -6.7760 -6.5880 -6.5880 -6.5820 -6.5820 -5.0232 -5.0232 -2.6840 -2.6840 -2.4284 -2.4284 -2.4188 -2.4188 -2.3804 -2.3804 -2.3316 -2.3316 -1.8150 -1.8150 -1.7910 -1.7910 -1.7166 -1.7166 -1.7126 -1.7126 -1.6941 -1.6941 -1.5828 -1.5828 -0.1519 -0.1519 0.8755 0.8755 0.8897 0.8897 1.1891 1.1891 1.2804 1.2804 1.7887 1.7887 3.1599 3.1599 3.2581 3.2581 3.4713 3.4713 3.7762 3.7762 3.8319 3.8319 4.4550 4.4550 4.4946 4.4946 4.8696 4.8696 5.0865 5.0865 5.5064 5.5064 5.7069 5.7069 7.4683 7.4683 7.4905 7.4905 8.4045 8.4045 8.4172 8.4172 8.9864 8.9864 9.9186 9.9186 9.9424 9.9424 k = 0.5000 0.2343 0.1552 ( 6534 PWs) bands (ev): -9.3522 -9.3522 -8.1690 -8.1690 -6.7782 -6.7782 -6.7753 -6.7753 -6.5874 -6.5874 -6.5815 -6.5815 -5.0246 -5.0246 -2.6821 -2.6821 -2.4259 -2.4259 -2.4227 -2.4227 -2.3809 -2.3809 -2.3320 -2.3320 -1.8142 -1.8142 -1.7923 -1.7923 -1.7160 -1.7160 -1.7133 -1.7133 -1.6944 -1.6944 -1.5827 -1.5827 -0.1527 -0.1527 0.8761 0.8761 0.8902 0.8902 1.1905 1.1905 1.2817 1.2817 1.7806 1.7806 3.1587 3.1587 3.2567 3.2567 3.4746 3.4746 3.7794 3.7794 3.8351 3.8351 4.4509 4.4509 4.4912 4.4912 4.8718 4.8718 5.0912 5.0912 5.5099 5.5099 5.7124 5.7124 7.4626 7.4626 7.4850 7.4850 8.4032 8.4032 8.4165 8.4165 8.9853 8.9853 9.9213 9.9213 9.9454 9.9454 k = 0.5000-0.4163-0.2757 ( 6564 PWs) bands (ev): -9.2513 -9.2513 -7.9188 -7.9188 -7.2205 -7.2205 -6.7935 -6.7935 -6.7714 -6.7714 -6.7499 -6.7499 -4.7123 -4.7123 -2.9774 -2.9774 -2.4437 -2.4437 -2.4084 -2.4084 -2.2980 -2.2980 -2.1260 -2.1260 -1.7971 -1.7971 -1.7824 -1.7824 -1.6881 -1.6881 -1.6512 -1.6512 -1.6370 -1.6370 -1.3305 -1.3305 0.1950 0.1950 0.5525 0.5525 0.8691 0.8691 1.3232 1.3232 1.6564 1.6564 1.9775 1.9775 2.7747 2.7747 3.2173 3.2173 3.2841 3.2841 3.6669 3.6669 3.8748 3.8748 4.0308 4.0308 4.8039 4.8039 4.8298 4.8298 5.2261 5.2261 5.2370 5.2370 5.6005 5.6005 7.7634 7.7634 7.9342 7.9342 8.0359 8.0359 8.3901 8.3901 8.5848 8.5848 9.0155 9.0155 9.9730 9.9730 k = 0.5165-0.4025-0.2666 ( 6558 PWs) bands (ev): -9.2512 -9.2512 -7.9192 -7.9192 -7.2203 -7.2203 -6.7942 -6.7942 -6.7707 -6.7707 -6.7500 -6.7500 -4.7120 -4.7120 -2.9774 -2.9774 -2.4437 -2.4437 -2.4084 -2.4084 -2.2980 -2.2980 -2.1261 -2.1261 -1.7972 -1.7972 -1.7823 -1.7823 -1.6880 -1.6880 -1.6512 -1.6512 -1.6370 -1.6370 -1.3308 -1.3308 0.1945 0.1945 0.5533 0.5533 0.8689 0.8689 1.3236 1.3236 1.6569 1.6569 1.9770 1.9770 2.7751 2.7751 3.2177 3.2177 3.2842 3.2842 3.6657 3.6657 3.8767 3.8767 4.0288 4.0288 4.7884 4.7884 4.8429 4.8429 5.2227 5.2227 5.2396 5.2396 5.6011 5.6011 7.7635 7.7635 7.9313 7.9313 8.0383 8.0383 8.3924 8.3924 8.5844 8.5844 9.0171 9.0171 9.9722 9.9722 k = 0.5330-0.3887-0.2574 ( 6564 PWs) bands (ev): -9.2508 -9.2508 -7.9203 -7.9203 -7.2196 -7.2196 -6.7959 -6.7959 -6.7688 -6.7688 -6.7505 -6.7505 -4.7109 -4.7109 -2.9774 -2.9774 -2.4437 -2.4437 -2.4084 -2.4084 -2.2980 -2.2980 -2.1262 -2.1262 -1.7974 -1.7974 -1.7822 -1.7822 -1.6880 -1.6880 -1.6512 -1.6512 -1.6369 -1.6369 -1.3315 -1.3315 0.1931 0.1931 0.5559 0.5559 0.8684 0.8684 1.3246 1.3246 1.6587 1.6587 1.9754 1.9754 2.7761 2.7761 3.2190 3.2190 3.2846 3.2846 3.6623 3.6623 3.8822 3.8822 4.0229 4.0229 4.7624 4.7624 4.8621 4.8621 5.2140 5.2140 5.2456 5.2456 5.6031 5.6031 7.7638 7.7638 7.9233 7.9233 8.0445 8.0445 8.3994 8.3994 8.5834 8.5834 9.0220 9.0220 9.9699 9.9699 k = 0.5495-0.3749-0.2483 ( 6574 PWs) bands (ev): -9.2502 -9.2502 -7.9222 -7.9222 -7.2184 -7.2184 -6.7984 -6.7984 -6.7660 -6.7660 -6.7514 -6.7514 -4.7092 -4.7092 -2.9773 -2.9773 -2.4437 -2.4437 -2.4084 -2.4084 -2.2980 -2.2980 -2.1263 -2.1263 -1.7977 -1.7977 -1.7819 -1.7819 -1.6880 -1.6880 -1.6512 -1.6512 -1.6369 -1.6369 -1.3327 -1.3327 0.1908 0.1908 0.5600 0.5600 0.8675 0.8675 1.3264 1.3264 1.6616 1.6616 1.9727 1.9727 2.7778 2.7778 3.2213 3.2213 3.2852 3.2852 3.6576 3.6576 3.8899 3.8899 4.0139 4.0139 4.7327 4.7327 4.8803 4.8803 5.2012 5.2012 5.2543 5.2543 5.6060 5.6060 7.7645 7.7645 7.9122 7.9122 8.0530 8.0530 8.4104 8.4104 8.5818 8.5818 9.0300 9.0300 9.9663 9.9663 k = 0.5660-0.3611-0.2392 ( 6564 PWs) bands (ev): -9.2495 -9.2495 -7.9248 -7.9248 -7.2168 -7.2168 -6.8012 -6.8012 -6.7629 -6.7629 -6.7525 -6.7525 -4.7069 -4.7069 -2.9771 -2.9771 -2.4437 -2.4437 -2.4083 -2.4083 -2.2979 -2.2979 -2.1266 -2.1266 -1.7981 -1.7981 -1.7815 -1.7815 -1.6880 -1.6880 -1.6513 -1.6513 -1.6368 -1.6368 -1.3343 -1.3343 0.1878 0.1878 0.5656 0.5656 0.8663 0.8663 1.3287 1.3287 1.6658 1.6658 1.9690 1.9690 2.7802 2.7802 3.2244 3.2244 3.2858 3.2858 3.6525 3.6525 3.8977 3.8977 4.0035 4.0035 4.7003 4.7003 4.8969 4.8969 5.1844 5.1844 5.2654 5.2654 5.6098 5.6098 7.7656 7.7656 7.8995 7.8995 8.0625 8.0625 8.4251 8.4251 8.5797 8.5797 9.0410 9.0410 9.9614 9.9614 k = 0.5825-0.3474-0.2301 ( 6558 PWs) bands (ev): -9.2485 -9.2485 -7.9281 -7.9281 -7.2147 -7.2147 -6.8043 -6.8043 -6.7599 -6.7599 -6.7536 -6.7536 -4.7040 -4.7040 -2.9769 -2.9769 -2.4437 -2.4437 -2.4083 -2.4083 -2.2978 -2.2978 -2.1269 -2.1269 -1.7986 -1.7986 -1.7811 -1.7811 -1.6880 -1.6880 -1.6513 -1.6513 -1.6368 -1.6368 -1.3364 -1.3364 0.1842 0.1842 0.5725 0.5725 0.8648 0.8648 1.3314 1.3314 1.6712 1.6712 1.9644 1.9644 2.7834 2.7834 3.2282 3.2282 3.2863 3.2863 3.6479 3.6479 3.9020 3.9020 3.9949 3.9949 4.6654 4.6654 4.9117 4.9117 5.1645 5.1645 5.2783 5.2783 5.6140 5.6140 7.7672 7.7672 7.8863 7.8863 8.0724 8.0724 8.4426 8.4426 8.5771 8.5771 9.0548 9.0548 9.9557 9.9557 k = 0.5991-0.3336-0.2209 ( 6554 PWs) bands (ev): -9.2473 -9.2473 -7.9320 -7.9320 -7.2121 -7.2121 -6.8073 -6.8073 -6.7584 -6.7584 -6.7532 -6.7532 -4.7005 -4.7005 -2.9767 -2.9767 -2.4436 -2.4436 -2.4082 -2.4082 -2.2977 -2.2977 -2.1272 -2.1272 -1.7991 -1.7991 -1.7806 -1.7806 -1.6880 -1.6880 -1.6514 -1.6514 -1.6366 -1.6366 -1.3388 -1.3388 0.1801 0.1801 0.5803 0.5803 0.8630 0.8630 1.3343 1.3343 1.6781 1.6781 1.9591 1.9591 2.7874 2.7874 3.2326 3.2326 3.2864 3.2864 3.6447 3.6447 3.8983 3.8983 3.9925 3.9925 4.6283 4.6283 4.9242 4.9242 5.1425 5.1425 5.2924 5.2924 5.6185 5.6185 7.7692 7.7692 7.8737 7.8737 8.0823 8.0823 8.4620 8.4620 8.5743 8.5743 9.0711 9.0711 9.9495 9.9495 k = 0.6156-0.3198-0.2118 ( 6554 PWs) bands (ev): -9.2460 -9.2460 -7.9364 -7.9364 -7.2090 -7.2090 -6.8104 -6.8104 -6.7598 -6.7598 -6.7504 -6.7504 -4.6967 -4.6967 -2.9764 -2.9764 -2.4436 -2.4436 -2.4082 -2.4082 -2.2976 -2.2976 -2.1276 -2.1276 -1.7997 -1.7997 -1.7800 -1.7800 -1.6880 -1.6880 -1.6515 -1.6515 -1.6365 -1.6365 -1.3417 -1.3417 0.1757 0.1757 0.5889 0.5889 0.8609 0.8609 1.3373 1.3373 1.6864 1.6864 1.9530 1.9530 2.7923 2.7923 3.2373 3.2373 3.2863 3.2863 3.6434 3.6434 3.8848 3.8848 3.9981 3.9981 4.5893 4.5893 4.9337 4.9337 5.1198 5.1198 5.3073 5.3073 5.6229 5.6229 7.7712 7.7712 7.8626 7.8626 8.0921 8.0921 8.4827 8.4827 8.5716 8.5716 9.0895 9.0895 9.9431 9.9431 k = 0.6321-0.3060-0.2027 ( 6552 PWs) bands (ev): -9.2446 -9.2446 -7.9413 -7.9413 -7.2054 -7.2054 -6.8134 -6.8134 -6.7622 -6.7622 -6.7467 -6.7467 -4.6926 -4.6926 -2.9761 -2.9761 -2.4436 -2.4436 -2.4081 -2.4081 -2.2975 -2.2975 -2.1281 -2.1281 -1.8003 -1.8003 -1.7795 -1.7795 -1.6880 -1.6880 -1.6517 -1.6517 -1.6363 -1.6363 -1.3448 -1.3448 0.1711 0.1711 0.5980 0.5980 0.8585 0.8585 1.3401 1.3401 1.6962 1.6962 1.9465 1.9465 2.7981 2.7981 3.2416 3.2416 3.2862 3.2862 3.6446 3.6446 3.8642 3.8642 4.0092 4.0092 4.5488 4.5488 4.9387 4.9387 5.0985 5.0985 5.3223 5.3223 5.6271 5.6271 7.7724 7.7724 7.8540 7.8540 8.1019 8.1019 8.5037 8.5037 8.5693 8.5693 9.1096 9.1096 9.9370 9.9370 k = 0.6486-0.2922-0.1935 ( 6550 PWs) bands (ev): -9.2432 -9.2432 -7.9466 -7.9466 -7.2013 -7.2013 -6.8163 -6.8163 -6.7651 -6.7651 -6.7428 -6.7428 -4.6882 -4.6882 -2.9757 -2.9757 -2.4436 -2.4436 -2.4080 -2.4080 -2.2974 -2.2974 -2.1286 -2.1286 -1.8009 -1.8009 -1.7789 -1.7789 -1.6880 -1.6880 -1.6518 -1.6518 -1.6361 -1.6361 -1.3483 -1.3483 0.1665 0.1665 0.6073 0.6073 0.8559 0.8559 1.3423 1.3423 1.7076 1.7076 1.9396 1.9396 2.8048 2.8048 3.2443 3.2443 3.2872 3.2872 3.6480 3.6480 3.8398 3.8398 4.0230 4.0230 4.5072 4.5072 4.9370 4.9370 5.0816 5.0816 5.3368 5.3368 5.6310 5.6310 7.7718 7.7718 7.8490 7.8490 8.1116 8.1116 8.5239 8.5239 8.5684 8.5684 9.1311 9.1311 9.9313 9.9313 k = 0.6651-0.2784-0.1844 ( 6552 PWs) bands (ev): -9.2417 -9.2417 -7.9521 -7.9521 -7.1968 -7.1968 -6.8192 -6.8192 -6.7683 -6.7683 -6.7389 -6.7389 -4.6837 -4.6837 -2.9752 -2.9752 -2.4435 -2.4435 -2.4079 -2.4079 -2.2973 -2.2973 -2.1292 -2.1292 -1.8016 -1.8016 -1.7783 -1.7783 -1.6881 -1.6881 -1.6520 -1.6520 -1.6358 -1.6358 -1.3521 -1.3521 0.1618 0.1618 0.6167 0.6167 0.8531 0.8531 1.3438 1.3438 1.7207 1.7207 1.9328 1.9328 2.8124 2.8124 3.2440 3.2440 3.2905 3.2905 3.6534 3.6534 3.8142 3.8142 4.0377 4.0377 4.4648 4.4648 4.9268 4.9268 5.0716 5.0716 5.3506 5.3506 5.6343 5.6343 7.7688 7.7688 7.8482 7.8482 8.1213 8.1213 8.5412 8.5412 8.5707 8.5707 9.1537 9.1537 9.9262 9.9262 k = 0.6816-0.2646-0.1753 ( 6553 PWs) bands (ev): -9.2403 -9.2403 -7.9577 -7.9577 -7.1917 -7.1917 -6.8219 -6.8219 -6.7719 -6.7719 -6.7350 -6.7350 -4.6793 -4.6793 -2.9747 -2.9747 -2.4435 -2.4435 -2.4078 -2.4078 -2.2972 -2.2972 -2.1299 -2.1299 -1.8022 -1.8022 -1.7776 -1.7776 -1.6881 -1.6881 -1.6523 -1.6523 -1.6355 -1.6355 -1.3561 -1.3561 0.1574 0.1574 0.6258 0.6258 0.8502 0.8502 1.3442 1.3442 1.7355 1.7355 1.9261 1.9261 2.8208 2.8208 3.2399 3.2399 3.2968 3.2968 3.6592 3.6592 3.7899 3.7899 4.0521 4.0521 4.4222 4.4222 4.9083 4.9083 5.0689 5.0689 5.3632 5.3632 5.6369 5.6369 7.7634 7.7634 7.8515 7.8515 8.1310 8.1310 8.5515 8.5515 8.5803 8.5803 9.1772 9.1772 9.9218 9.9218 k = 0.6981-0.2509-0.1662 ( 6546 PWs) bands (ev): -9.2389 -9.2389 -7.9634 -7.9634 -7.1863 -7.1863 -6.8244 -6.8244 -6.7757 -6.7757 -6.7311 -6.7311 -4.6750 -4.6750 -2.9741 -2.9741 -2.4434 -2.4434 -2.4077 -2.4077 -2.2971 -2.2971 -2.1305 -2.1305 -1.8029 -1.8029 -1.7770 -1.7770 -1.6882 -1.6882 -1.6525 -1.6525 -1.6352 -1.6352 -1.3602 -1.3602 0.1531 0.1531 0.6345 0.6345 0.8473 0.8473 1.3432 1.3432 1.7520 1.7520 1.9200 1.9200 2.8301 2.8301 3.2324 3.2324 3.3058 3.3058 3.6620 3.6620 3.7710 3.7710 4.0656 4.0656 4.3799 4.3799 4.8843 4.8843 5.0718 5.0718 5.3745 5.3745 5.6386 5.6386 7.7567 7.7567 7.8576 7.8576 8.1404 8.1404 8.5562 8.5562 8.5959 8.5959 9.2013 9.2013 9.9177 9.9177 k = 0.7146-0.2371-0.1570 ( 6547 PWs) bands (ev): -9.2376 -9.2376 -7.9691 -7.9691 -7.1804 -7.1804 -6.8268 -6.8268 -6.7797 -6.7797 -6.7273 -6.7273 -4.6710 -4.6710 -2.9734 -2.9734 -2.4434 -2.4434 -2.4076 -2.4076 -2.2970 -2.2970 -2.1313 -2.1313 -1.8036 -1.8036 -1.7764 -1.7764 -1.6882 -1.6882 -1.6528 -1.6528 -1.6348 -1.6348 -1.3645 -1.3645 0.1491 0.1491 0.6426 0.6426 0.8445 0.8445 1.3406 1.3406 1.7700 1.7700 1.9145 1.9145 2.8401 2.8401 3.2221 3.2221 3.3169 3.3169 3.6566 3.6566 3.7631 3.7631 4.0774 4.0774 4.3389 4.3389 4.8575 4.8575 5.0779 5.0779 5.3843 5.3843 5.6390 5.6390 7.7495 7.7495 7.8655 7.8655 8.1494 8.1494 8.5599 8.5599 8.6129 8.6129 9.2260 9.2260 9.9136 9.9136 k = 0.7311-0.2233-0.1479 ( 6561 PWs) bands (ev): -9.2365 -9.2365 -7.9746 -7.9746 -7.1742 -7.1742 -6.8291 -6.8291 -6.7839 -6.7839 -6.7235 -6.7235 -4.6674 -4.6674 -2.9726 -2.9726 -2.4433 -2.4433 -2.4075 -2.4075 -2.2970 -2.2970 -2.1320 -2.1320 -1.8042 -1.8042 -1.7758 -1.7758 -1.6883 -1.6883 -1.6531 -1.6531 -1.6344 -1.6344 -1.3688 -1.3688 0.1453 0.1453 0.6498 0.6498 0.8418 0.8418 1.3361 1.3361 1.7895 1.7895 1.9102 1.9102 2.8507 2.8507 3.2096 3.2096 3.3296 3.3296 3.6410 3.6410 3.7682 3.7682 4.0864 4.0864 4.3003 4.3003 4.8303 4.8303 5.0858 5.0858 5.3927 5.3927 5.6379 5.6379 7.7426 7.7426 7.8743 7.8743 8.1578 8.1578 8.5645 8.5645 8.6295 8.6295 9.2515 9.2515 9.9089 9.9089 k = 0.7476-0.2095-0.1388 ( 6565 PWs) bands (ev): -9.2357 -9.2357 -7.9797 -7.9797 -7.1676 -7.1676 -6.8312 -6.8312 -6.7882 -6.7882 -6.7198 -6.7198 -4.6643 -4.6643 -2.9717 -2.9717 -2.4432 -2.4432 -2.4074 -2.4074 -2.2969 -2.2969 -2.1328 -2.1328 -1.8048 -1.8048 -1.7753 -1.7753 -1.6885 -1.6885 -1.6534 -1.6534 -1.6340 -1.6340 -1.3731 -1.3731 0.1418 0.1418 0.6561 0.6561 0.8394 0.8394 1.3296 1.3296 1.8099 1.8099 1.9074 1.9074 2.8618 2.8618 3.1954 3.1954 3.3435 3.3435 3.6188 3.6188 3.7825 3.7825 4.0910 4.0910 4.2664 4.2664 4.8040 4.8040 5.0946 5.0946 5.3996 5.3996 5.6350 5.6350 7.7364 7.7364 7.8835 7.8835 8.1651 8.1651 8.5706 8.5706 8.6452 8.6452 9.2776 9.2776 9.9029 9.9029 k = 0.7642-0.1957-0.1296 ( 6565 PWs) bands (ev): -9.2351 -9.2351 -7.9845 -7.9845 -7.1608 -7.1608 -6.8331 -6.8331 -6.7924 -6.7924 -6.7163 -6.7163 -4.6618 -4.6618 -2.9707 -2.9707 -2.4431 -2.4431 -2.4073 -2.4073 -2.2969 -2.2969 -2.1336 -2.1336 -1.8055 -1.8055 -1.7747 -1.7747 -1.6886 -1.6886 -1.6536 -1.6536 -1.6336 -1.6336 -1.3774 -1.3774 0.1386 0.1386 0.6613 0.6613 0.8374 0.8374 1.3210 1.3210 1.8305 1.8305 1.9068 1.9068 2.8730 2.8730 3.1800 3.1800 3.3581 3.3581 3.5943 3.5943 3.8018 3.8018 4.0884 4.0884 4.2406 4.2406 4.7797 4.7797 5.1038 5.1038 5.4053 5.4053 5.6300 5.6300 7.7313 7.7313 7.8924 7.8924 8.1712 8.1712 8.5784 8.5784 8.6600 8.6600 9.3044 9.3044 9.8947 9.8947 k = 0.7807-0.1819-0.1205 ( 6568 PWs) bands (ev): -9.2348 -9.2348 -7.9888 -7.9888 -7.1538 -7.1538 -6.8348 -6.8348 -6.7966 -6.7966 -6.7128 -6.7128 -4.6601 -4.6601 -2.9696 -2.9696 -2.4430 -2.4430 -2.4072 -2.4072 -2.2970 -2.2970 -2.1344 -2.1344 -1.8061 -1.8061 -1.7741 -1.7741 -1.6888 -1.6888 -1.6539 -1.6539 -1.6331 -1.6331 -1.3816 -1.3816 0.1357 0.1357 0.6652 0.6652 0.8359 0.8359 1.3103 1.3103 1.8493 1.8493 1.9103 1.9103 2.8841 2.8841 3.1638 3.1638 3.3729 3.3729 3.5699 3.5699 3.8232 3.8232 4.0766 4.0766 4.2260 4.2260 4.7583 4.7583 5.1130 5.1130 5.4099 5.4099 5.6226 5.6226 7.7275 7.7275 7.9010 7.9010 8.1759 8.1759 8.5876 8.5876 8.6741 8.6741 9.3317 9.3317 9.8836 9.8836 Writing output data file CdPSe3.save init_run : 1.49s CPU 1.81s WALL ( 1 calls) electrons : 296.59s CPU 300.09s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.12s CPU 0.22s WALL ( 1 calls) Called by electrons: c_bands : 296.59s CPU 300.09s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.03s WALL ( 1 calls) newd : 0.20s CPU 0.33s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 211 calls) cegterg : 275.30s CPU 277.97s WALL ( 280 calls) Called by sum_band: Called by *egterg: h_psi : 157.06s CPU 159.50s WALL ( 4667 calls) s_psi : 7.41s CPU 7.52s WALL ( 4667 calls) g_psi : 0.20s CPU 0.19s WALL ( 4176 calls) cdiaghg : 104.16s CPU 104.39s WALL ( 4387 calls) cegterg:over : 11.14s CPU 11.31s WALL ( 4176 calls) cegterg:upda : 6.60s CPU 6.69s WALL ( 4176 calls) cegterg:last : 4.22s CPU 4.12s WALL ( 778 calls) cdiaghg:chol : 4.89s CPU 4.69s WALL ( 4387 calls) cdiaghg:inve : 3.51s CPU 3.54s WALL ( 4387 calls) cdiaghg:para : 6.79s CPU 6.95s WALL ( 8774 calls) Called by h_psi: h_psi:vloc : 138.74s CPU 141.29s WALL ( 4667 calls) h_psi:vnl : 18.11s CPU 18.00s WALL ( 4667 calls) add_vuspsi : 9.18s CPU 9.11s WALL ( 4667 calls) General routines calbec : 8.90s CPU 8.88s WALL ( 4667 calls) fft : 0.04s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 123.70s CPU 125.84s WALL ( 836192 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.16s CPU 0.46s WALL ( 422 calls) Parallel routines fft_scatter : 73.68s CPU 75.12s WALL ( 836215 calls) PWSCF : 5m30.36s CPU 5m50.71s WALL This run was terminated on: 6:14:54 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=