Program PWSCF v.5.1.1 starts on 25Nov2015 at 12:31: 0 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BixBO2x3.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 33 19 5 1538 671 102 Max 34 20 6 1549 688 109 Sum 1629 945 273 74233 32653 5111 bravais-lattice index = 14 lattice parameter (alat) = 8.2189 a.u. unit-cell volume = 750.2025 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.218873 celldm(2)= 1.000000 celldm(3)= 1.496031 celldm(4)= 0.218773 celldm(5)= 0.218773 celldm(6)= 0.349081 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.349081 0.937092 0.000000 ) a(3) = ( 0.327291 0.227341 1.441980 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.372516 -0.168243 ) b(2) = ( 0.000000 1.067131 -0.168243 ) b(3) = ( 0.000000 0.000000 0.693491 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Bi read from file: /home/autes/Pseudo/Bi_MT_PBE.UPF MD5 check sum: b574f8a1102dd4d1778b4090b55884d0 Pseudo is Norm-conserving, Zval = 5.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1283 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 3 for B read from file: /home/autes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Bi 5.00 208.98040 Bi( 1.00) B 3.00 10.81100 B( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 337 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0108696 0.0075502 -0.0036575), wk = 0.0029674 k( 3) = ( 0.0217391 0.0151003 -0.0073149), wk = 0.0029674 k( 4) = ( 0.0326087 0.0226505 -0.0109723), wk = 0.0029674 k( 5) = ( 0.0434783 0.0302007 -0.0146298), wk = 0.0029674 k( 6) = ( 0.0543478 0.0377508 -0.0182872), wk = 0.0029674 k( 7) = ( 0.0652174 0.0453010 -0.0219447), wk = 0.0029674 k( 8) = ( 0.0760870 0.0528512 -0.0256021), wk = 0.0029674 k( 9) = ( 0.0869565 0.0604013 -0.0292596), wk = 0.0029674 k( 10) = ( 0.0978261 0.0679515 -0.0329170), wk = 0.0029674 k( 11) = ( 0.1086957 0.0755016 -0.0365745), wk = 0.0029674 k( 12) = ( 0.1195652 0.0830518 -0.0402319), wk = 0.0029674 k( 13) = ( 0.1304348 0.0906020 -0.0438894), wk = 0.0029674 k( 14) = ( 0.1413043 0.0981521 -0.0475468), wk = 0.0029674 k( 15) = ( 0.1521739 0.1057023 -0.0512043), wk = 0.0029674 k( 16) = ( 0.1630435 0.1132525 -0.0548617), wk = 0.0029674 k( 17) = ( 0.1739130 0.1208026 -0.0585192), wk = 0.0029674 k( 18) = ( 0.1847826 0.1283528 -0.0621766), wk = 0.0029674 k( 19) = ( 0.1956522 0.1359030 -0.0658341), wk = 0.0029674 k( 20) = ( 0.2065217 0.1434531 -0.0694915), wk = 0.0029674 k( 21) = ( 0.2173913 0.1510033 -0.0731490), wk = 0.0029674 k( 22) = ( 0.2282609 0.1585535 -0.0768064), wk = 0.0029674 k( 23) = ( 0.2391304 0.1661036 -0.0804639), wk = 0.0029674 k( 24) = ( 0.2500000 0.1736538 -0.0841213), wk = 0.0029674 k( 25) = ( 0.2608696 0.1812040 -0.0877788), wk = 0.0029674 k( 26) = ( 0.2717391 0.1887541 -0.0914362), wk = 0.0029674 k( 27) = ( 0.2826087 0.1963043 -0.0950937), wk = 0.0029674 k( 28) = ( 0.2934783 0.2038544 -0.0987511), wk = 0.0029674 k( 29) = ( 0.3043478 0.2114046 -0.1024086), wk = 0.0029674 k( 30) = ( 0.3152174 0.2189548 -0.1060660), wk = 0.0029674 k( 31) = ( 0.3260870 0.2265049 -0.1097235), wk = 0.0029674 k( 32) = ( 0.3369565 0.2340551 -0.1133809), wk = 0.0029674 k( 33) = ( 0.3478261 0.2416053 -0.1170384), wk = 0.0029674 k( 34) = ( 0.3586956 0.2491554 -0.1206958), wk = 0.0029674 k( 35) = ( 0.3695652 0.2567056 -0.1243533), wk = 0.0029674 k( 36) = ( 0.3804348 0.2642558 -0.1280107), wk = 0.0029674 k( 37) = ( 0.3913044 0.2718059 -0.1316682), wk = 0.0029674 k( 38) = ( 0.4021739 0.2793561 -0.1353256), wk = 0.0029674 k( 39) = ( 0.4130435 0.2869063 -0.1389831), wk = 0.0029674 k( 40) = ( 0.4239130 0.2944564 -0.1426405), wk = 0.0029674 k( 41) = ( 0.4347826 0.3020066 -0.1462980), wk = 0.0029674 k( 42) = ( 0.4456522 0.3095567 -0.1499554), wk = 0.0029674 k( 43) = ( 0.4565217 0.3171069 -0.1536129), wk = 0.0029674 k( 44) = ( 0.4673913 0.3246571 -0.1572703), wk = 0.0029674 k( 45) = ( 0.4782609 0.3322072 -0.1609277), wk = 0.0029674 k( 46) = ( 0.4891304 0.3397574 -0.1645852), wk = 0.0029674 k( 47) = ( 0.5000000 0.3473076 -0.1682426), wk = 0.0029674 k( 48) = ( 0.5000000 0.3473076 -0.1682426), wk = 0.0029674 k( 49) = ( 0.5028940 0.3493177 -0.1554924), wk = 0.0029674 k( 50) = ( 0.5057879 0.3513279 -0.1427422), wk = 0.0029674 k( 51) = ( 0.5086818 0.3533381 -0.1299920), wk = 0.0029674 k( 52) = ( 0.5115758 0.3553483 -0.1172419), wk = 0.0029674 k( 53) = ( 0.5144698 0.3573585 -0.1044917), wk = 0.0029674 k( 54) = ( 0.5173637 0.3593687 -0.0917414), wk = 0.0029674 k( 55) = ( 0.5202577 0.3613788 -0.0789913), wk = 0.0029674 k( 56) = ( 0.5231516 0.3633890 -0.0662411), wk = 0.0029674 k( 57) = ( 0.5260456 0.3653992 -0.0534908), wk = 0.0029674 k( 58) = ( 0.5289395 0.3674094 -0.0407407), wk = 0.0029674 k( 59) = ( 0.5318335 0.3694196 -0.0279905), wk = 0.0029674 k( 60) = ( 0.5347274 0.3714298 -0.0152403), wk = 0.0029674 k( 61) = ( 0.5376214 0.3734399 -0.0024901), wk = 0.0029674 k( 62) = ( 0.5405153 0.3754501 0.0102601), wk = 0.0029674 k( 63) = ( 0.5405153 0.3754501 0.0102601), wk = 0.0029674 k( 64) = ( 0.5373988 0.3732853 0.0232019), wk = 0.0029674 k( 65) = ( 0.5342822 0.3711205 0.0361436), wk = 0.0029674 k( 66) = ( 0.5311656 0.3689557 0.0490854), wk = 0.0029674 k( 67) = ( 0.5280491 0.3667909 0.0620271), wk = 0.0029674 k( 68) = ( 0.5249325 0.3646261 0.0749689), wk = 0.0029674 k( 69) = ( 0.5218159 0.3624613 0.0879106), wk = 0.0029674 k( 70) = ( 0.5186994 0.3602964 0.1008523), wk = 0.0029674 k( 71) = ( 0.5155828 0.3581316 0.1137941), wk = 0.0029674 k( 72) = ( 0.5124663 0.3559668 0.1267358), wk = 0.0029674 k( 73) = ( 0.5093497 0.3538020 0.1396776), wk = 0.0029674 k( 74) = ( 0.5062331 0.3516372 0.1526193), wk = 0.0029674 k( 75) = ( 0.5031166 0.3494724 0.1655610), wk = 0.0029674 k( 76) = ( 0.5000000 0.3473076 0.1785028), wk = 0.0029674 k( 77) = ( 0.5000000 0.3473076 0.1785028), wk = 0.0029674 k( 78) = ( 0.5075304 0.3364665 0.1785028), wk = 0.0029674 k( 79) = ( 0.5150608 0.3256254 0.1785028), wk = 0.0029674 k( 80) = ( 0.5225911 0.3147843 0.1785028), wk = 0.0029674 k( 81) = ( 0.5301215 0.3039432 0.1785028), wk = 0.0029674 k( 82) = ( 0.5376519 0.2931021 0.1785028), wk = 0.0029674 k( 83) = ( 0.5451823 0.2822611 0.1785028), wk = 0.0029674 k( 84) = ( 0.5527127 0.2714200 0.1785028), wk = 0.0029674 k( 85) = ( 0.5602430 0.2605789 0.1785028), wk = 0.0029674 k( 86) = ( 0.5677734 0.2497378 0.1785028), wk = 0.0029674 k( 87) = ( 0.5753038 0.2388967 0.1785028), wk = 0.0029674 k( 88) = ( 0.5828342 0.2280556 0.1785028), wk = 0.0029674 k( 89) = ( 0.5903646 0.2172145 0.1785028), wk = 0.0029674 k( 90) = ( 0.5978950 0.2063735 0.1785028), wk = 0.0029674 k( 91) = ( 0.6054253 0.1955324 0.1785028), wk = 0.0029674 k( 92) = ( 0.6129557 0.1846913 0.1785028), wk = 0.0029674 k( 93) = ( 0.6204861 0.1738502 0.1785028), wk = 0.0029674 k( 94) = ( 0.6280165 0.1630091 0.1785028), wk = 0.0029674 k( 95) = ( 0.6355469 0.1521680 0.1785028), wk = 0.0029674 k( 96) = ( 0.6430773 0.1413270 0.1785028), wk = 0.0029674 k( 97) = ( 0.6506076 0.1304859 0.1785028), wk = 0.0029674 k( 98) = ( 0.6581380 0.1196448 0.1785028), wk = 0.0029674 k( 99) = ( 0.3418620 -0.4921603 0.3467454), wk = 0.0029674 k( 100) = ( 0.3340924 -0.4809748 0.3467454), wk = 0.0029674 k( 101) = ( 0.3263228 -0.4697894 0.3467454), wk = 0.0029674 k( 102) = ( 0.3185532 -0.4586039 0.3467454), wk = 0.0029674 k( 103) = ( 0.3107836 -0.4474184 0.3467454), wk = 0.0029674 k( 104) = ( 0.3030140 -0.4362330 0.3467454), wk = 0.0029674 k( 105) = ( 0.2952444 -0.4250475 0.3467454), wk = 0.0029674 k( 106) = ( 0.2874749 -0.4138621 0.3467454), wk = 0.0029674 k( 107) = ( 0.2797053 -0.4026766 0.3467454), wk = 0.0029674 k( 108) = ( 0.2719357 -0.3914911 0.3467454), wk = 0.0029674 k( 109) = ( 0.2641661 -0.3803057 0.3467454), wk = 0.0029674 k( 110) = ( 0.2563965 -0.3691202 0.3467454), wk = 0.0029674 k( 111) = ( 0.2486269 -0.3579348 0.3467454), wk = 0.0029674 k( 112) = ( 0.2408573 -0.3467493 0.3467454), wk = 0.0029674 k( 113) = ( 0.2330877 -0.3355638 0.3467454), wk = 0.0029674 k( 114) = ( 0.2253181 -0.3243784 0.3467454), wk = 0.0029674 k( 115) = ( 0.2175485 -0.3131929 0.3467454), wk = 0.0029674 k( 116) = ( 0.2097789 -0.3020075 0.3467454), wk = 0.0029674 k( 117) = ( 0.2020094 -0.2908220 0.3467454), wk = 0.0029674 k( 118) = ( 0.1942398 -0.2796365 0.3467454), wk = 0.0029674 k( 119) = ( 0.1864702 -0.2684511 0.3467454), wk = 0.0029674 k( 120) = ( 0.1787006 -0.2572656 0.3467454), wk = 0.0029674 k( 121) = ( 0.1709310 -0.2460801 0.3467454), wk = 0.0029674 k( 122) = ( 0.1631614 -0.2348947 0.3467454), wk = 0.0029674 k( 123) = ( 0.1553918 -0.2237092 0.3467454), wk = 0.0029674 k( 124) = ( 0.1476222 -0.2125238 0.3467454), wk = 0.0029674 k( 125) = ( 0.1398526 -0.2013383 0.3467454), wk = 0.0029674 k( 126) = ( 0.1320830 -0.1901528 0.3467454), wk = 0.0029674 k( 127) = ( 0.1243135 -0.1789674 0.3467454), wk = 0.0029674 k( 128) = ( 0.1165439 -0.1677819 0.3467454), wk = 0.0029674 k( 129) = ( 0.1087743 -0.1565965 0.3467454), wk = 0.0029674 k( 130) = ( 0.1010047 -0.1454110 0.3467454), wk = 0.0029674 k( 131) = ( 0.0932351 -0.1342255 0.3467454), wk = 0.0029674 k( 132) = ( 0.0854655 -0.1230401 0.3467454), wk = 0.0029674 k( 133) = ( 0.0776959 -0.1118546 0.3467454), wk = 0.0029674 k( 134) = ( 0.0699263 -0.1006692 0.3467454), wk = 0.0029674 k( 135) = ( 0.0621567 -0.0894837 0.3467454), wk = 0.0029674 k( 136) = ( 0.0543871 -0.0782982 0.3467454), wk = 0.0029674 k( 137) = ( 0.0466175 -0.0671128 0.3467454), wk = 0.0029674 k( 138) = ( 0.0388479 -0.0559273 0.3467454), wk = 0.0029674 k( 139) = ( 0.0310784 -0.0447418 0.3467454), wk = 0.0029674 k( 140) = ( 0.0233088 -0.0335564 0.3467454), wk = 0.0029674 k( 141) = ( 0.0155392 -0.0223709 0.3467454), wk = 0.0029674 k( 142) = ( 0.0077696 -0.0111855 0.3467454), wk = 0.0029674 k( 143) = ( 0.0000000 0.0000000 0.3467454), wk = 0.0029674 k( 144) = ( 0.0000000 0.0000000 0.3467454), wk = 0.0029674 k( 145) = ( 0.0112069 0.0077845 0.3467454), wk = 0.0029674 k( 146) = ( 0.0224139 0.0155690 0.3467454), wk = 0.0029674 k( 147) = ( 0.0336208 0.0233535 0.3467454), wk = 0.0029674 k( 148) = ( 0.0448278 0.0311380 0.3467454), wk = 0.0029674 k( 149) = ( 0.0560347 0.0389226 0.3467454), wk = 0.0029674 k( 150) = ( 0.0672417 0.0467071 0.3467454), wk = 0.0029674 k( 151) = ( 0.0784486 0.0544916 0.3467454), wk = 0.0029674 k( 152) = ( 0.0896556 0.0622761 0.3467454), wk = 0.0029674 k( 153) = ( 0.1008625 0.0700606 0.3467454), wk = 0.0029674 k( 154) = ( 0.1120694 0.0778451 0.3467454), wk = 0.0029674 k( 155) = ( 0.1232764 0.0856296 0.3467454), wk = 0.0029674 k( 156) = ( 0.1344833 0.0934141 0.3467454), wk = 0.0029674 k( 157) = ( 0.1456903 0.1011987 0.3467454), wk = 0.0029674 k( 158) = ( 0.1568972 0.1089832 0.3467454), wk = 0.0029674 k( 159) = ( 0.1681042 0.1167677 0.3467454), wk = 0.0029674 k( 160) = ( 0.1793111 0.1245522 0.3467454), wk = 0.0029674 k( 161) = ( 0.1905180 0.1323367 0.3467454), wk = 0.0029674 k( 162) = ( 0.2017250 0.1401212 0.3467454), wk = 0.0029674 k( 163) = ( 0.2129319 0.1479057 0.3467454), wk = 0.0029674 k( 164) = ( 0.2241389 0.1556903 0.3467454), wk = 0.0029674 k( 165) = ( 0.2353458 0.1634748 0.3467454), wk = 0.0029674 k( 166) = ( 0.2465528 0.1712593 0.3467454), wk = 0.0029674 k( 167) = ( 0.2577597 0.1790438 0.3467454), wk = 0.0029674 k( 168) = ( 0.2689666 0.1868283 0.3467454), wk = 0.0029674 k( 169) = ( 0.2801736 0.1946128 0.3467454), wk = 0.0029674 k( 170) = ( 0.2913805 0.2023973 0.3467454), wk = 0.0029674 k( 171) = ( 0.3025875 0.2101818 0.3467454), wk = 0.0029674 k( 172) = ( 0.3137944 0.2179664 0.3467454), wk = 0.0029674 k( 173) = ( 0.3250014 0.2257509 0.3467454), wk = 0.0029674 k( 174) = ( 0.3362083 0.2335354 0.3467454), wk = 0.0029674 k( 175) = ( 0.3474153 0.2413199 0.3467454), wk = 0.0029674 k( 176) = ( 0.3586222 0.2491044 0.3467454), wk = 0.0029674 k( 177) = ( 0.3698291 0.2568889 0.3467454), wk = 0.0029674 k( 178) = ( 0.3810361 0.2646734 0.3467454), wk = 0.0029674 k( 179) = ( 0.3922430 0.2724579 0.3467454), wk = 0.0029674 k( 180) = ( 0.4034500 0.2802424 0.3467454), wk = 0.0029674 k( 181) = ( 0.4146569 0.2880270 0.3467454), wk = 0.0029674 k( 182) = ( 0.4258638 0.2958115 0.3467454), wk = 0.0029674 k( 183) = ( 0.4370708 0.3035960 0.3467454), wk = 0.0029674 k( 184) = ( 0.4482777 0.3113805 0.3467454), wk = 0.0029674 k( 185) = ( 0.4594847 0.3191650 0.3467454), wk = 0.0029674 k( 186) = ( 0.5000000 0.3473076 -0.1682426), wk = 0.0029674 k( 187) = ( 0.5075103 0.3364954 -0.1682426), wk = 0.0029674 k( 188) = ( 0.5150206 0.3256832 -0.1682426), wk = 0.0029674 k( 189) = ( 0.5225310 0.3148710 -0.1682426), wk = 0.0029674 k( 190) = ( 0.5300413 0.3040588 -0.1682426), wk = 0.0029674 k( 191) = ( 0.5375516 0.2932465 -0.1682426), wk = 0.0029674 k( 192) = ( 0.5450619 0.2824343 -0.1682426), wk = 0.0029674 k( 193) = ( 0.5525722 0.2716221 -0.1682426), wk = 0.0029674 k( 194) = ( 0.5600826 0.2608099 -0.1682426), wk = 0.0029674 k( 195) = ( 0.5675929 0.2499977 -0.1682426), wk = 0.0029674 k( 196) = ( 0.5751032 0.2391855 -0.1682426), wk = 0.0029674 k( 197) = ( 0.5826135 0.2283733 -0.1682426), wk = 0.0029674 k( 198) = ( 0.5901239 0.2175611 -0.1682426), wk = 0.0029674 k( 199) = ( 0.5976342 0.2067489 -0.1682426), wk = 0.0029674 k( 200) = ( 0.6051445 0.1959367 -0.1682426), wk = 0.0029674 k( 201) = ( 0.6126548 0.1851245 -0.1682426), wk = 0.0029674 k( 202) = ( 0.6201651 0.1743123 -0.1682426), wk = 0.0029674 k( 203) = ( 0.3798349 -0.5468278 0.0000000), wk = 0.0029674 k( 204) = ( 0.3720831 -0.5356680 0.0000000), wk = 0.0029674 k( 205) = ( 0.3643314 -0.5245083 0.0000000), wk = 0.0029674 k( 206) = ( 0.3565797 -0.5133485 0.0000000), wk = 0.0029674 k( 207) = ( 0.3488279 -0.5021888 0.0000000), wk = 0.0029674 k( 208) = ( 0.3410762 -0.4910290 0.0000000), wk = 0.0029674 k( 209) = ( 0.3333245 -0.4798693 0.0000000), wk = 0.0029674 k( 210) = ( 0.3255727 -0.4687095 0.0000000), wk = 0.0029674 k( 211) = ( 0.3178210 -0.4575498 0.0000000), wk = 0.0029674 k( 212) = ( 0.3100693 -0.4463900 0.0000000), wk = 0.0029674 k( 213) = ( 0.3023175 -0.4352303 0.0000000), wk = 0.0029674 k( 214) = ( 0.2945658 -0.4240705 0.0000000), wk = 0.0029674 k( 215) = ( 0.2868141 -0.4129108 0.0000000), wk = 0.0029674 k( 216) = ( 0.2790624 -0.4017510 0.0000000), wk = 0.0029674 k( 217) = ( 0.2713106 -0.3905913 0.0000000), wk = 0.0029674 k( 218) = ( 0.2635589 -0.3794315 0.0000000), wk = 0.0029674 k( 219) = ( 0.2558071 -0.3682718 0.0000000), wk = 0.0029674 k( 220) = ( 0.2480554 -0.3571120 0.0000000), wk = 0.0029674 k( 221) = ( 0.2403037 -0.3459523 0.0000000), wk = 0.0029674 k( 222) = ( 0.2325520 -0.3347925 0.0000000), wk = 0.0029674 k( 223) = ( 0.2248002 -0.3236328 0.0000000), wk = 0.0029674 k( 224) = ( 0.2170485 -0.3124730 0.0000000), wk = 0.0029674 k( 225) = ( 0.2092968 -0.3013133 0.0000000), wk = 0.0029674 k( 226) = ( 0.2015450 -0.2901535 0.0000000), wk = 0.0029674 k( 227) = ( 0.1937933 -0.2789938 0.0000000), wk = 0.0029674 k( 228) = ( 0.1860416 -0.2678340 0.0000000), wk = 0.0029674 k( 229) = ( 0.1782898 -0.2566743 0.0000000), wk = 0.0029674 k( 230) = ( 0.1705381 -0.2455145 0.0000000), wk = 0.0029674 k( 231) = ( 0.1627864 -0.2343548 0.0000000), wk = 0.0029674 k( 232) = ( 0.1550346 -0.2231950 0.0000000), wk = 0.0029674 k( 233) = ( 0.1472829 -0.2120353 0.0000000), wk = 0.0029674 k( 234) = ( 0.1395312 -0.2008755 0.0000000), wk = 0.0029674 k( 235) = ( 0.1317794 -0.1897158 0.0000000), wk = 0.0029674 k( 236) = ( 0.1240277 -0.1785560 0.0000000), wk = 0.0029674 k( 237) = ( 0.1162760 -0.1673963 0.0000000), wk = 0.0029674 k( 238) = ( 0.1085243 -0.1562365 0.0000000), wk = 0.0029674 k( 239) = ( 0.1007725 -0.1450768 0.0000000), wk = 0.0029674 k( 240) = ( 0.0930208 -0.1339170 0.0000000), wk = 0.0029674 k( 241) = ( 0.0852690 -0.1227573 0.0000000), wk = 0.0029674 k( 242) = ( 0.0775173 -0.1115975 0.0000000), wk = 0.0029674 k( 243) = ( 0.0697656 -0.1004378 0.0000000), wk = 0.0029674 k( 244) = ( 0.0620139 -0.0892780 0.0000000), wk = 0.0029674 k( 245) = ( 0.0542621 -0.0781183 0.0000000), wk = 0.0029674 k( 246) = ( 0.0465104 -0.0669585 0.0000000), wk = 0.0029674 k( 247) = ( 0.0387587 -0.0557988 0.0000000), wk = 0.0029674 k( 248) = ( 0.0310069 -0.0446390 0.0000000), wk = 0.0029674 k( 249) = ( 0.0232552 -0.0334793 0.0000000), wk = 0.0029674 k( 250) = ( 0.0155035 -0.0223195 0.0000000), wk = 0.0029674 k( 251) = ( 0.0077517 -0.0111597 0.0000000), wk = 0.0029674 k( 252) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 253) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 254) = ( 0.0125000 -0.0046564 -0.0021030), wk = 0.0029674 k( 255) = ( 0.0250000 -0.0093129 -0.0042061), wk = 0.0029674 k( 256) = ( 0.0375000 -0.0139693 -0.0063091), wk = 0.0029674 k( 257) = ( 0.0500000 -0.0186258 -0.0084121), wk = 0.0029674 k( 258) = ( 0.0625000 -0.0232822 -0.0105152), wk = 0.0029674 k( 259) = ( 0.0750000 -0.0279387 -0.0126182), wk = 0.0029674 k( 260) = ( 0.0875000 -0.0325951 -0.0147212), wk = 0.0029674 k( 261) = ( 0.1000000 -0.0372516 -0.0168243), wk = 0.0029674 k( 262) = ( 0.1125000 -0.0419080 -0.0189273), wk = 0.0029674 k( 263) = ( 0.1250000 -0.0465644 -0.0210303), wk = 0.0029674 k( 264) = ( 0.1375000 -0.0512209 -0.0231334), wk = 0.0029674 k( 265) = ( 0.1500000 -0.0558773 -0.0252364), wk = 0.0029674 k( 266) = ( 0.1625000 -0.0605338 -0.0273394), wk = 0.0029674 k( 267) = ( 0.1750000 -0.0651902 -0.0294425), wk = 0.0029674 k( 268) = ( 0.1875000 -0.0698467 -0.0315455), wk = 0.0029674 k( 269) = ( 0.2000000 -0.0745031 -0.0336485), wk = 0.0029674 k( 270) = ( 0.2125000 -0.0791595 -0.0357516), wk = 0.0029674 k( 271) = ( 0.2250000 -0.0838160 -0.0378546), wk = 0.0029674 k( 272) = ( 0.2375000 -0.0884724 -0.0399576), wk = 0.0029674 k( 273) = ( 0.2500000 -0.0931289 -0.0420607), wk = 0.0029674 k( 274) = ( 0.2625000 -0.0977853 -0.0441637), wk = 0.0029674 k( 275) = ( 0.2750000 -0.1024418 -0.0462667), wk = 0.0029674 k( 276) = ( 0.2875000 -0.1070982 -0.0483698), wk = 0.0029674 k( 277) = ( 0.3000000 -0.1117547 -0.0504728), wk = 0.0029674 k( 278) = ( 0.3125000 -0.1164111 -0.0525758), wk = 0.0029674 k( 279) = ( 0.3250000 -0.1210675 -0.0546789), wk = 0.0029674 k( 280) = ( 0.3375000 -0.1257240 -0.0567819), wk = 0.0029674 k( 281) = ( 0.3500000 -0.1303804 -0.0588849), wk = 0.0029674 k( 282) = ( 0.3625000 -0.1350369 -0.0609880), wk = 0.0029674 k( 283) = ( 0.3750000 -0.1396933 -0.0630910), wk = 0.0029674 k( 284) = ( 0.3875000 -0.1443498 -0.0651940), wk = 0.0029674 k( 285) = ( 0.4000000 -0.1490062 -0.0672971), wk = 0.0029674 k( 286) = ( 0.4125000 -0.1536626 -0.0694001), wk = 0.0029674 k( 287) = ( 0.4250000 -0.1583191 -0.0715031), wk = 0.0029674 k( 288) = ( 0.4375000 -0.1629755 -0.0736062), wk = 0.0029674 k( 289) = ( 0.4500000 -0.1676320 -0.0757092), wk = 0.0029674 k( 290) = ( 0.4625000 -0.1722884 -0.0778122), wk = 0.0029674 k( 291) = ( 0.4750000 -0.1769449 -0.0799153), wk = 0.0029674 k( 292) = ( 0.4875000 -0.1816013 -0.0820183), wk = 0.0029674 k( 293) = ( 0.5000000 -0.1862578 -0.0841213), wk = 0.0029674 k( 294) = ( 0.5000000 -0.1862578 0.2626241), wk = 0.0029674 k( 295) = ( 0.4883721 -0.1819262 0.2565166), wk = 0.0029674 k( 296) = ( 0.4767442 -0.1775946 0.2504090), wk = 0.0029674 k( 297) = ( 0.4651163 -0.1732630 0.2443015), wk = 0.0029674 k( 298) = ( 0.4534884 -0.1689314 0.2381940), wk = 0.0029674 k( 299) = ( 0.4418605 -0.1645999 0.2320864), wk = 0.0029674 k( 300) = ( 0.4302326 -0.1602683 0.2259789), wk = 0.0029674 k( 301) = ( 0.4186047 -0.1559367 0.2198713), wk = 0.0029674 k( 302) = ( 0.4069767 -0.1516051 0.2137638), wk = 0.0029674 k( 303) = ( 0.3953488 -0.1472736 0.2076563), wk = 0.0029674 k( 304) = ( 0.3837209 -0.1429420 0.2015487), wk = 0.0029674 k( 305) = ( 0.3720930 -0.1386104 0.1954412), wk = 0.0029674 k( 306) = ( 0.3604651 -0.1342788 0.1893337), wk = 0.0029674 k( 307) = ( 0.3488372 -0.1299473 0.1832261), wk = 0.0029674 k( 308) = ( 0.3372093 -0.1256157 0.1771186), wk = 0.0029674 k( 309) = ( 0.3255814 -0.1212841 0.1710111), wk = 0.0029674 k( 310) = ( 0.3139535 -0.1169525 0.1649035), wk = 0.0029674 k( 311) = ( 0.3023256 -0.1126210 0.1587960), wk = 0.0029674 k( 312) = ( 0.2906977 -0.1082894 0.1526884), wk = 0.0029674 k( 313) = ( 0.2790698 -0.1039578 0.1465809), wk = 0.0029674 k( 314) = ( 0.2674419 -0.0996262 0.1404734), wk = 0.0029674 k( 315) = ( 0.2558140 -0.0952947 0.1343658), wk = 0.0029674 k( 316) = ( 0.2441860 -0.0909631 0.1282583), wk = 0.0029674 k( 317) = ( 0.2325581 -0.0866315 0.1221508), wk = 0.0029674 k( 318) = ( 0.2209302 -0.0822999 0.1160432), wk = 0.0029674 k( 319) = ( 0.2093023 -0.0779684 0.1099357), wk = 0.0029674 k( 320) = ( 0.1976744 -0.0736368 0.1038281), wk = 0.0029674 k( 321) = ( 0.1860465 -0.0693052 0.0977206), wk = 0.0029674 k( 322) = ( 0.1744186 -0.0649736 0.0916131), wk = 0.0029674 k( 323) = ( 0.1627907 -0.0606421 0.0855055), wk = 0.0029674 k( 324) = ( 0.1511628 -0.0563105 0.0793980), wk = 0.0029674 k( 325) = ( 0.1395349 -0.0519789 0.0732904), wk = 0.0029674 k( 326) = ( 0.1279070 -0.0476473 0.0671829), wk = 0.0029674 k( 327) = ( 0.1162791 -0.0433158 0.0610754), wk = 0.0029674 k( 328) = ( 0.1046512 -0.0389842 0.0549678), wk = 0.0029674 k( 329) = ( 0.0930233 -0.0346526 0.0488603), wk = 0.0029674 k( 330) = ( 0.0813954 -0.0303210 0.0427528), wk = 0.0029674 k( 331) = ( 0.0697674 -0.0259895 0.0366452), wk = 0.0029674 k( 332) = ( 0.0581395 -0.0216579 0.0305377), wk = 0.0029674 k( 333) = ( 0.0465116 -0.0173263 0.0244302), wk = 0.0029674 k( 334) = ( 0.0348837 -0.0129947 0.0183226), wk = 0.0029674 k( 335) = ( 0.0232558 -0.0086631 0.0122151), wk = 0.0029674 k( 336) = ( 0.0116279 -0.0043316 0.0061075), wk = 0.0029674 k( 337) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0108696 0.0108696 0.0000000), wk = 0.0029674 k( 3) = ( 0.0217391 0.0217391 0.0000000), wk = 0.0029674 k( 4) = ( 0.0326087 0.0326087 0.0000000), wk = 0.0029674 k( 5) = ( 0.0434783 0.0434783 0.0000000), wk = 0.0029674 k( 6) = ( 0.0543478 0.0543478 0.0000000), wk = 0.0029674 k( 7) = ( 0.0652174 0.0652174 0.0000000), wk = 0.0029674 k( 8) = ( 0.0760870 0.0760870 0.0000000), wk = 0.0029674 k( 9) = ( 0.0869565 0.0869565 0.0000000), wk = 0.0029674 k( 10) = ( 0.0978261 0.0978261 0.0000000), wk = 0.0029674 k( 11) = ( 0.1086957 0.1086957 0.0000000), wk = 0.0029674 k( 12) = ( 0.1195652 0.1195652 0.0000000), wk = 0.0029674 k( 13) = ( 0.1304348 0.1304348 0.0000000), wk = 0.0029674 k( 14) = ( 0.1413043 0.1413044 0.0000000), wk = 0.0029674 k( 15) = ( 0.1521739 0.1521739 0.0000000), wk = 0.0029674 k( 16) = ( 0.1630435 0.1630435 0.0000000), wk = 0.0029674 k( 17) = ( 0.1739130 0.1739130 0.0000000), wk = 0.0029674 k( 18) = ( 0.1847826 0.1847826 0.0000000), wk = 0.0029674 k( 19) = ( 0.1956522 0.1956522 0.0000000), wk = 0.0029674 k( 20) = ( 0.2065217 0.2065217 0.0000000), wk = 0.0029674 k( 21) = ( 0.2173913 0.2173913 0.0000000), wk = 0.0029674 k( 22) = ( 0.2282609 0.2282609 0.0000000), wk = 0.0029674 k( 23) = ( 0.2391304 0.2391304 0.0000000), wk = 0.0029674 k( 24) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0029674 k( 25) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0029674 k( 26) = ( 0.2717391 0.2717391 0.0000000), wk = 0.0029674 k( 27) = ( 0.2826087 0.2826087 0.0000000), wk = 0.0029674 k( 28) = ( 0.2934783 0.2934783 0.0000000), wk = 0.0029674 k( 29) = ( 0.3043478 0.3043478 0.0000000), wk = 0.0029674 k( 30) = ( 0.3152174 0.3152174 0.0000000), wk = 0.0029674 k( 31) = ( 0.3260870 0.3260870 0.0000000), wk = 0.0029674 k( 32) = ( 0.3369565 0.3369565 0.0000000), wk = 0.0029674 k( 33) = ( 0.3478261 0.3478261 0.0000000), wk = 0.0029674 k( 34) = ( 0.3586956 0.3586957 0.0000000), wk = 0.0029674 k( 35) = ( 0.3695652 0.3695652 0.0000000), wk = 0.0029674 k( 36) = ( 0.3804348 0.3804348 -0.0000000), wk = 0.0029674 k( 37) = ( 0.3913044 0.3913044 0.0000000), wk = 0.0029674 k( 38) = ( 0.4021739 0.4021739 0.0000000), wk = 0.0029674 k( 39) = ( 0.4130435 0.4130435 0.0000000), wk = 0.0029674 k( 40) = ( 0.4239130 0.4239130 0.0000000), wk = 0.0029674 k( 41) = ( 0.4347826 0.4347826 -0.0000000), wk = 0.0029674 k( 42) = ( 0.4456522 0.4456522 0.0000000), wk = 0.0029674 k( 43) = ( 0.4565217 0.4565217 0.0000000), wk = 0.0029674 k( 44) = ( 0.4673913 0.4673913 0.0000000), wk = 0.0029674 k( 45) = ( 0.4782609 0.4782609 0.0000000), wk = 0.0029674 k( 46) = ( 0.4891304 0.4891304 0.0000000), wk = 0.0029674 k( 47) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029674 k( 48) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029674 k( 49) = ( 0.5028940 0.5028940 0.0197897), wk = 0.0029674 k( 50) = ( 0.5057879 0.5057879 0.0395794), wk = 0.0029674 k( 51) = ( 0.5086818 0.5086818 0.0593691), wk = 0.0029674 k( 52) = ( 0.5115758 0.5115758 0.0791588), wk = 0.0029674 k( 53) = ( 0.5144698 0.5144698 0.0989485), wk = 0.0029674 k( 54) = ( 0.5173637 0.5173637 0.1187382), wk = 0.0029674 k( 55) = ( 0.5202577 0.5202577 0.1385279), wk = 0.0029674 k( 56) = ( 0.5231516 0.5231516 0.1583175), wk = 0.0029674 k( 57) = ( 0.5260456 0.5260456 0.1781072), wk = 0.0029674 k( 58) = ( 0.5289395 0.5289395 0.1978969), wk = 0.0029674 k( 59) = ( 0.5318335 0.5318335 0.2176866), wk = 0.0029674 k( 60) = ( 0.5347274 0.5347274 0.2374763), wk = 0.0029674 k( 61) = ( 0.5376214 0.5376214 0.2572660), wk = 0.0029674 k( 62) = ( 0.5405153 0.5405153 0.2770557), wk = 0.0029674 k( 63) = ( 0.5405153 0.5405153 0.2770557), wk = 0.0029674 k( 64) = ( 0.5373988 0.5373988 0.2942053), wk = 0.0029674 k( 65) = ( 0.5342822 0.5342822 0.3113548), wk = 0.0029674 k( 66) = ( 0.5311656 0.5311656 0.3285044), wk = 0.0029674 k( 67) = ( 0.5280491 0.5280491 0.3456539), wk = 0.0029674 k( 68) = ( 0.5249325 0.5249325 0.3628035), wk = 0.0029674 k( 69) = ( 0.5218159 0.5218159 0.3799531), wk = 0.0029674 k( 70) = ( 0.5186994 0.5186994 0.3971026), wk = 0.0029674 k( 71) = ( 0.5155828 0.5155828 0.4142522), wk = 0.0029674 k( 72) = ( 0.5124663 0.5124663 0.4314017), wk = 0.0029674 k( 73) = ( 0.5093497 0.5093497 0.4485513), wk = 0.0029674 k( 74) = ( 0.5062331 0.5062331 0.4657009), wk = 0.0029674 k( 75) = ( 0.5031166 0.5031166 0.4828504), wk = 0.0029674 k( 76) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029674 k( 77) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029674 k( 78) = ( 0.5075304 0.4924696 0.5000000), wk = 0.0029674 k( 79) = ( 0.5150608 0.4849392 0.5000000), wk = 0.0029674 k( 80) = ( 0.5225911 0.4774089 0.5000000), wk = 0.0029674 k( 81) = ( 0.5301215 0.4698785 0.5000000), wk = 0.0029674 k( 82) = ( 0.5376519 0.4623481 0.5000000), wk = 0.0029674 k( 83) = ( 0.5451823 0.4548177 0.5000000), wk = 0.0029674 k( 84) = ( 0.5527127 0.4472873 0.5000000), wk = 0.0029674 k( 85) = ( 0.5602430 0.4397570 0.5000000), wk = 0.0029674 k( 86) = ( 0.5677734 0.4322266 0.5000000), wk = 0.0029674 k( 87) = ( 0.5753038 0.4246962 0.5000000), wk = 0.0029674 k( 88) = ( 0.5828342 0.4171658 0.5000000), wk = 0.0029674 k( 89) = ( 0.5903646 0.4096354 0.5000000), wk = 0.0029674 k( 90) = ( 0.5978950 0.4021050 0.5000000), wk = 0.0029674 k( 91) = ( 0.6054253 0.3945747 0.5000000), wk = 0.0029674 k( 92) = ( 0.6129557 0.3870443 0.5000000), wk = 0.0029674 k( 93) = ( 0.6204861 0.3795139 0.5000000), wk = 0.0029674 k( 94) = ( 0.6280165 0.3719835 0.5000000), wk = 0.0029674 k( 95) = ( 0.6355469 0.3644531 0.5000000), wk = 0.0029674 k( 96) = ( 0.6430773 0.3569228 0.5000000), wk = 0.0029674 k( 97) = ( 0.6506076 0.3493924 0.5000000), wk = 0.0029674 k( 98) = ( 0.6581380 0.3418620 0.5000000), wk = 0.0029674 k( 99) = ( 0.3418620 -0.3418620 0.5000000), wk = 0.0029674 k( 100) = ( 0.3340924 -0.3340924 0.5000000), wk = 0.0029674 k( 101) = ( 0.3263228 -0.3263228 0.5000000), wk = 0.0029674 k( 102) = ( 0.3185532 -0.3185532 0.5000000), wk = 0.0029674 k( 103) = ( 0.3107836 -0.3107836 0.5000000), wk = 0.0029674 k( 104) = ( 0.3030140 -0.3030140 0.5000000), wk = 0.0029674 k( 105) = ( 0.2952444 -0.2952444 0.5000000), wk = 0.0029674 k( 106) = ( 0.2874749 -0.2874749 0.5000000), wk = 0.0029674 k( 107) = ( 0.2797053 -0.2797053 0.5000000), wk = 0.0029674 k( 108) = ( 0.2719357 -0.2719357 0.5000000), wk = 0.0029674 k( 109) = ( 0.2641661 -0.2641661 0.5000000), wk = 0.0029674 k( 110) = ( 0.2563965 -0.2563965 0.5000000), wk = 0.0029674 k( 111) = ( 0.2486269 -0.2486269 0.5000000), wk = 0.0029674 k( 112) = ( 0.2408573 -0.2408573 0.5000000), wk = 0.0029674 k( 113) = ( 0.2330877 -0.2330877 0.5000000), wk = 0.0029674 k( 114) = ( 0.2253181 -0.2253181 0.5000000), wk = 0.0029674 k( 115) = ( 0.2175485 -0.2175485 0.5000000), wk = 0.0029674 k( 116) = ( 0.2097789 -0.2097790 0.5000000), wk = 0.0029674 k( 117) = ( 0.2020094 -0.2020094 0.5000000), wk = 0.0029674 k( 118) = ( 0.1942398 -0.1942398 0.5000000), wk = 0.0029674 k( 119) = ( 0.1864702 -0.1864702 0.5000000), wk = 0.0029674 k( 120) = ( 0.1787006 -0.1787006 0.5000000), wk = 0.0029674 k( 121) = ( 0.1709310 -0.1709310 0.5000000), wk = 0.0029674 k( 122) = ( 0.1631614 -0.1631614 0.5000000), wk = 0.0029674 k( 123) = ( 0.1553918 -0.1553918 0.5000000), wk = 0.0029674 k( 124) = ( 0.1476222 -0.1476222 0.5000000), wk = 0.0029674 k( 125) = ( 0.1398526 -0.1398526 0.5000000), wk = 0.0029674 k( 126) = ( 0.1320830 -0.1320830 0.5000000), wk = 0.0029674 k( 127) = ( 0.1243135 -0.1243135 0.5000000), wk = 0.0029674 k( 128) = ( 0.1165439 -0.1165439 0.5000000), wk = 0.0029674 k( 129) = ( 0.1087743 -0.1087743 0.5000000), wk = 0.0029674 k( 130) = ( 0.1010047 -0.1010047 0.5000000), wk = 0.0029674 k( 131) = ( 0.0932351 -0.0932351 0.5000000), wk = 0.0029674 k( 132) = ( 0.0854655 -0.0854655 0.5000000), wk = 0.0029674 k( 133) = ( 0.0776959 -0.0776959 0.5000000), wk = 0.0029674 k( 134) = ( 0.0699263 -0.0699263 0.5000000), wk = 0.0029674 k( 135) = ( 0.0621567 -0.0621567 0.5000000), wk = 0.0029674 k( 136) = ( 0.0543871 -0.0543871 0.5000000), wk = 0.0029674 k( 137) = ( 0.0466175 -0.0466175 0.5000000), wk = 0.0029674 k( 138) = ( 0.0388479 -0.0388480 0.5000000), wk = 0.0029674 k( 139) = ( 0.0310784 -0.0310784 0.5000000), wk = 0.0029674 k( 140) = ( 0.0233088 -0.0233088 0.5000000), wk = 0.0029674 k( 141) = ( 0.0155392 -0.0155392 0.5000000), wk = 0.0029674 k( 142) = ( 0.0077696 -0.0077696 0.5000000), wk = 0.0029674 k( 143) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029674 k( 144) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029674 k( 145) = ( 0.0112069 0.0112069 0.5054377), wk = 0.0029674 k( 146) = ( 0.0224139 0.0224139 0.5108753), wk = 0.0029674 k( 147) = ( 0.0336208 0.0336208 0.5163130), wk = 0.0029674 k( 148) = ( 0.0448278 0.0448278 0.5217507), wk = 0.0029674 k( 149) = ( 0.0560347 0.0560347 0.5271883), wk = 0.0029674 k( 150) = ( 0.0672417 0.0672417 0.5326260), wk = 0.0029674 k( 151) = ( 0.0784486 0.0784486 0.5380637), wk = 0.0029674 k( 152) = ( 0.0896556 0.0896556 0.5435013), wk = 0.0029674 k( 153) = ( 0.1008625 0.1008625 0.5489390), wk = 0.0029674 k( 154) = ( 0.1120694 0.1120694 0.5543767), wk = 0.0029674 k( 155) = ( 0.1232764 0.1232764 0.5598143), wk = 0.0029674 k( 156) = ( 0.1344833 0.1344833 0.5652520), wk = 0.0029674 k( 157) = ( 0.1456903 0.1456903 0.5706897), wk = 0.0029674 k( 158) = ( 0.1568972 0.1568972 0.5761273), wk = 0.0029674 k( 159) = ( 0.1681042 0.1681042 0.5815650), wk = 0.0029674 k( 160) = ( 0.1793111 0.1793111 0.5870026), wk = 0.0029674 k( 161) = ( 0.1905180 0.1905180 0.5924403), wk = 0.0029674 k( 162) = ( 0.2017250 0.2017250 0.5978780), wk = 0.0029674 k( 163) = ( 0.2129319 0.2129319 0.6033156), wk = 0.0029674 k( 164) = ( 0.2241389 0.2241389 0.6087533), wk = 0.0029674 k( 165) = ( 0.2353458 0.2353458 0.6141910), wk = 0.0029674 k( 166) = ( 0.2465528 0.2465528 0.6196287), wk = 0.0029674 k( 167) = ( 0.2577597 0.2577597 0.6250663), wk = 0.0029674 k( 168) = ( 0.2689666 0.2689666 0.6305040), wk = 0.0029674 k( 169) = ( 0.2801736 0.2801736 0.6359417), wk = 0.0029674 k( 170) = ( 0.2913805 0.2913805 0.6413793), wk = 0.0029674 k( 171) = ( 0.3025875 0.3025875 0.6468170), wk = 0.0029674 k( 172) = ( 0.3137944 0.3137944 0.6522546), wk = 0.0029674 k( 173) = ( 0.3250014 0.3250014 0.6576923), wk = 0.0029674 k( 174) = ( 0.3362083 0.3362083 0.6631300), wk = 0.0029674 k( 175) = ( 0.3474153 0.3474153 0.6685676), wk = 0.0029674 k( 176) = ( 0.3586222 0.3586222 0.6740053), wk = 0.0029674 k( 177) = ( 0.3698291 0.3698291 0.6794430), wk = 0.0029674 k( 178) = ( 0.3810361 0.3810361 0.6848806), wk = 0.0029674 k( 179) = ( 0.3922430 0.3922430 0.6903183), wk = 0.0029674 k( 180) = ( 0.4034500 0.4034500 0.6957560), wk = 0.0029674 k( 181) = ( 0.4146569 0.4146569 0.7011936), wk = 0.0029674 k( 182) = ( 0.4258638 0.4258639 0.7066313), wk = 0.0029674 k( 183) = ( 0.4370708 0.4370708 0.7120690), wk = 0.0029674 k( 184) = ( 0.4482777 0.4482777 0.7175066), wk = 0.0029674 k( 185) = ( 0.4594847 0.4594847 0.7229443), wk = 0.0029674 k( 186) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029674 k( 187) = ( 0.5075103 0.4924897 0.0000000), wk = 0.0029674 k( 188) = ( 0.5150206 0.4849794 -0.0000000), wk = 0.0029674 k( 189) = ( 0.5225310 0.4774690 0.0000000), wk = 0.0029674 k( 190) = ( 0.5300413 0.4699587 0.0000000), wk = 0.0029674 k( 191) = ( 0.5375516 0.4624484 0.0000000), wk = 0.0029674 k( 192) = ( 0.5450619 0.4549381 0.0000000), wk = 0.0029674 k( 193) = ( 0.5525722 0.4474278 0.0000000), wk = 0.0029674 k( 194) = ( 0.5600826 0.4399174 0.0000000), wk = 0.0029674 k( 195) = ( 0.5675929 0.4324071 0.0000000), wk = 0.0029674 k( 196) = ( 0.5751032 0.4248968 0.0000000), wk = 0.0029674 k( 197) = ( 0.5826135 0.4173865 0.0000000), wk = 0.0029674 k( 198) = ( 0.5901239 0.4098761 0.0000000), wk = 0.0029674 k( 199) = ( 0.5976342 0.4023658 0.0000000), wk = 0.0029674 k( 200) = ( 0.6051445 0.3948555 0.0000000), wk = 0.0029674 k( 201) = ( 0.6126548 0.3873452 0.0000000), wk = 0.0029674 k( 202) = ( 0.6201651 0.3798349 0.0000000), wk = 0.0029674 k( 203) = ( 0.3798349 -0.3798349 -0.0000000), wk = 0.0029674 k( 204) = ( 0.3720831 -0.3720831 -0.0000000), wk = 0.0029674 k( 205) = ( 0.3643314 -0.3643314 -0.0000000), wk = 0.0029674 k( 206) = ( 0.3565797 -0.3565797 -0.0000000), wk = 0.0029674 k( 207) = ( 0.3488279 -0.3488279 0.0000000), wk = 0.0029674 k( 208) = ( 0.3410762 -0.3410762 0.0000000), wk = 0.0029674 k( 209) = ( 0.3333245 -0.3333245 0.0000000), wk = 0.0029674 k( 210) = ( 0.3255727 -0.3255727 -0.0000000), wk = 0.0029674 k( 211) = ( 0.3178210 -0.3178210 -0.0000000), wk = 0.0029674 k( 212) = ( 0.3100693 -0.3100693 -0.0000000), wk = 0.0029674 k( 213) = ( 0.3023175 -0.3023175 -0.0000000), wk = 0.0029674 k( 214) = ( 0.2945658 -0.2945658 -0.0000000), wk = 0.0029674 k( 215) = ( 0.2868141 -0.2868141 -0.0000000), wk = 0.0029674 k( 216) = ( 0.2790624 -0.2790624 -0.0000000), wk = 0.0029674 k( 217) = ( 0.2713106 -0.2713106 -0.0000000), wk = 0.0029674 k( 218) = ( 0.2635589 -0.2635589 0.0000000), wk = 0.0029674 k( 219) = ( 0.2558071 -0.2558071 -0.0000000), wk = 0.0029674 k( 220) = ( 0.2480554 -0.2480554 -0.0000000), wk = 0.0029674 k( 221) = ( 0.2403037 -0.2403037 -0.0000000), wk = 0.0029674 k( 222) = ( 0.2325520 -0.2325520 -0.0000000), wk = 0.0029674 k( 223) = ( 0.2248002 -0.2248002 0.0000000), wk = 0.0029674 k( 224) = ( 0.2170485 -0.2170485 -0.0000000), wk = 0.0029674 k( 225) = ( 0.2092968 -0.2092968 -0.0000000), wk = 0.0029674 k( 226) = ( 0.2015450 -0.2015450 -0.0000000), wk = 0.0029674 k( 227) = ( 0.1937933 -0.1937933 -0.0000000), wk = 0.0029674 k( 228) = ( 0.1860416 -0.1860416 -0.0000000), wk = 0.0029674 k( 229) = ( 0.1782898 -0.1782898 -0.0000000), wk = 0.0029674 k( 230) = ( 0.1705381 -0.1705381 0.0000000), wk = 0.0029674 k( 231) = ( 0.1627864 -0.1627864 -0.0000000), wk = 0.0029674 k( 232) = ( 0.1550346 -0.1550346 -0.0000000), wk = 0.0029674 k( 233) = ( 0.1472829 -0.1472829 0.0000000), wk = 0.0029674 k( 234) = ( 0.1395312 -0.1395312 0.0000000), wk = 0.0029674 k( 235) = ( 0.1317794 -0.1317794 0.0000000), wk = 0.0029674 k( 236) = ( 0.1240277 -0.1240277 -0.0000000), wk = 0.0029674 k( 237) = ( 0.1162760 -0.1162760 -0.0000000), wk = 0.0029674 k( 238) = ( 0.1085243 -0.1085243 -0.0000000), wk = 0.0029674 k( 239) = ( 0.1007725 -0.1007725 -0.0000000), wk = 0.0029674 k( 240) = ( 0.0930208 -0.0930208 -0.0000000), wk = 0.0029674 k( 241) = ( 0.0852690 -0.0852690 0.0000000), wk = 0.0029674 k( 242) = ( 0.0775173 -0.0775173 -0.0000000), wk = 0.0029674 k( 243) = ( 0.0697656 -0.0697656 -0.0000000), wk = 0.0029674 k( 244) = ( 0.0620139 -0.0620139 -0.0000000), wk = 0.0029674 k( 245) = ( 0.0542621 -0.0542621 0.0000000), wk = 0.0029674 k( 246) = ( 0.0465104 -0.0465104 -0.0000000), wk = 0.0029674 k( 247) = ( 0.0387587 -0.0387587 -0.0000000), wk = 0.0029674 k( 248) = ( 0.0310069 -0.0310069 -0.0000000), wk = 0.0029674 k( 249) = ( 0.0232552 -0.0232552 0.0000000), wk = 0.0029674 k( 250) = ( 0.0155035 -0.0155035 -0.0000000), wk = 0.0029674 k( 251) = ( 0.0077517 -0.0077517 -0.0000000), wk = 0.0029674 k( 252) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 253) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 254) = ( 0.0125000 -0.0000000 0.0000000), wk = 0.0029674 k( 255) = ( 0.0250000 -0.0000000 0.0000000), wk = 0.0029674 k( 256) = ( 0.0375000 0.0000000 -0.0000000), wk = 0.0029674 k( 257) = ( 0.0500000 -0.0000000 0.0000000), wk = 0.0029674 k( 258) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0029674 k( 259) = ( 0.0750000 0.0000000 -0.0000000), wk = 0.0029674 k( 260) = ( 0.0875000 -0.0000000 -0.0000000), wk = 0.0029674 k( 261) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0029674 k( 262) = ( 0.1125000 0.0000000 -0.0000000), wk = 0.0029674 k( 263) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0029674 k( 264) = ( 0.1375000 -0.0000000 0.0000000), wk = 0.0029674 k( 265) = ( 0.1500000 0.0000000 -0.0000000), wk = 0.0029674 k( 266) = ( 0.1625000 0.0000000 0.0000000), wk = 0.0029674 k( 267) = ( 0.1750000 -0.0000000 -0.0000000), wk = 0.0029674 k( 268) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0029674 k( 269) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0029674 k( 270) = ( 0.2125000 -0.0000000 -0.0000000), wk = 0.0029674 k( 271) = ( 0.2250000 0.0000000 -0.0000000), wk = 0.0029674 k( 272) = ( 0.2375000 0.0000000 0.0000000), wk = 0.0029674 k( 273) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0029674 k( 274) = ( 0.2625000 -0.0000000 0.0000000), wk = 0.0029674 k( 275) = ( 0.2750000 -0.0000000 0.0000000), wk = 0.0029674 k( 276) = ( 0.2875000 0.0000000 0.0000000), wk = 0.0029674 k( 277) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0029674 k( 278) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0029674 k( 279) = ( 0.3250000 0.0000000 0.0000000), wk = 0.0029674 k( 280) = ( 0.3375000 -0.0000000 -0.0000000), wk = 0.0029674 k( 281) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0029674 k( 282) = ( 0.3625000 0.0000000 0.0000000), wk = 0.0029674 k( 283) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0029674 k( 284) = ( 0.3875000 -0.0000000 -0.0000000), wk = 0.0029674 k( 285) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0029674 k( 286) = ( 0.4125000 0.0000000 0.0000000), wk = 0.0029674 k( 287) = ( 0.4250000 -0.0000000 -0.0000000), wk = 0.0029674 k( 288) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0029674 k( 289) = ( 0.4500000 0.0000000 -0.0000000), wk = 0.0029674 k( 290) = ( 0.4625000 -0.0000000 0.0000000), wk = 0.0029674 k( 291) = ( 0.4750000 0.0000000 0.0000000), wk = 0.0029674 k( 292) = ( 0.4875000 -0.0000000 -0.0000000), wk = 0.0029674 k( 293) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029674 k( 294) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029674 k( 295) = ( 0.4883721 0.0000000 0.4883721), wk = 0.0029674 k( 296) = ( 0.4767442 0.0000000 0.4767442), wk = 0.0029674 k( 297) = ( 0.4651163 -0.0000000 0.4651163), wk = 0.0029674 k( 298) = ( 0.4534884 0.0000000 0.4534884), wk = 0.0029674 k( 299) = ( 0.4418605 0.0000000 0.4418605), wk = 0.0029674 k( 300) = ( 0.4302326 -0.0000000 0.4302326), wk = 0.0029674 k( 301) = ( 0.4186047 -0.0000000 0.4186047), wk = 0.0029674 k( 302) = ( 0.4069767 -0.0000000 0.4069767), wk = 0.0029674 k( 303) = ( 0.3953488 0.0000000 0.3953488), wk = 0.0029674 k( 304) = ( 0.3837209 0.0000000 0.3837209), wk = 0.0029674 k( 305) = ( 0.3720930 0.0000000 0.3720930), wk = 0.0029674 k( 306) = ( 0.3604651 -0.0000000 0.3604651), wk = 0.0029674 k( 307) = ( 0.3488372 0.0000000 0.3488372), wk = 0.0029674 k( 308) = ( 0.3372093 -0.0000000 0.3372093), wk = 0.0029674 k( 309) = ( 0.3255814 -0.0000000 0.3255814), wk = 0.0029674 k( 310) = ( 0.3139535 -0.0000000 0.3139535), wk = 0.0029674 k( 311) = ( 0.3023256 -0.0000000 0.3023256), wk = 0.0029674 k( 312) = ( 0.2906977 -0.0000000 0.2906977), wk = 0.0029674 k( 313) = ( 0.2790698 -0.0000000 0.2790698), wk = 0.0029674 k( 314) = ( 0.2674419 0.0000000 0.2674419), wk = 0.0029674 k( 315) = ( 0.2558140 -0.0000000 0.2558140), wk = 0.0029674 k( 316) = ( 0.2441860 0.0000000 0.2441860), wk = 0.0029674 k( 317) = ( 0.2325581 -0.0000000 0.2325581), wk = 0.0029674 k( 318) = ( 0.2209302 0.0000000 0.2209302), wk = 0.0029674 k( 319) = ( 0.2093023 0.0000000 0.2093023), wk = 0.0029674 k( 320) = ( 0.1976744 0.0000000 0.1976744), wk = 0.0029674 k( 321) = ( 0.1860465 0.0000000 0.1860465), wk = 0.0029674 k( 322) = ( 0.1744186 -0.0000000 0.1744186), wk = 0.0029674 k( 323) = ( 0.1627907 -0.0000000 0.1627907), wk = 0.0029674 k( 324) = ( 0.1511628 -0.0000000 0.1511628), wk = 0.0029674 k( 325) = ( 0.1395349 -0.0000000 0.1395349), wk = 0.0029674 k( 326) = ( 0.1279070 0.0000000 0.1279070), wk = 0.0029674 k( 327) = ( 0.1162791 -0.0000000 0.1162791), wk = 0.0029674 k( 328) = ( 0.1046512 0.0000000 0.1046512), wk = 0.0029674 k( 329) = ( 0.0930233 0.0000000 0.0930233), wk = 0.0029674 k( 330) = ( 0.0813954 -0.0000000 0.0813954), wk = 0.0029674 k( 331) = ( 0.0697674 -0.0000000 0.0697674), wk = 0.0029674 k( 332) = ( 0.0581395 0.0000000 0.0581395), wk = 0.0029674 k( 333) = ( 0.0465116 0.0000000 0.0465116), wk = 0.0029674 k( 334) = ( 0.0348837 -0.0000000 0.0348837), wk = 0.0029674 k( 335) = ( 0.0232558 0.0000000 0.0232558), wk = 0.0029674 k( 336) = ( 0.0116279 -0.0000000 0.0116279), wk = 0.0029674 k( 337) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 Dense grid: 74233 G-vectors FFT dimensions: ( 48, 48, 72) Smooth grid: 32653 G-vectors FFT dimensions: ( 36, 36, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 180, 60) NL pseudopotentials 0.20 Mb ( 90, 142) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1546) G-vector shells 0.01 Mb ( 1515) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.66 Mb ( 180, 240) Each subspace H/S matrix 0.88 Mb ( 240, 240) Each matrix 0.26 Mb ( 142, 2, 60) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./BixBO2x3.save/charge-density.dat negative rho (up, down): 7.488E-05 0.000E+00 Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 39.6 secs Computing kpt #: 2 total cpu time spent up to now is 42.7 secs Computing kpt #: 3 total cpu time spent up to now is 45.5 secs Computing kpt #: 4 total cpu time spent up to now is 48.3 secs Computing kpt #: 5 total cpu time spent up to now is 51.2 secs Computing kpt #: 6 total cpu time spent up to now is 54.1 secs Computing kpt #: 7 total cpu time spent up to now is 57.0 secs Computing kpt #: 8 total cpu time spent up to now is 60.0 secs Computing kpt #: 9 total cpu time spent up to now is 63.1 secs Computing kpt #: 10 total cpu time spent up to now is 66.1 secs Computing kpt #: 11 total cpu time spent up to now is 69.1 secs Computing kpt #: 12 total cpu time spent up to now is 72.0 secs Computing kpt #: 13 total cpu time spent up to now is 75.0 secs Computing kpt #: 14 total cpu time spent up to now is 78.0 secs Computing kpt #: 15 total cpu time spent up to now is 81.0 secs Computing kpt #: 16 total cpu time spent up to now is 83.9 secs Computing kpt #: 17 total cpu time spent up to now is 86.9 secs Computing kpt #: 18 total cpu time spent up to now is 90.1 secs Computing kpt #: 19 total cpu time spent up to now is 93.0 secs Computing kpt #: 20 total cpu time spent up to now is 96.0 secs Computing kpt #: 21 total cpu time spent up to now is 98.9 secs Computing kpt #: 22 total cpu time spent up to now is 101.8 secs Computing kpt #: 23 total cpu time spent up to now is 105.2 secs Computing kpt #: 24 total cpu time spent up to now is 108.4 secs Computing kpt #: 25 total cpu time spent up to now is 112.2 secs Computing kpt #: 26 total cpu time spent up to now is 115.5 secs Computing kpt #: 27 total cpu time spent up to now is 118.5 secs Computing kpt #: 28 total cpu time spent up to now is 121.3 secs Computing kpt #: 29 total cpu time spent up to now is 124.0 secs Computing kpt #: 30 total cpu time spent up to now is 126.7 secs Computing kpt #: 31 total cpu time spent up to now is 129.3 secs Computing kpt #: 32 total cpu time spent up to now is 131.9 secs Computing kpt #: 33 total cpu time spent up to now is 134.5 secs Computing kpt #: 34 total cpu time spent up to now is 137.3 secs Computing kpt #: 35 total cpu time spent up to now is 139.7 secs Computing kpt #: 36 total cpu time spent up to now is 142.2 secs Computing kpt #: 37 total cpu time spent up to now is 144.6 secs Computing kpt #: 38 total cpu time spent up to now is 147.1 secs Computing kpt #: 39 total cpu time spent up to now is 149.5 secs Computing kpt #: 40 total cpu time spent up to now is 151.8 secs Computing kpt #: 41 total cpu time spent up to now is 154.1 secs Computing kpt #: 42 total cpu time spent up to now is 156.5 secs Computing kpt #: 43 total cpu time spent up to now is 158.8 secs Computing kpt #: 44 total cpu time spent up to now is 161.1 secs Computing kpt #: 45 total cpu time spent up to now is 163.5 secs Computing kpt #: 46 total cpu time spent up to now is 165.8 secs Computing kpt #: 47 total cpu time spent up to now is 168.1 secs Computing kpt #: 48 total cpu time spent up to now is 170.3 secs Computing kpt #: 49 total cpu time spent up to now is 172.9 secs Computing kpt #: 50 total cpu time spent up to now is 175.8 secs Computing kpt #: 51 total cpu time spent up to now is 178.2 secs Computing kpt #: 52 total cpu time spent up to now is 180.5 secs Computing kpt #: 53 total cpu time spent up to now is 182.8 secs Computing kpt #: 54 total cpu time spent up to now is 185.4 secs Computing kpt #: 55 total cpu time spent up to now is 188.5 secs Computing kpt #: 56 total cpu time spent up to now is 191.3 secs Computing kpt #: 57 total cpu time spent up to now is 193.7 secs Computing kpt #: 58 total cpu time spent up to now is 196.1 secs Computing kpt #: 59 total cpu time spent up to now is 198.6 secs Computing kpt #: 60 total cpu time spent up to now is 200.9 secs Computing kpt #: 61 total cpu time spent up to now is 203.5 secs Computing kpt #: 62 total cpu time spent up to now is 205.9 secs Computing kpt #: 63 total cpu time spent up to now is 208.4 secs Computing kpt #: 64 total cpu time spent up to now is 211.0 secs Computing kpt #: 65 total cpu time spent up to now is 213.4 secs Computing kpt #: 66 total cpu time spent up to now is 215.9 secs Computing kpt #: 67 total cpu time spent up to now is 218.3 secs Computing kpt #: 68 total cpu time spent up to now is 220.7 secs Computing kpt #: 69 total cpu time spent up to now is 223.0 secs Computing kpt #: 70 total cpu time spent up to now is 225.7 secs Computing kpt #: 71 total cpu time spent up to now is 228.1 secs Computing kpt #: 72 total cpu time spent up to now is 230.8 secs Computing kpt #: 73 total cpu time spent up to now is 233.6 secs Computing kpt #: 74 total cpu time spent up to now is 236.1 secs Computing kpt #: 75 total cpu time spent up to now is 238.5 secs Computing kpt #: 76 total cpu time spent up to now is 240.7 secs Computing kpt #: 77 total cpu time spent up to now is 243.1 secs Computing kpt #: 78 total cpu time spent up to now is 245.5 secs Computing kpt #: 79 total cpu time spent up to now is 248.0 secs Computing kpt #: 80 total cpu time spent up to now is 250.4 secs Computing kpt #: 81 total cpu time spent up to now is 252.9 secs Computing kpt #: 82 total cpu time spent up to now is 255.3 secs Computing kpt #: 83 total cpu time spent up to now is 257.9 secs Computing kpt #: 84 total cpu time spent up to now is 260.2 secs Computing kpt #: 85 total cpu time spent up to now is 262.6 secs Computing kpt #: 86 total cpu time spent up to now is 265.0 secs Computing kpt #: 87 total cpu time spent up to now is 267.4 secs Computing kpt #: 88 total cpu time spent up to now is 269.7 secs Computing kpt #: 89 total cpu time spent up to now is 272.0 secs Computing kpt #: 90 total cpu time spent up to now is 274.4 secs Computing kpt #: 91 total cpu time spent up to now is 276.7 secs Computing kpt #: 92 total cpu time spent up to now is 278.9 secs Computing kpt #: 93 total cpu time spent up to now is 281.3 secs Computing kpt #: 94 total cpu time spent up to now is 283.6 secs Computing kpt #: 95 total cpu time spent up to now is 286.0 secs Computing kpt #: 96 total cpu time spent up to now is 288.2 secs Computing kpt #: 97 total cpu time spent up to now is 290.4 secs Computing kpt #: 98 total cpu time spent up to now is 292.8 secs Computing kpt #: 99 total cpu time spent up to now is 295.0 secs Computing kpt #: 100 total cpu time spent up to now is 297.2 secs Computing kpt #: 101 total cpu time spent up to now is 299.3 secs Computing kpt #: 102 total cpu time spent up to now is 301.5 secs Computing kpt #: 103 total cpu time spent up to now is 303.8 secs Computing kpt #: 104 total cpu time spent up to now is 305.9 secs Computing kpt #: 105 total cpu time spent up to now is 308.1 secs Computing kpt #: 106 total cpu time spent up to now is 310.2 secs Computing kpt #: 107 total cpu time spent up to now is 312.4 secs Computing kpt #: 108 total cpu time spent up to now is 314.5 secs Computing kpt #: 109 total cpu time spent up to now is 316.8 secs Computing kpt #: 110 total cpu time spent up to now is 318.9 secs Computing kpt #: 111 total cpu time spent up to now is 321.0 secs Computing kpt #: 112 total cpu time spent up to now is 323.2 secs Computing kpt #: 113 total cpu time spent up to now is 325.3 secs Computing kpt #: 114 total cpu time spent up to now is 327.5 secs Computing kpt #: 115 total cpu time spent up to now is 329.7 secs Computing kpt #: 116 total cpu time spent up to now is 331.8 secs Computing kpt #: 117 total cpu time spent up to now is 334.1 secs Computing kpt #: 118 total cpu time spent up to now is 336.6 secs Computing kpt #: 119 total cpu time spent up to now is 338.9 secs Computing kpt #: 120 total cpu time spent up to now is 341.1 secs Computing kpt #: 121 total cpu time spent up to now is 343.9 secs Computing kpt #: 122 total cpu time spent up to now is 347.6 secs Computing kpt #: 123 total cpu time spent up to now is 350.0 secs Computing kpt #: 124 total cpu time spent up to now is 352.4 secs Computing kpt #: 125 total cpu time spent up to now is 355.0 secs Computing kpt #: 126 total cpu time spent up to now is 357.3 secs Computing kpt #: 127 total cpu time spent up to now is 359.8 secs Computing kpt #: 128 total cpu time spent up to now is 362.2 secs Computing kpt #: 129 total cpu time spent up to now is 364.8 secs Computing kpt #: 130 total cpu time spent up to now is 367.4 secs Computing kpt #: 131 total cpu time spent up to now is 370.0 secs Computing kpt #: 132 total cpu time spent up to now is 372.6 secs Computing kpt #: 133 total cpu time spent up to now is 375.2 secs Computing kpt #: 134 total cpu time spent up to now is 377.8 secs Computing kpt #: 135 total cpu time spent up to now is 380.7 secs Computing kpt #: 136 total cpu time spent up to now is 383.5 secs Computing kpt #: 137 total cpu time spent up to now is 386.4 secs Computing kpt #: 138 total cpu time spent up to now is 389.1 secs Computing kpt #: 139 total cpu time spent up to now is 392.0 secs Computing kpt #: 140 total cpu time spent up to now is 394.8 secs Computing kpt #: 141 total cpu time spent up to now is 397.7 secs Computing kpt #: 142 total cpu time spent up to now is 400.5 secs Computing kpt #: 143 total cpu time spent up to now is 403.3 secs Computing kpt #: 144 total cpu time spent up to now is 406.1 secs Computing kpt #: 145 total cpu time spent up to now is 409.0 secs Computing kpt #: 146 total cpu time spent up to now is 412.0 secs Computing kpt #: 147 total cpu time spent up to now is 415.0 secs Computing kpt #: 148 total cpu time spent up to now is 417.9 secs Computing kpt #: 149 total cpu time spent up to now is 420.7 secs Computing kpt #: 150 total cpu time spent up to now is 423.7 secs Computing kpt #: 151 total cpu time spent up to now is 426.6 secs Computing kpt #: 152 total cpu time spent up to now is 429.6 secs Computing kpt #: 153 total cpu time spent up to now is 432.5 secs Computing kpt #: 154 total cpu time spent up to now is 435.4 secs Computing kpt #: 155 total cpu time spent up to now is 438.3 secs Computing kpt #: 156 total cpu time spent up to now is 441.2 secs Computing kpt #: 157 total cpu time spent up to now is 444.1 secs Computing kpt #: 158 total cpu time spent up to now is 447.0 secs Computing kpt #: 159 total cpu time spent up to now is 450.0 secs Computing kpt #: 160 total cpu time spent up to now is 452.8 secs Computing kpt #: 161 total cpu time spent up to now is 455.8 secs Computing kpt #: 162 total cpu time spent up to now is 458.7 secs Computing kpt #: 163 total cpu time spent up to now is 462.0 secs Computing kpt #: 164 total cpu time spent up to now is 464.9 secs Computing kpt #: 165 total cpu time spent up to now is 467.9 secs Computing kpt #: 166 total cpu time spent up to now is 470.8 secs Computing kpt #: 167 total cpu time spent up to now is 473.7 secs Computing kpt #: 168 total cpu time spent up to now is 476.6 secs Computing kpt #: 169 total cpu time spent up to now is 479.6 secs Computing kpt #: 170 total cpu time spent up to now is 482.5 secs Computing kpt #: 171 total cpu time spent up to now is 485.4 secs Computing kpt #: 172 total cpu time spent up to now is 488.9 secs Computing kpt #: 173 total cpu time spent up to now is 491.9 secs Computing kpt #: 174 total cpu time spent up to now is 494.6 secs Computing kpt #: 175 total cpu time spent up to now is 497.3 secs Computing kpt #: 176 total cpu time spent up to now is 500.0 secs Computing kpt #: 177 total cpu time spent up to now is 502.7 secs Computing kpt #: 178 total cpu time spent up to now is 505.3 secs Computing kpt #: 179 total cpu time spent up to now is 508.0 secs Computing kpt #: 180 total cpu time spent up to now is 510.7 secs Computing kpt #: 181 total cpu time spent up to now is 513.2 secs Computing kpt #: 182 total cpu time spent up to now is 515.8 secs Computing kpt #: 183 total cpu time spent up to now is 518.2 secs Computing kpt #: 184 total cpu time spent up to now is 520.7 secs Computing kpt #: 185 total cpu time spent up to now is 523.1 secs Computing kpt #: 186 total cpu time spent up to now is 525.4 secs Computing kpt #: 187 total cpu time spent up to now is 527.8 secs Computing kpt #: 188 total cpu time spent up to now is 530.1 secs Computing kpt #: 189 total cpu time spent up to now is 532.6 secs Computing kpt #: 190 total cpu time spent up to now is 535.3 secs Computing kpt #: 191 total cpu time spent up to now is 537.7 secs Computing kpt #: 192 total cpu time spent up to now is 540.1 secs Computing kpt #: 193 total cpu time spent up to now is 542.7 secs Computing kpt #: 194 total cpu time spent up to now is 545.3 secs Computing kpt #: 195 total cpu time spent up to now is 547.6 secs Computing kpt #: 196 total cpu time spent up to now is 549.9 secs Computing kpt #: 197 total cpu time spent up to now is 552.3 secs Computing kpt #: 198 total cpu time spent up to now is 554.6 secs Computing kpt #: 199 total cpu time spent up to now is 557.0 secs Computing kpt #: 200 total cpu time spent up to now is 559.2 secs Computing kpt #: 201 total cpu time spent up to now is 561.5 secs Computing kpt #: 202 total cpu time spent up to now is 563.7 secs Computing kpt #: 203 total cpu time spent up to now is 566.0 secs Computing kpt #: 204 total cpu time spent up to now is 568.2 secs Computing kpt #: 205 total cpu time spent up to now is 570.3 secs Computing kpt #: 206 total cpu time spent up to now is 572.7 secs Computing kpt #: 207 total cpu time spent up to now is 575.1 secs Computing kpt #: 208 total cpu time spent up to now is 577.5 secs Computing kpt #: 209 total cpu time spent up to now is 579.7 secs Computing kpt #: 210 total cpu time spent up to now is 581.8 secs Computing kpt #: 211 total cpu time spent up to now is 584.5 secs Computing kpt #: 212 total cpu time spent up to now is 586.8 secs Computing kpt #: 213 total cpu time spent up to now is 589.1 secs Computing kpt #: 214 total cpu time spent up to now is 591.4 secs Computing kpt #: 215 total cpu time spent up to now is 593.6 secs Computing kpt #: 216 total cpu time spent up to now is 596.0 secs Computing kpt #: 217 total cpu time spent up to now is 598.2 secs Computing kpt #: 218 total cpu time spent up to now is 600.4 secs Computing kpt #: 219 total cpu time spent up to now is 603.3 secs Computing kpt #: 220 total cpu time spent up to now is 605.6 secs Computing kpt #: 221 total cpu time spent up to now is 607.9 secs Computing kpt #: 222 total cpu time spent up to now is 610.3 secs Computing kpt #: 223 total cpu time spent up to now is 612.7 secs Computing kpt #: 224 total cpu time spent up to now is 615.0 secs Computing kpt #: 225 total cpu time spent up to now is 617.4 secs Computing kpt #: 226 total cpu time spent up to now is 619.7 secs Computing kpt #: 227 total cpu time spent up to now is 622.1 secs Computing kpt #: 228 total cpu time spent up to now is 624.7 secs Computing kpt #: 229 total cpu time spent up to now is 627.2 secs Computing kpt #: 230 total cpu time spent up to now is 629.7 secs Computing kpt #: 231 total cpu time spent up to now is 632.2 secs Computing kpt #: 232 total cpu time spent up to now is 634.9 secs Computing kpt #: 233 total cpu time spent up to now is 637.7 secs Computing kpt #: 234 total cpu time spent up to now is 640.2 secs Computing kpt #: 235 total cpu time spent up to now is 642.9 secs Computing kpt #: 236 total cpu time spent up to now is 645.6 secs Computing kpt #: 237 total cpu time spent up to now is 648.2 secs Computing kpt #: 238 total cpu time spent up to now is 650.9 secs Computing kpt #: 239 total cpu time spent up to now is 653.6 secs Computing kpt #: 240 total cpu time spent up to now is 656.3 secs Computing kpt #: 241 total cpu time spent up to now is 659.0 secs Computing kpt #: 242 total cpu time spent up to now is 661.7 secs Computing kpt #: 243 total cpu time spent up to now is 664.6 secs Computing kpt #: 244 total cpu time spent up to now is 667.3 secs Computing kpt #: 245 total cpu time spent up to now is 670.1 secs Computing kpt #: 246 total cpu time spent up to now is 672.8 secs Computing kpt #: 247 total cpu time spent up to now is 675.6 secs Computing kpt #: 248 total cpu time spent up to now is 678.4 secs Computing kpt #: 249 total cpu time spent up to now is 681.2 secs Computing kpt #: 250 total cpu time spent up to now is 684.0 secs Computing kpt #: 251 total cpu time spent up to now is 687.0 secs Computing kpt #: 252 total cpu time spent up to now is 689.7 secs Computing kpt #: 253 total cpu time spent up to now is 692.8 secs Computing kpt #: 254 total cpu time spent up to now is 695.6 secs Computing kpt #: 255 total cpu time spent up to now is 698.4 secs Computing kpt #: 256 total cpu time spent up to now is 701.3 secs Computing kpt #: 257 total cpu time spent up to now is 704.2 secs Computing kpt #: 258 total cpu time spent up to now is 707.1 secs Computing kpt #: 259 total cpu time spent up to now is 710.0 secs Computing kpt #: 260 total cpu time spent up to now is 712.8 secs Computing kpt #: 261 total cpu time spent up to now is 715.6 secs Computing kpt #: 262 total cpu time spent up to now is 718.5 secs Computing kpt #: 263 total cpu time spent up to now is 721.4 secs Computing kpt #: 264 total cpu time spent up to now is 724.1 secs Computing kpt #: 265 total cpu time spent up to now is 726.9 secs Computing kpt #: 266 total cpu time spent up to now is 729.7 secs Computing kpt #: 267 total cpu time spent up to now is 732.7 secs Computing kpt #: 268 total cpu time spent up to now is 735.5 secs Computing kpt #: 269 total cpu time spent up to now is 738.3 secs Computing kpt #: 270 total cpu time spent up to now is 741.0 secs Computing kpt #: 271 total cpu time spent up to now is 743.7 secs Computing kpt #: 272 total cpu time spent up to now is 746.4 secs Computing kpt #: 273 total cpu time spent up to now is 749.1 secs Computing kpt #: 274 total cpu time spent up to now is 751.8 secs Computing kpt #: 275 total cpu time spent up to now is 754.4 secs Computing kpt #: 276 total cpu time spent up to now is 757.0 secs Computing kpt #: 277 total cpu time spent up to now is 759.7 secs Computing kpt #: 278 total cpu time spent up to now is 762.4 secs Computing kpt #: 279 total cpu time spent up to now is 765.0 secs Computing kpt #: 280 total cpu time spent up to now is 767.6 secs Computing kpt #: 281 total cpu time spent up to now is 770.2 secs Computing kpt #: 282 total cpu time spent up to now is 773.0 secs Computing kpt #: 283 total cpu time spent up to now is 775.5 secs Computing kpt #: 284 total cpu time spent up to now is 778.0 secs Computing kpt #: 285 total cpu time spent up to now is 780.6 secs Computing kpt #: 286 total cpu time spent up to now is 783.1 secs Computing kpt #: 287 total cpu time spent up to now is 785.6 secs Computing kpt #: 288 total cpu time spent up to now is 789.3 secs Computing kpt #: 289 total cpu time spent up to now is 792.8 secs Computing kpt #: 290 total cpu time spent up to now is 795.4 secs Computing kpt #: 291 total cpu time spent up to now is 797.8 secs Computing kpt #: 292 total cpu time spent up to now is 800.3 secs Computing kpt #: 293 total cpu time spent up to now is 802.7 secs Computing kpt #: 294 total cpu time spent up to now is 804.9 secs Computing kpt #: 295 total cpu time spent up to now is 807.8 secs Computing kpt #: 296 total cpu time spent up to now is 810.1 secs Computing kpt #: 297 total cpu time spent up to now is 812.4 secs Computing kpt #: 298 total cpu time spent up to now is 814.8 secs Computing kpt #: 299 total cpu time spent up to now is 817.2 secs Computing kpt #: 300 total cpu time spent up to now is 819.5 secs Computing kpt #: 301 total cpu time spent up to now is 821.9 secs Computing kpt #: 302 total cpu time spent up to now is 824.4 secs Computing kpt #: 303 total cpu time spent up to now is 826.8 secs Computing kpt #: 304 total cpu time spent up to now is 829.2 secs Computing kpt #: 305 total cpu time spent up to now is 831.7 secs Computing kpt #: 306 total cpu time spent up to now is 834.2 secs Computing kpt #: 307 total cpu time spent up to now is 836.7 secs Computing kpt #: 308 total cpu time spent up to now is 839.2 secs Computing kpt #: 309 total cpu time spent up to now is 841.7 secs Computing kpt #: 310 total cpu time spent up to now is 844.3 secs Computing kpt #: 311 total cpu time spent up to now is 847.0 secs Computing kpt #: 312 total cpu time spent up to now is 849.5 secs Computing kpt #: 313 total cpu time spent up to now is 852.2 secs Computing kpt #: 314 total cpu time spent up to now is 854.9 secs Computing kpt #: 315 total cpu time spent up to now is 857.6 secs Computing kpt #: 316 total cpu time spent up to now is 860.4 secs Computing kpt #: 317 total cpu time spent up to now is 863.1 secs Computing kpt #: 318 total cpu time spent up to now is 865.9 secs Computing kpt #: 319 total cpu time spent up to now is 868.7 secs Computing kpt #: 320 total cpu time spent up to now is 871.4 secs Computing kpt #: 321 total cpu time spent up to now is 874.2 secs Computing kpt #: 322 total cpu time spent up to now is 877.0 secs Computing kpt #: 323 total cpu time spent up to now is 879.9 secs Computing kpt #: 324 total cpu time spent up to now is 882.7 secs Computing kpt #: 325 total cpu time spent up to now is 885.5 secs Computing kpt #: 326 total cpu time spent up to now is 888.3 secs Computing kpt #: 327 total cpu time spent up to now is 891.0 secs Computing kpt #: 328 total cpu time spent up to now is 893.8 secs Computing kpt #: 329 total cpu time spent up to now is 896.7 secs Computing kpt #: 330 total cpu time spent up to now is 899.5 secs Computing kpt #: 331 total cpu time spent up to now is 902.3 secs Computing kpt #: 332 total cpu time spent up to now is 905.8 secs Computing kpt #: 333 total cpu time spent up to now is 908.6 secs Computing kpt #: 334 total cpu time spent up to now is 911.4 secs Computing kpt #: 335 total cpu time spent up to now is 914.3 secs Computing kpt #: 336 total cpu time spent up to now is 917.2 secs Computing kpt #: 337 total cpu time spent up to now is 920.0 secs ethr = 2.00E-11, avg # of iterations = 35.7 total cpu time spent up to now is 920.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4063 PWs) bands (ev): -16.3829 -16.3829 -15.0078 -15.0078 -14.3874 -14.3874 -13.7973 -13.7973 -13.7142 -13.7142 -13.3298 -13.3298 -5.2622 -5.2622 -4.5338 -4.5338 -3.4772 -3.4772 -2.7774 -2.7774 -2.7249 -2.7249 -1.1861 -1.1861 -0.2733 -0.2733 0.0812 0.0812 0.3115 0.3115 1.1577 1.1577 1.4919 1.4919 1.9060 1.9060 2.2176 2.2176 2.3198 2.3198 2.4307 2.4307 2.8003 2.8003 2.9608 2.9608 3.1877 3.1877 3.3409 3.3409 8.2243 8.2243 9.9272 9.9272 10.4892 10.4892 10.9116 10.9116 12.2095 12.2095 k = 0.0109 0.0076-0.0037 ( 4063 PWs) bands (ev): -16.3824 -16.3822 -15.0081 -15.0075 -14.3876 -14.3869 -13.7981 -13.7980 -13.7145 -13.7136 -13.3308 -13.3297 -5.2622 -5.2616 -4.5365 -4.5362 -3.4764 -3.4757 -2.7820 -2.7694 -2.7281 -2.7183 -1.1923 -1.1809 -0.2763 -0.2735 0.0642 0.0957 0.3053 0.3192 1.1497 1.1660 1.4753 1.5088 1.8938 1.8992 2.2182 2.2310 2.3205 2.3246 2.4310 2.4319 2.7994 2.8002 2.9611 2.9618 3.1873 3.1876 3.3404 3.3406 8.2113 8.2367 9.9148 9.9383 10.4763 10.5000 10.8993 10.9293 12.2004 12.2198 k = 0.0217 0.0151-0.0073 ( 4063 PWs) bands (ev): -16.3807 -16.3804 -15.0082 -15.0071 -14.3875 -14.3861 -13.8006 -13.8003 -13.7145 -13.7129 -13.3328 -13.3307 -5.2616 -5.2605 -4.5443 -4.5438 -3.4733 -3.4719 -2.7831 -2.7587 -2.7270 -2.7082 -1.1992 -1.1765 -0.2830 -0.2769 0.0463 0.1066 0.3017 0.3277 1.1421 1.1741 1.4594 1.5252 1.8666 1.8754 2.2318 2.2519 2.3261 2.3362 2.4330 2.4353 2.7973 2.7989 2.9627 2.9640 3.1865 3.1871 3.3392 3.3397 8.1977 8.2486 9.9011 9.9481 10.4632 10.5070 10.8937 10.9509 12.1928 12.2314 k = 0.0326 0.0227-0.0110 ( 4066 PWs) bands (ev): -16.3778 -16.3774 -15.0083 -15.0065 -14.3871 -14.3850 -13.8045 -13.8041 -13.7143 -13.7119 -13.3357 -13.3326 -5.2606 -5.2588 -4.5569 -4.5560 -3.4680 -3.4659 -2.7812 -2.7485 -2.7189 -2.6946 -1.2069 -1.1730 -0.2936 -0.2831 0.0288 0.1129 0.3012 0.3360 1.1352 1.1813 1.4448 1.5406 1.8290 1.8419 2.2518 2.2722 2.3364 2.3543 2.4380 2.4433 2.7943 2.7966 2.9656 2.9675 3.1852 3.1861 3.3373 3.3380 8.1837 8.2597 9.8861 9.9566 10.4514 10.5087 10.8961 10.9755 12.1867 12.2440 k = 0.0435 0.0302-0.0146 ( 4068 PWs) bands (ev): -16.3738 -16.3732 -15.0083 -15.0060 -14.3865 -14.3836 -13.8098 -13.8093 -13.7140 -13.7109 -13.3396 -13.3355 -5.2593 -5.2568 -4.5736 -4.5725 -3.4605 -3.4577 -2.7769 -2.7415 -2.7013 -2.6770 -1.2153 -1.1704 -0.3084 -0.2921 0.0126 0.1145 0.3037 0.3435 1.1288 1.1868 1.4321 1.5540 1.7841 1.8065 2.2719 2.2888 2.3497 2.3724 2.4485 2.4616 2.7902 2.7934 2.9696 2.9722 3.1835 3.1847 3.3348 3.3358 8.1694 8.2701 9.8698 9.9640 10.4418 10.5045 10.9067 11.0021 12.1822 12.2574 k = 0.0543 0.0378-0.0183 ( 4067 PWs) bands (ev): -16.3686 -16.3678 -15.0081 -15.0053 -14.3856 -14.3820 -13.8165 -13.8160 -13.7136 -13.7098 -13.3444 -13.3393 -5.2581 -5.2548 -4.5939 -4.5924 -3.4510 -3.4476 -2.7706 -2.7359 -2.6765 -2.6554 -1.2242 -1.1686 -0.3276 -0.3039 -0.0015 0.1120 0.3084 0.3497 1.1228 1.1895 1.4215 1.5636 1.7355 1.7742 2.2894 2.3030 2.3619 2.3832 2.4676 2.4936 2.7854 2.7893 2.9746 2.9778 3.1814 3.1829 3.3318 3.3330 8.1547 8.2796 9.8522 9.9704 10.4353 10.4948 10.9250 11.0301 12.1792 12.2716 k = 0.0652 0.0453-0.0219 ( 4067 PWs) bands (ev): -16.3622 -16.3613 -15.0079 -15.0045 -14.3844 -14.3802 -13.8244 -13.8239 -13.7132 -13.7088 -13.3501 -13.3439 -5.2572 -5.2531 -4.6169 -4.6149 -3.4396 -3.4356 -2.7627 -2.7299 -2.6466 -2.6300 -1.2336 -1.1675 -0.3510 -0.3183 -0.0131 0.1065 0.3139 0.3542 1.1172 1.1884 1.4128 1.5672 1.6867 1.7490 2.3048 2.3163 2.3696 2.3873 2.4959 2.5351 2.7801 2.7848 2.9805 2.9843 3.1787 3.1806 3.3283 3.3298 8.1399 8.2883 9.8335 9.9760 10.4318 10.4812 10.9497 11.0592 12.1778 12.2862 k = 0.0761 0.0529-0.0256 ( 4073 PWs) bands (ev): -16.3547 -16.3536 -15.0076 -15.0037 -14.3831 -14.3782 -13.8335 -13.8331 -13.7128 -13.7077 -13.3566 -13.3495 -5.2572 -5.2521 -4.6415 -4.6390 -3.4264 -3.4218 -2.7536 -2.7229 -2.6129 -2.6008 -1.2434 -1.1670 -0.3782 -0.3354 -0.0223 0.0991 0.3192 0.3566 1.1114 1.1826 1.4048 1.5609 1.6427 1.7343 2.3190 2.3295 2.3731 2.3881 2.5302 2.5804 2.7748 2.7802 2.9872 2.9915 3.1756 3.1778 3.3246 3.3263 8.1248 8.2960 9.8139 9.9810 10.4301 10.4663 10.9794 11.0890 12.1780 12.3012 k = 0.0870 0.0604-0.0293 ( 4078 PWs) bands (ev): -16.3460 -16.3448 -15.0072 -15.0027 -14.3817 -14.3761 -13.8437 -13.8435 -13.7124 -13.7068 -13.3639 -13.3558 -5.2587 -5.2525 -4.6666 -4.6635 -3.4117 -3.4066 -2.7432 -2.7146 -2.5762 -2.5684 -1.2534 -1.1671 -0.4086 -0.3549 -0.0294 0.0905 0.3233 0.3569 1.1047 1.1721 1.3951 1.5391 1.6132 1.7305 2.3320 2.3428 2.3748 2.3881 2.5664 2.6252 2.7709 2.7767 2.9943 2.9992 3.1719 3.1745 3.3209 3.3229 8.1098 8.3027 9.7936 9.9857 10.4244 10.4569 11.0129 11.1193 12.1798 12.3162 k = 0.0978 0.0680-0.0329 ( 4078 PWs) bands (ev): -16.3362 -16.3348 -15.0066 -15.0017 -14.3801 -14.3740 -13.8551 -13.8549 -13.7121 -13.7059 -13.3718 -13.3629 -5.2625 -5.2550 -4.6909 -4.6871 -3.3956 -3.3900 -2.7316 -2.7049 -2.5369 -2.5332 -1.2635 -1.1676 -0.4416 -0.3767 -0.0349 0.0812 0.3257 0.3550 1.0957 1.1576 1.3818 1.5026 1.6033 1.7348 2.3420 2.3548 2.3780 2.3899 2.6005 2.6643 2.7713 2.7763 3.0016 3.0071 3.1678 3.1708 3.3175 3.3197 8.0947 8.3085 9.7730 9.9904 10.4090 10.4596 11.0490 11.1500 12.1830 12.3311 k = 0.1087 0.0755-0.0366 ( 4081 PWs) bands (ev): -16.3252 -16.3237 -15.0060 -15.0006 -14.3786 -14.3720 -13.8674 -13.8673 -13.7119 -13.7051 -13.3805 -13.3707 -5.2693 -5.2605 -4.7131 -4.7084 -3.3783 -3.3723 -2.7189 -2.6938 -2.4958 -2.4956 -1.2735 -1.1684 -0.4766 -0.4006 -0.0391 0.0715 0.3261 0.3509 1.0822 1.1407 1.3637 1.4626 1.6073 1.7441 2.3463 2.3614 2.3868 2.3970 2.6283 2.6893 2.7781 2.7874 3.0090 3.0152 3.1631 3.1665 3.3147 3.3173 8.0797 8.3132 9.7522 9.9954 10.3889 10.4698 11.0869 11.1810 12.1876 12.3458 k = 0.1196 0.0831-0.0402 ( 4079 PWs) bands (ev): -16.3131 -16.3115 -15.0053 -14.9995 -14.3772 -14.3700 -13.8808 -13.8806 -13.7117 -13.7044 -13.3897 -13.3791 -5.2801 -5.2699 -4.7319 -4.7263 -3.3601 -3.3537 -2.7049 -2.6813 -2.4562 -2.4531 -1.2835 -1.1693 -0.5128 -0.4264 -0.0428 0.0614 0.3245 0.3449 1.0616 1.1229 1.3418 1.4265 1.6203 1.7557 2.3454 2.3620 2.4011 2.4109 2.6458 2.6961 2.7911 2.8162 3.0161 3.0232 3.1578 3.1619 3.3131 3.3160 8.0648 8.3169 9.7318 10.0009 10.3676 10.4843 11.1261 11.2123 12.1935 12.3601 k = 0.1304 0.0906-0.0439 ( 4081 PWs) bands (ev): -16.2999 -16.2981 -15.0044 -14.9982 -14.3759 -14.3683 -13.8951 -13.8947 -13.7116 -13.7038 -13.3995 -13.3881 -5.2955 -5.2839 -4.7461 -4.7395 -3.3411 -3.3345 -2.6896 -2.6673 -2.4155 -2.4096 -1.2931 -1.1701 -0.5499 -0.4536 -0.0464 0.0507 0.3210 0.3372 1.0330 1.1039 1.3180 1.3973 1.6395 1.7682 2.3417 2.3598 2.4180 2.4288 2.6522 2.6923 2.8122 2.8530 3.0228 3.0310 3.1522 3.1569 3.3131 3.3166 8.0502 8.3195 9.7119 10.0070 10.3465 10.5017 11.1659 11.2439 12.2007 12.3738 k = 0.1413 0.0982-0.0475 ( 4088 PWs) bands (ev): -16.2856 -16.2837 -15.0035 -14.9969 -14.3749 -14.3669 -13.9101 -13.9096 -13.7117 -13.7033 -13.4097 -13.3976 -5.3160 -5.3031 -4.7548 -4.7473 -3.3217 -3.3148 -2.6731 -2.6518 -2.3738 -2.3654 -1.3023 -1.1708 -0.5873 -0.4820 -0.0504 0.0392 0.3162 0.3284 0.9978 1.0810 1.2961 1.3756 1.6624 1.7806 2.3367 2.3566 2.4366 2.4484 2.6503 2.6842 2.8383 2.8901 3.0287 3.0387 3.1464 3.1518 3.3154 3.3195 8.0359 8.3210 9.6929 10.0138 10.3263 10.5215 11.2061 11.2756 12.2089 12.3869 k = 0.1522 0.1057-0.0512 ( 4086 PWs) bands (ev): -16.2702 -16.2681 -15.0024 -14.9956 -14.3744 -14.3660 -13.9257 -13.9251 -13.7117 -13.7028 -13.4203 -13.4075 -5.3416 -5.3276 -4.7575 -4.7493 -3.3019 -3.2950 -2.6551 -2.6348 -2.3316 -2.3212 -1.3110 -1.1711 -0.6246 -0.5111 -0.0554 0.0266 0.3104 0.3189 0.9578 1.0518 1.2793 1.3600 1.6874 1.7920 2.3311 2.3531 2.4562 2.4680 2.6437 2.6748 2.8654 2.9237 3.0337 3.0463 3.1409 3.1471 3.3204 3.3256 8.0220 8.3215 9.6750 10.0213 10.3075 10.5431 11.2463 11.3076 12.2182 12.3994 k = 0.1630 0.1133-0.0549 ( 4084 PWs) bands (ev): -16.2536 -16.2515 -15.0013 -14.9941 -14.3744 -14.3657 -13.9419 -13.9410 -13.7119 -13.7024 -13.4312 -13.4177 -5.3721 -5.3571 -4.7542 -4.7455 -3.2822 -3.2753 -2.6358 -2.6163 -2.2892 -2.2772 -1.3191 -1.1710 -0.6615 -0.5407 -0.0618 0.0125 0.3040 0.3096 0.9146 1.0162 1.2690 1.3488 1.7130 1.8020 2.3254 2.3496 2.4765 2.4861 2.6349 2.6663 2.8906 2.9510 3.0373 3.0537 3.1368 3.1439 3.3286 3.3355 8.0086 8.3211 9.6584 10.0293 10.2905 10.5662 11.2864 11.3397 12.2283 12.4111 k = 0.1739 0.1208-0.0585 ( 4082 PWs) bands (ev): -16.2361 -16.2338 -15.0001 -14.9927 -14.3751 -14.3663 -13.9583 -13.9574 -13.7121 -13.7021 -13.4423 -13.4282 -5.4068 -5.3911 -4.7453 -4.7362 -3.2627 -3.2559 -2.6151 -2.5964 -2.2471 -2.2338 -1.3265 -1.1702 -0.6974 -0.5703 -0.0703 -0.0033 0.2971 0.3017 0.8692 0.9753 1.2644 1.3408 1.7378 1.8100 2.3199 2.3462 2.4963 2.5009 2.6257 2.6609 2.9120 2.9704 3.0389 3.0593 3.1354 3.1445 3.3403 3.3495 7.9958 8.3197 9.6432 10.0378 10.2757 10.5904 11.3262 11.3721 12.2392 12.4220 k = 0.1848 0.1284-0.0622 ( 4088 PWs) bands (ev): -16.2174 -16.2150 -14.9989 -14.9911 -14.3768 -14.3679 -13.9748 -13.9738 -13.7125 -13.7018 -13.4536 -13.4389 -5.4450 -5.4288 -4.7312 -4.7220 -3.2437 -3.2370 -2.5932 -2.5751 -2.2055 -2.1914 -1.3330 -1.1687 -0.7321 -0.5995 -0.0812 -0.0208 0.2900 0.2962 0.8224 0.9309 1.2640 1.3352 1.7608 1.8157 2.3148 2.3428 2.5075 2.5170 2.6178 2.6615 2.9284 2.9823 3.0378 3.0606 3.1372 3.1515 3.3555 3.3681 7.9835 8.3174 9.6296 10.0462 10.2636 10.6154 11.3655 11.4045 12.2507 12.4321 k = 0.1957 0.1359-0.0658 ( 4086 PWs) bands (ev): -16.1977 -16.1952 -14.9975 -14.9896 -14.3797 -14.3707 -13.9911 -13.9902 -13.7129 -13.7017 -13.4649 -13.4498 -5.4860 -5.4694 -4.7127 -4.7034 -3.2254 -3.2188 -2.5702 -2.5526 -2.1647 -2.1502 -1.3386 -1.1663 -0.7652 -0.6280 -0.0949 -0.0402 0.2839 0.2926 0.7750 0.8845 1.2663 1.3312 1.7809 1.8189 2.3102 2.3391 2.5080 2.5322 2.6142 2.6698 2.9397 2.9883 3.0336 3.0566 3.1427 3.1648 3.3742 3.3909 7.9719 8.3143 9.6177 10.0541 10.2548 10.6409 11.4042 11.4371 12.2626 12.4414 k = 0.2065 0.1435-0.0695 ( 4088 PWs) bands (ev): -16.1770 -16.1744 -14.9962 -14.9880 -14.3839 -14.3752 -14.0070 -14.0061 -13.7135 -13.7017 -13.4761 -13.4606 -5.5290 -5.5122 -4.6903 -4.6810 -3.2080 -3.2015 -2.5464 -2.5291 -2.1250 -2.1105 -1.3431 -1.1628 -0.7962 -0.6554 -0.1115 -0.0613 0.2796 0.2909 0.7273 0.8370 1.2704 1.3283 1.7968 1.8197 2.3062 2.3347 2.5015 2.5398 2.6191 2.6850 2.9464 2.9906 3.0264 3.0488 3.1517 3.1817 3.3959 3.4177 7.9611 8.3104 9.6074 10.0609 10.2498 10.6666 11.4423 11.4697 12.2749 12.4498 k = 0.2174 0.1510-0.0731 ( 4084 PWs) bands (ev): -16.1553 -16.1527 -14.9948 -14.9865 -14.3898 -14.3814 -14.0221 -14.0214 -13.7142 -13.7019 -13.4872 -13.4714 -5.5734 -5.5565 -4.6644 -4.6552 -3.1916 -3.1852 -2.5219 -2.5050 -2.0867 -2.0726 -1.3463 -1.1583 -0.8249 -0.6813 -0.1309 -0.0839 0.2777 0.2910 0.6796 0.7891 1.2753 1.3261 1.8058 1.8199 2.3025 2.3290 2.4905 2.5390 2.6336 2.7049 2.9495 2.9907 3.0171 3.0389 3.1633 3.1998 3.4203 3.4475 7.9510 8.3058 9.5990 10.0658 10.2491 10.6922 11.4797 11.5024 12.2875 12.4574 k = 0.2283 0.1586-0.0768 ( 4086 PWs) bands (ev): -16.1326 -16.1299 -14.9934 -14.9850 -14.3976 -14.3897 -14.0362 -14.0357 -13.7151 -13.7023 -13.4981 -13.4820 -5.6186 -5.6018 -4.6357 -4.6266 -3.1764 -3.1699 -2.4974 -2.4806 -2.0500 -2.0365 -1.3482 -1.1526 -0.8507 -0.7053 -0.1529 -0.1077 0.2781 0.2930 0.6323 0.7414 1.2804 1.3243 1.8043 1.8225 2.2984 2.3212 2.4776 2.5339 2.6540 2.7273 2.9500 2.9896 3.0064 3.0283 3.1766 3.2181 3.4467 3.4797 7.9418 8.3005 9.5923 10.0684 10.2532 10.7176 11.5164 11.5350 12.3001 12.4641 k = 0.2391 0.1661-0.0805 ( 4092 PWs) bands (ev): -16.1090 -16.1062 -14.9921 -14.9836 -14.4076 -14.4003 -14.0492 -14.0486 -13.7162 -13.7029 -13.5086 -13.4923 -5.6643 -5.6475 -4.6044 -4.5954 -3.1625 -3.1557 -2.4732 -2.4565 -2.0149 -2.0025 -1.3485 -1.1456 -0.8734 -0.7271 -0.1770 -0.1325 0.2808 0.2969 0.5855 0.6939 1.2854 1.3224 1.7959 1.8237 2.2928 2.3107 2.4646 2.5279 2.6768 2.7506 2.9492 2.9876 2.9953 3.0185 3.1910 3.2362 3.4747 3.5132 7.9335 8.2947 9.5873 10.0686 10.2620 10.7423 11.5522 11.5676 12.3127 12.4699 k = 0.2500 0.1737-0.0841 ( 4090 PWs) bands (ev): -16.0844 -16.0815 -14.9908 -14.9822 -14.4198 -14.4134 -14.0608 -14.0598 -13.7177 -13.7040 -13.5187 -13.5023 -5.7099 -5.6933 -4.5708 -4.5621 -3.1498 -3.1425 -2.4500 -2.4333 -1.9815 -1.9705 -1.3470 -1.1373 -0.8924 -0.7463 -0.2028 -0.1581 0.2856 0.3024 0.5395 0.6471 1.2898 1.3203 1.7836 1.8204 2.2845 2.2968 2.4535 2.5228 2.6999 2.7735 2.9481 2.9835 2.9855 3.0114 3.2059 3.2542 3.5036 3.5476 7.9261 8.2884 9.5841 10.0666 10.2750 10.7664 11.5873 11.6000 12.3252 12.4748 k = 0.2609 0.1812-0.0878 ( 4088 PWs) bands (ev): -16.0589 -16.0560 -14.9896 -14.9810 -14.4345 -14.4290 -14.0709 -14.0692 -13.7196 -13.7055 -13.5281 -13.5118 -5.7552 -5.7387 -4.5353 -4.5268 -3.1384 -3.1304 -2.4286 -2.4118 -1.9497 -1.9403 -1.3436 -1.1276 -0.9076 -0.7626 -0.2295 -0.1840 0.2922 0.3096 0.4946 0.6011 1.2933 1.3178 1.7682 1.8123 2.2723 2.2796 2.4453 2.5190 2.7218 2.7947 2.9477 2.9746 2.9795 3.0091 3.2212 3.2722 3.5331 3.5820 7.9197 8.2816 9.5826 10.0627 10.2917 10.7894 11.6216 11.6321 12.3373 12.4789 k = 0.2717 0.1888-0.0914 ( 4089 PWs) bands (ev): -16.0326 -16.0296 -14.9885 -14.9799 -14.4515 -14.4470 -14.0793 -14.0769 -13.7220 -13.7075 -13.5369 -13.5207 -5.7998 -5.7837 -4.4981 -4.4898 -3.1281 -3.1194 -2.4099 -2.3928 -1.9195 -1.9116 -1.3381 -1.1165 -0.9187 -0.7759 -0.2567 -0.2101 0.3000 0.3182 0.4510 0.5560 1.2957 1.3148 1.7498 1.7996 2.2553 2.2590 2.4405 2.5163 2.7415 2.8129 2.9489 2.9671 2.9729 3.0120 3.2368 3.2904 3.5627 3.6162 7.9143 8.2744 9.5827 10.0574 10.3112 10.8112 11.6551 11.6640 12.3491 12.4821 k = 0.2826 0.1963-0.0951 ( 4090 PWs) bands (ev): -16.0054 -16.0023 -14.9877 -14.9791 -14.4709 -14.4675 -14.0860 -14.0828 -13.7249 -13.7103 -13.5447 -13.5289 -5.8436 -5.8278 -4.4595 -4.4514 -3.1189 -3.1093 -2.3946 -2.3772 -1.8905 -1.8840 -1.3303 -1.1042 -0.9255 -0.7860 -0.2840 -0.2360 0.3079 0.3282 0.4099 0.5122 1.2968 1.3110 1.7289 1.7826 2.2338 2.2357 2.4384 2.5141 2.7583 2.8264 2.9508 2.9631 2.9685 3.0188 3.2530 3.3089 3.5921 3.6496 7.9099 8.2667 9.5843 10.0511 10.3332 10.8317 11.6877 11.6955 12.3602 12.4844 k = 0.2935 0.2039-0.0988 ( 4094 PWs) bands (ev): -15.9774 -15.9743 -14.9871 -14.9785 -14.4923 -14.4900 -14.0911 -14.0872 -13.7284 -13.7137 -13.5517 -13.5364 -5.8863 -5.8708 -4.4196 -4.4118 -3.1107 -3.1000 -2.3836 -2.3658 -1.8623 -1.8570 -1.3200 -1.0906 -0.9279 -0.7928 -0.3108 -0.2614 0.3115 0.3388 0.3753 0.4701 1.2962 1.3066 1.7057 1.7618 2.2084 2.2102 2.4381 2.5116 2.7719 2.8346 2.9500 2.9595 2.9751 3.0285 3.2698 3.3278 3.6210 3.6820 7.9066 8.2587 9.5874 10.0439 10.3569 10.8506 11.7195 11.7266 12.3707 12.4860 k = 0.3043 0.2114-0.1024 ( 4092 PWs) bands (ev): -15.9486 -15.9455 -14.9869 -14.9783 -14.5156 -14.5144 -14.0947 -14.0900 -13.7325 -13.7179 -13.5576 -13.5430 -5.9276 -5.9126 -4.3788 -4.3712 -3.1033 -3.0916 -2.3775 -2.3593 -1.8346 -1.8302 -1.3073 -1.0759 -0.9261 -0.7961 -0.3369 -0.2861 0.2979 0.3470 0.3614 0.4317 1.2938 1.3015 1.6805 1.7377 2.1804 2.1828 2.4382 2.5082 2.7827 2.8378 2.9484 2.9567 2.9905 3.0405 3.2873 3.3473 3.6491 3.7130 7.9043 8.2502 9.5919 10.0361 10.3821 10.8679 11.7504 11.7571 12.3804 12.4867 k = 0.3152 0.2190-0.1061 ( 4099 PWs) bands (ev): -15.9190 -15.9159 -14.9872 -14.9786 -14.5405 -14.5403 -14.0969 -14.0916 -13.7374 -13.7230 -13.5624 -13.5487 -5.9675 -5.9531 -4.3371 -4.3298 -3.0966 -3.0838 -2.3770 -2.3583 -1.8072 -1.8033 -1.2921 -1.0603 -0.9203 -0.7962 -0.3619 -0.3099 0.2658 0.3442 0.3706 0.4041 1.2893 1.2957 1.6536 1.7107 2.1507 2.1537 2.4379 2.5032 2.7913 2.8379 2.9479 2.9559 3.0100 3.0538 3.3059 3.3673 3.6763 3.7426 7.9031 8.2414 9.5977 10.0277 10.4084 10.8833 11.7805 11.7872 12.3892 12.4868 k = 0.3261 0.2265-0.1097 ( 4098 PWs) bands (ev): -15.8888 -15.8857 -14.9880 -14.9795 -14.5674 -14.5664 -14.0979 -14.0921 -13.7429 -13.7288 -13.5662 -13.5534 -6.0058 -5.9919 -4.2948 -4.2877 -3.0903 -3.0766 -2.3821 -2.3628 -1.7799 -1.7761 -1.2745 -1.0440 -0.9106 -0.7930 -0.3856 -0.3326 0.2286 0.3216 0.3853 0.4002 1.2827 1.2890 1.6255 1.6815 2.1199 2.1236 2.4363 2.4964 2.7985 2.8367 2.9488 2.9570 3.0313 3.0677 3.3257 3.3879 3.7025 3.7706 7.9030 8.2322 9.6048 10.0188 10.4355 10.8969 11.8097 11.8165 12.3969 12.4861 k = 0.3370 0.2341-0.1134 ( 4097 PWs) bands (ev): -15.8579 -15.8549 -14.9896 -14.9811 -14.5952 -14.5932 -14.0979 -14.0917 -13.7491 -13.7353 -13.5691 -13.5573 -6.0424 -6.0291 -4.2522 -4.2454 -3.0844 -3.0697 -2.3928 -2.3730 -1.7527 -1.7485 -1.2546 -1.0272 -0.8975 -0.7867 -0.4077 -0.3541 0.1908 0.2869 0.4022 0.4111 1.2741 1.2809 1.5967 1.6505 2.0886 2.0930 2.4330 2.4877 2.8050 2.8353 2.9513 2.9596 3.0526 3.0817 3.3467 3.4090 3.7274 3.7967 7.9040 8.2225 9.6129 10.0094 10.4632 10.9084 11.8381 11.8452 12.4035 12.4848 k = 0.3478 0.2416-0.1170 ( 4102 PWs) bands (ev): -15.8265 -15.8235 -14.9920 -14.9836 -14.6233 -14.6204 -14.0971 -14.0905 -13.7558 -13.7425 -13.5711 -13.5604 -6.0771 -6.0644 -4.2095 -4.2029 -3.0786 -3.0630 -2.4088 -2.3884 -1.7260 -1.7208 -1.2325 -1.0103 -0.8814 -0.7775 -0.4280 -0.3741 0.1532 0.2495 0.4205 0.4271 1.2639 1.2708 1.5677 1.6185 2.0572 2.0622 2.4279 2.4770 2.8112 2.8345 2.9552 2.9635 3.0730 3.0951 3.3691 3.4305 3.7510 3.8208 7.9061 8.2125 9.6221 9.9995 10.4912 10.9179 11.8654 11.8730 12.4088 12.4829 k = 0.3587 0.2492-0.1207 ( 4105 PWs) bands (ev): -15.7946 -15.7916 -14.9957 -14.9873 -14.6513 -14.6476 -14.0955 -14.0887 -13.7629 -13.7501 -13.5723 -13.5627 -6.1098 -6.0978 -4.1669 -4.1606 -3.0728 -3.0563 -2.4296 -2.4086 -1.7000 -1.6934 -1.2084 -0.9934 -0.8626 -0.7655 -0.4464 -0.3927 0.1163 0.2116 0.4400 0.4456 1.2518 1.2582 1.5391 1.5860 2.0262 2.0316 2.4209 2.4646 2.8173 2.8347 2.9603 2.9684 3.0917 3.1078 3.3927 3.4522 3.7732 3.8429 7.9093 8.2021 9.6321 9.9891 10.5195 10.9253 11.8919 11.9000 12.4129 12.4805 k = 0.3696 0.2567-0.1244 ( 4094 PWs) bands (ev): -15.7622 -15.7593 -15.0007 -14.9925 -14.6786 -14.6742 -14.0934 -14.0864 -13.7703 -13.7581 -13.5728 -13.5643 -6.1404 -6.1292 -4.1248 -4.1188 -3.0667 -3.0494 -2.4546 -2.4330 -1.6749 -1.6667 -1.1826 -0.9769 -0.8416 -0.7510 -0.4628 -0.4098 0.0803 0.1741 0.4605 0.4658 1.2377 1.2428 1.5118 1.5540 1.9959 2.0017 2.4123 2.4510 2.8234 2.8360 2.9664 2.9742 3.1085 3.1194 3.4172 3.4738 3.7940 3.8629 7.9136 8.1912 9.6431 9.9782 10.5477 10.9306 11.9173 11.9261 12.4158 12.4776 k = 0.3804 0.2643-0.1280 ( 4088 PWs) bands (ev): -15.7295 -15.7267 -15.0075 -14.9995 -14.7048 -14.6997 -14.0908 -14.0837 -13.7780 -13.7663 -13.5729 -13.5653 -6.1688 -6.1584 -4.0835 -4.0778 -3.0602 -3.0421 -2.4831 -2.4610 -1.6512 -1.6412 -1.1555 -0.9610 -0.8188 -0.7342 -0.4770 -0.4254 0.0452 0.1370 0.4819 0.4874 1.2211 1.2244 1.4863 1.5231 1.9666 1.9726 2.4025 2.4365 2.8294 2.8383 2.9732 2.9805 3.1231 3.1300 3.4424 3.4952 3.8132 3.8807 7.9189 8.1799 9.6547 9.9667 10.5759 10.9337 11.9416 11.9511 12.4175 12.4741 k = 0.3913 0.2718-0.1317 ( 4088 PWs) bands (ev): -15.6966 -15.6939 -15.0164 -15.0086 -14.7292 -14.7237 -14.0878 -14.0807 -13.7856 -13.7746 -13.5725 -13.5659 -6.1950 -6.1854 -4.0433 -4.0379 -3.0530 -3.0342 -2.5144 -2.4919 -1.6292 -1.6174 -1.1273 -0.9460 -0.7947 -0.7154 -0.4891 -0.4394 0.0111 0.1005 0.5042 0.5102 1.2013 1.2034 1.4633 1.4942 1.9386 1.9447 2.3919 2.4216 2.8352 2.8415 2.9805 2.9872 3.1356 3.1394 3.4676 3.5161 3.8310 3.8962 7.9253 8.1681 9.6671 9.9548 10.6037 10.9348 11.9648 11.9749 12.4181 12.4702 k = 0.4022 0.2794-0.1353 ( 4084 PWs) bands (ev): -15.6636 -15.6611 -15.0276 -15.0202 -14.7513 -14.7456 -14.0845 -14.0776 -13.7931 -13.7827 -13.5719 -13.5662 -6.2188 -6.2101 -4.0047 -3.9996 -3.0450 -3.0255 -2.5479 -2.5251 -1.6089 -1.5956 -1.0986 -0.9321 -0.7696 -0.6950 -0.4990 -0.4519 -0.0219 0.0648 0.5273 0.5340 1.1769 1.1808 1.4432 1.4681 1.9123 1.9183 2.3808 2.4067 2.8406 2.8454 2.9880 2.9941 3.1462 3.1476 3.4926 3.5361 3.8473 3.9094 7.9327 8.1559 9.6800 9.9423 10.6312 10.9338 11.9867 11.9974 12.4177 12.4658 k = 0.4130 0.2869-0.1390 ( 4086 PWs) bands (ev): -15.6307 -15.6284 -15.0414 -15.0345 -14.7706 -14.7650 -14.0811 -14.0745 -13.8002 -13.7907 -13.5711 -13.5662 -6.2403 -6.2325 -3.9681 -3.9633 -3.0358 -3.0158 -2.5830 -2.5599 -1.5905 -1.5762 -1.0700 -0.9196 -0.7441 -0.6734 -0.5067 -0.4629 -0.0535 0.0298 0.5511 0.5586 1.1492 1.1558 1.4261 1.4454 1.8879 1.8937 2.3698 2.3922 2.8456 2.8497 2.9954 3.0009 3.1546 3.1551 3.5167 3.5549 3.8621 3.9204 7.9411 8.1434 9.6935 9.9293 10.6581 10.9307 12.0073 12.0183 12.4167 12.4609 k = 0.4239 0.2945-0.1426 ( 4086 PWs) bands (ev): -15.5983 -15.5962 -15.0575 -15.0513 -14.7869 -14.7816 -14.0777 -14.0714 -13.8070 -13.7982 -13.5701 -13.5660 -6.2593 -6.2524 -3.9340 -3.9295 -3.0253 -3.0047 -2.6190 -2.5957 -1.5741 -1.5594 -1.0419 -0.9088 -0.7184 -0.6513 -0.5122 -0.4725 -0.0834 -0.0043 0.5757 0.5837 1.1193 1.1283 1.4119 1.4262 1.8657 1.8711 2.3593 2.3784 2.8502 2.8541 3.0026 3.0074 3.1608 3.1622 3.5394 3.5724 3.8756 3.9291 7.9503 8.1305 9.7074 9.9159 10.6843 10.9257 12.0263 12.0376 12.4152 12.4555 k = 0.4348 0.3020-0.1463 ( 4084 PWs) bands (ev): -15.5666 -15.5647 -15.0759 -15.0705 -14.8002 -14.7953 -14.0743 -14.0686 -13.8131 -13.8053 -13.5691 -13.5657 -6.2758 -6.2698 -3.9028 -3.8988 -3.0132 -2.9922 -2.6551 -2.6319 -1.5597 -1.5452 -1.0150 -0.9000 -0.6931 -0.6296 -0.5155 -0.4805 -0.1113 -0.0373 0.6006 0.6092 1.0881 1.0989 1.4004 1.4106 1.8459 1.8509 2.3496 2.3656 2.8544 2.8581 3.0093 3.0135 3.1659 3.1679 3.5604 3.5880 3.8877 3.9357 7.9604 8.1172 9.7218 9.9020 10.7097 10.9188 12.0438 12.0548 12.4136 12.4498 k = 0.4457 0.3096-0.1500 ( 4084 PWs) bands (ev): -15.5362 -15.5345 -15.0956 -15.0911 -14.8105 -14.8063 -14.0710 -14.0660 -13.8185 -13.8117 -13.5682 -13.5654 -6.2898 -6.2848 -3.8752 -3.8717 -2.9994 -2.9782 -2.6907 -2.6677 -1.5472 -1.5337 -0.9898 -0.8935 -0.6686 -0.6097 -0.5163 -0.4870 -0.1364 -0.0690 0.6257 0.6346 1.0567 1.0685 1.3913 1.3982 1.8287 1.8331 2.3410 2.3541 2.8582 2.8617 3.0155 3.0190 3.1702 3.1723 3.5791 3.6017 3.8986 3.9401 7.9713 8.1037 9.7364 9.8878 10.7343 10.9099 12.0594 12.0698 12.4122 12.4439 k = 0.4565 0.3171-0.1536 ( 4085 PWs) bands (ev): -15.5078 -15.5064 -15.1158 -15.1122 -14.8183 -14.8149 -14.0681 -14.0638 -13.8229 -13.8173 -13.5673 -13.5651 -6.3012 -6.2971 -3.8515 -3.8486 -2.9838 -2.9629 -2.7249 -2.7026 -1.5367 -1.5249 -0.9668 -0.8896 -0.6455 -0.5933 -0.5146 -0.4919 -0.1579 -0.0989 0.6503 0.6592 1.0266 1.0383 1.3842 1.3888 1.8144 1.8181 2.3338 2.3442 2.8616 2.8646 3.0208 3.0236 3.1736 3.1757 3.5954 3.6130 3.9082 3.9426 7.9829 8.0899 9.7514 9.8732 10.7578 10.8993 12.0729 12.0823 12.4113 12.4378 k = 0.4674 0.3247-0.1573 ( 4095 PWs) bands (ev): -15.4825 -15.4815 -15.1349 -15.1323 -14.8238 -14.8212 -14.0655 -14.0622 -13.8264 -13.8221 -13.5665 -13.5649 -6.3100 -6.3069 -3.8325 -3.8302 -2.9667 -2.9469 -2.7564 -2.7355 -1.5281 -1.5186 -0.9464 -0.8884 -0.6247 -0.5822 -0.5105 -0.4950 -0.1744 -0.1262 0.6736 0.6817 0.9992 1.0099 1.3790 1.3818 1.8032 1.8061 2.3283 2.3360 2.8644 2.8668 3.0252 3.0273 3.1763 3.1780 3.6087 3.6216 3.9167 3.9433 7.9951 8.0761 9.7665 9.8583 10.7803 10.8869 12.0843 12.0919 12.4111 12.4318 k = 0.4783 0.3322-0.1609 ( 4095 PWs) bands (ev): -15.4620 -15.4613 -15.1511 -15.1493 -14.8274 -14.8257 -14.0634 -14.0611 -13.8287 -13.8257 -13.5659 -13.5648 -6.3161 -6.3141 -3.8184 -3.8168 -2.9489 -2.9318 -2.7829 -2.7650 -1.5214 -1.5148 -0.9288 -0.8902 -0.6068 -0.5770 -0.5053 -0.4966 -0.1846 -0.1500 0.6939 0.7004 0.9769 0.9854 1.3754 1.3770 1.7952 1.7972 2.3246 2.3297 2.8666 2.8683 3.0285 3.0300 3.1783 3.1795 3.6190 3.6275 3.9242 3.9422 8.0079 8.0622 9.7818 9.8432 10.8015 10.8729 12.0930 12.0985 12.4120 12.4262 k = 0.4891 0.3398-0.1646 ( 4090 PWs) bands (ev): -15.4483 -15.4479 -15.1621 -15.1612 -14.8293 -14.8284 -14.0618 -14.0607 -13.8298 -13.8283 -13.5653 -13.5648 -6.3196 -6.3185 -3.8096 -3.8088 -2.9324 -2.9215 -2.8002 -2.7889 -1.5167 -1.5133 -0.9144 -0.8950 -0.5927 -0.5775 -0.5008 -0.4972 -0.1873 -0.1691 0.7088 0.7126 0.9627 0.9675 1.3735 1.3742 1.7906 1.7916 2.3228 2.3254 2.8682 2.8690 3.0307 3.0314 3.1796 3.1803 3.6260 3.6302 3.9306 3.9397 8.0210 8.0483 9.7971 9.8279 10.8215 10.8573 12.0991 12.1019 12.4140 12.4212 k = 0.5000 0.3473-0.1682 ( 4090 PWs) bands (ev): -15.4433 -15.4433 -15.1658 -15.1658 -14.8296 -14.8296 -14.0609 -14.0609 -13.8297 -13.8297 -13.5650 -13.5650 -6.3204 -6.3204 -3.8064 -3.8064 -2.9215 -2.9215 -2.8024 -2.8024 -1.5139 -1.5139 -0.9031 -0.9031 -0.5828 -0.5828 -0.4982 -0.4982 -0.1819 -0.1819 0.7157 0.7157 0.9593 0.9593 1.3730 1.3730 1.7894 1.7894 2.3231 2.3231 2.8690 2.8690 3.0317 3.0317 3.1803 3.1803 3.6298 3.6298 3.9357 3.9357 8.0346 8.0346 9.8125 9.8125 10.8401 10.8401 12.1021 12.1021 12.4171 12.4171 k = 0.5000 0.3473-0.1682 ( 4090 PWs) bands (ev): -15.4433 -15.4433 -15.1658 -15.1658 -14.8296 -14.8296 -14.0609 -14.0609 -13.8297 -13.8297 -13.5650 -13.5650 -6.3204 -6.3204 -3.8064 -3.8064 -2.9215 -2.9215 -2.8024 -2.8024 -1.5139 -1.5139 -0.9031 -0.9031 -0.5828 -0.5828 -0.4982 -0.4982 -0.1819 -0.1819 0.7157 0.7157 0.9593 0.9593 1.3730 1.3730 1.7894 1.7894 2.3231 2.3231 2.8690 2.8690 3.0317 3.0317 3.1803 3.1803 3.6298 3.6298 3.9357 3.9357 8.0346 8.0346 9.8125 9.8125 10.8401 10.8401 12.1021 12.1021 12.4171 12.4171 k = 0.5029 0.3493-0.1555 ( 4088 PWs) bands (ev): -15.4435 -15.4435 -15.1656 -15.1654 -14.8299 -14.8295 -14.0617 -14.0607 -13.8298 -13.8288 -13.5653 -13.5649 -6.3197 -6.3190 -3.8091 -3.8077 -2.9239 -2.9206 -2.8041 -2.8005 -1.5126 -1.5116 -0.9066 -0.9010 -0.5894 -0.5771 -0.5057 -0.4884 -0.1847 -0.1770 0.7149 0.7158 0.9577 0.9590 1.3723 1.3731 1.7889 1.7924 2.3167 2.3265 2.8682 2.8706 3.0298 3.0358 3.1791 3.1805 3.6289 3.6295 3.9335 3.9377 8.0314 8.0380 9.8081 9.8172 10.8349 10.8443 12.1018 12.1025 12.4103 12.4234 k = 0.5058 0.3513-0.1427 ( 4094 PWs) bands (ev): -15.4440 -15.4440 -15.1650 -15.1647 -14.8303 -14.8295 -14.0630 -14.0610 -13.8292 -13.8273 -13.5657 -13.5650 -6.3168 -6.3154 -3.8158 -3.8131 -2.9280 -2.9214 -2.8055 -2.7984 -1.5077 -1.5057 -0.9115 -0.9004 -0.5960 -0.5729 -0.5099 -0.4770 -0.1852 -0.1701 0.7135 0.7153 0.9544 0.9568 1.3709 1.3725 1.7908 1.7979 2.3078 2.3269 2.8681 2.8730 3.0303 3.0420 3.1770 3.1797 3.6270 3.6282 3.9311 3.9395 8.0286 8.0418 9.8037 9.8218 10.8286 10.8473 12.1018 12.1031 12.4033 12.4292 k = 0.5087 0.3533-0.1300 ( 4095 PWs) bands (ev): -15.4449 -15.4449 -15.1639 -15.1634 -14.8309 -14.8297 -14.0648 -14.0619 -13.8279 -13.8251 -13.5664 -13.5654 -6.3119 -6.3098 -3.8264 -3.8225 -2.9334 -2.9238 -2.8064 -2.7961 -1.4995 -1.4966 -0.9177 -0.9013 -0.6022 -0.5708 -0.5100 -0.4648 -0.1836 -0.1612 0.7112 0.7141 0.9496 0.9530 1.3689 1.3713 1.7948 1.8057 2.2970 2.3242 2.8688 2.8764 3.0330 3.0502 3.1740 3.1780 3.6240 3.6258 3.9285 3.9411 8.0261 8.0459 9.7996 9.8266 10.8214 10.8492 12.1019 12.1038 12.3959 12.4343 k = 0.5116 0.3553-0.1172 ( 4092 PWs) bands (ev): -15.4461 -15.4461 -15.1623 -15.1617 -14.8315 -14.8300 -14.0670 -14.0633 -13.8260 -13.8224 -13.5672 -13.5658 -6.3049 -6.3021 -3.8408 -3.8358 -2.9402 -2.9280 -2.8063 -2.7934 -1.4885 -1.4848 -0.9255 -0.9040 -0.6073 -0.5700 -0.5063 -0.4521 -0.1797 -0.1506 0.7077 0.7119 0.9438 0.9480 1.3662 1.3694 1.8007 1.8156 2.2848 2.3189 2.8701 2.8805 3.0376 3.0598 3.1703 3.1754 3.6199 3.6223 3.9256 3.9425 8.0239 8.0502 9.7956 9.8313 10.8134 10.8500 12.1022 12.1048 12.3884 12.4384 k = 0.5145 0.3574-0.1045 ( 4098 PWs) bands (ev): -15.4478 -15.4477 -15.1603 -15.1595 -14.8323 -14.8304 -14.0696 -14.0651 -13.8235 -13.8192 -13.5682 -13.5665 -6.2958 -6.2924 -3.8588 -3.8530 -2.9482 -2.9337 -2.8052 -2.7902 -1.4753 -1.4710 -0.9347 -0.9086 -0.6107 -0.5694 -0.4996 -0.4391 -0.1736 -0.1383 0.7028 0.7084 0.9376 0.9421 1.3629 1.3668 1.8080 1.8271 2.2721 2.3113 2.8720 2.8854 3.0439 3.0705 3.1659 3.1720 3.6148 3.6177 3.9226 3.9437 8.0221 8.0548 9.7920 9.8361 10.8045 10.8497 12.1028 12.1061 12.3806 12.4414 k = 0.5174 0.3594-0.0917 ( 4093 PWs) bands (ev): -15.4498 -15.4497 -15.1578 -15.1569 -14.8330 -14.8308 -14.0723 -14.0673 -13.8206 -13.8157 -13.5694 -13.5673 -6.2848 -6.2808 -3.8802 -3.8738 -2.9570 -2.9408 -2.8029 -2.7862 -1.4606 -1.4559 -0.9455 -0.9152 -0.6119 -0.5677 -0.4908 -0.4261 -0.1654 -0.1245 0.6960 0.7034 0.9315 0.9361 1.3587 1.3635 1.8159 1.8397 2.2598 2.3021 2.8743 2.8910 3.0513 3.0818 3.1612 3.1680 3.6086 3.6119 3.9193 3.9448 8.0206 8.0596 9.7886 9.8408 10.7950 10.8484 12.1037 12.1077 12.3726 12.4431 k = 0.5203 0.3614-0.0790 ( 4095 PWs) bands (ev): -15.4523 -15.4522 -15.1549 -15.1538 -14.8338 -14.8313 -14.0752 -14.0698 -13.8172 -13.8119 -13.5707 -13.5683 -6.2720 -6.2674 -3.9048 -3.8980 -2.9664 -2.9490 -2.7993 -2.7815 -1.4452 -1.4403 -0.9577 -0.9240 -0.6106 -0.5640 -0.4807 -0.4132 -0.1552 -0.1094 0.6871 0.6964 0.9261 0.9305 1.3538 1.3595 1.8239 1.8527 2.2489 2.2923 2.8770 2.8971 3.0594 3.0934 3.1563 3.1635 3.6012 3.6051 3.9159 3.9457 8.0194 8.0646 9.7855 9.8454 10.7849 10.8461 12.1048 12.1095 12.3643 12.4433 k = 0.5232 0.3634-0.0662 ( 4102 PWs) bands (ev): -15.4552 -15.4550 -15.1515 -15.1503 -14.8345 -14.8317 -14.0781 -14.0725 -13.8137 -13.8081 -13.5722 -13.5695 -6.2574 -6.2522 -3.9321 -3.9252 -2.9762 -2.9579 -2.7945 -2.7759 -1.4299 -1.4249 -0.9713 -0.9349 -0.6065 -0.5578 -0.4694 -0.4005 -0.1431 -0.0930 0.6759 0.6872 0.9221 0.9260 1.3480 1.3546 1.8312 1.8655 2.2404 2.2828 2.8800 2.9036 3.0675 3.1049 3.1514 3.1587 3.5928 3.5971 3.9124 3.9466 8.0183 8.0697 9.7827 9.8500 10.7743 10.8430 12.1063 12.1117 12.3557 12.4418 k = 0.5260 0.3654-0.0535 ( 4102 PWs) bands (ev): -15.4587 -15.4584 -15.1477 -15.1464 -14.8351 -14.8320 -14.0811 -14.0752 -13.8099 -13.8042 -13.5739 -13.5708 -6.2411 -6.2354 -3.9620 -3.9552 -2.9860 -2.9672 -2.7885 -2.7695 -1.4153 -1.4104 -0.9863 -0.9478 -0.5995 -0.5490 -0.4572 -0.3881 -0.1292 -0.0755 0.6623 0.6756 0.9197 0.9231 1.3410 1.3488 1.8371 1.8773 2.2353 2.2750 2.8833 2.9103 3.0750 3.1157 3.1467 3.1543 3.5833 3.5880 3.9088 3.9474 8.0175 8.0750 9.7803 9.8546 10.7634 10.8391 12.1080 12.1143 12.3468 12.4385 k = 0.5289 0.3674-0.0407 ( 4098 PWs) bands (ev): -15.4626 -15.4622 -15.1435 -15.1421 -14.8355 -14.8322 -14.0839 -14.0779 -13.8061 -13.8004 -13.5756 -13.5722 -6.2234 -6.2172 -3.9939 -3.9874 -2.9956 -2.9767 -2.7814 -2.7623 -1.4020 -1.3973 -1.0024 -0.9625 -0.5898 -0.5376 -0.4440 -0.3762 -0.1137 -0.0571 0.6464 0.6616 0.9194 0.9221 1.3327 1.3420 1.8411 1.8870 2.2346 2.2699 2.8866 2.9169 3.0810 3.1253 3.1424 3.1509 3.5728 3.5779 3.9052 3.9482 8.0167 8.0805 9.7781 9.8590 10.7521 10.8345 12.1101 12.1172 12.3377 12.4333 k = 0.5318 0.3694-0.0280 ( 4102 PWs) bands (ev): -15.4671 -15.4665 -15.1390 -15.1374 -14.8357 -14.8322 -14.0865 -14.0806 -13.8024 -13.7967 -13.5775 -13.5736 -6.2043 -6.1977 -4.0274 -4.0215 -3.0049 -2.9861 -2.7733 -2.7544 -1.3906 -1.3861 -1.0194 -0.9786 -0.5778 -0.5239 -0.4298 -0.3647 -0.0969 -0.0378 0.6287 0.6454 0.9211 0.9233 1.3228 1.3337 1.8428 1.8941 2.2387 2.2688 2.8899 2.9233 3.0851 3.1314 3.1402 3.1492 3.5613 3.5667 3.9016 3.9489 8.0160 8.0860 9.7763 9.8634 10.7407 10.8294 12.1123 12.1204 12.3283 12.4261 k = 0.5347 0.3714-0.0152 ( 4097 PWs) bands (ev): -15.4722 -15.4714 -15.1340 -15.1323 -14.8356 -14.8319 -14.0889 -14.0831 -13.7988 -13.7934 -13.5794 -13.5752 -6.1841 -6.1771 -4.0621 -4.0569 -3.0137 -2.9953 -2.7643 -2.7458 -1.3814 -1.3770 -1.0372 -0.9959 -0.5642 -0.5081 -0.4144 -0.3539 -0.0788 -0.0178 0.6096 0.6274 0.9249 0.9268 1.3111 1.3240 1.8425 1.8981 2.2480 2.2726 2.8931 2.9292 3.0871 3.1293 3.1445 3.1496 3.5488 3.5545 3.8982 3.9498 8.0152 8.0917 9.7747 9.8678 10.7293 10.8238 12.1145 12.1238 12.3190 12.4170 k = 0.5376 0.3734-0.0025 ( 4101 PWs) bands (ev): -15.4778 -15.4768 -15.1286 -15.1269 -14.8352 -14.8313 -14.0909 -14.0854 -13.7955 -13.7903 -13.5814 -13.5769 -6.1629 -6.1557 -4.0975 -4.0932 -3.0220 -3.0040 -2.7546 -2.7365 -1.3747 -1.3701 -1.0554 -1.0139 -0.5496 -0.4906 -0.3977 -0.3439 -0.0598 0.0027 0.5896 0.6081 0.9308 0.9326 1.2972 1.3124 1.8407 1.8989 2.2621 2.2816 2.8962 2.9346 3.0873 3.1244 3.1497 3.1513 3.5354 3.5413 3.8950 3.9507 8.0143 8.0975 9.7733 9.8721 10.7178 10.8180 12.1167 12.1274 12.3097 12.4061 k = 0.5405 0.3755 0.0103 ( 4107 PWs) bands (ev): -15.4840 -15.4827 -15.1230 -15.1211 -14.8344 -14.8304 -14.0927 -14.0875 -13.7925 -13.7877 -13.5835 -13.5786 -6.1411 -6.1336 -4.1331 -4.1298 -3.0296 -3.0124 -2.7442 -2.7266 -1.3708 -1.3655 -1.0738 -1.0325 -0.5351 -0.4720 -0.3796 -0.3348 -0.0404 0.0234 0.5695 0.5880 0.9387 0.9407 1.2810 1.2986 1.8380 1.8970 2.2807 2.2959 2.8989 2.9393 3.0863 3.1192 3.1526 3.1541 3.5212 3.5274 3.8920 3.9518 8.0132 8.1034 9.7721 9.8763 10.7064 10.8120 12.1183 12.1312 12.3009 12.3935 k = 0.5405 0.3755 0.0103 ( 4107 PWs) bands (ev): -15.4840 -15.4827 -15.1230 -15.1211 -14.8344 -14.8304 -14.0927 -14.0875 -13.7925 -13.7877 -13.5835 -13.5786 -6.1411 -6.1336 -4.1331 -4.1298 -3.0296 -3.0124 -2.7442 -2.7266 -1.3708 -1.3655 -1.0738 -1.0325 -0.5351 -0.4720 -0.3796 -0.3348 -0.0404 0.0234 0.5695 0.5880 0.9387 0.9407 1.2810 1.2986 1.8380 1.8970 2.2807 2.2959 2.8989 2.9393 3.0863 3.1192 3.1526 3.1541 3.5212 3.5274 3.8920 3.9518 8.0132 8.1034 9.7721 9.8763 10.7064 10.8120 12.1183 12.1312 12.3009 12.3935 k = 0.5374 0.3733 0.0232 ( 4113 PWs) bands (ev): -15.4827 -15.4813 -15.1180 -15.1153 -14.8388 -14.8341 -14.0921 -14.0872 -13.7929 -13.7884 -13.5881 -13.5833 -6.1234 -6.1161 -4.1607 -4.1577 -3.0423 -3.0261 -2.7261 -2.7092 -1.3619 -1.3561 -1.0868 -1.0501 -0.5216 -0.4588 -0.3717 -0.3170 -0.0352 0.0260 0.5591 0.5776 0.9265 0.9288 1.2651 1.2837 1.8400 1.8978 2.3102 2.3216 2.9090 2.9475 3.0851 3.1154 3.1521 3.1534 3.5044 3.5110 3.8987 3.9564 8.0154 8.0993 9.7778 9.8745 10.7070 10.8020 12.1137 12.1285 12.2981 12.3834 k = 0.5343 0.3711 0.0361 ( 4111 PWs) bands (ev): -15.4821 -15.4807 -15.1122 -15.1089 -14.8429 -14.8377 -14.0915 -14.0868 -13.7932 -13.7891 -13.5929 -13.5881 -6.1053 -6.0983 -4.1886 -4.1859 -3.0532 -3.0382 -2.7086 -2.6925 -1.3535 -1.3473 -1.0999 -1.0675 -0.5094 -0.4459 -0.3637 -0.3010 -0.0289 0.0291 0.5475 0.5658 0.9169 0.9196 1.2479 1.2674 1.8409 1.8962 2.3443 2.3530 2.9192 2.9554 3.0837 3.1114 3.1493 3.1508 3.4868 3.4937 3.9058 3.9609 8.0175 8.0950 9.7834 9.8726 10.7076 10.7924 12.1085 12.1250 12.2958 12.3733 k = 0.5312 0.3690 0.0491 ( 4113 PWs) bands (ev): -15.4822 -15.4808 -15.1058 -15.1020 -14.8467 -14.8412 -14.0908 -14.0864 -13.7935 -13.7898 -13.5977 -13.5931 -6.0871 -6.0804 -4.2165 -4.2140 -3.0626 -3.0488 -2.6919 -2.6767 -1.3455 -1.3390 -1.1128 -1.0846 -0.4982 -0.4341 -0.3554 -0.2870 -0.0214 0.0328 0.5350 0.5529 0.9101 0.9133 1.2296 1.2497 1.8413 1.8929 2.3820 2.3890 2.9294 2.9628 3.0822 3.1074 3.1436 3.1465 3.4687 3.4758 3.9132 3.9651 8.0195 8.0905 9.7891 9.8706 10.7083 10.7834 12.1029 12.1208 12.2939 12.3635 k = 0.5280 0.3668 0.0620 ( 4109 PWs) bands (ev): -15.4828 -15.4814 -15.0991 -15.0948 -14.8503 -14.8445 -14.0902 -14.0861 -13.7938 -13.7905 -13.6023 -13.5979 -6.0691 -6.0629 -4.2437 -4.2415 -3.0704 -3.0580 -2.6761 -2.6620 -1.3380 -1.3313 -1.1254 -1.1011 -0.4878 -0.4238 -0.3466 -0.2755 -0.0129 0.0368 0.5219 0.5392 0.9060 0.9097 1.2103 1.2308 1.8415 1.8887 2.4226 2.4286 2.9389 2.9691 3.0808 3.1033 3.1354 3.1404 3.4506 3.4577 3.9207 3.9691 8.0215 8.0859 9.7946 9.8686 10.7090 10.7750 12.0973 12.1161 12.2924 12.3540 k = 0.5249 0.3646 0.0750 ( 4113 PWs) bands (ev): -15.4837 -15.4823 -15.0923 -15.0878 -14.8536 -14.8477 -14.0896 -14.0858 -13.7941 -13.7911 -13.6068 -13.6026 -6.0517 -6.0459 -4.2699 -4.2679 -3.0770 -3.0659 -2.6613 -2.6484 -1.3310 -1.3241 -1.1374 -1.1168 -0.4779 -0.4154 -0.3375 -0.2663 -0.0035 0.0411 0.5088 0.5252 0.9046 0.9089 1.1904 1.2108 1.8417 1.8840 2.4654 2.4708 2.9470 2.9737 3.0794 3.0988 3.1254 3.1325 3.4330 3.4399 3.9284 3.9727 8.0236 8.0812 9.8002 9.8663 10.7098 10.7671 12.0919 12.1110 12.2914 12.3451 k = 0.5218 0.3625 0.0879 ( 4112 PWs) bands (ev): -15.4847 -15.4835 -15.0855 -15.0810 -14.8565 -14.8507 -14.0889 -14.0856 -13.7943 -13.7917 -13.6109 -13.6071 -6.0351 -6.0298 -4.2945 -4.2927 -3.0824 -3.0726 -2.6478 -2.6362 -1.3244 -1.3175 -1.1487 -1.1316 -0.4685 -0.4092 -0.3280 -0.2596 0.0065 0.0455 0.4960 0.5114 0.9057 0.9106 1.1702 1.1902 1.8421 1.8793 2.5097 2.5147 2.9525 2.9757 3.0781 3.0935 3.1153 3.1236 3.4163 3.4227 3.9359 3.9757 8.0258 8.0765 9.8056 9.8639 10.7109 10.7599 12.0870 12.1056 12.2906 12.3367 k = 0.5187 0.3603 0.1009 ( 4115 PWs) bands (ev): -15.4858 -15.4847 -15.0791 -15.0747 -14.8590 -14.8535 -14.0884 -14.0854 -13.7945 -13.7923 -13.6147 -13.6113 -6.0197 -6.0151 -4.3169 -4.3154 -3.0867 -3.0783 -2.6356 -2.6255 -1.3182 -1.3115 -1.1591 -1.1453 -0.4595 -0.4051 -0.3183 -0.2552 0.0166 0.0499 0.4840 0.4980 0.9091 0.9145 1.1500 1.1693 1.8428 1.8747 2.5550 2.5597 2.9537 2.9739 3.0763 3.0869 3.1074 3.1149 3.4009 3.4067 3.9432 3.9780 8.0281 8.0718 9.8110 9.8613 10.7121 10.7533 12.0827 12.1002 12.2903 12.3290 k = 0.5156 0.3581 0.1138 ( 4112 PWs) bands (ev): -15.4869 -15.4859 -15.0732 -15.0691 -14.8611 -14.8561 -14.0878 -14.0853 -13.7946 -13.7928 -13.6179 -13.6150 -6.0059 -6.0019 -4.3369 -4.3356 -3.0901 -3.0830 -2.6249 -2.6163 -1.3125 -1.3062 -1.1684 -1.1576 -0.4508 -0.4030 -0.3086 -0.2530 0.0265 0.0539 0.4733 0.4856 0.9145 0.9203 1.1304 1.1485 1.8438 1.8703 2.6006 2.6051 2.9486 2.9664 3.0727 3.0814 3.1026 3.1076 3.3872 3.3922 3.9501 3.9797 8.0305 8.0671 9.8163 9.8584 10.7135 10.7473 12.0791 12.0949 12.2904 12.3221 k = 0.5125 0.3560 0.1267 ( 4098 PWs) bands (ev): -15.4879 -15.4871 -15.0680 -15.0644 -14.8628 -14.8584 -14.0873 -14.0852 -13.7947 -13.7932 -13.6206 -13.6182 -5.9939 -5.9907 -4.3538 -4.3528 -3.0925 -3.0869 -2.6158 -2.6088 -1.3073 -1.3017 -1.1765 -1.1683 -0.4426 -0.4027 -0.2991 -0.2527 0.0357 0.0573 0.4642 0.4745 0.9214 0.9275 1.1121 1.1284 1.8451 1.8663 2.6459 2.6504 2.9360 2.9517 3.0686 3.0782 3.0999 3.1029 3.3755 3.3795 3.9565 3.9806 8.0332 8.0626 9.8214 9.8553 10.7152 10.7418 12.0765 12.0898 12.2910 12.3159 k = 0.5093 0.3538 0.1397 ( 4094 PWs) bands (ev): -15.4887 -15.4881 -15.0637 -15.0607 -14.8639 -14.8604 -14.0868 -14.0853 -13.7948 -13.7936 -13.6227 -13.6209 -5.9842 -5.9817 -4.3674 -4.3666 -3.0942 -3.0900 -2.6084 -2.6031 -1.3027 -1.2981 -1.1830 -1.1772 -0.4349 -0.4040 -0.2901 -0.2541 0.0438 0.0598 0.4571 0.4651 0.9292 0.9351 1.0960 1.1098 1.8468 1.8626 2.6904 2.6949 2.9161 2.9294 3.0668 3.0757 3.0986 3.1009 3.3661 3.3692 3.9623 3.9806 8.0361 8.0582 9.8264 9.8519 10.7172 10.7369 12.0748 12.0853 12.2920 12.3104 k = 0.5062 0.3516 0.1526 ( 4098 PWs) bands (ev): -15.4892 -15.4888 -15.0603 -15.0582 -14.8645 -14.8621 -14.0864 -14.0854 -13.7947 -13.7940 -13.6242 -13.6229 -5.9769 -5.9752 -4.3774 -4.3768 -3.0952 -3.0924 -2.6028 -2.5992 -1.2989 -1.2956 -1.1877 -1.1841 -0.4277 -0.4066 -0.2816 -0.2572 0.0506 0.0611 0.4522 0.4577 0.9371 0.9420 1.0834 1.0938 1.8487 1.8593 2.7331 2.7378 2.8903 2.9011 3.0669 3.0735 3.0984 3.1003 3.3592 3.3613 3.9674 3.9797 8.0391 8.0539 9.8312 9.8482 10.7195 10.7326 12.0741 12.0813 12.2935 12.3057 k = 0.5031 0.3495 0.1656 ( 4100 PWs) bands (ev): -15.4896 -15.4893 -15.0580 -15.0569 -14.8646 -14.8634 -14.0860 -14.0855 -13.7946 -13.7942 -13.6249 -13.6243 -5.9723 -5.9715 -4.3833 -4.3831 -3.0955 -3.0941 -2.5990 -2.5972 -1.2962 -1.2944 -1.1904 -1.1886 -0.4212 -0.4105 -0.2740 -0.2616 0.0557 0.0609 0.4498 0.4526 0.9436 0.9465 1.0761 1.0817 1.8509 1.8562 2.7722 2.7771 2.8617 2.8695 3.0681 3.0715 3.0989 3.1000 3.3552 3.3563 3.9718 3.9780 8.0425 8.0499 9.8358 9.8443 10.7222 10.7287 12.0745 12.0781 12.2956 12.3016 k = 0.5000 0.3473 0.1785 ( 4098 PWs) bands (ev): -15.4896 -15.4896 -15.0568 -15.0568 -14.8643 -14.8643 -14.0857 -14.0857 -13.7945 -13.7945 -13.6250 -13.6250 -5.9705 -5.9705 -4.3853 -4.3853 -3.0951 -3.0951 -2.5972 -2.5972 -1.2946 -1.2946 -1.1907 -1.1907 -0.4154 -0.4154 -0.2672 -0.2672 0.0592 0.0592 0.4499 0.4499 0.9471 0.9471 1.0754 1.0754 1.8534 1.8534 2.7974 2.7974 2.8458 2.8458 3.0697 3.0697 3.0995 3.0995 3.3542 3.3542 3.9753 3.9753 8.0461 8.0461 9.8402 9.8402 10.7252 10.7252 12.0758 12.0758 12.2983 12.2983 k = 0.5000 0.3473 0.1785 ( 4098 PWs) bands (ev): -15.4896 -15.4896 -15.0568 -15.0568 -14.8643 -14.8643 -14.0857 -14.0857 -13.7945 -13.7945 -13.6250 -13.6250 -5.9705 -5.9705 -4.3853 -4.3853 -3.0951 -3.0951 -2.5972 -2.5972 -1.2946 -1.2946 -1.1907 -1.1907 -0.4154 -0.4154 -0.2672 -0.2672 0.0592 0.0592 0.4499 0.4499 0.9471 0.9471 1.0754 1.0754 1.8534 1.8534 2.7974 2.7974 2.8458 2.8458 3.0697 3.0697 3.0995 3.0995 3.3542 3.3542 3.9753 3.9753 8.0461 8.0461 9.8402 9.8402 10.7252 10.7252 12.0758 12.0758 12.2983 12.2983 k = 0.5075 0.3365 0.1785 ( 4100 PWs) bands (ev): -15.4905 -15.4900 -15.0569 -15.0569 -14.8638 -14.8635 -14.0859 -14.0859 -13.7942 -13.7940 -13.6249 -13.6248 -5.9703 -5.9703 -4.3867 -4.3845 -3.0956 -3.0939 -2.5971 -2.5969 -1.2960 -1.2956 -1.1959 -1.1872 -0.4179 -0.4149 -0.2682 -0.2679 0.0572 0.0632 0.4498 0.4502 0.9461 0.9509 1.0772 1.0772 1.8545 1.8550 2.7960 2.7963 2.8461 2.8461 3.0615 3.0751 3.0945 3.1081 3.3538 3.3538 3.9742 3.9746 8.0350 8.0588 9.8367 9.8440 10.7242 10.7257 12.0741 12.0748 12.2971 12.2972 k = 0.5151 0.3256 0.1785 ( 4094 PWs) bands (ev): -15.4926 -15.4918 -15.0572 -15.0571 -14.8621 -14.8616 -14.0864 -14.0863 -13.7934 -13.7930 -13.6246 -13.6243 -5.9697 -5.9697 -4.3888 -4.3843 -3.0955 -3.0920 -2.5968 -2.5964 -1.2998 -1.2991 -1.2026 -1.1854 -0.4224 -0.4165 -0.2708 -0.2701 0.0573 0.0692 0.4498 0.4507 0.9479 0.9574 1.0823 1.0824 1.8581 1.8592 2.7920 2.7927 2.8470 2.8471 3.0531 3.0726 3.0982 3.1177 3.3526 3.3527 3.9714 3.9721 8.0255 8.0731 9.8334 9.8480 10.7227 10.7256 12.0695 12.0709 12.2937 12.2938 k = 0.5226 0.3148 0.1785 ( 4094 PWs) bands (ev): -15.4960 -15.4948 -15.0576 -15.0576 -14.8592 -14.8585 -14.0872 -14.0871 -13.7919 -13.7913 -13.6241 -13.6237 -5.9688 -5.9687 -4.3915 -4.3847 -3.0947 -3.0896 -2.5961 -2.5956 -1.3059 -1.3049 -1.2108 -1.1853 -0.4288 -0.4201 -0.2749 -0.2738 0.0594 0.0772 0.4500 0.4513 0.9524 0.9667 1.0908 1.0909 1.8644 1.8659 2.7856 2.7865 2.8486 2.8486 3.0450 3.0656 3.1069 3.1278 3.3506 3.3507 3.9668 3.9679 8.0176 8.0890 9.8304 9.8524 10.7205 10.7251 12.0621 12.0644 12.2880 12.2881 k = 0.5301 0.3039 0.1785 ( 4094 PWs) bands (ev): -15.5007 -15.4991 -15.0582 -15.0582 -14.8551 -14.8543 -14.0883 -14.0881 -13.7898 -13.7891 -13.6233 -13.6228 -5.9675 -5.9673 -4.3947 -4.3859 -3.0932 -3.0865 -2.5953 -2.5945 -1.3144 -1.3130 -1.2203 -1.1868 -0.4369 -0.4258 -0.2802 -0.2790 0.0634 0.0870 0.4503 0.4520 0.9596 0.9786 1.1023 1.1024 1.8732 1.8753 2.7768 2.7780 2.8508 2.8509 3.0374 3.0580 3.1169 3.1379 3.3478 3.3479 3.9605 3.9619 8.0112 8.1065 9.8278 9.8570 10.7177 10.7242 12.0520 12.0552 12.2802 12.2803 k = 0.5377 0.2931 0.1785 ( 4094 PWs) bands (ev): -15.5066 -15.5046 -15.0590 -15.0590 -14.8500 -14.8490 -14.0896 -14.0894 -13.7872 -13.7863 -13.6223 -13.6217 -5.9658 -5.9656 -4.3986 -4.3876 -3.0911 -3.0830 -2.5942 -2.5933 -1.3251 -1.3234 -1.2309 -1.1898 -0.4466 -0.4333 -0.2867 -0.2853 0.0694 0.0986 0.4508 0.4529 0.9693 0.9930 1.1165 1.1166 1.8846 1.8871 2.7658 2.7672 2.8536 2.8537 3.0304 3.0505 3.1272 3.1480 3.3442 3.3443 3.9525 3.9543 8.0063 8.1254 9.8254 9.8619 10.7143 10.7228 12.0393 12.0435 12.2703 12.2705 k = 0.5452 0.2823 0.1785 ( 4096 PWs) bands (ev): -15.5136 -15.5113 -15.0600 -15.0599 -14.8437 -14.8426 -14.0911 -14.0909 -13.7840 -13.7829 -13.6211 -13.6203 -5.9636 -5.9634 -4.4030 -4.3901 -3.0883 -3.0790 -2.5931 -2.5920 -1.3379 -1.3360 -1.2424 -1.1941 -0.4577 -0.4425 -0.2940 -0.2927 0.0771 0.1117 0.4515 0.4539 0.9814 1.0097 1.1332 1.1333 1.8984 1.9014 2.7529 2.7544 2.8571 2.8572 3.0240 3.0434 3.1376 3.1580 3.3398 3.3399 3.9429 3.9450 8.0028 8.1457 9.8235 9.8670 10.7102 10.7212 12.0242 12.0295 12.2586 12.2588 k = 0.5527 0.2714 0.1785 ( 4098 PWs) bands (ev): -15.5217 -15.5191 -15.0612 -15.0611 -14.8364 -14.8352 -14.0928 -14.0926 -13.7803 -13.7791 -13.6197 -13.6188 -5.9611 -5.9608 -4.4079 -4.3932 -3.0850 -3.0746 -2.5919 -2.5906 -1.3527 -1.3506 -1.2545 -1.1995 -0.4700 -0.4532 -0.3020 -0.3008 0.0865 0.1262 0.4523 0.4550 0.9956 1.0286 1.1519 1.1520 1.9146 1.9180 2.7381 2.7397 2.8611 2.8613 3.0181 3.0366 3.1479 3.1677 3.3346 3.3348 3.9318 3.9341 8.0005 8.1673 9.8219 9.8725 10.7055 10.7194 12.0067 12.0133 12.2452 12.2454 k = 0.5602 0.2606 0.1785 ( 4096 PWs) bands (ev): -15.5308 -15.5280 -15.0626 -15.0625 -14.8282 -14.8269 -14.0946 -14.0943 -13.7762 -13.7748 -13.6180 -13.6170 -5.9580 -5.9578 -4.4134 -4.3969 -3.0811 -3.0700 -2.5907 -2.5893 -1.3694 -1.3671 -1.2670 -1.2059 -0.4834 -0.4652 -0.3104 -0.3095 0.0973 0.1419 0.4532 0.4561 1.0119 1.0494 1.1723 1.1724 1.9330 1.9369 2.7217 2.7235 2.8657 2.8660 3.0127 3.0302 3.1579 3.1771 3.3287 3.3288 3.9192 3.9218 7.9994 8.1901 9.8208 9.8783 10.7002 10.7173 11.9872 11.9951 12.2303 12.2304 k = 0.5678 0.2497 0.1785 ( 4094 PWs) bands (ev): -15.5409 -15.5378 -15.0643 -15.0641 -14.8190 -14.8176 -14.0964 -14.0961 -13.7716 -13.7701 -13.6161 -13.6150 -5.9545 -5.9542 -4.4194 -4.4013 -3.0767 -3.0650 -2.5897 -2.5882 -1.3878 -1.3853 -1.2797 -1.2129 -0.4974 -0.4782 -0.3190 -0.3186 0.1095 0.1586 0.4541 0.4573 1.0300 1.0719 1.1941 1.1942 1.9536 1.9578 2.7040 2.7059 2.8710 2.8713 3.0076 3.0242 3.1676 3.1862 3.3220 3.3222 3.9052 3.9081 7.9994 8.2139 9.8202 9.8845 10.6942 10.7152 11.9658 11.9752 12.2141 12.2141 k = 0.5753 0.2389 0.1785 ( 4090 PWs) bands (ev): -15.5518 -15.5485 -15.0662 -15.0660 -14.8089 -14.8076 -14.0982 -14.0979 -13.7667 -13.7650 -13.6140 -13.6129 -5.9505 -5.9502 -4.4258 -4.4063 -3.0719 -3.0600 -2.5889 -2.5873 -1.4078 -1.4052 -1.2923 -1.2204 -0.5118 -0.4918 -0.3278 -0.3277 0.1228 0.1760 0.4550 0.4584 1.0496 1.0959 1.2170 1.2171 1.9761 1.9807 2.6851 2.6872 2.8768 2.8772 3.0029 3.0184 3.1769 3.1948 3.3145 3.3147 3.8899 3.8930 8.0002 8.2386 9.8201 9.8909 10.6876 10.7132 11.9429 11.9538 12.1967 12.1967 k = 0.5828 0.2281 0.1785 ( 4100 PWs) bands (ev): -15.5636 -15.5601 -15.0683 -15.0681 -14.7981 -14.7968 -14.0999 -14.0997 -13.7614 -13.7596 -13.6118 -13.6105 -5.9461 -5.9457 -4.4327 -4.4120 -3.0667 -3.0548 -2.5886 -2.5868 -1.4293 -1.4266 -1.3045 -1.2282 -0.5264 -0.5057 -0.3371 -0.3362 0.1371 0.1941 0.4559 0.4593 1.0706 1.1212 1.2407 1.2409 2.0002 2.0052 2.6653 2.6676 2.8831 2.8836 2.9984 3.0128 3.1857 3.2029 3.3064 3.3066 3.8734 3.8767 8.0019 8.2639 9.8205 9.8976 10.6803 10.7112 11.9186 11.9311 12.1783 12.1784 k = 0.5904 0.2172 0.1785 ( 4096 PWs) bands (ev): -15.5762 -15.5725 -15.0707 -15.0705 -14.7865 -14.7852 -14.1016 -14.1013 -13.7559 -13.7540 -13.6093 -13.6080 -5.9410 -5.9406 -4.4401 -4.4182 -3.0612 -3.0497 -2.5886 -2.5868 -1.4521 -1.4494 -1.3163 -1.2359 -0.5408 -0.5196 -0.3461 -0.3444 0.1521 0.2127 0.4566 0.4602 1.0926 1.1474 1.2650 1.2653 2.0259 2.0312 2.6448 2.6473 2.8900 2.8905 2.9942 3.0075 3.1941 3.2106 3.2975 3.2977 3.8559 3.8594 8.0042 8.2898 9.8216 9.9046 10.6725 10.7094 11.8934 11.9074 12.1592 12.1593 k = 0.5979 0.2064 0.1785 ( 4094 PWs) bands (ev): -15.5894 -15.5856 -15.0734 -15.0732 -14.7742 -14.7730 -14.1030 -14.1028 -13.7501 -13.7481 -13.6067 -13.6053 -5.9354 -5.9350 -4.4479 -4.4250 -3.0554 -3.0447 -2.5893 -2.5873 -1.4761 -1.4733 -1.3274 -1.2435 -0.5549 -0.5332 -0.3547 -0.3523 0.1676 0.2315 0.4572 0.4608 1.1154 1.1744 1.2898 1.2902 2.0527 2.0583 2.6238 2.6266 2.8973 2.8980 2.9901 3.0023 3.2019 3.2177 3.2880 3.2882 3.8374 3.8410 8.0070 8.3160 9.8231 9.9117 10.6641 10.7080 11.8674 11.8829 12.1395 12.1396 k = 0.6054 0.1955 0.1785 ( 4090 PWs) bands (ev): -15.6032 -15.5993 -15.0764 -15.0762 -14.7612 -14.7602 -14.1043 -14.1041 -13.7441 -13.7420 -13.6039 -13.6025 -5.9292 -5.9288 -4.4561 -4.4325 -3.0496 -3.0399 -2.5906 -2.5886 -1.5010 -1.4983 -1.3376 -1.2507 -0.5683 -0.5463 -0.3629 -0.3596 0.1834 0.2503 0.4575 0.4612 1.1388 1.2019 1.3148 1.3154 2.0804 2.0862 2.6026 2.6056 2.9052 2.9059 2.9861 2.9972 3.2091 3.2243 3.2779 3.2781 3.8181 3.8219 8.0101 8.3422 9.8253 9.9190 10.6553 10.7070 11.8412 11.8579 12.1194 12.1196 k = 0.6130 0.1847 0.1785 ( 4088 PWs) bands (ev): -15.6177 -15.6137 -15.0797 -15.0794 -14.7477 -14.7468 -14.1053 -14.1051 -13.7379 -13.7357 -13.6010 -13.5995 -5.9224 -5.9220 -4.4647 -4.4404 -3.0436 -3.0353 -2.5927 -2.5907 -1.5269 -1.5242 -1.3468 -1.2573 -0.5809 -0.5585 -0.3704 -0.3662 0.1995 0.2691 0.4577 0.4614 1.1625 1.2296 1.3401 1.3408 2.1086 2.1147 2.5812 2.5846 2.9135 2.9144 2.9823 2.9923 3.2157 3.2301 3.2674 3.2676 3.7981 3.8020 8.0134 8.3683 9.8279 9.9264 10.6461 10.7067 11.8148 11.8326 12.0991 12.0993 k = 0.6205 0.1739 0.1785 ( 4088 PWs) bands (ev): -15.6326 -15.6286 -15.0833 -15.0830 -14.7336 -14.7329 -14.1060 -14.1058 -13.7315 -13.7293 -13.5979 -13.5965 -5.9150 -5.9145 -4.4737 -4.4489 -3.0376 -3.0310 -2.5956 -2.5936 -1.5535 -1.5508 -1.3548 -1.2632 -0.5924 -0.5696 -0.3772 -0.3720 0.2155 0.2877 0.4576 0.4613 1.1862 1.2574 1.3654 1.3663 2.1370 2.1433 2.5600 2.5637 2.9223 2.9233 2.9785 2.9875 3.2213 3.2346 3.2567 3.2573 3.7775 3.7815 8.0168 8.3941 9.8310 9.9337 10.6365 10.7070 11.7886 11.8072 12.0787 12.0790 k = 0.6280 0.1630 0.1785 ( 4086 PWs) bands (ev): -15.6481 -15.6440 -15.0872 -15.0869 -14.7189 -14.7184 -14.1064 -14.1062 -13.7250 -13.7227 -13.5947 -13.5933 -5.9069 -5.9064 -4.4830 -4.4579 -3.0317 -3.0270 -2.5995 -2.5975 -1.5807 -1.5782 -1.3616 -1.2683 -0.6028 -0.5797 -0.3832 -0.3770 0.2313 0.3059 0.4574 0.4611 1.2097 1.2850 1.3907 1.3919 2.1651 2.1716 2.5392 2.5431 2.9315 2.9326 2.9748 2.9828 3.2251 3.2351 3.2469 3.2499 3.7564 3.7605 8.0200 8.4193 9.8344 9.9408 10.6269 10.7081 11.7630 11.7821 12.0585 12.0588 k = 0.6355 0.1522 0.1785 ( 4084 PWs) bands (ev): -15.6639 -15.6598 -15.0915 -15.0912 -14.7038 -14.7035 -14.1065 -14.1063 -13.7185 -13.7161 -13.5914 -13.5900 -5.8982 -5.8976 -4.4927 -4.4674 -3.0259 -3.0235 -2.6043 -2.6023 -1.6085 -1.6060 -1.3670 -1.2725 -0.6118 -0.5884 -0.3882 -0.3810 0.2468 0.3237 0.4570 0.4607 1.2328 1.3120 1.4160 1.4174 2.1927 2.1994 2.5189 2.5230 2.9411 2.9424 2.9713 2.9782 3.2232 3.2272 3.2417 3.2500 3.7351 3.7393 8.0230 8.4436 9.8380 9.9475 10.6173 10.7102 11.7381 11.7574 12.0386 12.0388 k = 0.6431 0.1413 0.1785 ( 4082 PWs) bands (ev): -15.6801 -15.6760 -15.0961 -15.0958 -14.6883 -14.6882 -14.1061 -14.1059 -13.7119 -13.7095 -13.5880 -13.5866 -5.8887 -5.8881 -4.5027 -4.4773 -3.0205 -3.0202 -2.6102 -2.6082 -1.6367 -1.6343 -1.3711 -1.2757 -0.6195 -0.5958 -0.3921 -0.3840 0.2618 0.3409 0.4566 0.4603 1.2553 1.3385 1.4410 1.4428 2.2194 2.2262 2.4993 2.5037 2.9508 2.9523 2.9681 2.9739 3.2140 3.2155 3.2429 3.2529 3.7137 3.7179 8.0257 8.4669 9.8417 9.9539 10.6080 10.7133 11.7143 11.7333 12.0191 12.0193 k = 0.6506 0.1305 0.1785 ( 4082 PWs) bands (ev): -15.6967 -15.6926 -15.1011 -15.1008 -14.6725 -14.6723 -14.1053 -14.1052 -13.7052 -13.7028 -13.5845 -13.5832 -5.8786 -5.8780 -4.5129 -4.4876 -3.0179 -3.0148 -2.6171 -2.6152 -1.6651 -1.6630 -1.3737 -1.2779 -0.6258 -0.6018 -0.3950 -0.3858 0.2762 0.3574 0.4562 0.4599 1.2769 1.3640 1.4658 1.4679 2.2447 2.2517 2.4807 2.4852 2.9599 2.9608 2.9668 2.9707 3.2021 3.2028 3.2460 3.2561 3.6922 3.6964 8.0278 8.4889 9.8450 9.9595 10.5993 10.7175 11.6917 11.7100 12.0003 12.0004 k = 0.6581 0.1196 0.1785 ( 4082 PWs) bands (ev): -15.7136 -15.7094 -15.1065 -15.1061 -14.6564 -14.6559 -14.1041 -14.1040 -13.6986 -13.6961 -13.5810 -13.5797 -5.8677 -5.8671 -4.5235 -4.4984 -3.0158 -3.0096 -2.6250 -2.6231 -1.6939 -1.6918 -1.3750 -1.2790 -0.6308 -0.6064 -0.3966 -0.3864 0.2898 0.3730 0.4559 0.4597 1.2974 1.3885 1.4903 1.4928 2.2683 2.2754 2.4633 2.4679 2.9601 2.9625 2.9744 2.9750 3.1895 3.1897 3.2492 3.2590 3.6708 3.6751 8.0294 8.5094 9.8480 9.9645 10.5913 10.7229 11.6704 11.6878 11.9821 11.9822 k = 0.3419-0.4922 0.3467 ( 4082 PWs) bands (ev): -15.7136 -15.7094 -15.1065 -15.1061 -14.6564 -14.6559 -14.1041 -14.1040 -13.6986 -13.6961 -13.5810 -13.5797 -5.8677 -5.8671 -4.5235 -4.4984 -3.0158 -3.0096 -2.6250 -2.6231 -1.6939 -1.6918 -1.3750 -1.2790 -0.6308 -0.6064 -0.3966 -0.3864 0.2898 0.3730 0.4559 0.4597 1.2974 1.3885 1.4903 1.4928 2.2683 2.2754 2.4633 2.4679 2.9601 2.9625 2.9744 2.9750 3.1895 3.1897 3.2492 3.2590 3.6708 3.6751 8.0294 8.5094 9.8480 9.9645 10.5913 10.7229 11.6704 11.6878 11.9821 11.9822 k = 0.3341-0.4810 0.3467 ( 4074 PWs) bands (ev): -15.7312 -15.7271 -15.1123 -15.1120 -14.6394 -14.6387 -14.1024 -14.1022 -13.6917 -13.6892 -13.5773 -13.5761 -5.8558 -5.8551 -4.5346 -4.5098 -3.0141 -3.0045 -2.6342 -2.6324 -1.7236 -1.7218 -1.3749 -1.2790 -0.6345 -0.6099 -0.3970 -0.3856 0.3030 0.3882 0.4560 0.4598 1.3173 1.4125 1.5151 1.5181 2.2904 2.2977 2.4469 2.4514 2.9571 2.9591 2.9844 2.9861 3.1762 3.1765 3.2522 3.2616 3.6490 3.6533 8.0302 8.5287 9.8502 9.9686 10.5843 10.7298 11.6502 11.6660 11.9643 11.9643 k = 0.3263-0.4698 0.3467 ( 4076 PWs) bands (ev): -15.7491 -15.7450 -15.1186 -15.1182 -14.6221 -14.6211 -14.1001 -14.1000 -13.6849 -13.6823 -13.5736 -13.5725 -5.8430 -5.8424 -4.5460 -4.5216 -3.0130 -2.9998 -2.6445 -2.6428 -1.7535 -1.7518 -1.3733 -1.2779 -0.6369 -0.6120 -0.3960 -0.3834 0.3150 0.4022 0.4567 0.4603 1.3357 1.4349 1.5394 1.5428 2.3097 2.3172 2.4323 2.4367 2.9541 2.9552 2.9950 2.9974 3.1630 3.1637 3.2548 3.2637 3.6275 3.6320 8.0302 8.5460 9.8513 9.9717 10.5787 10.7378 11.6318 11.6456 11.9475 11.9475 k = 0.3186-0.4586 0.3467 ( 4074 PWs) bands (ev): -15.7671 -15.7631 -15.1252 -15.1248 -14.6045 -14.6032 -14.0974 -14.0973 -13.6781 -13.6755 -13.5698 -13.5688 -5.8295 -5.8288 -4.5575 -4.5338 -3.0124 -2.9954 -2.6557 -2.6541 -1.7834 -1.7818 -1.3704 -1.2758 -0.6381 -0.6130 -0.3935 -0.3797 0.3259 0.4149 0.4581 0.4615 1.3524 1.4557 1.5629 1.5669 2.3257 2.3334 2.4200 2.4242 2.9511 2.9513 3.0053 3.0083 3.1506 3.1519 3.2568 3.2652 3.6066 3.6111 8.0292 8.5610 9.8511 9.9736 10.5749 10.7469 11.6153 11.6268 11.9318 11.9320 k = 0.3108-0.4474 0.3467 ( 4074 PWs) bands (ev): -15.7853 -15.7813 -15.1322 -15.1317 -14.5867 -14.5850 -14.0942 -14.0941 -13.6714 -13.6688 -13.5661 -13.5652 -5.8152 -5.8145 -4.5693 -4.5461 -3.0122 -2.9914 -2.6678 -2.6663 -1.8131 -1.8118 -1.3663 -1.2726 -0.6382 -0.6130 -0.3896 -0.3745 0.3356 0.4260 0.4607 0.4635 1.3675 1.4748 1.5856 1.5902 2.3378 2.3455 2.4106 2.4144 2.9475 2.9483 3.0144 3.0183 3.1396 3.1416 3.2583 3.2663 3.5864 3.5910 8.0272 8.5736 9.8492 9.9743 10.5731 10.7569 11.6008 11.6097 11.9174 11.9177 k = 0.3030-0.4362 0.3467 ( 4078 PWs) bands (ev): -15.8035 -15.7997 -15.1395 -15.1390 -14.5686 -14.5666 -14.0904 -14.0904 -13.6648 -13.6622 -13.5624 -13.5616 -5.8002 -5.7995 -4.5812 -4.5588 -3.0124 -2.9877 -2.6807 -2.6794 -1.8428 -1.8416 -1.3610 -1.2685 -0.6374 -0.6122 -0.3842 -0.3678 0.3440 0.4353 0.4648 0.4665 1.3808 1.4921 1.6072 1.6125 2.3451 2.3527 2.4047 2.4082 2.9439 2.9457 3.0214 3.0261 3.1311 3.1339 3.2592 3.2668 3.5670 3.5716 8.0242 8.5835 9.8457 9.9738 10.5732 10.7676 11.5884 11.5945 11.9044 11.9048 k = 0.2952-0.4250 0.3467 ( 4080 PWs) bands (ev): -15.8219 -15.8181 -15.1472 -15.1467 -14.5502 -14.5479 -14.0862 -14.0861 -13.6582 -13.6556 -13.5587 -13.5581 -5.7844 -5.7837 -4.5933 -4.5716 -3.0131 -2.9844 -2.6944 -2.6931 -1.8722 -1.8712 -1.3546 -1.2635 -0.6360 -0.6107 -0.3773 -0.3594 0.3511 0.4429 0.4703 0.4706 1.3922 1.5076 1.6276 1.6336 2.3476 2.3547 2.4023 2.4059 2.9405 2.9433 3.0250 3.0306 3.1264 3.1301 3.2596 3.2669 3.5484 3.5531 8.0199 8.5907 9.8403 9.9720 10.5754 10.7785 11.5781 11.5814 11.8929 11.8934 k = 0.2875-0.4139 0.3467 ( 4086 PWs) bands (ev): -15.8402 -15.8365 -15.1551 -15.1546 -14.5317 -14.5290 -14.0815 -14.0814 -13.6518 -13.6492 -13.5551 -13.5547 -5.7679 -5.7671 -4.6054 -4.5845 -3.0140 -2.9814 -2.7086 -2.7075 -1.9014 -1.9005 -1.3473 -1.2577 -0.6340 -0.6088 -0.3690 -0.3495 0.3570 0.4493 0.4758 0.4769 1.4019 1.5214 1.6466 1.6534 2.3467 2.3530 2.4023 2.4060 2.9374 2.9411 3.0242 3.0303 3.1269 3.1310 3.2595 3.2664 3.5308 3.5356 8.0146 8.5949 9.8333 9.9691 10.5795 10.7893 11.5700 11.5703 11.8829 11.8836 k = 0.2797-0.4027 0.3467 ( 4084 PWs) bands (ev): -15.8585 -15.8549 -15.1634 -15.1628 -14.5130 -14.5100 -14.0763 -14.0762 -13.6455 -13.6429 -13.5516 -13.5513 -5.7506 -5.7498 -4.6176 -4.5976 -3.0152 -2.9787 -2.7234 -2.7224 -1.9303 -1.9295 -1.3392 -1.2513 -0.6316 -0.6067 -0.3592 -0.3381 0.3618 0.4551 0.4822 0.4842 1.4098 1.5333 1.6638 1.6715 2.3440 2.3495 2.4030 2.4067 2.9345 2.9391 3.0193 3.0253 3.1323 3.1364 3.2589 3.2656 3.5143 3.5193 8.0080 8.5961 9.8247 9.9651 10.5851 10.7996 11.5615 11.5640 11.8746 11.8754 k = 0.2719-0.3915 0.3467 ( 4086 PWs) bands (ev): -15.8768 -15.8733 -15.1719 -15.1713 -14.4941 -14.4908 -14.0706 -14.0706 -13.6394 -13.6368 -13.5482 -13.5481 -5.7326 -5.7319 -4.6298 -4.6107 -3.0167 -2.9764 -2.7385 -2.7377 -1.9588 -1.9581 -1.3304 -1.2442 -0.6291 -0.6044 -0.3480 -0.3251 0.3656 0.4608 0.4898 0.4917 1.4159 1.5437 1.6789 1.6878 2.3410 2.3457 2.4032 2.4068 2.9319 2.9373 3.0110 3.0168 3.1414 3.1453 3.2578 3.2643 3.4990 3.5041 8.0002 8.5942 9.8148 9.9602 10.5919 10.8090 11.5550 11.5600 11.8679 11.8689 k = 0.2642-0.3803 0.3467 ( 4082 PWs) bands (ev): -15.8950 -15.8915 -15.1806 -15.1801 -14.4752 -14.4715 -14.0645 -14.0645 -13.6334 -13.6309 -13.5449 -13.5449 -5.7140 -5.7132 -4.6421 -4.6239 -3.0182 -2.9743 -2.7540 -2.7533 -1.9869 -1.9863 -1.3210 -1.2367 -0.6266 -0.6023 -0.3356 -0.3108 0.3684 0.4664 0.4987 0.4996 1.4205 1.5524 1.6917 1.7019 2.3382 2.3422 2.4026 2.4059 2.9295 2.9358 3.0007 3.0061 3.1528 3.1564 3.2562 3.2626 3.4849 3.4902 7.9913 8.5892 9.8040 9.9543 10.5995 10.8170 11.5507 11.5581 11.8630 11.8641 k = 0.2564-0.3691 0.3467 ( 4080 PWs) bands (ev): -15.9131 -15.9097 -15.1896 -15.1890 -14.4561 -14.4522 -14.0580 -14.0580 -13.6276 -13.6251 -13.5419 -13.5417 -5.6947 -5.6939 -4.6543 -4.6370 -3.0199 -2.9724 -2.7696 -2.7692 -2.0145 -2.0140 -1.3111 -1.2287 -0.6242 -0.6003 -0.3220 -0.2952 0.3705 0.4716 0.5082 0.5089 1.4235 1.5598 1.7018 1.7135 2.3360 2.3394 2.4011 2.4040 2.9273 2.9345 2.9891 2.9940 3.1653 3.1687 3.2541 3.2605 3.4721 3.4776 7.9811 8.5809 9.7925 9.9477 10.6074 10.8233 11.5487 11.5579 11.8597 11.8610 k = 0.2486-0.3579 0.3467 ( 4080 PWs) bands (ev): -15.9310 -15.9277 -15.1987 -15.1981 -14.4370 -14.4327 -14.0511 -14.0511 -13.6219 -13.6195 -13.5391 -13.5387 -5.6749 -5.6741 -4.6664 -4.6501 -3.0217 -2.9708 -2.7854 -2.7851 -2.0417 -2.0412 -1.3008 -1.2204 -0.6220 -0.5985 -0.3073 -0.2784 0.3719 0.4761 0.5179 0.5203 1.4251 1.5659 1.7089 1.7224 2.3344 2.3372 2.3991 2.4014 2.9253 2.9334 2.9768 2.9811 3.1782 3.1816 3.2517 3.2582 3.4607 3.4663 7.9699 8.5696 9.7805 9.9404 10.6152 10.8275 11.5486 11.5594 11.8582 11.8596 k = 0.2409-0.3467 0.3467 ( 4084 PWs) bands (ev): -15.9487 -15.9455 -15.2080 -15.2074 -14.4179 -14.4133 -14.0439 -14.0439 -13.6165 -13.6140 -13.5364 -13.5358 -5.6545 -5.6537 -4.6785 -4.6631 -3.0234 -2.9694 -2.8013 -2.8011 -2.0683 -2.0679 -1.2902 -1.2118 -0.6201 -0.5971 -0.2917 -0.2606 0.3727 0.4797 0.5291 0.5331 1.4254 1.5707 1.7126 1.7282 2.3333 2.3356 2.3968 2.3986 2.9232 2.9325 2.9641 2.9677 3.1909 3.1944 3.2489 3.2557 3.4507 3.4565 7.9576 8.5551 9.7685 9.9325 10.6224 10.8296 11.5504 11.5623 11.8583 11.8599 k = 0.2331-0.3356 0.3467 ( 4082 PWs) bands (ev): -15.9662 -15.9631 -15.2174 -15.2168 -14.3987 -14.3938 -14.0364 -14.0363 -13.6112 -13.6088 -13.5340 -13.5331 -5.6336 -5.6328 -4.6904 -4.6760 -3.0251 -2.9682 -2.8171 -2.8171 -2.0943 -2.0940 -1.2793 -1.2030 -0.6185 -0.5960 -0.2754 -0.2419 0.3732 0.4821 0.5420 0.5472 1.4244 1.5744 1.7127 1.7307 2.3329 2.3347 2.3948 2.3959 2.9208 2.9317 2.9517 2.9540 3.2030 3.2068 3.2460 3.2532 3.4422 3.4481 7.9442 8.5377 9.7567 9.9241 10.6289 10.8294 11.5535 11.5662 11.8600 11.8618 k = 0.2253-0.3244 0.3467 ( 4084 PWs) bands (ev): -15.9834 -15.9804 -15.2269 -15.2263 -14.3796 -14.3744 -14.0285 -14.0285 -13.6061 -13.6038 -13.5317 -13.5306 -5.6122 -5.6114 -4.7022 -4.6888 -3.0267 -2.9671 -2.8329 -2.8327 -2.1198 -2.1195 -1.2683 -1.1940 -0.6172 -0.5951 -0.2587 -0.2226 0.3733 0.4835 0.5564 0.5624 1.4222 1.5770 1.7090 1.7297 2.3328 2.3342 2.3936 2.3938 2.9170 2.9304 2.9406 2.9407 3.2139 3.2182 3.2432 3.2512 3.4351 3.4411 7.9299 8.5174 9.7452 9.9153 10.6342 10.8270 11.5576 11.5709 11.8633 11.8653 k = 0.2175-0.3132 0.3467 ( 4086 PWs) bands (ev): -16.0004 -15.9975 -15.2365 -15.2359 -14.3605 -14.3551 -14.0204 -14.0204 -13.6013 -13.5990 -13.5296 -13.5283 -5.5905 -5.5897 -4.7138 -4.7013 -3.0282 -2.9662 -2.8486 -2.8482 -2.1446 -2.1443 -1.2571 -1.1849 -0.6161 -0.5945 -0.2418 -0.2030 0.3734 0.4841 0.5723 0.5788 1.4189 1.5784 1.7017 1.7253 2.3330 2.3342 2.3928 2.3934 2.9098 2.9230 2.9331 2.9333 3.2223 3.2269 3.2421 3.2507 3.4295 3.4357 7.9148 8.4944 9.7342 9.9062 10.6383 10.8224 11.5622 11.5758 11.8681 11.8702 k = 0.2098-0.3020 0.3467 ( 4084 PWs) bands (ev): -16.0170 -16.0142 -15.2461 -15.2455 -14.3416 -14.3358 -14.0121 -14.0121 -13.5966 -13.5944 -13.5277 -13.5262 -5.5684 -5.5676 -4.7252 -4.7136 -3.0295 -2.9654 -2.8641 -2.8635 -2.1688 -2.1685 -1.2459 -1.1756 -0.6152 -0.5940 -0.2249 -0.1832 0.3737 0.4841 0.5895 0.5961 1.4142 1.5784 1.6908 1.7174 2.3333 2.3344 2.3931 2.3946 2.8987 2.9092 2.9295 2.9324 3.2265 3.2288 3.2467 3.2532 3.4255 3.4317 7.8989 8.4689 9.7237 9.8968 10.6411 10.8159 11.5668 11.5805 11.8742 11.8765 k = 0.2020-0.2908 0.3467 ( 4076 PWs) bands (ev): -16.0333 -16.0306 -15.2556 -15.2550 -14.3227 -14.3167 -14.0036 -14.0035 -13.5922 -13.5900 -13.5260 -13.5243 -5.5460 -5.5452 -4.7364 -4.7256 -3.0307 -2.9647 -2.8793 -2.8786 -2.1923 -2.1920 -1.2346 -1.1663 -0.6143 -0.5935 -0.2084 -0.1636 0.3743 0.4837 0.6075 0.6142 1.4083 1.5765 1.6771 1.7064 2.3336 2.3347 2.3951 2.3974 2.8856 2.8945 2.9280 2.9324 3.2260 3.2264 3.2546 3.2589 3.4230 3.4291 7.8823 8.4412 9.7139 9.8871 10.6425 10.8077 11.5711 11.5848 11.8816 11.8841 k = 0.1942-0.2796 0.3467 ( 4078 PWs) bands (ev): -16.0492 -16.0466 -15.2652 -15.2646 -14.3040 -14.2978 -13.9949 -13.9949 -13.5880 -13.5859 -13.5246 -13.5227 -5.5235 -5.5227 -4.7473 -4.7374 -3.0317 -2.9642 -2.8942 -2.8933 -2.2151 -2.2148 -1.2233 -1.1570 -0.6134 -0.5929 -0.1926 -0.1445 0.3756 0.4833 0.6263 0.6328 1.4009 1.5720 1.6617 1.6928 2.3338 2.3350 2.3987 2.4019 2.8715 2.8795 2.9276 2.9327 3.2218 3.2239 3.2626 3.2658 3.4220 3.4280 7.8652 8.4114 9.7047 9.8773 10.6426 10.7980 11.5746 11.5881 11.8901 11.8928 k = 0.1865-0.2685 0.3467 ( 4078 PWs) bands (ev): -16.0647 -16.0622 -15.2746 -15.2740 -14.2855 -14.2791 -13.9862 -13.9861 -13.5840 -13.5820 -13.5234 -13.5213 -5.5008 -5.5000 -4.7579 -4.7488 -3.0325 -2.9637 -2.9088 -2.9076 -2.2372 -2.2368 -1.2119 -1.1476 -0.6121 -0.5920 -0.1778 -0.1261 0.3778 0.4830 0.6455 0.6517 1.3918 1.5634 1.6465 1.6770 2.3337 2.3351 2.4039 2.4080 2.8571 2.8645 2.9278 2.9331 3.2172 3.2202 3.2698 3.2727 3.4224 3.4282 7.8476 8.3799 9.6962 9.8673 10.6414 10.7870 11.5770 11.5903 11.8996 11.9024 k = 0.1787-0.2573 0.3467 ( 4072 PWs) bands (ev): -16.0798 -16.0774 -15.2839 -15.2833 -14.2672 -14.2606 -13.9773 -13.9773 -13.5802 -13.5783 -13.5225 -13.5202 -5.4780 -5.4773 -4.7682 -4.7599 -3.0331 -2.9634 -2.9230 -2.9216 -2.2585 -2.2581 -1.2006 -1.1382 -0.6105 -0.5906 -0.1642 -0.1088 0.3810 0.4831 0.6648 0.6706 1.3808 1.5491 1.6334 1.6600 2.3334 2.3351 2.4107 2.4155 2.8425 2.8495 2.9284 2.9337 3.2122 3.2159 3.2761 3.2789 3.4241 3.4297 7.8298 8.3468 9.6884 9.8571 10.6392 10.7751 11.5780 11.5909 11.9099 11.9129 k = 0.1709-0.2461 0.3467 ( 4080 PWs) bands (ev): -16.0945 -16.0922 -15.2931 -15.2925 -14.2491 -14.2424 -13.9685 -13.9684 -13.5767 -13.5749 -13.5217 -13.5193 -5.4553 -5.4546 -4.7782 -4.7707 -3.0335 -2.9632 -2.9367 -2.9352 -2.2791 -2.2786 -1.1893 -1.1288 -0.6083 -0.5887 -0.1520 -0.0928 0.3856 0.4838 0.6837 0.6891 1.3679 1.5285 1.6237 1.6424 2.3329 2.3349 2.4187 2.4242 2.8280 2.8346 2.9292 2.9344 3.2071 3.2112 3.2814 3.2844 3.4271 3.4324 7.8118 8.3125 9.6811 9.8468 10.6360 10.7624 11.5775 11.5900 11.9209 11.9239 k = 0.1632-0.2349 0.3467 ( 4082 PWs) bands (ev): -16.1086 -16.1065 -15.3021 -15.3015 -14.2314 -14.2245 -13.9596 -13.9596 -13.5734 -13.5716 -13.5212 -13.5186 -5.4327 -5.4320 -4.7878 -4.7810 -3.0337 -2.9635 -2.9497 -2.9483 -2.2989 -2.2984 -1.1781 -1.1194 -0.6054 -0.5860 -0.1416 -0.0785 0.3915 0.4854 0.7020 0.7068 1.3527 1.5027 1.6169 1.6251 2.3323 2.3346 2.4277 2.4337 2.8136 2.8198 2.9304 2.9352 3.2018 3.2064 3.2858 3.2891 3.4310 3.4359 7.7937 8.2772 9.6743 9.8364 10.6320 10.7493 11.5755 11.5874 11.9324 11.9355 k = 0.1554-0.2237 0.3467 ( 4086 PWs) bands (ev): -16.1223 -16.1202 -15.3109 -15.3104 -14.2140 -14.2070 -13.9508 -13.9507 -13.5703 -13.5687 -13.5210 -13.5182 -5.4103 -5.4096 -4.7971 -4.7910 -3.0338 -2.9670 -2.9609 -2.9592 -2.3178 -2.3173 -1.1669 -1.1101 -0.6017 -0.5825 -0.1329 -0.0660 0.3989 0.4879 0.7190 0.7233 1.3354 1.4735 1.6087 1.6118 2.3316 2.3342 2.4374 2.4437 2.7996 2.8054 2.9318 2.9362 3.1965 3.2014 3.2895 3.2932 3.4358 3.4403 7.7758 8.2411 9.6681 9.8259 10.6273 10.7358 11.5719 11.5831 11.9443 11.9475 k = 0.1476-0.2125 0.3467 ( 4082 PWs) bands (ev): -16.1354 -16.1335 -15.3195 -15.3189 -14.1969 -14.1899 -13.9421 -13.9420 -13.5675 -13.5659 -13.5209 -13.5180 -5.3881 -5.3875 -4.8060 -4.8005 -3.0339 -2.9778 -2.9729 -2.9612 -2.3360 -2.3354 -1.1559 -1.1008 -0.5969 -0.5779 -0.1259 -0.0556 0.4077 0.4915 0.7343 0.7380 1.3162 1.4424 1.5938 1.6077 2.3308 2.3337 2.4473 2.4540 2.7861 2.7915 2.9333 2.9373 3.1911 3.1963 3.2926 3.2966 3.4412 3.4454 7.7581 8.2044 9.6624 9.8154 10.6221 10.7222 11.5668 11.5772 11.9565 11.9598 k = 0.1399-0.2013 0.3467 ( 4076 PWs) bands (ev): -16.1480 -16.1462 -15.3278 -15.3273 -14.1803 -14.1733 -13.9335 -13.9334 -13.5649 -13.5634 -13.5211 -13.5181 -5.3663 -5.3657 -4.8145 -4.8096 -3.0341 -2.9897 -2.9841 -2.9616 -2.3534 -2.3527 -1.1449 -1.0917 -0.5910 -0.5722 -0.1207 -0.0473 0.4178 0.4962 0.7472 0.7505 1.2958 1.4108 1.5807 1.6041 2.3300 2.3331 2.4574 2.4641 2.7731 2.7781 2.9351 2.9384 3.1858 3.1911 3.2952 3.2996 3.4471 3.4509 7.7408 8.1675 9.6572 9.8049 10.6165 10.7086 11.5604 11.5699 11.9689 11.9721 k = 0.1321-0.1902 0.3467 ( 4074 PWs) bands (ev): -16.1601 -16.1583 -15.3358 -15.3353 -14.1641 -14.1571 -13.9251 -13.9250 -13.5625 -13.5611 -13.5215 -13.5184 -5.3450 -5.3444 -4.8226 -4.8183 -3.0347 -3.0015 -2.9942 -2.9619 -2.3699 -2.3692 -1.1340 -1.0827 -0.5839 -0.5652 -0.1170 -0.0412 0.4290 0.5019 0.7571 0.7600 1.2751 1.3799 1.5695 1.6005 2.3293 2.3325 2.4672 2.4739 2.7610 2.7655 2.9370 2.9397 3.1804 3.1860 3.2974 3.3021 3.4533 3.4567 7.7241 8.1304 9.6524 9.7943 10.6107 10.6951 11.5527 11.5613 11.9814 11.9846 k = 0.1243-0.1790 0.3467 ( 4072 PWs) bands (ev): -16.1715 -16.1699 -15.3435 -15.3430 -14.1484 -14.1415 -13.9169 -13.9168 -13.5603 -13.5591 -13.5221 -13.5189 -5.3242 -5.3236 -4.8303 -4.8264 -3.0363 -3.0130 -3.0026 -2.9622 -2.3856 -2.3849 -1.1233 -1.0739 -0.5755 -0.5570 -0.1148 -0.0371 0.4411 0.5085 0.7631 0.7658 1.2550 1.3506 1.5601 1.5971 2.3286 2.3319 2.4764 2.4830 2.7498 2.7538 2.9391 2.9411 3.1751 3.1808 3.2993 3.3043 3.4597 3.4627 7.7081 8.0935 9.6480 9.7837 10.6047 10.6820 11.5441 11.5516 11.9938 11.9969 k = 0.1165-0.1678 0.3467 ( 4074 PWs) bands (ev): -16.1824 -16.1808 -15.3509 -15.3504 -14.1333 -14.1264 -13.9089 -13.9088 -13.5583 -13.5572 -13.5228 -13.5196 -5.3040 -5.3035 -4.8375 -4.8342 -3.0396 -3.0240 -3.0087 -2.9626 -2.4004 -2.3997 -1.1127 -1.0654 -0.5658 -0.5475 -0.1137 -0.0351 0.4538 0.5158 0.7644 0.7674 1.2369 1.3241 1.5525 1.5935 2.3279 2.3313 2.4848 2.4911 2.7397 2.7431 2.9413 2.9426 3.1699 3.1757 3.3010 3.3062 3.4661 3.4688 7.6929 8.0569 9.6441 9.7732 10.5987 10.6693 11.5347 11.5412 12.0061 12.0092 k = 0.1088-0.1566 0.3467 ( 4070 PWs) bands (ev): -16.1926 -16.1912 -15.3579 -15.3574 -14.1188 -14.1120 -13.9013 -13.9011 -13.5566 -13.5556 -13.5237 -13.5205 -5.2846 -5.2841 -4.8443 -4.8414 -3.0450 -3.0345 -3.0120 -2.9631 -2.4143 -2.4136 -1.1023 -1.0571 -0.5547 -0.5366 -0.1136 -0.0349 0.4667 0.5236 0.7606 0.7641 1.2216 1.3010 1.5464 1.5899 2.3273 2.3306 2.4922 2.4981 2.7309 2.7337 2.9437 2.9442 3.1647 3.1707 3.3025 3.3079 3.4725 3.4750 7.6787 8.0208 9.6406 9.7628 10.5928 10.6570 11.5247 11.5303 12.0182 12.0212 k = 0.1010-0.1454 0.3467 ( 4074 PWs) bands (ev): -16.2022 -16.2009 -15.3645 -15.3640 -14.1049 -14.0983 -13.8939 -13.8938 -13.5550 -13.5542 -13.5247 -13.5216 -5.2660 -5.2656 -4.8507 -4.8482 -3.0520 -3.0446 -3.0130 -2.9638 -2.4274 -2.4266 -1.0922 -1.0491 -0.5423 -0.5245 -0.1142 -0.0363 0.4797 0.5316 0.7513 0.7557 1.2101 1.2821 1.5417 1.5863 2.3267 2.3300 2.4984 2.5036 2.7236 2.7257 2.9459 2.9461 3.1598 3.1657 3.3039 3.3094 3.4789 3.4811 7.6657 7.9854 9.6375 9.7524 10.5871 10.6452 11.5143 11.5190 12.0300 12.0329 k = 0.0932-0.1342 0.3467 ( 4066 PWs) bands (ev): -16.2111 -16.2099 -15.3707 -15.3703 -14.0917 -14.0853 -13.8869 -13.8868 -13.5536 -13.5529 -13.5258 -13.5228 -5.2483 -5.2479 -4.8566 -4.8544 -3.0596 -3.0541 -3.0127 -2.9646 -2.4395 -2.4388 -1.0824 -1.0416 -0.5287 -0.5111 -0.1152 -0.0391 0.4924 0.5394 0.7367 0.7424 1.2026 1.2675 1.5382 1.5826 2.3262 2.3294 2.5031 2.5077 2.7179 2.7193 2.9476 2.9485 3.1550 3.1609 3.3052 3.3107 3.4850 3.4870 7.6540 7.9508 9.6349 9.7422 10.5817 10.6341 11.5038 11.5077 12.0415 12.0442 k = 0.0855-0.1230 0.3467 ( 4062 PWs) bands (ev): -16.2194 -16.2183 -15.3764 -15.3761 -14.0793 -14.0732 -13.8803 -13.8802 -13.5524 -13.5518 -13.5269 -13.5241 -5.2316 -5.2312 -4.8621 -4.8602 -3.0674 -3.0631 -3.0115 -2.9655 -2.4508 -2.4500 -1.0728 -1.0346 -0.5138 -0.4967 -0.1165 -0.0431 0.5044 0.5469 0.7176 0.7245 1.1990 1.2571 1.5358 1.5789 2.3258 2.3288 2.5064 2.5103 2.7137 2.7144 2.9495 2.9510 3.1504 3.1563 3.3064 3.3118 3.4910 3.4927 7.6437 7.9173 9.6328 9.7322 10.5765 10.6236 11.4934 11.4965 12.0525 12.0551 k = 0.0777-0.1119 0.3467 ( 4058 PWs) bands (ev): -16.2270 -16.2260 -15.3818 -15.3814 -14.0676 -14.0619 -13.8741 -13.8740 -13.5514 -13.5509 -13.5281 -13.5254 -5.2160 -5.2157 -4.8670 -4.8655 -3.0750 -3.0715 -3.0098 -2.9665 -2.4611 -2.4603 -1.0637 -1.0281 -0.4981 -0.4814 -0.1178 -0.0480 0.5154 0.5536 0.6951 0.7032 1.1987 1.2504 1.5342 1.5753 2.3254 2.3282 2.5082 2.5114 2.7109 2.7110 2.9514 2.9534 3.1461 3.1518 3.3076 3.3127 3.4967 3.4982 7.6349 7.8850 9.6311 9.7225 10.5718 10.6138 11.4833 11.4857 12.0630 12.0654 k = 0.0699-0.1007 0.3467 ( 4054 PWs) bands (ev): -16.2339 -16.2330 -15.3866 -15.3863 -14.0568 -14.0514 -13.8684 -13.8683 -13.5505 -13.5502 -13.5293 -13.5268 -5.2016 -5.2013 -4.8716 -4.8702 -3.0821 -3.0793 -3.0078 -2.9678 -2.4704 -2.4697 -1.0550 -1.0221 -0.4815 -0.4655 -0.1189 -0.0537 0.5251 0.5588 0.6708 0.6796 1.2010 1.2467 1.5335 1.5718 2.3251 2.3277 2.5087 2.5112 2.7090 2.7095 2.9534 2.9558 3.1420 3.1475 3.3086 3.3136 3.5020 3.5033 7.6278 7.8540 9.6300 9.7130 10.5676 10.6046 11.4736 11.4754 12.0729 12.0751 k = 0.0622-0.0895 0.3467 ( 4056 PWs) bands (ev): -16.2401 -16.2393 -15.3910 -15.3907 -14.0469 -14.0420 -13.8632 -13.8631 -13.5497 -13.5496 -13.5305 -13.5282 -5.1885 -5.1882 -4.8756 -4.8745 -3.0888 -3.0864 -3.0056 -2.9692 -2.4788 -2.4782 -1.0467 -1.0169 -0.4645 -0.4493 -0.1199 -0.0599 0.5326 0.5617 0.6468 0.6555 1.2052 1.2452 1.5334 1.5684 2.3249 2.3272 2.5081 2.5100 2.7082 2.7091 2.9553 2.9580 3.1383 3.1435 3.3096 3.3142 3.5069 3.5081 7.6226 7.8245 9.6294 9.7038 10.5638 10.5963 11.4645 11.4658 12.0821 12.0841 k = 0.0544-0.0783 0.3467 ( 4058 PWs) bands (ev): -16.2456 -16.2449 -15.3949 -15.3947 -14.0380 -14.0335 -13.8586 -13.8585 -13.5491 -13.5491 -13.5316 -13.5296 -5.1767 -5.1764 -4.8792 -4.8783 -3.0948 -3.0928 -3.0032 -2.9707 -2.4862 -2.4857 -1.0390 -1.0124 -0.4474 -0.4332 -0.1204 -0.0664 0.5369 0.5600 0.6264 0.6332 1.2106 1.2452 1.5338 1.5651 2.3247 2.3267 2.5067 2.5081 2.7083 2.7095 2.9573 2.9600 3.1350 3.1398 3.3106 3.3148 3.5114 3.5124 7.6192 7.7966 9.6294 9.6950 10.5606 10.5886 11.4561 11.4570 12.0905 12.0923 k = 0.0466-0.0671 0.3467 ( 4066 PWs) bands (ev): -16.2504 -16.2498 -15.3983 -15.3981 -14.0301 -14.0261 -13.8545 -13.8544 -13.5487 -13.5486 -13.5326 -13.5309 -5.1663 -5.1661 -4.8823 -4.8816 -3.1001 -3.0985 -3.0007 -2.9724 -2.4927 -2.4922 -1.0319 -1.0086 -0.4306 -0.4177 -0.1204 -0.0731 0.5360 0.5511 0.6132 0.6155 1.2166 1.2460 1.5347 1.5620 2.3245 2.3262 2.5048 2.5058 2.7091 2.7104 2.9591 2.9619 3.1320 3.1364 3.3114 3.3152 3.5154 3.5163 7.6178 7.7704 9.6300 9.6866 10.5580 10.5817 11.4486 11.4492 12.0981 12.0996 k = 0.0388-0.0559 0.3467 ( 4060 PWs) bands (ev): -16.2544 -16.2539 -15.4012 -15.4010 -14.0232 -14.0199 -13.8509 -13.8508 -13.5484 -13.5483 -13.5335 -13.5321 -5.1574 -5.1572 -4.8849 -4.8843 -3.1047 -3.1034 -2.9981 -2.9742 -2.4982 -2.4977 -1.0254 -1.0057 -0.4147 -0.4032 -0.1199 -0.0797 0.5284 0.5358 0.6052 0.6077 1.2228 1.2471 1.5360 1.5590 2.3244 2.3258 2.5027 2.5033 2.7103 2.7115 2.9608 2.9634 3.1296 3.1334 3.3122 3.3154 3.5189 3.5196 7.6185 7.7460 9.6313 9.6787 10.5561 10.5756 11.4421 11.4425 12.1047 12.1060 k = 0.0311-0.0447 0.3467 ( 4058 PWs) bands (ev): -16.2577 -16.2573 -15.4036 -15.4035 -14.0175 -14.0147 -13.8480 -13.8479 -13.5482 -13.5480 -13.5342 -13.5331 -5.1500 -5.1499 -4.8871 -4.8866 -3.1084 -3.1074 -2.9955 -2.9762 -2.5027 -2.5023 -1.0196 -1.0037 -0.4002 -0.3905 -0.1188 -0.0862 0.5159 0.5184 0.6014 0.6062 1.2288 1.2482 1.5376 1.5561 2.3243 2.3255 2.5006 2.5010 2.7115 2.7127 2.9624 2.9647 3.1276 3.1308 3.3130 3.3156 3.5218 3.5224 7.6213 7.7236 9.6332 9.6712 10.5548 10.5703 11.4366 11.4368 12.1103 12.1113 k = 0.0233-0.0336 0.3467 ( 4056 PWs) bands (ev): -16.2603 -16.2600 -15.4055 -15.4053 -14.0129 -14.0108 -13.8457 -13.8457 -13.5480 -13.5478 -13.5348 -13.5340 -5.1442 -5.1441 -4.8887 -4.8884 -3.1114 -3.1107 -2.9929 -2.9783 -2.5062 -2.5059 -1.0146 -1.0025 -0.3877 -0.3800 -0.1171 -0.0924 0.5024 0.5026 0.6013 0.6060 1.2342 1.2487 1.5395 1.5534 2.3243 2.3252 2.4987 2.4990 2.7128 2.7137 2.9638 2.9656 3.1261 3.1286 3.3136 3.3156 3.5242 3.5246 7.6264 7.7032 9.6357 9.6643 10.5542 10.5657 11.4323 11.4324 12.1147 12.1155 k = 0.0155-0.0224 0.3467 ( 4056 PWs) bands (ev): -16.2621 -16.2619 -15.4068 -15.4067 -14.0094 -14.0080 -13.8441 -13.8440 -13.5479 -13.5477 -13.5352 -13.5347 -5.1400 -5.1400 -4.8899 -4.8897 -3.1135 -3.1130 -2.9903 -2.9805 -2.5086 -2.5084 -1.0104 -1.0023 -0.3778 -0.3725 -0.1146 -0.0981 0.4904 0.4908 0.6025 0.6061 1.2390 1.2486 1.5415 1.5508 2.3243 2.3249 2.4973 2.4974 2.7138 2.7145 2.9649 2.9662 3.1252 3.1269 3.3142 3.3155 3.5259 3.5261 7.6336 7.6849 9.6388 9.6580 10.5542 10.5619 11.4291 11.4292 12.1179 12.1185 k = 0.0078-0.0112 0.3467 ( 4054 PWs) bands (ev): -16.2632 -16.2631 -15.4076 -15.4075 -14.0072 -14.0065 -13.8431 -13.8430 -13.5478 -13.5477 -13.5354 -13.5351 -5.1375 -5.1375 -4.8906 -4.8905 -3.1147 -3.1145 -2.9877 -2.9828 -2.5101 -2.5100 -1.0071 -1.0030 -0.3711 -0.3684 -0.1115 -0.1032 0.4828 0.4832 0.6039 0.6058 1.2428 1.2476 1.5436 1.5483 2.3244 2.3247 2.4964 2.4964 2.7146 2.7149 2.9657 2.9664 3.1248 3.1257 3.3146 3.3153 3.5269 3.5271 7.6431 7.6687 9.6427 9.6523 10.5550 10.5589 11.4273 11.4273 12.1200 12.1202 k = 0.0000 0.0000 0.3467 ( 4066 PWs) bands (ev): -16.2635 -16.2635 -15.4078 -15.4078 -14.0063 -14.0063 -13.8427 -13.8427 -13.5477 -13.5477 -13.5354 -13.5354 -5.1367 -5.1367 -4.8908 -4.8908 -3.1151 -3.1151 -2.9852 -2.9852 -2.5106 -2.5106 -1.0046 -1.0046 -0.3679 -0.3679 -0.1077 -0.1077 0.4804 0.4804 0.6051 0.6051 1.2457 1.2457 1.5459 1.5459 2.3245 2.3245 2.4961 2.4961 2.7149 2.7149 2.9662 2.9662 3.1250 3.1250 3.3150 3.3150 3.5273 3.5273 7.6548 7.6548 9.6471 9.6471 10.5566 10.5566 11.4266 11.4266 12.1207 12.1207 k = 0.0000 0.0000 0.3467 ( 4066 PWs) bands (ev): -16.2635 -16.2635 -15.4078 -15.4078 -14.0063 -14.0063 -13.8427 -13.8427 -13.5477 -13.5477 -13.5354 -13.5354 -5.1367 -5.1367 -4.8908 -4.8908 -3.1151 -3.1151 -2.9852 -2.9852 -2.5106 -2.5106 -1.0046 -1.0046 -0.3679 -0.3679 -0.1077 -0.1077 0.4804 0.4804 0.6051 0.6051 1.2457 1.2457 1.5459 1.5459 2.3245 2.3245 2.4961 2.4961 2.7149 2.7149 2.9662 2.9662 3.1250 3.1250 3.3150 3.3150 3.5273 3.5273 7.6548 7.6548 9.6471 9.6471 10.5566 10.5566 11.4266 11.4266 12.1207 12.1207 k = 0.0112 0.0078 0.3467 ( 4056 PWs) bands (ev): -16.2629 -16.2629 -15.4078 -15.4071 -14.0070 -14.0067 -13.8431 -13.8427 -13.5570 -13.5505 -13.5328 -13.5269 -5.1393 -5.1372 -4.8901 -4.8901 -3.1169 -3.1128 -2.9845 -2.9810 -2.5134 -2.5087 -1.0087 -1.0037 -0.3791 -0.3607 -0.1143 -0.0988 0.4689 0.4917 0.5948 0.6187 1.2441 1.2493 1.5464 1.5494 2.3231 2.3239 2.4957 2.4959 2.7114 2.7129 2.9654 2.9672 3.1217 3.1266 3.3125 3.3198 3.5270 3.5273 7.6444 7.6677 9.6323 9.6626 10.5499 10.5633 11.4268 11.4282 12.1170 12.1258 k = 0.0224 0.0156 0.3467 ( 4059 PWs) bands (ev): -16.2612 -16.2611 -15.4070 -15.4057 -14.0088 -14.0083 -13.8439 -13.8432 -13.5683 -13.5609 -13.5237 -13.5177 -5.1450 -5.1409 -4.8882 -4.8881 -3.1179 -3.1102 -2.9786 -2.9721 -2.5171 -2.5079 -1.0161 -1.0062 -0.3936 -0.3580 -0.1180 -0.0881 0.4581 0.5013 0.5892 0.6345 1.2446 1.2548 1.5508 1.5568 2.3197 2.3214 2.4947 2.4951 2.7024 2.7053 2.9646 2.9681 3.1171 3.1266 3.3124 3.3267 3.5263 3.5269 7.6365 7.6829 9.6180 9.6787 10.5433 10.5703 11.4286 11.4314 12.1146 12.1321 k = 0.0336 0.0234 0.3467 ( 4058 PWs) bands (ev): -16.2584 -16.2582 -15.4054 -15.4034 -14.0117 -14.0109 -13.8452 -13.8442 -13.5801 -13.5724 -13.5147 -13.5090 -5.1538 -5.1477 -4.8849 -4.8848 -3.1178 -3.1070 -2.9680 -2.9592 -2.5218 -2.5081 -1.0265 -1.0120 -0.4108 -0.3601 -0.1185 -0.0762 0.4482 0.5070 0.5903 0.6521 1.2473 1.2620 1.5591 1.5678 2.3144 2.3169 2.4928 2.4936 2.6885 2.6926 2.9638 2.9688 3.1114 3.1248 3.3146 3.3353 3.5254 3.5262 7.6311 7.7005 9.6043 9.6953 10.5365 10.5775 11.4321 11.4363 12.1135 12.1396 k = 0.0448 0.0311 0.3467 ( 4056 PWs) bands (ev): -16.2543 -16.2541 -15.4031 -15.4005 -14.0156 -14.0147 -13.8470 -13.8458 -13.5922 -13.5842 -13.5064 -13.5010 -5.1655 -5.1575 -4.8805 -4.8802 -3.1159 -3.1029 -2.9531 -2.9429 -2.5271 -2.5091 -1.0398 -1.0210 -0.4300 -0.3666 -0.1157 -0.0634 0.4392 0.5077 0.5988 0.6710 1.2522 1.2709 1.5711 1.5824 2.3072 2.3104 2.4897 2.4910 2.6707 2.6756 2.9628 2.9691 3.1050 3.1215 3.3188 3.3454 3.5241 3.5252 7.6282 7.7203 9.5913 9.7123 10.5296 10.5851 11.4374 11.4429 12.1136 12.1483 k = 0.0560 0.0389 0.3467 ( 4055 PWs) bands (ev): -16.2492 -16.2489 -15.4000 -15.3968 -14.0206 -14.0195 -13.8496 -13.8483 -13.6044 -13.5962 -13.4987 -13.4937 -5.1799 -5.1702 -4.8748 -4.8744 -3.1122 -3.0975 -2.9348 -2.9239 -2.5330 -2.5109 -1.0557 -1.0330 -0.4505 -0.3769 -0.1101 -0.0502 0.4310 0.5043 0.6133 0.6909 1.2593 1.2815 1.5867 1.6001 2.2980 2.3018 2.4847 2.4867 2.6498 2.6554 2.9614 2.9688 3.0979 3.1169 3.3249 3.3567 3.5227 3.5239 7.6277 7.7422 9.5789 9.7298 10.5225 10.5930 11.4443 11.4512 12.1148 12.1580 k = 0.0672 0.0467 0.3467 ( 4055 PWs) bands (ev): -16.2428 -16.2426 -15.3962 -15.3924 -14.0265 -14.0253 -13.8532 -13.8518 -13.6163 -13.6080 -13.4918 -13.4871 -5.1970 -5.1857 -4.8680 -4.8674 -3.1063 -3.0905 -2.9135 -2.9026 -2.5392 -2.5131 -1.0739 -1.0478 -0.4717 -0.3901 -0.1021 -0.0366 0.4235 0.4986 0.6316 0.7114 1.2687 1.2936 1.6054 1.6208 2.2865 2.2909 2.4775 2.4805 2.6271 2.6331 2.9595 2.9679 3.0906 3.1114 3.3324 3.3689 3.5210 3.5223 7.6296 7.7658 9.5671 9.7476 10.5150 10.6013 11.4531 11.4613 12.1172 12.1687 k = 0.0784 0.0545 0.3467 ( 4059 PWs) bands (ev): -16.2354 -16.2350 -15.3917 -15.3872 -14.0333 -14.0320 -13.8578 -13.8566 -13.6278 -13.6196 -13.4856 -13.4814 -5.2164 -5.2037 -4.8600 -4.8592 -3.0982 -3.0816 -2.8901 -2.8798 -2.5454 -2.5156 -1.0941 -1.0651 -0.4933 -0.4052 -0.0923 -0.0230 0.4164 0.4917 0.6521 0.7322 1.2802 1.3074 1.6269 1.6439 2.2724 2.2772 2.4677 2.4718 2.6040 2.6101 2.9569 2.9663 3.0832 3.1053 3.3410 3.3819 3.5193 3.5206 7.6337 7.7912 9.5561 9.7657 10.5071 10.6101 11.4636 11.4731 12.1205 12.1803 k = 0.0897 0.0623 0.3467 ( 4063 PWs) bands (ev): -16.2268 -16.2264 -15.3865 -15.3814 -14.0411 -14.0398 -13.8638 -13.8629 -13.6387 -13.6306 -13.4802 -13.4764 -5.2381 -5.2241 -4.8509 -4.8498 -3.0880 -3.0708 -2.8653 -2.8560 -2.5512 -2.5177 -1.1160 -1.0846 -0.5147 -0.4216 -0.0812 -0.0094 0.4095 0.4841 0.6737 0.7531 1.2937 1.3228 1.6505 1.6690 2.2549 2.2600 2.4552 2.4607 2.5815 2.5877 2.9538 2.9640 3.0761 3.0991 3.3502 3.3954 3.5174 3.5189 7.6400 7.8180 9.5458 9.7839 10.4989 10.6194 11.4759 11.4866 12.1247 12.1925 k = 0.1009 0.0701 0.3467 ( 4055 PWs) bands (ev): -16.2171 -16.2166 -15.3806 -15.3749 -14.0497 -14.0484 -13.8713 -13.8708 -13.6488 -13.6408 -13.4756 -13.4722 -5.2618 -5.2466 -4.8408 -4.8393 -3.0757 -3.0581 -2.8399 -2.8319 -2.5559 -2.5190 -1.1391 -1.1056 -0.5355 -0.4383 -0.0694 0.0038 0.4025 0.4762 0.6957 0.7738 1.3090 1.3399 1.6756 1.6956 2.2328 2.2384 2.4407 2.4479 2.5606 2.5668 2.9499 2.9606 3.0697 3.0933 3.3598 3.4093 3.5154 3.5176 7.6482 7.8460 9.5363 9.8022 10.4902 10.6291 11.4900 11.5019 12.1297 12.2053 k = 0.1121 0.0778 0.3467 ( 4057 PWs) bands (ev): -16.2063 -16.2058 -15.3740 -15.3677 -14.0593 -14.0581 -13.8804 -13.8804 -13.6578 -13.6501 -13.4718 -13.4687 -5.2874 -5.2712 -4.8295 -4.8277 -3.0615 -3.0437 -2.8152 -2.8079 -2.5589 -2.5186 -1.1631 -1.1279 -0.5555 -0.4551 -0.0573 0.0165 0.3955 0.4680 0.7176 0.7940 1.3261 1.3586 1.7015 1.7228 2.2053 2.2117 2.4253 2.4349 2.5414 2.5476 2.9451 2.9561 3.0645 3.0884 3.3694 3.4231 3.5136 3.5167 7.6581 7.8750 9.5276 9.8204 10.4812 10.6393 11.5059 11.5190 12.1352 12.2184 k = 0.1233 0.0856 0.3467 ( 4061 PWs) bands (ev): -16.1943 -16.1938 -15.3668 -15.3599 -14.0698 -14.0687 -13.8917 -13.8911 -13.6656 -13.6584 -13.4688 -13.4659 -5.3147 -5.2975 -4.8172 -4.8149 -3.0456 -3.0277 -2.7930 -2.7847 -2.5592 -2.5155 -1.1875 -1.1508 -0.5745 -0.4713 -0.0451 0.0284 0.3881 0.4597 0.7392 0.8136 1.3446 1.3789 1.7275 1.7498 2.1714 2.1793 2.4105 2.4238 2.5235 2.5297 2.9394 2.9500 3.0610 3.0849 3.3787 3.4366 3.5123 3.5166 7.6697 7.9047 9.5198 9.8384 10.4718 10.6498 11.5236 11.5379 12.1413 12.2316 k = 0.1345 0.0934 0.3467 ( 4057 PWs) bands (ev): -16.1813 -16.1807 -15.3589 -15.3515 -14.0814 -14.0805 -13.9045 -13.9033 -13.6724 -13.6656 -13.4665 -13.4639 -5.3435 -5.3255 -4.8038 -4.8011 -3.0285 -3.0104 -2.7746 -2.7633 -2.5553 -2.5085 -1.2118 -1.1739 -0.5922 -0.4866 -0.0332 0.0393 0.3804 0.4513 0.7599 0.8324 1.3644 1.4009 1.7525 1.7756 2.1317 2.1413 2.3974 2.4158 2.5065 2.5127 2.9326 2.9422 3.0596 3.0832 3.3873 3.4489 3.5119 3.5178 7.6827 7.9348 9.5130 9.8559 10.4622 10.6607 11.5430 11.5584 12.1477 12.2449 k = 0.1457 0.1012 0.3467 ( 4059 PWs) bands (ev): -16.1672 -16.1665 -15.3505 -15.3425 -14.0942 -14.0934 -13.9186 -13.9167 -13.6781 -13.6718 -13.4649 -13.4625 -5.3735 -5.3548 -4.7894 -4.7863 -3.0103 -2.9921 -2.7606 -2.7458 -2.5459 -2.4966 -1.2357 -1.1966 -0.6085 -0.5008 -0.0220 0.0490 0.3724 0.4431 0.7797 0.8500 1.3849 1.4243 1.7755 1.7987 2.0873 2.0983 2.3866 2.4115 2.4900 2.4964 2.9248 2.9327 3.0606 3.0838 3.3948 3.4590 3.5133 3.5210 7.6969 7.9651 9.5072 9.8729 10.4525 10.6719 11.5641 11.5807 12.1544 12.2579 k = 0.1569 0.1090 0.3467 ( 4062 PWs) bands (ev): -16.1520 -16.1513 -15.3414 -15.3330 -14.1083 -14.1078 -13.9337 -13.9312 -13.6829 -13.6770 -13.4641 -13.4617 -5.4047 -5.3855 -4.7739 -4.7704 -2.9915 -2.9731 -2.7512 -2.7336 -2.5297 -2.4792 -1.2586 -1.2183 -0.6233 -0.5136 -0.0116 0.0571 0.3639 0.4349 0.7983 0.8665 1.4059 1.4489 1.7950 1.8171 2.0406 2.0522 2.3777 2.4106 2.4744 2.4809 2.9162 2.9219 3.0639 3.0866 3.4010 3.4657 3.5170 3.5271 7.7120 7.9952 9.5027 9.8892 10.4428 10.6832 11.5869 11.6045 12.1611 12.2706 k = 0.1681 0.1168 0.3467 ( 4062 PWs) bands (ev): -16.1357 -16.1350 -15.3319 -15.3230 -14.1241 -14.1235 -13.9493 -13.9462 -13.6869 -13.6815 -13.4639 -13.4615 -5.4368 -5.4171 -4.7574 -4.7534 -2.9727 -2.9539 -2.7459 -2.7270 -2.5069 -2.4563 -1.2802 -1.2386 -0.6365 -0.5250 -0.0024 0.0635 0.3550 0.4271 0.8157 0.8817 1.4269 1.4745 1.8082 1.8265 1.9961 2.0063 2.3701 2.4118 2.4604 2.4665 2.9069 2.9108 3.0693 3.0915 3.4056 3.4687 3.5228 3.5368 7.7279 8.0248 9.4995 9.9047 10.4334 10.6947 11.6112 11.6299 12.1677 12.2829 k = 0.1793 0.1246 0.3467 ( 4066 PWs) bands (ev): -16.1184 -16.1176 -15.3218 -15.3124 -14.1416 -14.1409 -13.9650 -13.9615 -13.6903 -13.6853 -13.4644 -13.4619 -5.4697 -5.4496 -4.7400 -4.7355 -2.9542 -2.9349 -2.7440 -2.7252 -2.4780 -2.4285 -1.3000 -1.2569 -0.6481 -0.5348 0.0055 0.0681 0.3456 0.4195 0.8316 0.8953 1.4471 1.5005 1.8096 1.8194 1.9613 1.9672 2.3627 2.4120 2.4511 2.4540 2.8964 2.9013 3.0764 3.0982 3.4087 3.4689 3.5302 3.5499 7.7443 8.0538 9.4977 9.9190 10.4244 10.7062 11.6370 11.6567 12.1742 12.2945 k = 0.1905 0.1323 0.3467 ( 4069 PWs) bands (ev): -16.1001 -16.0993 -15.3113 -15.3015 -14.1611 -14.1601 -13.9805 -13.9766 -13.6933 -13.6887 -13.4656 -13.4628 -5.5032 -5.4829 -4.7215 -4.7166 -2.9366 -2.9164 -2.7445 -2.7270 -2.4443 -2.3965 -1.3176 -1.2729 -0.6579 -0.5429 0.0119 0.0705 0.3359 0.4122 0.8460 0.9074 1.4660 1.5260 1.7897 1.7913 1.9391 1.9475 2.3546 2.4059 2.4435 2.4520 2.8853 2.8940 3.0848 3.1065 3.4103 3.4675 3.5391 3.5651 7.7610 8.0817 9.4974 9.9322 10.4162 10.7176 11.6642 11.6849 12.1803 12.3054 k = 0.2017 0.1401 0.3467 ( 4072 PWs) bands (ev): -16.0808 -16.0799 -15.3004 -15.2902 -14.1826 -14.1812 -13.9953 -13.9912 -13.6959 -13.6917 -13.4674 -13.4643 -5.5371 -5.5166 -4.7021 -4.6967 -2.9205 -2.8991 -2.7466 -2.7312 -2.4069 -2.3610 -1.3326 -1.2862 -0.6661 -0.5493 0.0166 0.0708 0.3257 0.4052 0.8587 0.9178 1.4822 1.5497 1.7440 1.7526 1.9306 1.9426 2.3457 2.3945 2.4359 2.4610 2.8755 2.8889 3.0943 3.1160 3.4108 3.4654 3.5493 3.5817 7.7779 8.1082 9.4986 9.9440 10.4089 10.7289 11.6926 11.7142 12.1861 12.3155 k = 0.2129 0.1479 0.3467 ( 4070 PWs) bands (ev): -16.0605 -16.0596 -15.2891 -15.2785 -14.2062 -14.2043 -14.0092 -14.0051 -13.6983 -13.6945 -13.4697 -13.4662 -5.5713 -5.5508 -4.6817 -4.6759 -2.9063 -2.8833 -2.7497 -2.7367 -2.3665 -2.3227 -1.3448 -1.2965 -0.6726 -0.5539 0.0194 0.0689 0.3151 0.3985 0.8695 0.9261 1.4938 1.5681 1.6938 1.7042 1.9299 1.9413 2.3363 2.3815 2.4305 2.4746 2.8677 2.8864 3.1044 3.1262 3.4106 3.4630 3.5606 3.5993 7.7946 8.1333 9.5015 9.9544 10.4028 10.7399 11.7221 11.7445 12.1914 12.3248 k = 0.2241 0.1557 0.3467 ( 4072 PWs) bands (ev): -16.0392 -16.0383 -15.2775 -15.2666 -14.2317 -14.2294 -14.0221 -14.0180 -13.7007 -13.6972 -13.4725 -13.4687 -5.6056 -5.5851 -4.6605 -4.6542 -2.8946 -2.8694 -2.7535 -2.7427 -2.3236 -2.2819 -1.3539 -1.3035 -0.6775 -0.5569 0.0203 0.0648 0.3042 0.3920 0.8782 0.9322 1.4960 1.5717 1.6458 1.6646 1.9306 1.9391 2.3276 2.3685 2.4266 2.4905 2.8629 2.8869 3.1150 3.1367 3.4100 3.4606 3.5728 3.6174 7.8111 8.1565 9.5061 9.9633 10.3981 10.7505 11.7525 11.7757 12.1962 12.3331 k = 0.2353 0.1635 0.3467 ( 4075 PWs) bands (ev): -16.0171 -16.0160 -15.2656 -15.2544 -14.2590 -14.2563 -14.0340 -14.0300 -13.7030 -13.6999 -13.4757 -13.4716 -5.6400 -5.6196 -4.6384 -4.6317 -2.8854 -2.8578 -2.7580 -2.7481 -2.2786 -2.2389 -1.3598 -1.3071 -0.6806 -0.5581 0.0191 0.0586 0.2929 0.3856 0.8844 0.9355 1.4801 1.5455 1.6077 1.6551 1.9300 1.9342 2.3206 2.3561 2.4242 2.5079 2.8616 2.8907 3.1255 3.1473 3.4094 3.4585 3.5857 3.6361 7.8271 8.1777 9.5122 9.9706 10.3951 10.7608 11.7836 11.8075 12.2003 12.3406 k = 0.2466 0.1713 0.3467 ( 4077 PWs) bands (ev): -15.9940 -15.9929 -15.2536 -15.2421 -14.2881 -14.2850 -14.0448 -14.0409 -13.7054 -13.7026 -13.4795 -13.4749 -5.6742 -5.6540 -4.6154 -4.6084 -2.8790 -2.8490 -2.7633 -2.7523 -2.2317 -2.1939 -1.3623 -1.3072 -0.6822 -0.5577 0.0157 0.0502 0.2815 0.3792 0.8873 0.9353 1.4428 1.4980 1.5907 1.6619 1.9258 1.9268 2.3155 2.3444 2.4235 2.5265 2.8642 2.8976 3.1359 3.1575 3.4092 3.4569 3.5991 3.6551 7.8425 8.1967 9.5199 9.9763 10.3938 10.7705 11.8152 11.8396 12.2039 12.3471 k = 0.2578 0.1790 0.3467 ( 4083 PWs) bands (ev): -15.9700 -15.9689 -15.2413 -15.2297 -14.3186 -14.3151 -14.0545 -14.0509 -13.7079 -13.7055 -13.4836 -13.4786 -5.7081 -5.6882 -4.5917 -4.5843 -2.8754 -2.8432 -2.7688 -2.7556 -2.1831 -2.1472 -1.3615 -1.3040 -0.6822 -0.5557 0.0099 0.0398 0.2699 0.3729 0.8863 0.9306 1.3952 1.4448 1.5854 1.6699 1.9146 1.9207 2.3115 2.3337 2.4259 2.5461 2.8705 2.9074 3.1458 3.1670 3.4097 3.4560 3.6129 3.6743 7.8572 8.2132 9.5291 9.9805 10.3946 10.7797 11.8470 11.8720 12.2067 12.3527 k = 0.2690 0.1868 0.3467 ( 4080 PWs) bands (ev): -15.9452 -15.9440 -15.2291 -15.2172 -14.3503 -14.3465 -14.0633 -14.0599 -13.7106 -13.7085 -13.4880 -13.4827 -5.7416 -5.7220 -4.5671 -4.5594 -2.8741 -2.8407 -2.7740 -2.7583 -2.1329 -2.0989 -1.3574 -1.2975 -0.6807 -0.5521 0.0017 0.0274 0.2583 0.3665 0.8802 0.9202 1.3471 1.3933 1.5818 1.6740 1.9009 1.9126 2.3067 2.3241 2.4331 2.5669 2.8803 2.9197 3.1549 3.1754 3.4112 3.4559 3.6270 3.6937 7.8712 8.2273 9.5395 9.9833 10.3974 10.7883 11.8787 11.9043 12.2090 12.3574 k = 0.2802 0.1946 0.3467 ( 4083 PWs) bands (ev): -15.9196 -15.9183 -15.2168 -15.2049 -14.3831 -14.3790 -14.0711 -14.0679 -13.7135 -13.7116 -13.4928 -13.4871 -5.7746 -5.7554 -4.5419 -4.5340 -2.8750 -2.8412 -2.7784 -2.7609 -2.0815 -2.0493 -1.3502 -1.2880 -0.6778 -0.5470 -0.0090 0.0129 0.2469 0.3599 0.8679 0.9030 1.3034 1.3466 1.5760 1.6720 1.8862 1.9032 2.2995 2.3158 2.4466 2.5890 2.8931 2.9338 3.1630 3.1825 3.4140 3.4568 3.6413 3.7132 7.8842 8.2387 9.5511 9.9848 10.4023 10.7962 11.9101 11.9364 12.2106 12.3611 k = 0.2914 0.2024 0.3467 ( 4086 PWs) bands (ev): -15.8932 -15.8919 -15.2046 -15.1927 -14.4167 -14.4124 -14.0780 -14.0751 -13.7166 -13.7149 -13.4979 -13.4918 -5.8069 -5.7882 -4.5160 -4.5080 -2.8777 -2.8444 -2.7822 -2.7636 -2.0290 -1.9985 -1.3400 -1.2757 -0.6736 -0.5406 -0.0224 -0.0037 0.2358 0.3532 0.8484 0.8782 1.2668 1.3065 1.5662 1.6626 1.8718 1.8938 2.2902 2.3080 2.4666 2.6126 2.9082 2.9493 3.1699 3.1880 3.4182 3.4587 3.6557 3.7326 7.8964 8.2475 9.5635 9.9851 10.4094 10.8034 11.9409 11.9679 12.2115 12.3640 k = 0.3026 0.2102 0.3467 ( 4082 PWs) bands (ev): -15.8661 -15.8648 -15.1927 -15.1808 -14.4509 -14.4464 -14.0841 -14.0814 -13.7200 -13.7184 -13.5032 -13.4968 -5.8385 -5.8203 -4.4896 -4.4814 -2.8820 -2.8498 -2.7855 -2.7664 -1.9757 -1.9468 -1.3272 -1.2610 -0.6681 -0.5328 -0.0384 -0.0225 0.2250 0.3463 0.8214 0.8460 1.2382 1.2741 1.5518 1.6453 1.8588 1.8853 2.2801 2.2999 2.4924 2.6376 2.9247 2.9656 3.1756 3.1918 3.4239 3.4616 3.6701 3.7519 7.9077 8.2536 9.5767 9.9843 10.4186 10.8100 11.9706 11.9987 12.2120 12.3662 k = 0.3138 0.2180 0.3467 ( 4082 PWs) bands (ev): -15.8383 -15.8370 -15.1810 -15.1693 -14.4854 -14.4809 -14.0894 -14.0869 -13.7238 -13.7221 -13.5088 -13.5020 -5.8692 -5.8515 -4.4626 -4.4545 -2.8877 -2.8570 -2.7885 -2.7692 -1.9218 -1.8945 -1.3121 -1.2443 -0.6615 -0.5239 -0.0573 -0.0434 0.2146 0.3390 0.7878 0.8078 1.2172 1.2490 1.5325 1.6204 1.8477 1.8784 2.2702 2.2914 2.5226 2.6638 2.9422 2.9822 3.1799 3.1939 3.4311 3.4657 3.6846 3.7710 7.9180 8.2570 9.5904 9.9825 10.4300 10.8157 11.9991 12.0285 12.2119 12.3675 k = 0.3250 0.2258 0.3467 ( 4087 PWs) bands (ev): -15.8100 -15.8086 -15.1698 -15.1583 -14.5201 -14.5156 -14.0940 -14.0915 -13.7278 -13.7260 -13.5145 -13.5075 -5.8988 -5.8818 -4.4352 -4.4272 -2.8946 -2.8654 -2.7913 -2.7720 -1.8676 -1.8418 -1.2949 -1.2258 -0.6539 -0.5139 -0.0794 -0.0661 0.2043 0.3311 0.7491 0.7659 1.2024 1.2301 1.5085 1.5892 1.8384 1.8732 2.2610 2.2832 2.5558 2.6908 2.9599 2.9987 3.1829 3.1944 3.4396 3.4707 3.6992 3.7897 7.9276 8.2576 9.6044 9.9797 10.4435 10.8207 12.0258 12.0569 12.2114 12.3681 k = 0.3362 0.2335 0.3467 ( 4084 PWs) bands (ev): -15.7812 -15.7797 -15.1591 -15.1479 -14.5547 -14.5503 -14.0978 -14.0954 -13.7322 -13.7301 -13.5204 -13.5132 -5.9274 -5.9110 -4.4075 -4.3998 -2.9027 -2.8749 -2.7938 -2.7744 -1.8134 -1.7892 -1.2762 -1.2062 -0.6454 -0.5029 -0.1050 -0.0899 0.1938 0.3220 0.7079 0.7226 1.1920 1.2159 1.4804 1.5533 1.8308 1.8696 2.2530 2.2757 2.5909 2.7182 2.9774 3.0148 3.1845 3.1934 3.4491 3.4766 3.7138 3.8080 7.9364 8.2557 9.6186 9.9760 10.4590 10.8250 12.0507 12.0838 12.2106 12.3682 k = 0.3474 0.2413 0.3467 ( 4081 PWs) bands (ev): -15.7519 -15.7504 -15.1491 -15.1384 -14.5890 -14.5847 -14.1008 -14.0984 -13.7368 -13.7344 -13.5264 -13.5190 -5.9547 -5.9391 -4.3796 -4.3723 -2.9118 -2.8854 -2.7957 -2.7763 -1.7597 -1.7371 -1.2563 -1.1857 -0.6362 -0.4910 -0.1343 -0.1147 0.1826 0.3113 0.6667 0.6803 1.1844 1.2044 1.4491 1.5144 1.8245 1.8673 2.2465 2.2694 2.6268 2.7457 2.9943 3.0301 3.1850 3.1914 3.4593 3.4832 3.7286 3.8257 7.9445 8.2512 9.6329 9.9713 10.4765 10.8285 12.0732 12.1086 12.2099 12.3679 k = 0.3586 0.2491 0.3467 ( 4086 PWs) bands (ev): -15.7223 -15.7208 -15.1400 -15.1299 -14.6226 -14.6185 -14.1031 -14.1006 -13.7416 -13.7389 -13.5324 -13.5249 -5.9808 -5.9659 -4.3517 -4.3448 -2.9219 -2.8967 -2.7967 -2.7774 -1.7069 -1.6859 -1.2356 -1.1648 -0.6263 -0.4783 -0.1667 -0.1405 0.1701 0.2979 0.6281 0.6413 1.1779 1.1941 1.4158 1.4742 1.8195 1.8660 2.2418 2.2644 2.6627 2.7727 3.0103 3.0445 3.1843 3.1884 3.4699 3.4902 3.7434 3.8428 7.9521 8.2442 9.6471 9.9656 10.4957 10.8312 12.0931 12.1306 12.2098 12.3674 k = 0.3698 0.2569 0.3467 ( 4091 PWs) bands (ev): -15.6925 -15.6909 -15.1320 -15.1226 -14.6552 -14.6515 -14.1048 -14.1020 -13.7467 -13.7437 -13.5385 -13.5310 -6.0054 -5.9913 -4.3238 -4.3175 -2.9328 -2.9087 -2.7968 -2.7775 -1.6554 -1.6361 -1.2144 -1.1439 -0.6159 -0.4649 -0.2017 -0.1673 0.1558 0.2808 0.5945 0.6073 1.1708 1.1831 1.3821 1.4344 1.8158 1.8654 2.2390 2.2611 2.6979 2.7988 3.0251 3.0579 3.1825 3.1849 3.4804 3.4973 3.7586 3.8591 7.9593 8.2349 9.6614 9.9590 10.5165 10.8330 12.1100 12.1485 12.2116 12.3669 k = 0.3810 0.2647 0.3467 ( 4089 PWs) bands (ev): -15.6627 -15.6611 -15.1252 -15.1167 -14.6864 -14.6832 -14.1056 -14.1027 -13.7520 -13.7487 -13.5446 -13.5371 -6.0285 -6.0152 -4.2961 -4.2907 -2.9443 -2.9213 -2.7957 -2.7765 -1.6058 -1.5882 -1.1933 -1.1236 -0.6051 -0.4509 -0.2386 -0.1950 0.1389 0.2590 0.5675 0.5798 1.1613 1.1697 1.3500 1.3969 1.8132 1.8657 2.2381 2.2595 2.7317 2.8237 3.0386 3.0701 3.1793 3.1816 3.4905 3.5043 3.7740 3.8746 7.9661 8.2234 9.6755 9.9514 10.5387 10.8340 12.1237 12.1604 12.2170 12.3669 k = 0.3922 0.2725 0.3467 ( 4096 PWs) bands (ev): -15.6331 -15.6315 -15.1200 -15.1126 -14.7158 -14.7133 -14.1058 -14.1026 -13.7574 -13.7538 -13.5507 -13.5432 -6.0501 -6.0376 -4.2690 -4.2645 -2.9564 -2.9343 -2.7932 -2.7743 -1.5587 -1.5429 -1.1724 -1.1041 -0.5939 -0.4364 -0.2768 -0.2232 0.1193 0.2324 0.5481 0.5599 1.1470 1.1517 1.3221 1.3641 1.8118 1.8667 2.2392 2.2597 2.7636 2.8470 3.0507 3.0810 3.1751 3.1784 3.4998 3.5109 3.7899 3.8892 7.9727 8.2100 9.6897 9.9428 10.5620 10.8341 12.1338 12.1655 12.2268 12.3675 k = 0.4034 0.2802 0.3467 ( 4097 PWs) bands (ev): -15.6039 -15.6023 -15.1165 -15.1104 -14.7429 -14.7412 -14.1053 -14.1017 -13.7631 -13.7591 -13.5566 -13.5494 -6.0699 -6.0583 -4.2425 -4.2390 -2.9688 -2.9477 -2.7892 -2.7706 -1.5148 -1.5009 -1.1523 -1.0860 -0.5825 -0.4214 -0.3153 -0.2517 0.0968 0.2015 0.5362 0.5481 1.1259 1.1277 1.3007 1.3379 1.8119 1.8686 2.2422 2.2617 2.7933 2.8684 3.0611 3.0905 3.1706 3.1750 3.5079 3.5168 3.8062 3.9027 7.9793 8.1948 9.7037 9.9332 10.5860 10.8333 12.1399 12.1655 12.2395 12.3692 k = 0.4147 0.2880 0.3467 ( 4098 PWs) bands (ev): -15.5757 -15.5740 -15.1148 -15.1102 -14.7672 -14.7664 -14.1040 -14.1001 -13.7688 -13.7646 -13.5624 -13.5555 -6.0880 -6.0772 -4.2170 -4.2146 -2.9813 -2.9611 -2.7837 -2.7654 -1.4749 -1.4628 -1.1333 -1.0698 -0.5709 -0.4064 -0.3527 -0.2798 0.0718 0.1674 0.5313 0.5441 1.0972 1.0974 1.2867 1.3191 1.8134 1.8715 2.2469 2.2655 2.8203 2.8877 3.0697 3.0988 3.1662 3.1712 3.5145 3.5218 3.8229 3.9151 7.9859 8.1781 9.7178 9.9228 10.6105 10.8314 12.1419 12.1625 12.2530 12.3720 k = 0.4259 0.2958 0.3467 ( 4100 PWs) bands (ev): -15.5487 -15.5471 -15.1149 -15.1120 -14.7889 -14.7881 -14.1021 -14.0978 -13.7747 -13.7703 -13.5681 -13.5615 -6.1042 -6.0942 -4.1926 -4.1915 -2.9939 -2.9744 -2.7765 -2.7585 -1.4396 -1.4295 -1.1157 -1.0559 -0.5594 -0.3995 -0.3799 -0.3072 0.0450 0.1314 0.5326 0.5471 1.0614 1.0625 1.2792 1.3072 1.8167 1.8756 2.2533 2.2709 2.8446 2.9046 3.0766 3.1058 3.1622 3.1672 3.5193 3.5255 3.8401 3.9263 7.9926 8.1603 9.7317 9.9117 10.6351 10.8284 12.1401 12.1575 12.2662 12.3760 k = 0.4371 0.3036 0.3467 ( 4100 PWs) bands (ev): -15.5238 -15.5223 -15.1166 -15.1153 -14.8076 -14.8058 -14.0996 -14.0950 -13.7806 -13.7760 -13.5735 -13.5674 -6.1185 -6.1094 -4.1703 -4.1696 -3.0062 -2.9875 -2.7676 -2.7499 -1.4100 -1.4018 -1.0998 -1.0448 -0.5484 -0.4265 -0.3695 -0.3332 0.0168 0.0949 0.5398 0.5559 1.0221 1.0236 1.2766 1.3006 1.8217 1.8811 2.2612 2.2779 2.8658 2.9189 3.0816 3.1115 3.1585 3.1630 3.5221 3.5278 3.8575 3.9362 7.9994 8.1416 9.7456 9.9001 10.6595 10.8242 12.1351 12.1507 12.2787 12.3811 k = 0.4483 0.3114 0.3467 ( 4105 PWs) bands (ev): -15.5019 -15.5004 -15.1195 -15.1189 -14.8228 -14.8198 -14.0964 -14.0915 -13.7866 -13.7818 -13.5786 -13.5731 -6.1308 -6.1225 -4.1505 -4.1487 -3.0182 -3.0002 -2.7568 -2.7393 -1.3867 -1.3803 -1.0858 -1.0369 -0.5391 -0.4538 -0.3578 -0.3524 -0.0118 0.0586 0.5523 0.5698 0.9808 0.9825 1.2775 1.2981 1.8288 1.8882 2.2704 2.2862 2.8839 2.9305 3.0848 3.1159 3.1554 3.1586 3.5228 3.5285 3.8749 3.9448 8.0064 8.1224 9.7591 9.8881 10.6834 10.8188 12.1276 12.1419 12.2903 12.3870 k = 0.4595 0.3192 0.3467 ( 4107 PWs) bands (ev): -15.4840 -15.4827 -15.1230 -15.1211 -14.8344 -14.8304 -14.0927 -14.0875 -13.7925 -13.7877 -13.5835 -13.5786 -6.1411 -6.1336 -4.1331 -4.1298 -3.0296 -3.0124 -2.7442 -2.7266 -1.3708 -1.3655 -1.0738 -1.0325 -0.5351 -0.4720 -0.3796 -0.3348 -0.0404 0.0234 0.5695 0.5880 0.9387 0.9407 1.2810 1.2986 1.8380 1.8970 2.2807 2.2959 2.8989 2.9393 3.0863 3.1192 3.1526 3.1541 3.5212 3.5274 3.8920 3.9518 8.0132 8.1034 9.7721 9.8763 10.7064 10.8120 12.1183 12.1312 12.3009 12.3935 k = 0.5000 0.3473-0.1682 ( 4090 PWs) bands (ev): -15.4433 -15.4433 -15.1658 -15.1658 -14.8296 -14.8296 -14.0609 -14.0609 -13.8297 -13.8297 -13.5650 -13.5650 -6.3204 -6.3204 -3.8064 -3.8064 -2.9215 -2.9215 -2.8024 -2.8024 -1.5139 -1.5139 -0.9031 -0.9031 -0.5828 -0.5828 -0.4982 -0.4982 -0.1819 -0.1819 0.7157 0.7157 0.9593 0.9593 1.3730 1.3730 1.7894 1.7894 2.3231 2.3231 2.8690 2.8690 3.0317 3.0317 3.1803 3.1803 3.6298 3.6298 3.9357 3.9357 8.0346 8.0346 9.8125 9.8125 10.8401 10.8401 12.1021 12.1021 12.4171 12.4171 k = 0.5075 0.3365-0.1682 ( 4086 PWs) bands (ev): -15.4443 -15.4442 -15.1658 -15.1654 -14.8288 -14.8287 -14.0609 -14.0607 -13.8298 -13.8297 -13.5651 -13.5648 -6.3198 -6.3198 -3.8080 -3.8079 -2.9217 -2.9216 -2.8011 -2.8011 -1.5195 -1.5125 -0.9156 -0.8912 -0.5976 -0.5673 -0.4981 -0.4977 -0.1814 -0.1803 0.7160 0.7161 0.9579 0.9596 1.3744 1.3749 1.7893 1.7899 2.3236 2.3237 2.8673 2.8702 3.0300 3.0338 3.1798 3.1800 3.6290 3.6299 3.9351 3.9353 8.0280 8.0423 9.8127 9.8128 10.8346 10.8436 12.0982 12.1054 12.4149 12.4150 k = 0.5150 0.3257-0.1682 ( 4090 PWs) bands (ev): -15.4472 -15.4471 -15.1656 -15.1648 -14.8264 -14.8262 -14.0606 -14.0602 -13.8302 -13.8300 -13.5650 -13.5643 -6.3181 -6.3180 -3.8127 -3.8126 -2.9224 -2.9223 -2.7974 -2.7974 -1.5291 -1.5152 -0.9286 -0.8806 -0.6107 -0.5533 -0.4980 -0.4949 -0.1786 -0.1766 0.7170 0.7172 0.9554 0.9587 1.3790 1.3801 1.7897 1.7909 2.3255 2.3257 2.8653 2.8710 3.0289 3.0364 3.1785 3.1790 3.6276 3.6292 3.9335 3.9338 8.0227 8.0514 9.8133 9.8134 10.8270 10.8449 12.0938 12.1082 12.4083 12.4086 k = 0.5225 0.3149-0.1682 ( 4094 PWs) bands (ev): -15.4520 -15.4518 -15.1650 -15.1638 -14.8225 -14.8222 -14.0601 -14.0595 -13.8308 -13.8305 -13.5648 -13.5638 -6.3152 -6.3151 -3.8205 -3.8203 -2.9236 -2.9234 -2.7912 -2.7912 -1.5426 -1.5220 -0.9418 -0.8720 -0.6212 -0.5446 -0.4979 -0.4865 -0.1738 -0.1708 0.7188 0.7191 0.9521 0.9569 1.3866 1.3884 1.7906 1.7924 2.3285 2.3288 2.8629 2.8712 3.0284 3.0394 3.1764 3.1772 3.6254 3.6279 3.9308 3.9312 8.0186 8.0617 9.8142 9.8144 10.8176 10.8440 12.0890 12.1105 12.3977 12.3981 k = 0.5300 0.3041-0.1682 ( 4090 PWs) bands (ev): -15.4585 -15.4583 -15.1642 -15.1626 -14.8170 -14.8166 -14.0593 -14.0585 -13.8316 -13.8313 -13.5644 -13.5630 -6.3111 -6.3110 -3.8311 -3.8308 -2.9252 -2.9249 -2.7828 -2.7827 -1.5595 -1.5326 -0.9552 -0.8661 -0.6289 -0.5431 -0.4974 -0.4705 -0.1668 -0.1630 0.7212 0.7217 0.9482 0.9544 1.3969 1.3996 1.7920 1.7944 2.3327 2.3331 2.8602 2.8707 3.0287 3.0428 3.1736 3.1746 3.6226 3.6259 3.9270 3.9277 8.0155 8.0734 9.8155 9.8160 10.8065 10.8408 12.0837 12.1122 12.3830 12.3838 k = 0.5376 0.2932-0.1682 ( 4088 PWs) bands (ev): -15.4668 -15.4665 -15.1631 -15.1611 -14.8101 -14.8096 -14.0583 -14.0573 -13.8326 -13.8322 -13.5638 -13.5621 -6.3058 -6.3057 -3.8443 -3.8440 -2.9273 -2.9270 -2.7722 -2.7722 -1.5795 -1.5468 -0.9689 -0.8639 -0.6340 -0.5471 -0.4959 -0.4490 -0.1579 -0.1532 0.7244 0.7251 0.9439 0.9513 1.4097 1.4135 1.7940 1.7969 2.3381 2.3386 2.8572 2.8695 3.0296 3.0464 3.1701 3.1713 3.6192 3.6233 3.9223 3.9230 8.0134 8.0863 9.8170 9.8181 10.7938 10.8355 12.0780 12.1133 12.3648 12.3659 k = 0.5451 0.2824-0.1682 ( 4096 PWs) bands (ev): -15.4766 -15.4763 -15.1616 -15.1593 -14.8019 -14.8014 -14.0570 -14.0558 -13.8338 -13.8333 -13.5630 -13.5611 -6.2995 -6.2993 -3.8600 -3.8596 -2.9298 -2.9294 -2.7598 -2.7597 -1.6023 -1.5643 -0.9831 -0.8655 -0.6370 -0.5546 -0.4926 -0.4242 -0.1469 -0.1416 0.7283 0.7292 0.9395 0.9480 1.4246 1.4297 1.7966 1.8000 2.3445 2.3451 2.8537 2.8675 3.0314 3.0503 3.1658 3.1673 3.6151 3.6199 3.9164 3.9173 8.0123 8.1004 9.8187 9.8206 10.7797 10.8279 12.0719 12.1138 12.3432 12.3449 k = 0.5526 0.2716-0.1682 ( 4096 PWs) bands (ev): -15.4878 -15.4876 -15.1600 -15.1572 -14.7925 -14.7919 -14.0555 -14.0541 -13.8353 -13.8347 -13.5621 -13.5599 -6.2920 -6.2918 -3.8778 -3.8774 -2.9328 -2.9323 -2.7457 -2.7456 -1.6276 -1.5847 -0.9979 -0.8712 -0.6394 -0.5645 -0.4863 -0.3973 -0.1342 -0.1283 0.7328 0.7340 0.9354 0.9449 1.4413 1.4480 1.7998 1.8038 2.3519 2.3527 2.8499 2.8647 3.0339 3.0543 3.1608 3.1625 3.6104 3.6160 3.9095 3.9106 8.0119 8.1157 9.8206 9.8238 10.7644 10.8183 12.0653 12.1137 12.3188 12.3213 k = 0.5601 0.2608-0.1682 ( 4092 PWs) bands (ev): -15.5004 -15.5001 -15.1580 -15.1549 -14.7821 -14.7814 -14.0538 -14.0522 -13.8369 -13.8362 -13.5610 -13.5585 -6.2833 -6.2831 -3.8976 -3.8971 -2.9361 -2.9356 -2.7301 -2.7300 -1.6548 -1.6076 -1.0133 -0.8804 -0.6425 -0.5761 -0.4762 -0.3691 -0.1197 -0.1133 0.7381 0.7396 0.9317 0.9420 1.4595 1.4680 1.8037 1.8083 2.3602 2.3612 2.8456 2.8609 3.0371 3.0584 3.1551 3.1571 3.6051 3.6114 3.9016 3.9028 8.0122 8.1320 9.8227 9.8275 10.7482 10.8066 12.0583 12.1129 12.2921 12.2954 k = 0.5676 0.2500-0.1682 ( 4092 PWs) bands (ev): -15.5143 -15.5139 -15.1558 -15.1523 -14.7708 -14.7700 -14.0518 -14.0500 -13.8386 -13.8379 -13.5598 -13.5569 -6.2736 -6.2734 -3.9189 -3.9184 -2.9399 -2.9393 -2.7133 -2.7131 -1.6838 -1.6327 -1.0294 -0.8927 -0.6474 -0.5894 -0.4620 -0.3398 -0.1037 -0.0970 0.7441 0.7460 0.9288 0.9397 1.4791 1.4894 1.8085 1.8136 2.3694 2.3705 2.8409 2.8562 3.0410 3.0626 3.1488 3.1511 3.5993 3.6062 3.8926 3.8940 8.0129 8.1494 9.8249 9.8318 10.7313 10.7931 12.0509 12.1112 12.2636 12.2678 k = 0.5751 0.2392-0.1682 ( 4092 PWs) bands (ev): -15.5291 -15.5288 -15.1533 -15.1495 -14.7586 -14.7578 -14.0496 -14.0477 -13.8405 -13.8397 -13.5583 -13.5551 -6.2628 -6.2626 -3.9416 -3.9411 -2.9440 -2.9434 -2.6955 -2.6953 -1.7143 -1.6598 -1.0464 -0.9075 -0.6548 -0.6039 -0.4437 -0.3099 -0.0863 -0.0794 0.7509 0.7531 0.9267 0.9382 1.4996 1.5121 1.8140 1.8196 2.3793 2.3805 2.8357 2.8506 3.0453 3.0667 3.1419 3.1445 3.5930 3.6005 3.8826 3.8842 8.0141 8.1678 9.8271 9.8366 10.7139 10.7779 12.0429 12.1086 12.2340 12.2391 k = 0.5826 0.2284-0.1682 ( 4082 PWs) bands (ev): -15.5450 -15.5446 -15.1506 -15.1464 -14.7458 -14.7450 -14.0471 -14.0451 -13.8426 -13.8417 -13.5567 -13.5532 -6.2510 -6.2507 -3.9655 -3.9649 -2.9485 -2.9478 -2.6769 -2.6766 -1.7458 -1.6884 -1.0641 -0.9244 -0.6646 -0.6197 -0.4220 -0.2794 -0.0677 -0.0608 0.7584 0.7612 0.9255 0.9377 1.5211 1.5358 1.8204 1.8265 2.3899 2.3913 2.8299 2.8442 3.0500 3.0704 3.1344 3.1375 3.5862 3.5943 3.8716 3.8733 8.0155 8.1869 9.8293 9.8420 10.6963 10.7613 12.0344 12.1047 12.2039 12.2098 k = 0.5901 0.2176-0.1682 ( 4084 PWs) bands (ev): -15.5617 -15.5614 -15.1477 -15.1432 -14.7324 -14.7315 -14.0444 -14.0423 -13.8448 -13.8438 -13.5548 -13.5511 -6.2381 -6.2378 -3.9902 -3.9897 -2.9533 -2.9526 -2.6576 -2.6573 -1.7783 -1.7183 -1.0827 -0.9428 -0.6766 -0.6365 -0.3976 -0.2485 -0.0482 -0.0413 0.7667 0.7701 0.9255 0.9381 1.5432 1.5603 1.8276 1.8343 2.4011 2.4026 2.8235 2.8368 3.0547 3.0736 3.1266 3.1303 3.5790 3.5875 3.8595 3.8615 8.0169 8.2066 9.8313 9.8480 10.6788 10.7434 12.0249 12.0986 12.1748 12.1806 k = 0.5976 0.2067-0.1682 ( 4080 PWs) bands (ev): -15.5792 -15.5789 -15.1446 -15.1397 -14.7185 -14.7175 -14.0415 -14.0392 -13.8471 -13.8460 -13.5528 -13.5489 -6.2243 -6.2239 -4.0157 -4.0151 -2.9584 -2.9576 -2.6379 -2.6375 -1.8115 -1.7493 -1.1021 -0.9627 -0.6904 -0.6541 -0.3711 -0.2175 -0.0279 -0.0213 0.7759 0.7800 0.9267 0.9397 1.5659 1.5854 1.8358 1.8430 2.4128 2.4144 2.8166 2.8287 3.0591 3.0757 3.1188 3.1234 3.5715 3.5804 3.8465 3.8486 8.0182 8.2269 9.8332 9.8544 10.6618 10.7246 12.0144 12.0885 12.1487 12.1520 k = 0.6051 0.1959-0.1682 ( 4074 PWs) bands (ev): -15.5974 -15.5970 -15.1413 -15.1360 -14.7042 -14.7032 -14.0384 -14.0360 -13.8494 -13.8483 -13.5506 -13.5464 -6.2094 -6.2091 -4.0417 -4.0411 -2.9639 -2.9630 -2.6178 -2.6174 -1.8452 -1.7810 -1.1221 -0.9837 -0.7056 -0.6725 -0.3431 -0.1865 -0.0073 -0.0009 0.7861 0.7909 0.9291 0.9425 1.5889 1.6110 1.8449 1.8526 2.4249 2.4266 2.8091 2.8198 3.0624 3.0760 3.1113 3.1174 3.5636 3.5728 3.8324 3.8347 8.0193 8.2475 9.8347 9.8611 10.6455 10.7052 12.0023 12.0714 12.1248 12.1290 k = 0.6127 0.1851-0.1682 ( 4082 PWs) bands (ev): -15.6162 -15.6158 -15.1378 -15.1322 -14.6896 -14.6886 -14.0351 -14.0326 -13.8519 -13.8507 -13.5482 -13.5438 -6.1937 -6.1933 -4.0680 -4.0675 -2.9696 -2.9686 -2.5976 -2.5971 -1.8793 -1.8135 -1.1428 -1.0056 -0.7221 -0.6916 -0.3140 -0.1556 0.0136 0.0195 0.7973 0.8029 0.9327 0.9464 1.6123 1.6369 1.8549 1.8632 2.4373 2.4392 2.8009 2.8102 3.0637 3.0735 3.1053 3.1132 3.5556 3.5649 3.8174 3.8199 8.0199 8.2683 9.8359 9.8681 10.6303 10.6855 11.9883 12.0473 12.0999 12.1161 k = 0.6202 0.1743-0.1682 ( 4082 PWs) bands (ev): -15.6355 -15.6351 -15.1341 -15.1282 -14.6747 -14.6737 -14.0316 -14.0290 -13.8543 -13.8531 -13.5456 -13.5410 -6.1770 -6.1766 -4.0945 -4.0940 -2.9755 -2.9744 -2.5772 -2.5766 -1.9136 -1.8463 -1.1641 -1.0282 -0.7394 -0.7111 -0.2843 -0.1249 0.0343 0.0396 0.8095 0.8162 0.9376 0.9516 1.6359 1.6630 1.8659 1.8746 2.4501 2.4520 2.7921 2.8000 3.0615 3.0678 3.1020 3.1111 3.5474 3.5568 3.8014 3.8042 8.0200 8.2892 9.8364 9.8752 10.6167 10.6659 11.9717 12.0191 12.0780 12.1070 k = 0.3798-0.5468 0.0000 ( 4082 PWs) bands (ev): -15.6355 -15.6351 -15.1341 -15.1282 -14.6747 -14.6737 -14.0316 -14.0290 -13.8543 -13.8531 -13.5456 -13.5410 -6.1770 -6.1766 -4.0945 -4.0940 -2.9755 -2.9744 -2.5772 -2.5766 -1.9136 -1.8463 -1.1641 -1.0282 -0.7394 -0.7111 -0.2843 -0.1249 0.0343 0.0396 0.8095 0.8162 0.9376 0.9516 1.6359 1.6630 1.8659 1.8746 2.4501 2.4520 2.7921 2.8000 3.0615 3.0678 3.1020 3.1111 3.5474 3.5568 3.8014 3.8042 8.0200 8.2892 9.8364 9.8752 10.6167 10.6659 11.9717 12.0191 12.0780 12.1070 k = 0.3721-0.5357 0.0000 ( 4080 PWs) bands (ev): -15.6558 -15.6555 -15.1301 -15.1239 -14.6593 -14.6582 -14.0277 -14.0251 -13.8569 -13.8555 -13.5427 -13.5379 -6.1589 -6.1584 -4.1220 -4.1215 -2.9820 -2.9807 -2.5562 -2.5556 -1.9490 -1.8805 -1.1864 -1.0521 -0.7580 -0.7315 -0.2532 -0.0935 0.0552 0.0599 0.8235 0.8312 0.9439 0.9582 1.6603 1.6901 1.8781 1.8873 2.4634 2.4654 2.7824 2.7887 3.0551 3.0591 3.1017 3.1107 3.5388 3.5481 3.7839 3.7869 8.0194 8.3104 9.8363 9.8823 10.6047 10.6461 11.9518 11.9887 12.0589 12.0993 k = 0.3643-0.5245 0.0000 ( 4084 PWs) bands (ev): -15.6766 -15.6763 -15.1261 -15.1195 -14.6437 -14.6426 -14.0237 -14.0210 -13.8594 -13.8580 -13.5395 -13.5345 -6.1398 -6.1393 -4.1494 -4.1490 -2.9887 -2.9873 -2.5354 -2.5347 -1.9844 -1.9148 -1.2091 -1.0765 -0.7770 -0.7520 -0.2219 -0.0627 0.0754 0.0794 0.8388 0.8478 0.9515 0.9660 1.6848 1.7171 1.8912 1.9009 2.4769 2.4790 2.7721 2.7769 3.0456 3.0484 3.1034 3.1110 3.5303 3.5394 3.7654 3.7687 8.0179 8.3313 9.8352 9.8890 10.5952 10.6272 11.9296 11.9580 12.0432 12.0921 k = 0.3566-0.5133 0.0000 ( 4082 PWs) bands (ev): -15.6978 -15.6975 -15.1219 -15.1150 -14.6282 -14.6270 -14.0194 -14.0168 -13.8619 -13.8604 -13.5362 -13.5310 -6.1199 -6.1194 -4.1767 -4.1763 -2.9958 -2.9941 -2.5148 -2.5141 -2.0195 -1.9491 -1.2320 -1.1011 -0.7962 -0.7725 -0.1907 -0.0324 0.0946 0.0978 0.8555 0.8659 0.9603 0.9750 1.7092 1.7439 1.9052 1.9153 2.4904 2.4926 2.7611 2.7645 3.0343 3.0364 3.1058 3.1113 3.5218 3.5306 3.7460 3.7496 8.0155 8.3516 9.8331 9.8950 10.5887 10.6096 11.9058 11.9279 12.0302 12.0847 k = 0.3488-0.5022 0.0000 ( 4080 PWs) bands (ev): -15.7192 -15.7189 -15.1176 -15.1104 -14.6126 -14.6115 -14.0150 -14.0123 -13.8643 -13.8628 -13.5326 -13.5273 -6.0992 -6.0986 -4.2036 -4.2033 -3.0031 -3.0012 -2.4946 -2.4938 -2.0544 -1.9831 -1.2550 -1.1258 -0.8153 -0.7928 -0.1598 -0.0028 0.1124 0.1148 0.8737 0.8856 0.9705 0.9851 1.7336 1.7705 1.9199 1.9305 2.5039 2.5061 2.7495 2.7515 3.0219 3.0236 3.1081 3.1112 3.5135 3.5219 3.7256 3.7296 8.0121 8.3711 9.8297 9.9000 10.5857 10.5937 11.8813 11.8986 12.0194 12.0771 k = 0.3411-0.4910 0.0000 ( 4082 PWs) bands (ev): -15.7409 -15.7406 -15.1132 -15.1057 -14.5972 -14.5961 -14.0104 -14.0077 -13.8666 -13.8650 -13.5288 -13.5234 -6.0777 -6.0770 -4.2302 -4.2299 -3.0108 -3.0086 -2.4749 -2.4740 -2.0888 -2.0169 -1.2779 -1.1504 -0.8342 -0.8127 -0.1293 0.0260 0.1287 0.1303 0.8932 0.9069 0.9819 0.9963 1.7578 1.7968 1.9353 1.9463 2.5172 2.5195 2.7373 2.7382 3.0088 3.0102 3.1097 3.1104 3.5055 3.5133 3.7045 3.7088 8.0077 8.3896 9.8249 9.9036 10.5797 10.5864 11.8565 11.8703 12.0101 12.0691 k = 0.3333-0.4799 0.0000 ( 4084 PWs) bands (ev): -15.7627 -15.7624 -15.1087 -15.1010 -14.5820 -14.5808 -14.0056 -14.0030 -13.8687 -13.8671 -13.5248 -13.5193 -6.0554 -6.0547 -4.2564 -4.2561 -3.0187 -3.0162 -2.4558 -2.4548 -2.1227 -2.0502 -1.3005 -1.1748 -0.8525 -0.8319 -0.0994 0.0539 0.1433 0.1440 0.9139 0.9297 0.9947 1.0086 1.7818 1.8226 1.9513 1.9626 2.5303 2.5326 2.7244 2.7246 2.9953 2.9964 3.1086 3.1105 3.4978 3.5050 3.6825 3.6872 8.0023 8.4069 9.8186 9.9057 10.5680 10.5912 11.8321 11.8431 12.0020 12.0607 k = 0.3256-0.4687 0.0000 ( 4078 PWs) bands (ev): -15.7846 -15.7844 -15.1042 -15.0962 -14.5671 -14.5659 -14.0006 -13.9981 -13.8706 -13.8689 -13.5206 -13.5150 -6.0324 -6.0317 -4.2820 -4.2818 -3.0271 -3.0242 -2.4374 -2.4363 -2.1559 -2.0830 -1.3227 -1.1988 -0.8701 -0.8502 -0.0703 0.0807 0.1560 0.1562 0.9355 0.9539 1.0090 1.0220 1.8055 1.8478 1.9677 1.9793 2.5430 2.5454 2.7102 2.7114 2.9815 2.9823 3.1059 3.1102 3.4905 3.4970 3.6598 3.6649 7.9958 8.4229 9.8108 9.9060 10.5588 10.6002 11.8082 11.8169 11.9951 12.0518 k = 0.3178-0.4575 0.0000 ( 4086 PWs) bands (ev): -15.8067 -15.8064 -15.0997 -15.0915 -14.5524 -14.5512 -13.9955 -13.9930 -13.8723 -13.8706 -13.5162 -13.5106 -6.0088 -6.0080 -4.3070 -4.3069 -3.0358 -3.0325 -2.4199 -2.4186 -2.1884 -2.1151 -1.3443 -1.2222 -0.8867 -0.8675 -0.0420 0.1061 0.1662 0.1675 0.9574 0.9791 1.0252 1.0365 1.8290 1.8724 1.9846 1.9964 2.5551 2.5576 2.6959 2.6979 2.9677 2.9682 3.1021 3.1086 3.4837 3.4894 3.6364 3.6420 7.9885 8.4374 9.8015 9.9046 10.5519 10.6133 11.7849 11.7918 11.9892 12.0425 k = 0.3101-0.4464 0.0000 ( 4088 PWs) bands (ev): -15.8288 -15.8285 -15.0952 -15.0867 -14.5381 -14.5368 -13.9902 -13.9878 -13.8737 -13.8720 -13.5115 -13.5059 -5.9845 -5.9837 -4.3315 -4.3314 -3.0450 -3.0412 -2.4034 -2.4020 -2.2200 -2.1464 -1.3652 -1.2449 -0.9021 -0.8835 -0.0147 0.1297 0.1746 0.1777 0.9790 1.0047 1.0438 1.0528 1.8520 1.8962 2.0016 2.0136 2.5662 2.5690 2.6814 2.6843 2.9541 2.9543 3.0973 3.1056 3.4773 3.4823 3.6124 3.6185 7.9803 8.4504 9.7908 9.9014 10.5475 10.6304 11.7623 11.7676 11.9843 12.0328 k = 0.3023-0.4352 0.0000 ( 4092 PWs) bands (ev): -15.8509 -15.8506 -15.0907 -15.0820 -14.5242 -14.5229 -13.9847 -13.9825 -13.8748 -13.8731 -13.5067 -13.5011 -5.9597 -5.9588 -4.3552 -4.3552 -3.0546 -3.0504 -2.3882 -2.3865 -2.2506 -2.1770 -1.3853 -1.2667 -0.9160 -0.8980 0.0114 0.1501 0.1813 0.1878 0.9995 1.0296 1.0651 1.0714 1.8746 1.9192 2.0188 2.0308 2.5760 2.5792 2.6670 2.6708 2.9408 2.9409 3.0913 3.1013 3.4714 3.4756 3.5879 3.5945 7.9715 8.4618 9.7787 9.8966 10.5453 10.6511 11.7405 11.7444 11.9805 12.0227 k = 0.2946-0.4241 0.0000 ( 4094 PWs) bands (ev): -15.8729 -15.8727 -15.0862 -15.0774 -14.5108 -14.5095 -13.9792 -13.9770 -13.8755 -13.8738 -13.5017 -13.4960 -5.9343 -5.9334 -4.3783 -4.3782 -3.0646 -3.0600 -2.3745 -2.3724 -2.2800 -2.2066 -1.4043 -1.2875 -0.9281 -0.9107 0.0362 0.1652 0.1867 0.2002 1.0185 1.0523 1.0894 1.0936 1.8967 1.9411 2.0360 2.0479 2.5837 2.5877 2.6531 2.6581 2.9279 2.9284 3.0842 3.0955 3.4660 3.4695 3.5630 3.5702 7.9620 8.4715 9.7656 9.8905 10.5450 10.6749 11.7192 11.7220 11.9779 12.0123 k = 0.2868-0.4129 0.0000 ( 4096 PWs) bands (ev): -15.8949 -15.8946 -15.0818 -15.0728 -14.4979 -14.4966 -13.9735 -13.9714 -13.8759 -13.8741 -13.4965 -13.4909 -5.9085 -5.9075 -4.4006 -4.4004 -3.0752 -3.0700 -2.3629 -2.3597 -2.3077 -2.2353 -1.4221 -1.3071 -0.9383 -0.9214 0.0592 0.1736 0.1908 0.2162 1.0362 1.0724 1.1161 1.1195 1.9183 1.9620 2.0530 2.0648 2.5878 2.5933 2.6409 2.6474 2.9159 2.9168 3.0760 3.0883 3.4610 3.4638 3.5378 3.5456 7.9522 8.4796 9.7517 9.8832 10.5464 10.7012 11.6985 11.7003 11.9766 12.0018 k = 0.2791-0.4018 0.0000 ( 4100 PWs) bands (ev): -15.9167 -15.9165 -15.0775 -15.0683 -14.4856 -14.4842 -13.9676 -13.9657 -13.8758 -13.8740 -13.4911 -13.4856 -5.8822 -5.8811 -4.4221 -4.4218 -3.0863 -3.0806 -2.3568 -2.3487 -2.3305 -2.2630 -1.4387 -1.3254 -0.9464 -0.9299 0.0801 0.1771 0.1944 0.2341 1.0526 1.0903 1.1447 1.1482 1.9392 1.9815 2.0698 2.0813 2.5867 2.5934 2.6325 2.6403 2.9052 2.9065 3.0669 3.0797 3.4565 3.4585 3.5124 3.5210 7.9421 8.4860 9.7372 9.8750 10.5488 10.7295 11.6782 11.6793 11.9767 11.9913 k = 0.2713-0.3906 0.0000 ( 4096 PWs) bands (ev): -15.9384 -15.9382 -15.0732 -15.0639 -14.4739 -14.4725 -13.9617 -13.9599 -13.8753 -13.8735 -13.4856 -13.4801 -5.8555 -5.8544 -4.4428 -4.4424 -3.0979 -3.0917 -2.3697 -2.3396 -2.3349 -2.2895 -1.4538 -1.3423 -0.9520 -0.9360 0.0983 0.1775 0.1979 0.2522 1.0682 1.1069 1.1746 1.1785 1.9593 1.9997 2.0862 2.0973 2.5797 2.5864 2.6295 2.6373 2.8960 2.8977 3.0568 3.0699 3.4523 3.4533 3.4870 3.4966 7.9319 8.4908 9.7225 9.8664 10.5520 10.7589 11.6582 11.6587 11.9784 11.9809 k = 0.2636-0.3794 0.0000 ( 4088 PWs) bands (ev): -15.9599 -15.9597 -15.0690 -15.0597 -14.4628 -14.4614 -13.9556 -13.9540 -13.8742 -13.8725 -13.4800 -13.4745 -5.8285 -5.8273 -4.4626 -4.4620 -3.1100 -3.1034 -2.3929 -2.3334 -2.3299 -2.3142 -1.4674 -1.3576 -0.9550 -0.9394 0.1129 0.1758 0.2025 0.2696 1.0831 1.1229 1.2052 1.2096 1.9786 2.0162 2.1021 2.1126 2.5686 2.5745 2.6294 2.6365 2.8887 2.8908 3.0459 3.0588 3.4473 3.4481 3.4620 3.4735 7.9219 8.4942 9.7077 9.8574 10.5555 10.7887 11.6385 11.6385 11.9710 11.9816 k = 0.2558-0.3683 0.0000 ( 4096 PWs) bands (ev): -15.9811 -15.9810 -15.0650 -15.0555 -14.4525 -14.4510 -13.9495 -13.9480 -13.8727 -13.8709 -13.4742 -13.4688 -5.8012 -5.8000 -4.4814 -4.4808 -3.1227 -3.1156 -2.4166 -2.3425 -2.3253 -2.3245 -1.4793 -1.3712 -0.9552 -0.9401 0.1231 0.1724 0.2090 0.2859 1.0976 1.1384 1.2360 1.2407 1.9969 2.0310 2.1172 2.1272 2.5556 2.5606 2.6293 2.6357 2.8834 2.8859 3.0343 3.0467 3.4350 3.4364 3.4463 3.4558 7.9122 8.4961 9.6932 9.8484 10.5588 10.8182 11.6186 11.6189 11.9618 11.9865 k = 0.2481-0.3571 0.0000 ( 4090 PWs) bands (ev): -16.0021 -16.0020 -15.0610 -15.0515 -14.4428 -14.4414 -13.9432 -13.9419 -13.8706 -13.8689 -13.4683 -13.4630 -5.7738 -5.7725 -4.4994 -4.4986 -3.1359 -3.1284 -2.4395 -2.3651 -2.3225 -2.3225 -1.4894 -1.3831 -0.9524 -0.9379 0.1284 0.1677 0.2179 0.3010 1.1117 1.1535 1.2665 1.2715 2.0141 2.0437 2.1316 2.1409 2.5420 2.5461 2.6281 2.6338 2.8803 2.8832 3.0221 3.0336 3.4108 3.4165 3.4425 3.4477 7.9030 8.4968 9.6792 9.8396 10.5616 10.8466 11.5989 11.5993 11.9535 11.9930 k = 0.2403-0.3460 0.0000 ( 4096 PWs) bands (ev): -16.0228 -16.0227 -15.0572 -15.0477 -14.4339 -14.4324 -13.9369 -13.9358 -13.8680 -13.8663 -13.4623 -13.4572 -5.7462 -5.7449 -4.5163 -4.5154 -3.1496 -3.1417 -2.4614 -2.3876 -2.3219 -2.3218 -1.4977 -1.3932 -0.9467 -0.9326 0.1296 0.1618 0.2288 0.3147 1.1254 1.1682 1.2965 1.3016 2.0299 2.0543 2.1450 2.1535 2.5287 2.5315 2.6252 2.6303 2.8792 2.8825 3.0093 3.0198 3.3865 3.3938 3.4393 3.4431 7.8944 8.4962 9.6659 9.8312 10.5635 10.8731 11.5792 11.5796 11.9464 12.0012 k = 0.2326-0.3348 0.0000 ( 4092 PWs) bands (ev): -16.0432 -16.0431 -15.0536 -15.0441 -14.4258 -14.4243 -13.9305 -13.9296 -13.8648 -13.8631 -13.4562 -13.4512 -5.7185 -5.7172 -4.5322 -4.5312 -3.1637 -3.1555 -2.4824 -2.4093 -2.3234 -2.3232 -1.5040 -1.4014 -0.9379 -0.9243 0.1275 0.1549 0.2407 0.3270 1.1389 1.1827 1.3255 1.3307 2.0442 2.0623 2.1574 2.1651 2.5162 2.5174 2.6207 2.6251 2.8800 2.8836 2.9962 3.0052 3.3629 3.3708 3.4364 3.4395 7.8867 8.4947 9.6535 9.8233 10.5642 10.8971 11.5594 11.5599 11.9410 12.0108 k = 0.2248-0.3236 0.0000 ( 4098 PWs) bands (ev): -16.0632 -16.0631 -15.0501 -15.0406 -14.4184 -14.4169 -13.9241 -13.9233 -13.8611 -13.8595 -13.4501 -13.4452 -5.6909 -5.6895 -4.5471 -4.5460 -3.1782 -3.1698 -2.5022 -2.4302 -2.3271 -2.3269 -1.5085 -1.4076 -0.9260 -0.9130 0.1232 0.1473 0.2528 0.3378 1.1521 1.1968 1.3533 1.3585 2.0566 2.0676 2.1685 2.1754 2.5039 2.5051 2.6150 2.6184 2.8821 2.8861 2.9828 2.9902 3.3402 3.3484 3.4335 3.4362 7.8800 8.4923 9.6421 9.8162 10.5635 10.9177 11.5396 11.5401 11.9374 12.0218 k = 0.2170-0.3125 0.0000 ( 4090 PWs) bands (ev): -16.0829 -16.0828 -15.0467 -15.0373 -14.4118 -14.4103 -13.9176 -13.9170 -13.8569 -13.8553 -13.4439 -13.4392 -5.6634 -5.6620 -4.5608 -4.5597 -3.1930 -3.1845 -2.5211 -2.4502 -2.3330 -2.3328 -1.5109 -1.4119 -0.9110 -0.8986 0.1172 0.1390 0.2645 0.3470 1.1650 1.2105 1.3797 1.3847 2.0671 2.0701 2.1784 2.1844 2.4915 2.4956 2.6082 2.6105 2.8852 2.8898 2.9693 2.9748 3.3185 3.3269 3.4307 3.4331 7.8743 8.4891 9.6320 9.8098 10.5614 10.9345 11.5197 11.5201 11.9360 12.0339 k = 0.2093-0.3013 0.0000 ( 4092 PWs) bands (ev): -16.1021 -16.1020 -15.0435 -15.0342 -14.4059 -14.4044 -13.9112 -13.9107 -13.8522 -13.8506 -13.4377 -13.4332 -5.6361 -5.6346 -4.5735 -4.5722 -3.2081 -3.1995 -2.5391 -2.4695 -2.3411 -2.3409 -1.5114 -1.4143 -0.8931 -0.8812 0.1101 0.1302 0.2756 0.3548 1.1776 1.2237 1.4044 1.4091 2.0695 2.0751 2.1868 2.1920 2.4803 2.4881 2.6008 2.6017 2.8887 2.8942 2.9559 2.9591 3.2981 3.3065 3.4278 3.4300 7.8699 8.4853 9.6232 9.8045 10.5577 10.9470 11.4996 11.4999 11.9370 12.0470 k = 0.2015-0.2902 0.0000 ( 4088 PWs) bands (ev): -16.1209 -16.1208 -15.0405 -15.0313 -14.4008 -14.3992 -13.9047 -13.9044 -13.8470 -13.8455 -13.4315 -13.4271 -5.6091 -5.6076 -4.5849 -4.5835 -3.2234 -3.2148 -2.5561 -2.4879 -2.3513 -2.3509 -1.5099 -1.4148 -0.8723 -0.8610 0.1023 0.1210 0.2857 0.3611 1.1899 1.2365 1.4272 1.4316 2.0659 2.0806 2.1939 2.1982 2.4707 2.4827 2.5923 2.5930 2.8919 2.8988 2.9432 2.9435 3.2793 3.2874 3.4250 3.4268 7.8668 8.4811 9.6158 9.8002 10.5525 10.9548 11.4792 11.4796 11.9403 12.0609 k = 0.1938-0.2790 0.0000 ( 4086 PWs) bands (ev): -16.1392 -16.1391 -15.0377 -15.0285 -14.3963 -14.3947 -13.8982 -13.8981 -13.8413 -13.8399 -13.4253 -13.4211 -5.5825 -5.5809 -4.5951 -4.5936 -3.2389 -3.2303 -2.5723 -2.5057 -2.3633 -2.3629 -1.5065 -1.4134 -0.8489 -0.8382 0.0939 0.1116 0.2948 0.3659 1.2017 1.2487 1.4479 1.4519 2.0594 2.0833 2.1996 2.2031 2.4629 2.4793 2.5825 2.5851 2.8935 2.9032 2.9282 2.9320 3.2620 3.2697 3.4220 3.4236 7.8652 8.4764 9.6100 9.7971 10.5458 10.9578 11.4586 11.4590 11.9460 12.0751 k = 0.1860-0.2678 0.0000 ( 4084 PWs) bands (ev): -16.1570 -16.1569 -15.0350 -15.0260 -14.3925 -14.3909 -13.8918 -13.8918 -13.8353 -13.8339 -13.4192 -13.4151 -5.5565 -5.5548 -4.6040 -4.6025 -3.2543 -3.2458 -2.5877 -2.5228 -2.3771 -2.3766 -1.5013 -1.4101 -0.8230 -0.8129 0.0852 0.1020 0.3028 0.3694 1.2131 1.2601 1.4664 1.4700 2.0503 2.0830 2.2039 2.2067 2.4569 2.4777 2.5725 2.5771 2.8917 2.9053 2.9153 2.9243 3.2465 3.2537 3.4190 3.4203 7.8651 8.4714 9.6058 9.7952 10.5378 10.9560 11.4377 11.4383 11.9540 12.0896 k = 0.1783-0.2567 0.0000 ( 4086 PWs) bands (ev): -16.1743 -16.1742 -15.0324 -15.0236 -14.3894 -14.3878 -13.8855 -13.8854 -13.8290 -13.8276 -13.4131 -13.4092 -5.5310 -5.5294 -4.6116 -4.6100 -3.2698 -3.2614 -2.6023 -2.5393 -2.3924 -2.3919 -1.4942 -1.4052 -0.7949 -0.7854 0.0764 0.0925 0.3096 0.3715 1.2240 1.2707 1.4827 1.4857 2.0391 2.0799 2.2069 2.2091 2.4527 2.4777 2.5624 2.5691 2.8848 2.8952 2.9145 2.9215 3.2329 3.2395 3.4158 3.4168 7.8665 8.4661 9.6032 9.7947 10.5287 10.9496 11.4166 11.4172 11.9639 12.1040 k = 0.1705-0.2455 0.0000 ( 4082 PWs) bands (ev): -16.1910 -16.1910 -15.0301 -15.0215 -14.3868 -14.3852 -13.8793 -13.8791 -13.8223 -13.8211 -13.4071 -13.4034 -5.5063 -5.5047 -4.6179 -4.6162 -3.2851 -3.2769 -2.6162 -2.5552 -2.4091 -2.4085 -1.4854 -1.3986 -0.7649 -0.7560 0.0675 0.0830 0.3154 0.3723 1.2341 1.2802 1.4967 1.4990 2.0262 2.0740 2.2089 2.2104 2.4503 2.4789 2.5521 2.5612 2.8746 2.8810 2.9178 2.9220 3.2212 3.2271 3.4125 3.4132 7.8695 8.4607 9.6023 9.7955 10.5187 10.9389 11.3952 11.3960 11.9755 12.1182 k = 0.1628-0.2344 0.0000 ( 4084 PWs) bands (ev): -16.2072 -16.2072 -15.0279 -15.0195 -14.3847 -14.3831 -13.8732 -13.8729 -13.8155 -13.8143 -13.4011 -13.3977 -5.4825 -5.4808 -4.6227 -4.6209 -3.3002 -3.2922 -2.6295 -2.5706 -2.4270 -2.4263 -1.4751 -1.3906 -0.7331 -0.7249 0.0589 0.0738 0.3201 0.3720 1.2435 1.2884 1.5084 1.5100 2.0121 2.0656 2.2098 2.2108 2.4492 2.4807 2.5419 2.5532 2.8633 2.8671 2.9211 2.9238 3.2114 3.2165 3.4090 3.4094 7.8741 8.4551 9.6032 9.7978 10.5080 10.9242 11.3733 11.3743 11.9885 12.1318 k = 0.1550-0.2232 0.0000 ( 4084 PWs) bands (ev): -16.2228 -16.2227 -15.0259 -15.0177 -14.3831 -14.3816 -13.8672 -13.8668 -13.8085 -13.8073 -13.3953 -13.3921 -5.4597 -5.4580 -4.6261 -4.6243 -3.3150 -3.3073 -2.6421 -2.5854 -2.4459 -2.4451 -1.4632 -1.3811 -0.7000 -0.6924 0.0505 0.0649 0.3238 0.3707 1.2518 1.2952 1.5178 1.5188 1.9973 2.0552 2.2099 2.2106 2.4491 2.4827 2.5316 2.5451 2.8518 2.8538 2.9240 2.9260 3.2034 3.2078 3.4054 3.4055 7.8802 8.4494 9.6059 9.8015 10.4970 10.9061 11.3512 11.3524 12.0023 12.1448 k = 0.1473-0.2120 0.0000 ( 4076 PWs) bands (ev): -16.2377 -16.2377 -15.0240 -15.0161 -14.3820 -14.3805 -13.8613 -13.8609 -13.8013 -13.8003 -13.3897 -13.3866 -5.4379 -5.4362 -4.6281 -4.6262 -3.3294 -3.3220 -2.6541 -2.5997 -2.4656 -2.4647 -1.4500 -1.3704 -0.6659 -0.6589 0.0425 0.0565 0.3265 0.3685 1.2589 1.3002 1.5250 1.5255 1.9824 2.0431 2.2094 2.2100 2.4494 2.4842 2.5214 2.5369 2.8408 2.8414 2.9267 2.9283 3.1970 3.2007 3.4015 3.4017 7.8880 8.4435 9.6104 9.8067 10.4859 10.8849 11.3285 11.3300 12.0168 12.1570 k = 0.1395-0.2009 0.0000 ( 4078 PWs) bands (ev): -16.2521 -16.2520 -15.0222 -15.0146 -14.3812 -14.3797 -13.8555 -13.8550 -13.7942 -13.7932 -13.3842 -13.3813 -5.4174 -5.4157 -4.6286 -4.6267 -3.3435 -3.3364 -2.6655 -2.6134 -2.4859 -2.4848 -1.4355 -1.3586 -0.6310 -0.6247 0.0352 0.0488 0.3284 0.3655 1.2647 1.3031 1.5303 1.5304 1.9677 2.0299 2.2085 2.2091 2.4496 2.4843 2.5120 2.5285 2.8300 2.8305 2.9291 2.9306 3.1921 3.1951 3.3973 3.3978 7.8974 8.4374 9.6167 9.8134 10.4749 10.8612 11.3054 11.3072 12.0316 12.1683 k = 0.1318-0.1897 0.0000 ( 4078 PWs) bands (ev): -16.2657 -16.2657 -15.0206 -15.0133 -14.3808 -14.3793 -13.8499 -13.8494 -13.7871 -13.7861 -13.3789 -13.3761 -5.3981 -5.3964 -4.6277 -4.6258 -3.3571 -3.3503 -2.6764 -2.6267 -2.5065 -2.5054 -1.4201 -1.3459 -0.5959 -0.5902 0.0285 0.0417 0.3296 0.3618 1.2688 1.3038 1.5337 1.5338 1.9537 2.0161 2.2074 2.2082 2.4492 2.4812 2.5048 2.5201 2.8198 2.8212 2.9314 2.9329 3.1884 3.1909 3.3930 3.3938 7.9082 8.4311 9.6249 9.8216 10.4644 10.8355 11.2817 11.2838 12.0464 12.1786 k = 0.1240-0.1786 0.0000 ( 4076 PWs) bands (ev): -16.2787 -16.2787 -15.0192 -15.0122 -14.3806 -14.3792 -13.8445 -13.8440 -13.7800 -13.7791 -13.3737 -13.3712 -5.3802 -5.3785 -4.6254 -4.6235 -3.3702 -3.3637 -2.6867 -2.6395 -2.5273 -2.5261 -1.4037 -1.3326 -0.5608 -0.5558 0.0228 0.0356 0.3300 0.3577 1.2712 1.3020 1.5355 1.5358 1.9406 2.0020 2.2063 2.2073 2.4476 2.4737 2.5006 2.5119 2.8109 2.8132 2.9336 2.9353 3.1858 3.1878 3.3886 3.3897 7.9205 8.4245 9.6348 9.8311 10.4547 10.8083 11.2575 11.2598 12.0610 12.1879 k = 0.1163-0.1674 0.0000 ( 4072 PWs) bands (ev): -16.2910 -16.2910 -15.0178 -15.0112 -14.3807 -14.3793 -13.8393 -13.8387 -13.7731 -13.7722 -13.3688 -13.3664 -5.3636 -5.3620 -4.6218 -4.6200 -3.3826 -3.3766 -2.6964 -2.6518 -2.5481 -2.5468 -1.3867 -1.3187 -0.5261 -0.5219 0.0182 0.0306 0.3299 0.3532 1.2716 1.2978 1.5359 1.5368 1.9287 1.9882 2.2052 2.2067 2.4444 2.4632 2.4981 2.5040 2.8035 2.8064 2.9359 2.9377 3.1841 3.1857 3.3842 3.3855 7.9341 8.4176 9.6464 9.8419 10.4461 10.7800 11.2326 11.2352 12.0752 12.1961 k = 0.1085-0.1562 0.0000 ( 4079 PWs) bands (ev): -16.3026 -16.3026 -15.0166 -15.0103 -14.3809 -14.3797 -13.8343 -13.8337 -13.7663 -13.7656 -13.3641 -13.3619 -5.3485 -5.3470 -4.6171 -4.6152 -3.3945 -3.3888 -2.7057 -2.6637 -2.5686 -2.5672 -1.3691 -1.3044 -0.4924 -0.4888 0.0148 0.0268 0.3293 0.3485 1.2701 1.2910 1.5352 1.5368 1.9183 1.9750 2.2043 2.2062 2.4390 2.4511 2.4956 2.4967 2.7975 2.8010 2.9382 2.9403 3.1830 3.1843 3.3797 3.3813 7.9490 8.4102 9.6597 9.8539 10.4387 10.7511 11.2072 11.2100 12.0888 12.2032 k = 0.1008-0.1451 0.0000 ( 4079 PWs) bands (ev): -16.3134 -16.3134 -15.0155 -15.0096 -14.3814 -14.3802 -13.8296 -13.8290 -13.7598 -13.7591 -13.3597 -13.3577 -5.3349 -5.3334 -4.6112 -4.6095 -3.4056 -3.4003 -2.7143 -2.6751 -2.5887 -2.5873 -1.3513 -1.2901 -0.4601 -0.4572 0.0128 0.0245 0.3282 0.3436 1.2664 1.2821 1.5334 1.5361 1.9095 1.9628 2.2036 2.2061 2.4317 2.4383 2.4899 2.4925 2.7930 2.7969 2.9406 2.9428 3.1825 3.1835 3.3753 3.3770 7.9651 8.4023 9.6746 9.8668 10.4327 10.7221 11.1811 11.1842 12.1019 12.2092 k = 0.0930-0.1339 0.0000 ( 4073 PWs) bands (ev): -16.3235 -16.3235 -15.0145 -15.0090 -14.3819 -14.3808 -13.8251 -13.8245 -13.7536 -13.7530 -13.3555 -13.3536 -5.3226 -5.3212 -4.6045 -4.6028 -3.4161 -3.4112 -2.7225 -2.6861 -2.6080 -2.6067 -1.3334 -1.2759 -0.4296 -0.4273 0.0125 0.0237 0.3269 0.3388 1.2609 1.2712 1.5308 1.5345 1.9024 1.9517 2.2033 2.2063 2.4226 2.4251 2.4835 2.4886 2.7900 2.7942 2.9430 2.9453 3.1824 3.1832 3.3710 3.3728 7.9823 8.3938 9.6910 9.8804 10.4285 10.6932 11.1546 11.1577 12.1142 12.2142 k = 0.0853-0.1228 0.0000 ( 4063 PWs) bands (ev): -16.3329 -16.3329 -15.0135 -15.0085 -14.3825 -14.3815 -13.8209 -13.8203 -13.7478 -13.7472 -13.3516 -13.3499 -5.3117 -5.3104 -4.5971 -4.5955 -3.4258 -3.4213 -2.7302 -2.6967 -2.6264 -2.6252 -1.3155 -1.2620 -0.4013 -0.3997 0.0139 0.0245 0.3253 0.3342 1.2535 1.2589 1.5274 1.5322 1.8970 1.9421 2.2034 2.2068 2.4119 2.4121 2.4774 2.4837 2.7882 2.7926 2.9453 2.9478 3.1825 3.1833 3.3667 3.3687 8.0004 8.3847 9.7087 9.8943 10.4260 10.6651 11.1276 11.1309 12.1259 12.2182 k = 0.0775-0.1116 0.0000 ( 4067 PWs) bands (ev): -16.3415 -16.3415 -15.0127 -15.0080 -14.3832 -14.3822 -13.8170 -13.8164 -13.7423 -13.7417 -13.3480 -13.3465 -5.3022 -5.3010 -4.5892 -4.5877 -3.4347 -3.4306 -2.7374 -2.7070 -2.6437 -2.6426 -1.2981 -1.2487 -0.3758 -0.3747 0.0172 0.0272 0.3237 0.3299 1.2445 1.2456 1.5236 1.5292 1.8933 1.9339 2.2038 2.2076 2.3988 2.4009 2.4713 2.4782 2.7876 2.7920 2.9476 2.9502 3.1829 3.1836 3.3627 3.3646 8.0194 8.3747 9.7277 9.9081 10.4255 10.6382 11.1004 11.1037 12.1368 12.2213 k = 0.0698-0.1004 0.0000 ( 4065 PWs) bands (ev): -16.3493 -16.3492 -15.0119 -15.0077 -14.3839 -14.3830 -13.8134 -13.8128 -13.7372 -13.7367 -13.3447 -13.3433 -5.2938 -5.2928 -4.5810 -4.5797 -3.4428 -3.4391 -2.7442 -2.7169 -2.6595 -2.6588 -1.2812 -1.2360 -0.3533 -0.3526 0.0222 0.0315 0.3219 0.3259 1.2317 1.2344 1.5193 1.5254 1.8912 1.9272 2.2045 2.2086 2.3862 2.3892 2.4651 2.4721 2.7879 2.7922 2.9498 2.9524 3.1834 3.1840 3.3588 3.3608 8.0390 8.3639 9.7476 9.9214 10.4268 10.6128 11.0733 11.0764 12.1470 12.2234 k = 0.0620-0.0893 0.0000 ( 4069 PWs) bands (ev): -16.3563 -16.3563 -15.0113 -15.0075 -14.3845 -14.3837 -13.8101 -13.8096 -13.7325 -13.7321 -13.3416 -13.3404 -5.2867 -5.2857 -4.5729 -4.5716 -3.4501 -3.4468 -2.7505 -2.7266 -2.6736 -2.6734 -1.2651 -1.2244 -0.3339 -0.3335 0.0289 0.0372 0.3201 0.3223 1.2179 1.2234 1.5147 1.5211 1.8905 1.9220 2.2055 2.2099 2.3740 2.3775 2.4590 2.4657 2.7889 2.7930 2.9518 2.9543 3.1840 3.1846 3.3552 3.3571 8.0592 8.3522 9.7683 9.9335 10.4299 10.5894 11.0464 11.0494 12.1565 12.2246 k = 0.0543-0.0781 0.0000 ( 4073 PWs) bands (ev): -16.3625 -16.3625 -15.0106 -15.0073 -14.3852 -14.3845 -13.8072 -13.8067 -13.7283 -13.7280 -13.3390 -13.3379 -5.2806 -5.2797 -4.5650 -4.5639 -3.4566 -3.4537 -2.7564 -2.7360 -2.6863 -2.6860 -1.2499 -1.2139 -0.3176 -0.3175 0.0368 0.0442 0.3184 0.3192 1.2046 1.2120 1.5101 1.5164 1.8910 1.9180 2.2069 2.2113 2.3626 2.3662 2.4531 2.4592 2.7904 2.7941 2.9537 2.9561 3.1847 3.1851 3.3519 3.3537 8.0799 8.3395 9.7897 9.9438 10.4348 10.5684 11.0203 11.0230 12.1653 12.2251 k = 0.0465-0.0670 0.0000 ( 4069 PWs) bands (ev): -16.3679 -16.3679 -15.0101 -15.0072 -14.3857 -14.3851 -13.8046 -13.8042 -13.7247 -13.7244 -13.3366 -13.3357 -5.2755 -5.2748 -4.5576 -4.5566 -3.4622 -3.4597 -2.7618 -2.7450 -2.6974 -2.6965 -1.2360 -1.2048 -0.3044 -0.3044 0.0455 0.0518 0.3167 0.3169 1.1923 1.2007 1.5056 1.5116 1.8924 1.9151 2.2085 2.2128 2.3522 2.3555 2.4475 2.4529 2.7922 2.7955 2.9554 2.9575 3.1853 3.1858 3.3490 3.3506 8.1008 8.3258 9.8113 9.9517 10.4411 10.5502 10.9955 10.9978 12.1734 12.2248 k = 0.0388-0.0558 0.0000 ( 4073 PWs) bands (ev): -16.3725 -16.3725 -15.0096 -15.0072 -14.3863 -14.3858 -13.8024 -13.8021 -13.7215 -13.7213 -13.3346 -13.3339 -5.2713 -5.2707 -4.5509 -4.5500 -3.4669 -3.4649 -2.7668 -2.7533 -2.7066 -2.7051 -1.2234 -1.1972 -0.2941 -0.2940 0.0543 0.0596 0.3147 0.3155 1.1814 1.1899 1.5014 1.5068 1.8944 1.9130 2.2102 2.2143 2.3428 2.3457 2.4424 2.4471 2.7940 2.7969 2.9568 2.9587 3.1860 3.1863 3.3465 3.3479 8.1218 8.3112 9.8329 9.9566 10.4486 10.5348 10.9725 10.9745 12.1809 12.2238 k = 0.0310-0.0446 0.0000 ( 4071 PWs) bands (ev): -16.3762 -16.3762 -15.0091 -15.0072 -14.3867 -14.3863 -13.8006 -13.8003 -13.7189 -13.7187 -13.3329 -13.3323 -5.2680 -5.2675 -4.5450 -4.5444 -3.4708 -3.4691 -2.7710 -2.7608 -2.7138 -2.7121 -1.2124 -1.1912 -0.2861 -0.2860 0.0627 0.0668 0.3132 0.3142 1.1722 1.1801 1.4977 1.5023 1.8968 1.9114 2.2121 2.2157 2.3348 2.3371 2.4381 2.4419 2.7959 2.7982 2.9581 2.9597 3.1865 3.1868 3.3444 3.3456 8.1429 8.2956 9.8541 9.9580 10.4569 10.5222 10.9521 10.9537 12.1878 12.2221 k = 0.0233-0.0335 0.0000 ( 4063 PWs) bands (ev): -16.3791 -16.3791 -15.0087 -15.0073 -14.3870 -14.3867 -13.7992 -13.7990 -13.7169 -13.7167 -13.3316 -13.3312 -5.2655 -5.2651 -4.5403 -4.5398 -3.4737 -3.4725 -2.7744 -2.7671 -2.7191 -2.7175 -1.2030 -1.1871 -0.2803 -0.2802 0.0700 0.0731 0.3122 0.3132 1.1650 1.1716 1.4948 1.4984 1.8993 1.9102 2.2139 2.2168 2.3283 2.3300 2.4346 2.4375 2.7975 2.7993 2.9591 2.9603 3.1870 3.1872 3.3427 3.3437 8.1638 8.2790 9.8747 9.9557 10.4654 10.5121 10.9350 10.9362 12.1941 12.2199 k = 0.0155-0.0223 0.0000 ( 4065 PWs) bands (ev): -16.3812 -16.3812 -15.0084 -15.0074 -14.3873 -14.3871 -13.7981 -13.7980 -13.7154 -13.7153 -13.3306 -13.3303 -5.2637 -5.2634 -4.5368 -4.5364 -3.4758 -3.4750 -2.7768 -2.7720 -2.7226 -2.7214 -1.1955 -1.1848 -0.2763 -0.2762 0.0757 0.0778 0.3116 0.3124 1.1602 1.1649 1.4928 1.4953 1.9018 1.9089 2.2155 2.2176 2.3235 2.3246 2.4322 2.4341 2.7988 2.8001 2.9599 2.9607 3.1873 3.1875 3.3416 3.3422 8.1844 8.2616 9.8940 9.9497 10.4738 10.5037 10.9222 10.9229 12.1998 12.2170 k = 0.0078-0.0112 0.0000 ( 4065 PWs) bands (ev): -16.3825 -16.3825 -15.0081 -15.0076 -14.3874 -14.3873 -13.7975 -13.7974 -13.7145 -13.7144 -13.3300 -13.3299 -5.2626 -5.2625 -4.5346 -4.5344 -3.4769 -3.4765 -2.7778 -2.7755 -2.7245 -2.7238 -1.1898 -1.1845 -0.2740 -0.2740 0.0795 0.0805 0.3114 0.3118 1.1577 1.1602 1.4918 1.4931 1.9040 1.9076 2.2168 2.2179 2.3206 2.3211 2.4309 2.4318 2.7998 2.8004 2.9604 2.9609 3.1876 3.1877 3.3410 3.3413 8.2046 8.2433 9.9117 9.9400 10.4817 10.4963 10.9142 10.9145 12.2049 12.2135 k = 0.0000 0.0000 0.0000 ( 4063 PWs) bands (ev): -16.3829 -16.3829 -15.0078 -15.0078 -14.3874 -14.3874 -13.7973 -13.7973 -13.7142 -13.7142 -13.3298 -13.3298 -5.2622 -5.2622 -4.5338 -4.5338 -3.4772 -3.4772 -2.7774 -2.7774 -2.7249 -2.7249 -1.1861 -1.1861 -0.2733 -0.2733 0.0812 0.0812 0.3115 0.3115 1.1577 1.1577 1.4919 1.4919 1.9060 1.9060 2.2176 2.2176 2.3198 2.3198 2.4307 2.4307 2.8003 2.8003 2.9608 2.9608 3.1877 3.1877 3.3409 3.3409 8.2243 8.2243 9.9272 9.9272 10.4892 10.4892 10.9116 10.9116 12.2095 12.2095 k = 0.0000 0.0000 0.0000 ( 4063 PWs) bands (ev): -16.3829 -16.3829 -15.0078 -15.0078 -14.3874 -14.3874 -13.7973 -13.7973 -13.7142 -13.7142 -13.3298 -13.3298 -5.2622 -5.2622 -4.5338 -4.5338 -3.4772 -3.4772 -2.7774 -2.7774 -2.7249 -2.7249 -1.1861 -1.1861 -0.2733 -0.2733 0.0812 0.0812 0.3115 0.3115 1.1577 1.1577 1.4919 1.4919 1.9060 1.9060 2.2176 2.2176 2.3198 2.3198 2.4307 2.4307 2.8003 2.8003 2.9608 2.9608 3.1877 3.1877 3.3409 3.3409 8.2243 8.2243 9.9272 9.9272 10.4892 10.4892 10.9116 10.9116 12.2095 12.2095 k = 0.0125-0.0047-0.0021 ( 4065 PWs) bands (ev): -16.3825 -16.3824 -15.0081 -15.0076 -14.3875 -14.3871 -13.7977 -13.7976 -13.7145 -13.7141 -13.3303 -13.3297 -5.2625 -5.2622 -4.5352 -4.5350 -3.4768 -3.4762 -2.7801 -2.7726 -2.7267 -2.7210 -1.1909 -1.1830 -0.2751 -0.2735 0.0709 0.0891 0.3078 0.3159 1.1538 1.1633 1.4827 1.5020 1.9005 1.9049 2.2159 2.2237 2.3202 2.3226 2.4309 2.4318 2.7997 2.8003 2.9607 2.9612 3.1875 3.1877 3.3408 3.3411 8.2067 8.2412 9.9128 9.9394 10.4797 10.4977 10.9056 10.9229 12.2030 12.2161 k = 0.0250-0.0093-0.0042 ( 4065 PWs) bands (ev): -16.3811 -16.3809 -15.0083 -15.0073 -14.3875 -14.3866 -13.7990 -13.7987 -13.7152 -13.7143 -13.3315 -13.3303 -5.2631 -5.2624 -4.5392 -4.5388 -3.4750 -3.4739 -2.7808 -2.7661 -2.7260 -2.7149 -1.1971 -1.1815 -0.2790 -0.2757 0.0591 0.0944 0.3051 0.3206 1.1515 1.1702 1.4746 1.5125 1.8892 1.8973 2.2191 2.2327 2.3235 2.3289 2.4323 2.4343 2.7984 2.7997 2.9608 2.9618 3.1870 3.1874 3.3408 3.3414 8.1886 8.2575 9.8963 9.9494 10.4700 10.5051 10.9056 10.9388 12.1966 12.2227 k = 0.0375-0.0140-0.0063 ( 4066 PWs) bands (ev): -16.3788 -16.3786 -15.0086 -15.0070 -14.3873 -14.3860 -13.8010 -13.8007 -13.7161 -13.7148 -13.3332 -13.3313 -5.2639 -5.2629 -4.5457 -4.5450 -3.4719 -3.4703 -2.7798 -2.7592 -2.7218 -2.7064 -1.2049 -1.1816 -0.2852 -0.2798 0.0462 0.0968 0.3038 0.3256 1.1507 1.1777 1.4682 1.5232 1.8733 1.8843 2.2263 2.2431 2.3291 2.3388 2.4352 2.4386 2.7964 2.7984 2.9613 2.9628 3.1863 3.1868 3.3409 3.3418 8.1701 8.2731 9.8777 9.9572 10.4607 10.5112 10.9118 10.9585 12.1904 12.2291 k = 0.0500-0.0186-0.0084 ( 4068 PWs) bands (ev): -16.3756 -16.3753 -15.0088 -15.0068 -14.3869 -14.3852 -13.8038 -13.8034 -13.7173 -13.7155 -13.3354 -13.3330 -5.2651 -5.2637 -4.5545 -4.5535 -3.4674 -3.4652 -2.7777 -2.7538 -2.7126 -2.6949 -1.2140 -1.1832 -0.2937 -0.2857 0.0331 0.0962 0.3038 0.3304 1.1510 1.1849 1.4639 1.5340 1.8539 1.8677 2.2363 2.2536 2.3366 2.3518 2.4399 2.4452 2.7940 2.7966 2.9621 2.9640 3.1853 3.1859 3.3413 3.3424 8.1511 8.2880 9.8573 9.9629 10.4523 10.5165 10.9237 10.9809 12.1844 12.2353 k = 0.0625-0.0233-0.0105 ( 4071 PWs) bands (ev): -16.3715 -16.3711 -15.0091 -15.0066 -14.3864 -14.3843 -13.8074 -13.8070 -13.7186 -13.7164 -13.3381 -13.3351 -5.2669 -5.2651 -4.5652 -4.5638 -3.4615 -3.4587 -2.7751 -2.7503 -2.6980 -2.6803 -1.2245 -1.1863 -0.3045 -0.2933 0.0203 0.0931 0.3052 0.3350 1.1518 1.1905 1.4626 1.5444 1.8324 1.8492 2.2477 2.2636 2.3454 2.3662 2.4469 2.4550 2.7911 2.7942 2.9632 2.9656 3.1839 3.1847 3.3418 3.3433 8.1319 8.3021 9.8351 9.9664 10.4451 10.5217 10.9409 11.0055 12.1787 12.2411 k = 0.0750-0.0279-0.0126 ( 4073 PWs) bands (ev): -16.3665 -16.3660 -15.0094 -15.0063 -14.3858 -14.3833 -13.8119 -13.8114 -13.7200 -13.7176 -13.3414 -13.3378 -5.2692 -5.2671 -4.5776 -4.5758 -3.4543 -3.4507 -2.7723 -2.7482 -2.6792 -2.6624 -1.2361 -1.1908 -0.3176 -0.3025 0.0083 0.0880 0.3077 0.3394 1.1525 1.1936 1.4645 1.5542 1.8096 1.8302 2.2592 2.2735 2.3547 2.3800 2.4567 2.4692 2.7879 2.7914 2.9646 2.9675 3.1821 3.1830 3.3426 3.3444 8.1125 8.3155 9.8116 9.9679 10.4396 10.5277 10.9624 11.0314 12.1731 12.2463 k = 0.0875-0.0326-0.0147 ( 4072 PWs) bands (ev): -16.3606 -16.3600 -15.0097 -15.0061 -14.3852 -14.3823 -13.8172 -13.8166 -13.7214 -13.7188 -13.3451 -13.3409 -5.2723 -5.2698 -4.5913 -4.5889 -3.4458 -3.4413 -2.7694 -2.7467 -2.6573 -2.6415 -1.2486 -1.1966 -0.3326 -0.3133 -0.0026 0.0815 0.3109 0.3434 1.1523 1.1932 1.4699 1.5630 1.7869 1.8119 2.2699 2.2835 2.3638 2.3918 2.4698 2.4879 2.7847 2.7884 2.9664 2.9697 3.1800 3.1809 3.3438 3.3458 8.0931 8.3282 9.7868 9.9677 10.4358 10.5352 10.9873 11.0583 12.1676 12.2510 k = 0.1000-0.0373-0.0168 ( 4072 PWs) bands (ev): -16.3538 -16.3531 -15.0100 -15.0060 -14.3845 -14.3812 -13.8233 -13.8226 -13.7229 -13.7201 -13.3493 -13.3446 -5.2764 -5.2734 -4.6058 -4.6028 -3.4358 -3.4305 -2.7667 -2.7454 -2.6333 -2.6179 -1.2619 -1.2035 -0.3494 -0.3254 -0.0121 0.0741 0.3146 0.3471 1.1504 1.1892 1.4782 1.5703 1.7653 1.7953 2.2796 2.2937 2.3720 2.4013 2.4861 2.5102 2.7817 2.7856 2.9684 2.9722 3.1774 3.1784 3.3453 3.3476 8.0738 8.3401 9.7612 9.9658 10.4338 10.5447 11.0147 11.0857 12.1622 12.2548 k = 0.1125-0.0419-0.0189 ( 4072 PWs) bands (ev): -16.3461 -16.3454 -15.0103 -15.0059 -14.3838 -14.3802 -13.8301 -13.8292 -13.7244 -13.7214 -13.3538 -13.3486 -5.2815 -5.2781 -4.6207 -4.6170 -3.4246 -3.4182 -2.7640 -2.7440 -2.6076 -2.5921 -1.2757 -1.2113 -0.3675 -0.3386 -0.0202 0.0665 0.3185 0.3504 1.1459 1.1820 1.4880 1.5758 1.7459 1.7812 2.2885 2.3040 2.3793 2.4091 2.5048 2.5346 2.7796 2.7833 2.9708 2.9751 3.1744 3.1756 3.3472 3.3497 8.0547 8.3512 9.7351 9.9625 10.4338 10.5565 11.0440 11.1134 12.1567 12.2579 k = 0.1250-0.0466-0.0210 ( 4072 PWs) bands (ev): -16.3377 -16.3368 -15.0107 -15.0058 -14.3833 -14.3793 -13.8377 -13.8365 -13.7258 -13.7228 -13.3588 -13.3531 -5.2879 -5.2841 -4.6356 -4.6312 -3.4121 -3.4045 -2.7613 -2.7425 -2.5808 -2.5647 -1.2897 -1.2197 -0.3865 -0.3528 -0.0270 0.0589 0.3222 0.3533 1.1378 1.1724 1.4975 1.5795 1.7296 1.7704 2.2968 2.3138 2.3858 2.4159 2.5250 2.5588 2.7790 2.7826 2.9734 2.9784 3.1711 3.1725 3.3495 3.3523 8.0361 8.3617 9.7087 9.9582 10.4357 10.5708 11.0746 11.1411 12.1512 12.2602 k = 0.1375-0.0512-0.0231 ( 4074 PWs) bands (ev): -16.3284 -16.3274 -15.0111 -15.0058 -14.3828 -14.3785 -13.8459 -13.8444 -13.7272 -13.7241 -13.3642 -13.3580 -5.2957 -5.2915 -4.6502 -4.6451 -3.3983 -3.3896 -2.7586 -2.7408 -2.5533 -2.5365 -1.3035 -1.2285 -0.4061 -0.3678 -0.0324 0.0517 0.3257 0.3558 1.1254 1.1612 1.5043 1.5821 1.7170 1.7633 2.3047 2.3232 2.3917 2.4221 2.5450 2.5807 2.7804 2.7854 2.9763 2.9821 3.1676 3.1694 3.3523 3.3552 8.0182 8.3713 9.6824 9.9529 10.4396 10.5874 11.1060 11.1687 12.1454 12.2616 k = 0.1500-0.0559-0.0252 ( 4072 PWs) bands (ev): -16.3183 -16.3173 -15.0116 -15.0059 -14.3826 -14.3780 -13.8547 -13.8528 -13.7285 -13.7254 -13.3698 -13.3632 -5.3050 -5.3004 -4.6640 -4.6581 -3.3834 -3.3733 -2.7558 -2.7388 -2.5256 -2.5079 -1.3167 -1.2371 -0.4257 -0.3833 -0.0368 0.0451 0.3287 0.3579 1.1090 1.1488 1.5067 1.5839 1.7086 1.7596 2.3122 2.3319 2.3972 2.4280 2.5632 2.5979 2.7846 2.7937 2.9794 2.9861 3.1642 3.1665 3.3554 3.3585 8.0009 8.3803 9.6565 9.9470 10.4453 10.6062 11.1378 11.1962 12.1394 12.2621 k = 0.1625-0.0605-0.0273 ( 4076 PWs) bands (ev): -16.3075 -16.3064 -15.0122 -15.0061 -14.3827 -14.3778 -13.8638 -13.8615 -13.7298 -13.7266 -13.3758 -13.3688 -5.3160 -5.3109 -4.6767 -4.6702 -3.3675 -3.3560 -2.7528 -2.7365 -2.4981 -2.4796 -1.3288 -1.2453 -0.4451 -0.3991 -0.0402 0.0391 0.3310 0.3597 1.0892 1.1347 1.5046 1.5848 1.7049 1.7588 2.3193 2.3400 2.4023 2.4335 2.5778 2.6088 2.7932 2.8084 2.9826 2.9906 3.1611 3.1640 3.3590 3.3622 7.9847 8.3884 9.6312 9.9406 10.4527 10.6268 11.1697 11.2235 12.1330 12.2619 k = 0.1750-0.0652-0.0294 ( 4073 PWs) bands (ev): -16.2959 -16.2948 -15.0129 -15.0063 -14.3831 -14.3779 -13.8731 -13.8705 -13.7310 -13.7278 -13.3821 -13.3746 -5.3286 -5.3230 -4.6882 -4.6810 -3.3506 -3.3376 -2.7496 -2.7338 -2.4714 -2.4521 -1.3395 -1.2526 -0.4639 -0.4150 -0.0428 0.0337 0.3325 0.3611 1.0669 1.1186 1.4992 1.5836 1.7057 1.7598 2.3262 2.3475 2.4070 2.4387 2.5873 2.6129 2.8074 2.8292 2.9861 2.9956 3.1585 3.1625 3.3630 3.3663 7.9695 8.3958 9.6067 9.9338 10.4618 10.6490 11.2016 11.2506 12.1263 12.2608 k = 0.1875-0.0698-0.0315 ( 4074 PWs) bands (ev): -16.2837 -16.2825 -15.0136 -15.0068 -14.3840 -14.3786 -13.8825 -13.8796 -13.7321 -13.7290 -13.3885 -13.3808 -5.3428 -5.3368 -4.6983 -4.6905 -3.3329 -3.3184 -2.7461 -2.7308 -2.4459 -2.4259 -1.3482 -1.2584 -0.4819 -0.4308 -0.0449 0.0291 0.3330 0.3622 1.0429 1.1003 1.4923 1.5798 1.7100 1.7616 2.3328 2.3546 2.4112 2.4433 2.5913 2.6113 2.8272 2.8544 2.9898 3.0014 3.1567 3.1623 3.3674 3.3708 7.9556 8.4024 9.5833 9.9269 10.4723 10.6724 11.2332 11.2775 12.1191 12.2590 k = 0.2000-0.0745-0.0336 ( 4073 PWs) bands (ev): -16.2709 -16.2696 -15.0145 -15.0073 -14.3854 -14.3797 -13.8919 -13.8887 -13.7332 -13.7301 -13.3952 -13.3871 -5.3585 -5.3522 -4.7069 -4.6986 -3.3147 -3.2987 -2.7422 -2.7272 -2.4220 -2.4014 -1.3544 -1.2624 -0.4990 -0.4464 -0.0465 0.0251 0.3326 0.3630 1.0178 1.0799 1.4850 1.5739 1.7159 1.7633 2.3394 2.3614 2.4146 2.4471 2.5905 2.6058 2.8516 2.8815 2.9938 3.0082 3.1561 3.1641 3.3722 3.3756 7.9431 8.4082 9.5610 9.9198 10.4840 10.6967 11.2644 11.3043 12.1115 12.2564 k = 0.2125-0.0792-0.0358 ( 4070 PWs) bands (ev): -16.2574 -16.2561 -15.0156 -15.0080 -14.3873 -14.3815 -13.9011 -13.8976 -13.7343 -13.7311 -13.4021 -13.3937 -5.3756 -5.3689 -4.7140 -4.7053 -3.2960 -3.2785 -2.7378 -2.7232 -2.4001 -2.3791 -1.3576 -1.2641 -0.5151 -0.4616 -0.0478 0.0216 0.3310 0.3636 0.9920 1.0576 1.4781 1.5665 1.7219 1.7643 2.3458 2.3678 2.4170 2.4497 2.5857 2.5979 2.8787 2.9079 2.9984 3.0168 3.1571 3.1687 3.3775 3.3809 7.9321 8.4131 9.5401 9.9125 10.4967 10.7216 11.2951 11.3310 12.1036 12.2532 k = 0.2250-0.0838-0.0379 ( 4073 PWs) bands (ev): -16.2435 -16.2421 -15.0168 -15.0090 -14.3899 -14.3840 -13.9098 -13.9061 -13.7353 -13.7321 -13.4091 -13.4004 -5.3939 -5.3869 -4.7196 -4.7106 -3.2771 -3.2582 -2.7329 -2.7185 -2.3806 -2.3590 -1.3576 -1.2630 -0.5301 -0.4763 -0.0490 0.0187 0.3285 0.3637 0.9658 1.0339 1.4718 1.5584 1.7264 1.7642 2.3523 2.3738 2.4181 2.4509 2.5781 2.5893 2.9060 2.9313 3.0043 3.0275 3.1601 3.1769 3.3833 3.3867 7.9227 8.4170 9.5207 9.9052 10.5103 10.7466 11.3251 11.3576 12.0952 12.2492 k = 0.2375-0.0885-0.0400 ( 4076 PWs) bands (ev): -16.2290 -16.2277 -15.0181 -15.0101 -14.3933 -14.3872 -13.9181 -13.9142 -13.7362 -13.7330 -13.4161 -13.4073 -5.4132 -5.4059 -4.7239 -4.7146 -3.2584 -3.2381 -2.7274 -2.7133 -2.3637 -2.3415 -1.3540 -1.2590 -0.5439 -0.4906 -0.0501 0.0161 0.3249 0.3635 0.9396 1.0092 1.4663 1.5497 1.7283 1.7629 2.3588 2.3792 2.4179 2.4504 2.5688 2.5810 2.9303 2.9502 3.0127 3.0402 3.1658 3.1898 3.3896 3.3933 7.9150 8.4199 9.5029 9.8976 10.5245 10.7714 11.3545 11.3841 12.0866 12.2445 k = 0.2500-0.0931-0.0421 ( 4076 PWs) bands (ev): -16.2142 -16.2128 -15.0197 -15.0114 -14.3973 -14.3912 -13.9258 -13.9217 -13.7372 -13.7339 -13.4233 -13.4143 -5.4332 -5.4258 -4.7269 -4.7174 -3.2400 -3.2184 -2.7212 -2.7074 -2.3493 -2.3265 -1.3465 -1.2519 -0.5565 -0.5042 -0.0512 0.0140 0.3205 0.3629 0.9137 0.9837 1.4615 1.5410 1.7268 1.7604 2.3654 2.3832 2.4165 2.4481 2.5591 2.5736 2.9482 2.9643 3.0255 3.0539 3.1750 3.2077 3.3967 3.4009 7.9092 8.4217 9.4869 9.8898 10.5392 10.7956 11.3830 11.4104 12.0778 12.2392 k = 0.2625-0.0978-0.0442 ( 4078 PWs) bands (ev): -16.1990 -16.1975 -15.0214 -15.0130 -14.4021 -14.3960 -13.9327 -13.9285 -13.7380 -13.7348 -13.4305 -13.4214 -5.4537 -5.4461 -4.7288 -4.7193 -3.2221 -3.1995 -2.7142 -2.7008 -2.3373 -2.3140 -1.3353 -1.2416 -0.5681 -0.5173 -0.0525 0.0121 0.3152 0.3619 0.8883 0.9579 1.4573 1.5322 1.7217 1.7566 2.3716 2.3846 2.4147 2.4446 2.5502 2.5671 2.9595 2.9736 3.0423 3.0669 3.1884 3.2301 3.4046 3.4100 7.9051 8.4223 9.4727 9.8817 10.5542 10.8189 11.4107 11.4365 12.0689 12.2331 k = 0.2750-0.1024-0.0463 ( 4078 PWs) bands (ev): -16.1835 -16.1820 -15.0234 -15.0149 -14.4077 -14.4015 -13.9388 -13.9346 -13.7389 -13.7356 -13.4377 -13.4285 -5.4745 -5.4669 -4.7298 -4.7203 -3.2052 -3.1818 -2.7066 -2.6936 -2.3276 -2.3037 -1.3203 -1.2283 -0.5785 -0.5299 -0.0539 0.0104 0.3092 0.3604 0.8635 0.9321 1.4535 1.5235 1.7130 1.7513 2.3759 2.3832 2.4128 2.4415 2.5426 2.5619 2.9664 2.9791 3.0601 3.0785 3.2066 3.2555 3.4136 3.4212 7.9030 8.4216 9.4604 9.8733 10.5693 10.8408 11.4374 11.4622 12.0600 12.2263 k = 0.2875-0.1071-0.0484 ( 4080 PWs) bands (ev): -16.1678 -16.1664 -15.0256 -15.0170 -14.4139 -14.4078 -13.9441 -13.9399 -13.7397 -13.7364 -13.4448 -13.4356 -5.4954 -5.4877 -4.7300 -4.7205 -3.1894 -3.1654 -2.6982 -2.6857 -2.3198 -2.2952 -1.3019 -1.2122 -0.5878 -0.5419 -0.0555 0.0088 0.3026 0.3584 0.8396 0.9066 1.4498 1.5148 1.7009 1.7443 2.3719 2.3839 2.4102 2.4413 2.5366 2.5578 2.9706 2.9822 3.0758 3.0886 3.2290 3.2816 3.4241 3.4353 7.9028 8.4195 9.4502 9.8644 10.5844 10.8612 11.4632 11.4874 12.0512 12.2188 k = 0.3000-0.1118-0.0505 ( 4085 PWs) bands (ev): -16.1521 -16.1506 -15.0281 -15.0194 -14.4208 -14.4147 -13.9485 -13.9443 -13.7405 -13.7372 -13.4519 -13.4427 -5.5160 -5.5084 -4.7295 -4.7202 -3.1750 -3.1506 -2.6892 -2.6774 -2.3134 -2.2882 -1.2803 -1.1936 -0.5962 -0.5534 -0.0573 0.0073 0.2956 0.3559 0.8168 0.8817 1.4458 1.5062 1.6862 1.7354 2.3622 2.3824 2.4093 2.4447 2.5321 2.5546 2.9733 2.9840 3.0885 3.0976 3.2542 3.3062 3.4366 3.4530 7.9045 8.4158 9.4422 9.8549 10.5995 10.8795 11.4880 11.5120 12.0426 12.2106 k = 0.3125-0.1164-0.0526 ( 4087 PWs) bands (ev): -16.1363 -16.1348 -15.0307 -15.0221 -14.4282 -14.4222 -13.9519 -13.9478 -13.7412 -13.7379 -13.4588 -13.4498 -5.5363 -5.5287 -4.7285 -4.7194 -3.1620 -3.1377 -2.6798 -2.6686 -2.3078 -2.2822 -1.2561 -1.1730 -0.6037 -0.5644 -0.0591 0.0058 0.2881 0.3528 0.7951 0.8575 1.4413 1.4977 1.6693 1.7248 2.3505 2.3744 2.4127 2.4501 2.5287 2.5522 2.9751 2.9850 3.0985 3.1057 3.2800 3.3276 3.4519 3.4749 7.9081 8.4106 9.4364 9.8448 10.6144 10.8956 11.5118 11.5360 12.0344 12.2016 k = 0.3250-0.1211-0.0547 ( 4091 PWs) bands (ev): -16.1206 -16.1192 -15.0336 -15.0251 -14.4360 -14.4301 -13.9546 -13.9506 -13.7419 -13.7386 -13.4656 -13.4567 -5.5560 -5.5485 -4.7271 -4.7183 -3.1506 -3.1266 -2.6702 -2.6597 -2.3026 -2.2767 -1.2297 -1.1508 -0.6103 -0.5749 -0.0608 0.0042 0.2804 0.3491 0.7747 0.8344 1.4359 1.4890 1.6510 1.7126 2.3379 2.3628 2.4185 2.4566 2.5262 2.5504 2.9763 2.9855 3.1067 3.1131 3.3042 3.3453 3.4705 3.5006 7.9137 8.4036 9.4329 9.8340 10.6292 10.9093 11.5345 11.5591 12.0265 12.1920 k = 0.3375-0.1257-0.0568 ( 4092 PWs) bands (ev): -16.1052 -16.1037 -15.0367 -15.0283 -14.4440 -14.4383 -13.9565 -13.9526 -13.7425 -13.7393 -13.4722 -13.4634 -5.5749 -5.5677 -4.7253 -4.7169 -3.1409 -3.1175 -2.6607 -2.6508 -2.2972 -2.2713 -1.2016 -1.1275 -0.6163 -0.5850 -0.0624 0.0027 0.2726 0.3448 0.7556 0.8124 1.4294 1.4799 1.6322 1.6993 2.3252 2.3500 2.4251 2.4632 2.5245 2.5490 2.9771 2.9858 3.1135 3.1196 3.3256 3.3594 3.4927 3.5291 7.9211 8.3949 9.4317 9.8225 10.6438 10.9202 11.5561 11.5813 12.0191 12.1817 k = 0.3500-0.1304-0.0589 ( 4091 PWs) bands (ev): -16.0901 -16.0886 -15.0399 -15.0318 -14.4522 -14.4467 -13.9577 -13.9540 -13.7431 -13.7400 -13.4785 -13.4700 -5.5929 -5.5860 -4.7234 -4.7153 -3.1328 -3.1102 -2.6514 -2.6423 -2.2913 -2.2657 -1.1724 -1.1037 -0.6217 -0.5946 -0.0638 0.0012 0.2647 0.3398 0.7381 0.7917 1.4214 1.4700 1.6138 1.6853 2.3128 2.3370 2.4317 2.4695 2.5234 2.5480 2.9777 2.9859 3.1195 3.1254 3.3435 3.3708 3.5181 3.5591 7.9303 8.3844 9.4329 9.8101 10.6583 10.9283 11.5765 11.6027 12.0123 12.1707 k = 0.3625-0.1350-0.0610 ( 4091 PWs) bands (ev): -16.0754 -16.0740 -15.0433 -15.0355 -14.4604 -14.4551 -13.9582 -13.9547 -13.7437 -13.7406 -13.4845 -13.4764 -5.6099 -5.6033 -4.7213 -4.7137 -3.1262 -3.1048 -2.6428 -2.6343 -2.2846 -2.2596 -1.1425 -1.0797 -0.6268 -0.6038 -0.0646 -0.0002 0.2569 0.3341 0.7222 0.7723 1.4120 1.4587 1.5970 1.6710 2.3010 2.3243 2.4382 2.4751 2.5231 2.5472 2.9781 2.9858 3.1247 3.1304 3.3582 3.3802 3.5458 3.5893 7.9413 8.3721 9.4365 9.7968 10.6726 10.9334 11.5958 11.6230 12.0060 12.1591 k = 0.3750-0.1397-0.0631 ( 4089 PWs) bands (ev): -16.0613 -16.0600 -15.0468 -15.0393 -14.4684 -14.4633 -13.9582 -13.9550 -13.7442 -13.7412 -13.4901 -13.4824 -5.6258 -5.6195 -4.7191 -4.7120 -3.1210 -3.1009 -2.6349 -2.6271 -2.2770 -2.2529 -1.1127 -1.0560 -0.6319 -0.6123 -0.0648 -0.0014 0.2492 0.3275 0.7079 0.7544 1.4012 1.4454 1.5828 1.6568 2.2902 2.3123 2.4443 2.4798 2.5236 2.5468 2.9785 2.9857 3.1294 3.1348 3.3702 3.3880 3.5746 3.6187 7.9540 8.3580 9.4424 9.7826 10.6869 10.9357 11.6140 11.6423 12.0005 12.1469 k = 0.3875-0.1443-0.0652 ( 4086 PWs) bands (ev): -16.0480 -16.0467 -15.0502 -15.0432 -14.4760 -14.4713 -13.9579 -13.9549 -13.7446 -13.7418 -13.4954 -13.4882 -5.6403 -5.6346 -4.7169 -4.7104 -3.1169 -3.0984 -2.6280 -2.6209 -2.2684 -2.2457 -1.0833 -1.0330 -0.6373 -0.6200 -0.0642 -0.0023 0.2418 0.3200 0.6954 0.7380 1.3892 1.4301 1.5716 1.6432 2.2804 2.3012 2.4499 2.4832 2.5249 2.5466 2.9788 2.9855 3.1336 3.1386 3.3801 3.3947 3.6035 3.6465 7.9683 8.3423 9.4505 9.7674 10.7011 10.9350 11.6310 11.6604 11.9957 12.1343 k = 0.4000-0.1490-0.0673 ( 4086 PWs) bands (ev): -16.0355 -16.0343 -15.0536 -15.0472 -14.4831 -14.4788 -13.9571 -13.9544 -13.7450 -13.7424 -13.5002 -13.4935 -5.6535 -5.6483 -4.7148 -4.7089 -3.1139 -3.0971 -2.6220 -2.6156 -2.2591 -2.2381 -1.0549 -1.0111 -0.6431 -0.6267 -0.0627 -0.0031 0.2348 0.3117 0.6846 0.7232 1.3765 1.4130 1.5637 1.6304 2.2718 2.2909 2.4549 2.4854 2.5270 2.5466 2.9791 2.9853 3.1372 3.1418 3.3884 3.4004 3.6316 3.6722 7.9841 8.3250 9.4608 9.7513 10.7155 10.9317 11.6470 11.6772 11.9918 12.1212 k = 0.4125-0.1537-0.0694 ( 4083 PWs) bands (ev): -16.0240 -16.0230 -15.0569 -15.0510 -14.4897 -14.4858 -13.9562 -13.9538 -13.7453 -13.7429 -13.5045 -13.4984 -5.6653 -5.6606 -4.7128 -4.7075 -3.1117 -3.0968 -2.6170 -2.6114 -2.2493 -2.2303 -1.0282 -0.9906 -0.6494 -0.6327 -0.0602 -0.0036 0.2285 0.3025 0.6757 0.7099 1.3635 1.3949 1.5586 1.6187 2.2644 2.2817 2.4594 2.4864 2.5297 2.5468 2.9795 2.9850 3.1404 3.1445 3.3954 3.4054 3.6580 3.6954 8.0013 8.3062 9.4730 9.7343 10.7300 10.9258 11.6620 11.6923 11.9890 12.1077 k = 0.4250-0.1583-0.0715 ( 4085 PWs) bands (ev): -16.0137 -16.0128 -15.0599 -15.0547 -14.4955 -14.4921 -13.9552 -13.9531 -13.7456 -13.7434 -13.5082 -13.5029 -5.6756 -5.6715 -4.7109 -4.7063 -3.1101 -3.0971 -2.6129 -2.6081 -2.2395 -2.2228 -1.0034 -0.9718 -0.6557 -0.6383 -0.0567 -0.0041 0.2232 0.2925 0.6685 0.6982 1.3509 1.3770 1.5558 1.6081 2.2582 2.2734 2.4633 2.4865 2.5327 2.5470 2.9799 2.9847 3.1432 3.1468 3.4014 3.4095 3.6823 3.7156 8.0199 8.2862 9.4871 9.7164 10.7447 10.9176 11.6759 11.7055 11.9874 12.0940 k = 0.4375-0.1630-0.0736 ( 4088 PWs) bands (ev): -16.0047 -16.0039 -15.0625 -15.0581 -14.5006 -14.4976 -13.9541 -13.9523 -13.7457 -13.7439 -13.5114 -13.5068 -5.6844 -5.6809 -4.7092 -4.7053 -3.1090 -3.0980 -2.6097 -2.6056 -2.2300 -2.2158 -0.9813 -0.9550 -0.6615 -0.6437 -0.0521 -0.0047 0.2192 0.2818 0.6630 0.6881 1.3390 1.3601 1.5548 1.5986 2.2532 2.2662 2.4667 2.4860 2.5358 2.5474 2.9803 2.9844 3.1455 3.1485 3.4064 3.4129 3.7041 3.7327 8.0396 8.2651 9.5027 9.6977 10.7597 10.9075 11.6887 11.7166 11.9875 12.0802 k = 0.4500-0.1676-0.0757 ( 4086 PWs) bands (ev): -15.9972 -15.9965 -15.0648 -15.0612 -14.5047 -14.5023 -13.9531 -13.9516 -13.7459 -13.7443 -13.5139 -13.5102 -5.6915 -5.6887 -4.7076 -4.7045 -3.1080 -3.0992 -2.6071 -2.6038 -2.2213 -2.2097 -0.9620 -0.9408 -0.6663 -0.6491 -0.0467 -0.0060 0.2170 0.2708 0.6591 0.6794 1.3287 1.3449 1.5551 1.5902 2.2494 2.2600 2.4697 2.4850 2.5386 2.5476 2.9807 2.9840 3.1475 3.1499 3.4105 3.4156 3.7229 3.7463 8.0604 8.2432 9.5198 9.6783 10.7750 10.8957 11.7003 11.7251 11.9893 12.0664 k = 0.4625-0.1723-0.0778 ( 4088 PWs) bands (ev): -15.9911 -15.9906 -15.0665 -15.0638 -14.5080 -14.5061 -13.9522 -13.9511 -13.7459 -13.7447 -13.5159 -13.5130 -5.6970 -5.6949 -4.7063 -4.7040 -3.1072 -3.1005 -2.6051 -2.6027 -2.2138 -2.2050 -0.9459 -0.9297 -0.6695 -0.6546 -0.0405 -0.0081 0.2168 0.2597 0.6569 0.6721 1.3204 1.3321 1.5565 1.5829 2.2468 2.2549 2.4724 2.4838 2.5412 2.5477 2.9811 2.9837 3.1490 3.1509 3.4138 3.4176 3.7385 3.7564 8.0820 8.2205 9.5380 9.6584 10.7905 10.8825 11.7106 11.7309 11.9932 12.0529 k = 0.4750-0.1769-0.0799 ( 4086 PWs) bands (ev): -15.9867 -15.9863 -15.0677 -15.0658 -14.5102 -14.5090 -13.9514 -13.9507 -13.7459 -13.7450 -13.5171 -13.5152 -5.7008 -5.6994 -4.7053 -4.7037 -3.1064 -3.1019 -2.6037 -2.6020 -2.2077 -2.2018 -0.9333 -0.9222 -0.6710 -0.6598 -0.0339 -0.0113 0.2190 0.2489 0.6560 0.6663 1.3145 1.3222 1.5589 1.5764 2.2454 2.2508 2.4747 2.4823 2.5434 2.5476 2.9816 2.9833 3.1502 3.1514 3.4164 3.4188 3.7507 3.7627 8.1044 8.1974 9.5571 9.6382 10.8062 10.8682 11.7194 11.7338 11.9991 12.0398 k = 0.4875-0.1816-0.0820 ( 4088 PWs) bands (ev): -15.9840 -15.9838 -15.0682 -15.0673 -14.5114 -14.5108 -13.9509 -13.9505 -13.7457 -13.7453 -13.5176 -13.5167 -5.7030 -5.7023 -4.7045 -4.7037 -3.1055 -3.1032 -2.6027 -2.6018 -2.2034 -2.2004 -0.9244 -0.9187 -0.6706 -0.6646 -0.0274 -0.0157 0.2236 0.2390 0.6566 0.6618 1.3116 1.3154 1.5621 1.5709 2.2451 2.2478 2.4769 2.4806 2.5451 2.5472 2.9820 2.9829 3.1510 3.1516 3.4181 3.4194 3.7593 3.7653 8.1273 8.1740 9.5769 9.6177 10.8220 10.8532 11.7264 11.7339 12.0069 12.0276 k = 0.5000-0.1863-0.0841 ( 4088 PWs) bands (ev): -15.9830 -15.9830 -15.0681 -15.0681 -14.5116 -14.5116 -13.9506 -13.9506 -13.7456 -13.7456 -13.5175 -13.5175 -5.7035 -5.7035 -4.7040 -4.7040 -3.1044 -3.1044 -2.6021 -2.6021 -2.2009 -2.2009 -0.9195 -0.9195 -0.6683 -0.6683 -0.0211 -0.0211 0.2304 0.2304 0.6585 0.6585 1.3119 1.3119 1.5661 1.5661 2.2459 2.2459 2.4788 2.4788 2.5463 2.5463 2.9824 2.9824 3.1515 3.1515 3.4191 3.4191 3.7642 3.7642 8.1506 8.1506 9.5972 9.5972 10.8377 10.8377 11.7313 11.7313 12.0165 12.0165 k = 0.5000-0.1863 0.2626 ( 4080 PWs) bands (ev): -15.9377 -15.9377 -15.0463 -15.0463 -14.7153 -14.7153 -13.9242 -13.9242 -13.6993 -13.6993 -13.4398 -13.4398 -5.9305 -5.9305 -4.2965 -4.2965 -2.8021 -2.8021 -2.7424 -2.7424 -2.4412 -2.4412 -1.2646 -1.2646 -0.6231 -0.6231 0.0510 0.0510 0.2391 0.2391 0.5008 0.5008 1.1843 1.1843 1.9431 1.9431 2.2045 2.2045 2.3612 2.3612 2.6897 2.6897 3.0953 3.0953 3.2149 3.2149 3.3983 3.3983 3.6076 3.6076 8.2214 8.2214 9.6857 9.6857 11.0383 11.0383 11.6127 11.6127 11.8497 11.8497 k = 0.4884-0.1819 0.2565 ( 4081 PWs) bands (ev): -15.9386 -15.9384 -15.0479 -15.0469 -14.7137 -14.7124 -13.9246 -13.9242 -13.6995 -13.6992 -13.4399 -13.4396 -5.9299 -5.9290 -4.2977 -4.2971 -2.8074 -2.8011 -2.7460 -2.7387 -2.4411 -2.4371 -1.2670 -1.2629 -0.6278 -0.6181 0.0317 0.0579 0.2327 0.2546 0.4996 0.5052 1.1824 1.1884 1.9423 1.9445 2.2030 2.2069 2.3599 2.3616 2.6897 2.6916 3.0930 3.0960 3.2134 3.2143 3.3978 3.3986 3.6042 3.6100 8.2068 8.2349 9.6777 9.6929 11.0310 11.0436 11.6111 11.6139 11.8492 11.8521 k = 0.4767-0.1776 0.2504 ( 4081 PWs) bands (ev): -15.9410 -15.9405 -15.0515 -15.0495 -14.7079 -14.7053 -13.9253 -13.9245 -13.6998 -13.6993 -13.4401 -13.4394 -5.9272 -5.9255 -4.3006 -4.2994 -2.8165 -2.8050 -2.7485 -2.7355 -2.4368 -2.4291 -1.2701 -1.2617 -0.6323 -0.6128 0.0045 0.0508 0.2366 0.2753 0.5014 0.5128 1.1827 1.1947 1.9422 1.9465 2.2024 2.2101 2.3576 2.3610 2.6917 2.6954 3.0891 3.0951 3.2097 3.2114 3.3971 3.3987 3.6000 3.6114 8.1913 8.2471 9.6688 9.6992 11.0218 11.0469 11.6091 11.6146 11.8507 11.8564 k = 0.4651-0.1733 0.2443 ( 4078 PWs) bands (ev): -15.9448 -15.9441 -15.0567 -15.0539 -14.6980 -14.6944 -13.9263 -13.9251 -13.7003 -13.6995 -13.4402 -13.4392 -5.9226 -5.9199 -4.3052 -4.3034 -2.8286 -2.8135 -2.7499 -2.7332 -2.4284 -2.4178 -1.2739 -1.2611 -0.6363 -0.6072 -0.0270 0.0329 0.2472 0.2978 0.5065 0.5233 1.1852 1.2031 1.9427 1.9489 2.2025 2.2141 2.3545 2.3595 2.6956 2.7009 3.0836 3.0925 3.2038 3.2062 3.3962 3.3985 3.5950 3.6118 8.1750 8.2582 9.6593 9.7047 11.0107 11.0483 11.6068 11.6147 11.8541 11.8624 k = 0.4535-0.1689 0.2382 ( 4074 PWs) bands (ev): -15.9500 -15.9491 -15.0632 -15.0597 -14.6846 -14.6800 -13.9277 -13.9261 -13.7008 -13.6998 -13.4402 -13.4390 -5.9159 -5.9124 -4.3114 -4.3092 -2.8432 -2.8255 -2.7505 -2.7319 -2.4168 -2.4040 -1.2786 -1.2610 -0.6397 -0.6011 -0.0604 0.0090 0.2597 0.3199 0.5148 0.5368 1.1900 1.2138 1.9440 1.9520 2.2033 2.2188 2.3507 2.3575 2.7011 2.7078 3.0768 3.0884 3.1959 3.1989 3.3951 3.3980 3.5893 3.6111 8.1580 8.2678 9.6491 9.7094 10.9977 11.0478 11.6041 11.6142 11.8592 11.8700 k = 0.4419-0.1646 0.2321 ( 4075 PWs) bands (ev): -15.9567 -15.9555 -15.0705 -15.0665 -14.6681 -14.6628 -13.9293 -13.9274 -13.7015 -13.7003 -13.4402 -13.4386 -5.9072 -5.9028 -4.3192 -4.3165 -2.8597 -2.8401 -2.7508 -2.7314 -2.4025 -2.3883 -1.2842 -1.2615 -0.6423 -0.5943 -0.0943 -0.0178 0.2713 0.3400 0.5262 0.5525 1.1972 1.2268 1.9462 1.9557 2.2046 2.2238 2.3464 2.3551 2.7079 2.7157 3.0686 3.0828 3.1860 3.1893 3.3939 3.3972 3.5830 3.6093 8.1403 8.2760 9.6386 9.7134 10.9828 11.0454 11.6010 11.6130 11.8660 11.8790 k = 0.4302-0.1603 0.2260 ( 4071 PWs) bands (ev): -15.9646 -15.9632 -15.0781 -15.0737 -14.6491 -14.6432 -13.9313 -13.9290 -13.7024 -13.7010 -13.4400 -13.4382 -5.8965 -5.8914 -4.3285 -4.3254 -2.8775 -2.8567 -2.7512 -2.7315 -2.3864 -2.3715 -1.2908 -1.2626 -0.6439 -0.5866 -0.1277 -0.0454 0.2806 0.3573 0.5403 0.5700 1.2069 1.2419 1.9493 1.9601 2.2061 2.2290 2.3420 2.3527 2.7157 2.7243 3.0595 3.0760 3.1742 3.1778 3.3925 3.3962 3.5761 3.6065 8.1223 8.2828 9.6278 9.7170 10.9662 11.0411 11.5975 11.6111 11.8743 11.8892 k = 0.4186-0.1559 0.2199 ( 4067 PWs) bands (ev): -15.9738 -15.9722 -15.0857 -15.0811 -14.6281 -14.6218 -13.9336 -13.9309 -13.7034 -13.7018 -13.4397 -13.4376 -5.8839 -5.8780 -4.3392 -4.3358 -2.8964 -2.8747 -2.7519 -2.7321 -2.3691 -2.3541 -1.2985 -1.2644 -0.6441 -0.5779 -0.1600 -0.0727 0.2876 0.3713 0.5566 0.5885 1.2192 1.2591 1.9533 1.9651 2.2077 2.2341 2.3376 2.3506 2.7239 2.7332 3.0494 3.0681 3.1607 3.1644 3.3910 3.3948 3.5689 3.6025 8.1040 8.2881 9.6170 9.7202 10.9481 11.0351 11.5935 11.6084 11.8839 11.9003 k = 0.4070-0.1516 0.2138 ( 4063 PWs) bands (ev): -15.9842 -15.9823 -15.0931 -15.0883 -14.6054 -14.5989 -13.9362 -13.9332 -13.7046 -13.7028 -13.4392 -13.4368 -5.8694 -5.8628 -4.3513 -4.3476 -2.9159 -2.8937 -2.7527 -2.7330 -2.3514 -2.3366 -1.3072 -1.2669 -0.6428 -0.5678 -0.1905 -0.0989 0.2923 0.3824 0.5739 0.6073 1.2340 1.2783 1.9582 1.9710 2.2090 2.2385 2.3338 2.3490 2.7321 2.7418 3.0387 3.0594 3.1456 3.1495 3.3891 3.3930 3.5612 3.5976 8.0855 8.2921 9.6064 9.7232 10.9284 11.0271 11.5889 11.6049 11.8945 11.9122 k = 0.3953-0.1473 0.2077 ( 4064 PWs) bands (ev): -15.9957 -15.9936 -15.1000 -15.0951 -14.5815 -14.5748 -13.9391 -13.9358 -13.7059 -13.7041 -13.4384 -13.4359 -5.8532 -5.8458 -4.3646 -4.3607 -2.9359 -2.9135 -2.7539 -2.7342 -2.3338 -2.3195 -1.3169 -1.2702 -0.6396 -0.5562 -0.2190 -0.1236 0.2950 0.3909 0.5914 0.6259 1.2512 1.2992 1.9638 1.9776 2.2098 2.2419 2.3311 2.3484 2.7397 2.7497 3.0277 3.0501 3.1293 3.1336 3.3868 3.3908 3.5534 3.5917 8.0671 8.2946 9.5962 9.7261 10.9074 11.0175 11.5836 11.6004 11.9060 11.9246 k = 0.3837-0.1429 0.2015 ( 4068 PWs) bands (ev): -16.0081 -16.0059 -15.1062 -15.1013 -14.5567 -14.5500 -13.9422 -13.9387 -13.7074 -13.7055 -13.4374 -13.4347 -5.8352 -5.8272 -4.3789 -4.3749 -2.9563 -2.9338 -2.7553 -2.7356 -2.3169 -2.3033 -1.3274 -1.2741 -0.6345 -0.5431 -0.2451 -0.1464 0.2962 0.3972 0.6081 0.6439 1.2708 1.3215 1.9699 1.9849 2.2098 2.2437 2.3300 2.3489 2.7461 2.7563 3.0166 3.0405 3.1120 3.1174 3.3838 3.3881 3.5453 3.5848 8.0489 8.2959 9.5866 9.7292 10.8852 11.0061 11.5775 11.5948 11.9182 11.9375 k = 0.3721-0.1386 0.1954 ( 4072 PWs) bands (ev): -16.0215 -16.0190 -15.1117 -15.1067 -14.5313 -14.5247 -13.9456 -13.9418 -13.7090 -13.7070 -13.4361 -13.4332 -5.8155 -5.8069 -4.3942 -4.3902 -2.9768 -2.9546 -2.7570 -2.7372 -2.3011 -2.2883 -1.3385 -1.2787 -0.6272 -0.5283 -0.2684 -0.1670 0.2962 0.4019 0.6237 0.6612 1.2924 1.3448 1.9761 1.9930 2.2090 2.2437 2.3310 2.3507 2.7507 2.7610 3.0057 3.0309 3.0942 3.1013 3.3799 3.3849 3.5372 3.5770 8.0310 8.2961 9.5777 9.7325 10.8621 10.9930 11.5703 11.5881 11.9309 11.9507 k = 0.3605-0.1343 0.1893 ( 4071 PWs) bands (ev): -16.0356 -16.0330 -15.1164 -15.1113 -14.5057 -14.4992 -13.9491 -13.9451 -13.7108 -13.7088 -13.4345 -13.4314 -5.7943 -5.7851 -4.4103 -4.4063 -2.9976 -2.9757 -2.7589 -2.7389 -2.2868 -2.2749 -1.3499 -1.2838 -0.6176 -0.5120 -0.2886 -0.1853 0.2951 0.4050 0.6378 0.6777 1.3156 1.3686 1.9822 2.0015 2.2072 2.2418 2.3342 2.3540 2.7529 2.7633 2.9953 3.0215 3.0767 3.0861 3.3748 3.3809 3.5292 3.5685 8.0137 8.2954 9.5698 9.7361 10.8381 10.9783 11.5619 11.5801 11.9441 11.9640 k = 0.3488-0.1299 0.1832 ( 4068 PWs) bands (ev): -16.0503 -16.0476 -15.1201 -15.1151 -14.4800 -14.4738 -13.9526 -13.9486 -13.7127 -13.7107 -13.4326 -13.4292 -5.7716 -5.7619 -4.4271 -4.4231 -3.0185 -2.9970 -2.7611 -2.7408 -2.2744 -2.2634 -1.3612 -1.2892 -0.6059 -0.4947 -0.3053 -0.2009 0.2934 0.4070 0.6505 0.6935 1.3401 1.3926 1.9876 2.0101 2.2044 2.2385 2.3394 2.3589 2.7521 2.7625 2.9855 3.0124 3.0604 3.0724 3.3682 3.3760 3.5213 3.5594 7.9972 8.2940 9.5629 9.7402 10.8135 10.9621 11.5523 11.5707 11.9576 11.9774 k = 0.3372-0.1256 0.1771 ( 4063 PWs) bands (ev): -16.0656 -16.0628 -15.1230 -15.1179 -14.4546 -14.4487 -13.9562 -13.9520 -13.7147 -13.7127 -13.4303 -13.4268 -5.7475 -5.7374 -4.4443 -4.4405 -3.0395 -3.0185 -2.7635 -2.7428 -2.2643 -2.2541 -1.3721 -1.2948 -0.5922 -0.4772 -0.3175 -0.2138 0.2911 0.4079 0.6619 0.7086 1.3652 1.4163 1.9918 2.0184 2.2008 2.2344 2.3463 2.3653 2.7480 2.7583 2.9764 3.0034 3.0462 3.0608 3.3600 3.3700 3.5137 3.5497 7.9816 8.2921 9.5573 9.7447 10.7884 10.9444 11.5413 11.5599 11.9712 11.9910 k = 0.3256-0.1213 0.1710 ( 4062 PWs) bands (ev): -16.0814 -16.0784 -15.1251 -15.1198 -14.4298 -14.4243 -13.9595 -13.9555 -13.7168 -13.7148 -13.4276 -13.4240 -5.7223 -5.7118 -4.4619 -4.4583 -3.0606 -3.0402 -2.7662 -2.7450 -2.2567 -2.2473 -1.3821 -1.3004 -0.5767 -0.4609 -0.3241 -0.2238 0.2885 0.4079 0.6723 0.7231 1.3906 1.4392 1.9945 2.0255 2.1966 2.2300 2.3545 2.3731 2.7406 2.7507 2.9678 2.9940 3.0354 3.0519 3.3499 3.3627 3.5065 3.5397 7.9671 8.2899 9.5530 9.7496 10.7630 10.9254 11.5289 11.5476 11.9849 12.0045 k = 0.3140-0.1170 0.1649 ( 4063 PWs) bands (ev): -16.0974 -16.0944 -15.1262 -15.1209 -14.4058 -14.4008 -13.9626 -13.9586 -13.7189 -13.7170 -13.4246 -13.4209 -5.6959 -5.6851 -4.4797 -4.4763 -3.0818 -3.0619 -2.7690 -2.7472 -2.2519 -2.2432 -1.3910 -1.3055 -0.5598 -0.4476 -0.3234 -0.2306 0.2858 0.4070 0.6821 0.7374 1.4157 1.4609 1.9951 2.0307 2.1924 2.2260 2.3639 2.3824 2.7302 2.7400 2.9596 2.9839 3.0286 3.0458 3.3379 3.3536 3.4996 3.5295 7.9540 8.2876 9.5502 9.7551 10.7376 10.9051 11.5150 11.5337 11.9986 12.0181 k = 0.3023-0.1126 0.1588 ( 4058 PWs) bands (ev): -16.1137 -16.1107 -15.1265 -15.1211 -14.3830 -14.3786 -13.9651 -13.9613 -13.7210 -13.7192 -13.4213 -13.4175 -5.6686 -5.6576 -4.4974 -4.4943 -3.1030 -3.0836 -2.7719 -2.7495 -2.2501 -2.2419 -1.3983 -1.3100 -0.5421 -0.4390 -0.3141 -0.2339 0.2830 0.4055 0.6916 0.7515 1.4401 1.4810 1.9933 2.0331 2.1886 2.2225 2.3743 2.3927 2.7173 2.7269 2.9517 2.9734 3.0254 3.0424 3.3239 3.3427 3.4930 3.5192 7.9424 8.2854 9.5489 9.7611 10.7122 10.8838 11.4996 11.5182 12.0121 12.0317 k = 0.2907-0.1083 0.1527 ( 4063 PWs) bands (ev): -16.1302 -16.1270 -15.1259 -15.1204 -14.3618 -14.3580 -13.9668 -13.9634 -13.7232 -13.7214 -13.4177 -13.4138 -5.6406 -5.6294 -4.5149 -4.5121 -3.1244 -3.1054 -2.7751 -2.7519 -2.2515 -2.2435 -1.4038 -1.3136 -0.5239 -0.4346 -0.2970 -0.2336 0.2803 0.4034 0.7012 0.7658 1.4634 1.4992 1.9887 2.0317 2.1859 2.2197 2.3854 2.4040 2.7029 2.7122 2.9443 2.9632 3.0249 3.0412 3.3078 3.3297 3.4867 3.5090 7.9325 8.2835 9.5492 9.7676 10.6870 10.8616 11.4826 11.5011 12.0254 12.0454 k = 0.2791-0.1040 0.1466 ( 4064 PWs) bands (ev): -16.1466 -16.1434 -15.1246 -15.1190 -14.3425 -14.3393 -13.9674 -13.9645 -13.7252 -13.7235 -13.4138 -13.4098 -5.6120 -5.6007 -4.5320 -4.5294 -3.1458 -3.1272 -2.7783 -2.7544 -2.2562 -2.2481 -1.4073 -1.3161 -0.5061 -0.4329 -0.2742 -0.2292 0.2779 0.4007 0.7113 0.7806 1.4850 1.5150 1.9811 2.0262 2.1847 2.2178 2.3970 2.4159 2.6877 2.6970 2.9376 2.9537 3.0259 3.0418 3.2899 3.3146 3.4806 3.4991 7.9244 8.2821 9.5512 9.7745 10.6623 10.8387 11.4643 11.4825 12.0384 12.0592 k = 0.2674-0.0996 0.1405 ( 4069 PWs) bands (ev): -16.1630 -16.1598 -15.1225 -15.1167 -14.3257 -14.3228 -13.9666 -13.9643 -13.7272 -13.7256 -13.4097 -13.4056 -5.5831 -5.5717 -4.5485 -4.5462 -3.1671 -3.1489 -2.7817 -2.7568 -2.2641 -2.2554 -1.4086 -1.3173 -0.4892 -0.4321 -0.2483 -0.2202 0.2758 0.3976 0.7221 0.7960 1.5049 1.5283 1.9707 2.0162 2.1852 2.2167 2.4086 2.4278 2.6728 2.6823 2.9317 2.9454 3.0276 3.0437 3.2702 3.2972 3.4745 3.4893 7.9183 8.2814 9.5548 9.7819 10.6381 10.8153 11.4445 11.4623 12.0510 12.0729 k = 0.2558-0.0953 0.1344 ( 4077 PWs) bands (ev): -16.1792 -16.1760 -15.1197 -15.1138 -14.3117 -14.3089 -13.9643 -13.9626 -13.7291 -13.7275 -13.4054 -13.4012 -5.5541 -5.5427 -4.5641 -4.5621 -3.1884 -3.1704 -2.7851 -2.7593 -2.2753 -2.2656 -1.4076 -1.3172 -0.4738 -0.4308 -0.2223 -0.2053 0.2741 0.3941 0.7339 0.8125 1.5225 1.5389 1.9574 2.0022 2.1873 2.2165 2.4199 2.4392 2.6590 2.6689 2.9267 2.9383 3.0294 3.0462 3.2491 3.2777 3.4683 3.4797 7.9143 8.2812 9.5602 9.7898 10.6146 10.7917 11.4233 11.4407 12.0630 12.0867 k = 0.2442-0.0910 0.1283 ( 4077 PWs) bands (ev): -16.1951 -16.1920 -15.1162 -15.1102 -14.3008 -14.2976 -13.9602 -13.9590 -13.7309 -13.7293 -13.4008 -13.3966 -5.5252 -5.5139 -4.5787 -4.5769 -3.2096 -3.1918 -2.7886 -2.7618 -2.2895 -2.2784 -1.4046 -1.3156 -0.4604 -0.4283 -0.2000 -0.1822 0.2730 0.3904 0.7471 0.8303 1.5377 1.5467 1.9416 1.9846 2.1905 2.2170 2.4300 2.4492 2.6474 2.6579 2.9226 2.9325 3.0306 3.0490 3.2271 3.2563 3.4619 3.4704 7.9125 8.2819 9.5674 9.7981 10.5920 10.7680 11.4008 11.4179 12.0746 12.1003 k = 0.2326-0.0866 0.1222 ( 4076 PWs) bands (ev): -16.2108 -16.2077 -15.1121 -15.1060 -14.2931 -14.2892 -13.9544 -13.9534 -13.7324 -13.7309 -13.3962 -13.3920 -5.4967 -5.4856 -4.5919 -4.5904 -3.2306 -3.2129 -2.7921 -2.7643 -2.3064 -2.2938 -1.3994 -1.3126 -0.4491 -0.4239 -0.1792 -0.1543 0.2725 0.3865 0.7617 0.8496 1.5489 1.5529 1.9238 1.9642 2.1947 2.2184 2.4382 2.4572 2.6386 2.6498 2.9192 2.9278 3.0306 3.0514 3.2048 3.2334 3.4552 3.4613 7.9130 8.2832 9.5763 9.8068 10.5703 10.7446 11.3770 11.3939 12.0855 12.1137 k = 0.2209-0.0823 0.1160 ( 4075 PWs) bands (ev): -16.2261 -16.2231 -15.1075 -15.1013 -14.2886 -14.2838 -13.9469 -13.9457 -13.7338 -13.7324 -13.3914 -13.3872 -5.4690 -5.4581 -4.6037 -4.6023 -3.2512 -3.2338 -2.7957 -2.7666 -2.3259 -2.3115 -1.3924 -1.3082 -0.4399 -0.4174 -0.1573 -0.1258 0.2726 0.3825 0.7780 0.8708 1.5518 1.5618 1.9043 1.9416 2.1997 2.2206 2.4440 2.4622 2.6333 2.6453 2.9163 2.9241 3.0287 3.0528 3.1832 3.2098 3.4483 3.4524 7.9156 8.2851 9.5870 9.8160 10.5495 10.7217 11.3518 11.3689 12.0959 12.1268 k = 0.2093-0.0780 0.1099 ( 4073 PWs) bands (ev): -16.2409 -16.2380 -15.1023 -15.0960 -14.2870 -14.2813 -13.9378 -13.9361 -13.7350 -13.7336 -13.3866 -13.3824 -5.4423 -5.4316 -4.6136 -4.6123 -3.2716 -3.2543 -2.7992 -2.7689 -2.3475 -2.3312 -1.3837 -1.3025 -0.4320 -0.4092 -0.1342 -0.0983 0.2734 0.3785 0.7961 0.8940 1.5505 1.5693 1.8837 1.9177 2.2053 2.2237 2.4468 2.4640 2.6317 2.6442 2.9135 2.9214 3.0238 3.0523 3.1638 3.1867 3.4409 3.4436 7.9206 8.2877 9.5994 9.8256 10.5299 10.6996 11.3253 11.3433 12.1057 12.1394 k = 0.1977-0.0736 0.1038 ( 4075 PWs) bands (ev): -16.2552 -16.2524 -15.0967 -15.0904 -14.2879 -14.2816 -13.9273 -13.9252 -13.7360 -13.7346 -13.3817 -13.3777 -5.4169 -5.4065 -4.6216 -4.6203 -3.2914 -3.2744 -2.8026 -2.7710 -2.3710 -2.3528 -1.3735 -1.2957 -0.4244 -0.4002 -0.1104 -0.0724 0.2747 0.3745 0.8158 0.9195 1.5463 1.5742 1.8626 1.8931 2.2114 2.2276 2.4467 2.4626 2.6331 2.6462 2.9100 2.9190 3.0150 3.0483 3.1482 3.1658 3.4330 3.4352 7.9277 8.2906 9.6134 9.8356 10.5113 10.6787 11.2973 11.3170 12.1148 12.1515 k = 0.1860-0.0693 0.0977 ( 4074 PWs) bands (ev): -16.2690 -16.2662 -15.0907 -15.0843 -14.2911 -14.2841 -13.9157 -13.9132 -13.7367 -13.7353 -13.3769 -13.3729 -5.3931 -5.3831 -4.6274 -4.6260 -3.3107 -3.2940 -2.8059 -2.7730 -2.3960 -2.3759 -1.3620 -1.2879 -0.4164 -0.3907 -0.0866 -0.0486 0.2767 0.3706 0.8373 0.9473 1.5394 1.5767 1.8417 1.8687 2.2179 2.2323 2.4441 2.4585 2.6367 2.6504 2.9050 2.9164 3.0023 3.0393 3.1376 3.1496 3.4248 3.4272 7.9370 8.2938 9.6290 9.8460 10.4938 10.6593 11.2680 11.2904 12.1234 12.1630 k = 0.1744-0.0650 0.0916 ( 4071 PWs) bands (ev): -16.2821 -16.2795 -15.0843 -15.0780 -14.2960 -14.2887 -13.9033 -13.9007 -13.7372 -13.7358 -13.3722 -13.3683 -5.3712 -5.3617 -4.6308 -4.6293 -3.3293 -3.3130 -2.8091 -2.7747 -2.4223 -2.4003 -1.3496 -1.2793 -0.4078 -0.3809 -0.0635 -0.0272 0.2791 0.3669 0.8602 0.9774 1.5300 1.5768 1.8217 1.8453 2.2249 2.2377 2.4395 2.4524 2.6410 2.6556 2.8969 2.9124 2.9876 3.0251 3.1321 3.1395 3.4163 3.4193 7.9482 8.2971 9.6461 9.8567 10.4775 10.6416 11.2375 11.2634 12.1313 12.1736 k = 0.1628-0.0606 0.0855 ( 4071 PWs) bands (ev): -16.2946 -16.2921 -15.0778 -15.0715 -14.3024 -14.2948 -13.8906 -13.8879 -13.7373 -13.7359 -13.3675 -13.3638 -5.3515 -5.3424 -4.6317 -4.6302 -3.3472 -3.3314 -2.8121 -2.7761 -2.4496 -2.4255 -1.3363 -1.2701 -0.3983 -0.3710 -0.0416 -0.0082 0.2817 0.3633 0.8844 1.0095 1.5186 1.5746 1.8034 1.8237 2.2321 2.2436 2.4334 2.4449 2.6448 2.6606 2.8842 2.9053 2.9739 3.0084 3.1305 3.1350 3.4080 3.4115 7.9613 8.3002 9.6644 9.8677 10.4623 10.6259 11.2060 11.2362 12.1386 12.1834 k = 0.1512-0.0563 0.0794 ( 4068 PWs) bands (ev): -16.3064 -16.3040 -15.0710 -15.0648 -14.3099 -14.3021 -13.8779 -13.8753 -13.7371 -13.7357 -13.3630 -13.3594 -5.3339 -5.3254 -4.6302 -4.6286 -3.3643 -3.3490 -2.8148 -2.7772 -2.4775 -2.4513 -1.3225 -1.2604 -0.3882 -0.3610 -0.0213 0.0083 0.2846 0.3598 0.9095 1.0432 1.5053 1.5705 1.7874 1.8048 2.2394 2.2500 2.4261 2.4364 2.6464 2.6640 2.8667 2.8930 2.9638 2.9934 3.1318 3.1347 3.3998 3.4037 7.9761 8.3029 9.6839 9.8789 10.4483 10.6125 11.1737 11.2088 12.1454 12.1923 k = 0.1395-0.0520 0.0733 ( 4064 PWs) bands (ev): -16.3174 -16.3152 -15.0641 -15.0581 -14.3180 -14.3103 -13.8656 -13.8631 -13.7366 -13.7351 -13.3587 -13.3553 -5.3188 -5.3108 -4.6262 -4.6246 -3.3805 -3.3657 -2.8171 -2.7779 -2.5058 -2.4775 -1.3084 -1.2506 -0.3774 -0.3509 -0.0030 0.0226 0.2874 0.3564 0.9350 1.0779 1.4907 1.5651 1.7745 1.7892 2.2467 2.2566 2.4180 2.4274 2.6440 2.6643 2.8466 2.8748 2.9579 2.9828 3.1349 3.1371 3.3920 3.3961 7.9925 8.3050 9.7044 9.8903 10.4356 10.6012 11.1409 11.1814 12.1517 12.2000 k = 0.1279-0.0476 0.0672 ( 4067 PWs) bands (ev): -16.3277 -16.3256 -15.0572 -15.0514 -14.3266 -14.3191 -13.8539 -13.8517 -13.7357 -13.7341 -13.3545 -13.3514 -5.3059 -5.2986 -4.6201 -4.6186 -3.3957 -3.3816 -2.8191 -2.7782 -2.5342 -2.5036 -1.2942 -1.2407 -0.3661 -0.3408 0.0130 0.0350 0.2902 0.3529 0.9605 1.1126 1.4754 1.5588 1.7652 1.7777 2.2540 2.2633 2.4090 2.4178 2.6355 2.6596 2.8277 2.8535 2.9551 2.9763 3.1393 3.1412 3.3844 3.3887 8.0101 8.3063 9.7255 9.9015 10.4244 10.5922 11.1078 11.1539 12.1576 12.2067 k = 0.1163-0.0433 0.0611 ( 4070 PWs) bands (ev): -16.3371 -16.3352 -15.0504 -15.0448 -14.3354 -14.3281 -13.8431 -13.8411 -13.7343 -13.7327 -13.3506 -13.3477 -5.2953 -5.2886 -4.6122 -4.6107 -3.4098 -3.3966 -2.8205 -2.7779 -2.5623 -2.5295 -1.2801 -1.2311 -0.3546 -0.3309 0.0265 0.0459 0.2927 0.3494 0.9852 1.1460 1.4601 1.5523 1.7600 1.7708 2.2610 2.2700 2.3991 2.4079 2.6197 2.6480 2.8127 2.8334 2.9541 2.9724 3.1445 3.1463 3.3773 3.3816 8.0288 8.3065 9.7470 9.9125 10.4152 10.5851 11.0750 11.1266 12.1631 12.2122 k = 0.1047-0.0390 0.0550 ( 4069 PWs) bands (ev): -16.3458 -16.3440 -15.0438 -15.0385 -14.3440 -14.3371 -13.8334 -13.8317 -13.7326 -13.7309 -13.3470 -13.3443 -5.2867 -5.2807 -4.6028 -4.6014 -3.4227 -3.4104 -2.8213 -2.7770 -2.5899 -2.5548 -1.2664 -1.2218 -0.3429 -0.3212 0.0376 0.0554 0.2949 0.3457 1.0087 1.1761 1.4463 1.5462 1.7593 1.7692 2.2677 2.2764 2.3880 2.3975 2.5966 2.6282 2.8030 2.8179 2.9541 2.9700 3.1503 3.1520 3.3707 3.3749 8.0484 8.3054 9.7687 9.9228 10.4082 10.5796 11.0428 11.0995 12.1683 12.2166 k = 0.0930-0.0347 0.0489 ( 4066 PWs) bands (ev): -16.3535 -16.3520 -15.0374 -15.0325 -14.3524 -14.3459 -13.8249 -13.8235 -13.7304 -13.7288 -13.3437 -13.3412 -5.2800 -5.2745 -4.5924 -4.5911 -3.4345 -3.4232 -2.8213 -2.7754 -2.6168 -2.5793 -1.2531 -1.2132 -0.3314 -0.3119 0.0463 0.0638 0.2970 0.3418 1.0305 1.2007 1.4359 1.5405 1.7635 1.7730 2.2738 2.2824 2.3753 2.3865 2.5684 2.6009 2.7977 2.8079 2.9546 2.9684 3.1563 3.1579 3.3646 3.3686 8.0687 8.3030 9.7902 9.9321 10.4040 10.5751 11.0120 11.0729 12.1733 12.2197 k = 0.0814-0.0303 0.0428 ( 4069 PWs) bands (ev): -16.3604 -16.3591 -15.0314 -15.0269 -14.3602 -14.3543 -13.8177 -13.8166 -13.7279 -13.7263 -13.3406 -13.3385 -5.2748 -5.2700 -4.5816 -4.5805 -3.4449 -3.4347 -2.8205 -2.7730 -2.6426 -2.6027 -1.2406 -1.2054 -0.3202 -0.3032 0.0533 0.0708 0.2988 0.3377 1.0505 1.2173 1.4308 1.5353 1.7730 1.7824 2.2791 2.2875 2.3606 2.3746 2.5381 2.5687 2.7955 2.8025 2.9553 2.9672 3.1624 3.1639 3.3590 3.3627 8.0892 8.2990 9.8112 9.9400 10.4029 10.5709 10.9832 11.0470 12.1781 12.2217 k = 0.0698-0.0260 0.0366 ( 4073 PWs) bands (ev): -16.3664 -16.3653 -15.0259 -15.0219 -14.3673 -14.3621 -13.8117 -13.8109 -13.7253 -13.7237 -13.3379 -13.3361 -5.2709 -5.2668 -4.5708 -4.5699 -3.4540 -3.4450 -2.8187 -2.7698 -2.6671 -2.6249 -1.2290 -1.1986 -0.3097 -0.2952 0.0590 0.0764 0.3005 0.3335 1.0685 1.2243 1.4321 1.5304 1.7879 1.7971 2.2827 2.2913 2.3440 2.3611 2.5087 2.5351 2.7952 2.8001 2.9561 2.9661 3.1682 3.1696 3.3542 3.3575 8.1100 8.2933 9.8316 9.9459 10.4054 10.5661 10.9575 11.0219 12.1828 12.2225 k = 0.0581-0.0217 0.0305 ( 4072 PWs) bands (ev): -16.3715 -16.3705 -15.0209 -15.0175 -14.3735 -14.3690 -13.8070 -13.8064 -13.7225 -13.7211 -13.3356 -13.3340 -5.2680 -5.2646 -4.5607 -4.5600 -3.4616 -3.4540 -2.8157 -2.7656 -2.6901 -2.6457 -1.2184 -1.1929 -0.3001 -0.2882 0.0638 0.0806 0.3020 0.3292 1.0849 1.2224 1.4392 1.5253 1.8075 1.8168 2.2827 2.2918 2.3277 2.3461 2.4829 2.5034 2.7958 2.7994 2.9569 2.9651 3.1735 3.1748 3.3500 3.3529 8.1306 8.2860 9.8510 9.9495 10.4118 10.5598 10.9359 10.9981 12.1875 12.2223 k = 0.0465-0.0173 0.0244 ( 4066 PWs) bands (ev): -16.3757 -16.3749 -15.0166 -15.0138 -14.3787 -14.3750 -13.8033 -13.8029 -13.7199 -13.7187 -13.3337 -13.3324 -5.2659 -5.2632 -4.5517 -4.5511 -3.4678 -3.4616 -2.8113 -2.7603 -2.7112 -2.6649 -1.2091 -1.1886 -0.2916 -0.2822 0.0681 0.0832 0.3036 0.3251 1.1001 1.2140 1.4496 1.5199 1.8306 1.8401 2.2730 2.2857 2.3183 2.3319 2.4622 2.4767 2.7969 2.7996 2.9577 2.9642 3.1782 3.1794 3.3465 3.3489 8.1509 8.2769 9.8693 9.9505 10.4219 10.5512 10.9193 10.9758 12.1921 12.2212 k = 0.0349-0.0130 0.0183 ( 4068 PWs) bands (ev): -16.3789 -16.3783 -15.0131 -15.0110 -14.3828 -14.3800 -13.8006 -13.8003 -13.7177 -13.7167 -13.3321 -13.3311 -5.2644 -5.2624 -4.5442 -4.5438 -3.4725 -3.4678 -2.8055 -2.7541 -2.7303 -2.6824 -1.2011 -1.1856 -0.2845 -0.2777 0.0719 0.0844 0.3052 0.3211 1.1146 1.2017 1.4611 1.5140 1.8551 1.8648 2.2531 2.2707 2.3167 2.3235 2.4469 2.4564 2.7980 2.8000 2.9585 2.9633 3.1821 3.1830 3.3438 3.3457 8.1706 8.2662 9.8863 9.9487 10.4354 10.5395 10.9086 10.9554 12.1966 12.2192 k = 0.0233-0.0087 0.0122 ( 4069 PWs) bands (ev): -16.3812 -16.3808 -15.0104 -15.0090 -14.3857 -14.3838 -13.7987 -13.7986 -13.7159 -13.7152 -13.3309 -13.3303 -5.2634 -5.2620 -4.5385 -4.5383 -3.4756 -3.4724 -2.7980 -2.7512 -2.7427 -2.6983 -1.1946 -1.1842 -0.2791 -0.2745 0.0754 0.0843 0.3070 0.3175 1.1288 1.1875 1.4723 1.5075 1.8786 1.8872 2.2325 2.2492 2.3176 2.3209 2.4369 2.4425 2.7991 2.8003 2.9592 2.9624 3.1850 3.1857 3.3420 3.3432 8.1895 8.2537 9.9017 9.9441 10.4518 10.5249 10.9039 10.9375 12.2011 12.2165 k = 0.0116-0.0043 0.0061 ( 4064 PWs) bands (ev): -16.3825 -16.3823 -15.0087 -15.0079 -14.3872 -14.3862 -13.7977 -13.7976 -13.7147 -13.7144 -13.3301 -13.3298 -5.2627 -5.2620 -4.5350 -4.5349 -3.4772 -3.4756 -2.7886 -2.7644 -2.7355 -2.7125 -1.1896 -1.1844 -0.2753 -0.2730 0.0785 0.0832 0.3091 0.3143 1.1431 1.1726 1.4827 1.5002 1.8970 1.9024 2.2190 2.2291 2.3189 2.3203 2.4316 2.4342 2.7998 2.8005 2.9600 2.9616 3.1869 3.1873 3.3410 3.3416 8.2075 8.2397 9.9154 9.9368 10.4701 10.5078 10.9050 10.9226 12.2054 12.2132 k = 0.0000 0.0000 0.0000 ( 4063 PWs) bands (ev): -16.3829 -16.3829 -15.0078 -15.0078 -14.3874 -14.3874 -13.7973 -13.7973 -13.7142 -13.7142 -13.3298 -13.3298 -5.2622 -5.2622 -4.5338 -4.5338 -3.4772 -3.4772 -2.7774 -2.7774 -2.7249 -2.7249 -1.1861 -1.1861 -0.2733 -0.2733 0.0812 0.0812 0.3115 0.3115 1.1577 1.1577 1.4919 1.4919 1.9060 1.9060 2.2176 2.2176 2.3198 2.3198 2.4307 2.4307 2.8003 2.8003 2.9608 2.9608 3.1877 3.1877 3.3409 3.3409 8.2243 8.2243 9.9272 9.9272 10.4892 10.4892 10.9116 10.9116 12.2095 12.2095 Writing output data file BixBO2x3.save init_run : 2.55s CPU 10.06s WALL ( 1 calls) electrons : 877.85s CPU 886.32s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.10s WALL ( 1 calls) potinit : 0.26s CPU 1.67s WALL ( 1 calls) Called by electrons: c_bands : 877.78s CPU 886.00s WALL ( 1 calls) v_of_rho : 0.04s CPU 1.03s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.03s CPU 0.62s WALL ( 1 calls) newd : 0.31s CPU 0.53s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 337 calls) cegterg : 823.72s CPU 828.99s WALL ( 730 calls) Called by sum_band: Called by *egterg: h_psi : 331.00s CPU 339.18s WALL ( 13107 calls) s_psi : 23.09s CPU 23.57s WALL ( 13107 calls) g_psi : 0.86s CPU 0.82s WALL ( 12040 calls) cdiaghg : 348.45s CPU 345.86s WALL ( 12377 calls) cegterg:over : 77.39s CPU 74.29s WALL ( 12040 calls) cegterg:upda : 16.37s CPU 19.88s WALL ( 12040 calls) cegterg:last : 13.91s CPU 14.66s WALL ( 2078 calls) Called by h_psi: h_psi:vloc : 263.57s CPU 270.39s WALL ( 13107 calls) h_psi:vnl : 67.13s CPU 67.99s WALL ( 13107 calls) add_vuspsi : 17.98s CPU 21.99s WALL ( 13107 calls) General routines calbec : 49.10s CPU 45.88s WALL ( 13107 calls) fft : 0.60s CPU 1.68s WALL ( 19 calls) ffts : 0.01s CPU 0.02s WALL ( 4 calls) fftw : 251.21s CPU 254.89s WALL ( 1542300 calls) interpolate : 0.03s CPU 0.04s WALL ( 4 calls) davcio : 0.02s CPU 1.49s WALL ( 674 calls) Parallel routines fft_scatter : 158.51s CPU 161.19s WALL ( 1542323 calls) PWSCF : 15m35.70s CPU 16m49.09s WALL This run was terminated on: 12:47:48 25Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=