Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 5:55 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./TeO3.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 57 33 9 1676 732 113 Max 58 34 10 1679 755 117 Sum 2067 1201 347 60389 26675 4153 bravais-lattice index = 14 lattice parameter (alat) = 9.8166 a.u. unit-cell volume = 612.9032 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.816560 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.553682 celldm(5)= 0.553682 celldm(6)= 0.553682 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.553682 0.832728 0.000000 ) a(3) = ( 0.553682 0.296757 0.778056 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.664902 -0.458023 ) b(2) = ( 0.000000 1.200872 -0.458023 ) b(3) = ( 0.000000 0.000000 1.285255 ) PseudoPot. # 1 for O read from file: /users/gautes/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 Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c 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 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Te 6.00 127.60000 Te( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 286 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 2) = ( 0.0128205 -0.0085244 -0.0058721), wk = 0.0034965 k( 3) = ( 0.0256410 -0.0170488 -0.0117442), wk = 0.0034965 k( 4) = ( 0.0384615 -0.0255731 -0.0176163), wk = 0.0034965 k( 5) = ( 0.0512821 -0.0340975 -0.0234884), wk = 0.0034965 k( 6) = ( 0.0641026 -0.0426219 -0.0293605), wk = 0.0034965 k( 7) = ( 0.0769231 -0.0511463 -0.0352326), wk = 0.0034965 k( 8) = ( 0.0897436 -0.0596707 -0.0411047), wk = 0.0034965 k( 9) = ( 0.1025641 -0.0681950 -0.0469768), wk = 0.0034965 k( 10) = ( 0.1153846 -0.0767194 -0.0528488), wk = 0.0034965 k( 11) = ( 0.1282051 -0.0852438 -0.0587209), wk = 0.0034965 k( 12) = ( 0.1410256 -0.0937682 -0.0645930), wk = 0.0034965 k( 13) = ( 0.1538461 -0.1022926 -0.0704651), wk = 0.0034965 k( 14) = ( 0.1666667 -0.1108169 -0.0763372), wk = 0.0034965 k( 15) = ( 0.1794872 -0.1193413 -0.0822093), wk = 0.0034965 k( 16) = ( 0.1923077 -0.1278657 -0.0880814), wk = 0.0034965 k( 17) = ( 0.2051282 -0.1363901 -0.0939535), wk = 0.0034965 k( 18) = ( 0.2179487 -0.1449145 -0.0998256), wk = 0.0034965 k( 19) = ( 0.2307692 -0.1534388 -0.1056977), wk = 0.0034965 k( 20) = ( 0.2435897 -0.1619632 -0.1115698), wk = 0.0034965 k( 21) = ( 0.2564103 -0.1704876 -0.1174419), wk = 0.0034965 k( 22) = ( 0.2692308 -0.1790120 -0.1233140), wk = 0.0034965 k( 23) = ( 0.2820513 -0.1875364 -0.1291861), wk = 0.0034965 k( 24) = ( 0.2948718 -0.1960607 -0.1350582), wk = 0.0034965 k( 25) = ( 0.3076923 -0.2045851 -0.1409303), wk = 0.0034965 k( 26) = ( 0.3205128 -0.2131095 -0.1468023), wk = 0.0034965 k( 27) = ( 0.3333333 -0.2216339 -0.1526744), wk = 0.0034965 k( 28) = ( 0.3461538 -0.2301583 -0.1585465), wk = 0.0034965 k( 29) = ( 0.3589744 -0.2386827 -0.1644186), wk = 0.0034965 k( 30) = ( 0.3717949 -0.2472070 -0.1702907), wk = 0.0034965 k( 31) = ( 0.3846154 -0.2557314 -0.1761628), wk = 0.0034965 k( 32) = ( 0.3974359 -0.2642558 -0.1820349), wk = 0.0034965 k( 33) = ( 0.4102564 -0.2727802 -0.1879070), wk = 0.0034965 k( 34) = ( 0.4230769 -0.2813046 -0.1937791), wk = 0.0034965 k( 35) = ( 0.4358974 -0.2898289 -0.1996512), wk = 0.0034965 k( 36) = ( 0.4487179 -0.2983533 -0.2055233), wk = 0.0034965 k( 37) = ( 0.4615385 -0.3068777 -0.2113954), wk = 0.0034965 k( 38) = ( 0.4743590 -0.3154021 -0.2172675), wk = 0.0034965 k( 39) = ( 0.4871795 -0.3239265 -0.2231396), wk = 0.0034965 k( 40) = ( 0.5000000 -0.3324508 -0.2290117), wk = 0.0034965 k( 41) = ( 0.5000000 -0.3324508 -0.2290117), wk = 0.0034965 k( 42) = ( 0.5000000 -0.3232598 -0.2423541), wk = 0.0034965 k( 43) = ( 0.5000000 -0.3140687 -0.2556965), wk = 0.0034965 k( 44) = ( 0.5000000 -0.3048777 -0.2690390), wk = 0.0034965 k( 45) = ( 0.5000000 -0.2956866 -0.2823814), wk = 0.0034965 k( 46) = ( 0.5000000 -0.2864956 -0.2957239), wk = 0.0034965 k( 47) = ( 0.5000000 -0.2773045 -0.3090663), wk = 0.0034965 k( 48) = ( 0.5000000 -0.2681134 -0.3224088), wk = 0.0034965 k( 49) = ( 0.5000000 -0.2589224 -0.3357512), wk = 0.0034965 k( 50) = ( 0.5000000 -0.2497313 -0.3490936), wk = 0.0034965 k( 51) = ( 0.5000000 -0.2405403 -0.3624361), wk = 0.0034965 k( 52) = ( 0.5000000 -0.2313492 -0.3757785), wk = 0.0034965 k( 53) = ( 0.5000000 -0.2221582 -0.3891210), wk = 0.0034965 k( 54) = ( 0.5000000 -0.2129671 -0.4024634), wk = 0.0034965 k( 55) = ( 0.5000000 -0.2037760 -0.4158058), wk = 0.0034965 k( 56) = ( 0.5000000 -0.1945850 -0.4291483), wk = 0.0034965 k( 57) = ( 0.5000000 -0.1853939 -0.4424907), wk = 0.0034965 k( 58) = ( 0.5000000 -0.1762029 -0.4558332), wk = 0.0034965 k( 59) = ( 0.5000000 -0.1670118 -0.4691756), wk = 0.0034965 k( 60) = ( 0.5000000 -0.1578207 -0.4825181), wk = 0.0034965 k( 61) = ( 0.5000000 -0.1486297 -0.4958605), wk = 0.0034965 k( 62) = ( 0.5000000 -0.1394386 -0.5092029), wk = 0.0034965 k( 63) = ( 0.5000000 -0.1302476 -0.5225454), wk = 0.0034965 k( 64) = ( 0.5000000 -0.1210565 -0.5358878), wk = 0.0034965 k( 65) = ( 0.5000000 -0.1118655 -0.5492303), wk = 0.0034965 k( 66) = ( 0.5000000 -0.1026744 -0.5625727), wk = 0.0034965 k( 67) = ( 0.5000000 -0.0934834 -0.5759151), wk = 0.0034965 k( 68) = ( 0.5000000 -0.0842923 -0.5892576), wk = 0.0034965 k( 69) = ( 0.5000000 -0.0751012 -0.6026000), wk = 0.0034965 k( 70) = ( 0.5000000 -0.0659102 -0.6159425), wk = 0.0034965 k( 71) = ( 0.5000000 -0.0567191 -0.6292849), wk = 0.0034965 k( 72) = ( 0.5000000 -0.0475281 -0.6426274), wk = 0.0034965 k( 73) = ( 0.7627368 0.0932911 -0.2734193), wk = 0.0034965 k( 74) = ( 0.7550093 0.0984292 -0.2599480), wk = 0.0034965 k( 75) = ( 0.7472817 0.1035673 -0.2464768), wk = 0.0034965 k( 76) = ( 0.7395542 0.1087053 -0.2330055), wk = 0.0034965 k( 77) = ( 0.7318266 0.1138434 -0.2195342), wk = 0.0034965 k( 78) = ( 0.7240991 0.1189815 -0.2060629), wk = 0.0034965 k( 79) = ( 0.7163715 0.1241195 -0.1925917), wk = 0.0034965 k( 80) = ( 0.7086440 0.1292576 -0.1791204), wk = 0.0034965 k( 81) = ( 0.7009164 0.1343957 -0.1656491), wk = 0.0034965 k( 82) = ( 0.6931888 0.1395337 -0.1521778), wk = 0.0034965 k( 83) = ( 0.6854613 0.1446718 -0.1387066), wk = 0.0034965 k( 84) = ( 0.6777337 0.1498098 -0.1252353), wk = 0.0034965 k( 85) = ( 0.6700062 0.1549479 -0.1117640), wk = 0.0034965 k( 86) = ( 0.6622786 0.1600860 -0.0982928), wk = 0.0034965 k( 87) = ( 0.6545511 0.1652240 -0.0848215), wk = 0.0034965 k( 88) = ( 0.6468235 0.1703621 -0.0713502), wk = 0.0034965 k( 89) = ( 0.6390960 0.1755002 -0.0578789), wk = 0.0034965 k( 90) = ( 0.6313684 0.1806382 -0.0444076), wk = 0.0034965 k( 91) = ( 0.6236409 0.1857763 -0.0309364), wk = 0.0034965 k( 92) = ( 0.6159133 0.1909144 -0.0174651), wk = 0.0034965 k( 93) = ( 0.6081857 0.1960524 -0.0039938), wk = 0.0034965 k( 94) = ( 0.6004582 0.2011905 0.0094774), wk = 0.0034965 k( 95) = ( 0.5927306 0.2063285 0.0229487), wk = 0.0034965 k( 96) = ( 0.5850031 0.2114666 0.0364200), wk = 0.0034965 k( 97) = ( 0.5772755 0.2166047 0.0498913), wk = 0.0034965 k( 98) = ( 0.5695480 0.2217427 0.0633626), wk = 0.0034965 k( 99) = ( 0.5618204 0.2268808 0.0768338), wk = 0.0034965 k( 100) = ( 0.5540929 0.2320189 0.0903051), wk = 0.0034965 k( 101) = ( 0.5463653 0.2371569 0.1037764), wk = 0.0034965 k( 102) = ( 0.5386378 0.2422950 0.1172476), wk = 0.0034965 k( 103) = ( 0.5309102 0.2474331 0.1307189), wk = 0.0034965 k( 104) = ( 0.5231827 0.2525711 0.1441902), wk = 0.0034965 k( 105) = ( 0.5154551 0.2577092 0.1576615), wk = 0.0034965 k( 106) = ( 0.5077276 0.2628472 0.1711327), wk = 0.0034965 k( 107) = ( 0.5000000 0.2679853 0.1846040), wk = 0.0034965 k( 108) = ( 0.5000000 0.2679853 0.1846040), wk = 0.0034965 k( 109) = ( 0.4864865 0.2607425 0.1796147), wk = 0.0034965 k( 110) = ( 0.4729730 0.2534996 0.1746254), wk = 0.0034965 k( 111) = ( 0.4594595 0.2462568 0.1696361), wk = 0.0034965 k( 112) = ( 0.4459459 0.2390139 0.1646468), wk = 0.0034965 k( 113) = ( 0.4324324 0.2317711 0.1596575), wk = 0.0034965 k( 114) = ( 0.4189189 0.2245282 0.1546682), wk = 0.0034965 k( 115) = ( 0.4054054 0.2172854 0.1496789), wk = 0.0034965 k( 116) = ( 0.3918919 0.2100425 0.1446896), wk = 0.0034965 k( 117) = ( 0.3783784 0.2027997 0.1397003), wk = 0.0034965 k( 118) = ( 0.3648649 0.1955568 0.1347110), wk = 0.0034965 k( 119) = ( 0.3513514 0.1883140 0.1297217), wk = 0.0034965 k( 120) = ( 0.3378378 0.1810712 0.1247324), wk = 0.0034965 k( 121) = ( 0.3243243 0.1738283 0.1197431), wk = 0.0034965 k( 122) = ( 0.3108108 0.1665855 0.1147538), wk = 0.0034965 k( 123) = ( 0.2972973 0.1593426 0.1097646), wk = 0.0034965 k( 124) = ( 0.2837838 0.1520998 0.1047753), wk = 0.0034965 k( 125) = ( 0.2702703 0.1448569 0.0997860), wk = 0.0034965 k( 126) = ( 0.2567568 0.1376141 0.0947967), wk = 0.0034965 k( 127) = ( 0.2432432 0.1303712 0.0898074), wk = 0.0034965 k( 128) = ( 0.2297297 0.1231284 0.0848181), wk = 0.0034965 k( 129) = ( 0.2162162 0.1158855 0.0798288), wk = 0.0034965 k( 130) = ( 0.2027027 0.1086427 0.0748395), wk = 0.0034965 k( 131) = ( 0.1891892 0.1013998 0.0698502), wk = 0.0034965 k( 132) = ( 0.1756757 0.0941570 0.0648609), wk = 0.0034965 k( 133) = ( 0.1621622 0.0869142 0.0598716), wk = 0.0034965 k( 134) = ( 0.1486486 0.0796713 0.0548823), wk = 0.0034965 k( 135) = ( 0.1351351 0.0724285 0.0498930), wk = 0.0034965 k( 136) = ( 0.1216216 0.0651856 0.0449037), wk = 0.0034965 k( 137) = ( 0.1081081 0.0579428 0.0399144), wk = 0.0034965 k( 138) = ( 0.0945946 0.0506999 0.0349251), wk = 0.0034965 k( 139) = ( 0.0810811 0.0434571 0.0299358), wk = 0.0034965 k( 140) = ( 0.0675676 0.0362142 0.0249465), wk = 0.0034965 k( 141) = ( 0.0540540 0.0289714 0.0199572), wk = 0.0034965 k( 142) = ( 0.0405405 0.0217285 0.0149679), wk = 0.0034965 k( 143) = ( 0.0270270 0.0144857 0.0099786), wk = 0.0034965 k( 144) = ( 0.0135135 0.0072428 0.0049893), wk = 0.0034965 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 147) = ( 0.0076798 -0.0051063 -0.0133881), wk = 0.0034965 k( 148) = ( 0.0153597 -0.0102127 -0.0267761), wk = 0.0034965 k( 149) = ( 0.0230395 -0.0153190 -0.0401642), wk = 0.0034965 k( 150) = ( 0.0307193 -0.0204253 -0.0535523), wk = 0.0034965 k( 151) = ( 0.0383991 -0.0255316 -0.0669403), wk = 0.0034965 k( 152) = ( 0.0460790 -0.0306380 -0.0803284), wk = 0.0034965 k( 153) = ( 0.0537588 -0.0357443 -0.0937165), wk = 0.0034965 k( 154) = ( 0.0614386 -0.0408506 -0.1071046), wk = 0.0034965 k( 155) = ( 0.0691184 -0.0459570 -0.1204926), wk = 0.0034965 k( 156) = ( 0.0767982 -0.0510633 -0.1338807), wk = 0.0034965 k( 157) = ( 0.0844781 -0.0561696 -0.1472688), wk = 0.0034965 k( 158) = ( 0.0921579 -0.0612759 -0.1606568), wk = 0.0034965 k( 159) = ( 0.0998377 -0.0663823 -0.1740449), wk = 0.0034965 k( 160) = ( 0.1075176 -0.0714886 -0.1874330), wk = 0.0034965 k( 161) = ( 0.1151974 -0.0765949 -0.2008210), wk = 0.0034965 k( 162) = ( 0.1228772 -0.0817013 -0.2142091), wk = 0.0034965 k( 163) = ( 0.1305570 -0.0868076 -0.2275972), wk = 0.0034965 k( 164) = ( 0.1382368 -0.0919139 -0.2409853), wk = 0.0034965 k( 165) = ( 0.1459167 -0.0970202 -0.2543733), wk = 0.0034965 k( 166) = ( 0.1535965 -0.1021266 -0.2677614), wk = 0.0034965 k( 167) = ( 0.1612763 -0.1072329 -0.2811495), wk = 0.0034965 k( 168) = ( 0.1689561 -0.1123392 -0.2945375), wk = 0.0034965 k( 169) = ( 0.1766360 -0.1174456 -0.3079256), wk = 0.0034965 k( 170) = ( 0.1843158 -0.1225519 -0.3213137), wk = 0.0034965 k( 171) = ( 0.1919956 -0.1276582 -0.3347017), wk = 0.0034965 k( 172) = ( 0.1996754 -0.1327645 -0.3480898), wk = 0.0034965 k( 173) = ( 0.2073553 -0.1378709 -0.3614779), wk = 0.0034965 k( 174) = ( 0.2150351 -0.1429772 -0.3748659), wk = 0.0034965 k( 175) = ( 0.2227149 -0.1480835 -0.3882540), wk = 0.0034965 k( 176) = ( 0.2303947 -0.1531898 -0.4016421), wk = 0.0034965 k( 177) = ( 0.2380746 -0.1582962 -0.4150302), wk = 0.0034965 k( 178) = ( 0.2457544 -0.1634025 -0.4284182), wk = 0.0034965 k( 179) = ( 0.2534342 -0.1685088 -0.4418063), wk = 0.0034965 k( 180) = ( 0.2611140 -0.1736152 -0.4551944), wk = 0.0034965 k( 181) = ( 0.2687939 -0.1787215 -0.4685824), wk = 0.0034965 k( 182) = ( 0.2764737 -0.1838278 -0.4819705), wk = 0.0034965 k( 183) = ( 0.2841535 -0.1889342 -0.4953586), wk = 0.0034965 k( 184) = ( 0.2918333 -0.1940405 -0.5087466), wk = 0.0034965 k( 185) = ( 0.2995132 -0.1991468 -0.5221347), wk = 0.0034965 k( 186) = ( 0.3071930 -0.2042531 -0.5355228), wk = 0.0034965 k( 187) = ( 0.3148728 -0.2093595 -0.5489108), wk = 0.0034965 k( 188) = ( 0.3225526 -0.2144658 -0.5622989), wk = 0.0034965 k( 189) = ( 0.3302325 -0.2195721 -0.5756870), wk = 0.0034965 k( 190) = ( 0.3379123 -0.2246784 -0.5890751), wk = 0.0034965 k( 191) = ( 0.3455921 -0.2297848 -0.6024631), wk = 0.0034965 k( 192) = ( 0.3532719 -0.2348911 -0.6158512), wk = 0.0034965 k( 193) = ( 0.3609518 -0.2399974 -0.6292393), wk = 0.0034965 k( 194) = ( 0.3686316 -0.2451038 -0.6426273), wk = 0.0034965 k( 195) = ( 0.6313684 0.0228815 -0.4580233), wk = 0.0034965 k( 196) = ( 0.6236409 0.0372994 -0.4580233), wk = 0.0034965 k( 197) = ( 0.6159133 0.0517173 -0.4580233), wk = 0.0034965 k( 198) = ( 0.6081857 0.0661351 -0.4580233), wk = 0.0034965 k( 199) = ( 0.6004582 0.0805530 -0.4580233), wk = 0.0034965 k( 200) = ( 0.5927306 0.0949709 -0.4580233), wk = 0.0034965 k( 201) = ( 0.5850031 0.1093887 -0.4580233), wk = 0.0034965 k( 202) = ( 0.5772755 0.1238066 -0.4580233), wk = 0.0034965 k( 203) = ( 0.5695480 0.1382245 -0.4580233), wk = 0.0034965 k( 204) = ( 0.5618204 0.1526424 -0.4580233), wk = 0.0034965 k( 205) = ( 0.5540929 0.1670602 -0.4580233), wk = 0.0034965 k( 206) = ( 0.5463653 0.1814781 -0.4580233), wk = 0.0034965 k( 207) = ( 0.5386378 0.1958960 -0.4580233), wk = 0.0034965 k( 208) = ( 0.5309102 0.2103138 -0.4580233), wk = 0.0034965 k( 209) = ( 0.5231827 0.2247317 -0.4580233), wk = 0.0034965 k( 210) = ( 0.5154551 0.2391496 -0.4580233), wk = 0.0034965 k( 211) = ( 0.5077276 0.2535674 -0.4580233), wk = 0.0034965 k( 212) = ( 0.5000000 0.2679853 -0.4580233), wk = 0.0034965 k( 213) = ( 0.5000000 0.2679853 -0.4580233), wk = 0.0034965 k( 214) = ( 0.5087579 0.2726793 -0.4457164), wk = 0.0034965 k( 215) = ( 0.5175158 0.2773733 -0.4334095), wk = 0.0034965 k( 216) = ( 0.5262737 0.2820672 -0.4211025), wk = 0.0034965 k( 217) = ( 0.5350316 0.2867612 -0.4087956), wk = 0.0034965 k( 218) = ( 0.5437895 0.2914552 -0.3964887), wk = 0.0034965 k( 219) = ( 0.5525474 0.2961491 -0.3841817), wk = 0.0034965 k( 220) = ( 0.5613053 0.3008431 -0.3718748), wk = 0.0034965 k( 221) = ( 0.5700631 0.3055371 -0.3595679), wk = 0.0034965 k( 222) = ( 0.5788210 0.3102311 -0.3472609), wk = 0.0034965 k( 223) = ( 0.5875789 0.3149250 -0.3349540), wk = 0.0034965 k( 224) = ( 0.5963368 0.3196190 -0.3226471), wk = 0.0034965 k( 225) = ( 0.6050947 0.3243130 -0.3103401), wk = 0.0034965 k( 226) = ( 0.6138526 0.3290070 -0.2980332), wk = 0.0034965 k( 227) = ( 0.6226105 0.3337009 -0.2857263), wk = 0.0034965 k( 228) = ( 0.6313684 0.3383949 -0.2734193), wk = 0.0034965 k( 229) = ( 0.6313684 0.3383949 -0.2734193), wk = 0.0034965 k( 230) = ( 0.6269895 0.3360479 -0.2581519), wk = 0.0034965 k( 231) = ( 0.6226105 0.3337009 -0.2428844), wk = 0.0034965 k( 232) = ( 0.6182316 0.3313539 -0.2276170), wk = 0.0034965 k( 233) = ( 0.6138526 0.3290070 -0.2123495), wk = 0.0034965 k( 234) = ( 0.6094737 0.3266600 -0.1970821), wk = 0.0034965 k( 235) = ( 0.6050947 0.3243130 -0.1818146), wk = 0.0034965 k( 236) = ( 0.6007158 0.3219660 -0.1665472), wk = 0.0034965 k( 237) = ( 0.5963368 0.3196190 -0.1512798), wk = 0.0034965 k( 238) = ( 0.5919579 0.3172720 -0.1360123), wk = 0.0034965 k( 239) = ( 0.5875789 0.3149250 -0.1207449), wk = 0.0034965 k( 240) = ( 0.5832000 0.3125781 -0.1054774), wk = 0.0034965 k( 241) = ( 0.5788210 0.3102311 -0.0902100), wk = 0.0034965 k( 242) = ( 0.5744421 0.3078841 -0.0749425), wk = 0.0034965 k( 243) = ( 0.5700631 0.3055371 -0.0596751), wk = 0.0034965 k( 244) = ( 0.5656842 0.3031901 -0.0444077), wk = 0.0034965 k( 245) = ( 0.5613053 0.3008431 -0.0291402), wk = 0.0034965 k( 246) = ( 0.5569263 0.2984961 -0.0138728), wk = 0.0034965 k( 247) = ( 0.5525474 0.2961491 0.0013947), wk = 0.0034965 k( 248) = ( 0.5481684 0.2938022 0.0166621), wk = 0.0034965 k( 249) = ( 0.5437895 0.2914552 0.0319296), wk = 0.0034965 k( 250) = ( 0.5394105 0.2891082 0.0471970), wk = 0.0034965 k( 251) = ( 0.5350316 0.2867612 0.0624645), wk = 0.0034965 k( 252) = ( 0.5306526 0.2844142 0.0777319), wk = 0.0034965 k( 253) = ( 0.5262737 0.2820672 0.0929994), wk = 0.0034965 k( 254) = ( 0.5218947 0.2797202 0.1082668), wk = 0.0034965 k( 255) = ( 0.5175158 0.2773733 0.1235342), wk = 0.0034965 k( 256) = ( 0.5131368 0.2750263 0.1388017), wk = 0.0034965 k( 257) = ( 0.5087579 0.2726793 0.1540691), wk = 0.0034965 k( 258) = ( 0.5043789 0.2703323 0.1693366), wk = 0.0034965 k( 259) = ( 0.5000000 0.2679853 0.1846040), wk = 0.0034965 k( 260) = ( 0.5000000 -0.3324508 -0.2290117), wk = 0.0034965 k( 261) = ( 0.5101053 -0.3221437 -0.2219115), wk = 0.0034965 k( 262) = ( 0.5202105 -0.3118366 -0.2148113), wk = 0.0034965 k( 263) = ( 0.5303158 -0.3015295 -0.2077112), wk = 0.0034965 k( 264) = ( 0.5404210 -0.2912223 -0.2006110), wk = 0.0034965 k( 265) = ( 0.5505263 -0.2809152 -0.1935109), wk = 0.0034965 k( 266) = ( 0.5606316 -0.2706081 -0.1864107), wk = 0.0034965 k( 267) = ( 0.5707368 -0.2603009 -0.1793106), wk = 0.0034965 k( 268) = ( 0.5808421 -0.2499938 -0.1722104), wk = 0.0034965 k( 269) = ( 0.5909474 -0.2396867 -0.1651103), wk = 0.0034965 k( 270) = ( 0.6010526 -0.2293796 -0.1580101), wk = 0.0034965 k( 271) = ( 0.6111579 -0.2190724 -0.1509100), wk = 0.0034965 k( 272) = ( 0.6212631 -0.2087653 -0.1438098), wk = 0.0034965 k( 273) = ( 0.6313684 -0.1984582 -0.1367097), wk = 0.0034965 k( 274) = ( 0.6414737 -0.1881511 -0.1296095), wk = 0.0034965 k( 275) = ( 0.6515789 -0.1778439 -0.1225093), wk = 0.0034965 k( 276) = ( 0.6616842 -0.1675368 -0.1154092), wk = 0.0034965 k( 277) = ( 0.6717895 -0.1572297 -0.1083090), wk = 0.0034965 k( 278) = ( 0.6818947 -0.1469226 -0.1012089), wk = 0.0034965 k( 279) = ( 0.6920000 -0.1366154 -0.0941087), wk = 0.0034965 k( 280) = ( 0.7021053 -0.1263083 -0.0870086), wk = 0.0034965 k( 281) = ( 0.7122105 -0.1160012 -0.0799084), wk = 0.0034965 k( 282) = ( 0.7223158 -0.1056940 -0.0728083), wk = 0.0034965 k( 283) = ( 0.7324210 -0.0953869 -0.0657081), wk = 0.0034965 k( 284) = ( 0.7425263 -0.0850798 -0.0586080), wk = 0.0034965 k( 285) = ( 0.7526316 -0.0747727 -0.0515078), wk = 0.0034965 k( 286) = ( 0.7627368 -0.0644655 -0.0444076), wk = 0.0034965 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 2) = ( 0.0128205 -0.0000000 -0.0000000), wk = 0.0034965 k( 3) = ( 0.0256410 0.0000000 0.0000000), wk = 0.0034965 k( 4) = ( 0.0384615 0.0000000 -0.0000000), wk = 0.0034965 k( 5) = ( 0.0512821 0.0000000 -0.0000000), wk = 0.0034965 k( 6) = ( 0.0641026 0.0000000 0.0000000), wk = 0.0034965 k( 7) = ( 0.0769231 0.0000000 -0.0000000), wk = 0.0034965 k( 8) = ( 0.0897436 0.0000000 0.0000000), wk = 0.0034965 k( 9) = ( 0.1025641 0.0000000 -0.0000000), wk = 0.0034965 k( 10) = ( 0.1153846 0.0000000 0.0000000), wk = 0.0034965 k( 11) = ( 0.1282051 0.0000000 0.0000000), wk = 0.0034965 k( 12) = ( 0.1410256 -0.0000000 -0.0000000), wk = 0.0034965 k( 13) = ( 0.1538461 0.0000000 0.0000000), wk = 0.0034965 k( 14) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0034965 k( 15) = ( 0.1794872 0.0000000 0.0000000), wk = 0.0034965 k( 16) = ( 0.1923077 0.0000000 0.0000000), wk = 0.0034965 k( 17) = ( 0.2051282 0.0000000 0.0000000), wk = 0.0034965 k( 18) = ( 0.2179487 0.0000000 0.0000000), wk = 0.0034965 k( 19) = ( 0.2307692 0.0000000 0.0000000), wk = 0.0034965 k( 20) = ( 0.2435897 0.0000000 0.0000000), wk = 0.0034965 k( 21) = ( 0.2564103 0.0000000 0.0000000), wk = 0.0034965 k( 22) = ( 0.2692308 0.0000000 0.0000000), wk = 0.0034965 k( 23) = ( 0.2820513 -0.0000000 -0.0000000), wk = 0.0034965 k( 24) = ( 0.2948718 0.0000000 0.0000000), wk = 0.0034965 k( 25) = ( 0.3076923 0.0000000 0.0000000), wk = 0.0034965 k( 26) = ( 0.3205128 0.0000000 -0.0000000), wk = 0.0034965 k( 27) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0034965 k( 28) = ( 0.3461538 -0.0000000 0.0000000), wk = 0.0034965 k( 29) = ( 0.3589744 0.0000000 0.0000000), wk = 0.0034965 k( 30) = ( 0.3717949 0.0000000 0.0000000), wk = 0.0034965 k( 31) = ( 0.3846154 0.0000000 0.0000000), wk = 0.0034965 k( 32) = ( 0.3974359 0.0000000 0.0000000), wk = 0.0034965 k( 33) = ( 0.4102564 -0.0000000 -0.0000000), wk = 0.0034965 k( 34) = ( 0.4230769 0.0000000 0.0000000), wk = 0.0034965 k( 35) = ( 0.4358974 0.0000000 0.0000000), wk = 0.0034965 k( 36) = ( 0.4487179 -0.0000000 0.0000000), wk = 0.0034965 k( 37) = ( 0.4615385 0.0000000 0.0000000), wk = 0.0034965 k( 38) = ( 0.4743590 -0.0000000 -0.0000000), wk = 0.0034965 k( 39) = ( 0.4871795 0.0000000 -0.0000000), wk = 0.0034965 k( 40) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034965 k( 41) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034965 k( 42) = ( 0.5000000 0.0076537 -0.0076536), wk = 0.0034965 k( 43) = ( 0.5000000 0.0153073 -0.0153073), wk = 0.0034965 k( 44) = ( 0.5000000 0.0229609 -0.0229610), wk = 0.0034965 k( 45) = ( 0.5000000 0.0306146 -0.0306146), wk = 0.0034965 k( 46) = ( 0.5000000 0.0382683 -0.0382682), wk = 0.0034965 k( 47) = ( 0.5000000 0.0459219 -0.0459219), wk = 0.0034965 k( 48) = ( 0.5000000 0.0535756 -0.0535756), wk = 0.0034965 k( 49) = ( 0.5000000 0.0612292 -0.0612292), wk = 0.0034965 k( 50) = ( 0.5000000 0.0688829 -0.0688829), wk = 0.0034965 k( 51) = ( 0.5000000 0.0765365 -0.0765365), wk = 0.0034965 k( 52) = ( 0.5000000 0.0841902 -0.0841902), wk = 0.0034965 k( 53) = ( 0.5000000 0.0918438 -0.0918438), wk = 0.0034965 k( 54) = ( 0.5000000 0.0994975 -0.0994975), wk = 0.0034965 k( 55) = ( 0.5000000 0.1071511 -0.1071511), wk = 0.0034965 k( 56) = ( 0.5000000 0.1148048 -0.1148048), wk = 0.0034965 k( 57) = ( 0.5000000 0.1224584 -0.1224584), wk = 0.0034965 k( 58) = ( 0.5000000 0.1301121 -0.1301121), wk = 0.0034965 k( 59) = ( 0.5000000 0.1377657 -0.1377657), wk = 0.0034965 k( 60) = ( 0.5000000 0.1454194 -0.1454194), wk = 0.0034965 k( 61) = ( 0.5000000 0.1530730 -0.1530730), wk = 0.0034965 k( 62) = ( 0.5000000 0.1607267 -0.1607267), wk = 0.0034965 k( 63) = ( 0.5000000 0.1683803 -0.1683803), wk = 0.0034965 k( 64) = ( 0.5000000 0.1760340 -0.1760340), wk = 0.0034965 k( 65) = ( 0.5000000 0.1836876 -0.1836876), wk = 0.0034965 k( 66) = ( 0.5000000 0.1913413 -0.1913413), wk = 0.0034965 k( 67) = ( 0.5000000 0.1989949 -0.1989949), wk = 0.0034965 k( 68) = ( 0.5000000 0.2066486 -0.2066486), wk = 0.0034965 k( 69) = ( 0.5000000 0.2143022 -0.2143022), wk = 0.0034965 k( 70) = ( 0.5000000 0.2219559 -0.2219559), wk = 0.0034965 k( 71) = ( 0.5000000 0.2296095 -0.2296095), wk = 0.0034965 k( 72) = ( 0.5000000 0.2372632 -0.2372632), wk = 0.0034965 k( 73) = ( 0.7627368 0.5000000 0.2372632), wk = 0.0034965 k( 74) = ( 0.7550093 0.5000000 0.2449907), wk = 0.0034965 k( 75) = ( 0.7472817 0.5000000 0.2527183), wk = 0.0034965 k( 76) = ( 0.7395542 0.5000000 0.2604458), wk = 0.0034965 k( 77) = ( 0.7318266 0.5000000 0.2681734), wk = 0.0034965 k( 78) = ( 0.7240991 0.5000000 0.2759009), wk = 0.0034965 k( 79) = ( 0.7163715 0.5000000 0.2836285), wk = 0.0034965 k( 80) = ( 0.7086440 0.5000000 0.2913561), wk = 0.0034965 k( 81) = ( 0.7009164 0.5000000 0.2990836), wk = 0.0034965 k( 82) = ( 0.6931888 0.5000000 0.3068112), wk = 0.0034965 k( 83) = ( 0.6854613 0.5000000 0.3145387), wk = 0.0034965 k( 84) = ( 0.6777337 0.5000000 0.3222663), wk = 0.0034965 k( 85) = ( 0.6700062 0.5000000 0.3299938), wk = 0.0034965 k( 86) = ( 0.6622786 0.5000000 0.3377214), wk = 0.0034965 k( 87) = ( 0.6545511 0.5000000 0.3454489), wk = 0.0034965 k( 88) = ( 0.6468235 0.5000000 0.3531765), wk = 0.0034965 k( 89) = ( 0.6390960 0.5000000 0.3609040), wk = 0.0034965 k( 90) = ( 0.6313684 0.5000000 0.3686316), wk = 0.0034965 k( 91) = ( 0.6236409 0.5000000 0.3763591), wk = 0.0034965 k( 92) = ( 0.6159133 0.5000000 0.3840867), wk = 0.0034965 k( 93) = ( 0.6081857 0.5000000 0.3918142), wk = 0.0034965 k( 94) = ( 0.6004582 0.5000000 0.3995418), wk = 0.0034965 k( 95) = ( 0.5927306 0.5000000 0.4072694), wk = 0.0034965 k( 96) = ( 0.5850031 0.5000000 0.4149969), wk = 0.0034965 k( 97) = ( 0.5772755 0.5000000 0.4227245), wk = 0.0034965 k( 98) = ( 0.5695480 0.5000000 0.4304520), wk = 0.0034965 k( 99) = ( 0.5618204 0.5000000 0.4381796), wk = 0.0034965 k( 100) = ( 0.5540929 0.5000000 0.4459071), wk = 0.0034965 k( 101) = ( 0.5463653 0.5000000 0.4536347), wk = 0.0034965 k( 102) = ( 0.5386378 0.5000000 0.4613622), wk = 0.0034965 k( 103) = ( 0.5309102 0.5000000 0.4690898), wk = 0.0034965 k( 104) = ( 0.5231827 0.5000000 0.4768173), wk = 0.0034965 k( 105) = ( 0.5154551 0.5000000 0.4845449), wk = 0.0034965 k( 106) = ( 0.5077276 0.5000000 0.4922725), wk = 0.0034965 k( 107) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034965 k( 108) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034965 k( 109) = ( 0.4864865 0.4864865 0.4864865), wk = 0.0034965 k( 110) = ( 0.4729730 0.4729730 0.4729730), wk = 0.0034965 k( 111) = ( 0.4594595 0.4594595 0.4594595), wk = 0.0034965 k( 112) = ( 0.4459459 0.4459459 0.4459459), wk = 0.0034965 k( 113) = ( 0.4324324 0.4324324 0.4324324), wk = 0.0034965 k( 114) = ( 0.4189189 0.4189189 0.4189189), wk = 0.0034965 k( 115) = ( 0.4054054 0.4054054 0.4054054), wk = 0.0034965 k( 116) = ( 0.3918919 0.3918919 0.3918919), wk = 0.0034965 k( 117) = ( 0.3783784 0.3783784 0.3783784), wk = 0.0034965 k( 118) = ( 0.3648649 0.3648649 0.3648649), wk = 0.0034965 k( 119) = ( 0.3513514 0.3513514 0.3513514), wk = 0.0034965 k( 120) = ( 0.3378378 0.3378378 0.3378378), wk = 0.0034965 k( 121) = ( 0.3243243 0.3243243 0.3243243), wk = 0.0034965 k( 122) = ( 0.3108108 0.3108108 0.3108108), wk = 0.0034965 k( 123) = ( 0.2972973 0.2972973 0.2972973), wk = 0.0034965 k( 124) = ( 0.2837838 0.2837838 0.2837838), wk = 0.0034965 k( 125) = ( 0.2702703 0.2702703 0.2702703), wk = 0.0034965 k( 126) = ( 0.2567568 0.2567568 0.2567568), wk = 0.0034965 k( 127) = ( 0.2432432 0.2432432 0.2432432), wk = 0.0034965 k( 128) = ( 0.2297297 0.2297297 0.2297297), wk = 0.0034965 k( 129) = ( 0.2162162 0.2162162 0.2162162), wk = 0.0034965 k( 130) = ( 0.2027027 0.2027027 0.2027027), wk = 0.0034965 k( 131) = ( 0.1891892 0.1891892 0.1891892), wk = 0.0034965 k( 132) = ( 0.1756757 0.1756757 0.1756757), wk = 0.0034965 k( 133) = ( 0.1621622 0.1621622 0.1621622), wk = 0.0034965 k( 134) = ( 0.1486486 0.1486487 0.1486486), wk = 0.0034965 k( 135) = ( 0.1351351 0.1351351 0.1351351), wk = 0.0034965 k( 136) = ( 0.1216216 0.1216216 0.1216216), wk = 0.0034965 k( 137) = ( 0.1081081 0.1081081 0.1081081), wk = 0.0034965 k( 138) = ( 0.0945946 0.0945946 0.0945946), wk = 0.0034965 k( 139) = ( 0.0810811 0.0810811 0.0810811), wk = 0.0034965 k( 140) = ( 0.0675676 0.0675676 0.0675676), wk = 0.0034965 k( 141) = ( 0.0540540 0.0540540 0.0540541), wk = 0.0034965 k( 142) = ( 0.0405405 0.0405405 0.0405405), wk = 0.0034965 k( 143) = ( 0.0270270 0.0270270 0.0270270), wk = 0.0034965 k( 144) = ( 0.0135135 0.0135135 0.0135135), wk = 0.0034965 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 147) = ( 0.0076798 0.0000000 -0.0076798), wk = 0.0034965 k( 148) = ( 0.0153597 0.0000000 -0.0153596), wk = 0.0034965 k( 149) = ( 0.0230395 0.0000000 -0.0230395), wk = 0.0034965 k( 150) = ( 0.0307193 0.0000000 -0.0307193), wk = 0.0034965 k( 151) = ( 0.0383991 -0.0000000 -0.0383991), wk = 0.0034965 k( 152) = ( 0.0460790 0.0000000 -0.0460790), wk = 0.0034965 k( 153) = ( 0.0537588 0.0000000 -0.0537588), wk = 0.0034965 k( 154) = ( 0.0614386 0.0000000 -0.0614386), wk = 0.0034965 k( 155) = ( 0.0691184 0.0000000 -0.0691184), wk = 0.0034965 k( 156) = ( 0.0767982 -0.0000000 -0.0767982), wk = 0.0034965 k( 157) = ( 0.0844781 0.0000000 -0.0844781), wk = 0.0034965 k( 158) = ( 0.0921579 0.0000000 -0.0921579), wk = 0.0034965 k( 159) = ( 0.0998377 0.0000000 -0.0998377), wk = 0.0034965 k( 160) = ( 0.1075176 0.0000000 -0.1075176), wk = 0.0034965 k( 161) = ( 0.1151974 0.0000000 -0.1151974), wk = 0.0034965 k( 162) = ( 0.1228772 0.0000000 -0.1228772), wk = 0.0034965 k( 163) = ( 0.1305570 0.0000000 -0.1305570), wk = 0.0034965 k( 164) = ( 0.1382368 -0.0000000 -0.1382368), wk = 0.0034965 k( 165) = ( 0.1459167 0.0000000 -0.1459167), wk = 0.0034965 k( 166) = ( 0.1535965 -0.0000000 -0.1535965), wk = 0.0034965 k( 167) = ( 0.1612763 0.0000000 -0.1612763), wk = 0.0034965 k( 168) = ( 0.1689561 0.0000000 -0.1689561), wk = 0.0034965 k( 169) = ( 0.1766360 0.0000000 -0.1766360), wk = 0.0034965 k( 170) = ( 0.1843158 0.0000000 -0.1843158), wk = 0.0034965 k( 171) = ( 0.1919956 0.0000000 -0.1919956), wk = 0.0034965 k( 172) = ( 0.1996754 0.0000000 -0.1996754), wk = 0.0034965 k( 173) = ( 0.2073553 0.0000000 -0.2073553), wk = 0.0034965 k( 174) = ( 0.2150351 -0.0000000 -0.2150351), wk = 0.0034965 k( 175) = ( 0.2227149 0.0000000 -0.2227149), wk = 0.0034965 k( 176) = ( 0.2303947 0.0000000 -0.2303947), wk = 0.0034965 k( 177) = ( 0.2380746 0.0000000 -0.2380746), wk = 0.0034965 k( 178) = ( 0.2457544 0.0000000 -0.2457544), wk = 0.0034965 k( 179) = ( 0.2534342 0.0000000 -0.2534342), wk = 0.0034965 k( 180) = ( 0.2611140 0.0000000 -0.2611140), wk = 0.0034965 k( 181) = ( 0.2687939 0.0000000 -0.2687939), wk = 0.0034965 k( 182) = ( 0.2764737 0.0000000 -0.2764737), wk = 0.0034965 k( 183) = ( 0.2841535 -0.0000000 -0.2841535), wk = 0.0034965 k( 184) = ( 0.2918333 0.0000000 -0.2918333), wk = 0.0034965 k( 185) = ( 0.2995132 0.0000000 -0.2995132), wk = 0.0034965 k( 186) = ( 0.3071930 0.0000000 -0.3071930), wk = 0.0034965 k( 187) = ( 0.3148728 0.0000000 -0.3148728), wk = 0.0034965 k( 188) = ( 0.3225526 0.0000000 -0.3225526), wk = 0.0034965 k( 189) = ( 0.3302325 0.0000000 -0.3302325), wk = 0.0034965 k( 190) = ( 0.3379123 0.0000000 -0.3379123), wk = 0.0034965 k( 191) = ( 0.3455921 0.0000000 -0.3455921), wk = 0.0034965 k( 192) = ( 0.3532719 0.0000000 -0.3532719), wk = 0.0034965 k( 193) = ( 0.3609518 0.0000000 -0.3609518), wk = 0.0034965 k( 194) = ( 0.3686316 0.0000000 -0.3686316), wk = 0.0034965 k( 195) = ( 0.6313684 0.3686316 0.0000000), wk = 0.0034965 k( 196) = ( 0.6236409 0.3763591 -0.0000000), wk = 0.0034965 k( 197) = ( 0.6159133 0.3840867 0.0000000), wk = 0.0034965 k( 198) = ( 0.6081857 0.3918142 0.0000000), wk = 0.0034965 k( 199) = ( 0.6004582 0.3995418 0.0000000), wk = 0.0034965 k( 200) = ( 0.5927306 0.4072694 0.0000000), wk = 0.0034965 k( 201) = ( 0.5850031 0.4149969 0.0000000), wk = 0.0034965 k( 202) = ( 0.5772755 0.4227245 0.0000000), wk = 0.0034965 k( 203) = ( 0.5695480 0.4304520 0.0000000), wk = 0.0034965 k( 204) = ( 0.5618204 0.4381796 0.0000000), wk = 0.0034965 k( 205) = ( 0.5540929 0.4459071 0.0000000), wk = 0.0034965 k( 206) = ( 0.5463653 0.4536347 0.0000000), wk = 0.0034965 k( 207) = ( 0.5386378 0.4613622 0.0000000), wk = 0.0034965 k( 208) = ( 0.5309102 0.4690898 0.0000000), wk = 0.0034965 k( 209) = ( 0.5231827 0.4768173 0.0000000), wk = 0.0034965 k( 210) = ( 0.5154551 0.4845449 0.0000000), wk = 0.0034965 k( 211) = ( 0.5077276 0.4922724 -0.0000000), wk = 0.0034965 k( 212) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034965 k( 213) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034965 k( 214) = ( 0.5087579 0.5087579 0.0158176), wk = 0.0034965 k( 215) = ( 0.5175158 0.5175158 0.0316351), wk = 0.0034965 k( 216) = ( 0.5262737 0.5262737 0.0474526), wk = 0.0034965 k( 217) = ( 0.5350316 0.5350316 0.0632702), wk = 0.0034965 k( 218) = ( 0.5437895 0.5437895 0.0790877), wk = 0.0034965 k( 219) = ( 0.5525474 0.5525474 0.0949053), wk = 0.0034965 k( 220) = ( 0.5613053 0.5613053 0.1107228), wk = 0.0034965 k( 221) = ( 0.5700631 0.5700631 0.1265404), wk = 0.0034965 k( 222) = ( 0.5788210 0.5788211 0.1423579), wk = 0.0034965 k( 223) = ( 0.5875789 0.5875789 0.1581754), wk = 0.0034965 k( 224) = ( 0.5963368 0.5963368 0.1739930), wk = 0.0034965 k( 225) = ( 0.6050947 0.6050947 0.1898105), wk = 0.0034965 k( 226) = ( 0.6138526 0.6138526 0.2056281), wk = 0.0034965 k( 227) = ( 0.6226105 0.6226105 0.2214456), wk = 0.0034965 k( 228) = ( 0.6313684 0.6313684 0.2372632), wk = 0.0034965 k( 229) = ( 0.6313684 0.6313684 0.2372632), wk = 0.0034965 k( 230) = ( 0.6269895 0.6269895 0.2460211), wk = 0.0034965 k( 231) = ( 0.6226105 0.6226105 0.2547790), wk = 0.0034965 k( 232) = ( 0.6182316 0.6182316 0.2635369), wk = 0.0034965 k( 233) = ( 0.6138526 0.6138526 0.2722947), wk = 0.0034965 k( 234) = ( 0.6094737 0.6094737 0.2810526), wk = 0.0034965 k( 235) = ( 0.6050947 0.6050947 0.2898105), wk = 0.0034965 k( 236) = ( 0.6007158 0.6007158 0.2985684), wk = 0.0034965 k( 237) = ( 0.5963368 0.5963368 0.3073263), wk = 0.0034965 k( 238) = ( 0.5919579 0.5919579 0.3160842), wk = 0.0034965 k( 239) = ( 0.5875789 0.5875789 0.3248421), wk = 0.0034965 k( 240) = ( 0.5832000 0.5832000 0.3336000), wk = 0.0034965 k( 241) = ( 0.5788210 0.5788211 0.3423579), wk = 0.0034965 k( 242) = ( 0.5744421 0.5744421 0.3511158), wk = 0.0034965 k( 243) = ( 0.5700631 0.5700631 0.3598737), wk = 0.0034965 k( 244) = ( 0.5656842 0.5656842 0.3686316), wk = 0.0034965 k( 245) = ( 0.5613053 0.5613053 0.3773895), wk = 0.0034965 k( 246) = ( 0.5569263 0.5569263 0.3861474), wk = 0.0034965 k( 247) = ( 0.5525474 0.5525474 0.3949053), wk = 0.0034965 k( 248) = ( 0.5481684 0.5481684 0.4036632), wk = 0.0034965 k( 249) = ( 0.5437895 0.5437895 0.4124211), wk = 0.0034965 k( 250) = ( 0.5394105 0.5394105 0.4211790), wk = 0.0034965 k( 251) = ( 0.5350316 0.5350316 0.4299368), wk = 0.0034965 k( 252) = ( 0.5306526 0.5306526 0.4386947), wk = 0.0034965 k( 253) = ( 0.5262737 0.5262737 0.4474526), wk = 0.0034965 k( 254) = ( 0.5218947 0.5218947 0.4562105), wk = 0.0034965 k( 255) = ( 0.5175158 0.5175158 0.4649684), wk = 0.0034965 k( 256) = ( 0.5131368 0.5131368 0.4737263), wk = 0.0034965 k( 257) = ( 0.5087579 0.5087579 0.4824842), wk = 0.0034965 k( 258) = ( 0.5043789 0.5043789 0.4912421), wk = 0.0034965 k( 259) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034965 k( 260) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034965 k( 261) = ( 0.5101053 0.0141781 0.0141781), wk = 0.0034965 k( 262) = ( 0.5202105 0.0283563 0.0283563), wk = 0.0034965 k( 263) = ( 0.5303158 0.0425344 0.0425344), wk = 0.0034965 k( 264) = ( 0.5404210 0.0567126 0.0567126), wk = 0.0034965 k( 265) = ( 0.5505263 0.0708907 0.0708907), wk = 0.0034965 k( 266) = ( 0.5606316 0.0850688 0.0850688), wk = 0.0034965 k( 267) = ( 0.5707368 0.0992470 0.0992470), wk = 0.0034965 k( 268) = ( 0.5808421 0.1134251 0.1134251), wk = 0.0034965 k( 269) = ( 0.5909474 0.1276032 0.1276032), wk = 0.0034965 k( 270) = ( 0.6010526 0.1417814 0.1417814), wk = 0.0034965 k( 271) = ( 0.6111579 0.1559595 0.1559595), wk = 0.0034965 k( 272) = ( 0.6212631 0.1701377 0.1701377), wk = 0.0034965 k( 273) = ( 0.6313684 0.1843158 0.1843158), wk = 0.0034965 k( 274) = ( 0.6414737 0.1984939 0.1984939), wk = 0.0034965 k( 275) = ( 0.6515789 0.2126721 0.2126721), wk = 0.0034965 k( 276) = ( 0.6616842 0.2268502 0.2268502), wk = 0.0034965 k( 277) = ( 0.6717895 0.2410284 0.2410284), wk = 0.0034965 k( 278) = ( 0.6818947 0.2552065 0.2552065), wk = 0.0034965 k( 279) = ( 0.6920000 0.2693846 0.2693846), wk = 0.0034965 k( 280) = ( 0.7021053 0.2835628 0.2835628), wk = 0.0034965 k( 281) = ( 0.7122105 0.2977409 0.2977409), wk = 0.0034965 k( 282) = ( 0.7223158 0.3119190 0.3119190), wk = 0.0034965 k( 283) = ( 0.7324210 0.3260972 0.3260972), wk = 0.0034965 k( 284) = ( 0.7425263 0.3402753 0.3402753), wk = 0.0034965 k( 285) = ( 0.7526316 0.3544535 0.3544535), wk = 0.0034965 k( 286) = ( 0.7627368 0.3686316 0.3686316), wk = 0.0034965 Dense grid: 60389 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 26675 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 192, 58) NL pseudopotentials 0.22 Mb ( 96, 152) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1677) G-vector shells 0.01 Mb ( 1412) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.68 Mb ( 192, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.27 Mb ( 152, 2, 58) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./TeO3.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.3 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.3 secs Computing kpt #: 4 total cpu time spent up to now is 3.8 secs Computing kpt #: 5 total cpu time spent up to now is 4.3 secs Computing kpt #: 6 total cpu time spent up to now is 4.8 secs Computing kpt #: 7 total cpu time spent up to now is 5.3 secs Computing kpt #: 8 total cpu time spent up to now is 5.8 secs Computing kpt #: 9 total cpu time spent up to now is 6.4 secs Computing kpt #: 10 total cpu time spent up to now is 6.9 secs Computing kpt #: 11 total cpu time spent up to now is 7.4 secs Computing kpt #: 12 total cpu time spent up to now is 7.9 secs Computing kpt #: 13 total cpu time spent up to now is 8.5 secs Computing kpt #: 14 total cpu time spent up to now is 9.0 secs Computing kpt #: 15 total cpu time spent up to now is 9.5 secs Computing kpt #: 16 total cpu time spent up to now is 10.1 secs Computing kpt #: 17 total cpu time spent up to now is 10.7 secs Computing kpt #: 18 total cpu time spent up to now is 11.2 secs Computing kpt #: 19 total cpu time spent up to now is 11.8 secs Computing kpt #: 20 total cpu time spent up to now is 12.3 secs Computing kpt #: 21 total cpu time spent up to now is 12.9 secs Computing kpt #: 22 total cpu time spent up to now is 13.4 secs Computing kpt #: 23 total cpu time spent up to now is 14.1 secs Computing kpt #: 24 total cpu time spent up to now is 14.8 secs Computing kpt #: 25 total cpu time spent up to now is 15.6 secs Computing kpt #: 26 total cpu time spent up to now is 16.5 secs Computing kpt #: 27 total cpu time spent up to now is 17.3 secs Computing kpt #: 28 total cpu time spent up to now is 18.1 secs Computing kpt #: 29 total cpu time spent up to now is 19.0 secs Computing kpt #: 30 total cpu time spent up to now is 20.0 secs Computing kpt #: 31 total cpu time spent up to now is 21.5 secs Computing kpt #: 32 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 23.2 secs Computing kpt #: 33 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 24.9 secs Computing kpt #: 34 total cpu time spent up to now is 25.9 secs Computing kpt #: 35 total cpu time spent up to now is 26.7 secs Computing kpt #: 36 total cpu time spent up to now is 27.4 secs Computing kpt #: 37 total cpu time spent up to now is 28.3 secs Computing kpt #: 38 total cpu time spent up to now is 29.1 secs Computing kpt #: 39 total cpu time spent up to now is 29.8 secs Computing kpt #: 40 total cpu time spent up to now is 30.5 secs Computing kpt #: 41 total cpu time spent up to now is 31.3 secs Computing kpt #: 42 total cpu time spent up to now is 32.3 secs Computing kpt #: 43 total cpu time spent up to now is 33.2 secs Computing kpt #: 44 total cpu time spent up to now is 34.1 secs Computing kpt #: 45 total cpu time spent up to now is 34.9 secs Computing kpt #: 46 total cpu time spent up to now is 35.8 secs Computing kpt #: 47 total cpu time spent up to now is 36.4 secs Computing kpt #: 48 total cpu time spent up to now is 37.0 secs Computing kpt #: 49 total cpu time spent up to now is 37.5 secs Computing kpt #: 50 total cpu time spent up to now is 38.1 secs Computing kpt #: 51 total cpu time spent up to now is 39.0 secs Computing kpt #: 52 total cpu time spent up to now is 39.9 secs Computing kpt #: 53 total cpu time spent up to now is 40.8 secs Computing kpt #: 54 total cpu time spent up to now is 41.4 secs Computing kpt #: 55 total cpu time spent up to now is 42.4 secs Computing kpt #: 56 total cpu time spent up to now is 43.3 secs Computing kpt #: 57 total cpu time spent up to now is 44.2 secs Computing kpt #: 58 total cpu time spent up to now is 45.0 secs Computing kpt #: 59 total cpu time spent up to now is 45.6 secs Computing kpt #: 60 total cpu time spent up to now is 46.6 secs Computing kpt #: 61 total cpu time spent up to now is 47.4 secs Computing kpt #: 62 total cpu time spent up to now is 48.3 secs Computing kpt #: 63 total cpu time spent up to now is 49.1 secs Computing kpt #: 64 total cpu time spent up to now is 50.0 secs Computing kpt #: 65 total cpu time spent up to now is 50.6 secs Computing kpt #: 66 total cpu time spent up to now is 51.4 secs Computing kpt #: 67 total cpu time spent up to now is 52.3 secs Computing kpt #: 68 total cpu time spent up to now is 53.0 secs Computing kpt #: 69 total cpu time spent up to now is 53.9 secs Computing kpt #: 70 total cpu time spent up to now is 54.6 secs Computing kpt #: 71 total cpu time spent up to now is 55.5 secs Computing kpt #: 72 total cpu time spent up to now is 56.2 secs Computing kpt #: 73 total cpu time spent up to now is 56.9 secs Computing kpt #: 74 total cpu time spent up to now is 57.5 secs Computing kpt #: 75 total cpu time spent up to now is 58.4 secs Computing kpt #: 76 total cpu time spent up to now is 59.7 secs Computing kpt #: 77 total cpu time spent up to now is 60.5 secs Computing kpt #: 78 total cpu time spent up to now is 61.6 secs Computing kpt #: 79 total cpu time spent up to now is 62.2 secs Computing kpt #: 80 total cpu time spent up to now is 62.7 secs Computing kpt #: 81 total cpu time spent up to now is 63.6 secs Computing kpt #: 82 total cpu time spent up to now is 64.3 secs Computing kpt #: 83 total cpu time spent up to now is 65.2 secs Computing kpt #: 84 total cpu time spent up to now is 66.2 secs Computing kpt #: 85 total cpu time spent up to now is 66.9 secs Computing kpt #: 86 total cpu time spent up to now is 67.9 secs Computing kpt #: 87 total cpu time spent up to now is 68.8 secs Computing kpt #: 88 total cpu time spent up to now is 70.1 secs Computing kpt #: 89 total cpu time spent up to now is 71.2 secs Computing kpt #: 90 total cpu time spent up to now is 72.6 secs Computing kpt #: 91 total cpu time spent up to now is 73.8 secs Computing kpt #: 92 total cpu time spent up to now is 74.6 secs Computing kpt #: 93 total cpu time spent up to now is 75.6 secs Computing kpt #: 94 total cpu time spent up to now is 76.6 secs Computing kpt #: 95 total cpu time spent up to now is 77.8 secs Computing kpt #: 96 total cpu time spent up to now is 78.8 secs Computing kpt #: 97 total cpu time spent up to now is 79.8 secs Computing kpt #: 98 total cpu time spent up to now is 80.7 secs Computing kpt #: 99 total cpu time spent up to now is 81.5 secs Computing kpt #: 100 total cpu time spent up to now is 82.4 secs Computing kpt #: 101 total cpu time spent up to now is 83.2 secs Computing kpt #: 102 total cpu time spent up to now is 84.1 secs Computing kpt #: 103 total cpu time spent up to now is 85.1 secs Computing kpt #: 104 total cpu time spent up to now is 86.3 secs Computing kpt #: 105 total cpu time spent up to now is 87.2 secs Computing kpt #: 106 total cpu time spent up to now is 88.2 secs Computing kpt #: 107 total cpu time spent up to now is 89.0 secs Computing kpt #: 108 total cpu time spent up to now is 89.9 secs Computing kpt #: 109 total cpu time spent up to now is 90.9 secs Computing kpt #: 110 total cpu time spent up to now is 91.8 secs Computing kpt #: 111 total cpu time spent up to now is 92.6 secs Computing kpt #: 112 total cpu time spent up to now is 93.5 secs Computing kpt #: 113 total cpu time spent up to now is 94.2 secs Computing kpt #: 114 total cpu time spent up to now is 94.9 secs Computing kpt #: 115 total cpu time spent up to now is 95.8 secs Computing kpt #: 116 total cpu time spent up to now is 96.4 secs Computing kpt #: 117 total cpu time spent up to now is 97.1 secs Computing kpt #: 118 total cpu time spent up to now is 97.8 secs Computing kpt #: 119 total cpu time spent up to now is 98.4 secs Computing kpt #: 120 total cpu time spent up to now is 98.9 secs Computing kpt #: 121 total cpu time spent up to now is 99.5 secs Computing kpt #: 122 total cpu time spent up to now is 100.0 secs Computing kpt #: 123 total cpu time spent up to now is 100.5 secs Computing kpt #: 124 total cpu time spent up to now is 101.1 secs Computing kpt #: 125 total cpu time spent up to now is 101.6 secs Computing kpt #: 126 total cpu time spent up to now is 102.2 secs Computing kpt #: 127 total cpu time spent up to now is 102.7 secs Computing kpt #: 128 total cpu time spent up to now is 103.3 secs Computing kpt #: 129 total cpu time spent up to now is 103.8 secs Computing kpt #: 130 total cpu time spent up to now is 104.3 secs Computing kpt #: 131 total cpu time spent up to now is 104.8 secs Computing kpt #: 132 total cpu time spent up to now is 105.4 secs Computing kpt #: 133 total cpu time spent up to now is 105.9 secs Computing kpt #: 134 total cpu time spent up to now is 106.4 secs Computing kpt #: 135 total cpu time spent up to now is 106.9 secs Computing kpt #: 136 total cpu time spent up to now is 107.5 secs Computing kpt #: 137 total cpu time spent up to now is 108.0 secs Computing kpt #: 138 total cpu time spent up to now is 108.5 secs Computing kpt #: 139 total cpu time spent up to now is 109.0 secs Computing kpt #: 140 total cpu time spent up to now is 109.5 secs Computing kpt #: 141 total cpu time spent up to now is 110.0 secs Computing kpt #: 142 total cpu time spent up to now is 110.5 secs Computing kpt #: 143 total cpu time spent up to now is 111.0 secs Computing kpt #: 144 total cpu time spent up to now is 111.5 secs Computing kpt #: 145 total cpu time spent up to now is 112.0 secs Computing kpt #: 146 total cpu time spent up to now is 112.5 secs Computing kpt #: 147 total cpu time spent up to now is 113.0 secs Computing kpt #: 148 total cpu time spent up to now is 113.5 secs Computing kpt #: 149 total cpu time spent up to now is 114.0 secs Computing kpt #: 150 total cpu time spent up to now is 114.5 secs Computing kpt #: 151 total cpu time spent up to now is 115.0 secs Computing kpt #: 152 total cpu time spent up to now is 115.5 secs Computing kpt #: 153 total cpu time spent up to now is 116.0 secs Computing kpt #: 154 total cpu time spent up to now is 116.6 secs Computing kpt #: 155 total cpu time spent up to now is 117.1 secs Computing kpt #: 156 total cpu time spent up to now is 117.6 secs Computing kpt #: 157 total cpu time spent up to now is 118.1 secs Computing kpt #: 158 total cpu time spent up to now is 118.7 secs Computing kpt #: 159 total cpu time spent up to now is 119.2 secs Computing kpt #: 160 total cpu time spent up to now is 119.7 secs Computing kpt #: 161 total cpu time spent up to now is 120.3 secs Computing kpt #: 162 total cpu time spent up to now is 120.9 secs Computing kpt #: 163 total cpu time spent up to now is 121.4 secs Computing kpt #: 164 total cpu time spent up to now is 121.9 secs Computing kpt #: 165 total cpu time spent up to now is 122.6 secs Computing kpt #: 166 total cpu time spent up to now is 123.2 secs Computing kpt #: 167 total cpu time spent up to now is 123.9 secs Computing kpt #: 168 total cpu time spent up to now is 124.6 secs Computing kpt #: 169 total cpu time spent up to now is 125.5 secs Computing kpt #: 170 total cpu time spent up to now is 126.3 secs Computing kpt #: 171 total cpu time spent up to now is 127.0 secs Computing kpt #: 172 total cpu time spent up to now is 127.9 secs Computing kpt #: 173 total cpu time spent up to now is 128.8 secs Computing kpt #: 174 total cpu time spent up to now is 129.5 secs Computing kpt #: 175 total cpu time spent up to now is 130.2 secs Computing kpt #: 176 total cpu time spent up to now is 130.9 secs Computing kpt #: 177 total cpu time spent up to now is 131.6 secs Computing kpt #: 178 total cpu time spent up to now is 132.3 secs Computing kpt #: 179 total cpu time spent up to now is 133.0 secs Computing kpt #: 180 total cpu time spent up to now is 133.6 secs Computing kpt #: 181 total cpu time spent up to now is 134.3 secs Computing kpt #: 182 total cpu time spent up to now is 135.0 secs Computing kpt #: 183 total cpu time spent up to now is 135.7 secs Computing kpt #: 184 total cpu time spent up to now is 136.6 secs Computing kpt #: 185 total cpu time spent up to now is 137.4 secs Computing kpt #: 186 total cpu time spent up to now is 138.2 secs Computing kpt #: 187 total cpu time spent up to now is 139.0 secs Computing kpt #: 188 total cpu time spent up to now is 139.8 secs Computing kpt #: 189 total cpu time spent up to now is 140.6 secs Computing kpt #: 190 total cpu time spent up to now is 141.3 secs Computing kpt #: 191 total cpu time spent up to now is 141.9 secs Computing kpt #: 192 total cpu time spent up to now is 142.4 secs Computing kpt #: 193 total cpu time spent up to now is 143.0 secs Computing kpt #: 194 total cpu time spent up to now is 143.5 secs Computing kpt #: 195 total cpu time spent up to now is 144.0 secs Computing kpt #: 196 total cpu time spent up to now is 144.6 secs Computing kpt #: 197 total cpu time spent up to now is 145.1 secs Computing kpt #: 198 total cpu time spent up to now is 145.7 secs Computing kpt #: 199 total cpu time spent up to now is 146.2 secs Computing kpt #: 200 total cpu time spent up to now is 146.8 secs Computing kpt #: 201 total cpu time spent up to now is 147.4 secs Computing kpt #: 202 total cpu time spent up to now is 147.9 secs Computing kpt #: 203 total cpu time spent up to now is 148.5 secs Computing kpt #: 204 total cpu time spent up to now is 149.0 secs Computing kpt #: 205 total cpu time spent up to now is 149.6 secs Computing kpt #: 206 total cpu time spent up to now is 150.1 secs Computing kpt #: 207 total cpu time spent up to now is 150.6 secs Computing kpt #: 208 total cpu time spent up to now is 151.2 secs Computing kpt #: 209 total cpu time spent up to now is 151.7 secs Computing kpt #: 210 total cpu time spent up to now is 152.3 secs Computing kpt #: 211 total cpu time spent up to now is 152.8 secs Computing kpt #: 212 total cpu time spent up to now is 153.3 secs Computing kpt #: 213 total cpu time spent up to now is 153.8 secs Computing kpt #: 214 total cpu time spent up to now is 154.4 secs Computing kpt #: 215 total cpu time spent up to now is 154.9 secs Computing kpt #: 216 total cpu time spent up to now is 155.5 secs Computing kpt #: 217 total cpu time spent up to now is 156.0 secs Computing kpt #: 218 total cpu time spent up to now is 156.5 secs Computing kpt #: 219 total cpu time spent up to now is 157.1 secs Computing kpt #: 220 total cpu time spent up to now is 157.6 secs Computing kpt #: 221 total cpu time spent up to now is 158.2 secs Computing kpt #: 222 total cpu time spent up to now is 158.7 secs Computing kpt #: 223 total cpu time spent up to now is 159.2 secs Computing kpt #: 224 total cpu time spent up to now is 159.8 secs Computing kpt #: 225 total cpu time spent up to now is 160.3 secs Computing kpt #: 226 total cpu time spent up to now is 160.9 secs Computing kpt #: 227 total cpu time spent up to now is 161.4 secs Computing kpt #: 228 total cpu time spent up to now is 162.0 secs Computing kpt #: 229 total cpu time spent up to now is 162.5 secs Computing kpt #: 230 total cpu time spent up to now is 163.0 secs Computing kpt #: 231 total cpu time spent up to now is 163.6 secs Computing kpt #: 232 total cpu time spent up to now is 164.1 secs Computing kpt #: 233 total cpu time spent up to now is 164.6 secs Computing kpt #: 234 total cpu time spent up to now is 165.2 secs Computing kpt #: 235 total cpu time spent up to now is 165.7 secs Computing kpt #: 236 total cpu time spent up to now is 166.2 secs Computing kpt #: 237 total cpu time spent up to now is 166.8 secs Computing kpt #: 238 total cpu time spent up to now is 167.3 secs Computing kpt #: 239 total cpu time spent up to now is 167.8 secs Computing kpt #: 240 total cpu time spent up to now is 168.4 secs Computing kpt #: 241 total cpu time spent up to now is 168.9 secs Computing kpt #: 242 total cpu time spent up to now is 169.5 secs Computing kpt #: 243 total cpu time spent up to now is 170.0 secs Computing kpt #: 244 total cpu time spent up to now is 170.5 secs Computing kpt #: 245 total cpu time spent up to now is 171.2 secs Computing kpt #: 246 total cpu time spent up to now is 171.8 secs Computing kpt #: 247 total cpu time spent up to now is 172.4 secs Computing kpt #: 248 total cpu time spent up to now is 173.2 secs Computing kpt #: 249 total cpu time spent up to now is 174.1 secs Computing kpt #: 250 total cpu time spent up to now is 174.8 secs Computing kpt #: 251 total cpu time spent up to now is 175.7 secs Computing kpt #: 252 total cpu time spent up to now is 176.5 secs Computing kpt #: 253 total cpu time spent up to now is 177.4 secs Computing kpt #: 254 total cpu time spent up to now is 178.2 secs Computing kpt #: 255 total cpu time spent up to now is 179.2 secs Computing kpt #: 256 total cpu time spent up to now is 180.1 secs Computing kpt #: 257 total cpu time spent up to now is 181.3 secs Computing kpt #: 258 total cpu time spent up to now is 182.4 secs Computing kpt #: 259 total cpu time spent up to now is 183.2 secs Computing kpt #: 260 total cpu time spent up to now is 183.7 secs Computing kpt #: 261 total cpu time spent up to now is 184.7 secs Computing kpt #: 262 total cpu time spent up to now is 185.6 secs Computing kpt #: 263 total cpu time spent up to now is 186.6 secs Computing kpt #: 264 total cpu time spent up to now is 187.5 secs Computing kpt #: 265 total cpu time spent up to now is 188.3 secs Computing kpt #: 266 total cpu time spent up to now is 189.1 secs Computing kpt #: 267 total cpu time spent up to now is 189.7 secs Computing kpt #: 268 total cpu time spent up to now is 190.5 secs Computing kpt #: 269 total cpu time spent up to now is 191.0 secs Computing kpt #: 270 total cpu time spent up to now is 191.7 secs Computing kpt #: 271 total cpu time spent up to now is 192.5 secs Computing kpt #: 272 total cpu time spent up to now is 193.2 secs Computing kpt #: 273 total cpu time spent up to now is 193.7 secs Computing kpt #: 274 total cpu time spent up to now is 194.4 secs Computing kpt #: 275 total cpu time spent up to now is 195.0 secs Computing kpt #: 276 total cpu time spent up to now is 195.5 secs Computing kpt #: 277 total cpu time spent up to now is 196.1 secs Computing kpt #: 278 total cpu time spent up to now is 196.6 secs Computing kpt #: 279 total cpu time spent up to now is 197.2 secs Computing kpt #: 280 total cpu time spent up to now is 197.7 secs Computing kpt #: 281 total cpu time spent up to now is 198.3 secs Computing kpt #: 282 total cpu time spent up to now is 198.8 secs Computing kpt #: 283 total cpu time spent up to now is 199.3 secs Computing kpt #: 284 total cpu time spent up to now is 199.8 secs Computing kpt #: 285 total cpu time spent up to now is 200.4 secs Computing kpt #: 286 total cpu time spent up to now is 200.9 secs ethr = 2.08E-08, avg # of iterations = 28.9 total cpu time spent up to now is 200.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3329 PWs) bands (ev): -14.3740 -14.3740 -11.3010 -11.3010 -11.1819 -11.1819 -11.1407 -11.1407 -9.9372 -9.9372 -9.9364 -9.9364 -7.0446 -7.0446 -1.3934 -1.3934 -1.0233 -1.0233 -0.3621 -0.3621 2.1303 2.1303 2.9462 2.9462 3.1866 3.1866 3.1962 3.1962 3.8121 3.8121 4.1360 4.1360 4.1481 4.1481 5.4371 5.4371 5.5047 5.5047 6.2078 6.2078 6.2233 6.2233 6.2814 6.2814 6.4924 6.4924 6.5056 6.5056 8.0528 8.0528 12.5071 12.5071 13.2643 13.2643 13.5067 13.5067 13.7942 13.7942 k = 0.0128-0.0085-0.0059 ( 3332 PWs) bands (ev): -14.3732 -14.3732 -11.3012 -11.3012 -11.1825 -11.1825 -11.1416 -11.1416 -9.9379 -9.9379 -9.9371 -9.9371 -7.0416 -7.0416 -1.3939 -1.3939 -1.0242 -1.0242 -0.3620 -0.3620 2.1348 2.1348 2.9472 2.9472 3.1852 3.1852 3.1959 3.1959 3.8136 3.8136 4.1342 4.1342 4.1472 4.1472 5.4369 5.4369 5.5042 5.5042 6.2058 6.2058 6.2213 6.2213 6.2807 6.2807 6.4926 6.4926 6.5059 6.5059 8.0559 8.0559 12.5066 12.5066 13.2634 13.2634 13.4941 13.4941 13.8119 13.8119 k = 0.0256-0.0170-0.0117 ( 3330 PWs) bands (ev): -14.3706 -14.3706 -11.3021 -11.3021 -11.1842 -11.1842 -11.1440 -11.1440 -9.9403 -9.9403 -9.9391 -9.9391 -7.0327 -7.0327 -1.3958 -1.3958 -1.0268 -1.0268 -0.3618 -0.3618 2.1482 2.1482 2.9502 2.9502 3.1775 3.1775 3.1987 3.1987 3.8179 3.8179 4.1256 4.1256 4.1480 4.1480 5.4360 5.4360 5.5029 5.5029 6.1987 6.1987 6.2166 6.2166 6.2786 6.2786 6.4925 6.4925 6.5071 6.5071 8.0650 8.0650 12.5050 12.5050 13.2597 13.2597 13.4658 13.4658 13.8571 13.8571 k = 0.0385-0.0256-0.0176 ( 3328 PWs) bands (ev): -14.3663 -14.3663 -11.3040 -11.3040 -11.1878 -11.1878 -11.1469 -11.1469 -9.9443 -9.9443 -9.9422 -9.9422 -7.0179 -7.0179 -1.3997 -1.3997 -1.0304 -1.0304 -0.3611 -0.3611 2.1701 2.1701 2.9553 2.9553 3.1628 3.1628 3.2059 3.2059 3.8235 3.8235 4.1083 4.1083 4.1530 4.1530 5.4343 5.4343 5.5009 5.5009 6.1853 6.1853 6.2112 6.2112 6.2751 6.2751 6.4908 6.4908 6.5102 6.5102 8.0800 8.0800 12.5015 12.5015 13.2501 13.2501 13.4379 13.4379 13.9175 13.9175 k = 0.0513-0.0341-0.0235 ( 3321 PWs) bands (ev): -14.3602 -14.3602 -11.3078 -11.3078 -11.1937 -11.1937 -11.1488 -11.1488 -9.9501 -9.9501 -9.9465 -9.9465 -6.9974 -6.9974 -1.4068 -1.4068 -1.0338 -1.0338 -0.3595 -0.3595 2.2003 2.2003 2.9623 2.9623 3.1430 3.1430 3.2165 3.2165 3.8289 3.8289 4.0836 4.0836 4.1622 4.1622 5.4312 5.4312 5.4985 5.4985 6.1659 6.1659 6.2052 6.2052 6.2706 6.2706 6.4873 6.4873 6.5151 6.5151 8.1004 8.1004 12.4948 12.4948 13.2317 13.2317 13.4216 13.4216 13.9858 13.9858 k = 0.0641-0.0426-0.0294 ( 3323 PWs) bands (ev): -14.3525 -14.3525 -11.3147 -11.3147 -11.2011 -11.2011 -11.1491 -11.1491 -9.9574 -9.9574 -9.9520 -9.9520 -6.9713 -6.9713 -1.4186 -1.4186 -1.0356 -1.0356 -0.3567 -0.3567 2.2380 2.2380 2.9711 2.9711 3.1191 3.1191 3.2303 3.2303 3.8322 3.8322 4.0519 4.0519 4.1763 4.1763 5.4262 5.4262 5.4963 5.4963 6.1418 6.1418 6.1982 6.1982 6.2652 6.2652 6.4824 6.4824 6.5208 6.5208 8.1257 8.1257 12.4833 12.4833 13.2061 13.2061 13.4206 13.4206 14.0584 14.0584 k = 0.0769-0.0511-0.0352 ( 3322 PWs) bands (ev): -14.3430 -14.3430 -11.3265 -11.3265 -11.2082 -11.2082 -11.1477 -11.1477 -9.9664 -9.9664 -9.9587 -9.9587 -6.9398 -6.9398 -1.4367 -1.4367 -1.0342 -1.0342 -0.3521 -0.3521 2.2828 2.2828 2.9817 2.9817 3.0923 3.0923 3.2471 3.2471 3.8316 3.8316 4.0138 4.0138 4.1958 4.1958 5.4185 5.4185 5.4947 5.4947 6.1141 6.1141 6.1899 6.1899 6.2592 6.2592 6.4764 6.4764 6.5269 6.5269 8.1554 8.1554 12.4649 12.4649 13.1794 13.1794 13.4323 13.4323 14.1336 14.1336 k = 0.0897-0.0597-0.0411 ( 3324 PWs) bands (ev): -14.3318 -14.3318 -11.3444 -11.3444 -11.2131 -11.2131 -11.1450 -11.1450 -9.9768 -9.9768 -9.9665 -9.9665 -6.9031 -6.9031 -1.4623 -1.4623 -1.0279 -1.0279 -0.3454 -0.3454 2.3339 2.3339 2.9935 2.9935 3.0636 3.0636 3.2669 3.2669 3.8263 3.8263 3.9698 3.9698 4.2209 4.2209 5.4078 5.4078 5.4941 5.4941 6.0835 6.0835 6.1804 6.1804 6.2527 6.2527 6.4696 6.4696 6.5327 6.5327 8.1887 8.1887 12.4379 12.4379 13.1577 13.1577 13.4533 13.4533 14.2104 14.2104 k = 0.1026-0.0682-0.0470 ( 3325 PWs) bands (ev): -14.3189 -14.3189 -11.3690 -11.3690 -11.2149 -11.2149 -11.1411 -11.1411 -9.9887 -9.9887 -9.9755 -9.9755 -6.8613 -6.8613 -1.4963 -1.4963 -1.0160 -1.0160 -0.3362 -0.3362 2.3906 2.3906 3.0037 3.0037 3.0364 3.0364 3.2895 3.2895 3.8157 3.8157 3.9207 3.9207 4.2514 4.2514 5.3936 5.3936 5.4945 5.4945 6.0509 6.0509 6.1695 6.1695 6.2459 6.2459 6.4622 6.4622 6.5381 6.5381 8.2251 8.2251 12.4007 12.4007 13.1450 13.1450 13.4814 13.4814 14.2884 14.2884 k = 0.1154-0.0767-0.0528 ( 3325 PWs) bands (ev): -14.3043 -14.3043 -11.3998 -11.3998 -11.2137 -11.2137 -11.1362 -11.1362 -10.0021 -10.0021 -9.9856 -9.9856 -6.8149 -6.8149 -1.5386 -1.5386 -0.9980 -0.9980 -0.3243 -0.3243 2.4521 2.4521 2.9912 2.9912 3.0320 3.0320 3.3148 3.3148 3.7989 3.7989 3.8679 3.8679 4.2865 4.2865 5.3760 5.3760 5.4958 5.4958 6.0166 6.0166 6.1573 6.1573 6.2392 6.2392 6.4545 6.4545 6.5427 6.5427 8.2640 8.2640 12.3533 12.3533 13.1430 13.1430 13.5153 13.5153 14.3670 14.3670 k = 0.1282-0.0852-0.0587 ( 3324 PWs) bands (ev): -14.2880 -14.2880 -11.4358 -11.4358 -11.2101 -11.2101 -11.1305 -11.1305 -10.0168 -10.0168 -9.9969 -9.9969 -6.7639 -6.7639 -1.5887 -1.5887 -0.9741 -0.9741 -0.3095 -0.3095 2.5176 2.5176 2.9599 2.9599 3.0467 3.0467 3.3428 3.3428 3.7713 3.7713 3.8174 3.8174 4.3254 4.3254 5.3551 5.3551 5.4979 5.4979 5.9811 5.9811 6.1440 6.1440 6.2326 6.2326 6.4466 6.4466 6.5464 6.5464 8.3049 8.3049 12.2962 12.2962 13.1517 13.1517 13.5544 13.5544 14.4461 14.4461 k = 0.1410-0.0938-0.0646 ( 3326 PWs) bands (ev): -14.2701 -14.2701 -11.4763 -11.4763 -11.2044 -11.2044 -11.1240 -11.1240 -10.0328 -10.0328 -10.0092 -10.0092 -6.7088 -6.7088 -1.6458 -1.6458 -0.9447 -0.9447 -0.2919 -0.2919 2.5865 2.5865 2.9256 2.9256 3.0647 3.0647 3.3734 3.3734 3.7221 3.7221 3.7811 3.7811 4.3672 4.3672 5.3310 5.3310 5.5005 5.5005 5.9449 5.9449 6.1295 6.1295 6.2263 6.2263 6.4385 6.4385 6.5491 6.5491 8.3472 8.3472 12.2306 12.2306 13.1704 13.1704 13.5982 13.5982 14.5254 14.5254 k = 0.1538-0.1023-0.0705 ( 3328 PWs) bands (ev): -14.2504 -14.2504 -11.5205 -11.5205 -11.1972 -11.1972 -11.1167 -11.1167 -10.0501 -10.0501 -10.0226 -10.0226 -6.6496 -6.6496 -1.7092 -1.7092 -0.9102 -0.9102 -0.2714 -0.2714 2.6579 2.6579 2.8900 2.8900 3.0841 3.0841 3.4063 3.4063 3.6574 3.6574 3.7543 3.7543 4.4111 4.4111 5.3040 5.3040 5.5035 5.5035 5.9080 5.9080 6.1142 6.1142 6.2205 6.2205 6.4305 6.4305 6.5507 6.5507 8.3905 8.3905 12.1579 12.1579 13.1979 13.1979 13.6462 13.6462 14.6050 14.6050 k = 0.1667-0.1108-0.0763 ( 3335 PWs) bands (ev): -14.2291 -14.2291 -11.5680 -11.5680 -11.1887 -11.1887 -11.1086 -11.1086 -10.0685 -10.0685 -10.0370 -10.0370 -6.5867 -6.5867 -1.7780 -1.7780 -0.8712 -0.8712 -0.2479 -0.2479 2.7307 2.7307 2.8538 2.8538 3.1043 3.1043 3.4412 3.4412 3.5863 3.5863 3.7297 3.7297 4.4566 4.4566 5.2743 5.2743 5.5066 5.5066 5.8708 5.8708 6.0981 6.0981 6.2152 6.2152 6.4225 6.4225 6.5511 6.5511 8.4344 8.4344 12.0796 12.0796 13.2330 13.2330 13.6981 13.6981 14.6847 14.6847 k = 0.1795-0.1193-0.0822 ( 3335 PWs) bands (ev): -14.2062 -14.2062 -11.6183 -11.6183 -11.1791 -11.1791 -11.0998 -11.0998 -10.0880 -10.0880 -10.0523 -10.0523 -6.5204 -6.5204 -1.8515 -1.8515 -0.8280 -0.8280 -0.2216 -0.2216 2.7958 2.7958 2.8254 2.8254 3.1248 3.1248 3.4740 3.4740 3.5152 3.5152 3.7062 3.7062 4.5029 4.5029 5.2424 5.2424 5.5098 5.5098 5.8333 5.8333 6.0815 6.0815 6.2105 6.2105 6.4146 6.4146 6.5503 6.5503 8.4787 8.4787 11.9968 11.9968 13.2747 13.2747 13.7536 13.7536 14.7644 14.7644 k = 0.1923-0.1279-0.0881 ( 3337 PWs) bands (ev): -14.1815 -14.1815 -11.6710 -11.6710 -11.1685 -11.1685 -11.0902 -11.0902 -10.1085 -10.1085 -10.0687 -10.0687 -6.4508 -6.4508 -1.9289 -1.9289 -0.7810 -0.7810 -0.1924 -0.1924 2.7724 2.7724 2.8847 2.8847 3.1448 3.1448 3.4270 3.4270 3.5228 3.5228 3.6845 3.6845 4.5497 4.5497 5.2087 5.2087 5.5129 5.5129 5.7955 5.7955 6.0647 6.0647 6.2064 6.2064 6.4069 6.4069 6.5483 6.5483 8.5230 8.5230 11.9103 11.9103 13.3221 13.3221 13.8124 13.8124 14.8441 14.8441 k = 0.2051-0.1364-0.0940 ( 3339 PWs) bands (ev): -14.1553 -14.1553 -11.7258 -11.7258 -11.1570 -11.1570 -11.0798 -11.0798 -10.1300 -10.1300 -10.0859 -10.0859 -6.3782 -6.3782 -2.0098 -2.0098 -0.7305 -0.7305 -0.1605 -0.1605 2.7323 2.7323 2.9590 2.9590 3.1636 3.1636 3.3466 3.3466 3.5632 3.5632 3.6657 3.6657 4.5963 4.5963 5.1735 5.1735 5.5157 5.5157 5.7575 5.7575 6.0478 6.0478 6.2030 6.2030 6.3992 6.3992 6.5450 6.5450 8.5673 8.5673 11.8211 11.8211 13.3745 13.3745 13.8743 13.8743 14.9237 14.9237 k = 0.2179-0.1449-0.0998 ( 3333 PWs) bands (ev): -14.1274 -14.1274 -11.7824 -11.7824 -11.1447 -11.1447 -11.0687 -11.0687 -10.1523 -10.1523 -10.1040 -10.1040 -6.3028 -6.3028 -2.0938 -2.0938 -0.6767 -0.6767 -0.1259 -0.1259 2.6897 2.6897 3.0327 3.0327 3.1792 3.1792 3.2645 3.2645 3.6060 3.6060 3.6515 3.6515 4.6424 4.6424 5.1375 5.1375 5.5183 5.5183 5.7191 5.7191 6.0312 6.0312 6.2003 6.2003 6.3917 6.3917 6.5404 6.5404 8.6113 8.6113 11.7295 11.7295 13.4315 13.4315 13.9388 13.9388 15.0031 15.0031 k = 0.2308-0.1534-0.1057 ( 3333 PWs) bands (ev): -14.0980 -14.0980 -11.8407 -11.8407 -11.1317 -11.1317 -11.0568 -11.0568 -10.1754 -10.1754 -10.1229 -10.1229 -6.2248 -6.2248 -2.1803 -2.1803 -0.6199 -0.6199 -0.0887 -0.0887 2.6448 2.6448 3.1023 3.1023 3.1669 3.1669 3.2084 3.2084 3.6380 3.6380 3.6555 3.6555 4.6875 4.6875 5.1011 5.1011 5.5204 5.5204 5.6805 5.6805 6.0150 6.0150 6.1981 6.1981 6.3844 6.3844 6.5346 6.5346 8.6551 8.6551 11.6362 11.6362 13.4925 13.4925 14.0057 14.0057 15.0824 15.0824 k = 0.2436-0.1620-0.1116 ( 3336 PWs) bands (ev): -14.0670 -14.0670 -11.9003 -11.9003 -11.1180 -11.1180 -11.0441 -11.0441 -10.1992 -10.1992 -10.1426 -10.1426 -6.1445 -6.1445 -2.2690 -2.2690 -0.5603 -0.5603 -0.0489 -0.0489 2.5975 2.5975 3.0784 3.0784 3.1768 3.1768 3.2164 3.2164 3.6377 3.6377 3.7001 3.7001 4.7312 4.7312 5.0651 5.0651 5.5220 5.5220 5.6416 5.6416 5.9997 5.9997 6.1966 6.1966 6.3771 6.3771 6.5276 6.5276 8.6986 8.6986 11.5415 11.5415 13.5573 13.5573 14.0747 14.0747 15.1613 15.1613 k = 0.2564-0.1705-0.1174 ( 3330 PWs) bands (ev): -14.0343 -14.0343 -11.9610 -11.9610 -11.1035 -11.1035 -11.0306 -11.0306 -10.2236 -10.2236 -10.1631 -10.1631 -6.0619 -6.0619 -2.3597 -2.3597 -0.4981 -0.4981 -0.0066 -0.0066 2.5474 2.5474 2.9909 2.9909 3.2123 3.2123 3.2545 3.2545 3.6427 3.6427 3.7481 3.7481 4.7729 4.7729 5.0302 5.0302 5.5230 5.5230 5.6023 5.6023 5.9853 5.9853 6.1957 6.1957 6.3700 6.3700 6.5192 6.5192 8.7418 8.7418 11.4457 11.4457 13.6255 13.6255 14.1455 14.1455 15.2398 15.2398 k = 0.2692-0.1790-0.1233 ( 3332 PWs) bands (ev): -14.0002 -14.0002 -12.0227 -12.0227 -11.0885 -11.0885 -11.0163 -11.0163 -10.2485 -10.2485 -10.1842 -10.1842 -5.9772 -5.9772 -2.4521 -2.4521 -0.4335 -0.4335 0.0380 0.0380 2.4944 2.4944 2.9004 2.9004 3.2198 3.2198 3.3154 3.3154 3.6550 3.6550 3.7975 3.7975 4.8124 4.8124 4.9970 4.9970 5.5232 5.5232 5.5628 5.5628 5.9723 5.9723 6.1954 6.1954 6.3630 6.3630 6.5097 6.5097 8.7849 8.7849 11.3491 11.3491 13.6969 13.6969 14.2178 14.2178 15.3178 15.3178 k = 0.2821-0.1875-0.1292 ( 3336 PWs) bands (ev): -13.9645 -13.9645 -12.0853 -12.0853 -11.0729 -11.0729 -11.0013 -11.0013 -10.2739 -10.2739 -10.2060 -10.2060 -5.8907 -5.8907 -2.5460 -2.5460 -0.3666 -0.3666 0.0850 0.0850 2.4384 2.4384 2.8086 2.8086 3.2227 3.2227 3.3744 3.3744 3.6743 3.6743 3.8478 3.8478 4.8490 4.8490 4.9664 4.9664 5.5190 5.5190 5.5266 5.5266 5.9609 5.9609 6.1955 6.1955 6.3561 6.3561 6.4989 6.4989 8.8280 8.8280 11.2521 11.2521 13.7711 13.7711 14.2914 14.2914 15.3951 15.3951 k = 0.2949-0.1961-0.1351 ( 3339 PWs) bands (ev): -13.9273 -13.9273 -12.1484 -12.1484 -11.0567 -11.0567 -10.9854 -10.9854 -10.2996 -10.2996 -10.2284 -10.2284 -5.8025 -5.8025 -2.6412 -2.6412 -0.2976 -0.2976 0.1343 0.1343 2.3794 2.3794 2.7160 2.7160 3.2236 3.2236 3.4286 3.4286 3.6998 3.6998 3.8988 3.8988 4.8823 4.8823 4.9392 4.9392 5.4818 5.4818 5.5225 5.5225 5.9514 5.9514 6.1961 6.1961 6.3493 6.3493 6.4870 6.4870 8.8711 8.8711 11.1548 11.1548 13.8480 13.8480 14.3661 14.3661 15.4714 15.4714 k = 0.3077-0.2046-0.1409 ( 3334 PWs) bands (ev): -13.8886 -13.8886 -12.2120 -12.2120 -11.0400 -11.0400 -10.9688 -10.9688 -10.3257 -10.3257 -10.2513 -10.2513 -5.7126 -5.7126 -2.7375 -2.7375 -0.2267 -0.2267 0.1857 0.1857 2.3172 2.3172 2.6232 2.6232 3.2240 3.2240 3.4768 3.4768 3.7305 3.7305 3.9500 3.9500 4.9111 4.9111 4.9167 4.9167 5.4417 5.4417 5.5203 5.5203 5.9441 5.9441 6.1972 6.1972 6.3427 6.3427 6.4740 6.4740 8.9146 8.9146 11.0575 11.0575 13.9273 13.9273 14.4417 14.4417 15.5465 15.5465 k = 0.3205-0.2131-0.1468 ( 3330 PWs) bands (ev): -13.8484 -13.8484 -12.2760 -12.2760 -11.0228 -11.0228 -10.9514 -10.9514 -10.3520 -10.3520 -10.2747 -10.2747 -5.6213 -5.6213 -2.8348 -2.8348 -0.1540 -0.1540 0.2391 0.2391 2.2522 2.2522 2.5302 2.5302 3.2248 3.2248 3.5183 3.5183 3.7655 3.7655 4.0010 4.0010 4.8972 4.8972 4.9374 4.9374 5.4016 5.4016 5.5173 5.5173 5.9393 5.9393 6.1986 6.1986 6.3362 6.3362 6.4598 6.4598 8.9585 8.9585 10.9604 10.9604 14.0086 14.0086 14.5179 14.5179 15.6199 15.6199 k = 0.3333-0.2216-0.1527 ( 3326 PWs) bands (ev): -13.8068 -13.8068 -12.3402 -12.3402 -11.0051 -11.0051 -10.9333 -10.9333 -10.3784 -10.3784 -10.2986 -10.2986 -5.5287 -5.5287 -2.9329 -2.9329 -0.0796 -0.0796 0.2945 0.2945 2.1843 2.1843 2.4374 2.4374 3.2268 3.2268 3.5524 3.5524 3.8039 3.8039 4.0515 4.0515 4.8839 4.8839 4.9583 4.9583 5.3621 5.3621 5.5132 5.5132 5.9373 5.9373 6.2003 6.2003 6.3298 6.3298 6.4446 6.4446 9.0031 9.0031 10.8637 10.8637 14.0919 14.0919 14.5946 14.5946 15.6911 15.6911 k = 0.3462-0.2302-0.1585 ( 3329 PWs) bands (ev): -13.7638 -13.7638 -12.4045 -12.4045 -10.9869 -10.9869 -10.9145 -10.9145 -10.4049 -10.4049 -10.3228 -10.3228 -5.4348 -5.4348 -3.0318 -3.0318 -0.0039 -0.0039 0.3517 0.3517 2.1140 2.1140 2.3451 2.3451 3.2305 3.2305 3.5786 3.5786 3.8451 3.8451 4.1009 4.1009 4.8758 4.8758 4.9743 4.9743 5.3237 5.3237 5.5078 5.5078 5.9382 5.9382 6.2023 6.2023 6.3236 6.3236 6.4284 6.4284 9.0486 9.0486 10.7678 10.7678 14.1768 14.1768 14.6715 14.6715 15.7592 15.7592 k = 0.3590-0.2387-0.1644 ( 3333 PWs) bands (ev): -13.7194 -13.7194 -12.4687 -12.4687 -10.9682 -10.9682 -10.8951 -10.8951 -10.4314 -10.4314 -10.3474 -10.3474 -5.3398 -5.3398 -3.1314 -3.1314 0.0732 0.0732 0.4104 0.4104 2.0414 2.0414 2.2536 2.2536 3.2364 3.2364 3.5969 3.5969 3.8884 3.8884 4.1489 4.1489 4.8726 4.8726 4.9853 4.9853 5.2871 5.2871 5.5011 5.5011 5.9423 5.9423 6.2045 6.2045 6.3176 6.3176 6.4112 6.4112 9.0952 9.0952 10.6726 10.6726 14.2631 14.2631 14.7484 14.7484 15.8230 15.8230 k = 0.3718-0.2472-0.1703 ( 3338 PWs) bands (ev): -13.6736 -13.6736 -12.5329 -12.5329 -10.9491 -10.9491 -10.8751 -10.8751 -10.4578 -10.4578 -10.3722 -10.3722 -5.2438 -5.2438 -3.2315 -3.2315 0.1513 0.1513 0.4704 0.4704 1.9669 1.9669 2.1631 2.1631 3.2444 3.2444 3.6072 3.6072 3.9334 3.9334 4.1949 4.1949 4.8733 4.8733 4.9914 4.9914 5.2534 5.2534 5.4927 5.4927 5.9496 5.9496 6.2067 6.2067 6.3117 6.3117 6.3932 6.3932 9.1432 9.1432 10.5786 10.5786 14.3505 14.3505 14.8252 14.8252 15.8805 15.8805 k = 0.3846-0.2557-0.1762 ( 3340 PWs) bands (ev): -13.6265 -13.6265 -12.5968 -12.5968 -10.9295 -10.9295 -10.8546 -10.8546 -10.4840 -10.4840 -10.3973 -10.3973 -5.1469 -5.1469 -3.3321 -3.3321 0.2304 0.2304 0.5316 0.5316 1.8911 1.8911 2.0739 2.0739 3.2549 3.2549 3.6101 3.6101 3.9795 3.9795 4.2386 4.2386 4.8762 4.8762 4.9926 4.9926 5.2242 5.2242 5.4825 5.4825 5.9600 5.9600 6.2089 6.2089 6.3061 6.3061 6.3746 6.3746 9.1928 9.1928 10.4858 10.4858 14.4386 14.4386 14.9014 14.9014 15.9286 15.9286 k = 0.3974-0.2643-0.1820 ( 3338 PWs) bands (ev): -13.5781 -13.5781 -12.6603 -12.6603 -10.9095 -10.9095 -10.8337 -10.8337 -10.5099 -10.5099 -10.4225 -10.4225 -5.0491 -5.0491 -3.4330 -3.4330 0.3100 0.3100 0.5933 0.5933 1.8146 1.8146 1.9864 1.9864 3.2677 3.2677 3.6063 3.6063 4.0265 4.0265 4.2792 4.2792 4.8793 4.8793 4.9893 4.9893 5.2015 5.2015 5.4703 5.4703 5.9733 5.9733 6.2110 6.2110 6.3006 6.3006 6.3554 6.3554 9.2442 9.2442 10.3945 10.3945 14.5273 14.5273 14.9764 14.9764 15.9597 15.9598 k = 0.4103-0.2728-0.1879 ( 3340 PWs) bands (ev): -13.5284 -13.5284 -12.7235 -12.7235 -10.8891 -10.8891 -10.8126 -10.8126 -10.5353 -10.5353 -10.4477 -10.4477 -4.9506 -4.9506 -3.5343 -3.5343 0.3899 0.3899 0.6549 0.6549 1.7381 1.7381 1.9007 1.9007 3.2828 3.2828 3.5965 3.5965 4.0739 4.0739 4.3160 4.3160 4.8802 4.8802 4.9819 4.9819 5.1874 5.1874 5.4560 5.4560 5.9893 5.9893 6.2126 6.2126 6.2953 6.2953 6.3360 6.3360 9.2975 9.2975 10.3049 10.3049 14.6161 14.6161 15.0496 15.0496 15.9461 15.9461 k = 0.4231-0.2813-0.1938 ( 3345 PWs) bands (ev): -13.4775 -13.4775 -12.7862 -12.7862 -10.8683 -10.8683 -10.7915 -10.7915 -10.5599 -10.5599 -10.4729 -10.4729 -4.8515 -4.8515 -3.6358 -3.6358 0.4697 0.4697 0.7155 0.7155 1.6629 1.6629 1.8173 1.8173 3.3001 3.3001 3.5818 3.5818 4.1211 4.1211 4.3479 4.3479 4.8775 4.8775 4.9709 4.9709 5.1833 5.1833 5.4395 5.4395 6.0076 6.0076 6.2132 6.2132 6.2902 6.2902 6.3170 6.3170 9.3530 9.3530 10.2172 10.2172 14.7047 14.7047 15.1193 15.1193 15.8857 15.8857 k = 0.4359-0.2898-0.1997 ( 3343 PWs) bands (ev): -13.4254 -13.4254 -12.8484 -12.8484 -10.8472 -10.8472 -10.7709 -10.7709 -10.5833 -10.5833 -10.4980 -10.4980 -4.7518 -4.7518 -3.7376 -3.7376 0.5488 0.5488 0.7736 0.7736 1.5907 1.5907 1.7368 1.7368 3.3195 3.3195 3.5631 3.5631 4.1677 4.1677 4.3735 4.3735 4.8715 4.8715 4.9569 4.9569 5.1891 5.1891 5.4209 5.4209 6.0278 6.0278 6.2120 6.2120 6.2852 6.2852 6.2993 6.2993 9.4109 9.4109 10.1315 10.1315 14.7927 14.7927 15.1830 15.1830 15.8203 15.8203 k = 0.4487-0.2984-0.2055 ( 3341 PWs) bands (ev): -13.3722 -13.3722 -12.9099 -12.9099 -10.8259 -10.8259 -10.7517 -10.7517 -10.6045 -10.6045 -10.5229 -10.5229 -4.6515 -4.6515 -3.8394 -3.8394 0.6263 0.6263 0.8264 0.8264 1.5243 1.5243 1.6599 1.6599 3.3408 3.3408 3.5414 3.5414 4.2131 4.2131 4.3913 4.3913 4.8645 4.8645 4.9408 4.9408 5.2033 5.2033 5.4001 5.4001 6.0494 6.0494 6.2073 6.2073 6.2800 6.2800 6.2851 6.2851 9.4712 9.4712 10.0480 10.0480 14.8795 14.8795 15.2358 15.2358 15.7629 15.7629 k = 0.4615-0.3069-0.2114 ( 3341 PWs) bands (ev): -13.3178 -13.3178 -12.9707 -12.9707 -10.8046 -10.8046 -10.7360 -10.7360 -10.6216 -10.6216 -10.5473 -10.5473 -4.5509 -4.5509 -3.9413 -3.9413 0.7008 0.7008 0.8696 0.8696 1.4685 1.4685 1.5879 1.5879 3.3637 3.3637 3.5174 3.5174 4.2564 4.2564 4.3996 4.3996 4.8595 4.8595 4.9233 4.9233 5.2235 5.2235 5.3774 5.3774 6.0721 6.0721 6.1976 6.1976 6.2728 6.2728 6.2778 6.2778 9.5340 9.5340 9.9669 9.9669 14.9644 14.9644 15.2691 15.2691 15.7233 15.7233 k = 0.4744-0.3154-0.2173 ( 3343 PWs) bands (ev): -13.2624 -13.2624 -13.0308 -13.0308 -10.7835 -10.7835 -10.7280 -10.7280 -10.6302 -10.6302 -10.5709 -10.5709 -4.4498 -4.4498 -4.0433 -4.0433 0.7702 0.7702 0.8964 0.8964 1.4300 1.4300 1.5229 1.5229 3.3880 3.3880 3.4921 3.4921 4.2966 4.2966 4.3975 4.3975 4.8589 4.8589 4.9055 4.9055 5.2476 5.2476 5.3530 5.3530 6.0953 6.0953 6.1825 6.1825 6.2680 6.2680 6.2736 6.2736 9.5995 9.5995 9.8882 9.8882 15.0461 15.0461 15.2729 15.2729 15.7115 15.7115 k = 0.4872-0.3239-0.2231 ( 3341 PWs) bands (ev): -13.2059 -13.2059 -13.0901 -13.0901 -10.7632 -10.7632 -10.7317 -10.7317 -10.6266 -10.6266 -10.5931 -10.5931 -4.3485 -4.3485 -4.1451 -4.1451 0.8306 0.8306 0.8995 0.8995 1.4164 1.4164 1.4685 1.4685 3.4134 3.4134 3.4659 3.4659 4.3326 4.3326 4.3847 4.3847 4.8640 4.8640 4.8887 4.8887 5.2737 5.2737 5.3272 5.3272 6.1187 6.1187 6.1632 6.1632 6.2667 6.2667 6.2702 6.2702 9.6677 9.6677 9.8120 9.8120 15.1229 15.1229 15.2443 15.2443 15.7302 15.7302 k = 0.5000-0.3325-0.2290 ( 3342 PWs) bands (ev): -13.1484 -13.1484 -13.1484 -13.1484 -10.7450 -10.7450 -10.7450 -10.7450 -10.6126 -10.6126 -10.6126 -10.6126 -4.2469 -4.2469 -4.2469 -4.2469 0.8761 0.8761 0.8761 0.8761 1.4306 1.4306 1.4306 1.4306 3.4395 3.4395 3.4395 3.4395 4.3625 4.3625 4.3625 4.3625 4.8743 4.8743 4.8743 4.8743 5.3005 5.3005 5.3005 5.3005 6.1416 6.1416 6.1416 6.1416 6.2678 6.2678 6.2678 6.2678 9.7385 9.7385 9.7385 9.7385 15.1911 15.1911 15.1911 15.1911 15.7708 15.7708 k = 0.5000-0.3325-0.2290 ( 3342 PWs) bands (ev): -13.1484 -13.1484 -13.1484 -13.1484 -10.7450 -10.7450 -10.7450 -10.7450 -10.6126 -10.6126 -10.6126 -10.6126 -4.2469 -4.2469 -4.2469 -4.2469 0.8761 0.8761 0.8761 0.8761 1.4306 1.4306 1.4306 1.4306 3.4395 3.4395 3.4395 3.4395 4.3625 4.3625 4.3625 4.3625 4.8743 4.8743 4.8743 4.8743 5.3005 5.3005 5.3005 5.3005 6.1416 6.1416 6.1416 6.1416 6.2678 6.2678 6.2678 6.2678 9.7385 9.7385 9.7385 9.7385 15.1911 15.1911 15.1911 15.1911 15.7708 15.7708 k = 0.5000-0.3233-0.2424 ( 3338 PWs) bands (ev): -13.1479 -13.1479 -13.1478 -13.1478 -10.7513 -10.7513 -10.7464 -10.7464 -10.6117 -10.6117 -10.6080 -10.6080 -4.2454 -4.2454 -4.2448 -4.2448 0.8600 0.8600 0.8850 0.8850 1.4227 1.4227 1.4425 1.4425 3.4370 3.4370 3.4384 3.4384 4.3640 4.3640 4.3642 4.3642 4.8731 4.8731 4.8739 4.8739 5.3026 5.3026 5.3029 5.3029 6.1405 6.1405 6.1414 6.1414 6.2677 6.2677 6.2681 6.2681 9.7385 9.7385 9.7399 9.7399 15.1402 15.1402 15.2369 15.2369 15.7312 15.7312 k = 0.5000-0.3141-0.2557 ( 3342 PWs) bands (ev): -13.1464 -13.1464 -13.1461 -13.1461 -10.7641 -10.7641 -10.7553 -10.7553 -10.6056 -10.6056 -10.5991 -10.5991 -4.2402 -4.2402 -4.2392 -4.2392 0.8375 0.8375 0.8860 0.8860 1.4192 1.4192 1.4576 1.4576 3.4308 3.4308 3.4338 3.4338 4.3684 4.3684 4.3690 4.3690 4.8704 4.8704 4.8720 4.8720 5.3092 5.3092 5.3097 5.3097 6.1381 6.1381 6.1399 6.1399 6.2677 6.2677 6.2685 6.2685 9.7398 9.7398 9.7427 9.7427 15.0854 15.0854 15.2760 15.2760 15.6922 15.6922 k = 0.5000-0.3049-0.2690 ( 3348 PWs) bands (ev): -13.1437 -13.1437 -13.1433 -13.1433 -10.7816 -10.7816 -10.7701 -10.7701 -10.5958 -10.5958 -10.5878 -10.5878 -4.2315 -4.2315 -4.2299 -4.2299 0.8093 0.8093 0.8791 0.8791 1.4203 1.4203 1.4750 1.4750 3.4214 3.4214 3.4257 3.4257 4.3756 4.3756 4.3766 4.3766 4.8664 4.8664 4.8689 4.8689 5.3198 5.3198 5.3206 5.3206 6.1345 6.1345 6.1372 6.1372 6.2678 6.2678 6.2691 6.2691 9.7425 9.7425 9.7469 9.7469 15.0276 15.0276 15.3053 15.3053 15.6571 15.6571 k = 0.5000-0.2957-0.2824 ( 3344 PWs) bands (ev): -13.1399 -13.1399 -13.1394 -13.1394 -10.8024 -10.8024 -10.7890 -10.7890 -10.5840 -10.5840 -10.5753 -10.5753 -4.2193 -4.2193 -4.2172 -4.2172 0.7763 0.7763 0.8646 0.8646 1.4260 1.4260 1.4941 1.4941 3.4090 3.4090 3.4145 3.4145 4.3851 4.3851 4.3867 4.3867 4.8616 4.8616 4.8652 4.8652 5.3342 5.3342 5.3350 5.3350 6.1298 6.1298 6.1333 6.1333 6.2680 6.2680 6.2697 6.2697 9.7467 9.7467 9.7525 9.7525 14.9674 14.9674 15.3206 15.3206 15.6305 15.6305 k = 0.5000-0.2865-0.2957 ( 3344 PWs) bands (ev): -13.1350 -13.1350 -13.1345 -13.1345 -10.8257 -10.8257 -10.8110 -10.8110 -10.5712 -10.5712 -10.5624 -10.5624 -4.2037 -4.2037 -4.2011 -4.2011 0.7391 0.7391 0.8429 0.8429 1.4356 1.4356 1.5142 1.5142 3.3940 3.3940 3.4005 3.4005 4.3964 4.3964 4.3987 4.3987 4.8566 4.8566 4.8612 4.8612 5.3516 5.3516 5.3525 5.3525 6.1241 6.1241 6.1284 6.1284 6.2680 6.2680 6.2702 6.2702 9.7524 9.7524 9.7595 9.7595 14.9053 14.9053 15.3172 15.3172 15.6174 15.6174 k = 0.5000-0.2773-0.3091 ( 3330 PWs) bands (ev): -13.1291 -13.1291 -13.1284 -13.1284 -10.8509 -10.8509 -10.8352 -10.8352 -10.5582 -10.5582 -10.5496 -10.5496 -4.1847 -4.1847 -4.1817 -4.1817 0.6984 0.6984 0.8150 0.8150 1.4485 1.4485 1.5349 1.5349 3.3768 3.3768 3.3842 3.3842 4.4089 4.4089 4.4120 4.4120 4.8519 4.8519 4.8577 4.8577 5.3714 5.3714 5.3722 5.3722 6.1175 6.1175 6.1225 6.1225 6.2680 6.2680 6.2707 6.2707 9.7595 9.7595 9.7680 9.7680 14.8417 14.8417 15.2943 15.2943 15.6189 15.6189 k = 0.5000-0.2681-0.3224 ( 3330 PWs) bands (ev): -13.1222 -13.1222 -13.1214 -13.1214 -10.8778 -10.8778 -10.8613 -10.8613 -10.5453 -10.5453 -10.5370 -10.5370 -4.1626 -4.1626 -4.1592 -4.1592 0.6546 0.6546 0.7818 0.7818 1.4639 1.4639 1.5559 1.5559 3.3579 3.3579 3.3661 3.3661 4.4219 4.4219 4.4260 4.4260 4.8481 4.8481 4.8552 4.8552 5.3932 5.3932 5.3938 5.3938 6.1101 6.1101 6.1159 6.1159 6.2677 6.2677 6.2710 6.2710 9.7682 9.7682 9.7780 9.7780 14.7771 14.7771 15.2561 15.2561 15.6316 15.6316 k = 0.5000-0.2589-0.3358 ( 3332 PWs) bands (ev): -13.1143 -13.1143 -13.1134 -13.1134 -10.9060 -10.9060 -10.8889 -10.8889 -10.5327 -10.5327 -10.5249 -10.5249 -4.1374 -4.1374 -4.1336 -4.1336 0.6082 0.6082 0.7440 0.7440 1.4811 1.4811 1.5768 1.5768 3.3378 3.3378 3.3465 3.3465 4.4347 4.4347 4.4399 4.4399 4.8459 4.8459 4.8543 4.8543 5.4162 5.4162 5.4165 5.4165 6.1022 6.1022 6.1086 6.1086 6.2671 6.2671 6.2710 6.2710 9.7786 9.7786 9.7895 9.7895 14.7118 14.7118 15.2079 15.2079 15.6505 15.6505 k = 0.5000-0.2497-0.3491 ( 3336 PWs) bands (ev): -13.1054 -13.1054 -13.1045 -13.1045 -10.9354 -10.9354 -10.9178 -10.9178 -10.5205 -10.5205 -10.5133 -10.5133 -4.1093 -4.1093 -4.1052 -4.1052 0.5595 0.5595 0.7025 0.7025 1.4996 1.4996 1.5975 1.5975 3.3168 3.3168 3.3260 3.3260 4.4467 4.4467 4.4530 4.4530 4.8457 4.8457 4.8554 4.8554 5.4398 5.4398 5.4399 5.4399 6.0937 6.0937 6.1008 6.1008 6.2662 6.2662 6.2708 6.2708 9.7906 9.7906 9.8026 9.8026 14.6462 14.6462 15.1538 15.1538 15.6722 15.6722 k = 0.5000-0.2405-0.3624 ( 3342 PWs) bands (ev): -13.0957 -13.0957 -13.0946 -13.0946 -10.9658 -10.9658 -10.9477 -10.9477 -10.5088 -10.5088 -10.5022 -10.5022 -4.0785 -4.0785 -4.0742 -4.0742 0.5089 0.5089 0.6579 0.6579 1.5189 1.5189 1.6179 1.6179 3.2954 3.2954 3.3048 3.3048 4.4574 4.4574 4.4647 4.4647 4.8480 4.8480 4.8589 4.8589 5.4631 5.4631 5.4637 5.4637 6.0849 6.0849 6.0926 6.0926 6.2649 6.2649 6.2701 6.2701 9.8043 9.8043 9.8174 9.8174 14.5806 14.5806 15.0963 15.0963 15.6947 15.6947 k = 0.5000-0.2313-0.3758 ( 3340 PWs) bands (ev): -13.0851 -13.0851 -13.0840 -13.0840 -10.9970 -10.9970 -10.9786 -10.9786 -10.4976 -10.4976 -10.4916 -10.4916 -4.0452 -4.0452 -4.0407 -4.0407 0.4566 0.4566 0.6107 0.6107 1.5386 1.5386 1.6378 1.6378 3.2738 3.2738 3.2834 3.2834 4.4662 4.4662 4.4743 4.4743 4.8533 4.8533 4.8652 4.8652 5.4860 5.4860 5.4871 5.4871 6.0759 6.0759 6.0841 6.0841 6.2633 6.2633 6.2691 6.2691 9.8198 9.8198 9.8338 9.8338 14.5153 14.5153 15.0370 15.0370 15.7170 15.7170 k = 0.5000-0.2222-0.3891 ( 3342 PWs) bands (ev): -13.0737 -13.0737 -13.0725 -13.0725 -11.0290 -11.0290 -11.0102 -11.0102 -10.4868 -10.4868 -10.4815 -10.4815 -4.0097 -4.0097 -4.0051 -4.0051 0.4031 0.4031 0.5614 0.5614 1.5586 1.5586 1.6572 1.6572 3.2525 3.2525 3.2620 3.2620 4.4728 4.4728 4.4816 4.4816 4.8618 4.8618 4.8744 4.8744 5.5079 5.5079 5.5096 5.5096 6.0669 6.0669 6.0755 6.0755 6.2612 6.2612 6.2677 6.2677 9.8371 9.8371 9.8520 9.8520 14.4507 14.4507 14.9769 14.9769 15.7385 15.7385 k = 0.5000-0.2130-0.4025 ( 3348 PWs) bands (ev): -13.0615 -13.0615 -13.0603 -13.0603 -11.0616 -11.0616 -11.0425 -11.0425 -10.4765 -10.4765 -10.4719 -10.4719 -3.9722 -3.9722 -3.9675 -3.9675 0.3485 0.3485 0.5105 0.5105 1.5786 1.5786 1.6760 1.6760 3.2317 3.2317 3.2410 3.2410 4.4771 4.4771 4.4861 4.4861 4.8734 4.8734 4.8864 4.8864 5.5284 5.5284 5.5307 5.5307 6.0578 6.0578 6.0669 6.0669 6.2587 6.2587 6.2659 6.2659 9.8563 9.8563 9.8719 9.8719 14.3870 14.3870 14.9167 14.9167 15.7591 15.7591 k = 0.5000-0.2038-0.4158 ( 3338 PWs) bands (ev): -13.0488 -13.0488 -13.0475 -13.0475 -11.0945 -11.0945 -11.0751 -11.0751 -10.4667 -10.4667 -10.4628 -10.4628 -3.9329 -3.9329 -3.9282 -3.9282 0.2931 0.2931 0.4583 0.4583 1.5985 1.5985 1.6942 1.6942 3.2116 3.2116 3.2207 3.2207 4.4791 4.4791 4.4881 4.4881 4.8880 4.8880 4.9012 4.9012 5.5471 5.5471 5.5500 5.5500 6.0490 6.0490 6.0584 6.0584 6.2559 6.2559 6.2637 6.2637 9.8774 9.8774 9.8935 9.8935 14.3245 14.3245 14.8571 14.8571 15.7786 15.7786 k = 0.5000-0.1946-0.4291 ( 3340 PWs) bands (ev): -13.0354 -13.0354 -13.0341 -13.0341 -11.1276 -11.1276 -11.1080 -11.1080 -10.4573 -10.4573 -10.4541 -10.4541 -3.8921 -3.8921 -3.8875 -3.8875 0.2373 0.2373 0.4053 0.4053 1.6180 1.6180 1.7117 1.7117 3.1925 3.1925 3.2011 3.2011 4.4789 4.4789 4.4876 4.4876 4.9053 4.9053 4.9183 4.9183 5.5635 5.5635 5.5668 5.5668 6.0405 6.0405 6.0502 6.0502 6.2526 6.2526 6.2610 6.2610 9.9003 9.9003 9.9168 9.9168 14.2635 14.2635 14.7985 14.7985 15.7969 15.7969 k = 0.5000-0.1854-0.4425 ( 3348 PWs) bands (ev): -13.0216 -13.0216 -13.0203 -13.0203 -11.1608 -11.1608 -11.1410 -11.1410 -10.4484 -10.4484 -10.4458 -10.4458 -3.8502 -3.8502 -3.8457 -3.8457 0.1814 0.1814 0.3517 0.3517 1.6372 1.6372 1.7284 1.7284 3.1745 3.1745 3.1827 3.1827 4.4767 4.4767 4.4848 4.4848 4.9248 4.9248 4.9375 4.9375 5.5772 5.5772 5.5810 5.5810 6.0325 6.0325 6.0423 6.0423 6.2491 6.2491 6.2580 6.2580 9.9251 9.9251 9.9418 9.9418 14.2044 14.2044 14.7413 14.7413 15.8142 15.8142 k = 0.5000-0.1762-0.4558 ( 3344 PWs) bands (ev): -13.0074 -13.0074 -13.0061 -13.0061 -11.1938 -11.1938 -11.1738 -11.1738 -10.4398 -10.4398 -10.4379 -10.4379 -3.8073 -3.8073 -3.8030 -3.8030 0.1256 0.1256 0.2981 0.2981 1.6559 1.6559 1.7444 1.7444 3.1578 3.1578 3.1654 3.1654 4.4729 4.4729 4.4801 4.4801 4.9462 4.9462 4.9583 4.9583 5.5881 5.5881 5.5921 5.5921 6.0251 6.0251 6.0349 6.0349 6.2451 6.2451 6.2546 6.2546 9.9517 9.9517 9.9685 9.9685 14.1472 14.1472 14.6859 14.6859 15.8305 15.8305 k = 0.5000-0.1670-0.4692 ( 3346 PWs) bands (ev): -12.9930 -12.9930 -12.9917 -12.9917 -11.2265 -11.2265 -11.2063 -11.2063 -10.4316 -10.4316 -10.4304 -10.4304 -3.7639 -3.7639 -3.7599 -3.7599 0.0702 0.0702 0.2446 0.2446 1.6740 1.6740 1.7596 1.7596 3.1427 3.1427 3.1495 3.1495 4.4677 4.4677 4.4739 4.4739 4.9690 4.9690 4.9804 4.9804 5.5957 5.5957 5.5998 5.5998 6.0183 6.0183 6.0280 6.0280 6.2409 6.2409 6.2508 6.2508 9.9800 9.9800 9.9967 9.9967 14.0923 14.0923 14.6325 14.6325 15.8458 15.8458 k = 0.5000-0.1578-0.4825 ( 3346 PWs) bands (ev): -12.9785 -12.9785 -12.9772 -12.9772 -11.2587 -11.2587 -11.2383 -11.2383 -10.4238 -10.4238 -10.4233 -10.4233 -3.7203 -3.7203 -3.7166 -3.7166 0.0157 0.0157 0.1917 0.1917 1.6915 1.6915 1.7739 1.7739 3.1291 3.1291 3.1351 3.1351 4.4613 4.4613 4.4663 4.4663 4.9927 4.9927 5.0034 5.0034 5.6000 5.6000 5.6040 5.6040 6.0122 6.0122 6.0217 6.0217 6.2364 6.2364 6.2466 6.2466 10.0099 10.0099 10.0263 10.0263 14.0400 14.0400 14.5814 14.5814 15.8602 15.8602 k = 0.5000-0.1486-0.4959 ( 3352 PWs) bands (ev): -12.9640 -12.9640 -12.9627 -12.9627 -11.2900 -11.2900 -11.2695 -11.2695 -10.4165 -10.4165 -10.4164 -10.4164 -3.6768 -3.6768 -3.6734 -3.6734 -0.0377 -0.0377 0.1397 0.1397 1.7082 1.7082 1.7873 1.7873 3.1172 3.1172 3.1223 3.1223 4.4539 4.4539 4.4577 4.4577 5.0171 5.0171 5.0271 5.0271 5.6010 5.6010 5.6047 5.6047 6.0068 6.0068 6.0159 6.0159 6.2317 6.2317 6.2421 6.2421 10.0412 10.0412 10.0573 10.0573 13.9905 13.9905 14.5330 14.5330 15.8736 15.8736 k = 0.5000-0.1394-0.5092 ( 3352 PWs) bands (ev): -12.9497 -12.9497 -12.9484 -12.9484 -11.3204 -11.3204 -11.2997 -11.2997 -10.4101 -10.4101 -10.4093 -10.4093 -3.6338 -3.6338 -3.6309 -3.6309 -0.0896 -0.0896 0.0889 0.0889 1.7242 1.7242 1.7997 1.7997 3.1070 3.1070 3.1113 3.1113 4.4458 4.4458 4.4482 4.4482 5.0418 5.0418 5.0510 5.0510 5.5986 5.5986 5.6017 5.6017 6.0018 6.0018 6.0106 6.0106 6.2267 6.2267 6.2371 6.2371 10.0739 10.0739 10.0893 10.0893 13.9440 13.9440 14.4874 14.4874 15.8863 15.8863 k = 0.5000-0.1302-0.5225 ( 3348 PWs) bands (ev): -12.9358 -12.9358 -12.9345 -12.9345 -11.3495 -11.3495 -11.3287 -11.3287 -10.4039 -10.4039 -10.4026 -10.4026 -3.5917 -3.5917 -3.5892 -3.5892 -0.1397 -0.1397 0.0398 0.0398 1.7393 1.7393 1.8111 1.8111 3.0988 3.0988 3.1020 3.1020 4.4371 4.4371 4.4380 4.4380 5.0666 5.0666 5.0750 5.0750 5.5929 5.5929 5.5954 5.5954 5.9972 5.9972 6.0057 6.0057 6.2214 6.2214 6.2319 6.2319 10.1076 10.1076 10.1223 10.1223 13.9009 13.9009 14.4450 14.4450 15.8981 15.8981 k = 0.5000-0.1211-0.5359 ( 3356 PWs) bands (ev): -12.9224 -12.9224 -12.9212 -12.9212 -11.3771 -11.3771 -11.3563 -11.3563 -10.3981 -10.3981 -10.3962 -10.3962 -3.5509 -3.5509 -3.5488 -3.5488 -0.1876 -0.1876 -0.0073 -0.0073 1.7534 1.7534 1.8215 1.8215 3.0925 3.0925 3.0946 3.0946 4.4273 4.4273 4.4280 4.4280 5.0911 5.0911 5.0988 5.0988 5.5841 5.5841 5.5859 5.5859 5.9929 5.9929 6.0010 6.0010 6.2159 6.2159 6.2262 6.2262 10.1421 10.1421 10.1559 10.1559 13.8612 13.8612 14.4058 14.4058 15.9091 15.9091 k = 0.5000-0.1119-0.5492 ( 3344 PWs) bands (ev): -12.9097 -12.9097 -12.9086 -12.9086 -11.4029 -11.4029 -11.3821 -11.3821 -10.3926 -10.3926 -10.3901 -10.3901 -3.5117 -3.5117 -3.5100 -3.5100 -0.2329 -0.2329 -0.0520 -0.0520 1.7665 1.7665 1.8306 1.8306 3.0881 3.0881 3.0892 3.0892 4.4163 4.4163 4.4186 4.4186 5.1152 5.1152 5.1222 5.1222 5.5726 5.5726 5.5736 5.5736 5.9885 5.9885 5.9964 5.9964 6.2102 6.2102 6.2201 6.2201 10.1772 10.1772 10.1900 10.1900 13.8254 13.8254 14.3703 14.3703 15.9192 15.9193 k = 0.5000-0.1027-0.5626 ( 3346 PWs) bands (ev): -12.8980 -12.8980 -12.8969 -12.8969 -11.4268 -11.4268 -11.4059 -11.4059 -10.3874 -10.3874 -10.3844 -10.3844 -3.4746 -3.4746 -3.4733 -3.4733 -0.2751 -0.2751 -0.0940 -0.0940 1.7786 1.7786 1.8386 1.8386 3.0857 3.0857 3.0857 3.0857 4.4050 4.4050 4.4089 4.4089 5.1386 5.1386 5.1450 5.1450 5.5586 5.5586 5.5587 5.5587 5.9841 5.9841 5.9918 5.9918 6.2042 6.2042 6.2137 6.2137 10.2125 10.2125 10.2243 10.2243 13.7936 13.7936 14.3385 14.3385 15.9286 15.9286 k = 0.5000-0.0935-0.5759 ( 3348 PWs) bands (ev): -12.8874 -12.8874 -12.8863 -12.8863 -11.4483 -11.4483 -11.4274 -11.4274 -10.3826 -10.3826 -10.3790 -10.3790 -3.4400 -3.4400 -3.4390 -3.4390 -0.3141 -0.3141 -0.1330 -0.1330 1.7894 1.7894 1.8453 1.8453 3.0842 3.0842 3.0854 3.0854 4.3934 4.3934 4.3992 4.3992 5.1610 5.1610 5.1668 5.1668 5.5417 5.5417 5.5425 5.5425 5.9794 5.9794 5.9871 5.9871 6.1980 6.1980 6.2069 6.2069 10.2478 10.2478 10.2584 10.2584 13.7660 13.7660 14.3107 14.3107 15.9371 15.9371 k = 0.5000-0.0843-0.5893 ( 3342 PWs) bands (ev): -12.8781 -12.8781 -12.8771 -12.8771 -11.4674 -11.4674 -11.4465 -11.4465 -10.3780 -10.3780 -10.3739 -10.3739 -3.4082 -3.4082 -3.4075 -3.4075 -0.3492 -0.3492 -0.1684 -0.1684 1.7991 1.7991 1.8508 1.8508 3.0848 3.0848 3.0870 3.0870 4.3818 4.3818 4.3894 4.3894 5.1822 5.1822 5.1875 5.1875 5.5230 5.5230 5.5246 5.5246 5.9744 5.9744 5.9823 5.9823 6.1916 6.1916 6.1997 6.1997 10.2826 10.2826 10.2921 10.2921 13.7429 13.7429 14.2870 14.2870 15.9448 15.9448 k = 0.5000-0.0751-0.6026 ( 3344 PWs) bands (ev): -12.8704 -12.8704 -12.8694 -12.8694 -11.4837 -11.4837 -11.4629 -11.4629 -10.3738 -10.3738 -10.3693 -10.3693 -3.3797 -3.3797 -3.3792 -3.3792 -0.3803 -0.3803 -0.2001 -0.2001 1.8074 1.8074 1.8548 1.8548 3.0873 3.0873 3.0907 3.0907 4.3702 4.3702 4.3796 4.3796 5.2016 5.2016 5.2066 5.2066 5.5031 5.5031 5.5055 5.5055 5.9689 5.9689 5.9771 5.9771 6.1849 6.1849 6.1922 6.1922 10.3165 10.3165 10.3250 10.3250 13.7245 13.7245 14.2676 14.2676 15.9516 15.9516 k = 0.5000-0.0659-0.6159 ( 3348 PWs) bands (ev): -12.8644 -12.8644 -12.8635 -12.8635 -11.4971 -11.4971 -11.4763 -11.4763 -10.3699 -10.3699 -10.3649 -10.3649 -3.3548 -3.3548 -3.3543 -3.3543 -0.4069 -0.4069 -0.2276 -0.2276 1.8143 1.8143 1.8575 1.8575 3.0920 3.0920 3.0964 3.0964 4.3586 4.3586 4.3699 4.3699 5.2186 5.2186 5.2235 5.2235 5.4828 5.4828 5.4857 5.4857 5.9631 5.9631 5.9717 5.9717 6.1781 6.1781 6.1844 6.1844 10.3493 10.3493 10.3567 10.3567 13.7109 13.7109 14.2528 14.2528 15.9575 15.9575 k = 0.5000-0.0567-0.6293 ( 3348 PWs) bands (ev): -12.8602 -12.8602 -12.8593 -12.8593 -11.5073 -11.5073 -11.4867 -11.4867 -10.3664 -10.3664 -10.3610 -10.3610 -3.3338 -3.3338 -3.3331 -3.3331 -0.4288 -0.4288 -0.2508 -0.2508 1.8198 1.8198 1.8587 1.8587 3.0986 3.0986 3.1041 3.1041 4.3470 4.3470 4.3604 4.3604 5.2325 5.2325 5.2376 5.2376 5.4629 5.4629 5.4662 5.4662 5.9569 5.9569 5.9660 5.9660 6.1712 6.1712 6.1766 6.1766 10.3806 10.3806 10.3871 10.3871 13.7024 13.7024 14.2425 14.2425 15.9625 15.9625 k = 0.5000-0.0475-0.6426 ( 3346 PWs) bands (ev): -12.8580 -12.8580 -12.8571 -12.8571 -11.5142 -11.5142 -11.4937 -11.4937 -10.3632 -10.3632 -10.3574 -10.3574 -3.3170 -3.3170 -3.3160 -3.3160 -0.4456 -0.4456 -0.2693 -0.2693 1.8239 1.8239 1.8584 1.8584 3.1073 3.1073 3.1137 3.1137 4.3356 4.3356 4.3509 4.3509 5.2420 5.2420 5.2475 5.2475 5.4447 5.4447 5.4481 5.4481 5.9505 5.9505 5.9600 5.9600 6.1644 6.1644 6.1687 6.1687 10.4101 10.4101 10.4158 10.4158 13.6992 13.6992 14.2371 14.2371 15.9666 15.9666 k = 0.7627 0.0933-0.2734 ( 3346 PWs) bands (ev): -12.8580 -12.8580 -12.8571 -12.8571 -11.5143 -11.5143 -11.4937 -11.4937 -10.3632 -10.3632 -10.3574 -10.3574 -3.3170 -3.3170 -3.3160 -3.3160 -0.4456 -0.4456 -0.2693 -0.2693 1.8239 1.8239 1.8584 1.8584 3.1073 3.1073 3.1137 3.1137 4.3356 4.3356 4.3509 4.3509 5.2420 5.2420 5.2475 5.2475 5.4447 5.4447 5.4481 5.4481 5.9505 5.9505 5.9600 5.9600 6.1644 6.1644 6.1687 6.1687 10.4101 10.4101 10.4158 10.4158 13.6992 13.6992 14.2371 14.2371 15.9666 15.9666 k = 0.7550 0.0984-0.2599 ( 3344 PWs) bands (ev): -12.8578 -12.8578 -12.8569 -12.8569 -11.5178 -11.5178 -11.4975 -11.4975 -10.3604 -10.3604 -10.3542 -10.3542 -3.3044 -3.3044 -3.3029 -3.3029 -0.4574 -0.4574 -0.2832 -0.2832 1.8263 1.8263 1.8566 1.8566 3.1181 3.1181 3.1254 3.1254 4.3242 4.3242 4.3416 4.3416 5.2456 5.2456 5.2520 5.2520 5.4296 5.4296 5.4328 5.4328 5.9437 5.9437 5.9537 5.9537 6.1576 6.1576 6.1609 6.1609 10.4375 10.4375 10.4427 10.4427 13.7012 13.7012 14.2364 14.2364 15.9698 15.9698 k = 0.7473 0.1036-0.2465 ( 3340 PWs) bands (ev): -12.8598 -12.8598 -12.8589 -12.8589 -11.5179 -11.5179 -11.4978 -11.4978 -10.3579 -10.3579 -10.3514 -10.3514 -3.2964 -3.2964 -3.2942 -3.2942 -0.4637 -0.4637 -0.2920 -0.2920 1.8272 1.8272 1.8532 1.8532 3.1309 3.1309 3.1390 3.1390 4.3129 4.3129 4.3325 4.3325 5.2415 5.2415 5.2492 5.2492 5.4193 5.4193 5.4219 5.4219 5.9368 5.9368 5.9473 5.9473 6.1512 6.1512 6.1534 6.1534 10.4625 10.4625 10.4672 10.4672 13.7087 13.7087 14.2407 14.2407 15.9720 15.9720 k = 0.7396 0.1087-0.2330 ( 3336 PWs) bands (ev): -12.8638 -12.8638 -12.8629 -12.8629 -11.5144 -11.5144 -11.4947 -11.4947 -10.3559 -10.3559 -10.3491 -10.3491 -3.2931 -3.2931 -3.2900 -3.2900 -0.4644 -0.4644 -0.2956 -0.2956 1.8263 1.8263 1.8481 1.8481 3.1457 3.1457 3.1545 3.1545 4.3018 4.3018 4.3235 4.3235 5.2295 5.2295 5.2385 5.2385 5.4140 5.4140 5.4160 5.4160 5.9301 5.9301 5.9408 5.9408 6.1452 6.1452 6.1465 6.1465 10.4846 10.4846 10.4892 10.4892 13.7218 13.7218 14.2501 14.2501 15.9732 15.9732 k = 0.7318 0.1138-0.2195 ( 3336 PWs) bands (ev): -12.8700 -12.8700 -12.8689 -12.8689 -11.5076 -11.5076 -11.4881 -11.4881 -10.3543 -10.3543 -10.3472 -10.3472 -3.2943 -3.2943 -3.2903 -3.2903 -0.4597 -0.4597 -0.2942 -0.2942 1.8238 1.8238 1.8415 1.8415 3.1624 3.1624 3.1718 3.1718 4.2909 4.2909 4.3148 4.3148 5.2105 5.2105 5.2207 5.2207 5.4126 5.4126 5.4143 5.4143 5.9237 5.9237 5.9346 5.9346 6.1398 6.1398 6.1402 6.1402 10.5037 10.5037 10.5084 10.5084 13.7403 13.7403 14.2644 14.2644 15.9734 15.9734 k = 0.7241 0.1190-0.2061 ( 3336 PWs) bands (ev): -12.8780 -12.8780 -12.8769 -12.8769 -11.4974 -11.4974 -11.4783 -11.4783 -10.3531 -10.3531 -10.3458 -10.3458 -3.3000 -3.3000 -3.2948 -3.2948 -0.4496 -0.4496 -0.2878 -0.2878 1.8194 1.8194 1.8332 1.8332 3.1810 3.1810 3.1909 3.1909 4.2801 4.2801 4.3061 4.3061 5.1862 5.1862 5.1974 5.1974 5.4133 5.4133 5.4149 5.4149 5.9179 5.9179 5.9288 5.9288 6.1348 6.1348 6.1351 6.1351 10.5197 10.5197 10.5247 10.5247 13.7642 13.7642 14.2837 14.2837 15.9726 15.9726 k = 0.7164 0.1241-0.1926 ( 3334 PWs) bands (ev): -12.8878 -12.8878 -12.8867 -12.8867 -11.4840 -11.4840 -11.4653 -11.4653 -10.3525 -10.3525 -10.3449 -10.3449 -3.3101 -3.3101 -3.3036 -3.3036 -0.4343 -0.4343 -0.2764 -0.2764 1.8133 1.8133 1.8232 1.8232 3.2015 3.2015 3.2118 3.2118 4.2695 4.2695 4.2976 4.2976 5.1583 5.1583 5.1703 5.1703 5.4143 5.4143 5.4160 5.4160 5.9132 5.9132 5.9237 5.9237 6.1304 6.1304 6.1313 6.1313 10.5323 10.5323 10.5378 10.5378 13.7935 13.7935 14.3079 14.3079 15.9707 15.9707 k = 0.7086 0.1293-0.1791 ( 3332 PWs) bands (ev): -12.8993 -12.8993 -12.8980 -12.8980 -11.4676 -11.4676 -11.4494 -11.4494 -10.3523 -10.3523 -10.3445 -10.3445 -3.3241 -3.3241 -3.3164 -3.3164 -0.4139 -0.4139 -0.2603 -0.2603 1.8054 1.8054 1.8116 1.8116 3.2238 3.2238 3.2344 3.2344 4.2590 4.2590 4.2892 4.2892 5.1279 5.1279 5.1406 5.1406 5.4141 5.4141 5.4161 5.4161 5.9098 5.9098 5.9198 5.9198 6.1270 6.1270 6.1285 6.1285 10.5417 10.5417 10.5479 10.5479 13.8279 13.8279 14.3368 14.3368 15.9678 15.9678 k = 0.7009 0.1344-0.1656 ( 3326 PWs) bands (ev): -12.9122 -12.9122 -12.9108 -12.9108 -11.4485 -11.4485 -11.4307 -11.4307 -10.3526 -10.3526 -10.3447 -10.3447 -3.3419 -3.3419 -3.3328 -3.3328 -0.3888 -0.3888 -0.2398 -0.2398 1.7957 1.7957 1.7983 1.7983 3.2479 3.2479 3.2586 3.2586 4.2485 4.2485 4.2807 4.2807 5.0959 5.0959 5.1091 5.1091 5.4118 5.4118 5.4143 5.4143 5.9081 5.9081 5.9174 5.9174 6.1248 6.1248 6.1266 6.1266 10.5477 10.5477 10.5547 10.5547 13.8672 13.8672 14.3703 14.3703 15.9639 15.9640 k = 0.6932 0.1395-0.1522 ( 3326 PWs) bands (ev): -12.9263 -12.9263 -12.9249 -12.9249 -11.4268 -11.4268 -11.4094 -11.4094 -10.3535 -10.3535 -10.3455 -10.3455 -3.3631 -3.3631 -3.3527 -3.3527 -0.3594 -0.3594 -0.2151 -0.2151 1.7834 1.7834 1.7842 1.7842 3.2736 3.2736 3.2844 3.2844 4.2380 4.2380 4.2723 4.2723 5.0628 5.0628 5.0765 5.0765 5.4067 5.4067 5.4098 5.4098 5.9085 5.9085 5.9169 5.9169 6.1237 6.1237 6.1257 6.1257 10.5505 10.5505 10.5585 10.5585 13.9111 13.9111 14.4082 14.4082 15.9591 15.9591 k = 0.6855 0.1447-0.1387 ( 3326 PWs) bands (ev): -12.9414 -12.9414 -12.9399 -12.9399 -11.4028 -11.4028 -11.3859 -11.3859 -10.3549 -10.3549 -10.3468 -10.3468 -3.3872 -3.3872 -3.3755 -3.3755 -0.3258 -0.3258 -0.1865 -0.1865 1.7669 1.7669 1.7708 1.7708 3.3010 3.3010 3.3118 3.3118 4.2275 4.2275 4.2638 4.2638 5.0292 5.0292 5.0431 5.0431 5.3984 5.3984 5.4020 5.4020 5.9111 5.9111 5.9186 5.9186 6.1237 6.1237 6.1258 6.1258 10.5501 10.5501 10.5591 10.5591 13.9594 13.9594 14.4503 14.4503 15.9532 15.9532 k = 0.6777 0.1498-0.1252 ( 3326 PWs) bands (ev): -12.9572 -12.9572 -12.9557 -12.9557 -11.3767 -11.3767 -11.3603 -11.3603 -10.3569 -10.3569 -10.3488 -10.3488 -3.4139 -3.4139 -3.4010 -3.4010 -0.2886 -0.2886 -0.1543 -0.1543 1.7488 1.7488 1.7557 1.7557 3.3299 3.3299 3.3405 3.3405 4.2170 4.2170 4.2551 4.2551 4.9952 4.9952 5.0093 5.0093 5.3867 5.3867 5.3909 5.3909 5.9161 5.9161 5.9226 5.9226 6.1248 6.1248 6.1269 6.1269 10.5467 10.5467 10.5568 10.5568 14.0117 14.0117 14.4963 14.4963 15.9465 15.9465 k = 0.6700 0.1549-0.1118 ( 3330 PWs) bands (ev): -12.9737 -12.9737 -12.9721 -12.9721 -11.3488 -11.3488 -11.3330 -11.3330 -10.3596 -10.3596 -10.3515 -10.3515 -3.4428 -3.4428 -3.4288 -3.4288 -0.2480 -0.2480 -0.1189 -0.1189 1.7291 1.7291 1.7388 1.7388 3.3602 3.3602 3.3706 3.3706 4.2064 4.2064 4.2463 4.2463 4.9613 4.9613 4.9754 4.9754 5.3717 5.3717 5.3763 5.3763 5.9235 5.9235 5.9290 5.9290 6.1268 6.1268 6.1289 6.1289 10.5405 10.5405 10.5517 10.5517 14.0678 14.0678 14.5460 14.5460 15.9388 15.9388 k = 0.6623 0.1601-0.0983 ( 3322 PWs) bands (ev): -12.9906 -12.9906 -12.9890 -12.9890 -11.3193 -11.3193 -11.3040 -11.3040 -10.3629 -10.3629 -10.3548 -10.3548 -3.4733 -3.4733 -3.4585 -3.4585 -0.2044 -0.2044 -0.0807 -0.0807 1.7080 1.7080 1.7201 1.7201 3.3920 3.3920 3.4021 3.4021 4.1956 4.1956 4.2373 4.2373 4.9277 4.9277 4.9416 4.9416 5.3533 5.3533 5.3583 5.3583 5.9332 5.9332 5.9377 5.9377 6.1297 6.1297 6.1317 6.1317 10.5317 10.5317 10.5439 10.5439 14.1272 14.1272 14.5990 14.5990 15.9304 15.9304 k = 0.6546 0.1652-0.0848 ( 3318 PWs) bands (ev): -13.0077 -13.0077 -13.0060 -13.0060 -11.2884 -11.2884 -11.2737 -11.2737 -10.3669 -10.3669 -10.3589 -10.3589 -3.5052 -3.5052 -3.4896 -3.4896 -0.1582 -0.1582 -0.0399 -0.0399 1.6853 1.6853 1.6997 1.6997 3.4250 3.4250 3.4346 3.4346 4.1847 4.1847 4.2280 4.2280 4.8946 4.8946 4.9082 4.9082 5.3320 5.3320 5.3371 5.3371 5.9449 5.9449 5.9487 5.9487 6.1334 6.1334 6.1353 6.1353 10.5207 10.5207 10.5337 10.5337 14.1895 14.1895 14.6551 14.6551 15.9211 15.9211 k = 0.6468 0.1704-0.0714 ( 3326 PWs) bands (ev): -13.0248 -13.0248 -13.0232 -13.0232 -11.2564 -11.2564 -11.2423 -11.2423 -10.3716 -10.3716 -10.3637 -10.3637 -3.5381 -3.5381 -3.5218 -3.5218 -0.1097 -0.1097 0.0031 0.0031 1.6612 1.6612 1.6776 1.6776 3.4591 3.4591 3.4682 3.4682 4.1736 4.1736 4.2185 4.2185 4.8623 4.8623 4.8753 4.8753 5.3079 5.3079 5.3129 5.3129 5.9584 5.9584 5.9616 5.9616 6.1378 6.1378 6.1395 6.1395 10.5075 10.5075 10.5214 10.5214 14.2544 14.2544 14.7139 14.7139 15.9112 15.9112 k = 0.6391 0.1755-0.0579 ( 3328 PWs) bands (ev): -13.0418 -13.0418 -13.0402 -13.0402 -11.2234 -11.2234 -11.2099 -11.2099 -10.3771 -10.3771 -10.3694 -10.3694 -3.5715 -3.5715 -3.5548 -3.5548 -0.0593 -0.0593 0.0480 0.0480 1.6358 1.6358 1.6538 1.6538 3.4942 3.4942 3.5027 3.5027 4.1623 4.1623 4.2086 4.2086 4.8309 4.8309 4.8433 4.8433 5.2813 5.2813 5.2862 5.2862 5.9735 5.9735 5.9761 5.9761 6.1427 6.1427 6.1443 6.1443 10.4925 10.4925 10.5071 10.5071 14.3215 14.3215 14.7752 14.7752 15.9007 15.9007 k = 0.6314 0.1806-0.0444 ( 3328 PWs) bands (ev): -13.0586 -13.0586 -13.0570 -13.0570 -11.1898 -11.1898 -11.1769 -11.1769 -10.3834 -10.3834 -10.3758 -10.3758 -3.6050 -3.6050 -3.5881 -3.5881 -0.0071 -0.0071 0.0946 0.0946 1.6089 1.6089 1.6284 1.6284 3.5302 3.5302 3.5380 3.5380 4.1509 4.1509 4.1984 4.1984 4.8008 4.8008 4.8124 4.8124 5.2525 5.2525 5.2573 5.2573 5.9899 5.9899 5.9920 5.9920 6.1481 6.1481 6.1495 6.1495 10.4761 10.4761 10.4911 10.4911 14.3903 14.3903 14.8384 14.8384 15.8897 15.8897 k = 0.6236 0.1858-0.0309 ( 3328 PWs) bands (ev): -13.0750 -13.0750 -13.0734 -13.0734 -11.1555 -11.1555 -11.1433 -11.1433 -10.3904 -10.3904 -10.3831 -10.3831 -3.6385 -3.6385 -3.6214 -3.6214 0.0464 0.0464 0.1425 0.1425 1.5809 1.5809 1.6014 1.6014 3.5668 3.5668 3.5739 3.5739 4.1394 4.1394 4.1880 4.1880 4.7721 4.7721 4.7827 4.7827 5.2219 5.2219 5.2264 5.2264 6.0072 6.0072 6.0090 6.0090 6.1538 6.1538 6.1550 6.1550 10.4585 10.4585 10.4738 10.4738 14.4607 14.4607 14.9034 14.9034 15.8784 15.8784 k = 0.6159 0.1909-0.0175 ( 3320 PWs) bands (ev): -13.0908 -13.0908 -13.0893 -13.0893 -11.1209 -11.1209 -11.1093 -11.1093 -10.3984 -10.3984 -10.3913 -10.3913 -3.6714 -3.6714 -3.6545 -3.6545 0.1011 0.1011 0.1915 0.1915 1.5515 1.5515 1.5729 1.5729 3.6040 3.6040 3.6102 3.6102 4.1278 4.1278 4.1773 4.1773 4.7451 4.7451 4.7546 4.7546 5.1897 5.1897 5.1938 5.1938 6.0252 6.0252 6.0267 6.0267 6.1597 6.1597 6.1608 6.1608 10.4401 10.4401 10.4555 10.4555 14.5320 14.5320 14.9696 14.9696 15.8668 15.8668 k = 0.6082 0.1961-0.0040 ( 3322 PWs) bands (ev): -13.1061 -13.1061 -13.1046 -13.1046 -11.0861 -11.0861 -11.0751 -11.0751 -10.4072 -10.4072 -10.4004 -10.4004 -3.7036 -3.7036 -3.6869 -3.6869 0.1566 0.1566 0.2414 0.2414 1.5210 1.5210 1.5428 1.5428 3.6414 3.6414 3.6466 3.6466 4.1163 4.1163 4.1664 4.1664 4.7200 4.7200 4.7283 4.7283 5.1561 5.1561 5.1597 5.1597 6.0435 6.0435 6.0449 6.0449 6.1658 6.1658 6.1667 6.1667 10.4210 10.4210 10.4364 10.4364 14.6040 14.6040 15.0367 15.0367 15.8552 15.8553 k = 0.6005 0.2012 0.0095 ( 3330 PWs) bands (ev): -13.1206 -13.1206 -13.1192 -13.1192 -11.0512 -11.0512 -11.0409 -11.0409 -10.4169 -10.4169 -10.4105 -10.4105 -3.7347 -3.7347 -3.7184 -3.7184 0.2128 0.2128 0.2919 0.2919 1.4893 1.4893 1.5112 1.5112 3.6787 3.6787 3.6829 3.6829 4.1050 4.1050 4.1554 4.1554 4.6969 4.6969 4.7040 4.7040 5.1214 5.1214 5.1246 5.1246 6.0620 6.0620 6.0633 6.0633 6.1718 6.1718 6.1727 6.1727 10.4017 10.4017 10.4169 10.4169 14.6763 14.6763 15.1041 15.1041 15.8439 15.8439 k = 0.5927 0.2063 0.0229 ( 3330 PWs) bands (ev): -13.1344 -13.1344 -13.1330 -13.1330 -11.0164 -11.0164 -11.0069 -11.0069 -10.4276 -10.4276 -10.4215 -10.4215 -3.7644 -3.7644 -3.7488 -3.7488 0.2694 0.2694 0.3427 0.3427 1.4566 1.4566 1.4782 1.4782 3.7158 3.7158 3.7187 3.7187 4.0940 4.0940 4.1444 4.1444 4.6761 4.6761 4.6820 4.6820 5.0859 5.0859 5.0885 5.0885 6.0804 6.0804 6.0816 6.0816 6.1779 6.1779 6.1786 6.1786 10.3824 10.3824 10.3972 10.3972 14.7484 14.7484 15.1712 15.1712 15.8331 15.8331 k = 0.5850 0.2115 0.0364 ( 3334 PWs) bands (ev): -13.1473 -13.1473 -13.1460 -13.1460 -10.9819 -10.9819 -10.9730 -10.9730 -10.4392 -10.4392 -10.4335 -10.4335 -3.7927 -3.7927 -3.7778 -3.7778 0.3262 0.3262 0.3938 0.3938 1.4228 1.4228 1.4438 1.4438 3.7522 3.7522 3.7538 3.7538 4.0836 4.0836 4.1337 4.1337 4.6578 4.6578 4.6625 4.6625 5.0496 5.0496 5.0518 5.0518 6.0984 6.0984 6.0995 6.0995 6.1838 6.1838 6.1844 6.1844 10.3635 10.3635 10.3776 10.3776 14.8199 14.8199 15.2372 15.2372 15.8234 15.8234 k = 0.5773 0.2166 0.0499 ( 3338 PWs) bands (ev): -13.1593 -13.1593 -13.1581 -13.1581 -10.9477 -10.9477 -10.9396 -10.9396 -10.4519 -10.4519 -10.4466 -10.4466 -3.8191 -3.8191 -3.8051 -3.8051 0.3829 0.3829 0.4449 0.4449 1.3880 1.3880 1.4080 1.4080 3.7875 3.7875 3.7876 3.7876 4.0741 4.0741 4.1235 4.1235 4.6422 4.6422 4.6458 4.6458 5.0129 5.0129 5.0145 5.0145 6.1157 6.1157 6.1167 6.1167 6.1895 6.1895 6.1901 6.1901 10.3451 10.3451 10.3586 10.3586 14.8905 14.8905 15.3012 15.3012 15.8156 15.8156 k = 0.5695 0.2217 0.0634 ( 3340 PWs) bands (ev): -13.1703 -13.1703 -13.1692 -13.1692 -10.9141 -10.9141 -10.9066 -10.9066 -10.4656 -10.4656 -10.4608 -10.4608 -3.8435 -3.8435 -3.8306 -3.8306 0.4394 0.4394 0.4957 0.4957 1.3523 1.3523 1.3710 1.3710 3.8197 3.8197 3.8210 3.8210 4.0658 4.0658 4.1140 4.1140 4.6296 4.6296 4.6320 4.6320 4.9759 4.9759 4.9771 4.9771 6.1322 6.1322 6.1331 6.1331 6.1949 6.1949 6.1954 6.1954 10.3277 10.3277 10.3402 10.3402 14.9596 14.9596 15.3614 15.3614 15.8108 15.8108 k = 0.5618 0.2269 0.0768 ( 3344 PWs) bands (ev): -13.1802 -13.1802 -13.1792 -13.1792 -10.8810 -10.8810 -10.8743 -10.8743 -10.4803 -10.4803 -10.4760 -10.4760 -3.8658 -3.8658 -3.8540 -3.8540 0.4955 0.4955 0.5460 0.5460 1.3158 1.3158 1.3328 1.3328 3.8494 3.8494 3.8522 3.8522 4.0591 4.0591 4.1056 4.1056 4.6200 4.6200 4.6216 4.6216 4.9389 4.9389 4.9397 4.9397 6.1475 6.1475 6.1483 6.1483 6.2001 6.2001 6.2005 6.2005 10.3114 10.3114 10.3229 10.3229 15.0269 15.0269 15.4156 15.4156 15.8109 15.8109 k = 0.5541 0.2320 0.0903 ( 3344 PWs) bands (ev): -13.1891 -13.1891 -13.1882 -13.1882 -10.8487 -10.8487 -10.8427 -10.8427 -10.4960 -10.4960 -10.4923 -10.4923 -3.8857 -3.8857 -3.8751 -3.8751 0.5508 0.5508 0.5957 0.5957 1.2786 1.2786 1.2936 1.2936 3.8759 3.8759 3.8800 3.8800 4.0547 4.0547 4.0986 4.0986 4.6138 4.6138 4.6146 4.6146 4.9021 4.9021 4.9026 4.9026 6.1614 6.1614 6.1621 6.1621 6.2049 6.2049 6.2053 6.2053 10.2965 10.2965 10.3069 10.3069 15.0918 15.0918 15.4606 15.4606 15.8186 15.8186 k = 0.5464 0.2372 0.1038 ( 3342 PWs) bands (ev): -13.1969 -13.1969 -13.1961 -13.1961 -10.8172 -10.8172 -10.8119 -10.8119 -10.5128 -10.5128 -10.5096 -10.5096 -3.9032 -3.9032 -3.8939 -3.8939 0.6051 0.6051 0.6443 0.6443 1.2409 1.2409 1.2536 1.2536 3.8987 3.8987 3.9036 3.9036 4.0532 4.0532 4.0936 4.0936 4.6113 4.6113 4.6115 4.6115 4.8659 4.8659 4.8660 4.8660 6.1737 6.1737 6.1743 6.1743 6.2094 6.2094 6.2097 6.2097 10.2833 10.2833 10.2923 10.2923 15.1538 15.1538 15.4933 15.4933 15.8366 15.8366 k = 0.5386 0.2423 0.1172 ( 3342 PWs) bands (ev): -13.2035 -13.2035 -13.2028 -13.2028 -10.7866 -10.7866 -10.7822 -10.7822 -10.5306 -10.5306 -10.5280 -10.5280 -3.9180 -3.9180 -3.9102 -3.9102 0.6579 0.6579 0.6915 0.6915 1.2031 1.2031 1.2132 1.2132 3.9172 3.9172 3.9220 3.9220 4.0550 4.0550 4.0905 4.0905 4.6123 4.6123 4.6125 4.6125 4.8304 4.8304 4.8304 4.8304 6.1842 6.1842 6.1847 6.1847 6.2135 6.2135 6.2138 6.2138 10.2718 10.2718 10.2795 10.2795 15.2124 15.2124 15.5115 15.5115 15.8659 15.8659 k = 0.5309 0.2474 0.1307 ( 3340 PWs) bands (ev): -13.2089 -13.2089 -13.2084 -13.2084 -10.7573 -10.7573 -10.7536 -10.7536 -10.5493 -10.5493 -10.5473 -10.5473 -3.9302 -3.9302 -3.9238 -3.9238 0.7086 0.7086 0.7365 0.7365 1.1656 1.1656 1.1729 1.1729 3.9310 3.9310 3.9351 3.9351 4.0601 4.0601 4.0893 4.0893 4.6174 4.6174 4.6177 4.6177 4.7960 4.7960 4.7962 4.7962 6.1926 6.1926 6.1930 6.1930 6.2174 6.2174 6.2175 6.2175 10.2624 10.2624 10.2686 10.2686 15.2673 15.2673 15.5160 15.5160 15.9051 15.9051 k = 0.5232 0.2526 0.1442 ( 3342 PWs) bands (ev): -13.2131 -13.2131 -13.2127 -13.2127 -10.7293 -10.7293 -10.7264 -10.7264 -10.5687 -10.5687 -10.5674 -10.5674 -3.9395 -3.9395 -3.9347 -3.9347 0.7560 0.7560 0.7781 0.7781 1.1296 1.1296 1.1341 1.1341 3.9405 3.9405 3.9433 3.9433 4.0672 4.0672 4.0893 4.0893 4.6267 4.6267 4.6271 4.6271 4.7633 4.7633 4.7636 4.7636 6.1990 6.1990 6.1993 6.1993 6.2207 6.2207 6.2208 6.2208 10.2551 10.2551 10.2598 10.2598 15.3178 15.3178 15.5090 15.5090 15.9501 15.9501 k = 0.5155 0.2577 0.1577 ( 3344 PWs) bands (ev): -13.2161 -13.2161 -13.2159 -13.2159 -10.7034 -10.7034 -10.7013 -10.7013 -10.5883 -10.5883 -10.5876 -10.5876 -3.9460 -3.9460 -3.9428 -3.9428 0.7980 0.7980 0.8139 0.8139 1.0971 1.0971 1.0990 1.0990 3.9463 3.9463 3.9479 3.9479 4.0748 4.0748 4.0895 4.0895 4.6403 4.6403 4.6406 4.6406 4.7328 4.7328 4.7330 4.7330 6.2033 6.2033 6.2035 6.2035 6.2234 6.2234 6.2235 6.2235 10.2500 10.2500 10.2532 10.2532 15.3636 15.3636 15.4930 15.4930 15.9966 15.9966 k = 0.5077 0.2628 0.1711 ( 3346 PWs) bands (ev): -13.2179 -13.2179 -13.2178 -13.2178 -10.6815 -10.6815 -10.6803 -10.6803 -10.6061 -10.6061 -10.6059 -10.6059 -3.9496 -3.9496 -3.9480 -3.9480 0.8302 0.8302 0.8388 0.8388 1.0723 1.0723 1.0727 1.0727 3.9495 3.9495 3.9502 3.9502 4.0815 4.0815 4.0887 4.0887 4.6579 4.6579 4.6581 4.6581 4.7049 4.7049 4.7051 4.7051 6.2058 6.2058 6.2059 6.2059 6.2252 6.2252 6.2252 6.2252 10.2472 10.2472 10.2488 10.2488 15.4044 15.4044 15.4696 15.4696 16.0396 16.0396 k = 0.5000 0.2680 0.1846 ( 3342 PWs) bands (ev): -13.2185 -13.2185 -13.2185 -13.2185 -10.6708 -10.6708 -10.6708 -10.6708 -10.6150 -10.6150 -10.6150 -10.6150 -3.9502 -3.9502 -3.9502 -3.9502 0.8456 0.8456 0.8456 0.8456 1.0625 1.0625 1.0625 1.0625 3.9506 3.9506 3.9506 3.9506 4.0862 4.0862 4.0862 4.0862 4.6767 4.6767 4.6767 4.6767 4.6828 4.6828 4.6828 4.6828 6.2067 6.2067 6.2067 6.2067 6.2258 6.2258 6.2258 6.2258 10.2468 10.2468 10.2468 10.2468 15.4399 15.4399 15.4399 15.4399 16.0740 16.0740 k = 0.5000 0.2680 0.1846 ( 3342 PWs) bands (ev): -13.2185 -13.2185 -13.2185 -13.2185 -10.6708 -10.6708 -10.6708 -10.6708 -10.6150 -10.6150 -10.6150 -10.6150 -3.9502 -3.9502 -3.9502 -3.9502 0.8456 0.8456 0.8456 0.8456 1.0625 1.0625 1.0625 1.0625 3.9506 3.9506 3.9506 3.9506 4.0862 4.0862 4.0862 4.0862 4.6767 4.6767 4.6767 4.6767 4.6828 4.6828 4.6828 4.6828 6.2067 6.2067 6.2067 6.2067 6.2258 6.2258 6.2258 6.2258 10.2468 10.2468 10.2468 10.2468 15.4399 15.4399 15.4399 15.4399 16.0740 16.0740 k = 0.4865 0.2607 0.1796 ( 3354 PWs) bands (ev): -13.2766 -13.2766 -13.1592 -13.1592 -10.6974 -10.6974 -10.6439 -10.6439 -10.6398 -10.6398 -10.5899 -10.5899 -4.0678 -4.0678 -3.8324 -3.8324 0.7450 0.7450 0.9472 0.9472 0.9668 0.9668 1.1592 1.1592 3.8930 3.8930 4.0078 4.0078 4.0714 4.0714 4.0999 4.0999 4.6236 4.6236 4.6302 4.6302 4.7292 4.7292 4.7349 4.7349 6.1997 6.1997 6.2143 6.2143 6.2189 6.2189 6.2334 6.2334 10.1599 10.1599 10.3348 10.3348 15.3705 15.3705 15.4974 15.4974 16.0049 16.0049 k = 0.4730 0.2535 0.1746 ( 3348 PWs) bands (ev): -13.3336 -13.3336 -13.0988 -13.0988 -10.7236 -10.7236 -10.6643 -10.6643 -10.6168 -10.6168 -10.5645 -10.5645 -4.1851 -4.1851 -3.7143 -3.7143 0.6457 0.6457 0.8722 0.8722 1.0499 1.0499 1.2569 1.2569 3.8367 3.8367 4.0374 4.0374 4.0824 4.0824 4.1113 4.1113 4.5701 4.5701 4.5772 4.5772 4.7808 4.7808 4.7861 4.7861 6.1933 6.1933 6.2126 6.2126 6.2226 6.2226 6.2417 6.2417 10.0743 10.0743 10.4237 10.4237 15.2924 15.2924 15.5377 15.5377 15.9519 15.9520 k = 0.4595 0.2463 0.1696 ( 3348 PWs) bands (ev): -13.3894 -13.3894 -13.0375 -13.0375 -10.7495 -10.7495 -10.6885 -10.6885 -10.5894 -10.5894 -10.5390 -10.5390 -4.3020 -4.3020 -3.5961 -3.5961 0.5477 0.5477 0.7789 0.7789 1.1535 1.1535 1.3553 1.3553 3.7820 3.7820 4.0187 4.0187 4.1184 4.1184 4.1415 4.1415 4.5165 4.5165 4.5239 4.5239 4.8316 4.8316 4.8363 4.8363 6.1876 6.1876 6.2068 6.2068 6.2317 6.2317 6.2506 6.2506 9.9900 9.9900 10.5136 10.5136 15.2074 15.2074 15.5531 15.5531 15.9231 15.9231 k = 0.4459 0.2390 0.1646 ( 3342 PWs) bands (ev): -13.4439 -13.4439 -12.9751 -12.9751 -10.7749 -10.7749 -10.7123 -10.7123 -10.5619 -10.5619 -10.5134 -10.5134 -4.4184 -4.4184 -3.4779 -3.4779 0.4511 0.4511 0.6869 0.6869 1.2578 1.2578 1.4543 1.4543 3.7290 3.7290 3.9922 3.9922 4.1245 4.1245 4.2048 4.2048 4.4628 4.4628 4.4707 4.4707 4.8811 4.8811 4.8853 4.8853 6.1824 6.1824 6.2016 6.2016 6.2415 6.2415 6.2602 6.2602 9.9070 9.9070 10.6042 10.6042 15.1168 15.1168 15.5394 15.5394 15.9229 15.9229 k = 0.4324 0.2318 0.1597 ( 3342 PWs) bands (ev): -13.4972 -13.4972 -12.9119 -12.9119 -10.7999 -10.7999 -10.7358 -10.7358 -10.5342 -10.5342 -10.4877 -10.4877 -4.5342 -4.5342 -3.3596 -3.3596 0.3562 0.3562 0.5963 0.5963 1.3627 1.3627 1.5539 1.5539 3.6777 3.6777 3.9615 3.9615 4.1277 4.1277 4.2706 4.2706 4.4093 4.4093 4.4177 4.4177 4.9293 4.9293 4.9329 4.9329 6.1778 6.1778 6.1969 6.1969 6.2521 6.2521 6.2706 6.2706 9.8254 9.8254 10.6953 10.6953 15.0216 15.0216 15.5024 15.5024 15.8456 15.8456 k = 0.4189 0.2245 0.1547 ( 3342 PWs) bands (ev): -13.5490 -13.5490 -12.8478 -12.8478 -10.8244 -10.8244 -10.7587 -10.7587 -10.5065 -10.5065 -10.4619 -10.4619 -4.6494 -4.6494 -3.2415 -3.2415 0.2629 0.2629 0.5073 0.5073 1.4681 1.4681 1.6538 1.6538 3.6283 3.6283 3.9271 3.9271 4.1285 4.1285 4.3371 4.3371 4.3562 4.3562 4.3660 4.3660 4.9760 4.9760 4.9789 4.9789 6.1737 6.1737 6.1927 6.1927 6.2634 6.2634 6.2816 6.2816 9.7453 9.7453 10.7870 10.7870 14.9228 14.9228 15.4518 15.4518 15.7316 15.7316 k = 0.4054 0.2173 0.1497 ( 3342 PWs) bands (ev): -13.5996 -13.5996 -12.7830 -12.7830 -10.8484 -10.8484 -10.7813 -10.7813 -10.4787 -10.4787 -10.4361 -10.4361 -4.7638 -4.7638 -3.1234 -3.1234 0.1713 0.1713 0.4200 0.4200 1.5738 1.5738 1.7539 1.7539 3.5807 3.5807 3.8890 3.8890 4.1269 4.1269 4.3036 4.3036 4.3120 4.3120 4.4079 4.4079 5.0210 5.0210 5.0231 5.0231 6.1700 6.1700 6.1890 6.1890 6.2755 6.2755 6.2934 6.2934 9.6667 9.6667 10.8788 10.8788 14.8214 14.8214 15.3945 15.3945 15.6179 15.6179 k = 0.3919 0.2100 0.1447 ( 3336 PWs) bands (ev): -13.6487 -13.6487 -12.7175 -12.7175 -10.8719 -10.8719 -10.8033 -10.8033 -10.4510 -10.4510 -10.4104 -10.4104 -4.8775 -4.8775 -3.0055 -3.0055 0.0817 0.0817 0.3344 0.3344 1.6796 1.6796 1.8540 1.8540 3.5350 3.5350 3.8474 3.8474 4.1232 4.1232 4.2518 4.2518 4.2609 4.2609 4.4781 4.4781 5.0641 5.0641 5.0654 5.0654 6.1668 6.1668 6.1858 6.1858 6.2883 6.2883 6.3058 6.3058 9.5896 9.5896 10.9709 10.9709 14.7180 14.7180 15.3341 15.3341 15.5048 15.5048 k = 0.3784 0.2028 0.1397 ( 3336 PWs) bands (ev): -13.6964 -13.6964 -12.6515 -12.6515 -10.8947 -10.8947 -10.8248 -10.8248 -10.4234 -10.4234 -10.3847 -10.3847 -4.9903 -4.9903 -2.8880 -2.8880 -0.0060 -0.0060 0.2506 0.2506 1.7854 1.7854 1.9539 1.9539 3.4912 3.4912 3.8022 3.8022 4.1175 4.1175 4.2010 4.2010 4.2106 4.2106 4.5497 4.5497 5.1053 5.1053 5.1056 5.1056 6.1641 6.1641 6.1829 6.1829 6.3018 6.3018 6.3188 6.3188 9.5140 9.5140 11.0629 11.0629 14.6135 14.6135 15.2722 15.2722 15.3925 15.3925 k = 0.3649 0.1956 0.1347 ( 3336 PWs) bands (ev): -13.7426 -13.7426 -12.5849 -12.5849 -10.9169 -10.9169 -10.8457 -10.8457 -10.3959 -10.3959 -10.3593 -10.3593 -5.1020 -5.1020 -2.7708 -2.7708 -0.0915 -0.0915 0.1687 0.1687 1.8910 1.8910 2.0535 2.0535 3.4492 3.4492 3.7536 3.7536 4.1097 4.1097 4.1513 4.1513 4.1617 4.1617 4.6225 4.6225 5.1436 5.1436 5.1443 5.1443 6.1618 6.1618 6.1805 6.1805 6.3159 6.3159 6.3325 6.3325 9.4399 9.4399 11.1546 11.1546 14.5084 14.5084 15.2097 15.2097 15.2814 15.2814 k = 0.3514 0.1883 0.1297 ( 3336 PWs) bands (ev): -13.7874 -13.7874 -12.5180 -12.5180 -10.9386 -10.9386 -10.8661 -10.8661 -10.3686 -10.3686 -10.3340 -10.3340 -5.2126 -5.2126 -2.6540 -2.6540 -0.1749 -0.1749 0.0889 0.0889 1.9961 1.9961 2.1525 2.1525 3.4090 3.4090 3.7015 3.7015 4.0972 4.0972 4.1029 4.1029 4.1172 4.1172 4.6963 4.6963 5.1793 5.1793 5.1812 5.1812 6.1598 6.1598 6.1785 6.1785 6.3306 6.3306 6.3465 6.3465 9.3671 9.3671 11.2460 11.2460 14.4034 14.4034 15.1470 15.1470 15.1715 15.1715 k = 0.3378 0.1811 0.1247 ( 3321 PWs) bands (ev): -13.8306 -13.8306 -12.4507 -12.4507 -10.9595 -10.9595 -10.8858 -10.8858 -10.3416 -10.3416 -10.3090 -10.3090 -5.3220 -5.3220 -2.5379 -2.5379 -0.2559 -0.2559 0.0111 0.0111 2.1004 2.1004 2.2506 2.2506 3.3708 3.3708 3.6463 3.6463 4.0561 4.0561 4.0627 4.0627 4.0950 4.0950 4.7710 4.7710 5.2127 5.2127 5.2159 5.2159 6.1583 6.1583 6.1768 6.1768 6.3456 6.3456 6.3610 6.3610 9.2958 9.2958 11.3369 11.3369 14.2989 14.2989 15.0632 15.0632 15.0844 15.0844 k = 0.3243 0.1738 0.1197 ( 3324 PWs) bands (ev): -13.8723 -13.8723 -12.3834 -12.3834 -10.9798 -10.9798 -10.9050 -10.9050 -10.3149 -10.3149 -10.2844 -10.2844 -5.4300 -5.4300 -2.4224 -2.4224 -0.3345 -0.3345 -0.0644 -0.0644 2.2038 2.2038 2.3475 2.3475 3.3343 3.3343 3.5878 3.5878 4.0112 4.0112 4.0190 4.0190 4.0823 4.0823 4.8466 4.8466 5.2436 5.2436 5.2483 5.2483 6.1572 6.1572 6.1756 6.1756 6.3610 6.3610 6.3757 6.3757 9.2258 9.2258 11.4270 11.4270 14.1955 14.1955 14.9567 14.9567 15.0219 15.0219 k = 0.3108 0.1666 0.1148 ( 3327 PWs) bands (ev): -13.9125 -13.9125 -12.3160 -12.3160 -10.9993 -10.9993 -10.9235 -10.9235 -10.2886 -10.2886 -10.2601 -10.2601 -5.5364 -5.5364 -2.3077 -2.3077 -0.4105 -0.4105 -0.1377 -0.1377 2.3059 2.3059 2.4428 2.4428 3.2998 3.2998 3.5264 3.5264 3.9684 3.9684 3.9764 3.9764 4.0696 4.0696 4.9228 4.9228 5.2721 5.2721 5.2783 5.2783 6.1564 6.1564 6.1747 6.1747 6.3764 6.3764 6.3905 6.3905 9.1570 9.1570 11.5161 11.5161 14.0935 14.0935 14.8522 14.8522 14.9597 14.9597 k = 0.2973 0.1593 0.1098 ( 3339 PWs) bands (ev): -13.9511 -13.9511 -12.2487 -12.2487 -11.0182 -11.0182 -10.9413 -10.9413 -10.2627 -10.2627 -10.2362 -10.2362 -5.6413 -5.6413 -2.1940 -2.1940 -0.4837 -0.4837 -0.2086 -0.2086 2.4062 2.4062 2.5363 2.5363 3.2670 3.2670 3.4622 3.4622 3.9280 3.9280 3.9359 3.9359 4.0561 4.0561 4.9996 4.9996 5.2981 5.2981 5.3061 5.3061 6.1560 6.1560 6.1741 6.1741 6.3918 6.3918 6.4052 6.4052 9.0895 9.0895 11.6042 11.6042 13.9935 13.9935 14.7500 14.7500 14.8977 14.8977 k = 0.2838 0.1521 0.1048 ( 3342 PWs) bands (ev): -13.9881 -13.9881 -12.1817 -12.1817 -11.0362 -11.0362 -10.9585 -10.9585 -10.2374 -10.2374 -10.2129 -10.2129 -5.7442 -5.7442 -2.0814 -2.0814 -0.5541 -0.5541 -0.2771 -0.2771 2.5043 2.5043 2.6272 2.6272 3.2361 3.2361 3.3954 3.3954 3.8905 3.8905 3.8979 3.8979 4.0421 4.0421 5.0767 5.0767 5.3217 5.3217 5.3315 5.3315 6.1560 6.1560 6.1739 6.1739 6.4070 6.4070 6.4197 6.4197 9.0230 9.0230 11.6909 11.6909 13.8959 13.8959 14.6504 14.6504 14.8360 14.8360 k = 0.2703 0.1449 0.0998 ( 3342 PWs) bands (ev): -14.0235 -14.0235 -12.1151 -12.1151 -11.0535 -11.0535 -10.9750 -10.9750 -10.2127 -10.2127 -10.1901 -10.1901 -5.8452 -5.8452 -1.9703 -1.9703 -0.6212 -0.6212 -0.3430 -0.3430 2.5997 2.5997 2.7151 2.7151 3.2069 3.2069 3.3263 3.3263 3.8563 3.8563 3.8629 3.8629 4.0276 4.0276 5.1542 5.1542 5.3430 5.3430 5.3548 5.3548 6.1564 6.1564 6.1741 6.1741 6.4217 6.4217 6.4337 6.4337 8.9577 8.9577 11.7761 11.7761 13.8011 13.8011 14.5535 14.5535 14.7746 14.7746 k = 0.2568 0.1376 0.0948 ( 3333 PWs) bands (ev): -14.0572 -14.0572 -12.0491 -12.0491 -11.0700 -11.0700 -10.9907 -10.9907 -10.1886 -10.1886 -10.1679 -10.1679 -5.9440 -5.9440 -1.8611 -1.8611 -0.6850 -0.6850 -0.4063 -0.4063 2.6915 2.6915 2.7992 2.7992 3.1795 3.1795 3.2553 3.2553 3.8260 3.8260 3.8315 3.8315 4.0127 4.0127 5.2316 5.2316 5.3620 5.3620 5.3759 5.3759 6.1571 6.1571 6.1747 6.1747 6.4358 6.4358 6.4472 6.4472 8.8933 8.8933 11.8596 11.8596 13.7096 13.7096 14.4596 14.4596 14.7136 14.7136 k = 0.2432 0.1304 0.0898 ( 3348 PWs) bands (ev): -14.0893 -14.0893 -11.9840 -11.9840 -11.0857 -11.0857 -11.0058 -11.0058 -10.1652 -10.1652 -10.1465 -10.1465 -6.0404 -6.0404 -1.7540 -1.7540 -0.7449 -0.7449 -0.4670 -0.4670 2.7788 2.7788 2.8785 2.8785 3.1537 3.1537 3.1828 3.1828 3.8005 3.8005 3.8043 3.8043 3.9976 3.9976 5.3086 5.3086 5.3791 5.3791 5.3950 5.3950 6.1581 6.1581 6.1756 6.1756 6.4490 6.4490 6.4598 6.4598 8.8300 8.8300 11.9410 11.9410 13.6218 13.6218 14.3689 14.3689 14.6530 14.6530 k = 0.2297 0.1231 0.0848 ( 3342 PWs) bands (ev): -14.1198 -14.1198 -11.9199 -11.9199 -11.1006 -11.1006 -11.0200 -11.0200 -10.1426 -10.1426 -10.1257 -10.1257 -6.1342 -6.1342 -1.6500 -1.6500 -0.8003 -0.8003 -0.5249 -0.5249 2.8599 2.8599 2.9518 2.9518 3.1089 3.1089 3.1304 3.1304 3.7807 3.7807 3.7821 3.7821 3.9824 3.9824 5.3814 5.3814 5.3980 5.3980 5.4121 5.4121 6.1596 6.1596 6.1768 6.1768 6.4612 6.4612 6.4715 6.4715 8.7677 8.7677 12.0201 12.0201 13.5382 13.5382 14.2817 14.2817 14.5928 14.5928 k = 0.2162 0.1159 0.0798 ( 3354 PWs) bands (ev): -14.1486 -14.1486 -11.8572 -11.8572 -11.1145 -11.1145 -11.0336 -11.0336 -10.1209 -10.1209 -10.1058 -10.1058 -6.2252 -6.2252 -1.5502 -1.5502 -0.8502 -0.8502 -0.5799 -0.5799 2.9299 2.9299 3.0179 3.0179 3.0392 3.0392 3.1080 3.1080 3.7660 3.7660 3.7677 3.7677 3.9674 3.9674 5.4042 5.4042 5.4272 5.4272 5.4642 5.4642 6.1614 6.1614 6.1784 6.1784 6.4722 6.4722 6.4820 6.4820 8.7063 8.7063 12.0964 12.0964 13.4595 13.4595 14.1982 14.1982 14.5330 14.5330 k = 0.2027 0.1086 0.0748 ( 3348 PWs) bands (ev): -14.1757 -14.1757 -11.7959 -11.7959 -11.1276 -11.1276 -11.0464 -11.0464 -10.1001 -10.1001 -10.0867 -10.0867 -6.3130 -6.3130 -1.4565 -1.4565 -0.8928 -0.8928 -0.6320 -0.6320 2.9375 2.9375 3.0225 3.0225 3.0751 3.0751 3.0876 3.0876 3.7572 3.7572 3.7629 3.7629 3.9527 3.9527 5.4152 5.4152 5.4406 5.4406 5.5395 5.5395 6.1636 6.1636 6.1804 6.1804 6.4818 6.4818 6.4913 6.4913 8.6459 8.6459 12.1694 12.1694 13.3862 13.3862 14.1186 14.1186 14.4737 14.4737 k = 0.1892 0.1014 0.0699 ( 3330 PWs) bands (ev): -14.2011 -14.2011 -11.7365 -11.7365 -11.1397 -11.1397 -11.0584 -11.0584 -10.0802 -10.0802 -10.0685 -10.0685 -6.3975 -6.3975 -1.3728 -1.3728 -0.9245 -0.9245 -0.6812 -0.6812 2.8695 2.8695 3.0625 3.0625 3.0780 3.0780 3.1223 3.1223 3.7569 3.7569 3.7672 3.7672 3.9385 3.9385 5.4241 5.4241 5.4524 5.4524 5.6142 5.6142 6.1662 6.1662 6.1827 6.1827 6.4900 6.4900 6.4992 6.4992 8.5868 8.5868 12.2386 12.2386 13.3192 13.3192 14.0431 14.0431 14.4149 14.4149 k = 0.1757 0.0942 0.0649 ( 3324 PWs) bands (ev): -14.2248 -14.2248 -11.6793 -11.6793 -11.1509 -11.1509 -11.0696 -11.0696 -10.0615 -10.0615 -10.0513 -10.0513 -6.4783 -6.4783 -1.3058 -1.3058 -0.9389 -0.9389 -0.7272 -0.7272 2.7942 2.7942 3.0494 3.0494 3.1195 3.1195 3.1585 3.1585 3.7657 3.7657 3.7812 3.7812 3.9252 3.9252 5.4311 5.4311 5.4625 5.4625 5.6874 5.6874 6.1691 6.1691 6.1853 6.1853 6.4966 6.4966 6.5058 6.5058 8.5288 8.5288 12.3030 12.3030 13.2595 13.2595 13.9719 13.9719 14.3567 14.3567 k = 0.1622 0.0869 0.0599 ( 3324 PWs) bands (ev): -14.2467 -14.2467 -11.6246 -11.6246 -11.1610 -11.1610 -11.0800 -11.0800 -10.0438 -10.0438 -10.0352 -10.0352 -6.5551 -6.5551 -1.2643 -1.2643 -0.9273 -0.9273 -0.7702 -0.7702 2.7184 2.7184 3.0337 3.0337 3.1550 3.1550 3.1841 3.1841 3.7836 3.7836 3.8043 3.8043 3.9131 3.9131 5.4365 5.4365 5.4713 5.4713 5.7590 5.7590 6.1723 6.1723 6.1883 6.1883 6.5017 6.5017 6.5108 6.5108 8.4721 8.4721 12.3616 12.3616 13.2081 13.2081 13.9052 13.9052 14.2992 14.2992 k = 0.1486 0.0797 0.0549 ( 3318 PWs) bands (ev): -14.2670 -14.2670 -11.5728 -11.5728 -11.1700 -11.1700 -11.0896 -11.0896 -10.0273 -10.0273 -10.0201 -10.0201 -6.6276 -6.6276 -1.2512 -1.2512 -0.8874 -0.8874 -0.8100 -0.8100 2.6434 2.6434 3.0193 3.0193 3.1803 3.1803 3.2003 3.2003 3.8083 3.8083 3.8350 3.8350 3.9038 3.9038 5.4405 5.4405 5.4787 5.4787 5.8284 5.8284 6.1759 6.1759 6.1915 6.1915 6.5052 6.5052 6.5145 6.5145 8.4171 8.4171 12.4130 12.4130 13.1666 13.1666 13.8432 13.8432 14.2423 14.2423 k = 0.1351 0.0724 0.0499 ( 3318 PWs) bands (ev): -14.2855 -14.2855 -11.5242 -11.5242 -11.1779 -11.1779 -11.0984 -11.0984 -10.0120 -10.0120 -10.0061 -10.0061 -6.6954 -6.6954 -1.2581 -1.2581 -0.8465 -0.8465 -0.8281 -0.8281 2.5700 2.5700 3.0062 3.0062 3.1965 3.1965 3.2089 3.2089 3.8338 3.8338 3.8710 3.8710 3.9014 3.9014 5.4431 5.4431 5.4848 5.4848 5.8951 5.8951 6.1797 6.1797 6.1950 6.1950 6.5073 6.5073 6.5168 6.5168 8.3640 8.3640 12.4558 12.4558 13.1365 13.1365 13.7861 13.7861 14.1863 14.1863 k = 0.1216 0.0652 0.0449 ( 3318 PWs) bands (ev): -14.3023 -14.3023 -11.4794 -11.4794 -11.1844 -11.1844 -11.1064 -11.1064 -9.9980 -9.9980 -9.9933 -9.9933 -6.7583 -6.7583 -1.2748 -1.2748 -0.8797 -0.8797 -0.7600 -0.7600 2.4991 2.4991 2.9945 2.9945 3.2056 3.2056 3.2120 3.2120 3.8472 3.8472 3.9100 3.9100 3.9165 3.9165 5.4445 5.4445 5.4899 5.4899 5.9587 5.9587 6.1838 6.1838 6.1987 6.1987 6.5080 6.5080 6.5179 6.5179 8.3132 8.3132 12.4886 12.4886 13.1190 13.1190 13.7339 13.7339 14.1313 14.1313 k = 0.1081 0.0579 0.0399 ( 3318 PWs) bands (ev): -14.3173 -14.3173 -11.4389 -11.4389 -11.1895 -11.1895 -11.1136 -11.1136 -9.9854 -9.9854 -9.9818 -9.9818 -6.8158 -6.8158 -1.2951 -1.2951 -0.9096 -0.9096 -0.6901 -0.6901 2.4316 2.4316 2.9841 2.9841 3.2095 3.2095 3.2113 3.2113 3.8463 3.8463 3.9488 3.9488 3.9497 3.9497 5.4450 5.4450 5.4940 5.4940 6.0185 6.0185 6.1880 6.1880 6.2025 6.2025 6.5075 6.5075 6.5178 6.5178 8.2651 8.2651 12.5108 12.5108 13.1147 13.1147 13.6868 13.6868 14.0776 14.0776 k = 0.0946 0.0507 0.0349 ( 3318 PWs) bands (ev): -14.3306 -14.3306 -11.4031 -11.4031 -11.1930 -11.1930 -11.1199 -11.1199 -9.9741 -9.9741 -9.9715 -9.9715 -6.8676 -6.8676 -1.3157 -1.3157 -0.9361 -0.9361 -0.6224 -0.6224 2.3683 2.3683 2.9751 2.9751 3.2084 3.2084 3.2100 3.2100 3.8405 3.8405 3.9868 3.9868 3.9883 3.9883 5.4446 5.4446 5.4972 5.4972 6.0739 6.0739 6.1925 6.1925 6.2063 6.2063 6.5061 6.5061 6.5168 6.5168 8.2203 8.2203 12.5231 12.5231 13.1226 13.1226 13.6451 13.6451 14.0256 14.0256 k = 0.0811 0.0435 0.0299 ( 3318 PWs) bands (ev): -14.3421 -14.3421 -11.3726 -11.3726 -11.1946 -11.1946 -11.1254 -11.1254 -9.9642 -9.9642 -9.9625 -9.9625 -6.9134 -6.9134 -1.3351 -1.3351 -0.9591 -0.9591 -0.5593 -0.5593 2.3102 2.3102 2.9673 2.9673 3.2043 3.2043 3.2085 3.2085 3.8339 3.8339 4.0244 4.0244 4.0246 4.0246 5.4437 5.4437 5.4997 5.4997 6.1237 6.1237 6.1972 6.1972 6.2101 6.2101 6.5039 6.5039 6.5152 6.5152 8.1793 8.1793 12.5273 12.5273 13.1404 13.1404 13.6086 13.6086 13.9758 13.9758 k = 0.0676 0.0362 0.0249 ( 3330 PWs) bands (ev): -14.3519 -14.3519 -11.3479 -11.3479 -11.1943 -11.1943 -11.1301 -11.1301 -9.9558 -9.9558 -9.9548 -9.9548 -6.9527 -6.9527 -1.3523 -1.3523 -0.9786 -0.9786 -0.5027 -0.5027 2.2585 2.2585 2.9608 2.9608 3.1998 3.1998 3.2059 3.2059 3.8276 3.8276 4.0567 4.0567 4.0596 4.0596 5.4423 5.4423 5.5015 5.5015 6.1663 6.1663 6.2031 6.2031 6.2136 6.2136 6.5014 6.5014 6.5131 6.5131 8.1429 8.1429 12.5259 12.5259 13.1649 13.1649 13.5776 13.5776 13.9290 13.9290 k = 0.0541 0.0290 0.0200 ( 3330 PWs) bands (ev): -14.3598 -14.3598 -11.3290 -11.3290 -11.1922 -11.1922 -11.1339 -11.1339 -9.9488 -9.9488 -9.9485 -9.9485 -6.9854 -6.9854 -1.3668 -1.3668 -0.9947 -0.9947 -0.4541 -0.4541 2.2142 2.2142 2.9555 2.9555 3.1955 3.1955 3.2030 3.2030 3.8222 3.8222 4.0843 4.0843 4.0900 4.0900 5.4408 5.4408 5.5028 5.5028 6.1937 6.1937 6.2168 6.2168 6.2172 6.2172 6.4987 6.4987 6.5109 6.5109 8.1117 8.1117 12.5215 12.5215 13.1926 13.1926 13.5522 13.5522 13.8862 13.8862 k = 0.0405 0.0217 0.0150 ( 3330 PWs) bands (ev): -14.3661 -14.3661 -11.3157 -11.3157 -11.1890 -11.1890 -11.1369 -11.1369 -9.9435 -9.9435 -9.9434 -9.9434 -7.0111 -7.0111 -1.3783 -1.3783 -1.0072 -1.0072 -0.4148 -0.4148 2.1784 2.1784 2.9514 2.9514 3.1918 3.1918 3.2002 3.2002 3.8178 3.8178 4.1065 4.1065 4.1148 4.1148 5.4394 5.4394 5.5037 5.5037 6.2020 6.2020 6.2195 6.2195 6.2424 6.2424 6.4962 6.4962 6.5088 6.5088 8.0865 8.0865 12.5162 12.5162 13.2198 13.2198 13.5323 13.5323 13.8491 13.8491 k = 0.0270 0.0145 0.0100 ( 3333 PWs) bands (ev): -14.3705 -14.3705 -11.3071 -11.3071 -11.1855 -11.1855 -11.1390 -11.1390 -9.9400 -9.9400 -9.9395 -9.9395 -7.0296 -7.0296 -1.3867 -1.3867 -1.0161 -1.0161 -0.3858 -0.3858 2.1520 2.1520 2.9485 2.9485 3.1889 3.1889 3.1981 3.1981 3.8147 3.8147 4.1227 4.1227 4.1331 4.1331 5.4382 5.4382 5.5043 5.5043 6.2054 6.2054 6.2216 6.2216 6.2636 6.2636 6.4941 6.4941 6.5071 6.5071 8.0680 8.0680 12.5114 12.5114 13.2430 13.2430 13.5181 13.5181 13.8198 13.8198 k = 0.0135 0.0072 0.0050 ( 3332 PWs) bands (ev): -14.3732 -14.3732 -11.3025 -11.3025 -11.1829 -11.1829 -11.1403 -11.1403 -9.9379 -9.9379 -9.9372 -9.9372 -7.0408 -7.0408 -1.3917 -1.3917 -1.0215 -1.0215 -0.3681 -0.3681 2.1358 2.1358 2.9467 2.9467 3.1872 3.1872 3.1967 3.1967 3.8127 3.8127 4.1326 4.1326 4.1443 4.1443 5.4374 5.4374 5.5046 5.5046 6.2072 6.2072 6.2229 6.2229 6.2769 6.2769 6.4928 6.4928 6.5060 6.5060 8.0566 8.0566 12.5082 12.5082 13.2587 13.2587 13.5095 13.5095 13.8008 13.8008 k = 0.0000 0.0000 0.0000 ( 3329 PWs) bands (ev): -14.3740 -14.3740 -11.3010 -11.3010 -11.1819 -11.1819 -11.1407 -11.1407 -9.9372 -9.9372 -9.9364 -9.9364 -7.0446 -7.0446 -1.3934 -1.3934 -1.0233 -1.0233 -0.3621 -0.3621 2.1303 2.1303 2.9462 2.9462 3.1866 3.1866 3.1962 3.1962 3.8121 3.8121 4.1360 4.1360 4.1481 4.1481 5.4371 5.4371 5.5047 5.5047 6.2078 6.2078 6.2233 6.2233 6.2814 6.2814 6.4924 6.4924 6.5056 6.5056 8.0528 8.0528 12.5071 12.5071 13.2643 13.2643 13.5067 13.5067 13.7942 13.7942 k = 0.0000 0.0000 0.0000 ( 3329 PWs) bands (ev): -14.3740 -14.3740 -11.3010 -11.3010 -11.1819 -11.1819 -11.1407 -11.1407 -9.9372 -9.9372 -9.9364 -9.9364 -7.0446 -7.0446 -1.3934 -1.3934 -1.0233 -1.0233 -0.3621 -0.3621 2.1303 2.1303 2.9462 2.9462 3.1866 3.1866 3.1962 3.1962 3.8121 3.8121 4.1360 4.1360 4.1481 4.1481 5.4371 5.4371 5.5047 5.5047 6.2078 6.2078 6.2233 6.2233 6.2814 6.2814 6.4924 6.4924 6.5056 6.5056 8.0528 8.0528 12.5071 12.5071 13.2643 13.2643 13.5067 13.5067 13.7942 13.7942 k = 0.0077-0.0051-0.0134 ( 3331 PWs) bands (ev): -14.3732 -14.3732 -11.3011 -11.3011 -11.1824 -11.1824 -11.1418 -11.1418 -9.9380 -9.9380 -9.9370 -9.9370 -7.0418 -7.0418 -1.3942 -1.3942 -1.0245 -1.0245 -0.3614 -0.3614 2.1346 2.1346 2.9472 2.9472 3.1849 3.1849 3.1960 3.1960 3.8137 3.8137 4.1348 4.1348 4.1471 4.1471 5.4368 5.4368 5.5042 5.5042 6.2058 6.2058 6.2212 6.2212 6.2811 6.2811 6.4926 6.4926 6.5058 6.5058 8.0557 8.0557 12.5065 12.5065 13.2640 13.2640 13.4928 13.4928 13.8126 13.8126 k = 0.0154-0.0102-0.0268 ( 3329 PWs) bands (ev): -14.3707 -14.3707 -11.3015 -11.3015 -11.1838 -11.1838 -11.1447 -11.1447 -9.9409 -9.9409 -9.9382 -9.9382 -7.0334 -7.0334 -1.3966 -1.3966 -1.0279 -1.0279 -0.3593 -0.3593 2.1472 2.1472 2.9503 2.9503 3.1757 3.1757 3.1996 3.1996 3.8178 3.8178 4.1308 4.1308 4.1452 4.1452 5.4356 5.4356 5.5030 5.5030 6.1992 6.1992 6.2153 6.2153 6.2803 6.2803 6.4930 6.4930 6.5064 6.5064 8.0643 8.0643 12.5044 12.5044 13.2623 13.2623 13.4607 13.4607 13.8593 13.8593 k = 0.0230-0.0153-0.0402 ( 3327 PWs) bands (ev): -14.3665 -14.3665 -11.3026 -11.3026 -11.1866 -11.1866 -11.1488 -11.1488 -9.9459 -9.9459 -9.9402 -9.9402 -7.0195 -7.0195 -1.4011 -1.4011 -1.0331 -1.0331 -0.3557 -0.3557 2.1680 2.1680 2.9554 2.9554 3.1588 3.1588 3.2081 3.2081 3.8227 3.8227 4.1228 4.1228 4.1446 4.1446 5.4328 5.4328 5.5017 5.5017 6.1875 6.1875 6.2068 6.2068 6.2792 6.2792 6.4927 6.4927 6.5081 6.5081 8.0785 8.0785 12.5005 12.5005 13.2567 13.2567 13.4261 13.4261 13.9215 13.9215 k = 0.0307-0.0204-0.0536 ( 3325 PWs) bands (ev): -14.3607 -14.3607 -11.3048 -11.3048 -11.1914 -11.1914 -11.1528 -11.1528 -9.9530 -9.9530 -9.9429 -9.9429 -7.0001 -7.0001 -1.4085 -1.4085 -1.0390 -1.0390 -0.3506 -0.3506 2.1967 2.1967 2.9625 2.9625 3.1360 3.1360 3.2204 3.2204 3.8256 3.8256 4.1105 4.1105 4.1474 4.1474 5.4274 5.4274 5.5013 5.5013 6.1703 6.1703 6.1965 6.1965 6.2779 6.2779 6.4909 6.4909 6.5110 6.5110 8.0978 8.0978 12.4936 12.4936 13.2428 13.2428 13.4015 13.4015 13.9921 13.9921 k = 0.0384-0.0255-0.0669 ( 3321 PWs) bands (ev): -14.3532 -14.3532 -11.3091 -11.3091 -11.1984 -11.1984 -11.1554 -11.1554 -9.9620 -9.9620 -9.9463 -9.9463 -6.9755 -6.9755 -1.4195 -1.4195 -1.0447 -1.0447 -0.3437 -0.3437 2.2327 2.2327 2.9716 2.9716 3.1087 3.1087 3.2365 3.2365 3.8237 3.8237 4.0942 4.0942 4.1555 4.1555 5.4183 5.4183 5.5026 5.5026 6.1486 6.1486 6.1844 6.1844 6.2765 6.2765 6.4876 6.4876 6.5151 6.5151 8.1218 8.1218 12.4826 12.4826 13.2189 13.2189 13.3932 13.3932 14.0674 14.0674 k = 0.0461-0.0306-0.0803 ( 3315 PWs) bands (ev): -14.3441 -14.3441 -11.3166 -11.3166 -11.2069 -11.2069 -11.1561 -11.1561 -9.9729 -9.9729 -9.9505 -9.9505 -6.9457 -6.9457 -1.4350 -1.4350 -1.0490 -1.0490 -0.3350 -0.3350 2.2755 2.2755 2.9826 2.9826 3.0779 3.0779 3.2560 3.2560 3.8145 3.8145 4.0743 4.0743 4.1703 4.1703 5.4051 5.4051 5.5061 5.5061 6.1233 6.1233 6.1705 6.1705 6.2753 6.2753 6.4828 6.4828 6.5199 6.5199 8.1500 8.1500 12.4663 12.4663 13.1895 13.1895 13.3997 13.3997 14.1458 14.1458 k = 0.0538-0.0357-0.0937 ( 3317 PWs) bands (ev): -14.3333 -14.3333 -11.3287 -11.3287 -11.2155 -11.2155 -11.1547 -11.1547 -9.9857 -9.9857 -9.9555 -9.9555 -6.9109 -6.9109 -1.4559 -1.4559 -1.0508 -1.0508 -0.3243 -0.3243 2.3244 2.3244 2.9951 2.9951 3.0448 3.0448 3.2790 3.2790 3.7970 3.7970 4.0511 4.0511 4.1922 4.1922 5.3877 5.3877 5.5116 5.5116 6.0952 6.0952 6.1548 6.1548 6.2741 6.2741 6.4767 6.4767 6.5251 6.5251 8.1818 8.1818 12.4433 12.4433 13.1606 13.1606 13.4169 13.4169 14.2263 14.2263 k = 0.0614-0.0409-0.1071 ( 3316 PWs) bands (ev): -14.3209 -14.3209 -11.3462 -11.3462 -11.2230 -11.2230 -11.1513 -11.1513 -10.0003 -10.0003 -9.9612 -9.9612 -6.8713 -6.8713 -1.4826 -1.4826 -1.0494 -1.0494 -0.3113 -0.3113 2.3787 2.3787 3.0030 3.0030 3.0161 3.0161 3.3053 3.3053 3.7713 3.7713 4.0247 4.0247 4.2205 4.2205 5.3663 5.3663 5.5189 5.5189 6.0650 6.0650 6.1375 6.1375 6.2729 6.2729 6.4693 6.4693 6.5303 6.5303 8.2166 8.2166 12.4128 12.4128 13.1362 13.1362 13.4422 13.4422 14.3083 14.3083 k = 0.0691-0.0460-0.1205 ( 3320 PWs) bands (ev): -14.3068 -14.3068 -11.3693 -11.3693 -11.2292 -11.2292 -11.1459 -11.1459 -10.0168 -10.0168 -9.9677 -9.9677 -6.8272 -6.8272 -1.5150 -1.5150 -1.0446 -1.0446 -0.2960 -0.2960 2.4374 2.4374 2.9709 2.9709 3.0278 3.0278 3.3348 3.3348 3.7383 3.7383 3.9954 3.9954 4.2541 4.2541 5.3414 5.3414 5.5275 5.5275 6.0333 6.0333 6.1187 6.1187 6.2717 6.2717 6.4609 6.4609 6.5353 6.5353 8.2539 8.2539 12.3744 12.3744 13.1180 13.1180 13.4743 13.4743 14.3913 14.3913 k = 0.0768-0.0511-0.1339 ( 3318 PWs) bands (ev): -14.2911 -14.2911 -11.3974 -11.3974 -11.2344 -11.2344 -11.1384 -11.1384 -10.0349 -10.0349 -9.9749 -9.9749 -6.7786 -6.7786 -1.5529 -1.5529 -1.0363 -1.0363 -0.2781 -0.2781 2.4994 2.4994 2.9339 2.9339 3.0454 3.0454 3.3674 3.3674 3.6994 3.6994 3.9635 3.9635 4.2917 4.2917 5.3132 5.3132 5.5373 5.5373 6.0005 6.0005 6.0987 6.0987 6.2706 6.2706 6.4517 6.4517 6.5400 6.5400 8.2931 8.2931 12.3285 12.3285 13.1064 13.1064 13.5126 13.5126 14.4753 14.4753 k = 0.0845-0.0562-0.1473 ( 3324 PWs) bands (ev): -14.2738 -14.2738 -11.4298 -11.4298 -11.2391 -11.2391 -11.1289 -11.1289 -10.0547 -10.0547 -9.9830 -9.9830 -6.7259 -6.7259 -1.5958 -1.5958 -1.0249 -1.0249 -0.2575 -0.2575 2.5629 2.5629 2.8973 2.8973 3.0647 3.0647 3.4029 3.4029 3.6558 3.6558 3.9292 3.9292 4.3320 4.3320 5.2820 5.2820 5.5479 5.5479 5.9670 5.9670 6.0776 6.0776 6.2693 6.2693 6.4419 6.4419 6.5443 6.5443 8.3338 8.3338 12.2759 12.2759 13.1010 13.1010 13.5567 13.5567 14.5597 14.5597 k = 0.0922-0.0613-0.1607 ( 3322 PWs) bands (ev): -14.2549 -14.2549 -11.4656 -11.4656 -11.2437 -11.2437 -11.1175 -11.1175 -10.0760 -10.0760 -9.9918 -9.9918 -6.6692 -6.6692 -1.6429 -1.6429 -1.0109 -1.0109 -0.2339 -0.2339 2.6242 2.6242 2.8641 2.8641 3.0854 3.0854 3.4410 3.4410 3.6088 3.6088 3.8929 3.8929 4.3742 4.3742 5.2483 5.2483 5.5591 5.5591 5.9332 5.9332 6.0555 6.0555 6.2680 6.2680 6.4315 6.4315 6.5479 6.5479 8.3755 8.3755 12.2176 12.2176 13.1010 13.1010 13.6063 13.6063 14.6445 14.6445 k = 0.0998-0.0664-0.1740 ( 3324 PWs) bands (ev): -14.2344 -14.2344 -11.5044 -11.5044 -11.2486 -11.2486 -11.1042 -11.1042 -10.0989 -10.0989 -10.0013 -10.0013 -6.6089 -6.6089 -1.6936 -1.6936 -0.9948 -0.9948 -0.2073 -0.2073 2.6731 2.6731 2.8435 2.8435 3.1070 3.1070 3.4809 3.4809 3.5601 3.5601 3.8551 3.8551 4.4175 4.4175 5.2125 5.2125 5.5709 5.5709 5.8993 5.8993 6.0325 6.0325 6.2666 6.2666 6.4209 6.4209 6.5509 6.5509 8.4178 8.4178 12.1547 12.1547 13.1055 13.1055 13.6610 13.6610 14.7295 14.7295 k = 0.1075-0.0715-0.1874 ( 3326 PWs) bands (ev): -14.2123 -14.2123 -11.5456 -11.5456 -11.2538 -11.2538 -11.0891 -11.0891 -10.1231 -10.1231 -10.0116 -10.0116 -6.5450 -6.5450 -1.7473 -1.7473 -0.9770 -0.9770 -0.1774 -0.1774 2.6872 2.6872 2.8570 2.8570 3.1293 3.1293 3.5022 3.5022 3.5311 3.5311 3.8165 3.8165 4.4612 4.4612 5.1750 5.1750 5.5830 5.5830 5.8655 5.8655 6.0087 6.0087 6.2650 6.2650 6.4101 6.4101 6.5532 6.5532 8.4604 8.4604 12.0881 12.0881 13.1137 13.1137 13.7205 13.7205 14.8144 14.8144 k = 0.1152-0.0766-0.2008 ( 3328 PWs) bands (ev): -14.1887 -14.1887 -11.5888 -11.5888 -11.2595 -11.2595 -11.0725 -11.0725 -10.1487 -10.1487 -10.0227 -10.0227 -6.4778 -6.4778 -1.8034 -1.8034 -0.9580 -0.9580 -0.1441 -0.1441 2.6637 2.6637 2.9056 2.9056 3.1518 3.1518 3.4566 3.4566 3.5705 3.5705 3.7784 3.7784 4.5047 4.5047 5.1363 5.1363 5.5953 5.5953 5.8322 5.8322 5.9843 5.9843 6.2632 6.2632 6.3993 6.3993 6.5547 6.5547 8.5031 8.5031 12.0189 12.0189 13.1249 13.1249 13.7843 13.7843 14.8989 14.8989 k = 0.1229-0.0817-0.2142 ( 3326 PWs) bands (ev): -14.1635 -14.1635 -11.6339 -11.6339 -11.2655 -11.2655 -11.0543 -11.0543 -10.1755 -10.1755 -10.0346 -10.0346 -6.4074 -6.4074 -1.8614 -1.8614 -0.9381 -0.9381 -0.1074 -0.1074 2.6228 2.6228 2.9670 2.9670 3.1737 3.1737 3.4095 3.4095 3.6121 3.6121 3.7445 3.7445 4.5475 4.5475 5.0969 5.0969 5.6078 5.6078 5.7995 5.7995 5.9594 5.9594 6.2613 6.2613 6.3885 6.3885 6.5553 6.5553 8.5455 8.5455 11.9475 11.9475 13.1388 13.1388 13.8520 13.8520 14.9829 14.9829 k = 0.1306-0.0868-0.2276 ( 3328 PWs) bands (ev): -14.1368 -14.1368 -11.6803 -11.6803 -11.2720 -11.2720 -11.0347 -11.0347 -10.2035 -10.2035 -10.0472 -10.0472 -6.3342 -6.3342 -1.9210 -1.9210 -0.9177 -0.9177 -0.0672 -0.0672 2.5739 2.5739 3.0282 3.0282 3.1939 3.1939 3.3677 3.3677 3.6396 3.6396 3.7284 3.7284 4.5890 4.5890 5.0576 5.0576 5.6204 5.6204 5.7678 5.7678 5.9339 5.9339 6.2592 6.2592 6.3779 6.3779 6.5551 6.5551 8.5875 8.5875 11.8748 11.8748 13.1549 13.1549 13.9233 13.9233 15.0660 15.0660 k = 0.1382-0.0919-0.2410 ( 3336 PWs) bands (ev): -14.1086 -14.1086 -11.7280 -11.7280 -11.2789 -11.2789 -11.0139 -11.0139 -10.2325 -10.2325 -10.0606 -10.0606 -6.2581 -6.2581 -1.9818 -1.9818 -0.8969 -0.8969 -0.0235 -0.0235 2.5196 2.5196 3.0796 3.0796 3.2109 3.2109 3.3378 3.3378 3.6320 3.6320 3.7524 3.7524 4.6288 4.6288 5.0188 5.0188 5.6329 5.6329 5.7374 5.7374 5.9080 5.9080 6.2568 6.2568 6.3673 6.3673 6.5540 6.5540 8.6290 8.6290 11.8010 11.8010 13.1729 13.1729 13.9975 13.9975 15.1477 15.1477 k = 0.1459-0.0970-0.2544 ( 3338 PWs) bands (ev): -14.0789 -14.0789 -11.7767 -11.7767 -11.2862 -11.2862 -10.9917 -10.9917 -10.2624 -10.2624 -10.0748 -10.0748 -6.1795 -6.1795 -2.0435 -2.0435 -0.8760 -0.8760 0.0238 0.0238 2.4607 2.4607 3.1085 3.1085 3.2224 3.2224 3.3309 3.3309 3.6099 3.6099 3.7988 3.7988 4.6663 4.6663 4.9815 4.9815 5.6453 5.6453 5.7087 5.7087 5.8817 5.8817 6.2542 6.2542 6.3570 6.3570 6.5520 6.5520 8.6699 8.6699 11.7267 11.7267 13.1926 13.1926 14.0744 14.0744 15.2275 15.2275 k = 0.1536-0.1021-0.2678 ( 3338 PWs) bands (ev): -14.0477 -14.0477 -11.8261 -11.8261 -11.2938 -11.2938 -10.9685 -10.9685 -10.2933 -10.2933 -10.0897 -10.0897 -6.0984 -6.0984 -2.1057 -2.1057 -0.8551 -0.8551 0.0744 0.0744 2.3976 2.3976 3.1077 3.1077 3.2239 3.2239 3.3542 3.3542 3.5920 3.5920 3.8518 3.8518 4.7010 4.7010 4.9464 4.9464 5.6575 5.6575 5.6821 5.6821 5.8552 5.8552 6.2513 6.2513 6.3468 6.3468 6.5492 6.5492 8.7103 8.7103 11.6521 11.6521 13.2139 13.2139 14.1534 14.1534 15.3047 15.3047 k = 0.1613-0.1072-0.2811 ( 3342 PWs) bands (ev): -14.0151 -14.0151 -11.8761 -11.8761 -11.3018 -11.3018 -10.9441 -10.9441 -10.3249 -10.3249 -10.1054 -10.1054 -6.0151 -6.0151 -2.1684 -2.1684 -0.8342 -0.8342 0.1285 0.1285 2.3303 2.3303 3.0874 3.0874 3.2119 3.2119 3.3973 3.3973 3.5850 3.5850 3.9078 3.9078 4.7322 4.7322 4.9146 4.9146 5.6578 5.6578 5.6698 5.6698 5.8285 5.8285 6.2482 6.2482 6.3369 6.3369 6.5453 6.5453 8.7501 8.7501 11.5776 11.5776 13.2365 13.2365 14.2343 14.2343 15.3784 15.3784 k = 0.1690-0.1123-0.2945 ( 3332 PWs) bands (ev): -13.9810 -13.9810 -11.9266 -11.9266 -11.3100 -11.3100 -10.9187 -10.9187 -10.3572 -10.3572 -10.1218 -10.1218 -5.9295 -5.9295 -2.2313 -2.2313 -0.8135 -0.8135 0.1857 0.1857 2.2590 2.2590 3.0597 3.0597 3.1862 3.1862 3.4463 3.4463 3.5906 3.5906 3.9656 3.9656 4.7592 4.7592 4.8869 4.8869 5.6371 5.6371 5.6813 5.6813 5.8018 5.8018 6.2448 6.2448 6.3271 6.3271 6.5406 6.5406 8.7895 8.7895 11.5034 11.5034 13.2603 13.2603 14.3166 14.3166 15.4474 15.4474 k = 0.1766-0.1174-0.3079 ( 3338 PWs) bands (ev): -13.9456 -13.9456 -11.9773 -11.9773 -11.3185 -11.3185 -10.8924 -10.8924 -10.3900 -10.3900 -10.1390 -10.1390 -5.8419 -5.8419 -2.2943 -2.2943 -0.7929 -0.7929 0.2460 0.2460 2.1841 2.1841 3.0301 3.0301 3.1490 3.1490 3.4940 3.4940 3.6077 3.6077 4.0245 4.0245 4.7811 4.7811 4.8648 4.8648 5.6200 5.6200 5.6922 5.6922 5.7754 5.7754 6.2411 6.2411 6.3174 6.3174 6.5350 6.5350 8.8284 8.8284 11.4297 11.4297 13.2852 13.2852 14.4000 14.4000 15.5100 15.5100 k = 0.1843-0.1226-0.3213 ( 3340 PWs) bands (ev): -13.9088 -13.9088 -12.0281 -12.0281 -11.3273 -11.3273 -10.8653 -10.8653 -10.4234 -10.4234 -10.1569 -10.1569 -5.7524 -5.7524 -2.3571 -2.3571 -0.7725 -0.7725 0.3093 0.3093 2.1057 2.1057 3.0006 3.0006 3.1037 3.1037 3.5367 3.5367 3.6335 3.6335 4.0843 4.0843 4.7968 4.7968 4.8499 4.8499 5.6071 5.6071 5.7015 5.7015 5.7501 5.7501 6.2371 6.2371 6.3079 6.3079 6.5284 6.5284 8.8672 8.8672 11.3568 11.3568 13.3109 13.3109 14.4840 14.4840 15.5642 15.5642 k = 0.1920-0.1277-0.3347 ( 3328 PWs) bands (ev): -13.8706 -13.8706 -12.0789 -12.0789 -11.3362 -11.3362 -10.8373 -10.8373 -10.4571 -10.4571 -10.1756 -10.1756 -5.6610 -5.6610 -2.4198 -2.4198 -0.7523 -0.7523 0.3752 0.3752 2.0244 2.0244 2.9702 2.9702 3.0546 3.0546 3.5724 3.5724 3.6654 3.6654 4.1445 4.1445 4.8046 4.8046 4.8441 4.8441 5.5988 5.5988 5.7036 5.7036 5.7317 5.7317 6.2328 6.2328 6.2985 6.2985 6.5210 6.5210 8.9060 8.9060 11.2849 11.2849 13.3374 13.3374 14.5685 14.5685 15.6077 15.6077 k = 0.1997-0.1328-0.3481 ( 3336 PWs) bands (ev): -13.8312 -13.8312 -12.1295 -12.1295 -11.3454 -11.3454 -10.8086 -10.8086 -10.4912 -10.4912 -10.1950 -10.1950 -5.5678 -5.5678 -2.4821 -2.4821 -0.7321 -0.7321 0.4437 0.4437 1.9406 1.9406 2.9345 2.9345 3.0084 3.0084 3.5998 3.5998 3.7015 3.7015 4.2050 4.2050 4.8059 4.8059 4.8463 4.8463 5.5954 5.5954 5.6863 5.6863 5.7323 5.7323 6.2282 6.2282 6.2891 6.2891 6.5128 6.5128 8.9450 8.9450 11.2141 11.2141 13.3643 13.3643 14.6530 14.6530 15.6380 15.6380 k = 0.2074-0.1379-0.3615 ( 3336 PWs) bands (ev): -13.7905 -13.7905 -12.1799 -12.1799 -11.3548 -11.3548 -10.7793 -10.7793 -10.5255 -10.5255 -10.2151 -10.2151 -5.4731 -5.4731 -2.5440 -2.5440 -0.7121 -0.7121 0.5146 0.5146 1.8547 1.8547 2.8867 2.8867 2.9732 2.9732 3.6183 3.6183 3.7409 3.7409 4.2655 4.2655 4.8046 4.8046 4.8530 4.8530 5.5968 5.5968 5.6614 5.6614 5.7402 5.7402 6.2233 6.2233 6.2797 6.2797 6.5037 6.5037 8.9845 8.9845 11.1446 11.1446 13.3916 13.3916 14.7372 14.7372 15.6530 15.6530 k = 0.2150-0.1430-0.3749 ( 3334 PWs) bands (ev): -13.7485 -13.7485 -12.2300 -12.2300 -11.3643 -11.3643 -10.7494 -10.7494 -10.5599 -10.5599 -10.2359 -10.2359 -5.3767 -5.3767 -2.6055 -2.6055 -0.6922 -0.6922 0.5875 0.5875 1.7671 1.7671 2.8269 2.8269 2.9495 2.9495 3.6274 3.6274 3.7830 3.7830 4.3257 4.3257 4.8007 4.8007 4.8638 4.8638 5.6027 5.6027 5.6355 5.6355 5.7489 5.7489 6.2182 6.2182 6.2703 6.2703 6.4938 6.4938 9.0248 9.0248 11.0765 11.0765 13.4190 13.4190 14.8207 14.8207 15.6521 15.6521 k = 0.2227-0.1481-0.3883 ( 3336 PWs) bands (ev): -13.7053 -13.7053 -12.2795 -12.2795 -11.3739 -11.3739 -10.7191 -10.7191 -10.5944 -10.5944 -10.2573 -10.2573 -5.2789 -5.2789 -2.6663 -2.6663 -0.6724 -0.6724 0.6624 0.6624 1.6783 1.6783 2.7601 2.7601 2.9329 2.9329 3.6277 3.6277 3.8271 3.8271 4.3852 4.3852 4.7926 4.7926 4.8800 4.8800 5.6061 5.6061 5.6161 5.6161 5.7575 5.7575 6.2129 6.2129 6.2609 6.2609 6.4831 6.4831 9.0661 9.0661 11.0101 11.0101 13.4463 13.4463 14.9032 14.9032 15.6361 15.6361 k = 0.2304-0.1532-0.4016 ( 3334 PWs) bands (ev): -13.6610 -13.6610 -12.3286 -12.3286 -11.3836 -11.3836 -10.6885 -10.6885 -10.6288 -10.6288 -10.2793 -10.2793 -5.1796 -5.1796 -2.7266 -2.7266 -0.6527 -0.6527 0.7390 0.7390 1.5886 1.5886 2.6890 2.6890 2.9209 2.9209 3.6200 3.6200 3.8728 3.8728 4.4440 4.4440 4.7798 4.7798 4.9017 4.9017 5.5818 5.5818 5.6281 5.6281 5.7657 5.7657 6.2074 6.2074 6.2513 6.2513 6.4717 6.4717 9.1087 9.1087 10.9455 10.9455 13.4734 13.4734 14.9840 14.9840 15.6075 15.6075 k = 0.2381-0.1583-0.4150 ( 3336 PWs) bands (ev): -13.6155 -13.6155 -12.3769 -12.3769 -11.3934 -11.3934 -10.6643 -10.6643 -10.6564 -10.6564 -10.3018 -10.3018 -5.0790 -5.0790 -2.7861 -2.7861 -0.6330 -0.6330 0.8171 0.8171 1.4985 1.4985 2.6150 2.6150 2.9122 2.9122 3.6054 3.6054 3.9199 3.9199 4.5016 4.5016 4.7628 4.7628 4.9276 4.9276 5.5560 5.5560 5.6451 5.6451 5.7732 5.7732 6.2018 6.2018 6.2416 6.2416 6.4597 6.4597 9.1529 9.1529 10.8828 10.8828 13.4999 13.4999 15.0624 15.0624 15.5694 15.5694 k = 0.2458-0.1634-0.4284 ( 3336 PWs) bands (ev): -13.5689 -13.5689 -12.4246 -12.4246 -11.4032 -11.4032 -10.6975 -10.6975 -10.6267 -10.6267 -10.3246 -10.3246 -4.9771 -4.9771 -2.8449 -2.8449 -0.6134 -0.6134 0.8963 0.8963 1.4082 1.4082 2.5388 2.5388 2.9064 2.9064 3.5852 3.5852 3.9679 3.9679 4.5577 4.5577 4.7423 4.7423 4.9563 4.9563 5.5304 5.5304 5.6646 5.6646 5.7800 5.7800 6.1962 6.1962 6.2316 6.2316 6.4471 6.4471 9.1992 9.1992 10.8221 10.8221 13.5256 13.5256 15.1369 15.1369 15.5256 15.5256 k = 0.2534-0.1685-0.4418 ( 3342 PWs) bands (ev): -13.5213 -13.5213 -12.4714 -12.4714 -11.4131 -11.4131 -10.7314 -10.7314 -10.5965 -10.5965 -10.3475 -10.3475 -4.8739 -4.8739 -2.9029 -2.9029 -0.5939 -0.5939 0.9763 0.9763 1.3181 1.3181 2.4608 2.4608 2.9031 2.9031 3.5605 3.5605 4.0167 4.0167 4.6121 4.6121 4.7193 4.7193 4.9863 4.9863 5.5052 5.5052 5.6858 5.6858 5.7860 5.7860 6.1906 6.1906 6.2215 6.2215 6.4339 6.4339 9.2476 9.2476 10.7635 10.7635 13.5504 13.5504 15.2044 15.2044 15.4811 15.4811 k = 0.2611-0.1736-0.4552 ( 3346 PWs) bands (ev): -13.4727 -13.4727 -12.5174 -12.5174 -11.4229 -11.4229 -10.7649 -10.7649 -10.5675 -10.5675 -10.3696 -10.3696 -4.7695 -4.7695 -2.9601 -2.9601 -0.5745 -0.5745 1.0567 1.0567 1.2285 1.2285 2.3816 2.3816 2.9020 2.9020 3.5324 3.5324 4.0658 4.0658 4.6639 4.6639 4.6948 4.6948 5.0166 5.0166 5.4806 5.4806 5.7083 5.7083 5.7911 5.7911 6.1851 6.1851 6.2111 6.2111 6.4201 6.4201 9.2986 9.2986 10.7073 10.7073 13.5740 13.5740 15.2560 15.2560 15.4459 15.4459 k = 0.2688-0.1787-0.4686 ( 3344 PWs) bands (ev): -13.4231 -13.4231 -12.5624 -12.5624 -11.4327 -11.4327 -10.7981 -10.7981 -10.5414 -10.5414 -10.3895 -10.3895 -4.6640 -4.6640 -3.0163 -3.0163 -0.5551 -0.5551 1.1285 1.1285 1.1484 1.1484 2.3015 2.3015 2.9030 2.9030 3.5018 3.5018 4.1152 4.1152 4.6666 4.6666 4.7157 4.7157 5.0462 5.0462 5.4567 5.4567 5.7315 5.7315 5.7953 5.7953 6.1800 6.1800 6.2003 6.2003 6.4060 6.4060 9.3523 9.3523 10.6534 10.6534 13.5962 13.5962 15.2704 15.2704 15.4414 15.4414 k = 0.2765-0.1838-0.4820 ( 3344 PWs) bands (ev): -13.3726 -13.3726 -12.6064 -12.6064 -11.4425 -11.4425 -10.8308 -10.8308 -10.5220 -10.5220 -10.4034 -10.4034 -4.5575 -4.5575 -3.0716 -3.0716 -0.5359 -0.5359 1.0501 1.0501 1.2185 1.2185 2.2214 2.2214 2.9058 2.9058 3.4696 3.4696 4.1645 4.1645 4.6391 4.6391 4.7629 4.7629 5.0743 5.0743 5.4335 5.4335 5.7547 5.7547 5.7986 5.7986 6.1752 6.1752 6.1893 6.1893 6.3915 6.3915 9.4089 9.4089 10.6020 10.6020 13.6167 13.6167 15.2425 15.2425 15.4725 15.4725 k = 0.2842-0.1889-0.4954 ( 3342 PWs) bands (ev): -13.3212 -13.3212 -12.6494 -12.6494 -11.4522 -11.4522 -10.8630 -10.8630 -10.5162 -10.5162 -10.4044 -10.4044 -4.4498 -4.4498 -3.1259 -3.1259 -0.5169 -0.5169 0.9633 0.9633 1.2962 1.2962 2.1425 2.1425 2.9102 2.9102 3.4364 3.4364 4.2134 4.2134 4.6107 4.6107 4.8076 4.8076 5.1005 5.1005 5.4112 5.4112 5.7772 5.7772 5.8012 5.8012 6.1708 6.1708 6.1782 6.1782 6.3767 6.3767 9.4687 9.4687 10.5532 10.5532 13.6353 13.6353 15.1960 15.1960 15.5137 15.5137 k = 0.2918-0.1940-0.5087 ( 3340 PWs) bands (ev): -13.2690 -13.2690 -12.6913 -12.6913 -11.4618 -11.4618 -10.8946 -10.8946 -10.5266 -10.5266 -10.3902 -10.3902 -4.3412 -4.3412 -3.1791 -3.1791 -0.4982 -0.4982 0.8777 0.8777 1.3699 1.3699 2.0668 2.0668 2.9161 2.9161 3.4029 3.4029 4.2616 4.2616 4.5819 4.5819 4.8491 4.8491 5.1244 5.1244 5.3899 5.3899 5.7950 5.7950 5.8068 5.8068 6.1645 6.1645 6.1693 6.1693 6.3617 6.3617 9.5317 9.5317 10.5069 10.5069 13.6518 13.6518 15.1441 15.1441 15.5490 15.5490 k = 0.2995-0.1991-0.5221 ( 3342 PWs) bands (ev): -13.2161 -13.2161 -12.7320 -12.7320 -11.4713 -11.4713 -10.9255 -10.9255 -10.5472 -10.5472 -10.3666 -10.3666 -4.2317 -4.2317 -3.2312 -3.2312 -0.4797 -0.4797 0.7936 0.7936 1.4351 1.4351 1.9987 1.9987 2.9233 2.9233 3.3695 3.3695 4.3089 4.3089 4.5529 4.5529 4.8871 4.8871 5.1457 5.1457 5.3699 5.3699 5.7986 5.7986 5.8243 5.8243 6.1533 6.1533 6.1657 6.1657 6.3466 6.3466 9.5981 9.5981 10.4633 10.4633 13.6659 13.6659 15.0913 15.0913 15.5708 15.5708 k = 0.3072-0.2043-0.5355 ( 3342 PWs) bands (ev): -13.1625 -13.1625 -12.7715 -12.7715 -11.4807 -11.4807 -10.9558 -10.9558 -10.5730 -10.5730 -10.3389 -10.3389 -4.1212 -4.1212 -3.2821 -3.2821 -0.4615 -0.4615 0.7113 0.7113 1.4833 1.4833 1.9467 1.9467 2.9314 2.9314 3.3368 3.3368 4.3547 4.3547 4.5241 4.5241 4.9215 4.9215 5.1645 5.1645 5.3512 5.3512 5.7977 5.7977 5.8438 5.8438 6.1411 6.1411 6.1636 6.1636 6.3315 6.3315 9.6678 9.6678 10.4224 10.4224 13.6773 13.6773 15.0392 15.0392 15.5746 15.5746 k = 0.3149-0.2094-0.5489 ( 3344 PWs) bands (ev): -13.1082 -13.1082 -12.8098 -12.8098 -11.4899 -11.4899 -10.9852 -10.9852 -10.6016 -10.6016 -10.3096 -10.3096 -4.0099 -4.0099 -3.3318 -3.3318 -0.4438 -0.4438 0.6309 0.6309 1.5008 1.5008 1.9245 1.9245 2.9402 2.9402 3.3053 3.3053 4.3985 4.3985 4.4957 4.4957 4.9521 4.9521 5.1806 5.1806 5.3342 5.3342 5.7953 5.7953 5.8620 5.8620 6.1287 6.1287 6.1622 6.1622 6.3166 6.3166 9.7408 9.7408 10.3841 10.3841 13.6858 13.6858 14.9889 14.9889 15.5594 15.5594 k = 0.3226-0.2145-0.5623 ( 3346 PWs) bands (ev): -13.0534 -13.0534 -12.8468 -12.8468 -11.4989 -11.4989 -11.0139 -11.0139 -10.6319 -10.6319 -10.2797 -10.2797 -3.8979 -3.8979 -3.3802 -3.3802 -0.4266 -0.4266 0.5526 0.5526 1.4784 1.4784 1.9412 1.9412 2.9493 2.9493 3.2754 3.2754 4.4388 4.4388 4.4689 4.4689 4.9788 4.9788 5.1942 5.1942 5.3189 5.3189 5.7919 5.7919 5.8782 5.8782 6.1163 6.1163 6.1615 6.1615 6.3021 6.3021 9.8171 9.8171 10.3486 10.3486 13.6912 13.6912 14.9408 14.9408 15.5276 15.5276 k = 0.3302-0.2196-0.5757 ( 3342 PWs) bands (ev): -12.9981 -12.9981 -12.8824 -12.8824 -11.5077 -11.5077 -11.0418 -11.0418 -10.6637 -10.6637 -10.2497 -10.2497 -3.7850 -3.7850 -3.4272 -3.4272 -0.4100 -0.4100 0.4766 0.4766 1.4232 1.4232 1.9895 1.9895 2.9582 2.9582 3.2478 3.2478 4.4380 4.4380 4.4807 4.4807 5.0019 5.0019 5.2053 5.2053 5.3056 5.3056 5.7877 5.7877 5.8921 5.8921 6.1042 6.1042 6.1610 6.1610 6.2885 6.2885 9.8965 9.8965 10.3157 10.3157 13.6932 13.6932 14.8953 14.8953 15.4834 15.4834 k = 0.3379-0.2247-0.5891 ( 3342 PWs) bands (ev): -12.9423 -12.9423 -12.9167 -12.9167 -11.5163 -11.5163 -11.0687 -11.0687 -10.6965 -10.6965 -10.2200 -10.2200 -3.6715 -3.6715 -3.4729 -3.4729 -0.3941 -0.3941 0.4031 0.4031 1.3485 1.3485 2.0562 2.0562 2.9661 2.9661 3.2231 3.2231 4.4119 4.4119 4.5146 4.5146 5.0217 5.0217 5.2140 5.2140 5.2942 5.2942 5.7830 5.7830 5.9033 5.9033 6.0926 6.0926 6.1602 6.1602 6.2761 6.2761 9.9789 9.9789 10.2855 10.2855 13.6915 13.6915 14.8525 14.8525 15.4311 15.4311 k = 0.3456-0.2298-0.6025 ( 3338 PWs) bands (ev): -12.9496 -12.9496 -12.8862 -12.8862 -11.5246 -11.5246 -11.0947 -11.0947 -10.7304 -10.7304 -10.1907 -10.1907 -3.5573 -3.5573 -3.5170 -3.5170 -0.3792 -0.3792 0.3324 0.3324 1.2632 1.2632 2.1327 2.1327 2.9723 2.9723 3.2023 3.2023 4.3861 4.3861 4.5444 4.5444 5.0389 5.0389 5.2205 5.2205 5.2848 5.2848 5.7779 5.7779 5.9113 5.9113 6.0821 6.0821 6.1583 6.1583 6.2656 6.2656 10.0641 10.0641 10.2579 10.2579 13.6860 13.6860 14.8124 14.8124 15.3740 15.3740 k = 0.3533-0.2349-0.6159 ( 3346 PWs) bands (ev): -12.9811 -12.9811 -12.8298 -12.8298 -11.5327 -11.5327 -11.1197 -11.1197 -10.7651 -10.7651 -10.1620 -10.1620 -3.5596 -3.5596 -3.4425 -3.4425 -0.3654 -0.3654 0.2647 0.2647 1.1715 1.1715 2.2143 2.2143 2.9757 2.9757 3.1863 3.1863 4.3610 4.3610 4.5685 4.5685 5.0545 5.0545 5.2248 5.2248 5.2772 5.2772 5.7727 5.7727 5.9159 5.9159 6.0731 6.0731 6.1545 6.1545 6.2578 6.2578 10.1516 10.1516 10.2329 10.2329 13.6764 13.6764 14.7751 14.7751 15.3149 15.3149 k = 0.3610-0.2400-0.6292 ( 3346 PWs) bands (ev): -13.0112 -13.0112 -12.7731 -12.7731 -11.5405 -11.5405 -11.1437 -11.1437 -10.8007 -10.8007 -10.1340 -10.1340 -3.6005 -3.6005 -3.3272 -3.3272 -0.3529 -0.3529 0.2002 0.2002 1.0759 1.0759 2.2989 2.2989 2.9753 2.9753 3.1760 3.1760 4.3370 4.3370 4.5860 4.5860 5.0695 5.0695 5.2272 5.2272 5.2713 5.2713 5.7676 5.7676 5.9168 5.9168 6.0659 6.0659 6.1480 6.1480 6.2533 6.2533 10.2090 10.2090 10.2428 10.2428 13.6625 13.6625 14.7405 14.7405 15.2555 15.2555 k = 0.3686-0.2451-0.6426 ( 3342 PWs) bands (ev): -13.0397 -13.0397 -12.7164 -12.7164 -11.5480 -11.5480 -11.1667 -11.1667 -10.8370 -10.8370 -10.1069 -10.1069 -3.6398 -3.6398 -3.2114 -3.2114 -0.3422 -0.3422 0.1394 0.1394 0.9776 0.9776 2.3852 2.3852 2.9708 2.9708 3.1719 3.1719 4.3141 4.3141 4.5959 4.5959 5.0848 5.0848 5.2277 5.2277 5.2669 5.2669 5.7628 5.7628 5.9140 5.9140 6.0606 6.0606 6.1386 6.1386 6.2522 6.2522 10.1892 10.1892 10.3340 10.3340 13.6442 13.6442 14.7082 14.7082 15.1974 15.1974 k = 0.6314 0.0229-0.4580 ( 3342 PWs) bands (ev): -13.0397 -13.0397 -12.7164 -12.7164 -11.5480 -11.5480 -11.1667 -11.1667 -10.8370 -10.8370 -10.1069 -10.1069 -3.6398 -3.6398 -3.2114 -3.2114 -0.3422 -0.3422 0.1394 0.1394 0.9776 0.9776 2.3852 2.3852 2.9708 2.9708 3.1719 3.1719 4.3141 4.3141 4.5959 4.5959 5.0848 5.0848 5.2277 5.2277 5.2669 5.2669 5.7628 5.7628 5.9140 5.9140 6.0606 6.0606 6.1386 6.1386 6.2522 6.2522 10.1892 10.1892 10.3340 10.3340 13.6442 13.6442 14.7082 14.7082 15.1974 15.1974 k = 0.6236 0.0373-0.4580 ( 3348 PWs) bands (ev): -13.0670 -13.0670 -12.6593 -12.6593 -11.5552 -11.5552 -11.1887 -11.1887 -10.8743 -10.8743 -10.0807 -10.0807 -3.6775 -3.6775 -3.0946 -3.0946 -0.3337 -0.3337 0.0823 0.0823 0.8768 0.8768 2.4730 2.4730 2.9623 2.9623 3.1734 3.1734 4.2922 4.2922 4.5978 4.5978 5.1008 5.1008 5.2267 5.2267 5.2641 5.2641 5.7583 5.7583 5.9079 5.9079 6.0573 6.0573 6.1265 6.1265 6.2539 6.2539 10.1710 10.1710 10.4281 10.4281 13.6213 13.6213 14.6780 14.6780 15.1414 15.1414 k = 0.6159 0.0517-0.4580 ( 3346 PWs) bands (ev): -13.0927 -13.0927 -12.6022 -12.6022 -11.5621 -11.5621 -11.2097 -11.2097 -10.9122 -10.9122 -10.0555 -10.0555 -3.7133 -3.7133 -2.9775 -2.9775 -0.3282 -0.3282 0.0300 0.0300 0.7749 0.7749 2.5613 2.5613 2.9510 2.9510 3.1795 3.1795 4.2716 4.2716 4.5916 4.5916 5.1170 5.1170 5.2243 5.2243 5.2633 5.2633 5.7543 5.7543 5.8990 5.8990 6.0554 6.0554 6.1125 6.1125 6.2579 6.2579 10.1549 10.1549 10.5234 10.5234 13.5938 13.5938 14.6496 14.6496 15.0887 15.0887 k = 0.6082 0.0661-0.4580 ( 3350 PWs) bands (ev): -13.1168 -13.1168 -12.5454 -12.5454 -11.5687 -11.5687 -11.2295 -11.2295 -10.9507 -10.9507 -10.0314 -10.0314 -3.7472 -3.7472 -2.8601 -2.8601 -0.3267 -0.3267 -0.0167 -0.0167 0.6723 0.6723 2.6496 2.6496 2.9381 2.9381 3.1890 3.1890 4.2524 4.2524 4.5776 4.5776 5.1322 5.1322 5.2209 5.2209 5.2656 5.2656 5.7508 5.7508 5.8882 5.8882 6.0544 6.0544 6.0969 6.0969 6.2633 6.2633 10.1407 10.1407 10.6195 10.6195 13.5618 13.5618 14.6228 14.6228 15.0401 15.0401 k = 0.6005 0.0806-0.4580 ( 3348 PWs) bands (ev): -13.1393 -13.1393 -12.4889 -12.4889 -11.5749 -11.5749 -11.2482 -11.2482 -10.9897 -10.9897 -10.0087 -10.0087 -3.7791 -3.7791 -2.7427 -2.7427 -0.3304 -0.3304 -0.0568 -0.0568 0.5696 0.5696 2.7374 2.7374 2.9248 2.9248 3.2006 3.2006 4.2345 4.2345 4.5563 4.5563 5.1444 5.1444 5.2168 5.2168 5.2723 5.2723 5.7479 5.7479 5.8762 5.8762 6.0539 6.0539 6.0803 6.0803 6.2696 6.2696 10.1284 10.1284 10.7161 10.7161 13.5254 13.5254 14.5972 14.5972 14.9962 14.9962 k = 0.5927 0.0950-0.4580 ( 3346 PWs) bands (ev): -13.1603 -13.1603 -12.4328 -12.4328 -11.5808 -11.5808 -11.2658 -11.2658 -11.0290 -11.0290 -9.9872 -9.9872 -3.8090 -3.8090 -2.6254 -2.6254 -0.3406 -0.3406 -0.0895 -0.0895 0.4677 0.4677 2.8231 2.8231 2.9131 2.9131 3.2136 3.2136 4.2180 4.2180 4.5284 4.5284 5.1521 5.1521 5.2119 5.2119 5.2846 5.2846 5.7457 5.7457 5.8635 5.8635 6.0526 6.0526 6.0640 6.0640 6.2764 6.2764 10.1178 10.1178 10.8125 10.8125 13.4848 13.4848 14.5729 14.5729 14.9572 14.9572 k = 0.5850 0.1094-0.4580 ( 3346 PWs) bands (ev): -13.1796 -13.1796 -12.3774 -12.3774 -11.5863 -11.5863 -11.2824 -11.2824 -11.0684 -11.0684 -9.9672 -9.9672 -3.8367 -3.8367 -2.5084 -2.5084 -0.3578 -0.3578 -0.1148 -0.1148 0.3676 0.3676 2.8824 2.8824 2.9277 2.9277 3.2273 3.2273 4.2030 4.2030 4.4947 4.4947 5.1552 5.1552 5.2064 5.2064 5.3023 5.3023 5.7441 5.7441 5.8507 5.8507 6.0419 6.0419 6.0566 6.0566 6.2834 6.2834 10.1088 10.1088 10.9081 10.9081 13.4403 13.4403 14.5496 14.5496 14.9233 14.9233 k = 0.5773 0.1238-0.4580 ( 3344 PWs) bands (ev): -13.1973 -13.1973 -12.3228 -12.3228 -11.5915 -11.5915 -11.2979 -11.2979 -11.1077 -11.1077 -9.9487 -9.9487 -3.8622 -3.8622 -2.3918 -2.3918 -0.3820 -0.3820 -0.1342 -0.1342 0.2707 0.2707 2.8783 2.8783 3.0055 3.0055 3.2414 3.2414 4.1893 4.1893 4.4557 4.4557 5.1547 5.1547 5.2003 5.2003 5.3240 5.3240 5.7433 5.7433 5.8381 5.8381 6.0238 6.0238 6.0559 6.0559 6.2904 6.2904 10.1012 10.1012 11.0025 11.0025 13.3926 13.3926 14.5275 14.5275 14.8943 14.8943 k = 0.5695 0.1382-0.4580 ( 3344 PWs) bands (ev): -13.2133 -13.2133 -12.2694 -12.2694 -11.5963 -11.5963 -11.3126 -11.3126 -11.1466 -11.1466 -9.9318 -9.9318 -3.8855 -3.8855 -2.2761 -2.2761 -0.4119 -0.4119 -0.1507 -0.1507 0.1796 0.1796 2.8676 2.8676 3.0893 3.0893 3.2558 3.2558 4.1771 4.1771 4.4120 4.4120 5.1520 5.1520 5.1938 5.1938 5.3478 5.3478 5.7434 5.7434 5.8260 5.8260 6.0046 6.0046 6.0557 6.0557 6.2970 6.2970 10.0948 10.0948 11.0947 11.0947 13.3422 13.3422 14.5067 14.5067 14.8699 14.8699 k = 0.5618 0.1526-0.4580 ( 3344 PWs) bands (ev): -13.2277 -13.2277 -12.2173 -12.2173 -11.6007 -11.6007 -11.3266 -11.3266 -11.1844 -11.1844 -9.9164 -9.9164 -3.9064 -3.9064 -2.1615 -2.1615 -0.4470 -0.4470 -0.1685 -0.1685 0.0981 0.0981 2.8572 2.8572 3.1710 3.1710 3.2716 3.2716 4.1663 4.1663 4.3643 4.3643 5.1482 5.1482 5.1871 5.1871 5.3723 5.3723 5.7444 5.7444 5.8146 5.8146 5.9850 5.9850 6.0556 6.0556 6.3033 6.3033 10.0895 10.0895 11.1840 11.1840 13.2901 13.2901 14.4875 14.4875 14.8498 14.8498 k = 0.5541 0.1671-0.4580 ( 3338 PWs) bands (ev): -13.2404 -13.2404 -12.1671 -12.1671 -11.6049 -11.6049 -11.3404 -11.3404 -11.2204 -11.2204 -9.9027 -9.9027 -3.9250 -3.9250 -2.0486 -2.0486 -0.4873 -0.4873 -0.1927 -0.1927 0.0320 0.0320 2.8476 2.8476 3.2411 3.2411 3.2971 3.2971 4.1567 4.1567 4.3130 4.3130 5.1440 5.1440 5.1805 5.1805 5.3963 5.3963 5.7467 5.7467 5.8043 5.8043 5.9650 5.9650 6.0554 6.0554 6.3090 6.3090 10.0852 10.0852 11.2693 11.2693 13.2373 13.2373 14.4701 14.4701 14.8333 14.8333 k = 0.5464 0.1815-0.4580 ( 3342 PWs) bands (ev): -13.2515 -13.2515 -12.1194 -12.1194 -11.6087 -11.6087 -11.3546 -11.3546 -11.2533 -11.2533 -9.8908 -9.8908 -3.9413 -3.9413 -1.9383 -1.9383 -0.5335 -0.5335 -0.2263 -0.2263 -0.0139 -0.0139 2.8392 2.8392 3.2746 3.2746 3.3567 3.3567 4.1481 4.1481 4.2588 4.2588 5.1398 5.1398 5.1742 5.1742 5.4190 5.4190 5.7502 5.7502 5.7951 5.7951 5.9450 5.9450 6.0552 6.0552 6.3142 6.3142 10.0817 10.0817 11.3491 11.3491 13.1852 13.1852 14.4546 14.4546 14.8201 14.8201 k = 0.5386 0.1959-0.4580 ( 3346 PWs) bands (ev): -13.2608 -13.2608 -12.0747 -12.0747 -11.6124 -11.6124 -11.3702 -11.3702 -11.2814 -11.2814 -9.8806 -9.8806 -3.9551 -3.9551 -1.8317 -1.8317 -0.5868 -0.5868 -0.2657 -0.2657 -0.0410 -0.0410 2.8320 2.8320 3.2886 3.2886 3.4326 3.4326 4.1393 4.1393 4.2035 4.2035 5.1359 5.1359 5.1684 5.1684 5.4395 5.4395 5.7552 5.7552 5.7872 5.7872 5.9251 5.9251 6.0549 6.0549 6.3186 6.3186 10.0790 10.0790 11.4221 11.4221 13.1355 13.1355 14.4414 14.4414 14.8097 14.8097 k = 0.5309 0.2103-0.4580 ( 3346 PWs) bands (ev): -13.2685 -13.2685 -12.0343 -12.0343 -11.6157 -11.6157 -11.3876 -11.3876 -11.3031 -11.3031 -9.8722 -9.8722 -3.9664 -3.9664 -1.7309 -1.7309 -0.6463 -0.6463 -0.3030 -0.3030 -0.0557 -0.0557 2.8261 2.8261 3.2979 3.2979 3.5094 3.5094 4.1215 4.1215 4.1566 4.1566 5.1325 5.1325 5.1633 5.1633 5.4573 5.4573 5.7616 5.7616 5.7808 5.7808 5.9056 5.9056 6.0547 6.0547 6.3223 6.3223 10.0770 10.0770 11.4864 11.4864 13.0901 13.0901 14.4304 14.4304 14.8017 14.8017 k = 0.5232 0.2247-0.4580 ( 3340 PWs) bands (ev): -13.2744 -13.2744 -11.9996 -11.9996 -11.6189 -11.6189 -11.4058 -11.4058 -11.3182 -11.3182 -9.8656 -9.8656 -3.9752 -3.9752 -1.6392 -1.6392 -0.7087 -0.7087 -0.3332 -0.3332 -0.0634 -0.0634 2.8215 2.8215 3.3047 3.3047 3.5835 3.5835 4.0733 4.0733 4.1405 4.1405 5.1298 5.1298 5.1591 5.1591 5.4717 5.4717 5.7686 5.7686 5.7766 5.7766 5.8872 5.8872 6.0544 6.0544 6.3252 6.3252 10.0755 10.0755 11.5398 11.5398 13.0512 13.0512 14.4219 14.4219 14.7958 14.7958 k = 0.5155 0.2391-0.4580 ( 3336 PWs) bands (ev): -13.2787 -13.2787 -11.9724 -11.9724 -11.6215 -11.6215 -11.4220 -11.4220 -11.3277 -11.3277 -9.8609 -9.8609 -3.9816 -3.9816 -1.5622 -1.5622 -0.7665 -0.7665 -0.3544 -0.3544 -0.0675 -0.0675 2.8182 2.8182 3.3095 3.3095 3.6518 3.6518 4.0171 4.0171 4.1355 4.1355 5.1278 5.1278 5.1560 5.1560 5.4823 5.4823 5.7701 5.7701 5.7802 5.7802 5.8707 5.8707 6.0542 6.0542 6.3274 6.3274 10.0745 10.0745 11.5802 11.5802 13.0212 13.0212 14.4157 14.4157 14.7917 14.7917 k = 0.5077 0.2536-0.4580 ( 3334 PWs) bands (ev): -13.2813 -13.2813 -11.9549 -11.9549 -11.6235 -11.6235 -11.4332 -11.4332 -11.3328 -11.3328 -9.8581 -9.8581 -3.9854 -3.9854 -1.5086 -1.5086 -0.8094 -0.8094 -0.3668 -0.3668 -0.0694 -0.0694 2.8162 2.8162 3.3123 3.3123 3.7072 3.7072 3.9684 3.9684 4.1332 4.1332 5.1265 5.1265 5.1541 5.1541 5.4888 5.4888 5.7683 5.7683 5.7876 5.7876 5.8581 5.8581 6.0541 6.0541 6.3286 6.3286 10.0739 10.0739 11.6055 11.6055 13.0021 13.0021 14.4120 14.4120 14.7894 14.7894 k = 0.5000 0.2680-0.4580 ( 3326 PWs) bands (ev): -13.2821 -13.2821 -11.9488 -11.9488 -11.6242 -11.6242 -11.4372 -11.4372 -11.3345 -11.3345 -9.8572 -9.8572 -3.9866 -3.9866 -1.4890 -1.4890 -0.8256 -0.8256 -0.3708 -0.3708 -0.0700 -0.0700 2.8156 2.8156 3.3133 3.3133 3.7313 3.7313 3.9465 3.9465 4.1325 4.1325 5.1261 5.1261 5.1535 5.1535 5.4910 5.4910 5.7677 5.7677 5.7910 5.7910 5.8530 5.8530 6.0541 6.0541 6.3291 6.3291 10.0737 10.0737 11.6141 11.6141 12.9955 12.9955 14.4108 14.4108 14.7886 14.7886 k = 0.5000 0.2680-0.4580 ( 3326 PWs) bands (ev): -13.2821 -13.2821 -11.9488 -11.9488 -11.6242 -11.6242 -11.4372 -11.4372 -11.3345 -11.3345 -9.8572 -9.8572 -3.9866 -3.9866 -1.4890 -1.4890 -0.8256 -0.8256 -0.3708 -0.3708 -0.0700 -0.0700 2.8156 2.8156 3.3133 3.3133 3.7313 3.7313 3.9465 3.9465 4.1325 4.1325 5.1261 5.1261 5.1535 5.1535 5.4910 5.4910 5.7677 5.7677 5.7910 5.7910 5.8530 5.8530 6.0541 6.0541 6.3291 6.3291 10.0737 10.0737 11.6141 11.6141 12.9955 12.9955 14.4108 14.4108 14.7886 14.7886 k = 0.5088 0.2727-0.4457 ( 3336 PWs) bands (ev): -13.2813 -13.2813 -11.9555 -11.9555 -11.6238 -11.6238 -11.4350 -11.4350 -11.3299 -11.3299 -9.8582 -9.8582 -3.9855 -3.9855 -1.5029 -1.5029 -0.8206 -0.8206 -0.3608 -0.3608 -0.0700 -0.0700 2.8166 2.8166 3.3135 3.3135 3.7318 3.7318 3.9234 3.9234 4.1534 4.1534 5.1170 5.1170 5.1616 5.1616 5.4901 5.4901 5.7676 5.7676 5.7919 5.7919 5.8507 5.8507 6.0546 6.0546 6.3287 6.3287 10.0744 10.0744 11.6100 11.6100 12.9991 12.9991 14.4140 14.4140 14.7885 14.7885 k = 0.5175 0.2774-0.4334 ( 3336 PWs) bands (ev): -13.2787 -13.2787 -11.9749 -11.9749 -11.6228 -11.6228 -11.4292 -11.4292 -11.3161 -11.3161 -9.8612 -9.8612 -3.9820 -3.9820 -1.5424 -1.5424 -0.8070 -0.8070 -0.3317 -0.3317 -0.0700 -0.0700 2.8198 2.8198 3.3142 3.3142 3.7329 3.7329 3.8715 3.8715 4.1993 4.1993 5.1001 5.1001 5.1757 5.1757 5.4875 5.4875 5.7676 5.7676 5.7947 5.7947 5.8441 5.8441 6.0560 6.0560 6.3274 6.3274 10.0766 10.0766 11.5978 11.5978 13.0098 13.0098 14.4233 14.4233 14.7883 14.7883 k = 0.5263 0.2821-0.4211 ( 3336 PWs) bands (ev): -13.2745 -13.2745 -12.0049 -12.0049 -11.6211 -11.6211 -11.4215 -11.4215 -11.2934 -11.2934 -9.8662 -9.8662 -3.9762 -3.9762 -1.6026 -1.6026 -0.7873 -0.7873 -0.2861 -0.2861 -0.0695 -0.0695 2.8251 2.8251 3.3153 3.3153 3.7323 3.7323 3.8108 3.8108 4.2524 4.2524 5.0811 5.0811 5.1900 5.1900 5.4829 5.4829 5.7674 5.7674 5.7993 5.7993 5.8339 5.8339 6.0577 6.0577 6.3253 6.3253 10.0803 10.0803 11.5777 11.5777 13.0275 13.0275 14.4387 14.4387 14.7880 14.7880 k = 0.5350 0.2868-0.4088 ( 3341 PWs) bands (ev): -13.2686 -13.2686 -12.0432 -12.0432 -11.6188 -11.6188 -11.4131 -11.4131 -11.2630 -11.2630 -9.8732 -9.8732 -3.9680 -3.9680 -1.6783 -1.6783 -0.7640 -0.7640 -0.2283 -0.2283 -0.0674 -0.0674 2.8324 2.8324 3.3168 3.3168 3.7107 3.7107 3.7667 3.7667 4.3066 4.3066 5.0610 5.0610 5.2035 5.2035 5.4763 5.4763 5.7672 5.7672 5.8050 5.8050 5.8219 5.8219 6.0592 6.0592 6.3224 6.3224 10.0855 10.0855 11.5500 11.5500 13.0519 13.0519 14.4597 14.4597 14.7879 14.7879 k = 0.5438 0.2915-0.3965 ( 3341 PWs) bands (ev): -13.2610 -13.2610 -12.0876 -12.0876 -11.6159 -11.6159 -11.4043 -11.4043 -11.2267 -11.2267 -9.8821 -9.8821 -3.9576 -3.9576 -1.7651 -1.7651 -0.7379 -0.7379 -0.1658 -0.1658 -0.0595 -0.0595 2.8418 2.8418 3.3186 3.3186 3.6473 3.6473 3.7622 3.7622 4.3595 4.3595 5.0403 5.0403 5.2162 5.2162 5.4674 5.4674 5.7669 5.7669 5.8037 5.8037 5.8171 5.8171 6.0601 6.0601 6.3185 6.3185 10.0922 10.0922 11.5154 11.5154 13.0828 13.0828 14.4858 14.4858 14.7882 14.7882 k = 0.5525 0.2961-0.3842 ( 3333 PWs) bands (ev): -13.2517 -13.2517 -12.1365 -12.1365 -11.6124 -11.6124 -11.3949 -11.3949 -11.1862 -11.1862 -9.8929 -9.8929 -3.9448 -3.9448 -1.8598 -1.8598 -0.7096 -0.7096 -0.1184 -0.1184 -0.0287 -0.0287 2.8532 2.8532 3.3205 3.3205 3.5720 3.5720 3.7684 3.7684 4.4102 4.4102 5.0190 5.0190 5.2278 5.2278 5.4559 5.4559 5.7665 5.7665 5.7904 5.7904 5.8255 5.8255 6.0601 6.0601 6.3136 6.3136 10.1004 10.1004 11.4742 11.4742 13.1198 13.1198 14.5163 14.5163 14.7893 14.7893 k = 0.5613 0.3008-0.3719 ( 3334 PWs) bands (ev): -13.2408 -13.2408 -12.1887 -12.1887 -11.6084 -11.6084 -11.3848 -11.3848 -11.1430 -11.1430 -9.9056 -9.9056 -3.9297 -3.9297 -1.9603 -1.9603 -0.6790 -0.6790 -0.1017 -0.1017 0.0382 0.0382 2.8666 2.8666 3.3218 3.3218 3.4933 3.4933 3.7777 3.7777 4.4580 4.4580 4.9974 4.9974 5.2384 5.2384 5.4419 5.4419 5.7657 5.7657 5.7765 5.7765 5.8365 5.8365 6.0589 6.0589 6.3076 6.3076 10.1101 10.1101 11.4270 11.4270 13.1625 13.1625 14.5500 14.5500 14.7919 14.7919 k = 0.5701 0.3055-0.3596 ( 3336 PWs) bands (ev): -13.2281 -13.2281 -12.2433 -12.2433 -11.6038 -11.6038 -11.3737 -11.3737 -11.0981 -11.0981 -9.9201 -9.9201 -3.9124 -3.9124 -2.0650 -2.0650 -0.6461 -0.6461 -0.0975 -0.0975 0.1215 0.1215 2.8818 2.8818 3.3200 3.3200 3.4153 3.4153 3.7889 3.7889 4.5025 4.5025 4.9756 4.9756 5.2480 5.2480 5.4253 5.4253 5.7603 5.7603 5.7677 5.7677 5.8491 5.8491 6.0567 6.0567 6.3005 6.3005 10.1213 10.1213 11.3744 11.3744 13.2106 13.2106 14.5855 14.5855 14.7972 14.7972 k = 0.5788 0.3102-0.3473 ( 3336 PWs) bands (ev): -13.2139 -13.2139 -12.2996 -12.2996 -11.5988 -11.5988 -11.3615 -11.3615 -11.0523 -11.0523 -9.9363 -9.9363 -3.8927 -3.8927 -2.1730 -2.1730 -0.6111 -0.6111 -0.0963 -0.0963 0.2106 0.2106 2.8988 2.8988 3.2957 3.2957 3.3577 3.3577 3.8016 3.8016 4.5432 4.5432 4.9538 4.9538 5.2567 5.2567 5.4064 5.4064 5.7486 5.7486 5.7662 5.7662 5.8630 5.8630 6.0537 6.0537 6.2923 6.2923 10.1341 10.1341 11.3170 11.3170 13.2634 13.2634 14.6205 14.6205 14.8071 14.8071 k = 0.5876 0.3149-0.3350 ( 3338 PWs) bands (ev): -13.1979 -13.1979 -12.3571 -12.3571 -11.5932 -11.5932 -11.3482 -11.3482 -11.0062 -11.0062 -9.9542 -9.9542 -3.8708 -3.8708 -2.2833 -2.2833 -0.5742 -0.5742 -0.0952 -0.0952 0.3022 0.3022 2.9175 2.9175 3.2237 3.2237 3.3462 3.3462 3.8157 3.8157 4.5797 4.5797 4.9321 4.9321 5.2644 5.2644 5.3855 5.3855 5.7371 5.7371 5.7655 5.7655 5.8780 5.8780 6.0502 6.0502 6.2830 6.2830 10.1485 10.1485 11.2553 11.2553 13.3206 13.3206 14.6522 14.6522 14.8244 14.8244 k = 0.5963 0.3196-0.3226 ( 3336 PWs) bands (ev): -13.1804 -13.1804 -12.4156 -12.4156 -11.5872 -11.5872 -11.3337 -11.3337 -10.9601 -10.9601 -9.9736 -9.9736 -3.8466 -3.8466 -2.3956 -2.3956 -0.5361 -0.5361 -0.0931 -0.0931 0.3950 0.3950 2.9375 2.9375 3.1380 3.1380 3.3468 3.3468 3.8309 3.8309 4.6117 4.6117 4.9106 4.9106 5.2713 5.2713 5.3632 5.3632 5.7266 5.7266 5.7648 5.7648 5.8939 5.8939 6.0466 6.0466 6.2726 6.2726 10.1645 10.1645 11.1898 11.1898 13.3813 13.3813 14.6775 14.6775 14.8519 14.8519 k = 0.6051 0.3243-0.3103 ( 3332 PWs) bands (ev): -13.1612 -13.1612 -12.4747 -12.4747 -11.5807 -11.5807 -11.3178 -11.3178 -10.9143 -10.9143 -9.9945 -9.9945 -3.8202 -3.8202 -2.5092 -2.5092 -0.4977 -0.4977 -0.0886 -0.0886 0.4879 0.4879 2.9579 2.9579 3.0497 3.0497 3.3495 3.3495 3.8471 3.8471 4.6388 4.6388 4.8894 4.8894 5.2771 5.2771 5.3401 5.3401 5.7167 5.7167 5.7641 5.7641 5.9107 5.9107 6.0432 6.0432 6.2612 6.2612 10.1821 10.1821 11.1209 11.1209 13.4450 13.4450 14.6959 14.6959 14.8901 14.8901 k = 0.6139 0.3290-0.2980 ( 3325 PWs) bands (ev): -13.1404 -13.1404 -12.5342 -12.5342 -11.5739 -11.5739 -11.3008 -11.3008 -10.8692 -10.8692 -10.0168 -10.0168 -3.7915 -3.7915 -2.6240 -2.6240 -0.4602 -0.4602 -0.0802 -0.0802 0.5804 0.5804 2.9480 2.9480 2.9911 2.9911 3.3528 3.3528 3.8643 3.8643 4.6608 4.6608 4.8688 4.8688 5.2817 5.2817 5.3169 5.3169 5.7075 5.7075 5.7635 5.7635 5.9282 5.9282 6.0406 6.0406 6.2489 6.2489 10.2015 10.2015 11.0493 11.0493 13.5108 13.5108 14.7095 14.7095 14.9370 14.9370 k = 0.6226 0.3337-0.2857 ( 3322 PWs) bands (ev): -13.1180 -13.1180 -12.5938 -12.5938 -11.5666 -11.5666 -11.2824 -11.2824 -10.8248 -10.8248 -10.0405 -10.0405 -3.7606 -3.7606 -2.7396 -2.7396 -0.4255 -0.4255 -0.0661 -0.0661 0.6718 0.6718 2.8600 2.8600 3.0103 3.0103 3.3562 3.3562 3.8822 3.8822 4.6775 4.6775 4.8487 4.8487 5.2809 5.2809 5.2980 5.2980 5.6988 5.6988 5.7629 5.7629 5.9462 5.9462 6.0390 6.0390 6.2357 6.2357 10.2225 10.2225 10.9752 10.9752 13.5777 13.5777 14.7210 14.7210 14.9902 14.9902 k = 0.6314 0.3384-0.2734 ( 3320 PWs) bands (ev): -13.0940 -13.0940 -12.6536 -12.6536 -11.5590 -11.5590 -11.2627 -11.2627 -10.7814 -10.7814 -10.0653 -10.0653 -3.7275 -3.7275 -2.8559 -2.8559 -0.3957 -0.3957 -0.0442 -0.0442 0.7617 0.7617 2.7665 2.7665 3.0351 3.0351 3.3596 3.3596 3.9009 3.9009 4.6889 4.6889 4.8292 4.8292 5.2626 5.2626 5.2954 5.2954 5.6906 5.6906 5.7624 5.7624 5.9647 5.9647 6.0388 6.0388 6.2219 6.2219 10.2454 10.2454 10.8990 10.8990 13.6446 13.6446 14.7329 14.7329 15.0475 15.0475 k = 0.6314 0.3384-0.2734 ( 3320 PWs) bands (ev): -13.0940 -13.0940 -12.6536 -12.6536 -11.5590 -11.5590 -11.2627 -11.2627 -10.7814 -10.7814 -10.0653 -10.0653 -3.7275 -3.7275 -2.8559 -2.8559 -0.3957 -0.3957 -0.0442 -0.0442 0.7617 0.7617 2.7665 2.7665 3.0351 3.0351 3.3596 3.3596 3.9009 3.9009 4.6889 4.6889 4.8292 4.8292 5.2626 5.2626 5.2954 5.2954 5.6906 5.6906 5.7624 5.7624 5.9647 5.9647 6.0388 6.0388 6.2219 6.2219 10.2454 10.2454 10.8990 10.8990 13.6446 13.6446 14.7329 14.7329 15.0475 15.0475 k = 0.6270 0.3360-0.2582 ( 3323 PWs) bands (ev): -13.0789 -13.0789 -12.6892 -12.6892 -11.5575 -11.5575 -11.2505 -11.2505 -10.7574 -10.7574 -10.0779 -10.0779 -3.6911 -3.6911 -2.9152 -2.9152 -0.3957 -0.3957 -0.0349 -0.0349 0.8105 0.8105 2.7032 2.7032 3.0620 3.0620 3.3695 3.3695 3.9020 3.9020 4.6905 4.6905 4.8362 4.8362 5.2426 5.2426 5.2651 5.2651 5.6768 5.6768 5.7654 5.7654 5.9736 5.9736 6.0402 6.0402 6.2101 6.2101 10.2857 10.2857 10.8664 10.8664 13.6800 13.6800 14.7387 14.7387 15.0828 15.0828 k = 0.6226 0.3337-0.2429 ( 3319 PWs) bands (ev): -13.0667 -13.0667 -12.7239 -12.7239 -11.5516 -11.5516 -11.2374 -11.2374 -10.7340 -10.7340 -10.0909 -10.0909 -3.6604 -3.6604 -2.9740 -2.9740 -0.3944 -0.3944 -0.0199 -0.0199 0.8576 0.8576 2.6394 2.6394 3.0904 3.0904 3.3815 3.3815 3.9032 3.9032 4.6868 4.6868 4.8418 4.8418 5.2201 5.2201 5.2371 5.2371 5.6615 5.6615 5.7698 5.7698 5.9837 5.9837 6.0425 6.0425 6.1978 6.1978 10.3220 10.3220 10.8346 10.8346 13.7182 13.7182 14.7492 14.7492 15.1178 15.1178 k = 0.6182 0.3314-0.2276 ( 3316 PWs) bands (ev): -13.0576 -13.0576 -12.7577 -12.7577 -11.5416 -11.5416 -11.2235 -11.2235 -10.7111 -10.7111 -10.1044 -10.1044 -3.6357 -3.6357 -3.0321 -3.0321 -0.3901 -0.3901 -0.0006 -0.0006 0.9029 0.9029 2.5752 2.5752 3.1204 3.1204 3.3958 3.3958 3.9046 3.9046 4.6776 4.6776 4.8458 4.8458 5.1900 5.1900 5.2170 5.2170 5.6445 5.6445 5.7760 5.7760 5.9946 5.9946 6.0456 6.0456 6.1853 6.1853 10.3543 10.3543 10.8034 10.8034 13.7594 13.7594 14.7641 14.7641 15.1522 15.1522 k = 0.6139 0.3290-0.2123 ( 3322 PWs) bands (ev): -13.0514 -13.0514 -12.7904 -12.7904 -11.5274 -11.5274 -11.2088 -11.2088 -10.6890 -10.6890 -10.1184 -10.1184 -3.6169 -3.6169 -3.0894 -3.0894 -0.3815 -0.3815 0.0217 0.0217 0.9462 0.9462 2.5106 2.5106 3.1517 3.1517 3.4121 3.4121 3.9064 3.9064 4.6630 4.6630 4.8479 4.8479 5.1554 5.1554 5.2018 5.2018 5.6256 5.6256 5.7841 5.7841 6.0059 6.0059 6.0495 6.0495 6.1732 6.1732 10.3821 10.3821 10.7728 10.7728 13.8039 13.8039 14.7832 14.7832 15.1859 15.1859 k = 0.6095 0.3267-0.1971 ( 3323 PWs) bands (ev): -13.0479 -13.0479 -12.8221 -12.8221 -11.5094 -11.5094 -11.1934 -11.1934 -10.6677 -10.6677 -10.1328 -10.1328 -3.6038 -3.6038 -3.1458 -3.1458 -0.3680 -0.3680 0.0462 0.0462 0.9875 0.9875 2.4458 2.4458 3.1843 3.1843 3.4305 3.4305 3.9088 3.9088 4.6435 4.6435 4.8480 4.8480 5.1192 5.1192 5.1889 5.1889 5.6045 5.6045 5.7943 5.7943 6.0175 6.0175 6.0540 6.0540 6.1620 6.1620 10.4055 10.4055 10.7428 10.7428 13.8520 13.8520 14.8064 14.8064 15.2188 15.2188 k = 0.6051 0.3243-0.1818 ( 3324 PWs) bands (ev): -13.0471 -13.0471 -12.8527 -12.8527 -11.4876 -11.4876 -11.1772 -11.1772 -10.6472 -10.6472 -10.1477 -10.1477 -3.5963 -3.5963 -3.2012 -3.2012 -0.3491 -0.3491 0.0724 0.0724 1.0264 1.0264 2.3808 2.3808 3.2182 3.2182 3.4508 3.4508 3.9119 3.9119 4.6195 4.6195 4.8461 4.8461 5.0820 5.0820 5.1772 5.1772 5.5811 5.5811 5.8066 5.8066 6.0293 6.0293 6.0589 6.0589 6.1524 6.1524 10.4243 10.4243 10.7133 10.7133 13.9037 13.9037 14.8332 14.8332 15.2509 15.2509 k = 0.6007 0.3220-0.1665 ( 3330 PWs) bands (ev): -13.0486 -13.0486 -12.8822 -12.8822 -11.4625 -11.4625 -11.1604 -11.1604 -10.6278 -10.6278 -10.1631 -10.1631 -3.5941 -3.5941 -3.2555 -3.2555 -0.3246 -0.3246 0.0998 0.0998 1.0630 1.0630 2.3158 2.3158 3.2533 3.2533 3.4730 3.4730 3.9158 3.9158 4.5916 4.5916 4.8420 4.8420 5.0442 5.0442 5.1663 5.1663 5.5554 5.5554 5.8209 5.8209 6.0409 6.0409 6.0641 6.0641 6.1446 6.1446 10.4386 10.4386 10.6843 10.6843 13.9590 13.9590 14.8633 14.8633 15.2821 15.2821 k = 0.5963 0.3196-0.1513 ( 3328 PWs) bands (ev): -13.0522 -13.0522 -12.9106 -12.9106 -11.4342 -11.4342 -11.1428 -11.1428 -10.6094 -10.6094 -10.1790 -10.1790 -3.5968 -3.5968 -3.3085 -3.3085 -0.2947 -0.2947 0.1282 0.1282 1.0970 1.0970 2.2508 2.2508 3.2895 3.2895 3.4967 3.4967 3.9205 3.9205 4.5606 4.5606 4.8358 4.8358 5.0062 5.0062 5.1555 5.1555 5.5274 5.5274 5.8373 5.8373 6.0523 6.0523 6.0694 6.0694 6.1394 6.1394 10.4485 10.4485 10.6557 10.6557 14.0179 14.0179 14.8965 14.8965 15.3126 15.3126 k = 0.5920 0.3173-0.1360 ( 3320 PWs) bands (ev): -13.0576 -13.0576 -12.9378 -12.9378 -11.4032 -11.4032 -11.1246 -11.1246 -10.5922 -10.5922 -10.1954 -10.1954 -3.6039 -3.6039 -3.3601 -3.3601 -0.2596 -0.2596 0.1574 0.1574 1.1284 1.1284 2.1858 2.1858 3.3266 3.3266 3.5219 3.5219 3.9262 3.9262 4.5272 4.5272 4.8275 4.8275 4.9684 4.9684 5.1444 5.1444 5.4970 5.4970 5.8554 5.8554 6.0629 6.0629 6.0750 6.0750 6.1368 6.1368 10.4543 10.4543 10.6275 10.6275 14.0802 14.0802 14.9324 14.9324 15.3423 15.3423 k = 0.5876 0.3149-0.1207 ( 3314 PWs) bands (ev): -13.0646 -13.0646 -12.9639 -12.9639 -11.3699 -11.3699 -11.1058 -11.1058 -10.5762 -10.5762 -10.2122 -10.2122 -3.6150 -3.6150 -3.4102 -3.4102 -0.2196 -0.2196 0.1873 0.1873 1.1569 1.1569 2.1211 2.1211 3.3648 3.3648 3.5484 3.5484 3.9328 3.9328 4.4919 4.4919 4.8171 4.8171 4.9309 4.9309 5.1326 5.1326 5.4644 5.4644 5.8751 5.8751 6.0714 6.0714 6.0820 6.0820 6.1370 6.1370 10.4562 10.4562 10.5998 10.5998 14.1456 14.1456 14.9707 14.9707 15.3712 15.3712 k = 0.5832 0.3126-0.1055 ( 3314 PWs) bands (ev): -13.0728 -13.0728 -12.9887 -12.9887 -11.3345 -11.3345 -11.0863 -11.0863 -10.5616 -10.5616 -10.2296 -10.2296 -3.6295 -3.6295 -3.4587 -3.4587 -0.1751 -0.1751 0.2178 0.2178 1.1826 1.1826 2.0566 2.0566 3.4037 3.4037 3.5759 3.5759 3.9403 3.9403 4.4554 4.4554 4.8047 4.8047 4.8944 4.8944 5.1198 5.1198 5.4296 5.4296 5.8962 5.8962 6.0775 6.0775 6.0912 6.0912 6.1396 6.1396 10.4544 10.4544 10.5725 10.5725 14.2139 14.2139 15.0111 15.0111 15.3996 15.3996 k = 0.5788 0.3102-0.0902 ( 3321 PWs) bands (ev): -13.0821 -13.0821 -13.0123 -13.0123 -11.2974 -11.2974 -11.0663 -11.0663 -10.5485 -10.5485 -10.2474 -10.2474 -3.6469 -3.6469 -3.5056 -3.5056 -0.1266 -0.1266 0.2489 0.2489 1.2052 1.2052 1.9925 1.9925 3.4434 3.4434 3.6043 3.6043 3.9487 3.9487 4.4184 4.4184 4.7902 4.7902 4.8592 4.8592 5.1057 5.1057 5.3929 5.3929 5.9183 5.9183 6.0827 6.0827 6.1013 6.1013 6.1441 6.1441 10.4493 10.4493 10.5456 10.5456 14.2847 14.2847 15.0532 15.0532 15.4275 15.4275 k = 0.5744 0.3079-0.0749 ( 3315 PWs) bands (ev): -13.0921 -13.0921 -13.0347 -13.0347 -11.2589 -11.2589 -11.0457 -11.0457 -10.5368 -10.5368 -10.2658 -10.2658 -3.6666 -3.6666 -3.5505 -3.5505 -0.0745 -0.0745 0.2805 0.2805 1.2246 1.2246 1.9288 1.9288 3.4836 3.4836 3.6332 3.6332 3.9577 3.9577 4.3812 4.3812 4.7733 4.7733 4.8263 4.8263 5.0903 5.0903 5.3545 5.3545 5.9413 5.9413 6.0881 6.0881 6.1117 6.1117 6.1499 6.1499 10.4414 10.4414 10.5193 10.5193 14.3576 14.3576 15.0968 15.0968 15.4551 15.4551 k = 0.5701 0.3055-0.0597 ( 3319 PWs) bands (ev): -13.1026 -13.1026 -13.0558 -13.0558 -11.2195 -11.2195 -11.0246 -11.0246 -10.5269 -10.5269 -10.2846 -10.2846 -3.6881 -3.6881 -3.5936 -3.5936 -0.0194 -0.0194 0.3127 0.3127 1.2408 1.2408 1.8656 1.8656 3.5243 3.5243 3.6626 3.6626 3.9674 3.9674 4.3444 4.3444 4.7532 4.7532 4.7968 4.7968 5.0734 5.0734 5.3145 5.3145 5.9647 5.9647 6.0943 6.0943 6.1218 6.1218 6.1564 6.1564 10.4310 10.4310 10.4936 10.4936 14.4321 14.4321 15.1414 15.1414 15.4824 15.4824 k = 0.5657 0.3032-0.0444 ( 3314 PWs) bands (ev): -13.1134 -13.1134 -13.0757 -13.0757 -11.1792 -11.1792 -11.0030 -11.0030 -10.5186 -10.5186 -10.3039 -10.3039 -3.7109 -3.7109 -3.6345 -3.6345 0.0383 0.0383 0.3455 0.3455 1.2535 1.2535 1.8030 1.8030 3.5652 3.5652 3.6920 3.6920 3.9775 3.9775 4.3085 4.3085 4.7299 4.7299 4.7716 4.7716 5.0550 5.0550 5.2733 5.2733 5.9884 5.9884 6.1014 6.1014 6.1316 6.1316 6.1633 6.1633 10.4186 10.4186 10.4686 10.4686 14.5079 14.5079 15.1867 15.1867 15.5098 15.5098 k = 0.5613 0.3008-0.0291 ( 3314 PWs) bands (ev): -13.1243 -13.1243 -13.0943 -13.0943 -11.1386 -11.1386 -10.9810 -10.9810 -10.5120 -10.5120 -10.3237 -10.3237 -3.7346 -3.7346 -3.6733 -3.6733 0.0981 0.0981 0.3789 0.3789 1.2627 1.2627 1.7411 1.7411 3.6062 3.6062 3.7214 3.7214 3.9878 3.9878 4.2740 4.2740 4.7046 4.7046 4.7499 4.7499 5.0352 5.0352 5.2310 5.2310 6.0120 6.0120 6.1095 6.1095 6.1412 6.1412 6.1702 6.1702 10.4045 10.4045 10.4443 10.4443 14.5843 14.5843 15.2323 15.2323 15.5373 15.5373 k = 0.5569 0.2985-0.0139 ( 3320 PWs) bands (ev): -13.1352 -13.1352 -13.1116 -13.1116 -11.0977 -11.0977 -10.9585 -10.9585 -10.5074 -10.5074 -10.3439 -10.3439 -3.7586 -3.7586 -3.7099 -3.7099 0.1595 0.1595 0.4128 0.4128 1.2683 1.2683 1.6800 1.6800 3.6471 3.6471 3.7504 3.7504 3.9979 3.9979 4.2412 4.2412 4.6794 4.6794 4.7305 4.7305 5.0140 5.0140 5.1878 5.1878 6.0353 6.0353 6.1185 6.1185 6.1503 6.1503 6.1771 6.1771 10.3891 10.3891 10.4209 10.4209 14.6610 14.6610 15.2776 15.2776 15.5654 15.5654 k = 0.5525 0.2961 0.0014 ( 3319 PWs) bands (ev): -13.1458 -13.1458 -13.1276 -13.1276 -11.0570 -11.0570 -10.9357 -10.9357 -10.5047 -10.5047 -10.3646 -10.3646 -3.7826 -3.7826 -3.7441 -3.7441 0.2220 0.2220 0.4475 0.4475 1.2702 1.2702 1.6197 1.6197 3.6874 3.6874 3.7788 3.7788 4.0078 4.0078 4.2106 4.2106 4.6559 4.6559 4.7124 4.7124 4.9915 4.9915 5.1441 5.1441 6.0580 6.0580 6.1282 6.1282 6.1590 6.1590 6.1837 6.1837 10.3730 10.3730 10.3986 10.3986 14.7373 14.7373 15.3220 15.3220 15.5943 15.5943 k = 0.5482 0.2938 0.0167 ( 3317 PWs) bands (ev): -13.1561 -13.1561 -13.1423 -13.1423 -11.0166 -11.0166 -10.9126 -10.9126 -10.5040 -10.5040 -10.3857 -10.3857 -3.8061 -3.8061 -3.7758 -3.7758 0.2852 0.2852 0.4828 0.4828 1.2682 1.2682 1.5603 1.5603 3.7270 3.7270 3.8063 3.8063 4.0169 4.0169 4.1827 4.1827 4.6351 4.6351 4.6954 4.6954 4.9677 4.9677 5.1000 5.1000 6.0799 6.0799 6.1382 6.1382 6.1674 6.1674 6.1899 6.1899 10.3565 10.3565 10.3773 10.3773 14.8128 14.8128 15.3647 15.3647 15.6245 15.6245 k = 0.5438 0.2915 0.0319 ( 3323 PWs) bands (ev): -13.1660 -13.1660 -13.1557 -13.1557 -10.9767 -10.9767 -10.8892 -10.8892 -10.5053 -10.5053 -10.4072 -10.4072 -3.8289 -3.8289 -3.8050 -3.8050 0.3487 0.3487 0.5188 0.5188 1.2623 1.2623 1.5020 1.5020 3.7652 3.7652 3.8326 3.8326 4.0250 4.0250 4.1579 4.1579 4.6179 4.6179 4.6794 4.6794 4.9430 4.9430 5.0558 5.0558 6.1007 6.1007 6.1484 6.1484 6.1754 6.1754 6.1957 6.1957 10.3400 10.3400 10.3572 10.3572 14.8869 14.8869 15.4046 15.4046 15.6563 15.6563 k = 0.5394 0.2891 0.0472 ( 3325 PWs) bands (ev): -13.1752 -13.1752 -13.1678 -13.1678 -10.9376 -10.9376 -10.8655 -10.8655 -10.5087 -10.5087 -10.4290 -10.4290 -3.8505 -3.8505 -3.8316 -3.8316 0.4119 0.4119 0.5554 0.5554 1.2525 1.2525 1.4448 1.4448 3.8016 3.8016 3.8572 3.8572 4.0320 4.0320 4.1365 4.1365 4.6048 4.6048 4.6649 4.6649 4.9173 4.9173 5.0117 5.0117 6.1202 6.1202 6.1585 6.1585 6.1830 6.1830 6.2010 6.2010 10.3239 10.3239 10.3384 10.3384 14.9589 14.9589 15.4404 15.4404 15.6904 15.6904 k = 0.5350 0.2868 0.0625 ( 3329 PWs) bands (ev): -13.1837 -13.1837 -13.1785 -13.1785 -10.8994 -10.8994 -10.8416 -10.8416 -10.5143 -10.5143 -10.4512 -10.4512 -3.8707 -3.8707 -3.8555 -3.8555 0.4745 0.4745 0.5927 0.5927 1.2388 1.2388 1.3889 1.3889 3.8355 3.8355 3.8798 3.8798 4.0378 4.0378 4.1191 4.1191 4.5961 4.5961 4.6521 4.6521 4.8909 4.8909 4.9680 4.9680 6.1381 6.1381 6.1680 6.1680 6.1903 6.1903 6.2057 6.2057 10.3086 10.3086 10.3211 10.3211 15.0284 15.0284 15.4710 15.4710 15.7273 15.7273 k = 0.5307 0.2844 0.0777 ( 3331 PWs) bands (ev): -13.1915 -13.1915 -13.1880 -13.1880 -10.8624 -10.8624 -10.8176 -10.8176 -10.5220 -10.5220 -10.4737 -10.4737 -3.8890 -3.8890 -3.8768 -3.8768 0.5360 0.5360 0.6306 0.6306 1.2214 1.2214 1.3344 1.3344 3.8661 3.8661 3.8997 3.8997 4.0427 4.0427 4.1059 4.1059 4.5921 4.5921 4.6416 4.6416 4.8639 4.8639 4.9250 4.9250 6.1543 6.1543 6.1768 6.1768 6.1972 6.1972 6.2099 6.2099 10.2945 10.2945 10.3052 10.3052 15.0948 15.0948 15.4948 15.4948 15.7672 15.7672 k = 0.5263 0.2821 0.0930 ( 3339 PWs) bands (ev): -13.1984 -13.1984 -13.1962 -13.1962 -10.8268 -10.8268 -10.7935 -10.7935 -10.5318 -10.5318 -10.4965 -10.4965 -3.9054 -3.9054 -3.8955 -3.8955 0.5958 0.5958 0.6690 0.6690 1.2004 1.2004 1.2815 1.2815 3.8923 3.8923 3.9163 3.9163 4.0475 4.0475 4.0970 4.0970 4.5929 4.5929 4.6339 4.6339 4.8366 4.8366 4.8831 4.8831 6.1686 6.1686 6.1846 6.1846 6.2038 6.2038 6.2135 6.2135 10.2818 10.2818 10.2910 10.2910 15.1575 15.1575 15.5109 15.5109 15.8101 15.8101 k = 0.5219 0.2797 0.1083 ( 3336 PWs) bands (ev): -13.2044 -13.2044 -13.2030 -13.2030 -10.7928 -10.7928 -10.7694 -10.7694 -10.5438 -10.5438 -10.5194 -10.5194 -3.9194 -3.9194 -3.9114 -3.9114 0.6531 0.6531 0.7076 0.7076 1.1761 1.1761 1.2307 1.2307 3.9136 3.9136 3.9293 3.9293 4.0529 4.0529 4.0920 4.0920 4.5983 4.5983 4.6297 4.6297 4.8092 4.8092 4.8426 4.8426 6.1808 6.1808 6.1912 6.1912 6.2100 6.2100 6.2167 6.2167 10.2709 10.2709 10.2785 10.2785 15.2162 15.2162 15.5186 15.5186 15.8558 15.8558 k = 0.5175 0.2774 0.1235 ( 3338 PWs) bands (ev): -13.2094 -13.2094 -13.2086 -13.2086 -10.7606 -10.7606 -10.7455 -10.7455 -10.5578 -10.5578 -10.5423 -10.5423 -3.9310 -3.9310 -3.9247 -3.9247 0.7072 0.7072 0.7458 0.7458 1.1493 1.1493 1.1826 1.1826 3.9293 3.9293 3.9385 3.9385 4.0597 4.0597 4.0898 4.0898 4.6079 4.6079 4.6296 4.6296 4.7819 4.7819 4.8040 4.8040 6.1907 6.1907 6.1966 6.1966 6.2154 6.2154 6.2194 6.2194 10.2618 10.2618 10.2679 10.2679 15.2706 15.2706 15.5177 15.5177 15.9033 15.9033 k = 0.5131 0.2750 0.1388 ( 3342 PWs) bands (ev): -13.2134 -13.2134 -13.2129 -13.2129 -10.7306 -10.7306 -10.7220 -10.7220 -10.5735 -10.5735 -10.5650 -10.5650 -3.9400 -3.9400 -3.9352 -3.9352 0.7565 0.7565 0.7826 0.7826 1.1211 1.1211 1.1382 1.1382 3.9400 3.9400 3.9446 3.9446 4.0674 4.0674 4.0895 4.0895 4.6214 4.6214 4.6343 4.6343 4.7550 4.7550 4.7678 4.7678 6.1981 6.1981 6.2008 6.2008 6.2199 6.2199 6.2218 6.2218 10.2547 10.2547 10.2594 10.2594 15.3203 15.3203 15.5087 15.5087 15.9514 15.9514 k = 0.5088 0.2727 0.1541 ( 3346 PWs) bands (ev): -13.2162 -13.2162 -13.2160 -13.2160 -10.7034 -10.7034 -10.6995 -10.6995 -10.5904 -10.5904 -10.5869 -10.5869 -3.9462 -3.9462 -3.9430 -3.9430 0.7990 0.7990 0.8155 0.8155 1.0937 1.0937 1.1001 1.1001 3.9463 3.9463 3.9482 3.9482 4.0751 4.0751 4.0895 4.0895 4.6382 4.6382 4.6441 4.6441 4.7288 4.7288 4.7346 4.7346 6.2031 6.2031 6.2040 6.2040 6.2232 6.2232 6.2238 6.2238 10.2498 10.2498 10.2529 10.2529 15.3652 15.3652 15.4923 15.4923 15.9981 15.9981 k = 0.5044 0.2703 0.1693 ( 3342 PWs) bands (ev): -13.2179 -13.2179 -13.2178 -13.2178 -10.6813 -10.6813 -10.6799 -10.6799 -10.6066 -10.6066 -10.6059 -10.6059 -3.9496 -3.9496 -3.9480 -3.9480 0.8307 0.8307 0.8392 0.8392 1.0717 1.0717 1.0726 1.0726 3.9495 3.9495 3.9502 3.9502 4.0816 4.0816 4.0887 4.0887 4.6577 4.6577 4.6592 4.6592 4.7037 4.7037 4.7052 4.7052 6.2058 6.2058 6.2060 6.2060 6.2252 6.2252 6.2253 6.2253 10.2472 10.2472 10.2488 10.2488 15.4052 15.4052 15.4691 15.4691 16.0403 16.0403 k = 0.5000 0.2680 0.1846 ( 3342 PWs) bands (ev): -13.2185 -13.2185 -13.2185 -13.2185 -10.6708 -10.6708 -10.6708 -10.6708 -10.6150 -10.6150 -10.6150 -10.6150 -3.9502 -3.9502 -3.9502 -3.9502 0.8456 0.8456 0.8456 0.8456 1.0625 1.0625 1.0625 1.0625 3.9506 3.9506 3.9506 3.9506 4.0862 4.0862 4.0862 4.0862 4.6767 4.6767 4.6767 4.6767 4.6828 4.6828 4.6828 4.6828 6.2067 6.2067 6.2067 6.2067 6.2258 6.2258 6.2258 6.2258 10.2468 10.2468 10.2468 10.2468 15.4399 15.4399 15.4399 15.4399 16.0740 16.0740 k = 0.5000-0.3325-0.2290 ( 3342 PWs) bands (ev): -13.1484 -13.1484 -13.1484 -13.1484 -10.7450 -10.7450 -10.7450 -10.7450 -10.6126 -10.6126 -10.6126 -10.6126 -4.2469 -4.2469 -4.2469 -4.2469 0.8761 0.8761 0.8761 0.8761 1.4306 1.4306 1.4306 1.4306 3.4395 3.4395 3.4395 3.4395 4.3625 4.3625 4.3625 4.3625 4.8743 4.8743 4.8743 4.8743 5.3005 5.3005 5.3005 5.3005 6.1416 6.1416 6.1416 6.1416 6.2678 6.2678 6.2678 6.2678 9.7385 9.7385 9.7385 9.7385 15.1911 15.1911 15.1911 15.1911 15.7708 15.7708 k = 0.5101-0.3221-0.2219 ( 3341 PWs) bands (ev): -13.1500 -13.1500 -13.1457 -13.1457 -10.7678 -10.7678 -10.7245 -10.7245 -10.6405 -10.6405 -10.5848 -10.5848 -4.2558 -4.2558 -4.2338 -4.2338 0.8466 0.8466 0.9033 0.9033 1.3681 1.3681 1.4926 1.4926 3.4280 3.4280 3.4481 3.4481 4.3443 4.3443 4.3841 4.3841 4.8470 4.8470 4.8975 4.8975 5.3016 5.3016 5.3040 5.3040 6.1271 6.1271 6.1549 6.1549 6.2591 6.2591 6.2749 6.2749 9.7247 9.7247 9.7557 9.7557 15.1501 15.1501 15.2272 15.2272 15.7337 15.7337 k = 0.5202-0.3118-0.2148 ( 3347 PWs) bands (ev): -13.1505 -13.1505 -13.1417 -13.1417 -10.7915 -10.7915 -10.7133 -10.7133 -10.6615 -10.6615 -10.5584 -10.5584 -4.2604 -4.2604 -4.2164 -4.2164 0.8152 0.8152 0.9272 0.9272 1.3057 1.3057 1.5536 1.5536 3.4137 3.4137 3.4537 3.4537 4.3296 4.3296 4.4086 4.4086 4.8165 4.8165 4.9160 4.9160 5.3068 5.3068 5.3121 5.3121 6.1116 6.1116 6.1669 6.1669 6.2492 6.2492 6.2803 6.2803 9.7143 9.7143 9.7762 9.7762 15.1052 15.1052 15.2575 15.2575 15.6977 15.6977 k = 0.5303-0.3015-0.2077 ( 3341 PWs) bands (ev): -13.1498 -13.1498 -13.1365 -13.1365 -10.8157 -10.8157 -10.7285 -10.7285 -10.6585 -10.6585 -10.5336 -10.5336 -4.2609 -4.2609 -4.1949 -4.1949 0.7822 0.7822 0.9461 0.9461 1.2453 1.2453 1.6133 1.6133 3.3967 3.3967 3.4566 3.4566 4.3184 4.3184 4.4356 4.4356 4.7837 4.7837 4.9297 4.9297 5.3154 5.3154 5.3251 5.3251 6.0952 6.0952 6.1775 6.1775 6.2383 6.2383 6.2838 6.2838 9.7075 9.7075 9.7998 9.7998 15.0571 15.0571 15.2807 15.2807 15.6633 15.6633 k = 0.5404-0.2912-0.2006 ( 3339 PWs) bands (ev): -13.1481 -13.1481 -13.1300 -13.1300 -10.8402 -10.8402 -10.7601 -10.7601 -10.6417 -10.6417 -10.5106 -10.5106 -4.2571 -4.2571 -4.1694 -4.1694 0.7478 0.7478 0.9561 0.9561 1.1907 1.1907 1.6716 1.6716 3.3774 3.3774 3.4570 3.4570 4.3106 4.3106 4.4644 4.4644 4.7494 4.7494 4.9391 4.9391 5.3262 5.3262 5.3429 5.3429 6.0780 6.0780 6.1863 6.1863 6.2270 6.2270 6.2852 6.2852 9.7043 9.7043 9.8265 9.8265 15.0063 15.0063 15.2955 15.2955 15.6310 15.6310 k = 0.5505-0.2809-0.1935 ( 3339 PWs) bands (ev): -13.1455 -13.1455 -13.1222 -13.1222 -10.8650 -10.8650 -10.7964 -10.7964 -10.6229 -10.6229 -10.4892 -10.4892 -4.2493 -4.2493 -4.1398 -4.1398 0.7122 0.7122 0.9499 0.9499 1.1491 1.1491 1.7285 1.7285 3.3561 3.3561 3.4552 3.4552 4.3057 4.3057 4.4943 4.4943 4.7146 4.7146 4.9451 4.9451 5.3384 5.3384 5.3650 5.3650 6.0600 6.0600 6.1923 6.1923 6.2162 6.2162 6.2845 6.2845 9.7048 9.7048 9.8560 9.8560 14.9531 14.9531 15.3008 15.3008 15.6016 15.6016 k = 0.5606-0.2706-0.1864 ( 3334 PWs) bands (ev): -13.1419 -13.1419 -13.1131 -13.1131 -10.8902 -10.8902 -10.8346 -10.8346 -10.6046 -10.6046 -10.4690 -10.4690 -4.2375 -4.2375 -4.1064 -4.1064 0.6753 0.6753 0.9202 0.9202 1.1279 1.1279 1.7839 1.7839 3.3334 3.3334 3.4515 3.4515 4.3032 4.3032 4.5244 4.5244 4.6800 4.6800 4.9490 4.9490 5.3515 5.3515 5.3902 5.3902 6.0414 6.0414 6.1920 6.1920 6.2100 6.2100 6.2816 6.2816 9.7091 9.7091 9.8883 9.8883 14.8978 14.8978 15.2961 15.2961 15.5756 15.5756 k = 0.5707-0.2603-0.1793 ( 3336 PWs) bands (ev): -13.1374 -13.1374 -13.1026 -13.1026 -10.9165 -10.9165 -10.8732 -10.8732 -10.5879 -10.5879 -10.4498 -10.4498 -4.2219 -4.2219 -4.0692 -4.0692 0.6371 0.6371 0.8698 0.8698 1.1242 1.1242 1.8380 1.8380 3.3098 3.3098 3.4462 3.4462 4.3023 4.3023 4.5537 4.5537 4.6467 4.6467 4.9521 4.9521 5.3650 5.3650 5.4175 5.4175 6.0222 6.0222 6.1833 6.1833 6.2105 6.2105 6.2766 6.2766 9.7171 9.7171 9.9232 9.9232 14.8404 14.8404 15.2818 15.2818 15.5530 15.5530 k = 0.5808-0.2500-0.1722 ( 3337 PWs) bands (ev): -13.1323 -13.1323 -13.0909 -13.0909 -10.9457 -10.9457 -10.9100 -10.9100 -10.5735 -10.5735 -10.4310 -10.4310 -4.2026 -4.2026 -4.0285 -4.0285 0.5974 0.5974 0.8078 0.8078 1.1293 1.1293 1.8908 1.8908 3.2857 3.2857 3.4396 3.4396 4.3018 4.3018 4.5808 4.5808 4.6164 4.6164 4.9558 4.9558 5.3786 5.3786 5.4459 5.4459 6.0024 6.0024 6.1721 6.1721 6.2122 6.2122 6.2694 6.2694 9.7289 9.7289 9.9607 9.9607 14.7812 14.7812 15.2593 15.2593 15.5330 15.5330 k = 0.5909-0.2397-0.1651 ( 3339 PWs) bands (ev): -13.1264 -13.1264 -13.0777 -13.0777 -10.9803 -10.9803 -10.9422 -10.9422 -10.5619 -10.5619 -10.4123 -10.4123 -4.1801 -4.1801 -3.9842 -3.9842 0.5560 0.5560 0.7404 0.7404 1.1372 1.1372 1.9424 1.9424 3.2617 3.2617 3.4320 3.4320 4.3004 4.3004 4.5853 4.5853 4.6100 4.6100 4.9613 4.9613 5.3920 5.3920 5.4744 5.4744 5.9823 5.9823 6.1608 6.1608 6.2128 6.2128 6.2601 6.2601 9.7445 9.7445 10.0005 10.0005 14.7202 14.7202 15.2305 15.2305 15.5143 15.5143 k = 0.6011-0.2294-0.1580 ( 3336 PWs) bands (ev): -13.1200 -13.1200 -13.0633 -13.0633 -11.0200 -11.0200 -10.9694 -10.9694 -10.5536 -10.5536 -10.3932 -10.3932 -4.1544 -4.1544 -3.9366 -3.9366 0.5123 0.5123 0.6713 0.6713 1.1448 1.1448 1.9928 1.9928 3.2380 3.2380 3.4238 3.4238 4.2965 4.2965 4.5642 4.5642 4.6310 4.6310 4.9695 4.9695 5.4049 5.4049 5.5025 5.5025 5.9618 5.9618 6.1501 6.1501 6.2119 6.2119 6.2489 6.2489 9.7636 9.7636 10.0426 10.0426 14.6575 14.6575 15.1975 15.1975 15.4958 15.4958 k = 0.6112-0.2191-0.1509 ( 3338 PWs) bands (ev): -13.1132 -13.1132 -13.0475 -13.0475 -11.0625 -11.0625 -10.9940 -10.9940 -10.5486 -10.5486 -10.3736 -10.3736 -4.1259 -4.1259 -3.8859 -3.8859 0.4652 0.4652 0.6029 0.6029 1.1506 1.1506 2.0424 2.0424 3.2152 3.2152 3.4151 3.4151 4.2882 4.2882 4.5487 4.5487 4.6496 4.6496 4.9810 4.9810 5.4171 5.4171 5.5294 5.5294 5.9410 5.9410 6.1405 6.1405 6.2095 6.2095 6.2360 6.2360 9.7862 9.7862 10.0867 10.0867 14.5931 14.5931 15.1619 15.1619 15.4766 15.4766 k = 0.6213-0.2088-0.1438 ( 3338 PWs) bands (ev): -13.1062 -13.1062 -13.0303 -13.0303 -11.1062 -11.1062 -11.0170 -11.0170 -10.5471 -10.5471 -10.3534 -10.3534 -4.0950 -4.0950 -3.8322 -3.8322 0.4135 0.4135 0.5377 0.5377 1.1538 1.1538 2.0911 2.0911 3.1935 3.1935 3.4062 3.4062 4.2745 4.2745 4.5408 4.5408 4.6645 4.6645 4.9959 4.9959 5.4283 5.4283 5.5547 5.5547 5.9200 5.9200 6.1320 6.1320 6.2053 6.2053 6.2216 6.2216 9.8120 9.8120 10.1327 10.1327 14.5272 14.5272 15.1250 15.1250 15.4563 15.4563 k = 0.6314-0.1985-0.1367 ( 3338 PWs) bands (ev): -13.0990 -13.0990 -13.0118 -13.0118 -11.1501 -11.1501 -11.0391 -11.0391 -10.5490 -10.5490 -10.3326 -10.3326 -4.0621 -4.0621 -3.7756 -3.7756 0.3557 0.3557 0.4778 0.4778 1.1538 1.1538 2.1392 2.1392 3.1732 3.1732 3.3975 3.3975 4.2554 4.2554 4.5405 4.5405 4.6760 4.6760 5.0140 5.0140 5.4382 5.4382 5.5780 5.5780 5.8990 5.8990 6.1247 6.1247 6.1985 6.1985 6.2073 6.2073 9.8409 9.8409 10.1805 10.1805 14.4601 14.4601 15.0876 15.0876 15.4346 15.4346 k = 0.6415-0.1882-0.1296 ( 3331 PWs) bands (ev): -13.0918 -13.0918 -12.9919 -12.9919 -11.1939 -11.1939 -11.0605 -11.0605 -10.5540 -10.5540 -10.3113 -10.3113 -4.0277 -4.0277 -3.7163 -3.7163 0.2921 0.2921 0.4237 0.4237 1.1500 1.1500 2.1869 2.1869 3.1543 3.1543 3.3890 3.3890 4.2316 4.2316 4.5469 4.5469 4.6846 4.6846 5.0345 5.0345 5.4466 5.4466 5.5991 5.5991 5.8782 5.8782 6.1185 6.1185 6.1851 6.1851 6.1977 6.1977 9.8723 9.8723 10.2300 10.2300 14.3919 14.3919 15.0506 15.0506 15.4114 15.4114 k = 0.6516-0.1778-0.1225 ( 3331 PWs) bands (ev): -13.0849 -13.0849 -12.9707 -12.9707 -11.2369 -11.2369 -11.0811 -11.0811 -10.5620 -10.5620 -10.2898 -10.2898 -3.9922 -3.9922 -3.6546 -3.6546 0.2244 0.2244 0.3743 0.3743 1.1422 1.1422 2.2342 2.2342 3.1370 3.1370 3.3810 3.3810 4.2047 4.2047 4.5586 4.5586 4.6908 4.6908 5.0567 5.0567 5.4531 5.4531 5.6180 5.6180 5.8579 5.8579 6.1129 6.1129 6.1674 6.1674 6.1913 6.1913 9.9061 9.9061 10.2809 10.2809 14.3230 14.3230 15.0143 15.0143 15.3869 15.3869 k = 0.6617-0.1675-0.1154 ( 3333 PWs) bands (ev): -13.0785 -13.0785 -12.9482 -12.9482 -11.2789 -11.2789 -11.1011 -11.1011 -10.5726 -10.5726 -10.2681 -10.2681 -3.9563 -3.9563 -3.5905 -3.5905 0.1546 0.1546 0.3281 0.3281 1.1300 1.1300 2.2814 2.2814 3.1213 3.1213 3.3737 3.3737 4.1756 4.1756 4.5744 4.5744 4.6953 4.6953 5.0799 5.0799 5.4572 5.4572 5.6345 5.6345 5.8383 5.8383 6.1073 6.1073 6.1485 6.1485 6.1861 6.1861 9.9416 9.9416 10.3332 10.3332 14.2537 14.2537 14.9791 14.9791 15.3611 15.3611 k = 0.6718-0.1572-0.1083 ( 3333 PWs) bands (ev): -13.0728 -13.0728 -12.9243 -12.9243 -11.3194 -11.3194 -11.1204 -11.1204 -10.5857 -10.5857 -10.2465 -10.2465 -3.9206 -3.9206 -3.5242 -3.5242 0.0847 0.0847 0.2840 0.2840 1.1133 1.1133 2.3286 2.3286 3.1072 3.1072 3.3672 3.3672 4.1454 4.1454 4.5933 4.5933 4.6986 4.6986 5.1032 5.1032 5.4586 5.4586 5.6488 5.6488 5.8199 5.8199 6.1011 6.1011 6.1289 6.1289 6.1826 6.1826 9.9783 9.9783 10.3866 10.3866 14.1845 14.1845 14.9452 14.9452 15.3340 15.3340 k = 0.6819-0.1469-0.1012 ( 3328 PWs) bands (ev): -13.0679 -13.0679 -12.8992 -12.8992 -11.3581 -11.3581 -11.1391 -11.1391 -10.6010 -10.6010 -10.2249 -10.2249 -3.8856 -3.8856 -3.4559 -3.4559 0.0160 0.0160 0.2414 0.2414 1.0920 1.0920 2.3759 2.3759 3.0948 3.0948 3.3617 3.3617 4.1149 4.1149 4.6145 4.6145 4.7011 4.7011 5.1262 5.1262 5.4566 5.4566 5.6609 5.6609 5.8033 5.8033 6.0936 6.0936 6.1090 6.1090 6.1814 6.1814 10.0156 10.0156 10.4411 10.4411 14.1158 14.1158 14.9129 14.9129 15.3059 15.3059 k = 0.6920-0.1366-0.0941 ( 3332 PWs) bands (ev): -13.0643 -13.0643 -12.8728 -12.8728 -11.3947 -11.3947 -11.1571 -11.1571 -10.6184 -10.6184 -10.2035 -10.2035 -3.8522 -3.8522 -3.3857 -3.3857 -0.0505 -0.0505 0.2001 0.2001 1.0660 1.0660 2.4234 2.4234 3.0838 3.0838 3.3573 3.3573 4.0845 4.0845 4.6374 4.6374 4.7029 4.7029 5.1482 5.1482 5.4507 5.4507 5.6710 5.6710 5.7890 5.7890 6.0846 6.0846 6.0892 6.0892 6.1825 6.1825 10.0529 10.0529 10.4965 10.4965 14.0481 14.0481 14.8823 14.8823 15.2766 15.2766 k = 0.7021-0.1263-0.0870 ( 3330 PWs) bands (ev): -13.0622 -13.0622 -12.8450 -12.8450 -11.4286 -11.4286 -11.1744 -11.1744 -10.6376 -10.6376 -10.1824 -10.1824 -3.8212 -3.8212 -3.3138 -3.3138 -0.1140 -0.1140 0.1599 0.1599 1.0353 1.0353 2.4713 2.4713 3.0742 3.0742 3.3540 3.3540 4.0547 4.0547 4.6615 4.6615 4.7043 4.7043 5.1691 5.1691 5.4405 5.4405 5.6792 5.6792 5.7773 5.7773 6.0688 6.0688 6.0757 6.0757 6.1858 6.1858 10.0893 10.0893 10.5527 10.5527 13.9820 13.9820 14.8537 14.8537 15.2464 15.2464 k = 0.7122-0.1160-0.0799 ( 3322 PWs) bands (ev): -13.0617 -13.0617 -12.8161 -12.8161 -11.4595 -11.4595 -11.1909 -11.1909 -10.6585 -10.6585 -10.1616 -10.1616 -3.7932 -3.7932 -3.2404 -3.2404 -0.1735 -0.1735 0.1209 0.1209 1.0001 1.0001 2.5195 2.5195 3.0658 3.0658 3.3519 3.3519 4.0257 4.0257 4.6857 4.6857 4.7062 4.7062 5.1887 5.1887 5.4258 5.4258 5.6857 5.6857 5.7685 5.7685 6.0495 6.0495 6.0659 6.0659 6.1907 6.1907 10.1241 10.1241 10.6095 10.6095 13.9179 13.9179 14.8271 14.8271 15.2153 15.2153 k = 0.7223-0.1057-0.0728 ( 3326 PWs) bands (ev): -13.0633 -13.0633 -12.7859 -12.7859 -11.4872 -11.4872 -11.2068 -11.2068 -10.6808 -10.6808 -10.1413 -10.1413 -3.7691 -3.7691 -3.1656 -3.1656 -0.2285 -0.2285 0.0834 0.0834 0.9604 0.9604 2.5681 2.5681 3.0584 3.0584 3.3510 3.3510 3.9978 3.9978 4.6996 4.6996 4.7185 4.7185 5.2067 5.2067 5.4066 5.4066 5.6903 5.6903 5.7627 5.7627 6.0307 6.0307 6.0568 6.0568 6.1966 6.1966 10.1565 10.1565 10.6668 10.6668 13.8563 13.8563 14.8029 14.8029 15.1833 15.1833 k = 0.7324-0.0954-0.0657 ( 3328 PWs) bands (ev): -13.0672 -13.0672 -12.7545 -12.7545 -11.5113 -11.5113 -11.2219 -11.2219 -10.7044 -10.7044 -10.1214 -10.1214 -3.7498 -3.7498 -3.0896 -3.0896 -0.2785 -0.2785 0.0476 0.0476 0.9165 0.9165 2.6171 2.6171 3.0519 3.0519 3.3514 3.3514 3.9712 3.9712 4.7002 4.7002 4.7440 4.7440 5.2232 5.2232 5.3833 5.3833 5.6931 5.6931 5.7597 5.7597 6.0126 6.0126 6.0490 6.0490 6.2030 6.2030 10.1856 10.1856 10.7246 10.7246 13.7978 13.7978 14.7811 14.7811 15.1504 15.1504 k = 0.7425-0.0851-0.0586 ( 3325 PWs) bands (ev): -13.0734 -13.0734 -12.7220 -12.7220 -11.5314 -11.5314 -11.2363 -11.2363 -10.7292 -10.7292 -10.1021 -10.1021 -3.7359 -3.7359 -3.0126 -3.0126 -0.3231 -0.3231 0.0139 0.0139 0.8685 0.8685 2.6666 2.6666 3.0460 3.0460 3.3530 3.3530 3.9461 3.9461 4.6980 4.6980 4.7717 4.7717 5.2382 5.2382 5.3564 5.3564 5.6940 5.6940 5.7590 5.7590 5.9954 5.9954 6.0432 6.0432 6.2096 6.2096 10.2106 10.2106 10.7826 10.7826 13.7428 13.7428 14.7620 14.7620 15.1167 15.1167 k = 0.7526-0.0748-0.0515 ( 3323 PWs) bands (ev): -13.0824 -13.0824 -12.6883 -12.6883 -11.5474 -11.5474 -11.2499 -11.2499 -10.7549 -10.7549 -10.0834 -10.0834 -3.7283 -3.7283 -2.9346 -2.9346 -0.3621 -0.3621 -0.0169 -0.0169 0.8168 0.8168 2.7164 2.7164 3.0404 3.0404 3.3557 3.3557 3.9226 3.9226 4.6943 4.6943 4.8002 4.8002 5.2515 5.2515 5.3266 5.3266 5.6932 5.6932 5.7601 5.7601 5.9793 5.9793 6.0397 6.0397 6.2160 6.2160 10.2308 10.2308 10.8408 10.8408 13.6917 13.6917 14.7459 14.7459 15.0824 15.0824 k = 0.7627-0.0645-0.0444 ( 3320 PWs) bands (ev): -13.0940 -13.0940 -12.6536 -12.6536 -11.5591 -11.5591 -11.2627 -11.2627 -10.7814 -10.7814 -10.0653 -10.0653 -3.7275 -3.7275 -2.8559 -2.8559 -0.3957 -0.3957 -0.0442 -0.0442 0.7617 0.7617 2.7665 2.7665 3.0351 3.0351 3.3596 3.3596 3.9009 3.9009 4.6889 4.6889 4.8292 4.8292 5.2626 5.2626 5.2954 5.2954 5.6906 5.6906 5.7624 5.7624 5.9647 5.9647 6.0388 6.0388 6.2219 6.2219 10.2454 10.2454 10.8990 10.8990 13.6446 13.6446 14.7329 14.7329 15.0475 15.0475 Writing output data file TeO3.save init_run : 0.21s CPU 0.33s WALL ( 1 calls) electrons : 196.32s CPU 199.16s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 196.31s CPU 199.15s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 286 calls) cegterg : 184.99s CPU 187.37s WALL ( 520 calls) Called by sum_band: Called by *egterg: h_psi : 104.42s CPU 105.95s WALL ( 9062 calls) s_psi : 4.67s CPU 4.72s WALL ( 9062 calls) g_psi : 0.24s CPU 0.22s WALL ( 8256 calls) cdiaghg : 68.66s CPU 69.73s WALL ( 8542 calls) cegterg:over : 6.16s CPU 6.11s WALL ( 8256 calls) cegterg:upda : 5.25s CPU 5.16s WALL ( 8256 calls) cegterg:last : 2.93s CPU 2.95s WALL ( 1288 calls) cdiaghg:chol : 3.64s CPU 3.85s WALL ( 8542 calls) cdiaghg:inve : 2.60s CPU 2.67s WALL ( 8542 calls) cdiaghg:para : 4.22s CPU 4.47s WALL ( 17084 calls) Called by h_psi: h_psi:vloc : 92.45s CPU 94.05s WALL ( 9062 calls) h_psi:vnl : 11.78s CPU 11.69s WALL ( 9062 calls) add_vuspsi : 6.00s CPU 5.81s WALL ( 9062 calls) General routines calbec : 5.76s CPU 5.85s WALL ( 9062 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 86.48s CPU 88.04s WALL ( 885132 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.17s WALL ( 572 calls) Parallel routines fft_scatter : 26.09s CPU 26.51s WALL ( 885155 calls) PWSCF : 3m29.72s CPU 3m47.79s WALL This run was terminated on: 21: 9:43 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=