Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:12:30 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: ./ZnCO3.save/ file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 62 35 10 1755 758 118 Max 63 36 11 1759 775 122 Sum 2237 1293 373 63211 27587 4301 bravais-lattice index = 14 lattice parameter (alat) = 10.7398 a.u. unit-cell volume = 633.6496 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 68.00 number of Kohn-Sham states= 82 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.739828 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.664879 celldm(5)= 0.664879 celldm(6)= 0.664879 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.664879 0.746951 0.000000 ) a(3) = ( 0.664879 0.298299 0.684802 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.890124 -0.583170 ) b(2) = ( 0.000000 1.338776 -0.583170 ) b(3) = ( 0.000000 0.000000 1.460276 ) 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 Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Zn 12.00 65.40900 Zn( 1.00) C 4.00 12.01070 C( 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= 287 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 2) = ( 0.0121951 -0.0108552 -0.0071118), wk = 0.0034843 k( 3) = ( 0.0243902 -0.0217103 -0.0142236), wk = 0.0034843 k( 4) = ( 0.0365854 -0.0325655 -0.0213355), wk = 0.0034843 k( 5) = ( 0.0487805 -0.0434207 -0.0284473), wk = 0.0034843 k( 6) = ( 0.0609756 -0.0542758 -0.0355591), wk = 0.0034843 k( 7) = ( 0.0731707 -0.0651310 -0.0426709), wk = 0.0034843 k( 8) = ( 0.0853658 -0.0759862 -0.0497828), wk = 0.0034843 k( 9) = ( 0.0975610 -0.0868413 -0.0568946), wk = 0.0034843 k( 10) = ( 0.1097561 -0.0976965 -0.0640064), wk = 0.0034843 k( 11) = ( 0.1219512 -0.1085517 -0.0711182), wk = 0.0034843 k( 12) = ( 0.1341463 -0.1194068 -0.0782301), wk = 0.0034843 k( 13) = ( 0.1463415 -0.1302620 -0.0853419), wk = 0.0034843 k( 14) = ( 0.1585366 -0.1411172 -0.0924537), wk = 0.0034843 k( 15) = ( 0.1707317 -0.1519723 -0.0995656), wk = 0.0034843 k( 16) = ( 0.1829268 -0.1628275 -0.1066774), wk = 0.0034843 k( 17) = ( 0.1951219 -0.1736826 -0.1137892), wk = 0.0034843 k( 18) = ( 0.2073171 -0.1845378 -0.1209010), wk = 0.0034843 k( 19) = ( 0.2195122 -0.1953930 -0.1280129), wk = 0.0034843 k( 20) = ( 0.2317073 -0.2062481 -0.1351247), wk = 0.0034843 k( 21) = ( 0.2439024 -0.2171033 -0.1422365), wk = 0.0034843 k( 22) = ( 0.2560976 -0.2279585 -0.1493483), wk = 0.0034843 k( 23) = ( 0.2682927 -0.2388136 -0.1564601), wk = 0.0034843 k( 24) = ( 0.2804878 -0.2496688 -0.1635720), wk = 0.0034843 k( 25) = ( 0.2926829 -0.2605240 -0.1706838), wk = 0.0034843 k( 26) = ( 0.3048781 -0.2713791 -0.1777956), wk = 0.0034843 k( 27) = ( 0.3170732 -0.2822343 -0.1849074), wk = 0.0034843 k( 28) = ( 0.3292683 -0.2930895 -0.1920193), wk = 0.0034843 k( 29) = ( 0.3414634 -0.3039446 -0.1991311), wk = 0.0034843 k( 30) = ( 0.3536585 -0.3147998 -0.2062429), wk = 0.0034843 k( 31) = ( 0.3658537 -0.3256550 -0.2133547), wk = 0.0034843 k( 32) = ( 0.3780488 -0.3365101 -0.2204666), wk = 0.0034843 k( 33) = ( 0.3902439 -0.3473653 -0.2275784), wk = 0.0034843 k( 34) = ( 0.4024390 -0.3582204 -0.2346902), wk = 0.0034843 k( 35) = ( 0.4146341 -0.3690756 -0.2418021), wk = 0.0034843 k( 36) = ( 0.4268293 -0.3799308 -0.2489139), wk = 0.0034843 k( 37) = ( 0.4390244 -0.3907859 -0.2560257), wk = 0.0034843 k( 38) = ( 0.4512195 -0.4016411 -0.2631375), wk = 0.0034843 k( 39) = ( 0.4634146 -0.4124963 -0.2702493), wk = 0.0034843 k( 40) = ( 0.4756098 -0.4233514 -0.2773612), wk = 0.0034843 k( 41) = ( 0.4878049 -0.4342066 -0.2844730), wk = 0.0034843 k( 42) = ( 0.5000000 -0.4450618 -0.2915848), wk = 0.0034843 k( 43) = ( 0.5000000 -0.4450618 -0.2915848), wk = 0.0034843 k( 44) = ( 0.5000000 -0.4351542 -0.3067073), wk = 0.0034843 k( 45) = ( 0.5000000 -0.4252465 -0.3218299), wk = 0.0034843 k( 46) = ( 0.5000000 -0.4153389 -0.3369524), wk = 0.0034843 k( 47) = ( 0.5000000 -0.4054313 -0.3520749), wk = 0.0034843 k( 48) = ( 0.5000000 -0.3955237 -0.3671975), wk = 0.0034843 k( 49) = ( 0.5000000 -0.3856161 -0.3823200), wk = 0.0034843 k( 50) = ( 0.5000000 -0.3757085 -0.3974425), wk = 0.0034843 k( 51) = ( 0.5000000 -0.3658009 -0.4125651), wk = 0.0034843 k( 52) = ( 0.5000000 -0.3558933 -0.4276876), wk = 0.0034843 k( 53) = ( 0.5000000 -0.3459857 -0.4428101), wk = 0.0034843 k( 54) = ( 0.5000000 -0.3360780 -0.4579326), wk = 0.0034843 k( 55) = ( 0.5000000 -0.3261704 -0.4730552), wk = 0.0034843 k( 56) = ( 0.5000000 -0.3162628 -0.4881777), wk = 0.0034843 k( 57) = ( 0.5000000 -0.3063552 -0.5033002), wk = 0.0034843 k( 58) = ( 0.5000000 -0.2964476 -0.5184227), wk = 0.0034843 k( 59) = ( 0.5000000 -0.2865400 -0.5335453), wk = 0.0034843 k( 60) = ( 0.5000000 -0.2766324 -0.5486678), wk = 0.0034843 k( 61) = ( 0.5000000 -0.2667247 -0.5637903), wk = 0.0034843 k( 62) = ( 0.5000000 -0.2568171 -0.5789129), wk = 0.0034843 k( 63) = ( 0.5000000 -0.2469095 -0.5940354), wk = 0.0034843 k( 64) = ( 0.5000000 -0.2370019 -0.6091579), wk = 0.0034843 k( 65) = ( 0.5000000 -0.2270943 -0.6242804), wk = 0.0034843 k( 66) = ( 0.5000000 -0.2171867 -0.6394030), wk = 0.0034843 k( 67) = ( 0.5000000 -0.2072791 -0.6545255), wk = 0.0034843 k( 68) = ( 0.5000000 -0.1973715 -0.6696480), wk = 0.0034843 k( 69) = ( 0.5000000 -0.1874639 -0.6847705), wk = 0.0034843 k( 70) = ( 0.5000000 -0.1775562 -0.6998931), wk = 0.0034843 k( 71) = ( 0.5000000 -0.1676486 -0.7150156), wk = 0.0034843 k( 72) = ( 0.5000000 -0.1577410 -0.7301381), wk = 0.0034843 k( 73) = ( 0.7853854 -0.0297023 -0.4362012), wk = 0.0034843 k( 74) = ( 0.7780678 -0.0231887 -0.4212481), wk = 0.0034843 k( 75) = ( 0.7707503 -0.0166752 -0.4062950), wk = 0.0034843 k( 76) = ( 0.7634327 -0.0101616 -0.3913420), wk = 0.0034843 k( 77) = ( 0.7561151 -0.0036481 -0.3763889), wk = 0.0034843 k( 78) = ( 0.7487975 0.0028654 -0.3614358), wk = 0.0034843 k( 79) = ( 0.7414800 0.0093790 -0.3464828), wk = 0.0034843 k( 80) = ( 0.7341624 0.0158925 -0.3315297), wk = 0.0034843 k( 81) = ( 0.7268448 0.0224061 -0.3165766), wk = 0.0034843 k( 82) = ( 0.7195272 0.0289196 -0.3016236), wk = 0.0034843 k( 83) = ( 0.7122097 0.0354332 -0.2866705), wk = 0.0034843 k( 84) = ( 0.7048921 0.0419467 -0.2717174), wk = 0.0034843 k( 85) = ( 0.6975745 0.0484603 -0.2567643), wk = 0.0034843 k( 86) = ( 0.6902569 0.0549738 -0.2418113), wk = 0.0034843 k( 87) = ( 0.6829394 0.0614874 -0.2268582), wk = 0.0034843 k( 88) = ( 0.6756218 0.0680009 -0.2119051), wk = 0.0034843 k( 89) = ( 0.6683042 0.0745144 -0.1969521), wk = 0.0034843 k( 90) = ( 0.6609866 0.0810280 -0.1819990), wk = 0.0034843 k( 91) = ( 0.6536691 0.0875415 -0.1670459), wk = 0.0034843 k( 92) = ( 0.6463515 0.0940551 -0.1520929), wk = 0.0034843 k( 93) = ( 0.6390339 0.1005686 -0.1371398), wk = 0.0034843 k( 94) = ( 0.6317163 0.1070822 -0.1221867), wk = 0.0034843 k( 95) = ( 0.6243988 0.1135957 -0.1072337), wk = 0.0034843 k( 96) = ( 0.6170812 0.1201093 -0.0922806), wk = 0.0034843 k( 97) = ( 0.6097636 0.1266228 -0.0773275), wk = 0.0034843 k( 98) = ( 0.6024460 0.1331364 -0.0623745), wk = 0.0034843 k( 99) = ( 0.5951285 0.1396499 -0.0474214), wk = 0.0034843 k( 100) = ( 0.5878109 0.1461634 -0.0324683), wk = 0.0034843 k( 101) = ( 0.5804933 0.1526770 -0.0175153), wk = 0.0034843 k( 102) = ( 0.5731757 0.1591905 -0.0025622), wk = 0.0034843 k( 103) = ( 0.5658582 0.1657041 0.0123909), wk = 0.0034843 k( 104) = ( 0.5585406 0.1722176 0.0273439), wk = 0.0034843 k( 105) = ( 0.5512230 0.1787312 0.0422970), wk = 0.0034843 k( 106) = ( 0.5439055 0.1852447 0.0572501), wk = 0.0034843 k( 107) = ( 0.5365879 0.1917583 0.0722032), wk = 0.0034843 k( 108) = ( 0.5292703 0.1982718 0.0871562), wk = 0.0034843 k( 109) = ( 0.5219527 0.2047854 0.1021093), wk = 0.0034843 k( 110) = ( 0.5146352 0.2112989 0.1170623), wk = 0.0034843 k( 111) = ( 0.5073176 0.2178125 0.1320154), wk = 0.0034843 k( 112) = ( 0.5000000 0.2243260 0.1469685), wk = 0.0034843 k( 113) = ( 0.5000000 0.2243260 0.1469685), wk = 0.0034843 k( 114) = ( 0.4843750 0.2173158 0.1423757), wk = 0.0034843 k( 115) = ( 0.4687500 0.2103056 0.1377830), wk = 0.0034843 k( 116) = ( 0.4531250 0.2032954 0.1331902), wk = 0.0034843 k( 117) = ( 0.4375000 0.1962852 0.1285974), wk = 0.0034843 k( 118) = ( 0.4218750 0.1892751 0.1240047), wk = 0.0034843 k( 119) = ( 0.4062500 0.1822649 0.1194119), wk = 0.0034843 k( 120) = ( 0.3906250 0.1752547 0.1148191), wk = 0.0034843 k( 121) = ( 0.3750000 0.1682445 0.1102264), wk = 0.0034843 k( 122) = ( 0.3593750 0.1612343 0.1056336), wk = 0.0034843 k( 123) = ( 0.3437500 0.1542241 0.1010408), wk = 0.0034843 k( 124) = ( 0.3281250 0.1472139 0.0964481), wk = 0.0034843 k( 125) = ( 0.3125000 0.1402037 0.0918553), wk = 0.0034843 k( 126) = ( 0.2968750 0.1331936 0.0872625), wk = 0.0034843 k( 127) = ( 0.2812500 0.1261834 0.0826698), wk = 0.0034843 k( 128) = ( 0.2656250 0.1191732 0.0780770), wk = 0.0034843 k( 129) = ( 0.2500000 0.1121630 0.0734842), wk = 0.0034843 k( 130) = ( 0.2343750 0.1051528 0.0688915), wk = 0.0034843 k( 131) = ( 0.2187500 0.0981426 0.0642987), wk = 0.0034843 k( 132) = ( 0.2031250 0.0911324 0.0597059), wk = 0.0034843 k( 133) = ( 0.1875000 0.0841222 0.0551132), wk = 0.0034843 k( 134) = ( 0.1718750 0.0771121 0.0505204), wk = 0.0034843 k( 135) = ( 0.1562500 0.0701019 0.0459277), wk = 0.0034843 k( 136) = ( 0.1406250 0.0630917 0.0413349), wk = 0.0034843 k( 137) = ( 0.1250000 0.0560815 0.0367421), wk = 0.0034843 k( 138) = ( 0.1093750 0.0490713 0.0321494), wk = 0.0034843 k( 139) = ( 0.0937500 0.0420611 0.0275566), wk = 0.0034843 k( 140) = ( 0.0781250 0.0350509 0.0229638), wk = 0.0034843 k( 141) = ( 0.0625000 0.0280407 0.0183711), wk = 0.0034843 k( 142) = ( 0.0468750 0.0210306 0.0137783), wk = 0.0034843 k( 143) = ( 0.0312500 0.0140204 0.0091855), wk = 0.0034843 k( 144) = ( 0.0156250 0.0070102 0.0045928), wk = 0.0034843 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 147) = ( 0.0072920 -0.0064908 -0.0149008), wk = 0.0034843 k( 148) = ( 0.0145840 -0.0129815 -0.0298016), wk = 0.0034843 k( 149) = ( 0.0218760 -0.0194723 -0.0447023), wk = 0.0034843 k( 150) = ( 0.0291679 -0.0259631 -0.0596031), wk = 0.0034843 k( 151) = ( 0.0364599 -0.0324538 -0.0745039), wk = 0.0034843 k( 152) = ( 0.0437519 -0.0389446 -0.0894047), wk = 0.0034843 k( 153) = ( 0.0510439 -0.0454354 -0.1043054), wk = 0.0034843 k( 154) = ( 0.0583359 -0.0519261 -0.1192062), wk = 0.0034843 k( 155) = ( 0.0656279 -0.0584169 -0.1341070), wk = 0.0034843 k( 156) = ( 0.0729199 -0.0649077 -0.1490078), wk = 0.0034843 k( 157) = ( 0.0802118 -0.0713984 -0.1639086), wk = 0.0034843 k( 158) = ( 0.0875038 -0.0778892 -0.1788093), wk = 0.0034843 k( 159) = ( 0.0947958 -0.0843800 -0.1937101), wk = 0.0034843 k( 160) = ( 0.1020878 -0.0908708 -0.2086109), wk = 0.0034843 k( 161) = ( 0.1093798 -0.0973615 -0.2235117), wk = 0.0034843 k( 162) = ( 0.1166718 -0.1038523 -0.2384125), wk = 0.0034843 k( 163) = ( 0.1239638 -0.1103431 -0.2533132), wk = 0.0034843 k( 164) = ( 0.1312557 -0.1168338 -0.2682140), wk = 0.0034843 k( 165) = ( 0.1385477 -0.1233246 -0.2831148), wk = 0.0034843 k( 166) = ( 0.1458397 -0.1298154 -0.2980156), wk = 0.0034843 k( 167) = ( 0.1531317 -0.1363061 -0.3129163), wk = 0.0034843 k( 168) = ( 0.1604237 -0.1427969 -0.3278171), wk = 0.0034843 k( 169) = ( 0.1677157 -0.1492877 -0.3427179), wk = 0.0034843 k( 170) = ( 0.1750076 -0.1557784 -0.3576187), wk = 0.0034843 k( 171) = ( 0.1822996 -0.1622692 -0.3725195), wk = 0.0034843 k( 172) = ( 0.1895916 -0.1687600 -0.3874202), wk = 0.0034843 k( 173) = ( 0.1968836 -0.1752507 -0.4023210), wk = 0.0034843 k( 174) = ( 0.2041756 -0.1817415 -0.4172218), wk = 0.0034843 k( 175) = ( 0.2114676 -0.1882323 -0.4321226), wk = 0.0034843 k( 176) = ( 0.2187596 -0.1947230 -0.4470233), wk = 0.0034843 k( 177) = ( 0.2260515 -0.2012138 -0.4619241), wk = 0.0034843 k( 178) = ( 0.2333435 -0.2077046 -0.4768249), wk = 0.0034843 k( 179) = ( 0.2406355 -0.2141954 -0.4917257), wk = 0.0034843 k( 180) = ( 0.2479275 -0.2206861 -0.5066265), wk = 0.0034843 k( 181) = ( 0.2552195 -0.2271769 -0.5215272), wk = 0.0034843 k( 182) = ( 0.2625115 -0.2336677 -0.5364280), wk = 0.0034843 k( 183) = ( 0.2698035 -0.2401584 -0.5513288), wk = 0.0034843 k( 184) = ( 0.2770955 -0.2466492 -0.5662296), wk = 0.0034843 k( 185) = ( 0.2843874 -0.2531400 -0.5811304), wk = 0.0034843 k( 186) = ( 0.2916794 -0.2596307 -0.5960311), wk = 0.0034843 k( 187) = ( 0.2989714 -0.2661215 -0.6109319), wk = 0.0034843 k( 188) = ( 0.3062634 -0.2726123 -0.6258327), wk = 0.0034843 k( 189) = ( 0.3135554 -0.2791030 -0.6407335), wk = 0.0034843 k( 190) = ( 0.3208474 -0.2855938 -0.6556342), wk = 0.0034843 k( 191) = ( 0.3281393 -0.2920846 -0.6705350), wk = 0.0034843 k( 192) = ( 0.3354313 -0.2985753 -0.6854358), wk = 0.0034843 k( 193) = ( 0.3427233 -0.3050661 -0.7003366), wk = 0.0034843 k( 194) = ( 0.3500153 -0.3115569 -0.7152374), wk = 0.0034843 k( 195) = ( 0.3573073 -0.3180476 -0.7301381), wk = 0.0034843 k( 196) = ( 0.6426927 -0.0937216 -0.5831696), wk = 0.0034843 k( 197) = ( 0.6355581 -0.0778193 -0.5831696), wk = 0.0034843 k( 198) = ( 0.6284234 -0.0619169 -0.5831696), wk = 0.0034843 k( 199) = ( 0.6212888 -0.0460145 -0.5831696), wk = 0.0034843 k( 200) = ( 0.6141542 -0.0301121 -0.5831696), wk = 0.0034843 k( 201) = ( 0.6070195 -0.0142097 -0.5831696), wk = 0.0034843 k( 202) = ( 0.5998849 0.0016927 -0.5831696), wk = 0.0034843 k( 203) = ( 0.5927503 0.0175950 -0.5831696), wk = 0.0034843 k( 204) = ( 0.5856156 0.0334974 -0.5831696), wk = 0.0034843 k( 205) = ( 0.5784810 0.0493998 -0.5831696), wk = 0.0034843 k( 206) = ( 0.5713464 0.0653022 -0.5831696), wk = 0.0034843 k( 207) = ( 0.5642117 0.0812045 -0.5831696), wk = 0.0034843 k( 208) = ( 0.5570771 0.0971069 -0.5831696), wk = 0.0034843 k( 209) = ( 0.5499424 0.1130093 -0.5831696), wk = 0.0034843 k( 210) = ( 0.5428078 0.1289117 -0.5831696), wk = 0.0034843 k( 211) = ( 0.5356732 0.1448141 -0.5831696), wk = 0.0034843 k( 212) = ( 0.5285385 0.1607165 -0.5831696), wk = 0.0034843 k( 213) = ( 0.5214039 0.1766188 -0.5831696), wk = 0.0034843 k( 214) = ( 0.5142693 0.1925212 -0.5831696), wk = 0.0034843 k( 215) = ( 0.5071346 0.2084236 -0.5831696), wk = 0.0034843 k( 216) = ( 0.5000000 0.2243260 -0.5831696), wk = 0.0034843 k( 217) = ( 0.5000000 0.2243260 -0.5831696), wk = 0.0034843 k( 218) = ( 0.5118911 0.2296609 -0.5709223), wk = 0.0034843 k( 219) = ( 0.5237821 0.2349959 -0.5586749), wk = 0.0034843 k( 220) = ( 0.5356732 0.2403308 -0.5464275), wk = 0.0034843 k( 221) = ( 0.5475642 0.2456658 -0.5341801), wk = 0.0034843 k( 222) = ( 0.5594553 0.2510007 -0.5219328), wk = 0.0034843 k( 223) = ( 0.5713464 0.2563357 -0.5096854), wk = 0.0034843 k( 224) = ( 0.5832374 0.2616706 -0.4974380), wk = 0.0034843 k( 225) = ( 0.5951285 0.2670056 -0.4851907), wk = 0.0034843 k( 226) = ( 0.6070195 0.2723405 -0.4729433), wk = 0.0034843 k( 227) = ( 0.6189106 0.2776755 -0.4606959), wk = 0.0034843 k( 228) = ( 0.6308016 0.2830104 -0.4484485), wk = 0.0034843 k( 229) = ( 0.6426927 0.2883454 -0.4362012), wk = 0.0034843 k( 230) = ( 0.6426927 0.2883454 -0.4362012), wk = 0.0034843 k( 231) = ( 0.6384959 0.2864624 -0.4190491), wk = 0.0034843 k( 232) = ( 0.6342990 0.2845795 -0.4018971), wk = 0.0034843 k( 233) = ( 0.6301022 0.2826966 -0.3847450), wk = 0.0034843 k( 234) = ( 0.6259053 0.2808137 -0.3675930), wk = 0.0034843 k( 235) = ( 0.6217085 0.2789307 -0.3504409), wk = 0.0034843 k( 236) = ( 0.6175116 0.2770478 -0.3332889), wk = 0.0034843 k( 237) = ( 0.6133148 0.2751649 -0.3161368), wk = 0.0034843 k( 238) = ( 0.6091180 0.2732820 -0.2989848), wk = 0.0034843 k( 239) = ( 0.6049211 0.2713991 -0.2818327), wk = 0.0034843 k( 240) = ( 0.6007243 0.2695161 -0.2646807), wk = 0.0034843 k( 241) = ( 0.5965274 0.2676332 -0.2475286), wk = 0.0034843 k( 242) = ( 0.5923306 0.2657503 -0.2303766), wk = 0.0034843 k( 243) = ( 0.5881337 0.2638674 -0.2132245), wk = 0.0034843 k( 244) = ( 0.5839369 0.2619844 -0.1960725), wk = 0.0034843 k( 245) = ( 0.5797400 0.2601015 -0.1789204), wk = 0.0034843 k( 246) = ( 0.5755432 0.2582186 -0.1617684), wk = 0.0034843 k( 247) = ( 0.5713464 0.2563357 -0.1446163), wk = 0.0034843 k( 248) = ( 0.5671495 0.2544528 -0.1274643), wk = 0.0034843 k( 249) = ( 0.5629527 0.2525698 -0.1103122), wk = 0.0034843 k( 250) = ( 0.5587558 0.2506869 -0.0931602), wk = 0.0034843 k( 251) = ( 0.5545590 0.2488040 -0.0760081), wk = 0.0034843 k( 252) = ( 0.5503621 0.2469211 -0.0588561), wk = 0.0034843 k( 253) = ( 0.5461653 0.2450381 -0.0417040), wk = 0.0034843 k( 254) = ( 0.5419684 0.2431552 -0.0245520), wk = 0.0034843 k( 255) = ( 0.5377716 0.2412723 -0.0074000), wk = 0.0034843 k( 256) = ( 0.5335747 0.2393894 0.0097521), wk = 0.0034843 k( 257) = ( 0.5293779 0.2375065 0.0269041), wk = 0.0034843 k( 258) = ( 0.5251811 0.2356235 0.0440562), wk = 0.0034843 k( 259) = ( 0.5209842 0.2337406 0.0612082), wk = 0.0034843 k( 260) = ( 0.5167874 0.2318577 0.0783603), wk = 0.0034843 k( 261) = ( 0.5125905 0.2299748 0.0955123), wk = 0.0034843 k( 262) = ( 0.5083937 0.2280918 0.1126644), wk = 0.0034843 k( 263) = ( 0.5041968 0.2262089 0.1298164), wk = 0.0034843 k( 264) = ( 0.5000000 0.2243260 0.1469685), wk = 0.0034843 k( 265) = ( 0.5000000 -0.4450618 -0.2915848), wk = 0.0034843 k( 266) = ( 0.5129721 -0.4348651 -0.2849044), wk = 0.0034843 k( 267) = ( 0.5259441 -0.4246685 -0.2782241), wk = 0.0034843 k( 268) = ( 0.5389162 -0.4144719 -0.2715437), wk = 0.0034843 k( 269) = ( 0.5518883 -0.4042752 -0.2648633), wk = 0.0034843 k( 270) = ( 0.5648603 -0.3940786 -0.2581829), wk = 0.0034843 k( 271) = ( 0.5778324 -0.3838820 -0.2515025), wk = 0.0034843 k( 272) = ( 0.5908045 -0.3736853 -0.2448221), wk = 0.0034843 k( 273) = ( 0.6037765 -0.3634887 -0.2381417), wk = 0.0034843 k( 274) = ( 0.6167486 -0.3532920 -0.2314614), wk = 0.0034843 k( 275) = ( 0.6297206 -0.3430954 -0.2247810), wk = 0.0034843 k( 276) = ( 0.6426927 -0.3328988 -0.2181006), wk = 0.0034843 k( 277) = ( 0.6556648 -0.3227021 -0.2114202), wk = 0.0034843 k( 278) = ( 0.6686368 -0.3125055 -0.2047398), wk = 0.0034843 k( 279) = ( 0.6816089 -0.3023089 -0.1980594), wk = 0.0034843 k( 280) = ( 0.6945810 -0.2921122 -0.1913790), wk = 0.0034843 k( 281) = ( 0.7075530 -0.2819156 -0.1846987), wk = 0.0034843 k( 282) = ( 0.7205251 -0.2717190 -0.1780183), wk = 0.0034843 k( 283) = ( 0.7334972 -0.2615223 -0.1713379), wk = 0.0034843 k( 284) = ( 0.7464692 -0.2513257 -0.1646575), wk = 0.0034843 k( 285) = ( 0.7594413 -0.2411291 -0.1579771), wk = 0.0034843 k( 286) = ( 0.7724133 -0.2309324 -0.1512967), wk = 0.0034843 k( 287) = ( 0.7853854 -0.2207358 -0.1446163), wk = 0.0034843 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 2) = ( 0.0121951 0.0000000 0.0000000), wk = 0.0034843 k( 3) = ( 0.0243902 0.0000000 0.0000000), wk = 0.0034843 k( 4) = ( 0.0365854 -0.0000000 0.0000000), wk = 0.0034843 k( 5) = ( 0.0487805 -0.0000000 0.0000000), wk = 0.0034843 k( 6) = ( 0.0609756 0.0000000 0.0000000), wk = 0.0034843 k( 7) = ( 0.0731707 0.0000000 0.0000000), wk = 0.0034843 k( 8) = ( 0.0853658 -0.0000000 -0.0000000), wk = 0.0034843 k( 9) = ( 0.0975610 -0.0000000 0.0000000), wk = 0.0034843 k( 10) = ( 0.1097561 -0.0000000 -0.0000000), wk = 0.0034843 k( 11) = ( 0.1219512 0.0000000 0.0000000), wk = 0.0034843 k( 12) = ( 0.1341463 -0.0000000 0.0000000), wk = 0.0034843 k( 13) = ( 0.1463415 0.0000000 0.0000000), wk = 0.0034843 k( 14) = ( 0.1585366 -0.0000000 -0.0000000), wk = 0.0034843 k( 15) = ( 0.1707317 -0.0000000 0.0000000), wk = 0.0034843 k( 16) = ( 0.1829268 -0.0000000 0.0000000), wk = 0.0034843 k( 17) = ( 0.1951219 -0.0000000 -0.0000000), wk = 0.0034843 k( 18) = ( 0.2073171 0.0000000 0.0000000), wk = 0.0034843 k( 19) = ( 0.2195122 -0.0000000 -0.0000000), wk = 0.0034843 k( 20) = ( 0.2317073 0.0000000 0.0000000), wk = 0.0034843 k( 21) = ( 0.2439024 0.0000000 0.0000000), wk = 0.0034843 k( 22) = ( 0.2560976 -0.0000000 -0.0000000), wk = 0.0034843 k( 23) = ( 0.2682927 -0.0000000 0.0000000), wk = 0.0034843 k( 24) = ( 0.2804878 -0.0000000 0.0000000), wk = 0.0034843 k( 25) = ( 0.2926829 -0.0000000 0.0000000), wk = 0.0034843 k( 26) = ( 0.3048781 0.0000000 0.0000000), wk = 0.0034843 k( 27) = ( 0.3170732 -0.0000000 0.0000000), wk = 0.0034843 k( 28) = ( 0.3292683 -0.0000000 -0.0000000), wk = 0.0034843 k( 29) = ( 0.3414634 -0.0000000 -0.0000000), wk = 0.0034843 k( 30) = ( 0.3536585 -0.0000000 0.0000000), wk = 0.0034843 k( 31) = ( 0.3658537 -0.0000000 0.0000000), wk = 0.0034843 k( 32) = ( 0.3780488 0.0000000 0.0000000), wk = 0.0034843 k( 33) = ( 0.3902439 -0.0000000 -0.0000000), wk = 0.0034843 k( 34) = ( 0.4024390 -0.0000000 -0.0000000), wk = 0.0034843 k( 35) = ( 0.4146341 -0.0000000 -0.0000000), wk = 0.0034843 k( 36) = ( 0.4268293 0.0000000 0.0000000), wk = 0.0034843 k( 37) = ( 0.4390244 -0.0000000 0.0000000), wk = 0.0034843 k( 38) = ( 0.4512195 0.0000000 0.0000000), wk = 0.0034843 k( 39) = ( 0.4634146 -0.0000000 -0.0000000), wk = 0.0034843 k( 40) = ( 0.4756098 -0.0000000 -0.0000000), wk = 0.0034843 k( 41) = ( 0.4878049 0.0000000 0.0000000), wk = 0.0034843 k( 42) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034843 k( 43) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034843 k( 44) = ( 0.5000000 0.0074005 -0.0074005), wk = 0.0034843 k( 45) = ( 0.5000000 0.0148010 -0.0148010), wk = 0.0034843 k( 46) = ( 0.5000000 0.0222015 -0.0222015), wk = 0.0034843 k( 47) = ( 0.5000000 0.0296020 -0.0296020), wk = 0.0034843 k( 48) = ( 0.5000000 0.0370025 -0.0370025), wk = 0.0034843 k( 49) = ( 0.5000000 0.0444030 -0.0444030), wk = 0.0034843 k( 50) = ( 0.5000000 0.0518035 -0.0518035), wk = 0.0034843 k( 51) = ( 0.5000000 0.0592040 -0.0592040), wk = 0.0034843 k( 52) = ( 0.5000000 0.0666045 -0.0666045), wk = 0.0034843 k( 53) = ( 0.5000000 0.0740050 -0.0740050), wk = 0.0034843 k( 54) = ( 0.5000000 0.0814055 -0.0814055), wk = 0.0034843 k( 55) = ( 0.5000000 0.0888060 -0.0888060), wk = 0.0034843 k( 56) = ( 0.5000000 0.0962065 -0.0962065), wk = 0.0034843 k( 57) = ( 0.5000000 0.1036070 -0.1036070), wk = 0.0034843 k( 58) = ( 0.5000000 0.1110075 -0.1110076), wk = 0.0034843 k( 59) = ( 0.5000000 0.1184080 -0.1184081), wk = 0.0034843 k( 60) = ( 0.5000000 0.1258085 -0.1258086), wk = 0.0034843 k( 61) = ( 0.5000000 0.1332091 -0.1332091), wk = 0.0034843 k( 62) = ( 0.5000000 0.1406096 -0.1406096), wk = 0.0034843 k( 63) = ( 0.5000000 0.1480101 -0.1480101), wk = 0.0034843 k( 64) = ( 0.5000000 0.1554106 -0.1554106), wk = 0.0034843 k( 65) = ( 0.5000000 0.1628111 -0.1628111), wk = 0.0034843 k( 66) = ( 0.5000000 0.1702116 -0.1702116), wk = 0.0034843 k( 67) = ( 0.5000000 0.1776121 -0.1776121), wk = 0.0034843 k( 68) = ( 0.5000000 0.1850126 -0.1850126), wk = 0.0034843 k( 69) = ( 0.5000000 0.1924131 -0.1924131), wk = 0.0034843 k( 70) = ( 0.5000000 0.1998136 -0.1998136), wk = 0.0034843 k( 71) = ( 0.5000000 0.2072141 -0.2072141), wk = 0.0034843 k( 72) = ( 0.5000000 0.2146146 -0.2146146), wk = 0.0034843 k( 73) = ( 0.7853854 0.5000000 0.2146146), wk = 0.0034843 k( 74) = ( 0.7780678 0.5000000 0.2219322), wk = 0.0034843 k( 75) = ( 0.7707503 0.5000000 0.2292497), wk = 0.0034843 k( 76) = ( 0.7634327 0.5000000 0.2365673), wk = 0.0034843 k( 77) = ( 0.7561151 0.5000000 0.2438849), wk = 0.0034843 k( 78) = ( 0.7487975 0.5000000 0.2512025), wk = 0.0034843 k( 79) = ( 0.7414800 0.5000000 0.2585200), wk = 0.0034843 k( 80) = ( 0.7341624 0.5000000 0.2658376), wk = 0.0034843 k( 81) = ( 0.7268448 0.5000000 0.2731552), wk = 0.0034843 k( 82) = ( 0.7195272 0.5000000 0.2804728), wk = 0.0034843 k( 83) = ( 0.7122097 0.5000000 0.2877903), wk = 0.0034843 k( 84) = ( 0.7048921 0.5000000 0.2951079), wk = 0.0034843 k( 85) = ( 0.6975745 0.5000000 0.3024255), wk = 0.0034843 k( 86) = ( 0.6902569 0.5000000 0.3097431), wk = 0.0034843 k( 87) = ( 0.6829394 0.5000000 0.3170606), wk = 0.0034843 k( 88) = ( 0.6756218 0.5000000 0.3243782), wk = 0.0034843 k( 89) = ( 0.6683042 0.5000000 0.3316958), wk = 0.0034843 k( 90) = ( 0.6609866 0.5000000 0.3390134), wk = 0.0034843 k( 91) = ( 0.6536691 0.5000000 0.3463309), wk = 0.0034843 k( 92) = ( 0.6463515 0.5000000 0.3536485), wk = 0.0034843 k( 93) = ( 0.6390339 0.5000000 0.3609661), wk = 0.0034843 k( 94) = ( 0.6317163 0.5000000 0.3682837), wk = 0.0034843 k( 95) = ( 0.6243988 0.5000000 0.3756012), wk = 0.0034843 k( 96) = ( 0.6170812 0.5000000 0.3829188), wk = 0.0034843 k( 97) = ( 0.6097636 0.5000000 0.3902364), wk = 0.0034843 k( 98) = ( 0.6024460 0.5000000 0.3975540), wk = 0.0034843 k( 99) = ( 0.5951285 0.5000000 0.4048715), wk = 0.0034843 k( 100) = ( 0.5878109 0.5000000 0.4121891), wk = 0.0034843 k( 101) = ( 0.5804933 0.5000000 0.4195067), wk = 0.0034843 k( 102) = ( 0.5731757 0.5000000 0.4268243), wk = 0.0034843 k( 103) = ( 0.5658582 0.5000000 0.4341418), wk = 0.0034843 k( 104) = ( 0.5585406 0.5000000 0.4414594), wk = 0.0034843 k( 105) = ( 0.5512230 0.5000000 0.4487770), wk = 0.0034843 k( 106) = ( 0.5439055 0.5000000 0.4560945), wk = 0.0034843 k( 107) = ( 0.5365879 0.5000000 0.4634121), wk = 0.0034843 k( 108) = ( 0.5292703 0.5000000 0.4707297), wk = 0.0034843 k( 109) = ( 0.5219527 0.5000000 0.4780473), wk = 0.0034843 k( 110) = ( 0.5146352 0.5000000 0.4853649), wk = 0.0034843 k( 111) = ( 0.5073176 0.5000000 0.4926824), wk = 0.0034843 k( 112) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034843 k( 113) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034843 k( 114) = ( 0.4843750 0.4843750 0.4843750), wk = 0.0034843 k( 115) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0034843 k( 116) = ( 0.4531250 0.4531250 0.4531250), wk = 0.0034843 k( 117) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0034843 k( 118) = ( 0.4218750 0.4218750 0.4218750), wk = 0.0034843 k( 119) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0034843 k( 120) = ( 0.3906250 0.3906250 0.3906250), wk = 0.0034843 k( 121) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0034843 k( 122) = ( 0.3593750 0.3593750 0.3593750), wk = 0.0034843 k( 123) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0034843 k( 124) = ( 0.3281250 0.3281250 0.3281250), wk = 0.0034843 k( 125) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0034843 k( 126) = ( 0.2968750 0.2968750 0.2968750), wk = 0.0034843 k( 127) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0034843 k( 128) = ( 0.2656250 0.2656250 0.2656250), wk = 0.0034843 k( 129) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034843 k( 130) = ( 0.2343750 0.2343750 0.2343750), wk = 0.0034843 k( 131) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0034843 k( 132) = ( 0.2031250 0.2031250 0.2031250), wk = 0.0034843 k( 133) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0034843 k( 134) = ( 0.1718750 0.1718750 0.1718750), wk = 0.0034843 k( 135) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0034843 k( 136) = ( 0.1406250 0.1406250 0.1406250), wk = 0.0034843 k( 137) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0034843 k( 138) = ( 0.1093750 0.1093750 0.1093750), wk = 0.0034843 k( 139) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0034843 k( 140) = ( 0.0781250 0.0781250 0.0781250), wk = 0.0034843 k( 141) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0034843 k( 142) = ( 0.0468750 0.0468750 0.0468750), wk = 0.0034843 k( 143) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0034843 k( 144) = ( 0.0156250 0.0156250 0.0156250), wk = 0.0034843 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 147) = ( 0.0072920 -0.0000000 -0.0072920), wk = 0.0034843 k( 148) = ( 0.0145840 -0.0000000 -0.0145840), wk = 0.0034843 k( 149) = ( 0.0218760 -0.0000000 -0.0218760), wk = 0.0034843 k( 150) = ( 0.0291679 -0.0000000 -0.0291679), wk = 0.0034843 k( 151) = ( 0.0364599 -0.0000000 -0.0364599), wk = 0.0034843 k( 152) = ( 0.0437519 -0.0000000 -0.0437519), wk = 0.0034843 k( 153) = ( 0.0510439 0.0000000 -0.0510439), wk = 0.0034843 k( 154) = ( 0.0583359 -0.0000000 -0.0583359), wk = 0.0034843 k( 155) = ( 0.0656279 0.0000000 -0.0656279), wk = 0.0034843 k( 156) = ( 0.0729199 -0.0000000 -0.0729199), wk = 0.0034843 k( 157) = ( 0.0802118 -0.0000000 -0.0802118), wk = 0.0034843 k( 158) = ( 0.0875038 0.0000000 -0.0875038), wk = 0.0034843 k( 159) = ( 0.0947958 0.0000000 -0.0947958), wk = 0.0034843 k( 160) = ( 0.1020878 0.0000000 -0.1020878), wk = 0.0034843 k( 161) = ( 0.1093798 -0.0000000 -0.1093798), wk = 0.0034843 k( 162) = ( 0.1166718 -0.0000000 -0.1166718), wk = 0.0034843 k( 163) = ( 0.1239638 -0.0000000 -0.1239638), wk = 0.0034843 k( 164) = ( 0.1312557 0.0000000 -0.1312557), wk = 0.0034843 k( 165) = ( 0.1385477 0.0000000 -0.1385477), wk = 0.0034843 k( 166) = ( 0.1458397 -0.0000000 -0.1458397), wk = 0.0034843 k( 167) = ( 0.1531317 -0.0000000 -0.1531317), wk = 0.0034843 k( 168) = ( 0.1604237 -0.0000000 -0.1604237), wk = 0.0034843 k( 169) = ( 0.1677157 -0.0000000 -0.1677157), wk = 0.0034843 k( 170) = ( 0.1750076 0.0000000 -0.1750076), wk = 0.0034843 k( 171) = ( 0.1822996 -0.0000000 -0.1822996), wk = 0.0034843 k( 172) = ( 0.1895916 0.0000000 -0.1895916), wk = 0.0034843 k( 173) = ( 0.1968836 -0.0000000 -0.1968836), wk = 0.0034843 k( 174) = ( 0.2041756 0.0000000 -0.2041756), wk = 0.0034843 k( 175) = ( 0.2114676 -0.0000000 -0.2114676), wk = 0.0034843 k( 176) = ( 0.2187596 0.0000000 -0.2187596), wk = 0.0034843 k( 177) = ( 0.2260515 -0.0000000 -0.2260515), wk = 0.0034843 k( 178) = ( 0.2333435 -0.0000000 -0.2333435), wk = 0.0034843 k( 179) = ( 0.2406355 -0.0000000 -0.2406355), wk = 0.0034843 k( 180) = ( 0.2479275 -0.0000000 -0.2479275), wk = 0.0034843 k( 181) = ( 0.2552195 -0.0000000 -0.2552195), wk = 0.0034843 k( 182) = ( 0.2625115 0.0000000 -0.2625115), wk = 0.0034843 k( 183) = ( 0.2698035 -0.0000000 -0.2698035), wk = 0.0034843 k( 184) = ( 0.2770955 -0.0000000 -0.2770955), wk = 0.0034843 k( 185) = ( 0.2843874 0.0000000 -0.2843874), wk = 0.0034843 k( 186) = ( 0.2916794 -0.0000000 -0.2916794), wk = 0.0034843 k( 187) = ( 0.2989714 -0.0000000 -0.2989714), wk = 0.0034843 k( 188) = ( 0.3062634 -0.0000000 -0.3062634), wk = 0.0034843 k( 189) = ( 0.3135554 -0.0000000 -0.3135554), wk = 0.0034843 k( 190) = ( 0.3208474 -0.0000000 -0.3208474), wk = 0.0034843 k( 191) = ( 0.3281393 0.0000000 -0.3281393), wk = 0.0034843 k( 192) = ( 0.3354313 -0.0000000 -0.3354313), wk = 0.0034843 k( 193) = ( 0.3427233 0.0000000 -0.3427233), wk = 0.0034843 k( 194) = ( 0.3500153 -0.0000000 -0.3500153), wk = 0.0034843 k( 195) = ( 0.3573073 -0.0000000 -0.3573073), wk = 0.0034843 k( 196) = ( 0.6426927 0.3573073 0.0000000), wk = 0.0034843 k( 197) = ( 0.6355581 0.3644419 0.0000000), wk = 0.0034843 k( 198) = ( 0.6284234 0.3715766 0.0000000), wk = 0.0034843 k( 199) = ( 0.6212888 0.3787112 0.0000000), wk = 0.0034843 k( 200) = ( 0.6141542 0.3858458 0.0000000), wk = 0.0034843 k( 201) = ( 0.6070195 0.3929805 0.0000000), wk = 0.0034843 k( 202) = ( 0.5998849 0.4001151 0.0000000), wk = 0.0034843 k( 203) = ( 0.5927503 0.4072497 0.0000000), wk = 0.0034843 k( 204) = ( 0.5856156 0.4143844 0.0000000), wk = 0.0034843 k( 205) = ( 0.5784810 0.4215190 0.0000000), wk = 0.0034843 k( 206) = ( 0.5713464 0.4286536 0.0000000), wk = 0.0034843 k( 207) = ( 0.5642117 0.4357883 0.0000000), wk = 0.0034843 k( 208) = ( 0.5570771 0.4429229 -0.0000000), wk = 0.0034843 k( 209) = ( 0.5499424 0.4500575 0.0000000), wk = 0.0034843 k( 210) = ( 0.5428078 0.4571922 0.0000000), wk = 0.0034843 k( 211) = ( 0.5356732 0.4643268 0.0000000), wk = 0.0034843 k( 212) = ( 0.5285385 0.4714615 -0.0000000), wk = 0.0034843 k( 213) = ( 0.5214039 0.4785961 0.0000000), wk = 0.0034843 k( 214) = ( 0.5142693 0.4857307 0.0000000), wk = 0.0034843 k( 215) = ( 0.5071346 0.4928654 0.0000000), wk = 0.0034843 k( 216) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034843 k( 217) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034843 k( 218) = ( 0.5118911 0.5118911 0.0178846), wk = 0.0034843 k( 219) = ( 0.5237821 0.5237821 0.0357691), wk = 0.0034843 k( 220) = ( 0.5356732 0.5356732 0.0536536), wk = 0.0034843 k( 221) = ( 0.5475642 0.5475642 0.0715382), wk = 0.0034843 k( 222) = ( 0.5594553 0.5594553 0.0894227), wk = 0.0034843 k( 223) = ( 0.5713464 0.5713464 0.1073073), wk = 0.0034843 k( 224) = ( 0.5832374 0.5832374 0.1251918), wk = 0.0034843 k( 225) = ( 0.5951285 0.5951285 0.1430764), wk = 0.0034843 k( 226) = ( 0.6070195 0.6070195 0.1609609), wk = 0.0034843 k( 227) = ( 0.6189106 0.6189106 0.1788455), wk = 0.0034843 k( 228) = ( 0.6308016 0.6308016 0.1967300), wk = 0.0034843 k( 229) = ( 0.6426927 0.6426927 0.2146146), wk = 0.0034843 k( 230) = ( 0.6426927 0.6426927 0.2146146), wk = 0.0034843 k( 231) = ( 0.6384959 0.6384959 0.2230083), wk = 0.0034843 k( 232) = ( 0.6342990 0.6342990 0.2314020), wk = 0.0034843 k( 233) = ( 0.6301022 0.6301022 0.2397957), wk = 0.0034843 k( 234) = ( 0.6259053 0.6259053 0.2481894), wk = 0.0034843 k( 235) = ( 0.6217085 0.6217085 0.2565830), wk = 0.0034843 k( 236) = ( 0.6175116 0.6175116 0.2649767), wk = 0.0034843 k( 237) = ( 0.6133148 0.6133148 0.2733704), wk = 0.0034843 k( 238) = ( 0.6091180 0.6091179 0.2817641), wk = 0.0034843 k( 239) = ( 0.6049211 0.6049211 0.2901578), wk = 0.0034843 k( 240) = ( 0.6007243 0.6007243 0.2985515), wk = 0.0034843 k( 241) = ( 0.5965274 0.5965274 0.3069452), wk = 0.0034843 k( 242) = ( 0.5923306 0.5923306 0.3153389), wk = 0.0034843 k( 243) = ( 0.5881337 0.5881337 0.3237325), wk = 0.0034843 k( 244) = ( 0.5839369 0.5839369 0.3321262), wk = 0.0034843 k( 245) = ( 0.5797400 0.5797400 0.3405199), wk = 0.0034843 k( 246) = ( 0.5755432 0.5755432 0.3489136), wk = 0.0034843 k( 247) = ( 0.5713464 0.5713464 0.3573073), wk = 0.0034843 k( 248) = ( 0.5671495 0.5671495 0.3657010), wk = 0.0034843 k( 249) = ( 0.5629527 0.5629527 0.3740947), wk = 0.0034843 k( 250) = ( 0.5587558 0.5587558 0.3824884), wk = 0.0034843 k( 251) = ( 0.5545590 0.5545590 0.3908820), wk = 0.0034843 k( 252) = ( 0.5503621 0.5503621 0.3992757), wk = 0.0034843 k( 253) = ( 0.5461653 0.5461653 0.4076694), wk = 0.0034843 k( 254) = ( 0.5419684 0.5419684 0.4160631), wk = 0.0034843 k( 255) = ( 0.5377716 0.5377716 0.4244568), wk = 0.0034843 k( 256) = ( 0.5335747 0.5335747 0.4328505), wk = 0.0034843 k( 257) = ( 0.5293779 0.5293779 0.4412442), wk = 0.0034843 k( 258) = ( 0.5251811 0.5251811 0.4496379), wk = 0.0034843 k( 259) = ( 0.5209842 0.5209842 0.4580316), wk = 0.0034843 k( 260) = ( 0.5167874 0.5167874 0.4664253), wk = 0.0034843 k( 261) = ( 0.5125905 0.5125905 0.4748189), wk = 0.0034843 k( 262) = ( 0.5083937 0.5083937 0.4832126), wk = 0.0034843 k( 263) = ( 0.5041968 0.5041968 0.4916063), wk = 0.0034843 k( 264) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034843 k( 265) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034843 k( 266) = ( 0.5129721 0.0162412 0.0162412), wk = 0.0034843 k( 267) = ( 0.5259441 0.0324825 0.0324825), wk = 0.0034843 k( 268) = ( 0.5389162 0.0487237 0.0487237), wk = 0.0034843 k( 269) = ( 0.5518883 0.0649650 0.0649650), wk = 0.0034843 k( 270) = ( 0.5648603 0.0812062 0.0812062), wk = 0.0034843 k( 271) = ( 0.5778324 0.0974474 0.0974474), wk = 0.0034843 k( 272) = ( 0.5908045 0.1136887 0.1136887), wk = 0.0034843 k( 273) = ( 0.6037765 0.1299299 0.1299299), wk = 0.0034843 k( 274) = ( 0.6167486 0.1461712 0.1461712), wk = 0.0034843 k( 275) = ( 0.6297206 0.1624124 0.1624124), wk = 0.0034843 k( 276) = ( 0.6426927 0.1786536 0.1786537), wk = 0.0034843 k( 277) = ( 0.6556648 0.1948949 0.1948949), wk = 0.0034843 k( 278) = ( 0.6686368 0.2111361 0.2111361), wk = 0.0034843 k( 279) = ( 0.6816089 0.2273774 0.2273774), wk = 0.0034843 k( 280) = ( 0.6945810 0.2436186 0.2436186), wk = 0.0034843 k( 281) = ( 0.7075530 0.2598598 0.2598598), wk = 0.0034843 k( 282) = ( 0.7205251 0.2761011 0.2761011), wk = 0.0034843 k( 283) = ( 0.7334972 0.2923423 0.2923423), wk = 0.0034843 k( 284) = ( 0.7464692 0.3085836 0.3085836), wk = 0.0034843 k( 285) = ( 0.7594413 0.3248248 0.3248248), wk = 0.0034843 k( 286) = ( 0.7724133 0.3410660 0.3410661), wk = 0.0034843 k( 287) = ( 0.7853854 0.3573073 0.3573073), wk = 0.0034843 Dense grid: 63211 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 27587 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.27 Mb ( 214, 82) NL pseudopotentials 0.29 Mb ( 107, 180) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1756) G-vector shells 0.01 Mb ( 1446) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.07 Mb ( 214, 328) Each subspace H/S matrix 0.10 Mb ( 82, 82) Each matrix 0.45 Mb ( 180, 2, 82) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./ZnCO3.save/charge-density.dat Starting wfc are 100 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.6 secs Computing kpt #: 2 total cpu time spent up to now is 5.6 secs Computing kpt #: 3 total cpu time spent up to now is 6.7 secs Computing kpt #: 4 total cpu time spent up to now is 7.7 secs Computing kpt #: 5 total cpu time spent up to now is 8.8 secs Computing kpt #: 6 total cpu time spent up to now is 9.8 secs Computing kpt #: 7 total cpu time spent up to now is 10.9 secs Computing kpt #: 8 total cpu time spent up to now is 11.9 secs Computing kpt #: 9 total cpu time spent up to now is 13.0 secs Computing kpt #: 10 total cpu time spent up to now is 14.0 secs Computing kpt #: 11 total cpu time spent up to now is 15.1 secs Computing kpt #: 12 total cpu time spent up to now is 16.1 secs Computing kpt #: 13 total cpu time spent up to now is 17.2 secs Computing kpt #: 14 total cpu time spent up to now is 18.3 secs Computing kpt #: 15 total cpu time spent up to now is 19.4 secs Computing kpt #: 16 total cpu time spent up to now is 20.5 secs Computing kpt #: 17 total cpu time spent up to now is 21.6 secs Computing kpt #: 18 total cpu time spent up to now is 22.7 secs Computing kpt #: 19 total cpu time spent up to now is 23.9 secs Computing kpt #: 20 total cpu time spent up to now is 25.0 secs Computing kpt #: 21 total cpu time spent up to now is 26.1 secs Computing kpt #: 22 total cpu time spent up to now is 27.2 secs Computing kpt #: 23 total cpu time spent up to now is 28.3 secs Computing kpt #: 24 total cpu time spent up to now is 29.4 secs Computing kpt #: 25 total cpu time spent up to now is 30.5 secs Computing kpt #: 26 total cpu time spent up to now is 31.5 secs Computing kpt #: 27 total cpu time spent up to now is 32.6 secs Computing kpt #: 28 total cpu time spent up to now is 33.7 secs Computing kpt #: 29 total cpu time spent up to now is 34.8 secs Computing kpt #: 30 total cpu time spent up to now is 35.8 secs Computing kpt #: 31 total cpu time spent up to now is 36.9 secs Computing kpt #: 32 total cpu time spent up to now is 38.0 secs Computing kpt #: 33 total cpu time spent up to now is 39.0 secs Computing kpt #: 34 total cpu time spent up to now is 40.1 secs Computing kpt #: 35 total cpu time spent up to now is 41.2 secs Computing kpt #: 36 total cpu time spent up to now is 42.3 secs Computing kpt #: 37 total cpu time spent up to now is 43.4 secs Computing kpt #: 38 total cpu time spent up to now is 44.5 secs Computing kpt #: 39 total cpu time spent up to now is 45.6 secs Computing kpt #: 40 total cpu time spent up to now is 46.7 secs Computing kpt #: 41 total cpu time spent up to now is 47.8 secs Computing kpt #: 42 total cpu time spent up to now is 48.7 secs Computing kpt #: 43 total cpu time spent up to now is 49.7 secs Computing kpt #: 44 total cpu time spent up to now is 50.8 secs Computing kpt #: 45 total cpu time spent up to now is 51.9 secs Computing kpt #: 46 total cpu time spent up to now is 53.0 secs Computing kpt #: 47 total cpu time spent up to now is 54.1 secs Computing kpt #: 48 total cpu time spent up to now is 55.2 secs Computing kpt #: 49 total cpu time spent up to now is 56.3 secs Computing kpt #: 50 total cpu time spent up to now is 57.5 secs Computing kpt #: 51 total cpu time spent up to now is 58.6 secs Computing kpt #: 52 total cpu time spent up to now is 59.7 secs Computing kpt #: 53 total cpu time spent up to now is 60.8 secs Computing kpt #: 54 total cpu time spent up to now is 61.9 secs Computing kpt #: 55 total cpu time spent up to now is 63.0 secs Computing kpt #: 56 total cpu time spent up to now is 64.1 secs Computing kpt #: 57 total cpu time spent up to now is 65.2 secs Computing kpt #: 58 total cpu time spent up to now is 66.3 secs Computing kpt #: 59 total cpu time spent up to now is 67.4 secs Computing kpt #: 60 total cpu time spent up to now is 68.5 secs Computing kpt #: 61 total cpu time spent up to now is 69.7 secs Computing kpt #: 62 total cpu time spent up to now is 70.7 secs Computing kpt #: 63 total cpu time spent up to now is 72.0 secs Computing kpt #: 64 total cpu time spent up to now is 73.3 secs Computing kpt #: 65 total cpu time spent up to now is 74.4 secs Computing kpt #: 66 total cpu time spent up to now is 75.5 secs Computing kpt #: 67 total cpu time spent up to now is 76.6 secs Computing kpt #: 68 total cpu time spent up to now is 77.8 secs Computing kpt #: 69 total cpu time spent up to now is 78.9 secs Computing kpt #: 70 total cpu time spent up to now is 80.0 secs Computing kpt #: 71 total cpu time spent up to now is 81.1 secs Computing kpt #: 72 total cpu time spent up to now is 82.2 secs Computing kpt #: 73 total cpu time spent up to now is 83.3 secs Computing kpt #: 74 total cpu time spent up to now is 84.5 secs Computing kpt #: 75 total cpu time spent up to now is 85.7 secs Computing kpt #: 76 total cpu time spent up to now is 86.9 secs Computing kpt #: 77 total cpu time spent up to now is 88.0 secs Computing kpt #: 78 total cpu time spent up to now is 89.1 secs Computing kpt #: 79 total cpu time spent up to now is 90.3 secs Computing kpt #: 80 total cpu time spent up to now is 91.4 secs Computing kpt #: 81 total cpu time spent up to now is 92.5 secs Computing kpt #: 82 total cpu time spent up to now is 93.7 secs Computing kpt #: 83 total cpu time spent up to now is 94.9 secs Computing kpt #: 84 total cpu time spent up to now is 96.0 secs Computing kpt #: 85 total cpu time spent up to now is 97.1 secs Computing kpt #: 86 total cpu time spent up to now is 98.2 secs Computing kpt #: 87 total cpu time spent up to now is 99.3 secs Computing kpt #: 88 total cpu time spent up to now is 100.4 secs Computing kpt #: 89 total cpu time spent up to now is 101.6 secs Computing kpt #: 90 total cpu time spent up to now is 102.7 secs Computing kpt #: 91 total cpu time spent up to now is 103.9 secs Computing kpt #: 92 total cpu time spent up to now is 105.0 secs Computing kpt #: 93 total cpu time spent up to now is 106.2 secs Computing kpt #: 94 total cpu time spent up to now is 107.3 secs Computing kpt #: 95 total cpu time spent up to now is 108.5 secs Computing kpt #: 96 total cpu time spent up to now is 109.7 secs Computing kpt #: 97 total cpu time spent up to now is 110.8 secs Computing kpt #: 98 total cpu time spent up to now is 112.0 secs Computing kpt #: 99 total cpu time spent up to now is 113.0 secs Computing kpt #: 100 total cpu time spent up to now is 114.2 secs Computing kpt #: 101 total cpu time spent up to now is 115.3 secs Computing kpt #: 102 total cpu time spent up to now is 116.4 secs Computing kpt #: 103 total cpu time spent up to now is 117.6 secs Computing kpt #: 104 total cpu time spent up to now is 118.7 secs Computing kpt #: 105 total cpu time spent up to now is 119.9 secs Computing kpt #: 106 total cpu time spent up to now is 121.0 secs Computing kpt #: 107 total cpu time spent up to now is 122.2 secs Computing kpt #: 108 total cpu time spent up to now is 123.3 secs Computing kpt #: 109 total cpu time spent up to now is 124.4 secs Computing kpt #: 110 total cpu time spent up to now is 125.5 secs Computing kpt #: 111 total cpu time spent up to now is 126.6 secs Computing kpt #: 112 total cpu time spent up to now is 127.7 secs Computing kpt #: 113 total cpu time spent up to now is 128.8 secs Computing kpt #: 114 total cpu time spent up to now is 129.9 secs Computing kpt #: 115 total cpu time spent up to now is 131.0 secs Computing kpt #: 116 total cpu time spent up to now is 132.1 secs Computing kpt #: 117 total cpu time spent up to now is 133.3 secs Computing kpt #: 118 total cpu time spent up to now is 134.4 secs Computing kpt #: 119 total cpu time spent up to now is 135.5 secs Computing kpt #: 120 total cpu time spent up to now is 136.6 secs Computing kpt #: 121 total cpu time spent up to now is 137.8 secs Computing kpt #: 122 total cpu time spent up to now is 139.0 secs Computing kpt #: 123 total cpu time spent up to now is 140.2 secs Computing kpt #: 124 total cpu time spent up to now is 141.4 secs Computing kpt #: 125 total cpu time spent up to now is 142.5 secs Computing kpt #: 126 total cpu time spent up to now is 143.5 secs Computing kpt #: 127 total cpu time spent up to now is 144.6 secs Computing kpt #: 128 total cpu time spent up to now is 145.6 secs Computing kpt #: 129 total cpu time spent up to now is 146.6 secs Computing kpt #: 130 total cpu time spent up to now is 147.6 secs Computing kpt #: 131 total cpu time spent up to now is 148.6 secs Computing kpt #: 132 total cpu time spent up to now is 149.6 secs Computing kpt #: 133 total cpu time spent up to now is 150.5 secs Computing kpt #: 134 total cpu time spent up to now is 151.5 secs Computing kpt #: 135 total cpu time spent up to now is 152.5 secs Computing kpt #: 136 total cpu time spent up to now is 153.4 secs Computing kpt #: 137 total cpu time spent up to now is 154.4 secs Computing kpt #: 138 total cpu time spent up to now is 155.3 secs Computing kpt #: 139 total cpu time spent up to now is 156.3 secs Computing kpt #: 140 total cpu time spent up to now is 157.2 secs Computing kpt #: 141 total cpu time spent up to now is 158.2 secs Computing kpt #: 142 total cpu time spent up to now is 159.2 secs Computing kpt #: 143 total cpu time spent up to now is 160.2 secs Computing kpt #: 144 total cpu time spent up to now is 161.1 secs Computing kpt #: 145 total cpu time spent up to now is 162.0 secs Computing kpt #: 146 total cpu time spent up to now is 163.0 secs Computing kpt #: 147 total cpu time spent up to now is 164.0 secs Computing kpt #: 148 total cpu time spent up to now is 165.0 secs Computing kpt #: 149 total cpu time spent up to now is 166.1 secs Computing kpt #: 150 total cpu time spent up to now is 167.1 secs Computing kpt #: 151 total cpu time spent up to now is 168.2 secs Computing kpt #: 152 total cpu time spent up to now is 169.1 secs Computing kpt #: 153 total cpu time spent up to now is 170.1 secs Computing kpt #: 154 total cpu time spent up to now is 171.2 secs Computing kpt #: 155 total cpu time spent up to now is 172.2 secs Computing kpt #: 156 total cpu time spent up to now is 173.3 secs Computing kpt #: 157 total cpu time spent up to now is 174.4 secs Computing kpt #: 158 total cpu time spent up to now is 175.6 secs Computing kpt #: 159 total cpu time spent up to now is 177.2 secs Computing kpt #: 160 total cpu time spent up to now is 178.3 secs Computing kpt #: 161 total cpu time spent up to now is 179.4 secs Computing kpt #: 162 total cpu time spent up to now is 180.5 secs Computing kpt #: 163 total cpu time spent up to now is 181.5 secs Computing kpt #: 164 total cpu time spent up to now is 182.6 secs Computing kpt #: 165 total cpu time spent up to now is 183.7 secs Computing kpt #: 166 total cpu time spent up to now is 184.6 secs Computing kpt #: 167 total cpu time spent up to now is 185.6 secs Computing kpt #: 168 total cpu time spent up to now is 186.5 secs Computing kpt #: 169 total cpu time spent up to now is 187.5 secs Computing kpt #: 170 total cpu time spent up to now is 188.4 secs Computing kpt #: 171 total cpu time spent up to now is 189.4 secs Computing kpt #: 172 total cpu time spent up to now is 190.3 secs Computing kpt #: 173 total cpu time spent up to now is 191.3 secs Computing kpt #: 174 total cpu time spent up to now is 192.4 secs Computing kpt #: 175 total cpu time spent up to now is 193.4 secs Computing kpt #: 176 total cpu time spent up to now is 194.4 secs Computing kpt #: 177 total cpu time spent up to now is 195.5 secs Computing kpt #: 178 total cpu time spent up to now is 196.6 secs Computing kpt #: 179 total cpu time spent up to now is 197.7 secs Computing kpt #: 180 total cpu time spent up to now is 198.8 secs Computing kpt #: 181 total cpu time spent up to now is 200.0 secs Computing kpt #: 182 total cpu time spent up to now is 201.2 secs Computing kpt #: 183 total cpu time spent up to now is 202.3 secs Computing kpt #: 184 total cpu time spent up to now is 203.4 secs Computing kpt #: 185 total cpu time spent up to now is 204.6 secs Computing kpt #: 186 total cpu time spent up to now is 205.7 secs Computing kpt #: 187 total cpu time spent up to now is 206.9 secs Computing kpt #: 188 total cpu time spent up to now is 208.0 secs Computing kpt #: 189 total cpu time spent up to now is 209.2 secs Computing kpt #: 190 total cpu time spent up to now is 210.4 secs Computing kpt #: 191 total cpu time spent up to now is 211.5 secs Computing kpt #: 192 total cpu time spent up to now is 212.7 secs Computing kpt #: 193 total cpu time spent up to now is 213.9 secs Computing kpt #: 194 total cpu time spent up to now is 215.0 secs Computing kpt #: 195 total cpu time spent up to now is 216.1 secs Computing kpt #: 196 total cpu time spent up to now is 217.3 secs Computing kpt #: 197 total cpu time spent up to now is 218.4 secs Computing kpt #: 198 total cpu time spent up to now is 219.5 secs Computing kpt #: 199 total cpu time spent up to now is 220.7 secs Computing kpt #: 200 total cpu time spent up to now is 221.9 secs Computing kpt #: 201 total cpu time spent up to now is 223.0 secs Computing kpt #: 202 total cpu time spent up to now is 224.1 secs Computing kpt #: 203 total cpu time spent up to now is 225.3 secs Computing kpt #: 204 total cpu time spent up to now is 226.4 secs Computing kpt #: 205 total cpu time spent up to now is 227.6 secs Computing kpt #: 206 total cpu time spent up to now is 228.7 secs Computing kpt #: 207 total cpu time spent up to now is 229.9 secs Computing kpt #: 208 total cpu time spent up to now is 231.0 secs Computing kpt #: 209 total cpu time spent up to now is 232.1 secs Computing kpt #: 210 total cpu time spent up to now is 233.3 secs Computing kpt #: 211 total cpu time spent up to now is 234.4 secs Computing kpt #: 212 total cpu time spent up to now is 235.6 secs Computing kpt #: 213 total cpu time spent up to now is 236.7 secs Computing kpt #: 214 total cpu time spent up to now is 237.9 secs Computing kpt #: 215 total cpu time spent up to now is 239.0 secs Computing kpt #: 216 total cpu time spent up to now is 240.2 secs Computing kpt #: 217 total cpu time spent up to now is 241.3 secs Computing kpt #: 218 total cpu time spent up to now is 242.4 secs Computing kpt #: 219 total cpu time spent up to now is 243.5 secs Computing kpt #: 220 total cpu time spent up to now is 244.6 secs Computing kpt #: 221 total cpu time spent up to now is 245.7 secs Computing kpt #: 222 total cpu time spent up to now is 246.8 secs Computing kpt #: 223 total cpu time spent up to now is 247.8 secs Computing kpt #: 224 total cpu time spent up to now is 248.9 secs Computing kpt #: 225 total cpu time spent up to now is 249.8 secs Computing kpt #: 226 total cpu time spent up to now is 250.9 secs Computing kpt #: 227 total cpu time spent up to now is 251.8 secs Computing kpt #: 228 total cpu time spent up to now is 252.8 secs Computing kpt #: 229 total cpu time spent up to now is 253.7 secs Computing kpt #: 230 total cpu time spent up to now is 254.7 secs Computing kpt #: 231 total cpu time spent up to now is 255.6 secs Computing kpt #: 232 total cpu time spent up to now is 256.5 secs Computing kpt #: 233 total cpu time spent up to now is 257.6 secs Computing kpt #: 234 total cpu time spent up to now is 258.5 secs Computing kpt #: 235 total cpu time spent up to now is 259.4 secs Computing kpt #: 236 total cpu time spent up to now is 260.3 secs Computing kpt #: 237 total cpu time spent up to now is 261.2 secs Computing kpt #: 238 total cpu time spent up to now is 262.1 secs Computing kpt #: 239 total cpu time spent up to now is 263.0 secs Computing kpt #: 240 total cpu time spent up to now is 264.0 secs Computing kpt #: 241 total cpu time spent up to now is 264.9 secs Computing kpt #: 242 total cpu time spent up to now is 265.8 secs Computing kpt #: 243 total cpu time spent up to now is 266.7 secs Computing kpt #: 244 total cpu time spent up to now is 267.6 secs Computing kpt #: 245 total cpu time spent up to now is 268.5 secs Computing kpt #: 246 total cpu time spent up to now is 269.4 secs Computing kpt #: 247 total cpu time spent up to now is 270.3 secs Computing kpt #: 248 total cpu time spent up to now is 271.2 secs Computing kpt #: 249 total cpu time spent up to now is 272.1 secs Computing kpt #: 250 total cpu time spent up to now is 273.1 secs Computing kpt #: 251 total cpu time spent up to now is 273.9 secs Computing kpt #: 252 total cpu time spent up to now is 274.9 secs Computing kpt #: 253 total cpu time spent up to now is 275.8 secs Computing kpt #: 254 total cpu time spent up to now is 276.7 secs Computing kpt #: 255 total cpu time spent up to now is 277.6 secs Computing kpt #: 256 total cpu time spent up to now is 278.5 secs Computing kpt #: 257 total cpu time spent up to now is 279.5 secs Computing kpt #: 258 total cpu time spent up to now is 280.4 secs Computing kpt #: 259 total cpu time spent up to now is 281.5 secs Computing kpt #: 260 total cpu time spent up to now is 282.8 secs Computing kpt #: 261 total cpu time spent up to now is 283.8 secs Computing kpt #: 262 total cpu time spent up to now is 284.8 secs Computing kpt #: 263 total cpu time spent up to now is 285.9 secs Computing kpt #: 264 total cpu time spent up to now is 287.0 secs Computing kpt #: 265 total cpu time spent up to now is 287.9 secs Computing kpt #: 266 total cpu time spent up to now is 288.9 secs Computing kpt #: 267 total cpu time spent up to now is 289.9 secs Computing kpt #: 268 total cpu time spent up to now is 290.8 secs Computing kpt #: 269 total cpu time spent up to now is 291.7 secs Computing kpt #: 270 total cpu time spent up to now is 292.6 secs Computing kpt #: 271 total cpu time spent up to now is 293.5 secs Computing kpt #: 272 total cpu time spent up to now is 294.5 secs Computing kpt #: 273 total cpu time spent up to now is 295.4 secs Computing kpt #: 274 total cpu time spent up to now is 296.3 secs Computing kpt #: 275 total cpu time spent up to now is 297.2 secs Computing kpt #: 276 total cpu time spent up to now is 298.1 secs Computing kpt #: 277 total cpu time spent up to now is 299.0 secs Computing kpt #: 278 total cpu time spent up to now is 299.9 secs Computing kpt #: 279 total cpu time spent up to now is 300.8 secs Computing kpt #: 280 total cpu time spent up to now is 301.8 secs Computing kpt #: 281 total cpu time spent up to now is 302.7 secs Computing kpt #: 282 total cpu time spent up to now is 303.6 secs Computing kpt #: 283 total cpu time spent up to now is 304.6 secs Computing kpt #: 284 total cpu time spent up to now is 305.5 secs Computing kpt #: 285 total cpu time spent up to now is 306.4 secs Computing kpt #: 286 total cpu time spent up to now is 307.4 secs Computing kpt #: 287 total cpu time spent up to now is 308.3 secs ethr = 1.47E-08, avg # of iterations = 23.0 total cpu time spent up to now is 308.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3483 PWs) bands (ev): -16.1587 -16.1587 -15.6134 -15.6134 -12.6773 -12.6773 -12.6768 -12.6768 -12.4987 -12.4987 -12.4967 -12.4967 -2.7743 -2.7743 -2.3588 -2.3588 -1.3488 -1.3488 -0.7737 -0.7737 -0.7639 -0.7639 -0.6045 -0.6045 -0.6038 -0.6038 1.1595 1.1595 1.2284 1.2284 1.4123 1.4123 1.9157 1.9157 2.0439 2.0439 2.1760 2.1760 2.2744 2.2744 2.2792 2.2792 2.3641 2.3641 3.2480 3.2480 3.3011 3.3011 3.8427 3.8427 3.8690 3.8690 3.9497 3.9497 4.6888 4.6888 4.7062 4.7062 4.8787 4.8787 5.4843 5.4843 5.4959 5.4959 5.8174 5.8174 5.8297 5.8297 10.6440 10.6440 11.2091 11.2091 11.4112 11.4112 15.9325 15.9325 16.2742 16.2742 17.2582 17.2582 17.3777 17.3777 k = 0.0122-0.0109-0.0071 ( 3483 PWs) bands (ev): -16.1583 -16.1583 -15.6134 -15.6134 -12.6774 -12.6774 -12.6769 -12.6769 -12.4990 -12.4990 -12.4970 -12.4970 -2.7733 -2.7733 -2.3585 -2.3585 -1.3478 -1.3478 -0.7733 -0.7733 -0.7635 -0.7635 -0.6051 -0.6051 -0.6033 -0.6033 1.1573 1.1573 1.2258 1.2258 1.4160 1.4160 1.9163 1.9163 2.0445 2.0445 2.1764 2.1764 2.2744 2.2744 2.2792 2.2792 2.3642 2.3642 3.2473 3.2473 3.3005 3.3005 3.8361 3.8361 3.8624 3.8624 3.9615 3.9615 4.6874 4.6874 4.7049 4.7049 4.8801 4.8801 5.4835 5.4835 5.4951 5.4951 5.8173 5.8173 5.8296 5.8296 10.6468 10.6468 11.2091 11.2091 11.4124 11.4124 15.9339 15.9339 16.2713 16.2713 17.2502 17.2502 17.3693 17.3693 k = 0.0244-0.0217-0.0142 ( 3471 PWs) bands (ev): -16.1572 -16.1572 -15.6135 -15.6135 -12.6779 -12.6779 -12.6771 -12.6771 -12.5000 -12.5000 -12.4978 -12.4978 -2.7703 -2.7703 -2.3576 -2.3576 -1.3445 -1.3445 -0.7722 -0.7722 -0.7622 -0.7622 -0.6078 -0.6078 -0.6013 -0.6013 1.1498 1.1498 1.2200 1.2200 1.4261 1.4261 1.9184 1.9184 2.0466 2.0466 2.1777 2.1777 2.2743 2.2743 2.2793 2.2793 2.3646 2.3646 3.2454 3.2454 3.2987 3.2987 3.8168 3.8168 3.8507 3.8507 3.9881 3.9881 4.6834 4.6834 4.7012 4.7012 4.8839 4.8839 5.4806 5.4806 5.4933 5.4933 5.8160 5.8160 5.8304 5.8304 10.6550 10.6550 11.2092 11.2092 11.4162 11.4162 15.9380 15.9380 16.2629 16.2629 17.2211 17.2211 17.3555 17.3555 k = 0.0366-0.0326-0.0213 ( 3470 PWs) bands (ev): -16.1555 -16.1555 -15.6136 -15.6136 -12.6788 -12.6788 -12.6772 -12.6772 -12.5018 -12.5018 -12.4989 -12.4989 -2.7653 -2.7653 -2.3562 -2.3562 -1.3391 -1.3391 -0.7707 -0.7707 -0.7596 -0.7596 -0.6121 -0.6121 -0.5978 -0.5978 1.1354 1.1354 1.2149 1.2149 1.4402 1.4402 1.9214 1.9214 2.0500 2.0500 2.1797 2.1797 2.2741 2.2741 2.2794 2.2794 2.3652 2.3652 3.2421 3.2421 3.2956 3.2956 3.7908 3.7908 3.8371 3.8371 4.0206 4.0206 4.6768 4.6768 4.6953 4.6953 4.8898 4.8898 5.4750 5.4750 5.4912 5.4912 5.8124 5.8124 5.8332 5.8332 10.6686 10.6686 11.2093 11.2093 11.4225 11.4225 15.9443 15.9443 16.2496 16.2496 17.1672 17.1672 17.3512 17.3512 k = 0.0488-0.0434-0.0284 ( 3470 PWs) bands (ev): -16.1530 -16.1530 -15.6139 -15.6139 -12.6802 -12.6802 -12.6773 -12.6773 -12.5046 -12.5046 -12.5004 -12.5004 -2.7583 -2.7583 -2.3542 -2.3542 -1.3316 -1.3316 -0.7692 -0.7692 -0.7558 -0.7558 -0.6179 -0.6179 -0.5931 -0.5931 1.1138 1.1138 1.2131 1.2131 1.4562 1.4562 1.9252 1.9252 2.0547 2.0547 2.1825 2.1825 2.2738 2.2738 2.2795 2.2795 2.3661 2.3661 3.2373 3.2373 3.2914 3.2914 3.7625 3.7625 3.8201 3.8201 4.0561 4.0561 4.6678 4.6678 4.6876 4.6876 4.8973 4.8973 5.4664 5.4664 5.4894 5.4894 5.8061 5.8061 5.8384 5.8384 10.6875 10.6875 11.2095 11.2095 11.4313 11.4313 15.9516 15.9516 16.2327 16.2327 17.0966 17.0966 17.3568 17.3568 k = 0.0610-0.0543-0.0356 ( 3470 PWs) bands (ev): -16.1498 -16.1498 -15.6141 -15.6141 -12.6819 -12.6819 -12.6774 -12.6774 -12.5082 -12.5082 -12.5021 -12.5021 -2.7494 -2.7494 -2.3516 -2.3516 -1.3221 -1.3221 -0.7675 -0.7675 -0.7507 -0.7507 -0.6248 -0.6248 -0.5872 -0.5872 1.0869 1.0869 1.2143 1.2143 1.4726 1.4726 1.9296 1.9296 2.0609 2.0609 2.1860 2.1860 2.2733 2.2733 2.2798 2.2798 2.3672 2.3672 3.2310 3.2310 3.2861 3.2861 3.7336 3.7336 3.7993 3.7993 4.0936 4.0936 4.6568 4.6568 4.6782 4.6782 4.9059 4.9059 5.4550 5.4550 5.4876 5.4876 5.7978 5.7978 5.8454 5.8454 10.7114 10.7114 11.2098 11.2098 11.4424 11.4424 15.9580 15.9580 16.2143 16.2143 17.0177 17.0177 17.3688 17.3688 k = 0.0732-0.0651-0.0427 ( 3467 PWs) bands (ev): -16.1460 -16.1460 -15.6145 -15.6145 -12.6841 -12.6841 -12.6776 -12.6776 -12.5127 -12.5127 -12.5042 -12.5042 -2.7386 -2.7386 -2.3483 -2.3483 -1.3105 -1.3105 -0.7656 -0.7656 -0.7450 -0.7450 -0.6322 -0.6322 -0.5802 -0.5802 1.0564 1.0564 1.2180 1.2180 1.4886 1.4886 1.9340 1.9340 2.0685 2.0685 2.1902 2.1902 2.2729 2.2729 2.2802 2.2802 2.3686 2.3686 3.2229 3.2229 3.2798 3.2798 3.7047 3.7047 3.7749 3.7749 4.1326 4.1326 4.6440 4.6440 4.6670 4.6670 4.9150 4.9150 5.4414 5.4414 5.4858 5.4858 5.7879 5.7879 5.8540 5.8540 10.7402 10.7402 11.2102 11.2102 11.4560 11.4560 15.9602 15.9602 16.1981 16.1981 16.9352 16.9352 17.3852 17.3852 k = 0.0854-0.0760-0.0498 ( 3467 PWs) bands (ev): -16.1414 -16.1414 -15.6150 -15.6150 -12.6865 -12.6865 -12.6778 -12.6778 -12.5179 -12.5179 -12.5066 -12.5066 -2.7261 -2.7261 -2.3443 -2.3443 -1.2970 -1.2970 -0.7635 -0.7635 -0.7396 -0.7396 -0.6392 -0.6392 -0.5722 -0.5722 1.0236 1.0236 1.2233 1.2233 1.5036 1.5036 1.9382 1.9382 2.0775 2.0775 2.1949 2.1949 2.2724 2.2724 2.2807 2.2807 2.3702 2.3702 3.2127 3.2127 3.2726 3.2726 3.6760 3.6760 3.7473 3.7473 4.1730 4.1730 4.6300 4.6300 4.6542 4.6542 4.9241 4.9241 5.4262 5.4262 5.4838 5.4838 5.7765 5.7765 5.8640 5.8640 10.7734 10.7734 11.2108 11.2108 11.4718 11.4718 15.9535 15.9535 16.1887 16.1887 16.8514 16.8514 17.4049 17.4049 k = 0.0976-0.0868-0.0569 ( 3470 PWs) bands (ev): -16.1362 -16.1362 -15.6155 -15.6155 -12.6894 -12.6894 -12.6780 -12.6780 -12.5238 -12.5238 -12.5093 -12.5093 -2.7117 -2.7117 -2.3396 -2.3396 -1.2815 -1.2815 -0.7608 -0.7608 -0.7359 -0.7359 -0.6442 -0.6442 -0.5635 -0.5635 0.9895 0.9895 1.2300 1.2300 1.5174 1.5174 1.9419 1.9419 2.0876 2.0876 2.2000 2.2000 2.2718 2.2718 2.2815 2.2815 2.3722 2.3722 3.2000 3.2000 3.2646 3.2646 3.6475 3.6475 3.7171 3.7171 4.2145 4.2145 4.6149 4.6149 4.6397 4.6397 4.9326 4.9326 5.4098 5.4098 5.4815 5.4815 5.7640 5.7640 5.8753 5.8753 10.8109 10.8109 11.2115 11.2115 11.4898 11.4898 15.9340 15.9340 16.1905 16.1905 16.7679 16.7679 17.4270 17.4270 k = 0.1098-0.0977-0.0640 ( 3466 PWs) bands (ev): -16.1304 -16.1304 -15.6161 -15.6161 -12.6925 -12.6925 -12.6782 -12.6782 -12.5305 -12.5305 -12.5123 -12.5123 -2.6957 -2.6957 -2.3342 -2.3342 -1.2643 -1.2643 -0.7577 -0.7577 -0.7356 -0.7356 -0.6454 -0.6454 -0.5541 -0.5541 0.9547 0.9547 1.2379 1.2379 1.5299 1.5299 1.9449 1.9449 2.0986 2.0986 2.2053 2.2053 2.2713 2.2713 2.2827 2.2827 2.3744 2.3744 3.1845 3.1845 3.2559 3.2559 3.6192 3.6192 3.6850 3.6850 4.2567 4.2567 4.5991 4.5991 4.6239 4.6239 4.9400 4.9400 5.3929 5.3929 5.4789 5.4789 5.7508 5.7508 5.8877 5.8877 10.8523 10.8523 11.2126 11.2126 11.5099 11.5099 15.9011 15.9011 16.2042 16.2042 16.6856 16.6856 17.4511 17.4511 k = 0.1220-0.1086-0.0711 ( 3464 PWs) bands (ev): -16.1239 -16.1239 -15.6169 -15.6169 -12.6961 -12.6961 -12.6784 -12.6784 -12.5378 -12.5378 -12.5155 -12.5155 -2.6782 -2.6782 -2.3280 -2.3280 -1.2454 -1.2454 -0.7540 -0.7540 -0.7398 -0.7398 -0.6414 -0.6414 -0.5442 -0.5442 0.9195 0.9195 1.2468 1.2468 1.5411 1.5411 1.9469 1.9469 2.1103 2.1103 2.2105 2.2105 2.2708 2.2708 2.2845 2.2845 2.3770 2.3770 3.1657 3.1657 3.2464 3.2464 3.5913 3.5913 3.6518 3.6518 4.2991 4.2991 4.5827 4.5827 4.6071 4.6071 4.9455 4.9455 5.3763 5.3763 5.4759 5.4759 5.7371 5.7371 5.9011 5.9011 10.8972 10.8972 11.2139 11.2139 11.5319 11.5319 15.8568 15.8568 16.2275 16.2275 16.6049 16.6049 17.4767 17.4767 k = 0.1341-0.1194-0.0782 ( 3462 PWs) bands (ev): -16.1168 -16.1168 -15.6177 -15.6177 -12.6999 -12.6999 -12.6786 -12.6786 -12.5457 -12.5457 -12.5191 -12.5191 -2.6591 -2.6591 -2.3209 -2.3209 -1.2248 -1.2248 -0.7514 -0.7514 -0.7467 -0.7467 -0.6324 -0.6324 -0.5339 -0.5339 0.8843 0.8843 1.2566 1.2566 1.5510 1.5510 1.9482 1.9482 2.1223 2.1223 2.2152 2.2152 2.2703 2.2703 2.2873 2.2873 2.3798 2.3798 3.1431 3.1431 3.2364 3.2364 3.5635 3.5635 3.6186 3.6186 4.3404 4.3404 4.5661 4.5661 4.5905 4.5905 4.9486 4.9486 5.3608 5.3608 5.4725 5.4725 5.7233 5.7233 5.9154 5.9154 10.9453 10.9453 11.2156 11.2156 11.5559 11.5559 15.8040 15.8040 16.2579 16.2579 16.5265 16.5265 17.5034 17.5034 k = 0.1463-0.1303-0.0853 ( 3461 PWs) bands (ev): -16.1091 -16.1091 -15.6187 -15.6187 -12.7040 -12.7040 -12.6789 -12.6789 -12.5542 -12.5542 -12.5229 -12.5229 -2.6388 -2.6388 -2.3131 -2.3131 -1.2028 -1.2028 -0.7612 -0.7612 -0.7435 -0.7435 -0.6196 -0.6196 -0.5234 -0.5234 0.8494 0.8494 1.2672 1.2672 1.5597 1.5597 1.9486 1.9486 2.1340 2.1340 2.2191 2.2191 2.2697 2.2697 2.2913 2.2913 2.3828 2.3828 3.1161 3.1161 3.2256 3.2256 3.5361 3.5361 3.5862 3.5862 4.3782 4.3782 4.5496 4.5496 4.5763 4.5763 4.9483 4.9483 5.3472 5.3472 5.4685 5.4685 5.7097 5.7097 5.9305 5.9305 10.9960 10.9960 11.2177 11.2177 11.5816 11.5816 15.7445 15.7445 16.2927 16.2927 16.4512 16.4512 17.5307 17.5307 k = 0.1585-0.1411-0.0925 ( 3461 PWs) bands (ev): -16.1009 -16.1009 -15.6199 -15.6199 -12.7084 -12.7084 -12.6791 -12.6791 -12.5631 -12.5631 -12.5269 -12.5269 -2.6171 -2.6171 -2.3044 -2.3044 -1.1794 -1.1794 -0.7747 -0.7747 -0.7377 -0.7377 -0.6040 -0.6040 -0.5129 -0.5129 0.8149 0.8149 1.2787 1.2787 1.5671 1.5671 1.9482 1.9482 2.1453 2.1453 2.2218 2.2218 2.2689 2.2689 2.2966 2.2966 2.3860 2.3860 3.0844 3.0844 3.2140 3.2140 3.5089 3.5089 3.5553 3.5553 4.4065 4.4065 4.5337 4.5337 4.5701 4.5701 4.9440 4.9440 5.3363 5.3363 5.4638 5.4638 5.6967 5.6967 5.9463 5.9463 11.0491 11.0491 11.2203 11.2203 11.6089 11.6089 15.6798 15.6798 16.3263 16.3263 16.3836 16.3836 17.5583 17.5583 k = 0.1707-0.1520-0.0996 ( 3455 PWs) bands (ev): -16.0921 -16.0921 -15.6211 -15.6211 -12.7130 -12.7130 -12.6793 -12.6793 -12.5726 -12.5726 -12.5312 -12.5312 -2.5944 -2.5944 -2.2949 -2.2949 -1.1549 -1.1549 -0.7892 -0.7892 -0.7310 -0.7310 -0.5863 -0.5863 -0.5025 -0.5025 0.7814 0.7814 1.2909 1.2909 1.5734 1.5734 1.9472 1.9472 2.1559 2.1559 2.2235 2.2235 2.2679 2.2679 2.3033 2.3033 2.3894 2.3894 3.0480 3.0480 3.2016 3.2016 3.4822 3.4822 3.5266 3.5266 4.4170 4.4170 4.5179 4.5179 4.5810 4.5810 4.9353 4.9353 5.3286 5.3286 5.4584 5.4584 5.6847 5.6847 5.9628 5.9628 11.1040 11.1040 11.2233 11.2233 11.6377 11.6377 15.6108 15.6108 16.2982 16.2982 16.3835 16.3835 17.5857 17.5857 k = 0.1829-0.1628-0.1067 ( 3454 PWs) bands (ev): -16.0828 -16.0828 -15.6226 -15.6226 -12.7179 -12.7179 -12.6795 -12.6795 -12.5825 -12.5825 -12.5357 -12.5357 -2.5707 -2.5707 -2.2845 -2.2845 -1.1295 -1.1295 -0.8037 -0.8037 -0.7235 -0.7235 -0.5672 -0.5672 -0.4924 -0.4924 0.7487 0.7487 1.3038 1.3038 1.5786 1.5786 1.9456 1.9456 2.1653 2.1653 2.2242 2.2242 2.2668 2.2668 2.3110 2.3110 2.3928 2.3928 3.0069 3.0069 3.1880 3.1880 3.4560 3.4560 3.5003 3.5003 4.4083 4.4083 4.5018 4.5018 4.6108 4.6108 4.9221 4.9221 5.3245 5.3245 5.4519 5.4519 5.6740 5.6740 5.9798 5.9798 11.1602 11.1602 11.2270 11.2270 11.6680 11.6680 15.5380 15.5380 16.2336 16.2336 16.4252 16.4252 17.6124 17.6124 k = 0.1951-0.1737-0.1138 ( 3455 PWs) bands (ev): -16.0729 -16.0729 -15.6242 -15.6242 -12.7230 -12.7230 -12.6797 -12.6797 -12.5927 -12.5927 -12.5403 -12.5403 -2.5462 -2.5462 -2.2734 -2.2734 -1.1035 -1.1035 -0.8177 -0.8177 -0.7152 -0.7152 -0.5469 -0.5469 -0.4828 -0.4828 0.7172 0.7172 1.3172 1.3172 1.5828 1.5828 1.9436 1.9436 2.1735 2.1735 2.2240 2.2240 2.2654 2.2654 2.3193 2.3193 2.3963 2.3963 2.9617 2.9617 3.1733 3.1733 3.4307 3.4307 3.4763 3.4763 4.3876 4.3876 4.4857 4.4857 4.6523 4.6523 4.9046 4.9046 5.3237 5.3237 5.4443 5.4443 5.6650 5.6650 5.9973 5.9973 11.2172 11.2172 11.2315 11.2315 11.6996 11.6996 15.4621 15.4621 16.1700 16.1700 16.4708 16.4708 17.6374 17.6374 k = 0.2073-0.1845-0.1209 ( 3457 PWs) bands (ev): -16.0627 -16.0627 -15.6260 -15.6260 -12.7282 -12.7282 -12.6799 -12.6799 -12.6032 -12.6032 -12.5450 -12.5450 -2.5209 -2.5209 -2.2615 -2.2615 -1.0774 -1.0774 -0.8303 -0.8303 -0.7062 -0.7062 -0.5257 -0.5257 -0.4738 -0.4738 0.6870 0.6870 1.3313 1.3313 1.5858 1.5858 1.9412 1.9412 2.1802 2.1802 2.2235 2.2235 2.2638 2.2638 2.3279 2.3279 2.3997 2.3997 2.9129 2.9129 3.1570 3.1570 3.4063 3.4063 3.4544 3.4544 4.3606 4.3606 4.4700 4.4700 4.6996 4.6996 4.8835 4.8835 5.3258 5.3258 5.4355 5.4355 5.6579 5.6579 6.0152 6.0152 11.2361 11.2361 11.2752 11.2752 11.7327 11.7327 15.3834 15.3834 16.1096 16.1096 16.5178 16.5178 17.6459 17.6459 k = 0.2195-0.1954-0.1280 ( 3454 PWs) bands (ev): -16.0519 -16.0519 -15.6281 -15.6281 -12.7336 -12.7336 -12.6801 -12.6801 -12.6138 -12.6138 -12.5499 -12.5499 -2.4952 -2.4952 -2.2488 -2.2488 -1.0521 -1.0521 -0.8405 -0.8405 -0.6964 -0.6964 -0.5039 -0.5039 -0.4656 -0.4656 0.6582 0.6582 1.3458 1.3458 1.5878 1.5878 1.9387 1.9387 2.1849 2.1849 2.2230 2.2230 2.2621 2.2621 2.3362 2.3362 2.4030 2.4030 2.8616 2.8616 3.1392 3.1392 3.3828 3.3828 3.4342 3.4342 4.3303 4.3303 4.4548 4.4548 4.7497 4.7497 4.8596 4.8596 5.3303 5.3303 5.4252 5.4252 5.6532 5.6532 6.0335 6.0335 11.2418 11.2418 11.3325 11.3325 11.7671 11.7671 15.3022 15.3022 16.0527 16.0527 16.5654 16.5654 17.5864 17.5864 k = 0.2317-0.2062-0.1351 ( 3448 PWs) bands (ev): -16.0408 -16.0408 -15.6303 -15.6303 -12.7391 -12.7391 -12.6803 -12.6803 -12.6247 -12.6247 -12.5549 -12.5549 -2.4690 -2.4690 -2.2355 -2.2355 -1.0289 -1.0289 -0.8468 -0.8468 -0.6861 -0.6861 -0.4817 -0.4817 -0.4582 -0.4582 0.6311 0.6311 1.3609 1.3609 1.5887 1.5887 1.9359 1.9359 2.1873 2.1873 2.2230 2.2230 2.2602 2.2602 2.3439 2.3439 2.4061 2.4061 2.8087 2.8087 3.1195 3.1195 3.3605 3.3605 3.4154 3.4154 4.2981 4.2981 4.4402 4.4402 4.8005 4.8005 4.8343 4.8343 5.3364 5.3364 5.4135 5.4135 5.6510 5.6510 6.0520 6.0520 11.2482 11.2482 11.3889 11.3889 11.8032 11.8032 15.2190 15.2190 15.9998 15.9998 16.6133 16.6133 17.5175 17.5175 k = 0.2439-0.2171-0.1422 ( 3444 PWs) bands (ev): -16.0293 -16.0293 -15.6328 -15.6328 -12.7448 -12.7448 -12.6806 -12.6806 -12.6355 -12.6355 -12.5600 -12.5600 -2.4426 -2.4426 -2.2217 -2.2217 -1.0096 -1.0096 -0.8473 -0.8473 -0.6752 -0.6752 -0.4605 -0.4605 -0.4505 -0.4505 0.6055 0.6055 1.3764 1.3764 1.5885 1.5885 1.9331 1.9331 2.1871 2.1871 2.2237 2.2237 2.2583 2.2583 2.3508 2.3508 2.4091 2.4091 2.7554 2.7554 3.0977 3.0977 3.3393 3.3393 3.3976 3.3976 4.2651 4.2651 4.4263 4.4263 4.8054 4.8054 4.8543 4.8543 5.3438 5.3438 5.4005 5.4005 5.6515 5.6515 6.0705 6.0705 11.2555 11.2555 11.4436 11.4436 11.8411 11.8411 15.1339 15.1339 15.9511 15.9511 16.6608 16.6608 17.4472 17.4472 k = 0.2561-0.2280-0.1493 ( 3445 PWs) bands (ev): -16.0175 -16.0175 -15.6356 -15.6356 -12.7504 -12.7504 -12.6810 -12.6810 -12.6463 -12.6463 -12.5651 -12.5651 -2.4161 -2.4161 -2.2073 -2.2073 -0.9961 -0.9961 -0.8399 -0.8399 -0.6639 -0.6639 -0.4494 -0.4494 -0.4337 -0.4337 0.5817 0.5817 1.3921 1.3921 1.5872 1.5872 1.9302 1.9302 2.1845 2.1845 2.2249 2.2249 2.2564 2.2564 2.3563 2.3563 2.4116 2.4116 2.7029 2.7029 3.0740 3.0740 3.3192 3.3192 3.3802 3.3802 4.2319 4.2319 4.4128 4.4128 4.7786 4.7786 4.9055 4.9055 5.3515 5.3515 5.3863 5.3863 5.6548 5.6548 6.0891 6.0891 11.2636 11.2636 11.4959 11.4959 11.8812 11.8812 15.0471 15.0471 15.9067 15.9067 16.7076 16.7076 17.3762 17.3762 k = 0.2683-0.2388-0.1565 ( 3449 PWs) bands (ev): -16.0053 -16.0053 -15.6386 -15.6386 -12.7560 -12.7560 -12.6818 -12.6818 -12.6565 -12.6565 -12.5702 -12.5702 -2.3897 -2.3897 -2.1927 -2.1927 -0.9891 -0.9891 -0.8239 -0.8239 -0.6525 -0.6525 -0.4451 -0.4451 -0.4112 -0.4112 0.5594 0.5594 1.4081 1.4081 1.5848 1.5848 1.9274 1.9274 2.1796 2.1796 2.2260 2.2260 2.2545 2.2545 2.3605 2.3605 2.4135 2.4135 2.6526 2.6526 3.0481 3.0481 3.3003 3.3003 3.3630 3.3630 4.1991 4.1991 4.3996 4.3996 4.7524 4.7524 4.9561 4.9561 5.3580 5.3580 5.3722 5.3722 5.6611 5.6611 6.1074 6.1074 11.2726 11.2726 11.5447 11.5447 11.9240 11.9240 14.9590 14.9590 15.8669 15.8669 16.7531 16.7531 17.3052 17.3052 k = 0.2805-0.2497-0.1636 ( 3449 PWs) bands (ev): -15.9929 -15.9929 -15.6420 -15.6420 -12.7617 -12.7617 -12.6837 -12.6837 -12.6656 -12.6656 -12.5753 -12.5753 -2.3634 -2.3634 -2.1777 -2.1777 -0.9873 -0.9873 -0.8005 -0.8005 -0.6411 -0.6411 -0.4424 -0.4424 -0.3882 -0.3882 0.5388 0.5388 1.4242 1.4242 1.5813 1.5813 1.9246 1.9246 2.1728 2.1728 2.2267 2.2267 2.2528 2.2528 2.3630 2.3630 2.4141 2.4141 2.6063 2.6063 3.0204 3.0204 3.2824 3.2824 3.3456 3.3456 4.1671 4.1671 4.3863 4.3863 4.7279 4.7279 5.0051 5.0051 5.3506 5.3506 5.3709 5.3709 5.6705 5.6705 6.1254 6.1254 11.2826 11.2826 11.5892 11.5892 11.9700 11.9700 14.8698 14.8698 15.8320 15.8320 16.7966 16.7966 17.2349 17.2349 k = 0.2927-0.2605-0.1707 ( 3445 PWs) bands (ev): -15.9803 -15.9803 -15.6456 -15.6456 -12.7672 -12.7672 -12.6884 -12.6884 -12.6716 -12.6716 -12.5805 -12.5805 -2.3376 -2.3376 -2.1628 -2.1628 -0.9885 -0.9885 -0.7720 -0.7720 -0.6303 -0.6303 -0.4408 -0.4408 -0.3652 -0.3652 0.5197 0.5197 1.4403 1.4403 1.5768 1.5768 1.9218 1.9218 2.1640 2.1640 2.2266 2.2266 2.2511 2.2511 2.3638 2.3638 2.4125 2.4125 2.5662 2.5662 2.9910 2.9910 3.2655 3.2655 3.3278 3.3278 4.1365 4.1365 4.3723 4.3723 4.7061 4.7061 5.0519 5.0519 5.3334 5.3334 5.3779 5.3779 5.6831 5.6831 6.1429 6.1429 11.2935 11.2935 11.6287 11.6287 12.0195 12.0195 14.7796 14.7796 15.8020 15.8020 16.8370 16.8370 17.1662 17.1662 k = 0.3049-0.2714-0.1778 ( 3447 PWs) bands (ev): -15.9675 -15.9675 -15.6496 -15.6496 -12.7726 -12.7726 -12.6964 -12.6964 -12.6741 -12.6741 -12.5856 -12.5856 -2.3122 -2.3122 -2.1479 -2.1479 -0.9908 -0.9908 -0.7401 -0.7401 -0.6205 -0.6205 -0.4399 -0.4399 -0.3424 -0.3424 0.5018 0.5018 1.4563 1.4563 1.5715 1.5715 1.9191 1.9191 2.1530 2.1530 2.2256 2.2256 2.2494 2.2494 2.3623 2.3623 2.4075 2.4075 2.5350 2.5350 2.9603 2.9603 3.2494 3.2494 3.3097 3.3097 4.1076 4.1076 4.3571 4.3571 4.6881 4.6881 5.0959 5.0959 5.3147 5.3147 5.3852 5.3852 5.6991 5.6991 6.1596 6.1596 11.3054 11.3054 11.6627 11.6627 12.0728 12.0728 14.6887 14.6887 15.7772 15.7772 16.8719 16.8719 17.1017 17.1017 k = 0.3171-0.2822-0.1849 ( 3446 PWs) bands (ev): -15.9545 -15.9545 -15.6540 -15.6540 -12.7779 -12.7779 -12.7059 -12.7059 -12.6747 -12.6747 -12.5906 -12.5906 -2.2874 -2.2874 -2.1332 -2.1332 -0.9930 -0.9930 -0.7060 -0.7060 -0.6123 -0.6123 -0.4390 -0.4390 -0.3196 -0.3196 0.4849 0.4849 1.4719 1.4719 1.5659 1.5659 1.9161 1.9161 2.1396 2.1396 2.2235 2.2235 2.2476 2.2476 2.3578 2.3578 2.3991 2.3991 2.5145 2.5145 2.9286 2.9286 3.2341 3.2341 3.2910 3.2910 4.0807 4.0807 4.3402 4.3402 4.6744 4.6744 5.1363 5.1363 5.2952 5.2952 5.3921 5.3921 5.7184 5.7184 6.1754 6.1754 11.3183 11.3183 11.6909 11.6909 12.1297 12.1297 14.5972 14.5972 15.7576 15.7576 16.8937 16.8937 17.0489 17.0489 k = 0.3293-0.2931-0.1920 ( 3446 PWs) bands (ev): -15.9414 -15.9414 -15.6587 -15.6587 -12.7829 -12.7829 -12.7157 -12.7157 -12.6747 -12.6747 -12.5956 -12.5956 -2.2633 -2.2633 -2.1190 -2.1190 -0.9943 -0.9943 -0.6707 -0.6707 -0.6065 -0.6065 -0.4376 -0.4376 -0.2971 -0.2971 0.4685 0.4685 1.4866 1.4866 1.5604 1.5604 1.9129 1.9129 2.1237 2.1237 2.2206 2.2206 2.2454 2.2454 2.3495 2.3495 2.3899 2.3899 2.5038 2.5038 2.8965 2.8965 3.2192 3.2192 3.2719 3.2719 4.0561 4.0561 4.3212 4.3212 4.6658 4.6658 5.1722 5.1722 5.2757 5.2757 5.3983 5.3983 5.7412 5.7412 6.1901 6.1901 11.3322 11.3322 11.7134 11.7134 12.1901 12.1901 14.5053 14.5053 15.7433 15.7433 16.8831 16.8831 17.0269 17.0269 k = 0.3415-0.3039-0.1991 ( 3446 PWs) bands (ev): -15.9283 -15.9283 -15.6637 -15.6637 -12.7877 -12.7877 -12.7254 -12.7254 -12.6743 -12.6743 -12.6005 -12.6005 -2.2400 -2.2400 -2.1054 -2.1054 -0.9942 -0.9942 -0.6347 -0.6347 -0.6040 -0.6040 -0.4350 -0.4350 -0.2748 -0.2748 0.4523 0.4523 1.4993 1.4993 1.5563 1.5563 1.9093 1.9093 2.1052 2.1052 2.2170 2.2170 2.2429 2.2429 2.3378 2.3378 2.3825 2.3825 2.5000 2.5000 2.8644 2.8644 3.2049 3.2049 3.2526 3.2526 4.0341 4.0341 4.3003 4.3003 4.6622 4.6622 5.2006 5.2006 5.2591 5.2591 5.4038 5.4038 5.7672 5.7672 6.2035 6.2035 11.3471 11.3471 11.7304 11.7304 12.2537 12.2537 14.4131 14.4131 15.7343 15.7343 16.8369 16.8369 17.0390 17.0390 k = 0.3537-0.3148-0.2062 ( 3449 PWs) bands (ev): -15.9151 -15.9151 -15.6692 -15.6692 -12.7922 -12.7922 -12.7350 -12.7350 -12.6736 -12.6736 -12.6053 -12.6053 -2.2177 -2.2177 -2.0926 -2.0926 -0.9925 -0.9925 -0.6053 -0.6053 -0.5985 -0.5985 -0.4305 -0.4305 -0.2524 -0.2524 0.4358 0.4358 1.5085 1.5085 1.5557 1.5557 1.9050 1.9050 2.0845 2.0845 2.2128 2.2128 2.2399 2.2399 2.3254 2.3254 2.3773 2.3773 2.5002 2.5002 2.8328 2.8328 3.1909 3.1909 3.2331 3.2331 4.0148 4.0148 4.2774 4.2774 4.6637 4.6637 5.2090 5.2090 5.2578 5.2578 5.4085 5.4085 5.7962 5.7962 6.2152 6.2152 11.3631 11.3631 11.7422 11.7422 12.3200 12.3200 14.3209 14.3209 15.7308 15.7308 16.7765 16.7765 17.0639 17.0639 k = 0.3659-0.3257-0.2134 ( 3446 PWs) bands (ev): -15.9019 -15.9019 -15.6751 -15.6751 -12.7963 -12.7963 -12.7441 -12.7441 -12.6727 -12.6727 -12.6099 -12.6099 -2.1964 -2.1964 -2.0808 -2.0808 -0.9888 -0.9888 -0.6106 -0.6106 -0.5629 -0.5629 -0.4241 -0.4241 -0.2300 -0.2300 0.4184 0.4184 1.5125 1.5125 1.5605 1.5605 1.8998 1.8998 2.0625 2.0625 2.2083 2.2083 2.2368 2.2368 2.3142 2.3142 2.3731 2.3731 2.5029 2.5029 2.8023 2.8023 3.1773 3.1773 3.2139 3.2139 3.9983 3.9983 4.2530 4.2530 4.6697 4.6697 5.1940 5.1940 5.2755 5.2755 5.4124 5.4124 5.8276 5.8276 6.2252 6.2252 11.3801 11.3801 11.7492 11.7492 12.3887 12.3887 14.2287 14.2287 15.7325 15.7325 16.7120 16.7120 17.0914 17.0914 k = 0.3780-0.3365-0.2205 ( 3444 PWs) bands (ev): -15.8888 -15.8888 -15.6813 -15.6813 -12.8001 -12.8001 -12.7529 -12.7529 -12.6717 -12.6717 -12.6145 -12.6145 -2.1762 -2.1762 -2.0701 -2.0701 -0.9831 -0.9831 -0.6198 -0.6198 -0.5281 -0.5281 -0.4158 -0.4158 -0.2072 -0.2072 0.3997 0.3997 1.5125 1.5125 1.5698 1.5698 1.8937 1.8937 2.0398 2.0398 2.2037 2.2037 2.2334 2.2334 2.3050 2.3050 2.3695 2.3695 2.5069 2.5069 2.7730 2.7730 3.1641 3.1641 3.1950 3.1950 3.9848 3.9848 4.2276 4.2276 4.6798 4.6798 5.1720 5.1720 5.2960 5.2960 5.4156 5.4156 5.8610 5.8610 6.2332 6.2332 11.3980 11.3980 11.7517 11.7517 12.4595 12.4595 14.1367 14.1367 15.7395 15.7395 16.6465 16.6465 17.1186 17.1186 k = 0.3902-0.3474-0.2276 ( 3444 PWs) bands (ev): -15.8757 -15.8757 -15.6880 -15.6880 -12.8035 -12.8035 -12.7611 -12.7611 -12.6704 -12.6704 -12.6189 -12.6189 -2.1572 -2.1572 -2.0607 -2.0607 -0.9753 -0.9753 -0.6325 -0.6325 -0.4949 -0.4949 -0.4061 -0.4061 -0.1837 -0.1837 0.3793 0.3793 1.5116 1.5116 1.5810 1.5810 1.8863 1.8863 2.0171 2.0171 2.1993 2.1993 2.2298 2.2298 2.2979 2.2979 2.3660 2.3660 2.5119 2.5119 2.7456 2.7456 3.1513 3.1513 3.1770 3.1770 3.9741 3.9741 4.2017 4.2017 4.6934 4.6934 5.1479 5.1479 5.3149 5.3149 5.4180 5.4180 5.8955 5.8955 6.2390 6.2390 11.4169 11.4169 11.7502 11.7502 12.5322 12.5322 14.0450 14.0450 15.7516 15.7516 16.5812 16.5812 17.1445 17.1445 k = 0.4024-0.3582-0.2347 ( 3442 PWs) bands (ev): -15.8628 -15.8628 -15.6952 -15.6952 -12.8063 -12.8063 -12.7689 -12.7689 -12.6690 -12.6690 -12.6232 -12.6232 -2.1393 -2.1393 -2.0527 -2.0527 -0.9653 -0.9653 -0.6481 -0.6481 -0.4638 -0.4638 -0.3956 -0.3956 -0.1591 -0.1591 0.3568 0.3568 1.5116 1.5116 1.5924 1.5924 1.8779 1.8779 1.9950 1.9950 2.1953 2.1953 2.2258 2.2258 2.2931 2.2931 2.3624 2.3624 2.5176 2.5176 2.7201 2.7201 3.1391 3.1391 3.1601 3.1601 3.9665 3.9665 4.1758 4.1758 4.7100 4.7100 5.1226 5.1226 5.3315 5.3315 5.4196 5.4196 5.9307 5.9307 6.2425 6.2425 11.4367 11.4367 11.7450 11.7450 12.6065 12.6065 13.9537 13.9537 15.7686 15.7686 16.5166 16.5166 17.1687 17.1687 k = 0.4146-0.3691-0.2418 ( 3444 PWs) bands (ev): -15.8500 -15.8500 -15.7027 -15.7027 -12.8087 -12.8087 -12.7761 -12.7761 -12.6675 -12.6675 -12.6273 -12.6273 -2.1228 -2.1228 -2.0461 -2.0461 -0.9532 -0.9532 -0.6661 -0.6661 -0.4355 -0.4355 -0.3850 -0.3850 -0.1330 -0.1330 0.3320 0.3320 1.5135 1.5135 1.6028 1.6028 1.8687 1.8687 1.9736 1.9736 2.1919 2.1919 2.2213 2.2213 2.2906 2.2906 2.3586 2.3586 2.5239 2.5239 2.6967 2.6967 3.1276 3.1276 3.1445 3.1445 3.9618 3.9618 4.1502 4.1502 4.7292 4.7292 5.0966 5.0966 5.3460 5.3460 5.4204 5.4204 5.9659 5.9659 6.2434 6.2434 11.4573 11.4573 11.7364 11.7364 12.6823 12.6823 13.8629 13.8629 15.7904 15.7904 16.4529 16.4529 17.1911 17.1911 k = 0.4268-0.3799-0.2489 ( 3442 PWs) bands (ev): -15.8374 -15.8374 -15.7107 -15.7107 -12.8105 -12.8105 -12.7827 -12.7827 -12.6657 -12.6657 -12.6313 -12.6313 -2.1075 -2.1075 -2.0412 -2.0412 -0.9392 -0.9392 -0.6859 -0.6859 -0.4106 -0.4106 -0.3746 -0.3746 -0.1050 -0.1050 0.3047 0.3047 1.5180 1.5180 1.6113 1.6113 1.8595 1.8595 1.9531 1.9531 2.1892 2.1892 2.2164 2.2164 2.2902 2.2902 2.3543 2.3543 2.5308 2.5308 2.6754 2.6754 3.1169 3.1169 3.1305 3.1305 3.9599 3.9599 4.1252 4.1252 4.7505 4.7505 5.0700 5.0700 5.3586 5.3586 5.4205 5.4205 6.0004 6.0004 6.2417 6.2417 11.4786 11.4786 11.7249 11.7249 12.7595 12.7595 13.7727 13.7727 15.8166 15.8166 16.3906 16.3906 17.2118 17.2118 k = 0.4390-0.3908-0.2560 ( 3445 PWs) bands (ev): -15.8250 -15.8250 -15.7191 -15.7191 -12.8118 -12.8118 -12.7887 -12.7887 -12.6638 -12.6638 -12.6351 -12.6351 -2.0936 -2.0936 -2.0379 -2.0379 -0.9232 -0.9232 -0.7071 -0.7071 -0.3894 -0.3894 -0.3649 -0.3649 -0.0750 -0.0750 0.2750 0.2750 1.5251 1.5251 1.6172 1.6172 1.8513 1.8513 1.9336 1.9336 2.1873 2.1873 2.2113 2.2113 2.2919 2.2919 2.3495 2.3495 2.5382 2.5382 2.6562 2.6562 3.1074 3.1074 3.1183 3.1183 3.9609 3.9609 4.1013 4.1013 4.7734 4.7734 5.0429 5.0429 5.3695 5.3695 5.4198 5.4198 6.0338 6.0338 6.2371 6.2371 11.5005 11.5005 11.7107 11.7107 12.8380 12.8380 13.6832 13.6832 15.8471 15.8471 16.3297 16.3297 17.2309 17.2309 k = 0.4512-0.4016-0.2631 ( 3441 PWs) bands (ev): -15.8129 -15.8129 -15.7280 -15.7280 -12.8124 -12.8124 -12.7940 -12.7940 -12.6617 -12.6617 -12.6388 -12.6388 -2.0812 -2.0812 -2.0362 -2.0362 -0.9055 -0.9055 -0.7293 -0.7293 -0.3722 -0.3722 -0.3564 -0.3564 -0.0428 -0.0428 0.2432 0.2432 1.5349 1.5349 1.6195 1.6195 1.8451 1.8451 1.9152 1.9152 2.1863 2.1863 2.2063 2.2063 2.2953 2.2953 2.3443 2.3443 2.5462 2.5462 2.6389 2.6389 3.0994 3.0994 3.1080 3.1080 3.9646 3.9646 4.0787 4.0787 4.7978 4.7978 5.0154 5.0154 5.3790 5.3790 5.4185 5.4185 6.0655 6.0655 6.2297 6.2297 11.5230 11.5230 11.6944 11.6944 12.9178 12.9178 13.5945 13.5945 15.8816 15.8816 16.2705 16.2705 17.2486 17.2486 k = 0.4634-0.4125-0.2702 ( 3441 PWs) bands (ev): -15.8011 -15.8011 -15.7372 -15.7372 -12.8125 -12.8125 -12.7987 -12.7987 -12.6595 -12.6595 -12.6423 -12.6423 -2.0701 -2.0701 -2.0362 -2.0362 -0.8863 -0.8863 -0.7522 -0.7522 -0.3590 -0.3590 -0.3495 -0.3495 -0.0088 -0.0088 0.2093 0.2093 1.5469 1.5469 1.6176 1.6176 1.8422 1.8422 1.8979 1.8979 2.1861 2.1861 2.2015 2.2015 2.3000 2.3000 2.3384 2.3384 2.5547 2.5547 2.6233 2.6233 3.0931 3.0931 3.0996 3.0996 3.9709 3.9709 4.0575 4.0575 4.8233 4.8233 4.9877 4.9877 5.3872 5.3872 5.4164 5.4164 6.0953 6.0953 6.2192 6.2192 11.5457 11.5457 11.6762 11.6762 12.9987 12.9987 13.5065 13.5065 15.9198 15.9198 16.2132 16.2132 17.2651 17.2651 k = 0.4756-0.4234-0.2774 ( 3444 PWs) bands (ev): -15.7895 -15.7895 -15.7469 -15.7469 -12.8118 -12.8118 -12.8027 -12.8027 -12.6571 -12.6571 -12.6456 -12.6456 -2.0606 -2.0606 -2.0378 -2.0378 -0.8657 -0.8657 -0.7754 -0.7754 -0.3496 -0.3496 -0.3444 -0.3444 0.0268 0.0268 0.1740 0.1740 1.5605 1.5605 1.6115 1.6115 1.8431 1.8431 1.8821 1.8821 2.1867 2.1867 2.1972 2.1972 2.3057 2.3057 2.3322 2.3322 2.5639 2.5639 2.6092 2.6092 3.0888 3.0888 3.0932 3.0932 3.9798 3.9798 4.0379 4.0379 4.8497 4.8497 4.9598 4.9598 5.3943 5.3943 5.4135 5.4135 6.1228 6.1228 6.2058 6.2058 11.5685 11.5685 11.6564 11.6564 13.0807 13.0807 13.4194 13.4194 15.9615 15.9615 16.1579 16.1579 17.2805 17.2805 k = 0.4878-0.4342-0.2845 ( 3442 PWs) bands (ev): -15.7783 -15.7783 -15.7570 -15.7570 -12.8106 -12.8106 -12.8060 -12.8060 -12.6545 -12.6545 -12.6487 -12.6487 -2.0525 -2.0525 -2.0411 -2.0411 -0.8441 -0.8441 -0.7987 -0.7987 -0.3438 -0.3438 -0.3415 -0.3415 0.0634 0.0634 0.1375 0.1375 1.5748 1.5748 1.6016 1.6016 1.8481 1.8481 1.8682 1.8682 2.1882 2.1882 2.1935 2.1935 2.3120 2.3120 2.3255 2.3255 2.5739 2.5739 2.5964 2.5964 3.0866 3.0866 3.0889 3.0889 3.9910 3.9910 4.0202 4.0202 4.8767 4.8767 4.9319 4.9319 5.4004 5.4004 5.4099 5.4099 6.1478 6.1478 6.1894 6.1894 11.5912 11.5912 11.6355 11.6355 13.1639 13.1639 13.3333 13.3333 16.0064 16.0064 16.1048 16.1048 17.2952 17.2952 k = 0.5000-0.4451-0.2916 ( 3444 PWs) bands (ev): -15.7675 -15.7675 -15.7675 -15.7675 -12.8086 -12.8086 -12.8086 -12.8086 -12.6517 -12.6517 -12.6517 -12.6517 -2.0460 -2.0460 -2.0460 -2.0460 -0.8217 -0.8217 -0.8217 -0.8217 -0.3412 -0.3412 -0.3412 -0.3412 0.1005 0.1005 0.1005 0.1005 1.5890 1.5890 1.5890 1.5890 1.8566 1.8566 1.8566 1.8566 2.1905 2.1905 2.1905 2.1905 2.3187 2.3187 2.3187 2.3187 2.5846 2.5846 2.5846 2.5846 3.0866 3.0866 3.0866 3.0866 4.0045 4.0045 4.0046 4.0046 4.9042 4.9042 4.9042 4.9042 5.4056 5.4056 5.4056 5.4056 6.1700 6.1700 6.1700 6.1700 11.6136 11.6136 11.6137 11.6137 13.2481 13.2481 13.2481 13.2481 16.0543 16.0543 16.0543 16.0543 17.3093 17.3093 k = 0.5000-0.4451-0.2916 ( 3444 PWs) bands (ev): -15.7675 -15.7675 -15.7675 -15.7675 -12.8086 -12.8086 -12.8086 -12.8086 -12.6517 -12.6517 -12.6517 -12.6517 -2.0460 -2.0460 -2.0460 -2.0460 -0.8217 -0.8217 -0.8217 -0.8217 -0.3412 -0.3412 -0.3412 -0.3412 0.1005 0.1005 0.1005 0.1005 1.5890 1.5890 1.5890 1.5890 1.8566 1.8566 1.8566 1.8566 2.1905 2.1905 2.1905 2.1905 2.3187 2.3187 2.3187 2.3187 2.5846 2.5846 2.5846 2.5846 3.0866 3.0866 3.0866 3.0866 4.0045 4.0045 4.0046 4.0046 4.9042 4.9042 4.9042 4.9042 5.4056 5.4056 5.4056 5.4056 6.1700 6.1700 6.1700 6.1700 11.6136 11.6136 11.6137 11.6137 13.2481 13.2481 13.2481 13.2481 16.0543 16.0543 16.0543 16.0543 17.3093 17.3093 k = 0.5000-0.4352-0.3067 ( 3444 PWs) bands (ev): -15.7674 -15.7674 -15.7674 -15.7674 -12.8087 -12.8087 -12.8087 -12.8087 -12.6518 -12.6518 -12.6518 -12.6518 -2.0451 -2.0451 -2.0451 -2.0451 -0.8222 -0.8222 -0.8220 -0.8220 -0.3414 -0.3414 -0.3413 -0.3413 0.1009 0.1009 0.1010 0.1010 1.5891 1.5891 1.5896 1.5896 1.8537 1.8537 1.8565 1.8565 2.1880 2.1880 2.1925 2.1925 2.3157 2.3157 2.3216 2.3216 2.5830 2.5830 2.5835 2.5835 3.0896 3.0896 3.0899 3.0899 4.0041 4.0041 4.0043 4.0043 4.9043 4.9043 4.9048 4.9048 5.4027 5.4027 5.4035 5.4035 6.1711 6.1711 6.1713 6.1713 11.6148 11.6148 11.6148 11.6148 13.2483 13.2483 13.2486 13.2486 16.0507 16.0507 16.0508 16.0508 17.3092 17.3092 k = 0.5000-0.4252-0.3218 ( 3446 PWs) bands (ev): -15.7671 -15.7671 -15.7671 -15.7671 -12.8091 -12.8091 -12.8091 -12.8091 -12.6520 -12.6520 -12.6520 -12.6520 -2.0424 -2.0424 -2.0423 -2.0423 -0.8237 -0.8237 -0.8233 -0.8233 -0.3418 -0.3418 -0.3418 -0.3418 0.1023 0.1023 0.1025 0.1025 1.5900 1.5900 1.5911 1.5911 1.8477 1.8477 1.8532 1.8532 2.1852 2.1852 2.1938 2.1938 2.3128 2.3128 2.3238 2.3238 2.5784 2.5784 2.5797 2.5797 3.0984 3.0984 3.0991 3.0991 4.0031 4.0031 4.0033 4.0033 4.9050 4.9050 4.9061 4.9061 5.3951 5.3951 5.3965 5.3965 6.1744 6.1744 6.1749 6.1749 11.6181 11.6181 11.6182 11.6182 13.2493 13.2493 13.2499 13.2499 16.0401 16.0401 16.0404 16.0404 17.3123 17.3123 k = 0.5000-0.4153-0.3370 ( 3446 PWs) bands (ev): -15.7667 -15.7667 -15.7667 -15.7667 -12.8097 -12.8097 -12.8096 -12.8096 -12.6523 -12.6523 -12.6523 -12.6523 -2.0380 -2.0380 -2.0378 -2.0378 -0.8261 -0.8261 -0.8254 -0.8254 -0.3426 -0.3426 -0.3425 -0.3425 0.1048 0.1048 0.1050 0.1050 1.5917 1.5917 1.5933 1.5933 1.8390 1.8390 1.8467 1.8467 2.1822 2.1822 2.1944 2.1944 2.3106 2.3106 2.3250 2.3250 2.5713 2.5713 2.5740 2.5740 3.1127 3.1127 3.1139 3.1139 4.0015 4.0015 4.0017 4.0017 4.9064 4.9064 4.9079 4.9079 5.3827 5.3827 5.3849 5.3849 6.1800 6.1800 6.1807 6.1807 11.6237 11.6237 11.6238 11.6238 13.2511 13.2511 13.2520 13.2520 16.0230 16.0230 16.0234 16.0234 17.3184 17.3184 k = 0.5000-0.4054-0.3521 ( 3444 PWs) bands (ev): -15.7661 -15.7661 -15.7661 -15.7661 -12.8106 -12.8106 -12.8105 -12.8105 -12.6528 -12.6528 -12.6528 -12.6528 -2.0317 -2.0317 -2.0315 -2.0315 -0.8294 -0.8294 -0.8285 -0.8285 -0.3436 -0.3436 -0.3435 -0.3435 0.1081 0.1081 0.1085 0.1085 1.5941 1.5941 1.5963 1.5963 1.8278 1.8278 1.8372 1.8372 2.1791 2.1791 2.1942 2.1942 2.3092 2.3092 2.3249 2.3249 2.5620 2.5620 2.5670 2.5670 3.1317 3.1317 3.1336 3.1336 3.9994 3.9994 3.9996 3.9996 4.9084 4.9084 4.9104 4.9104 5.3660 5.3660 5.3689 5.3689 6.1876 6.1876 6.1885 6.1885 11.6314 11.6314 11.6315 11.6315 13.2536 13.2536 13.2547 13.2547 16.0000 16.0000 16.0004 16.0004 17.3270 17.3270 k = 0.5000-0.3955-0.3672 ( 3448 PWs) bands (ev): -15.7654 -15.7654 -15.7654 -15.7654 -12.8117 -12.8117 -12.8116 -12.8116 -12.6534 -12.6534 -12.6533 -12.6533 -2.0239 -2.0239 -2.0236 -2.0236 -0.8335 -0.8335 -0.8324 -0.8324 -0.3449 -0.3449 -0.3448 -0.3448 0.1125 0.1125 0.1129 0.1129 1.5973 1.5973 1.5998 1.5998 1.8145 1.8145 1.8248 1.8248 2.1758 2.1758 2.1932 2.1932 2.3088 2.3088 2.3233 2.3233 2.5510 2.5510 2.5593 2.5593 3.1545 3.1545 3.1573 3.1573 3.9970 3.9970 3.9971 3.9971 4.9107 4.9107 4.9132 4.9132 5.3454 5.3454 5.3490 5.3490 6.1968 6.1968 6.1979 6.1979 11.6412 11.6412 11.6414 11.6414 13.2567 13.2567 13.2581 13.2581 15.9716 15.9716 15.9719 15.9719 17.3376 17.3376 k = 0.5000-0.3856-0.3823 ( 3446 PWs) bands (ev): -15.7645 -15.7645 -15.7645 -15.7645 -12.8130 -12.8130 -12.8129 -12.8129 -12.6540 -12.6540 -12.6539 -12.6539 -2.0144 -2.0144 -2.0141 -2.0141 -0.8384 -0.8384 -0.8371 -0.8371 -0.3465 -0.3465 -0.3463 -0.3463 0.1179 0.1179 0.1183 0.1183 1.6010 1.6010 1.6039 1.6039 1.7994 1.7994 1.8099 1.8099 2.1723 2.1723 2.1914 2.1914 2.3092 2.3092 2.3200 2.3200 2.5389 2.5389 2.5517 2.5517 3.1803 3.1803 3.1843 3.1843 3.9943 3.9943 3.9946 3.9946 4.9132 4.9132 4.9162 4.9162 5.3213 5.3213 5.3255 5.3255 6.2074 6.2074 6.2087 6.2087 11.6529 11.6529 11.6532 11.6532 13.2603 13.2603 13.2620 13.2620 15.9387 15.9387 15.9390 15.9390 17.3494 17.3494 k = 0.5000-0.3757-0.3974 ( 3440 PWs) bands (ev): -15.7634 -15.7634 -15.7634 -15.7634 -12.8147 -12.8147 -12.8145 -12.8145 -12.6546 -12.6546 -12.6546 -12.6546 -2.0036 -2.0036 -2.0032 -2.0032 -0.8441 -0.8441 -0.8425 -0.8425 -0.3484 -0.3484 -0.3482 -0.3482 0.1242 0.1242 0.1247 0.1247 1.6053 1.6053 1.6084 1.6084 1.7829 1.7829 1.7928 1.7928 2.1686 2.1686 2.1891 2.1891 2.3105 2.3105 2.3153 2.3153 2.5261 2.5261 2.5445 2.5445 3.2083 3.2083 3.2137 3.2137 3.9915 3.9915 3.9923 3.9923 4.9157 4.9157 4.9192 4.9192 5.2943 5.2943 5.2990 5.2990 6.2192 6.2192 6.2206 6.2206 11.6665 11.6665 11.6668 11.6668 13.2644 13.2644 13.2664 13.2664 15.9021 15.9021 15.9022 15.9022 17.3618 17.3618 k = 0.5000-0.3658-0.4126 ( 3442 PWs) bands (ev): -15.7623 -15.7623 -15.7623 -15.7623 -12.8166 -12.8166 -12.8164 -12.8164 -12.6552 -12.6552 -12.6552 -12.6552 -1.9914 -1.9914 -1.9911 -1.9911 -0.8504 -0.8504 -0.8487 -0.8487 -0.3505 -0.3505 -0.3503 -0.3503 0.1314 0.1314 0.1320 0.1320 1.6097 1.6097 1.6129 1.6129 1.7656 1.7656 1.7742 1.7742 2.1645 2.1645 2.1863 2.1863 2.3093 2.3093 2.3122 2.3122 2.5129 2.5129 2.5381 2.5381 3.2376 3.2376 3.2448 3.2448 3.9889 3.9889 3.9904 3.9904 4.9178 4.9178 4.9217 4.9217 5.2649 5.2649 5.2702 5.2702 6.2316 6.2316 6.2332 6.2332 11.6818 11.6818 11.6821 11.6821 13.2689 13.2689 13.2711 13.2711 15.8625 15.8625 15.8625 15.8625 17.3743 17.3743 k = 0.5000-0.3559-0.4277 ( 3446 PWs) bands (ev): -15.7610 -15.7610 -15.7610 -15.7610 -12.8188 -12.8188 -12.8186 -12.8186 -12.6558 -12.6558 -12.6557 -12.6557 -1.9782 -1.9782 -1.9778 -1.9778 -0.8574 -0.8574 -0.8555 -0.8555 -0.3529 -0.3529 -0.3526 -0.3526 0.1397 0.1397 0.1403 0.1403 1.6140 1.6140 1.6171 1.6171 1.7481 1.7481 1.7547 1.7547 2.1598 2.1598 2.1832 2.1832 2.3024 2.3024 2.3142 2.3142 2.4997 2.4997 2.5325 2.5325 3.2675 3.2675 3.2768 3.2768 3.9869 3.9869 3.9892 3.9892 4.9189 4.9189 4.9235 4.9235 5.2342 5.2342 5.2398 5.2398 6.2446 6.2446 6.2463 6.2463 11.6987 11.6987 11.6990 11.6990 13.2736 13.2736 13.2761 13.2761 15.8205 15.8205 15.8208 15.8208 17.3863 17.3863 k = 0.5000-0.3460-0.4428 ( 3444 PWs) bands (ev): -15.7597 -15.7597 -15.7597 -15.7597 -12.8212 -12.8212 -12.8210 -12.8210 -12.6562 -12.6562 -12.6561 -12.6561 -1.9640 -1.9640 -1.9636 -1.9636 -0.8649 -0.8649 -0.8628 -0.8628 -0.3555 -0.3555 -0.3552 -0.3552 0.1488 0.1488 0.1494 0.1494 1.6174 1.6174 1.6201 1.6201 1.7317 1.7317 1.7356 1.7356 2.1544 2.1544 2.1798 2.1798 2.2950 2.2950 2.3163 2.3163 2.4869 2.4869 2.5279 2.5279 3.2974 3.2974 3.3091 3.3091 3.9856 3.9856 3.9891 3.9891 4.9183 4.9183 4.9237 4.9237 5.2030 5.2030 5.2087 5.2087 6.2579 6.2579 6.2596 6.2596 11.7169 11.7169 11.7173 11.7173 13.2785 13.2785 13.2811 13.2811 15.7771 15.7771 15.7776 15.7776 17.3975 17.3975 k = 0.5000-0.3361-0.4579 ( 3438 PWs) bands (ev): -15.7583 -15.7583 -15.7583 -15.7583 -12.8240 -12.8240 -12.8238 -12.8238 -12.6565 -12.6565 -12.6564 -12.6564 -1.9491 -1.9491 -1.9486 -1.9486 -0.8728 -0.8728 -0.8705 -0.8705 -0.3584 -0.3584 -0.3581 -0.3581 0.1588 0.1588 0.1595 0.1595 1.6183 1.6183 1.6205 1.6205 1.7178 1.7178 1.7186 1.7186 2.1481 2.1481 2.1763 2.1763 2.2877 2.2877 2.3182 2.3182 2.4748 2.4748 2.5240 2.5240 3.3267 3.3267 3.3410 3.3410 3.9856 3.9856 3.9904 3.9904 4.9150 4.9150 4.9213 4.9213 5.1726 5.1726 5.1783 5.1783 6.2712 6.2712 6.2729 6.2729 11.7363 11.7363 11.7366 11.7366 13.2834 13.2834 13.2862 13.2862 15.7328 15.7328 15.7335 15.7335 17.4075 17.4075 k = 0.5000-0.3262-0.4731 ( 3446 PWs) bands (ev): -15.7568 -15.7568 -15.7568 -15.7568 -12.8270 -12.8270 -12.8267 -12.8267 -12.6567 -12.6567 -12.6566 -12.6566 -1.9337 -1.9337 -1.9333 -1.9333 -0.8809 -0.8809 -0.8786 -0.8786 -0.3614 -0.3614 -0.3611 -0.3611 0.1697 0.1697 0.1704 0.1704 1.6144 1.6144 1.6164 1.6164 1.7062 1.7062 1.7084 1.7084 2.1408 2.1408 2.1726 2.1726 2.2807 2.2807 2.3196 2.3196 2.4635 2.4635 2.5208 2.5208 3.3547 3.3547 3.3719 3.3719 3.9872 3.9872 3.9935 3.9935 4.9074 4.9074 4.9151 4.9151 5.1448 5.1448 5.1500 5.1500 6.2842 6.2842 6.2860 6.2860 11.7565 11.7565 11.7569 11.7569 13.2882 13.2882 13.2912 13.2912 15.6882 15.6882 15.6892 15.6892 17.4161 17.4161 k = 0.5000-0.3163-0.4882 ( 3448 PWs) bands (ev): -15.7554 -15.7554 -15.7554 -15.7554 -12.8302 -12.8302 -12.8299 -12.8299 -12.6566 -12.6566 -12.6565 -12.6565 -1.9182 -1.9182 -1.9177 -1.9177 -0.8892 -0.8892 -0.8867 -0.8867 -0.3647 -0.3647 -0.3644 -0.3644 0.1814 0.1814 0.1821 0.1821 1.6039 1.6039 1.6067 1.6067 1.7008 1.7008 1.7050 1.7050 2.1324 2.1324 2.1688 2.1688 2.2747 2.2747 2.3202 2.3202 2.4536 2.4536 2.5182 2.5182 3.3810 3.3810 3.4012 3.4012 3.9908 3.9908 3.9987 3.9987 4.8941 4.8941 4.9034 4.9034 5.1214 5.1214 5.1258 5.1258 6.2968 6.2968 6.2986 6.2986 11.7774 11.7774 11.7778 11.7778 13.2929 13.2929 13.2961 13.2961 15.6440 15.6440 15.6452 15.6452 17.4231 17.4231 k = 0.5000-0.3064-0.5033 ( 3446 PWs) bands (ev): -15.7539 -15.7539 -15.7539 -15.7539 -12.8336 -12.8336 -12.8333 -12.8333 -12.6564 -12.6564 -12.6562 -12.6562 -1.9027 -1.9027 -1.9023 -1.9023 -0.8974 -0.8974 -0.8948 -0.8948 -0.3682 -0.3682 -0.3679 -0.3679 0.1939 0.1939 0.1945 0.1945 1.5872 1.5872 1.5921 1.5921 1.7021 1.7021 1.7070 1.7070 2.1231 2.1231 2.1648 2.1648 2.2696 2.2696 2.3200 2.3200 2.4452 2.4452 2.5160 2.5160 3.4050 3.4050 3.4283 3.4283 3.9968 3.9968 4.0064 4.0064 4.8737 4.8737 4.8849 4.8849 5.1038 5.1038 5.1072 5.1072 6.3089 6.3089 6.3106 6.3106 11.7987 11.7987 11.7991 11.7991 13.2974 13.2974 13.3007 13.3007 15.6006 15.6006 15.6020 15.6020 17.4284 17.4284 k = 0.5000-0.2964-0.5184 ( 3454 PWs) bands (ev): -15.7525 -15.7525 -15.7524 -15.7524 -12.8372 -12.8372 -12.8369 -12.8369 -12.6559 -12.6559 -12.6557 -12.6557 -1.8877 -1.8877 -1.8873 -1.8873 -0.9053 -0.9053 -0.9027 -0.9027 -0.3719 -0.3719 -0.3715 -0.3715 0.2070 0.2070 0.2077 0.2077 1.5666 1.5666 1.5744 1.5744 1.7079 1.7079 1.7126 1.7126 2.1130 2.1130 2.1607 2.1607 2.2657 2.2657 2.3186 2.3186 2.4386 2.4386 2.5142 2.5142 3.4265 3.4265 3.4528 3.4528 4.0055 4.0055 4.0167 4.0167 4.8462 4.8462 4.8592 4.8592 5.0925 5.0925 5.0948 5.0948 6.3201 6.3201 6.3218 6.3218 11.8200 11.8200 11.8204 11.8204 13.3017 13.3017 13.3050 13.3050 15.5584 15.5584 15.5600 15.5600 17.4320 17.4320 k = 0.5000-0.2865-0.5335 ( 3450 PWs) bands (ev): -15.7511 -15.7511 -15.7510 -15.7510 -12.8409 -12.8409 -12.8406 -12.8406 -12.6551 -12.6551 -12.6550 -12.6550 -1.8734 -1.8734 -1.8730 -1.8730 -0.9128 -0.9128 -0.9101 -0.9101 -0.3758 -0.3758 -0.3754 -0.3754 0.2207 0.2207 0.2214 0.2214 1.5441 1.5441 1.5550 1.5550 1.7166 1.7166 1.7207 1.7207 2.1025 2.1025 2.1564 2.1564 2.2628 2.2628 2.3160 2.3160 2.4339 2.4339 2.5128 2.5128 3.4451 3.4451 3.4743 3.4743 4.0171 4.0171 4.0299 4.0299 4.8126 4.8126 4.8273 4.8273 5.0867 5.0867 5.0881 5.0881 6.3304 6.3304 6.3320 6.3320 11.8411 11.8411 11.8415 11.8415 13.3057 13.3057 13.3092 13.3092 15.5180 15.5180 15.5197 15.5197 17.4340 17.4340 k = 0.5000-0.2766-0.5487 ( 3448 PWs) bands (ev): -15.7497 -15.7497 -15.7497 -15.7497 -12.8446 -12.8446 -12.8444 -12.8444 -12.6542 -12.6542 -12.6540 -12.6540 -1.8601 -1.8601 -1.8598 -1.8598 -0.9197 -0.9197 -0.9169 -0.9169 -0.3798 -0.3798 -0.3794 -0.3794 0.2348 0.2348 0.2355 0.2355 1.5208 1.5208 1.5349 1.5349 1.7272 1.7272 1.7303 1.7303 2.0918 2.0918 2.1520 2.1520 2.2610 2.2610 2.3122 2.3122 2.4312 2.4312 2.5116 2.5116 3.4610 3.4610 3.4926 3.4926 4.0318 4.0318 4.0457 4.0457 4.7744 4.7744 4.7906 4.7906 5.0850 5.0850 5.0857 5.0857 6.3395 6.3395 6.3411 6.3411 11.8616 11.8616 11.8620 11.8620 13.3095 13.3095 13.3131 13.3131 15.4795 15.4795 15.4814 15.4814 17.4343 17.4343 k = 0.5000-0.2667-0.5638 ( 3446 PWs) bands (ev): -15.7485 -15.7485 -15.7485 -15.7485 -12.8484 -12.8484 -12.8481 -12.8481 -12.6530 -12.6530 -12.6528 -12.6528 -1.8484 -1.8484 -1.8481 -1.8481 -0.9256 -0.9256 -0.9228 -0.9228 -0.3839 -0.3839 -0.3835 -0.3835 0.2493 0.2493 0.2500 0.2500 1.4975 1.4975 1.5147 1.5147 1.7391 1.7391 1.7408 1.7408 2.0811 2.0811 2.1476 2.1476 2.2601 2.2601 2.3076 2.3076 2.4303 2.4303 2.5106 2.5106 3.4740 3.4740 3.5078 3.5078 4.0494 4.0494 4.0641 4.0641 4.7333 4.7333 4.7509 4.7509 5.0862 5.0862 5.0864 5.0864 6.3474 6.3474 6.3489 6.3489 11.8810 11.8810 11.8814 11.8814 13.3133 13.3133 13.3168 13.3168 15.4433 15.4433 15.4454 15.4454 17.4330 17.4330 k = 0.5000-0.2568-0.5789 ( 3448 PWs) bands (ev): -15.7474 -15.7474 -15.7474 -15.7474 -12.8521 -12.8521 -12.8518 -12.8518 -12.6515 -12.6515 -12.6513 -12.6513 -1.8384 -1.8384 -1.8382 -1.8382 -0.9304 -0.9304 -0.9275 -0.9275 -0.3882 -0.3882 -0.3877 -0.3877 0.2640 0.2640 0.2647 0.2647 1.4746 1.4746 1.4947 1.4947 1.7519 1.7519 1.7520 1.7520 2.0709 2.0709 2.1431 2.1431 2.2600 2.2600 2.3021 2.3021 2.4308 2.4308 2.5098 2.5098 3.4845 3.4845 3.5199 3.5199 4.0696 4.0696 4.0847 4.0847 4.6904 4.6904 4.7093 4.7093 5.0891 5.0891 5.0895 5.0895 6.3538 6.3538 6.3553 6.3553 11.8991 11.8991 11.8994 11.8994 13.3171 13.3171 13.3206 13.3206 15.4097 15.4097 15.4119 15.4119 17.4304 17.4304 k = 0.5000-0.2469-0.5940 ( 3442 PWs) bands (ev): -15.7465 -15.7465 -15.7465 -15.7465 -12.8557 -12.8557 -12.8554 -12.8554 -12.6498 -12.6498 -12.6496 -12.6496 -1.8306 -1.8306 -1.8304 -1.8304 -0.9338 -0.9338 -0.9310 -0.9310 -0.3925 -0.3925 -0.3920 -0.3920 0.2787 0.2787 0.2794 0.2794 1.4525 1.4525 1.4753 1.4753 1.7637 1.7637 1.7656 1.7656 2.0613 2.0613 2.1386 2.1386 2.2607 2.2607 2.2963 2.2963 2.4326 2.4326 2.5091 2.5091 3.4928 3.4928 3.5294 3.5294 4.0919 4.0919 4.1069 4.1069 4.6468 4.6468 4.6671 4.6671 5.0933 5.0933 5.0941 5.0941 6.3587 6.3587 6.3600 6.3600 11.9154 11.9154 11.9157 11.9157 13.3211 13.3211 13.3246 13.3246 15.3788 15.3788 15.3812 15.3812 17.4264 17.4264 k = 0.5000-0.2370-0.6092 ( 3442 PWs) bands (ev): -15.7457 -15.7457 -15.7457 -15.7457 -12.8591 -12.8591 -12.8588 -12.8588 -12.6480 -12.6480 -12.6477 -12.6477 -1.8251 -1.8251 -1.8251 -1.8251 -0.9357 -0.9357 -0.9329 -0.9329 -0.3969 -0.3969 -0.3964 -0.3964 0.2931 0.2931 0.2939 0.2939 1.4314 1.4314 1.4567 1.4567 1.7756 1.7756 1.7797 1.7797 2.0526 2.0526 2.1343 2.1343 2.2619 2.2619 2.2904 2.2904 2.4354 2.4354 2.5086 2.5086 3.4992 3.4992 3.5365 3.5365 4.1158 4.1158 4.1303 4.1303 4.6035 4.6035 4.6252 4.6252 5.0983 5.0983 5.0996 5.0996 6.3618 6.3618 6.3630 6.3630 11.9295 11.9295 11.9297 11.9297 13.3255 13.3255 13.3291 13.3291 15.3510 15.3510 15.3534 15.3534 17.4213 17.4213 k = 0.5000-0.2271-0.6243 ( 3442 PWs) bands (ev): -15.7452 -15.7452 -15.7452 -15.7452 -12.8623 -12.8623 -12.8620 -12.8620 -12.6459 -12.6459 -12.6456 -12.6456 -1.8224 -1.8224 -1.8224 -1.8224 -0.9360 -0.9360 -0.9332 -0.9332 -0.4013 -0.4013 -0.4009 -0.4009 0.3071 0.3071 0.3079 0.3079 1.4118 1.4118 1.4391 1.4391 1.7877 1.7877 1.7944 1.7944 2.0450 2.0450 2.1303 2.1303 2.2638 2.2638 2.2844 2.2844 2.4389 2.4389 2.5081 2.5081 3.5043 3.5043 3.5418 3.5418 4.1405 4.1405 4.1539 4.1539 4.5613 4.5613 4.5845 4.5845 5.1040 5.1040 5.1057 5.1057 6.3631 6.3631 6.3642 6.3642 11.9410 11.9410 11.9411 11.9411 13.3307 13.3307 13.3341 13.3341 15.3262 15.3262 15.3286 15.3286 17.4153 17.4153 k = 0.5000-0.2172-0.6394 ( 3444 PWs) bands (ev): -15.7449 -15.7449 -15.7448 -15.7448 -12.8651 -12.8651 -12.8648 -12.8648 -12.6436 -12.6436 -12.6433 -12.6433 -1.8226 -1.8226 -1.8224 -1.8224 -0.9346 -0.9346 -0.9318 -0.9318 -0.4058 -0.4058 -0.4054 -0.4054 0.3203 0.3203 0.3213 0.3213 1.3938 1.3938 1.4229 1.4229 1.7997 1.7997 1.8093 1.8093 2.0385 2.0385 2.1266 2.1266 2.2661 2.2661 2.2785 2.2785 2.4429 2.4429 2.5077 2.5077 3.5083 3.5083 3.5457 3.5457 4.1649 4.1649 4.1767 4.1767 4.5213 4.5213 4.5462 4.5462 5.1101 5.1101 5.1122 5.1122 6.3624 6.3624 6.3634 6.3634 11.9494 11.9494 11.9494 11.9494 13.3368 13.3368 13.3402 13.3402 15.3046 15.3046 15.3071 15.3071 17.4084 17.4084 k = 0.5000-0.2073-0.6545 ( 3436 PWs) bands (ev): -15.7448 -15.7448 -15.7448 -15.7448 -12.8676 -12.8676 -12.8673 -12.8673 -12.6412 -12.6412 -12.6409 -12.6409 -1.8258 -1.8258 -1.8255 -1.8255 -0.9314 -0.9314 -0.9286 -0.9286 -0.4101 -0.4101 -0.4098 -0.4098 0.3326 0.3326 0.3338 0.3338 1.3777 1.3777 1.4081 1.4081 1.8116 1.8116 1.8245 1.8245 2.0335 2.0335 2.1234 2.1234 2.2690 2.2690 2.2730 2.2730 2.4474 2.4474 2.5074 2.5074 3.5119 3.5119 3.5488 3.5488 4.1876 4.1876 4.1975 4.1975 4.4850 4.4850 4.5118 4.5118 5.1164 5.1164 5.1189 5.1189 6.3596 6.3596 6.3605 6.3605 11.9544 11.9544 11.9545 11.9545 13.3441 13.3441 13.3474 13.3474 15.2862 15.2862 15.2887 15.2887 17.4010 17.4010 k = 0.5000-0.1974-0.6696 ( 3442 PWs) bands (ev): -15.7450 -15.7450 -15.7450 -15.7450 -12.8697 -12.8697 -12.8694 -12.8694 -12.6386 -12.6386 -12.6383 -12.6383 -1.8320 -1.8320 -1.8316 -1.8316 -0.9265 -0.9265 -0.9237 -0.9237 -0.4145 -0.4145 -0.4143 -0.4143 0.3435 0.3435 0.3451 0.3451 1.3637 1.3637 1.3951 1.3951 1.8232 1.8232 1.8395 1.8395 2.0298 2.0298 2.1207 2.1207 2.2677 2.2677 2.2723 2.2723 2.4520 2.4520 2.5070 2.5070 3.5153 3.5153 3.5515 3.5515 4.2064 4.2064 4.2140 4.2140 4.4545 4.4545 4.4833 4.4833 5.1229 5.1229 5.1257 5.1257 6.3546 6.3546 6.3554 6.3554 11.9556 11.9556 11.9559 11.9559 13.3529 13.3529 13.3561 13.3561 15.2711 15.2711 15.2736 15.2736 17.3932 17.3932 k = 0.5000-0.1875-0.6848 ( 3446 PWs) bands (ev): -15.7455 -15.7455 -15.7454 -15.7454 -12.8713 -12.8713 -12.8710 -12.8710 -12.6359 -12.6359 -12.6355 -12.6355 -1.8412 -1.8412 -1.8407 -1.8407 -0.9200 -0.9200 -0.9173 -0.9173 -0.4187 -0.4187 -0.4186 -0.4186 0.3529 0.3529 0.3548 0.3548 1.3520 1.3520 1.3841 1.3841 1.8343 1.8343 1.8544 1.8544 2.0277 2.0277 2.1187 2.1187 2.2627 2.2627 2.2759 2.2759 2.4569 2.4569 2.5066 2.5066 3.5190 3.5190 3.5541 3.5541 4.2183 4.2183 4.2238 4.2238 4.4329 4.4329 4.4633 4.4633 5.1293 5.1293 5.1326 5.1326 6.3473 6.3473 6.3480 6.3480 11.9529 11.9529 11.9532 11.9532 13.3634 13.3634 13.3664 13.3664 15.2592 15.2592 15.2617 15.2617 17.3851 17.3851 k = 0.5000-0.1776-0.6999 ( 3452 PWs) bands (ev): -15.7462 -15.7462 -15.7462 -15.7462 -12.8724 -12.8724 -12.8721 -12.8721 -12.6331 -12.6331 -12.6327 -12.6327 -1.8533 -1.8533 -1.8527 -1.8527 -0.9120 -0.9120 -0.9093 -0.9093 -0.4229 -0.4229 -0.4228 -0.4228 0.3604 0.3604 0.3628 0.3628 1.3430 1.3430 1.3753 1.3753 1.8448 1.8448 1.8688 1.8688 2.0270 2.0270 2.1175 2.1175 2.2581 2.2581 2.2800 2.2800 2.4618 2.4618 2.5062 2.5062 3.5234 3.5234 3.5571 3.5571 4.2202 4.2202 4.2245 4.2245 4.4235 4.4235 4.4543 4.4543 5.1358 5.1358 5.1394 5.1394 6.3377 6.3377 6.3383 6.3383 11.9459 11.9459 11.9464 11.9464 13.3757 13.3757 13.3785 13.3785 15.2506 15.2506 15.2530 15.2530 17.3770 17.3770 k = 0.5000-0.1676-0.7150 ( 3454 PWs) bands (ev): -15.7473 -15.7473 -15.7473 -15.7473 -12.8730 -12.8730 -12.8726 -12.8726 -12.6302 -12.6302 -12.6298 -12.6298 -1.8682 -1.8682 -1.8675 -1.8675 -0.9028 -0.9028 -0.9002 -0.9002 -0.4270 -0.4270 -0.4268 -0.4268 0.3658 0.3658 0.3688 0.3688 1.3367 1.3367 1.3688 1.3688 1.8545 1.8545 1.8824 1.8824 2.0280 2.0280 2.1174 2.1174 2.2540 2.2540 2.2844 2.2844 2.4666 2.4666 2.5056 2.5056 3.5288 3.5288 3.5609 3.5609 4.2113 4.2113 4.2159 4.2159 4.4269 4.4269 4.4566 4.4566 5.1422 5.1422 5.1461 5.1461 6.3257 6.3257 6.3261 6.3261 11.9347 11.9347 11.9353 11.9353 13.3899 13.3899 13.3926 13.3926 15.2452 15.2452 15.2476 15.2476 17.3691 17.3691 k = 0.5000-0.1577-0.7301 ( 3454 PWs) bands (ev): -15.7487 -15.7487 -15.7487 -15.7487 -12.8729 -12.8729 -12.8725 -12.8725 -12.6271 -12.6271 -12.6267 -12.6267 -1.8857 -1.8857 -1.8849 -1.8849 -0.8926 -0.8926 -0.8900 -0.8900 -0.4310 -0.4310 -0.4306 -0.4306 0.3690 0.3690 0.3727 0.3727 1.3333 1.3333 1.3648 1.3648 1.8633 1.8633 1.8950 1.8950 2.0306 2.0306 2.1184 2.1184 2.2503 2.2503 2.2892 2.2892 2.4714 2.4714 2.5049 2.5049 3.5355 3.5355 3.5658 3.5658 4.1947 4.1947 4.2003 4.2003 4.4403 4.4403 4.4679 4.4679 5.1484 5.1484 5.1527 5.1527 6.3112 6.3112 6.3116 6.3116 11.9191 11.9191 11.9199 11.9199 13.4059 13.4059 13.4085 13.4085 15.2431 15.2431 15.2454 15.2454 17.3614 17.3614 k = 0.7854-0.0297-0.4362 ( 3454 PWs) bands (ev): -15.7487 -15.7487 -15.7487 -15.7487 -12.8729 -12.8729 -12.8725 -12.8725 -12.6272 -12.6272 -12.6267 -12.6267 -1.8857 -1.8857 -1.8849 -1.8849 -0.8926 -0.8926 -0.8900 -0.8900 -0.4310 -0.4310 -0.4306 -0.4306 0.3690 0.3690 0.3727 0.3727 1.3333 1.3333 1.3648 1.3648 1.8633 1.8633 1.8950 1.8950 2.0306 2.0306 2.1184 2.1184 2.2503 2.2503 2.2892 2.2892 2.4714 2.4714 2.5049 2.5049 3.5355 3.5355 3.5658 3.5658 4.1947 4.1947 4.2003 4.2003 4.4403 4.4403 4.4679 4.4679 5.1484 5.1484 5.1527 5.1527 6.3112 6.3112 6.3116 6.3116 11.9191 11.9191 11.9199 11.9199 13.4059 13.4059 13.4085 13.4085 15.2431 15.2431 15.2454 15.2454 17.3614 17.3614 k = 0.7781-0.0232-0.4212 ( 3458 PWs) bands (ev): -15.7505 -15.7505 -15.7504 -15.7504 -12.8722 -12.8722 -12.8718 -12.8718 -12.6241 -12.6241 -12.6237 -12.6237 -1.9054 -1.9054 -1.9044 -1.9044 -0.8817 -0.8817 -0.8791 -0.8791 -0.4347 -0.4347 -0.4341 -0.4341 0.3698 0.3698 0.3742 0.3742 1.3327 1.3327 1.3633 1.3633 1.8708 1.8708 1.9059 1.9059 2.0347 2.0347 2.1207 2.1207 2.2472 2.2472 2.2942 2.2942 2.4760 2.4760 2.5040 2.5040 3.5439 3.5439 3.5722 3.5722 4.1746 4.1746 4.1811 4.1811 4.4595 4.4595 4.4850 4.4850 5.1543 5.1543 5.1590 5.1590 6.2944 6.2944 6.2948 6.2948 11.8996 11.8996 11.9004 11.9004 13.4236 13.4236 13.4260 13.4260 15.2441 15.2441 15.2463 15.2463 17.3543 17.3543 k = 0.7708-0.0167-0.4063 ( 3456 PWs) bands (ev): -15.7525 -15.7525 -15.7525 -15.7525 -12.8709 -12.8709 -12.8705 -12.8705 -12.6210 -12.6210 -12.6206 -12.6206 -1.9271 -1.9271 -1.9261 -1.9261 -0.8703 -0.8703 -0.8677 -0.8677 -0.4383 -0.4383 -0.4374 -0.4374 0.3683 0.3683 0.3735 0.3735 1.3349 1.3349 1.3643 1.3643 1.8772 1.8772 1.9152 1.9152 2.0403 2.0403 2.1245 2.1245 2.2445 2.2445 2.2993 2.2993 2.4803 2.4803 2.5029 2.5029 3.5541 3.5541 3.5803 3.5803 4.1536 4.1536 4.1606 4.1606 4.4819 4.4819 4.5056 4.5056 5.1601 5.1601 5.1650 5.1650 6.2752 6.2752 6.2756 6.2756 11.8760 11.8760 11.8769 11.8769 13.4429 13.4429 13.4452 13.4452 15.2483 15.2483 15.2503 15.2503 17.3478 17.3478 k = 0.7634-0.0102-0.3913 ( 3440 PWs) bands (ev): -15.7549 -15.7549 -15.7548 -15.7548 -12.8689 -12.8689 -12.8685 -12.8685 -12.6179 -12.6179 -12.6175 -12.6175 -1.9508 -1.9508 -1.9497 -1.9497 -0.8585 -0.8585 -0.8559 -0.8559 -0.4417 -0.4417 -0.4405 -0.4405 0.3645 0.3645 0.3706 0.3706 1.3399 1.3399 1.3677 1.3677 1.8823 1.8823 1.9224 1.9224 2.0474 2.0474 2.1298 2.1298 2.2424 2.2424 2.3048 2.3048 2.4844 2.4844 2.5015 2.5015 3.5666 3.5666 3.5906 3.5906 4.1334 4.1334 4.1405 4.1405 4.5059 4.5059 4.5280 4.5280 5.1656 5.1656 5.1708 5.1708 6.2537 6.2537 6.2540 6.2540 11.8485 11.8485 11.8496 11.8496 13.4635 13.4635 13.4657 13.4657 15.2555 15.2555 15.2574 15.2574 17.3420 17.3420 k = 0.7561-0.0036-0.3764 ( 3442 PWs) bands (ev): -15.7576 -15.7576 -15.7575 -15.7575 -12.8662 -12.8662 -12.8658 -12.8658 -12.6148 -12.6148 -12.6144 -12.6144 -1.9762 -1.9762 -1.9750 -1.9750 -0.8467 -0.8467 -0.8441 -0.8441 -0.4449 -0.4449 -0.4434 -0.4434 0.3585 0.3585 0.3655 0.3655 1.3473 1.3473 1.3732 1.3732 1.8860 1.8860 1.9273 1.9273 2.0556 2.0556 2.1367 2.1367 2.2408 2.2408 2.3104 2.3104 2.4881 2.4881 2.4998 2.4998 3.5815 3.5815 3.6032 3.6032 4.1150 4.1150 4.1219 4.1219 4.5305 4.5305 4.5512 4.5512 5.1708 5.1708 5.1763 5.1763 6.2298 6.2298 6.2301 6.2301 11.8174 11.8174 11.8186 11.8186 13.4851 13.4851 13.4872 13.4872 15.2660 15.2660 15.2676 15.2676 17.3370 17.3370 k = 0.7488 0.0029-0.3614 ( 3438 PWs) bands (ev): -15.7606 -15.7606 -15.7605 -15.7605 -12.8629 -12.8629 -12.8625 -12.8625 -12.6117 -12.6117 -12.6112 -12.6112 -2.0031 -2.0031 -2.0017 -2.0017 -0.8350 -0.8350 -0.8323 -0.8323 -0.4479 -0.4479 -0.4460 -0.4460 0.3505 0.3505 0.3585 0.3585 1.3570 1.3570 1.3808 1.3808 1.8883 1.8883 1.9299 1.9299 2.0650 2.0650 2.1449 2.1449 2.2398 2.2398 2.3160 2.3160 2.4916 2.4916 2.4978 2.4978 3.5990 3.5990 3.6184 3.6184 4.0990 4.0990 4.1054 4.1054 4.5551 4.5551 4.5747 4.5747 5.1757 5.1757 5.1814 5.1814 6.2037 6.2037 6.2040 6.2040 11.7830 11.7830 11.7842 11.7842 13.5074 13.5074 13.5094 13.5094 15.2795 15.2795 15.2810 15.2810 17.3330 17.3330 k = 0.7415 0.0094-0.3465 ( 3440 PWs) bands (ev): -15.7639 -15.7639 -15.7638 -15.7638 -12.8589 -12.8589 -12.8585 -12.8585 -12.6085 -12.6085 -12.6081 -12.6081 -2.0312 -2.0312 -2.0298 -2.0298 -0.8235 -0.8235 -0.8207 -0.8207 -0.4509 -0.4509 -0.4485 -0.4485 0.3409 0.3409 0.3498 0.3498 1.3685 1.3685 1.3901 1.3901 1.8892 1.8892 1.9301 1.9301 2.0753 2.0753 2.1544 2.1544 2.2395 2.2395 2.3218 2.3218 2.4948 2.4948 2.4954 2.4954 3.6193 3.6193 3.6365 3.6365 4.0858 4.0858 4.0915 4.0915 4.5794 4.5794 4.5981 4.5981 5.1802 5.1802 5.1862 5.1862 6.1753 6.1753 6.1757 6.1757 11.7454 11.7454 11.7466 11.7466 13.5300 13.5300 13.5320 13.5320 15.2963 15.2963 15.2976 15.2976 17.3299 17.3299 k = 0.7342 0.0159-0.3315 ( 3440 PWs) bands (ev): -15.7675 -15.7675 -15.7674 -15.7674 -12.8543 -12.8543 -12.8539 -12.8539 -12.6054 -12.6054 -12.6050 -12.6050 -2.0605 -2.0605 -2.0590 -2.0590 -0.8123 -0.8123 -0.8095 -0.8095 -0.4537 -0.4537 -0.4509 -0.4509 0.3300 0.3300 0.3396 0.3396 1.3816 1.3816 1.4009 1.4009 1.8889 1.8889 1.9281 1.9281 2.0863 2.0863 2.1647 2.1647 2.2398 2.2398 2.3276 2.3276 2.4928 2.4928 2.4978 2.4978 3.6425 3.6425 3.6575 3.6575 4.0757 4.0757 4.0805 4.0805 4.6032 4.6032 4.6210 4.6210 5.1844 5.1844 5.1905 5.1905 6.1449 6.1449 6.1454 6.1454 11.7051 11.7051 11.7063 11.7063 13.5525 13.5525 13.5545 13.5545 15.3164 15.3164 15.3174 15.3174 17.3280 17.3280 k = 0.7268 0.0224-0.3166 ( 3434 PWs) bands (ev): -15.7714 -15.7714 -15.7713 -15.7713 -12.8490 -12.8490 -12.8486 -12.8486 -12.6024 -12.6024 -12.6019 -12.6019 -2.0907 -2.0907 -2.0891 -2.0891 -0.8017 -0.8017 -0.7988 -0.7988 -0.4565 -0.4565 -0.4532 -0.4532 0.3180 0.3180 0.3284 0.3284 1.3960 1.3960 1.4127 1.4127 1.8873 1.8873 1.9240 1.9240 2.0979 2.0979 2.1757 2.1757 2.2407 2.2407 2.3336 2.3336 2.4901 2.4901 2.5006 2.5006 3.6685 3.6685 3.6815 3.6815 4.0687 4.0687 4.0726 4.0726 4.6262 4.6262 4.6434 4.6434 5.1881 5.1881 5.1944 5.1944 6.1124 6.1124 6.1131 6.1131 11.6622 11.6622 11.6635 11.6635 13.5745 13.5745 13.5765 13.5765 15.3399 15.3399 15.3406 15.3406 17.3273 17.3273 k = 0.7195 0.0289-0.3016 ( 3434 PWs) bands (ev): -15.7756 -15.7756 -15.7755 -15.7755 -12.8431 -12.8431 -12.8427 -12.8427 -12.5994 -12.5994 -12.5989 -12.5989 -2.1216 -2.1216 -2.1200 -2.1200 -0.7917 -0.7917 -0.7887 -0.7887 -0.4593 -0.4593 -0.4556 -0.4556 0.3053 0.3053 0.3164 0.3164 1.4112 1.4112 1.4253 1.4253 1.8844 1.8844 1.9181 1.9181 2.1098 2.1098 2.1869 2.1869 2.2424 2.2424 2.3396 2.3396 2.4872 2.4872 2.5033 2.5033 3.6974 3.6974 3.7085 3.7085 4.0649 4.0649 4.0679 4.0679 4.6485 4.6485 4.6650 4.6650 5.1914 5.1914 5.1978 5.1978 6.0782 6.0782 6.0790 6.0790 11.6172 11.6172 11.6184 11.6184 13.5955 13.5955 13.5976 13.5976 15.3669 15.3669 15.3672 15.3672 17.3278 17.3278 k = 0.7122 0.0354-0.2867 ( 3436 PWs) bands (ev): -15.7800 -15.7800 -15.7799 -15.7799 -12.8366 -12.8366 -12.8361 -12.8361 -12.5964 -12.5964 -12.5959 -12.5959 -2.1531 -2.1531 -2.1514 -2.1514 -0.7822 -0.7822 -0.7791 -0.7791 -0.4623 -0.4623 -0.4581 -0.4581 0.2922 0.2922 0.3040 0.3040 1.4269 1.4269 1.4384 1.4384 1.8803 1.8803 1.9106 1.9106 2.1220 2.1220 2.1982 2.1982 2.2446 2.2446 2.3456 2.3456 2.4842 2.4842 2.5059 2.5059 3.7289 3.7289 3.7384 3.7384 4.0645 4.0645 4.0666 4.0666 4.6698 4.6698 4.6858 4.6858 5.1942 5.1942 5.2008 5.2008 6.0423 6.0423 6.0433 6.0433 11.5702 11.5702 11.5714 11.5714 13.6153 13.6153 13.6174 13.6174 15.3973 15.3973 15.3974 15.3974 17.3296 17.3296 k = 0.7049 0.0419-0.2717 ( 3436 PWs) bands (ev): -15.7846 -15.7846 -15.7846 -15.7846 -12.8295 -12.8295 -12.8290 -12.8290 -12.5935 -12.5935 -12.5931 -12.5931 -2.1850 -2.1850 -2.1833 -2.1833 -0.7735 -0.7735 -0.7703 -0.7703 -0.4654 -0.4654 -0.4608 -0.4608 0.2792 0.2792 0.2915 0.2915 1.4428 1.4428 1.4516 1.4516 1.8750 1.8750 1.9017 1.9017 2.1341 2.1341 2.2094 2.2094 2.2474 2.2474 2.3517 2.3517 2.4815 2.4815 2.5085 2.5085 3.7628 3.7628 3.7708 3.7708 4.0675 4.0675 4.0687 4.0687 4.6903 4.6903 4.7058 4.7058 5.1965 5.1965 5.2032 5.2032 6.0049 6.0049 6.0061 6.0061 11.5216 11.5216 11.5227 11.5227 13.6333 13.6333 13.6356 13.6356 15.4310 15.4310 15.4315 15.4315 17.3327 17.3327 k = 0.6976 0.0485-0.2568 ( 3444 PWs) bands (ev): -15.7895 -15.7895 -15.7894 -15.7894 -12.8218 -12.8218 -12.8214 -12.8214 -12.5907 -12.5907 -12.5903 -12.5903 -2.2172 -2.2172 -2.2155 -2.2155 -0.7653 -0.7653 -0.7621 -0.7621 -0.4690 -0.4690 -0.4640 -0.4640 0.2664 0.2664 0.2791 0.2791 1.4586 1.4586 1.4647 1.4647 1.8686 1.8686 1.8915 1.8915 2.1463 2.1463 2.2201 2.2201 2.2509 2.2509 2.3578 2.3578 2.4791 2.4791 2.5113 2.5113 3.7986 3.7986 3.8055 3.8055 4.0740 4.0740 4.0745 4.0745 4.7097 4.7097 4.7248 4.7248 5.1983 5.1983 5.2051 5.2051 5.9662 5.9662 5.9677 5.9677 11.4715 11.4715 11.4726 11.4726 13.6494 13.6494 13.6517 13.6517 15.4685 15.4685 15.4694 15.4694 17.3371 17.3371 k = 0.6903 0.0550-0.2418 ( 3436 PWs) bands (ev): -15.7945 -15.7945 -15.7944 -15.7944 -12.8137 -12.8137 -12.8133 -12.8133 -12.5880 -12.5880 -12.5876 -12.5876 -2.2496 -2.2496 -2.2478 -2.2478 -0.7579 -0.7579 -0.7545 -0.7545 -0.4730 -0.4730 -0.4675 -0.4675 0.2542 0.2542 0.2673 0.2673 1.4741 1.4741 1.4776 1.4776 1.8613 1.8613 1.8805 1.8805 2.1582 2.1582 2.2303 2.2303 2.2553 2.2553 2.3641 2.3641 2.4772 2.4772 2.5142 2.5142 3.8361 3.8361 3.8420 3.8420 4.0841 4.0841 4.0841 4.0841 4.7282 4.7282 4.7430 4.7430 5.1997 5.1997 5.2065 5.2065 5.9264 5.9264 5.9282 5.9282 11.4204 11.4204 11.4214 11.4214 13.6632 13.6632 13.6657 13.6657 15.5097 15.5097 15.5110 15.5110 17.3427 17.3427 k = 0.6829 0.0615-0.2269 ( 3438 PWs) bands (ev): -15.7997 -15.7997 -15.7996 -15.7996 -12.8051 -12.8051 -12.8047 -12.8047 -12.5854 -12.5854 -12.5850 -12.5850 -2.2820 -2.2820 -2.2802 -2.2802 -0.7510 -0.7510 -0.7475 -0.7475 -0.4775 -0.4775 -0.4717 -0.4717 0.2428 0.2428 0.2561 0.2561 1.4890 1.4890 1.4900 1.4900 1.8530 1.8530 1.8686 1.8686 2.1698 2.1698 2.2393 2.2393 2.2608 2.2608 2.3703 2.3703 2.4759 2.4759 2.5173 2.5173 3.8744 3.8744 3.8796 3.8796 4.0977 4.0977 4.0979 4.0979 4.7457 4.7457 4.7601 4.7601 5.2005 5.2005 5.2073 5.2073 5.8857 5.8857 5.8879 5.8879 11.3684 11.3684 11.3693 11.3693 13.6746 13.6746 13.6772 13.6772 15.5546 15.5546 15.5565 15.5565 17.3497 17.3497 k = 0.6756 0.0680-0.2119 ( 3446 PWs) bands (ev): -15.8050 -15.8050 -15.8049 -15.8049 -12.7961 -12.7961 -12.7957 -12.7957 -12.5829 -12.5829 -12.5825 -12.5825 -2.3143 -2.3143 -2.3125 -2.3125 -0.7447 -0.7447 -0.7412 -0.7412 -0.4826 -0.4826 -0.4766 -0.4766 0.2325 0.2325 0.2459 0.2459 1.5018 1.5018 1.5031 1.5031 1.8439 1.8439 1.8562 1.8562 2.1809 2.1809 2.2465 2.2465 2.2680 2.2680 2.3765 2.3765 2.4753 2.4753 2.5205 2.5205 3.9130 3.9130 3.9177 3.9177 4.1155 4.1155 4.1157 4.1157 4.7623 4.7623 4.7764 4.7764 5.2008 5.2008 5.2076 5.2076 5.8444 5.8444 5.8469 5.8469 11.3157 11.3157 11.3165 11.3165 13.6834 13.6834 13.6861 13.6861 15.6033 15.6033 15.6057 15.6057 17.3579 17.3579 k = 0.6683 0.0745-0.1970 ( 3454 PWs) bands (ev): -15.8104 -15.8104 -15.8103 -15.8103 -12.7868 -12.7868 -12.7863 -12.7863 -12.5806 -12.5806 -12.5801 -12.5801 -2.3463 -2.3463 -2.3445 -2.3445 -0.7389 -0.7389 -0.7354 -0.7354 -0.4884 -0.4884 -0.4823 -0.4823 0.2233 0.2233 0.2366 0.2366 1.5128 1.5128 1.5164 1.5164 1.8343 1.8343 1.8434 1.8434 2.1914 2.1914 2.2516 2.2516 2.2771 2.2771 2.3827 2.3827 2.4757 2.4757 2.5239 2.5239 3.9510 3.9510 3.9554 3.9554 4.1377 4.1377 4.1378 4.1378 4.7781 4.7781 4.7919 4.7919 5.2006 5.2006 5.2074 5.2074 5.8027 5.8027 5.8056 5.8056 11.2626 11.2626 11.2634 11.2634 13.6895 13.6895 13.6924 13.6924 15.6558 15.6558 15.6587 15.6587 17.3672 17.3672 k = 0.6610 0.0810-0.1820 ( 3460 PWs) bands (ev): -15.8159 -15.8159 -15.8158 -15.8158 -12.7771 -12.7771 -12.7767 -12.7767 -12.5783 -12.5783 -12.5779 -12.5779 -2.3780 -2.3780 -2.3762 -2.3762 -0.7337 -0.7337 -0.7301 -0.7301 -0.4950 -0.4950 -0.4887 -0.4887 0.2153 0.2153 0.2286 0.2286 1.5231 1.5231 1.5285 1.5285 1.8241 1.8241 1.8306 1.8306 2.2011 2.2011 2.2553 2.2553 2.2877 2.2877 2.3890 2.3890 2.4770 2.4770 2.5274 2.5274 3.9877 3.9877 3.9919 3.9919 4.1641 4.1641 4.1646 4.1646 4.7931 4.7931 4.8066 4.8066 5.1999 5.1999 5.2067 5.2067 5.7607 5.7607 5.7641 5.7641 11.2094 11.2094 11.2101 11.2101 13.6930 13.6930 13.6959 13.6959 15.7119 15.7119 15.7153 15.7153 17.3776 17.3776 k = 0.6537 0.0875-0.1670 ( 3458 PWs) bands (ev): -15.8213 -15.8213 -15.8212 -15.8212 -12.7672 -12.7672 -12.7667 -12.7667 -12.5763 -12.5763 -12.5759 -12.5759 -2.4092 -2.4092 -2.4074 -2.4074 -0.7288 -0.7288 -0.7252 -0.7252 -0.5023 -0.5023 -0.4960 -0.4960 0.2087 0.2087 0.2217 0.2217 1.5325 1.5325 1.5396 1.5396 1.8138 1.8138 1.8179 1.8179 2.2099 2.2099 2.2578 2.2578 2.2993 2.2993 2.3954 2.3954 2.4793 2.4793 2.5310 2.5310 4.0228 4.0228 4.0269 4.0269 4.1946 4.1946 4.1957 4.1957 4.8074 4.8074 4.8206 4.8206 5.1988 5.1988 5.2056 5.2056 5.7189 5.7189 5.7227 5.7227 11.1563 11.1563 11.1568 11.1568 13.6938 13.6938 13.6968 13.6968 15.7716 15.7716 15.7756 15.7756 17.3890 17.3890 k = 0.6464 0.0941-0.1521 ( 3456 PWs) bands (ev): -15.8268 -15.8268 -15.8267 -15.8267 -12.7571 -12.7571 -12.7566 -12.7566 -12.5744 -12.5744 -12.5739 -12.5739 -2.4399 -2.4399 -2.4381 -2.4381 -0.7243 -0.7243 -0.7207 -0.7207 -0.5103 -0.5103 -0.5041 -0.5041 0.2034 0.2034 0.2161 0.2161 1.5410 1.5410 1.5495 1.5495 1.8034 1.8034 1.8055 1.8055 2.2177 2.2177 2.2596 2.2596 2.3115 2.3115 2.4019 2.4019 2.4826 2.4826 2.5346 2.5346 4.0562 4.0562 4.0601 4.0601 4.2285 4.2285 4.2303 4.2303 4.8214 4.8214 4.8341 4.8341 5.1973 5.1973 5.2040 5.2040 5.6773 5.6773 5.6816 5.6816 11.1034 11.1034 11.1038 11.1038 13.6921 13.6921 13.6952 13.6952 15.8348 15.8348 15.8393 15.8393 17.4013 17.4013 k = 0.6390 0.1006-0.1371 ( 3456 PWs) bands (ev): -15.8323 -15.8323 -15.8322 -15.8322 -12.7468 -12.7468 -12.7464 -12.7464 -12.5726 -12.5726 -12.5722 -12.5722 -2.4698 -2.4698 -2.4681 -2.4681 -0.7201 -0.7201 -0.7166 -0.7166 -0.5189 -0.5189 -0.5129 -0.5129 0.1994 0.1994 0.2117 0.2117 1.5486 1.5486 1.5581 1.5581 1.7930 1.7930 1.7937 1.7937 2.2244 2.2244 2.2607 2.2607 2.3242 2.3242 2.4086 2.4086 2.4868 2.4868 2.5382 2.5382 4.0883 4.0883 4.0917 4.0917 4.2650 4.2650 4.2673 4.2673 4.8352 4.8352 4.8475 4.8475 5.1953 5.1953 5.2020 5.2020 5.6363 5.6363 5.6411 5.6411 11.0510 11.0510 11.0514 11.0514 13.6880 13.6880 13.6912 13.6912 15.9012 15.9012 15.9063 15.9063 17.4143 17.4143 k = 0.6317 0.1071-0.1222 ( 3456 PWs) bands (ev): -15.8377 -15.8377 -15.8376 -15.8376 -12.7365 -12.7365 -12.7361 -12.7361 -12.5710 -12.5710 -12.5707 -12.5707 -2.4990 -2.4990 -2.4973 -2.4973 -0.7162 -0.7162 -0.7128 -0.7128 -0.5282 -0.5282 -0.5223 -0.5223 0.1965 0.1965 0.2084 0.2084 1.5553 1.5553 1.5654 1.5654 1.7825 1.7825 1.7830 1.7830 2.2299 2.2299 2.2612 2.2612 2.3373 2.3373 2.4155 2.4155 2.4917 2.4917 2.5416 2.5416 4.1193 4.1193 4.1221 4.1221 4.3026 4.3026 4.3055 4.3055 4.8491 4.8491 4.8608 4.8608 5.1930 5.1930 5.1996 5.1996 5.5960 5.5960 5.6013 5.6013 10.9994 10.9994 10.9997 10.9997 13.6817 13.6817 13.6850 13.6850 15.9708 15.9708 15.9764 15.9764 17.4280 17.4280 k = 0.6244 0.1136-0.1072 ( 3460 PWs) bands (ev): -15.8430 -15.8430 -15.8429 -15.8429 -12.7261 -12.7261 -12.7257 -12.7257 -12.5697 -12.5697 -12.5693 -12.5693 -2.5272 -2.5272 -2.5256 -2.5256 -0.7126 -0.7126 -0.7092 -0.7092 -0.5379 -0.5379 -0.5322 -0.5322 0.1948 0.1948 0.2061 0.2061 1.5611 1.5611 1.5715 1.5715 1.7722 1.7722 1.7734 1.7734 2.2343 2.2343 2.2612 2.2612 2.3506 2.3506 2.4226 2.4226 2.4972 2.4972 2.5449 2.5449 4.1496 4.1496 4.1515 4.1515 4.3403 4.3403 4.3436 4.3436 4.8636 4.8636 4.8746 4.8746 5.1904 5.1904 5.1968 5.1968 5.5567 5.5567 5.5625 5.5625 10.9487 10.9487 10.9489 10.9489 13.6735 13.6735 13.6768 13.6768 16.0433 16.0433 16.0495 16.0495 17.4421 17.4421 k = 0.6171 0.1201-0.0923 ( 3460 PWs) bands (ev): -15.8481 -15.8481 -15.8480 -15.8480 -12.7158 -12.7158 -12.7154 -12.7154 -12.5685 -12.5685 -12.5681 -12.5681 -2.5545 -2.5545 -2.5529 -2.5529 -0.7091 -0.7091 -0.7059 -0.7059 -0.5479 -0.5479 -0.5426 -0.5426 0.1940 0.1940 0.2047 0.2047 1.5660 1.5660 1.5763 1.5763 1.7630 1.7630 1.7645 1.7645 2.2376 2.2376 2.2608 2.2608 2.3641 2.3641 2.4299 2.4299 2.5032 2.5032 2.5478 2.5478 4.1795 4.1795 4.1803 4.1803 4.3769 4.3769 4.3804 4.3804 4.8789 4.8789 4.8891 4.8891 5.1874 5.1874 5.1937 5.1937 5.5187 5.5187 5.5248 5.5248 10.8992 10.8992 10.8993 10.8993 13.6637 13.6637 13.6669 13.6669 16.1186 16.1186 16.1253 16.1253 17.4565 17.4565 k = 0.6098 0.1266-0.0773 ( 3458 PWs) bands (ev): -15.8531 -15.8531 -15.8531 -15.8531 -12.7055 -12.7055 -12.7051 -12.7051 -12.5675 -12.5675 -12.5672 -12.5672 -2.5806 -2.5806 -2.5791 -2.5791 -0.7059 -0.7059 -0.7029 -0.7029 -0.5582 -0.5582 -0.5532 -0.5532 0.1940 0.1940 0.2041 0.2041 1.5700 1.5700 1.5798 1.5798 1.7549 1.7549 1.7564 1.7564 2.2400 2.2400 2.2600 2.2600 2.3778 2.3778 2.4374 2.4374 2.5094 2.5094 2.5505 2.5505 4.2084 4.2084 4.2089 4.2089 4.4116 4.4116 4.4150 4.4150 4.8955 4.8955 4.9048 4.9048 5.1840 5.1840 5.1902 5.1902 5.4822 5.4822 5.4886 5.4886 10.8511 10.8511 10.8512 10.8512 13.6524 13.6524 13.6557 13.6557 16.1964 16.1964 16.2037 16.2037 17.4712 17.4712 k = 0.6024 0.1331-0.0624 ( 3466 PWs) bands (ev): -15.8580 -15.8580 -15.8579 -15.8579 -12.6954 -12.6954 -12.6950 -12.6950 -12.5668 -12.5668 -12.5665 -12.5665 -2.6055 -2.6055 -2.6041 -2.6041 -0.7028 -0.7028 -0.7000 -0.7000 -0.5685 -0.5685 -0.5640 -0.5640 0.1947 0.1947 0.2041 0.2041 1.5731 1.5731 1.5822 1.5822 1.7480 1.7480 1.7492 1.7492 2.2415 2.2415 2.2589 2.2589 2.3914 2.3914 2.4450 2.4450 2.5156 2.5156 2.5528 2.5528 4.2356 4.2356 4.2377 4.2377 4.4437 4.4437 4.4469 4.4469 4.9134 4.9134 4.9218 4.9218 5.1802 5.1802 5.1862 5.1862 5.4475 5.4475 5.4541 5.4541 10.8046 10.8046 10.8047 10.8047 13.6401 13.6401 13.6432 13.6432 16.2765 16.2765 16.2845 16.2845 17.4858 17.4858 k = 0.5951 0.1396-0.0474 ( 3460 PWs) bands (ev): -15.8626 -15.8626 -15.8625 -15.8625 -12.6855 -12.6855 -12.6851 -12.6851 -12.5663 -12.5663 -12.5660 -12.5660 -2.6292 -2.6292 -2.6278 -2.6278 -0.6999 -0.6999 -0.6972 -0.6972 -0.5788 -0.5788 -0.5746 -0.5746 0.1960 0.1960 0.2047 0.2047 1.5755 1.5755 1.5836 1.5836 1.7423 1.7423 1.7430 1.7430 2.2423 2.2423 2.2575 2.2575 2.4049 2.4049 2.4527 2.4527 2.5219 2.5219 2.5547 2.5547 4.2617 4.2617 4.2655 4.2655 4.4731 4.4731 4.4759 4.4759 4.9326 4.9326 4.9401 4.9401 5.1759 5.1759 5.1818 5.1818 5.4148 5.4148 5.4216 5.4216 10.7600 10.7600 10.7601 10.7601 13.6270 13.6270 13.6300 13.6300 16.3588 16.3588 16.3673 16.3673 17.5002 17.5002 k = 0.5878 0.1462-0.0325 ( 3462 PWs) bands (ev): -15.8670 -15.8670 -15.8669 -15.8669 -12.6758 -12.6758 -12.6755 -12.6755 -12.5661 -12.5661 -12.5658 -12.5658 -2.6515 -2.6515 -2.6501 -2.6501 -0.6971 -0.6971 -0.6947 -0.6947 -0.5890 -0.5890 -0.5852 -0.5852 0.1976 0.1976 0.2057 0.2057 1.5771 1.5771 1.5840 1.5840 1.7378 1.7378 1.7378 1.7378 2.2425 2.2425 2.2560 2.2560 2.4183 2.4183 2.4602 2.4602 2.5278 2.5278 2.5562 2.5562 4.2861 4.2861 4.2919 4.2919 4.5001 4.5001 4.5020 4.5020 4.9528 4.9528 4.9594 4.9594 5.1709 5.1709 5.1768 5.1768 5.3847 5.3847 5.3914 5.3914 10.7175 10.7175 10.7176 10.7176 13.6134 13.6134 13.6163 13.6163 16.4429 16.4429 16.4522 16.4522 17.5144 17.5144 k = 0.5805 0.1527-0.0175 ( 3466 PWs) bands (ev): -15.8711 -15.8711 -15.8711 -15.8711 -12.6664 -12.6664 -12.6661 -12.6661 -12.5662 -12.5662 -12.5659 -12.5659 -2.6723 -2.6723 -2.6710 -2.6710 -0.6945 -0.6945 -0.6923 -0.6923 -0.5988 -0.5988 -0.5954 -0.5954 0.1995 0.1995 0.2069 0.2069 1.5780 1.5780 1.5837 1.5837 1.7336 1.7336 1.7343 1.7343 2.2423 2.2423 2.2542 2.2542 2.4313 2.4313 2.4677 2.4677 2.5334 2.5334 2.5572 2.5572 4.3084 4.3084 4.3161 4.3161 4.5253 4.5253 4.5262 4.5262 4.9730 4.9730 4.9787 4.9787 5.1656 5.1656 5.1713 5.1713 5.3574 5.3574 5.3639 5.3639 10.6773 10.6773 10.6774 10.6774 13.5995 13.5995 13.6023 13.6023 16.5288 16.5288 16.5387 16.5387 17.5280 17.5280 k = 0.5732 0.1592-0.0026 ( 3474 PWs) bands (ev): -15.8750 -15.8750 -15.8749 -15.8749 -12.6573 -12.6573 -12.6570 -12.6570 -12.5665 -12.5665 -12.5663 -12.5663 -2.6916 -2.6916 -2.6904 -2.6904 -0.6919 -0.6919 -0.6900 -0.6900 -0.6082 -0.6082 -0.6053 -0.6053 0.2016 0.2016 0.2083 0.2083 1.5782 1.5782 1.5828 1.5828 1.7304 1.7304 1.7317 1.7317 2.2417 2.2417 2.2524 2.2524 2.4439 2.4439 2.4749 2.4749 2.5384 2.5384 2.5578 2.5578 4.3280 4.3280 4.3374 4.3374 4.5494 4.5494 4.5497 4.5497 4.9916 4.9916 4.9965 4.9965 5.1603 5.1603 5.1659 5.1659 5.3335 5.3335 5.3396 5.3396 10.6396 10.6396 10.6398 10.6398 13.5858 13.5858 13.5884 13.5884 16.6162 16.6162 16.6268 16.6268 17.5410 17.5410 k = 0.5659 0.1657 0.0124 ( 3478 PWs) bands (ev): -15.8786 -15.8786 -15.8785 -15.8785 -12.6485 -12.6485 -12.6483 -12.6483 -12.5671 -12.5671 -12.5669 -12.5669 -2.7092 -2.7092 -2.7082 -2.7082 -0.6895 -0.6895 -0.6879 -0.6879 -0.6171 -0.6171 -0.6146 -0.6146 0.2037 0.2037 0.2097 0.2097 1.5781 1.5781 1.5815 1.5815 1.7281 1.7281 1.7299 1.7299 2.2410 2.2410 2.2505 2.2505 2.4561 2.4561 2.4819 2.4819 2.5429 2.5429 2.5580 2.5580 4.3444 4.3444 4.3552 4.3552 4.5728 4.5728 4.5742 4.5742 5.0064 5.0064 5.0104 5.0104 5.1563 5.1563 5.1617 5.1617 5.3133 5.3133 5.3189 5.3189 10.6048 10.6048 10.6049 10.6049 13.5725 13.5725 13.5749 13.5749 16.7049 16.7049 16.7162 16.7162 17.5532 17.5532 k = 0.5585 0.1722 0.0273 ( 3476 PWs) bands (ev): -15.8818 -15.8818 -15.8817 -15.8817 -12.6402 -12.6402 -12.6400 -12.6400 -12.5681 -12.5681 -12.5679 -12.5679 -2.7252 -2.7252 -2.7243 -2.7243 -0.6872 -0.6872 -0.6858 -0.6858 -0.6255 -0.6255 -0.6234 -0.6234 0.2059 0.2059 0.2112 0.2112 1.5776 1.5776 1.5800 1.5800 1.7265 1.7265 1.7288 1.7288 2.2402 2.2402 2.2486 2.2486 2.4677 2.4677 2.4886 2.4886 2.5467 2.5467 2.5577 2.5577 4.3574 4.3574 4.3690 4.3690 4.5974 4.5974 4.5997 4.5997 5.0145 5.0145 5.0172 5.0172 5.1559 5.1559 5.1607 5.1607 5.2968 5.2968 5.3017 5.3017 10.5729 10.5729 10.5731 10.5731 13.5599 13.5599 13.5620 13.5620 16.7946 16.7946 16.8066 16.8066 17.5645 17.5645 k = 0.5512 0.1787 0.0423 ( 3474 PWs) bands (ev): -15.8847 -15.8847 -15.8846 -15.8846 -12.6322 -12.6322 -12.6320 -12.6320 -12.5694 -12.5694 -12.5692 -12.5692 -2.7395 -2.7395 -2.7386 -2.7386 -0.6850 -0.6850 -0.6839 -0.6839 -0.6331 -0.6331 -0.6314 -0.6314 0.2079 0.2079 0.2125 0.2125 1.5768 1.5768 1.5785 1.5785 1.7257 1.7257 1.7281 1.7281 2.2393 2.2393 2.2468 2.2468 2.4787 2.4787 2.4951 2.4951 2.5496 2.5496 2.5571 2.5571 4.3671 4.3671 4.3789 4.3789 4.6237 4.6237 4.6265 4.6265 5.0133 5.0133 5.0147 5.0147 5.1608 5.1608 5.1647 5.1647 5.2839 5.2839 5.2880 5.2880 10.5443 10.5443 10.5444 10.5444 13.5481 13.5481 13.5500 13.5500 16.8851 16.8851 16.8979 16.8979 17.5746 17.5746 k = 0.5439 0.1852 0.0573 ( 3468 PWs) bands (ev): -15.8872 -15.8872 -15.8872 -15.8872 -12.6247 -12.6247 -12.6246 -12.6246 -12.5711 -12.5711 -12.5709 -12.5709 -2.7519 -2.7519 -2.7512 -2.7512 -0.6828 -0.6828 -0.6820 -0.6820 -0.6401 -0.6401 -0.6388 -0.6388 0.2098 0.2098 0.2138 0.2138 1.5759 1.5759 1.5770 1.5770 1.7253 1.7253 1.7277 1.7277 2.2385 2.2385 2.2450 2.2450 2.4890 2.4890 2.5012 2.5012 2.5518 2.5518 2.5561 2.5561 4.3740 4.3740 4.3853 4.3853 4.6519 4.6519 4.6549 4.6549 5.0028 5.0028 5.0030 5.0030 5.1706 5.1706 5.1735 5.1735 5.2739 5.2739 5.2772 5.2772 10.5190 10.5190 10.5191 10.5191 13.5374 13.5374 13.5391 13.5391 16.9761 16.9761 16.9897 16.9897 17.5836 17.5836 k = 0.5366 0.1918 0.0722 ( 3466 PWs) bands (ev): -15.8894 -15.8894 -15.8894 -15.8894 -12.6177 -12.6177 -12.6175 -12.6175 -12.5731 -12.5731 -12.5730 -12.5730 -2.7625 -2.7625 -2.7619 -2.7619 -0.6808 -0.6808 -0.6802 -0.6802 -0.6463 -0.6463 -0.6453 -0.6453 0.2116 0.2116 0.2148 0.2148 1.5750 1.5750 1.5756 1.5756 1.7253 1.7253 1.7275 1.7275 2.2379 2.2379 2.2433 2.2433 2.4984 2.4984 2.5068 2.5068 2.5531 2.5531 2.5547 2.5547 4.3787 4.3787 4.3888 4.3888 4.6818 4.6818 4.6845 4.6845 4.9842 4.9842 4.9848 4.9848 5.1830 5.1830 5.1852 5.1852 5.2662 5.2662 5.2687 5.2687 10.4973 10.4973 10.4974 10.4974 13.5281 13.5281 13.5295 13.5295 17.0671 17.0671 17.0816 17.0816 17.5912 17.5912 k = 0.5293 0.1983 0.0872 ( 3464 PWs) bands (ev): -15.8912 -15.8912 -15.8912 -15.8912 -12.6111 -12.6111 -12.6110 -12.6110 -12.5755 -12.5755 -12.5754 -12.5754 -2.7713 -2.7713 -2.7708 -2.7708 -0.6787 -0.6787 -0.6784 -0.6784 -0.6517 -0.6517 -0.6511 -0.6511 0.2131 0.2131 0.2157 0.2157 1.5741 1.5741 1.5745 1.5745 1.7255 1.7255 1.7275 1.7275 2.2373 2.2373 2.2417 2.2417 2.5067 2.5067 2.5120 2.5120 2.5532 2.5532 2.5535 2.5535 4.3818 4.3818 4.3904 4.3904 4.7131 4.7131 4.7153 4.7153 4.9606 4.9606 4.9617 4.9617 5.1960 5.1960 5.1977 5.1977 5.2601 5.2601 5.2619 5.2619 10.4793 10.4793 10.4794 10.4794 13.5202 13.5202 13.5214 13.5214 17.1576 17.1576 17.1728 17.1728 17.5971 17.5971 k = 0.5220 0.2048 0.1021 ( 3462 PWs) bands (ev): -15.8926 -15.8926 -15.8926 -15.8926 -12.6050 -12.6050 -12.6049 -12.6049 -12.5784 -12.5784 -12.5783 -12.5783 -2.7781 -2.7781 -2.7777 -2.7777 -0.6767 -0.6767 -0.6766 -0.6766 -0.6564 -0.6564 -0.6561 -0.6561 0.2143 0.2143 0.2163 0.2163 1.5734 1.5734 1.5735 1.5735 1.7258 1.7258 1.7274 1.7274 2.2370 2.2370 2.2404 2.2404 2.5138 2.5138 2.5166 2.5166 2.5516 2.5516 2.5531 2.5531 4.3839 4.3839 4.3905 4.3905 4.7451 4.7451 4.7468 4.7468 4.9339 4.9339 4.9351 4.9351 5.2081 5.2081 5.2094 5.2094 5.2551 5.2551 5.2563 5.2563 10.4652 10.4652 10.4653 10.4653 13.5140 13.5140 13.5149 13.5149 17.2462 17.2462 17.2623 17.2623 17.6012 17.6012 k = 0.5146 0.2113 0.1171 ( 3462 PWs) bands (ev): -15.8936 -15.8936 -15.8936 -15.8936 -12.5994 -12.5994 -12.5993 -12.5993 -12.5817 -12.5817 -12.5816 -12.5816 -2.7829 -2.7829 -2.7827 -2.7827 -0.6748 -0.6748 -0.6748 -0.6748 -0.6603 -0.6603 -0.6601 -0.6601 0.2154 0.2154 0.2166 0.2166 1.5728 1.5728 1.5728 1.5728 1.7263 1.7263 1.7274 1.7274 2.2370 2.2370 2.2392 2.2392 2.5194 2.5194 2.5204 2.5204 2.5502 2.5502 2.5521 2.5521 4.3854 4.3854 4.3899 4.3899 4.7776 4.7776 4.7786 4.7786 4.9052 4.9052 4.9061 4.9061 5.2185 5.2185 5.2195 5.2195 5.2507 5.2507 5.2513 5.2513 10.4550 10.4550 10.4551 10.4551 13.5095 13.5095 13.5101 13.5101 17.3305 17.3305 17.3468 17.3468 17.6031 17.6031 k = 0.5073 0.2178 0.1320 ( 3458 PWs) bands (ev): -15.8942 -15.8942 -15.8942 -15.8942 -12.5943 -12.5943 -12.5942 -12.5942 -12.5854 -12.5854 -12.5853 -12.5853 -2.7858 -2.7858 -2.7857 -2.7857 -0.6731 -0.6731 -0.6730 -0.6730 -0.6632 -0.6632 -0.6632 -0.6632 0.2161 0.2161 0.2167 0.2167 1.5724 1.5724 1.5724 1.5724 1.7266 1.7266 1.7272 1.7272 2.2372 2.2372 2.2383 2.2383 2.5230 2.5230 2.5231 2.5231 2.5495 2.5495 2.5508 2.5508 4.3866 4.3866 4.3889 4.3889 4.8099 4.8099 4.8103 4.8103 4.8752 4.8752 4.8758 4.8758 5.2264 5.2264 5.2271 5.2271 5.2468 5.2468 5.2469 5.2469 10.4489 10.4489 10.4489 10.4489 13.5069 13.5069 13.5071 13.5071 17.4033 17.4033 17.4166 17.4166 17.6028 17.6028 k = 0.5000 0.2243 0.1470 ( 3452 PWs) bands (ev): -15.8944 -15.8944 -15.8944 -15.8944 -12.5902 -12.5902 -12.5902 -12.5902 -12.5889 -12.5889 -12.5889 -12.5889 -2.7868 -2.7868 -2.7868 -2.7868 -0.6722 -0.6722 -0.6722 -0.6722 -0.6644 -0.6644 -0.6644 -0.6644 0.2166 0.2166 0.2166 0.2166 1.5723 1.5723 1.5723 1.5723 1.7270 1.7270 1.7270 1.7270 2.2376 2.2376 2.2376 2.2376 2.5242 2.5242 2.5242 2.5242 2.5498 2.5498 2.5498 2.5498 4.3878 4.3878 4.3878 4.3878 4.8356 4.8356 4.8356 4.8356 4.8506 4.8506 4.8506 4.8506 5.2301 5.2301 5.2301 5.2301 5.2447 5.2447 5.2447 5.2447 10.4469 10.4469 10.4469 10.4469 13.5061 13.5061 13.5061 13.5061 17.4424 17.4424 17.4424 17.4424 17.6076 17.6076 k = 0.5000 0.2243 0.1470 ( 3452 PWs) bands (ev): -15.8944 -15.8944 -15.8944 -15.8944 -12.5902 -12.5902 -12.5902 -12.5902 -12.5889 -12.5889 -12.5889 -12.5889 -2.7868 -2.7868 -2.7868 -2.7868 -0.6722 -0.6722 -0.6722 -0.6722 -0.6644 -0.6644 -0.6644 -0.6644 0.2166 0.2166 0.2166 0.2166 1.5723 1.5723 1.5723 1.5723 1.7270 1.7270 1.7270 1.7270 2.2376 2.2376 2.2376 2.2376 2.5242 2.5242 2.5242 2.5242 2.5498 2.5498 2.5498 2.5498 4.3878 4.3878 4.3878 4.3878 4.8356 4.8356 4.8356 4.8356 4.8506 4.8506 4.8506 4.8506 5.2301 5.2301 5.2301 5.2301 5.2447 5.2447 5.2447 5.2447 10.4469 10.4469 10.4469 10.4469 13.5061 13.5061 13.5061 13.5061 17.4424 17.4424 17.4424 17.4424 17.6076 17.6076 k = 0.4844 0.2173 0.1424 ( 3452 PWs) bands (ev): -15.9077 -15.9077 -15.8810 -15.8810 -12.5945 -12.5945 -12.5934 -12.5934 -12.5858 -12.5858 -12.5845 -12.5845 -2.7918 -2.7918 -2.7810 -2.7810 -0.6762 -0.6762 -0.6683 -0.6683 -0.6682 -0.6682 -0.6607 -0.6607 0.1526 0.1526 0.2800 0.2800 1.5525 1.5525 1.5920 1.5920 1.7024 1.7024 1.7514 1.7514 2.2329 2.2329 2.2421 2.2421 2.5064 2.5064 2.5371 2.5371 2.5428 2.5428 2.5631 2.5631 4.3646 4.3646 4.4110 4.4110 4.8172 4.8172 4.8296 4.8296 4.8506 4.8506 4.8683 4.8683 5.2118 5.2118 5.2278 5.2278 5.2516 5.2516 5.2647 5.2647 10.4231 10.4231 10.4723 10.4723 13.4218 13.4218 13.5904 13.5904 17.4408 17.4408 17.4450 17.4450 17.5897 17.5897 k = 0.4688 0.2103 0.1378 ( 3452 PWs) bands (ev): -15.9210 -15.9210 -15.8676 -15.8676 -12.5989 -12.5989 -12.5978 -12.5978 -12.5814 -12.5814 -12.5801 -12.5801 -2.7961 -2.7961 -2.7744 -2.7744 -0.6803 -0.6803 -0.6721 -0.6721 -0.6645 -0.6645 -0.6571 -0.6571 0.0882 0.0882 0.3427 0.3427 1.5326 1.5326 1.6114 1.6114 1.6777 1.6777 1.7756 1.7756 2.2281 2.2281 2.2464 2.2464 2.4894 2.4894 2.5251 2.5251 2.5622 2.5622 2.5772 2.5772 4.3416 4.3416 4.4342 4.4342 4.7958 4.7958 4.8055 4.8055 4.8619 4.8619 4.8820 4.8820 5.1974 5.1974 5.2145 5.2145 5.2755 5.2755 5.2873 5.2873 10.4011 10.4011 10.4993 10.4993 13.3378 13.3378 13.6750 13.6750 17.4403 17.4403 17.4482 17.4482 17.5724 17.5724 k = 0.4531 0.2033 0.1332 ( 3473 PWs) bands (ev): -15.9342 -15.9342 -15.8543 -15.8543 -12.6032 -12.6032 -12.6021 -12.6021 -12.5770 -12.5770 -12.5757 -12.5757 -2.7998 -2.7998 -2.7670 -2.7670 -0.6845 -0.6845 -0.6761 -0.6761 -0.6608 -0.6608 -0.6536 -0.6536 0.0235 0.0235 0.4047 0.4047 1.5127 1.5127 1.6305 1.6305 1.6531 1.6531 1.7993 1.7993 2.2230 2.2230 2.2503 2.2503 2.4731 2.4731 2.5136 2.5136 2.5824 2.5824 2.5919 2.5919 4.3187 4.3187 4.4573 4.4573 4.7716 4.7716 4.7787 4.7787 4.8694 4.8694 4.8915 4.8915 5.1874 5.1874 5.2054 5.2054 5.3013 5.3013 5.3117 5.3117 10.3811 10.3811 10.5277 10.5277 13.2541 13.2541 13.7595 13.7595 17.4408 17.4408 17.4519 17.4519 17.5558 17.5558 k = 0.4375 0.1963 0.1286 ( 3473 PWs) bands (ev): -15.9472 -15.9472 -15.8410 -15.8410 -12.6075 -12.6075 -12.6064 -12.6064 -12.5727 -12.5727 -12.5713 -12.5713 -2.8027 -2.8027 -2.7588 -2.7588 -0.6887 -0.6887 -0.6802 -0.6802 -0.6571 -0.6571 -0.6502 -0.6502 -0.0414 -0.0414 0.4657 0.4657 1.4928 1.4928 1.6286 1.6286 1.6494 1.6494 1.8226 1.8226 2.2179 2.2179 2.2542 2.2542 2.4577 2.4577 2.5027 2.5027 2.6036 2.6036 2.6077 2.6077 4.2962 4.2962 4.4804 4.4804 4.7450 4.7450 4.7497 4.7497 4.8728 4.8728 4.8965 4.8965 5.1823 5.1823 5.2007 5.2007 5.3284 5.3284 5.3376 5.3376 10.3632 10.3632 10.5573 10.5573 13.1707 13.1707 13.8442 13.8442 17.4423 17.4423 17.4557 17.4557 17.5404 17.5404 k = 0.4219 0.1893 0.1240 ( 3479 PWs) bands (ev): -15.9601 -15.9601 -15.8278 -15.8278 -12.6117 -12.6117 -12.6107 -12.6107 -12.5684 -12.5684 -12.5669 -12.5669 -2.8051 -2.8051 -2.7497 -2.7497 -0.6930 -0.6930 -0.6843 -0.6843 -0.6536 -0.6536 -0.6469 -0.6469 -0.1063 -0.1063 0.5257 0.5257 1.4730 1.4730 1.6043 1.6043 1.6678 1.6678 1.8452 1.8452 2.2127 2.2127 2.2577 2.2577 2.4431 2.4431 2.4922 2.4922 2.6243 2.6243 2.6256 2.6256 4.2739 4.2739 4.5032 4.5032 4.7162 4.7162 4.7186 4.7186 4.8726 4.8726 4.8971 4.8971 5.1821 5.1821 5.2004 5.2004 5.3565 5.3565 5.3644 5.3644 10.3475 10.3475 10.5879 10.5879 13.0876 13.0876 13.9288 13.9288 17.4441 17.4441 17.4593 17.4593 17.5265 17.5265 k = 0.4062 0.1823 0.1194 ( 3473 PWs) bands (ev): -15.9727 -15.9727 -15.8147 -15.8147 -12.6159 -12.6159 -12.6149 -12.6149 -12.5641 -12.5641 -12.5626 -12.5626 -2.8068 -2.8068 -2.7398 -2.7398 -0.6973 -0.6973 -0.6884 -0.6884 -0.6502 -0.6502 -0.6438 -0.6438 -0.1712 -0.1712 0.5846 0.5846 1.4535 1.4535 1.5803 1.5803 1.6857 1.6857 1.8672 1.8672 2.2075 2.2075 2.2611 2.2611 2.4292 2.4292 2.4823 2.4823 2.6420 2.6420 2.6485 2.6485 4.2521 4.2521 4.5257 4.5257 4.6856 4.6856 4.6859 4.6859 4.8692 4.8692 4.8939 4.8939 5.1863 5.1863 5.2041 5.2041 5.3851 5.3851 5.3918 5.3918 10.3341 10.3341 10.6194 10.6194 13.0049 13.0049 14.0134 14.0134 17.4451 17.4451 17.4627 17.4627 17.5150 17.5150 k = 0.3906 0.1753 0.1148 ( 3473 PWs) bands (ev): -15.9852 -15.9852 -15.8017 -15.8017 -12.6200 -12.6200 -12.6190 -12.6190 -12.5599 -12.5599 -12.5584 -12.5584 -2.8079 -2.8079 -2.7290 -2.7290 -0.7016 -0.7016 -0.6926 -0.6926 -0.6469 -0.6469 -0.6407 -0.6407 -0.2359 -0.2359 0.6421 0.6421 1.4341 1.4341 1.5567 1.5567 1.7032 1.7032 1.8883 1.8883 2.2023 2.2023 2.2641 2.2641 2.4160 2.4160 2.4727 2.4727 2.6606 2.6606 2.6722 2.6722 4.2307 4.2307 4.5478 4.5478 4.6516 4.6516 4.6533 4.6533 4.8631 4.8631 4.8876 4.8876 5.1943 5.1943 5.2111 5.2111 5.4139 5.4139 5.4194 5.4194 10.3231 10.3231 10.6516 10.6516 12.9227 12.9227 14.0980 14.0980 17.4429 17.4429 17.4668 17.4668 17.5067 17.5067 k = 0.3750 0.1682 0.1102 ( 3470 PWs) bands (ev): -15.9974 -15.9974 -15.7890 -15.7890 -12.6240 -12.6240 -12.6231 -12.6231 -12.5557 -12.5557 -12.5542 -12.5542 -2.8086 -2.8086 -2.7174 -2.7174 -0.7059 -0.7059 -0.6968 -0.6968 -0.6438 -0.6438 -0.6378 -0.6378 -0.3003 -0.3003 0.6983 0.6983 1.4151 1.4151 1.5335 1.5335 1.7201 1.7201 1.9085 1.9085 2.1973 2.1973 2.2669 2.2669 2.4036 2.4036 2.4636 2.4636 2.6803 2.6803 2.6967 2.6967 4.2098 4.2098 4.5692 4.5692 4.6165 4.6165 4.6195 4.6195 4.8550 4.8550 4.8792 4.8792 5.2051 5.2051 5.2209 5.2209 5.4427 5.4427 5.4471 5.4471 10.3145 10.3145 10.6843 10.6843 12.8410 12.8410 14.1823 14.1823 17.4362 17.4362 17.4714 17.4714 17.5022 17.5022 k = 0.3594 0.1612 0.1056 ( 3458 PWs) bands (ev): -16.0093 -16.0093 -15.7764 -15.7764 -12.6279 -12.6279 -12.6271 -12.6271 -12.5516 -12.5516 -12.5501 -12.5501 -2.8087 -2.8087 -2.7049 -2.7049 -0.7103 -0.7103 -0.7011 -0.7011 -0.6407 -0.6407 -0.6350 -0.6350 -0.3642 -0.3642 0.7529 0.7529 1.3964 1.3964 1.5109 1.5109 1.7364 1.7364 1.9276 1.9276 2.1924 2.1924 2.2695 2.2695 2.3920 2.3920 2.4549 2.4549 2.7010 2.7010 2.7220 2.7220 4.1895 4.1895 4.5754 4.5754 4.5845 4.5845 4.5951 4.5951 4.8456 4.8456 4.8692 4.8692 5.2181 5.2181 5.2329 5.2329 5.4712 5.4712 5.4745 5.4745 10.3084 10.3084 10.7173 10.7173 12.7599 12.7599 14.2665 14.2665 17.4259 17.4259 17.4741 17.4741 17.5023 17.5023 k = 0.3438 0.1542 0.1010 ( 3461 PWs) bands (ev): -16.0209 -16.0209 -15.7642 -15.7642 -12.6318 -12.6318 -12.6309 -12.6309 -12.5476 -12.5476 -12.5460 -12.5460 -2.8085 -2.8085 -2.6916 -2.6916 -0.7146 -0.7146 -0.7053 -0.7053 -0.6379 -0.6379 -0.6323 -0.6323 -0.4275 -0.4275 0.8059 0.8059 1.3782 1.3782 1.4888 1.4888 1.7521 1.7521 1.9456 1.9456 2.1874 2.1874 2.2718 2.2718 2.3809 2.3809 2.4465 2.4465 2.7229 2.7229 2.7482 2.7482 4.1699 4.1699 4.5401 4.5401 4.5485 4.5485 4.6138 4.6138 4.8353 4.8353 4.8583 4.8583 5.2326 5.2326 5.2464 5.2464 5.4993 5.4993 5.5015 5.5015 10.3049 10.3049 10.7505 10.7505 12.6793 12.6793 14.3505 14.3505 17.4133 17.4133 17.4706 17.4706 17.5084 17.5084 k = 0.3281 0.1472 0.0964 ( 3467 PWs) bands (ev): -16.0322 -16.0322 -15.7522 -15.7522 -12.6355 -12.6355 -12.6347 -12.6347 -12.5437 -12.5437 -12.5421 -12.5421 -2.8078 -2.8078 -2.6774 -2.6774 -0.7189 -0.7189 -0.7095 -0.7095 -0.6353 -0.6353 -0.6297 -0.6297 -0.4901 -0.4901 0.8572 0.8572 1.3604 1.3604 1.4673 1.4673 1.7671 1.7671 1.9623 1.9623 2.1828 2.1828 2.2737 2.2737 2.3704 2.3704 2.4385 2.4385 2.7457 2.7457 2.7750 2.7750 4.1509 4.1509 4.5019 4.5019 4.5116 4.5116 4.6341 4.6341 4.8245 4.8245 4.8469 4.8469 5.2481 5.2481 5.2611 5.2611 5.5267 5.5267 5.5279 5.5279 10.3039 10.3039 10.7836 10.7836 12.5995 12.5995 14.4341 14.4341 17.3992 17.3992 17.4602 17.4602 17.5194 17.5194 k = 0.3125 0.1402 0.0919 ( 3462 PWs) bands (ev): -16.0431 -16.0431 -15.7405 -15.7405 -12.6391 -12.6391 -12.6383 -12.6383 -12.5399 -12.5399 -12.5382 -12.5382 -2.8068 -2.8068 -2.6624 -2.6624 -0.7231 -0.7231 -0.7136 -0.7136 -0.6331 -0.6331 -0.6273 -0.6273 -0.5515 -0.5515 0.9067 0.9067 1.3431 1.3431 1.4465 1.4465 1.7814 1.7814 1.9777 1.9777 2.1785 2.1785 2.2755 2.2755 2.3606 2.3606 2.4308 2.4308 2.7697 2.7697 2.8026 2.8026 4.1326 4.1326 4.4630 4.4630 4.4741 4.4741 4.6541 4.6541 4.8135 4.8135 4.8353 4.8353 5.2643 5.2643 5.2766 5.2766 5.5534 5.5534 5.5537 5.5537 10.3055 10.3055 10.8165 10.8165 12.5205 12.5205 14.5174 14.5174 17.3835 17.3835 17.4436 17.4436 17.5105 17.5105 k = 0.2969 0.1332 0.0873 ( 3459 PWs) bands (ev): -16.0537 -16.0537 -15.7292 -15.7292 -12.6426 -12.6426 -12.6418 -12.6418 -12.5362 -12.5362 -12.5345 -12.5345 -2.8054 -2.8054 -2.6467 -2.6467 -0.7273 -0.7273 -0.7177 -0.7177 -0.6342 -0.6342 -0.6250 -0.6250 -0.6089 -0.6089 0.9542 0.9542 1.3265 1.3265 1.4265 1.4265 1.7950 1.7950 1.9917 1.9917 2.1747 2.1747 2.2770 2.2770 2.3514 2.3514 2.4236 2.4236 2.7948 2.7948 2.8309 2.8309 4.1150 4.1150 4.4236 4.4236 4.4361 4.4361 4.6735 4.6735 4.8026 4.8026 4.8239 4.8239 5.2808 5.2808 5.2925 5.2925 5.5785 5.5785 5.5793 5.5793 10.3097 10.3097 10.8490 10.8490 12.4424 12.4424 14.6003 14.6003 17.3649 17.3649 17.4220 17.4220 17.4979 17.4979 k = 0.2812 0.1262 0.0827 ( 3462 PWs) bands (ev): -16.0638 -16.0638 -15.7182 -15.7182 -12.6459 -12.6459 -12.6452 -12.6452 -12.5327 -12.5327 -12.5309 -12.5309 -2.8038 -2.8038 -2.6301 -2.6301 -0.7313 -0.7313 -0.7217 -0.7217 -0.6760 -0.6760 -0.6247 -0.6247 -0.6228 -0.6228 0.9997 0.9997 1.3104 1.3104 1.4073 1.4073 1.8078 1.8078 2.0041 2.0041 2.1712 2.1712 2.2783 2.2783 2.3428 2.3428 2.4166 2.4166 2.8207 2.8207 2.8598 2.8598 4.0983 4.0983 4.3840 4.3840 4.3977 4.3977 4.6924 4.6924 4.7918 4.7918 4.8127 4.8127 5.2975 5.2975 5.3088 5.3088 5.6024 5.6024 5.6041 5.6041 10.3164 10.3164 10.8810 10.8810 12.3652 12.3652 14.6827 14.6827 17.3404 17.3404 17.3984 17.3984 17.4859 17.4859 k = 0.2656 0.1192 0.0781 ( 3462 PWs) bands (ev): -16.0736 -16.0736 -15.7077 -15.7077 -12.6491 -12.6491 -12.6485 -12.6485 -12.5293 -12.5293 -12.5275 -12.5275 -2.8020 -2.8020 -2.6129 -2.6129 -0.7353 -0.7353 -0.7338 -0.7338 -0.7257 -0.7257 -0.6235 -0.6235 -0.6207 -0.6207 1.0432 1.0432 1.2949 1.2949 1.3888 1.3888 1.8199 1.8199 2.0150 2.0150 2.1683 2.1683 2.2794 2.2794 2.3348 2.3348 2.4101 2.4101 2.8476 2.8476 2.8892 2.8892 4.0823 4.0823 4.3441 4.3441 4.3591 4.3591 4.7106 4.7106 4.7814 4.7814 4.8018 4.8018 5.3142 5.3142 5.3251 5.3251 5.6252 5.6252 5.6279 5.6279 10.3257 10.3257 10.9123 10.9123 12.2891 12.2891 14.7646 14.7646 17.3058 17.3058 17.3773 17.3773 17.4744 17.4744 k = 0.2500 0.1122 0.0735 ( 3462 PWs) bands (ev): -16.0828 -16.0828 -15.6976 -15.6976 -12.6522 -12.6522 -12.6515 -12.6515 -12.5260 -12.5260 -12.5242 -12.5242 -2.8000 -2.8000 -2.5951 -2.5951 -0.7910 -0.7910 -0.7392 -0.7392 -0.7295 -0.7295 -0.6216 -0.6216 -0.6188 -0.6188 1.0844 1.0844 1.2802 1.2802 1.3713 1.3713 1.8313 1.8313 2.0243 2.0243 2.1661 2.1661 2.2802 2.2802 2.3274 2.3274 2.4041 2.4041 2.8752 2.8752 2.9191 2.9191 4.0672 4.0672 4.3043 4.3043 4.3205 4.3205 4.7281 4.7281 4.7713 4.7713 4.7914 4.7914 5.3306 5.3306 5.3413 5.3413 5.6469 5.6469 5.6506 5.6506 10.3374 10.3374 10.9426 10.9426 12.2141 12.2141 14.8460 14.8460 17.2603 17.2603 17.3604 17.3604 17.4636 17.4636 k = 0.2344 0.1052 0.0689 ( 3462 PWs) bands (ev): -16.0917 -16.0917 -15.6879 -15.6879 -12.6551 -12.6551 -12.6545 -12.6545 -12.5228 -12.5228 -12.5210 -12.5210 -2.7979 -2.7979 -2.5767 -2.5767 -0.8469 -0.8469 -0.7430 -0.7430 -0.7333 -0.7333 -0.6197 -0.6197 -0.6170 -0.6170 1.1233 1.1233 1.2661 1.2661 1.3546 1.3546 1.8419 1.8419 2.0319 2.0319 2.1645 2.1645 2.2809 2.2809 2.3205 2.3205 2.3984 2.3984 2.9036 2.9036 2.9493 2.9493 4.0530 4.0530 4.2646 4.2646 4.2819 4.2819 4.7448 4.7448 4.7617 4.7617 4.7815 4.7815 5.3467 5.3467 5.3572 5.3572 5.6675 5.6675 5.6720 5.6720 10.3514 10.3514 10.9720 10.9720 12.1405 12.1405 14.9268 14.9268 17.2062 17.2062 17.3464 17.3464 17.4533 17.4533 k = 0.2188 0.0981 0.0643 ( 3471 PWs) bands (ev): -16.1000 -16.1000 -15.6788 -15.6788 -12.6579 -12.6579 -12.6573 -12.6573 -12.5199 -12.5199 -12.5180 -12.5180 -2.7956 -2.7956 -2.5579 -2.5579 -0.9013 -0.9013 -0.7466 -0.7466 -0.7369 -0.7369 -0.6178 -0.6178 -0.6152 -0.6152 1.1600 1.1600 1.2528 1.2528 1.3389 1.3389 1.8517 1.8517 2.0379 2.0379 2.1636 2.1636 2.2814 2.2814 2.3142 2.3142 2.3932 2.3932 2.9325 2.9325 2.9798 2.9798 4.0397 4.0397 4.2251 4.2251 4.2436 4.2436 4.7525 4.7525 4.7603 4.7603 4.7726 4.7726 5.3624 5.3624 5.3728 5.3728 5.6868 5.6868 5.6922 5.6922 10.3677 10.3677 11.0001 11.0001 12.0683 12.0683 15.0070 15.0070 17.1460 17.1460 17.3343 17.3343 17.4437 17.4437 k = 0.2031 0.0911 0.0597 ( 3465 PWs) bands (ev): -16.1078 -16.1078 -15.6701 -15.6701 -12.6605 -12.6605 -12.6599 -12.6599 -12.5171 -12.5171 -12.5152 -12.5152 -2.7934 -2.7934 -2.5387 -2.5387 -0.9538 -0.9538 -0.7501 -0.7501 -0.7403 -0.7403 -0.6160 -0.6160 -0.6137 -0.6137 1.1942 1.1942 1.2404 1.2404 1.3243 1.3243 1.8609 1.8609 2.0425 2.0425 2.1634 2.1634 2.2818 2.2818 2.3084 2.3084 2.3885 2.3885 2.9619 2.9619 3.0105 3.0105 4.0272 4.0272 4.1861 4.1861 4.2056 4.2056 4.7439 4.7439 4.7624 4.7624 4.7769 4.7769 5.3775 5.3775 5.3878 5.3878 5.7049 5.7049 5.7111 5.7111 10.3860 10.3860 11.0270 11.0270 11.9978 11.9978 15.0864 15.0864 17.0813 17.0813 17.3234 17.3234 17.4347 17.4347 k = 0.1875 0.0841 0.0551 ( 3459 PWs) bands (ev): -16.1152 -16.1152 -15.6620 -15.6620 -12.6629 -12.6629 -12.6623 -12.6623 -12.5144 -12.5144 -12.5125 -12.5125 -2.7911 -2.7911 -2.5193 -2.5193 -1.0043 -1.0043 -0.7534 -0.7534 -0.7436 -0.7436 -0.6143 -0.6143 -0.6122 -0.6122 1.2260 1.2260 1.2287 1.2287 1.3107 1.3107 1.8693 1.8693 2.0457 2.0457 2.1639 2.1639 2.2819 2.2819 2.3032 2.3032 2.3844 2.3844 2.9915 2.9915 3.0412 3.0412 4.0157 4.0157 4.1476 4.1476 4.1680 4.1680 4.7359 4.7359 4.7545 4.7545 4.7909 4.7909 5.3919 5.3919 5.4023 5.4023 5.7216 5.7216 5.7286 5.7286 10.4063 10.4063 11.0524 11.0524 11.9291 11.9291 15.1652 15.1652 17.0136 17.0136 17.3136 17.3136 17.4263 17.4263 k = 0.1719 0.0771 0.0505 ( 3459 PWs) bands (ev): -16.1220 -16.1220 -15.6545 -15.6545 -12.6651 -12.6651 -12.6646 -12.6646 -12.5120 -12.5120 -12.5101 -12.5101 -2.7888 -2.7888 -2.4998 -2.4998 -1.0526 -1.0526 -0.7564 -0.7564 -0.7466 -0.7466 -0.6128 -0.6128 -0.6108 -0.6108 1.2179 1.2179 1.2549 1.2549 1.2984 1.2984 1.8769 1.8769 2.0477 2.0477 2.1648 2.1648 2.2820 2.2820 2.2984 2.2984 2.3806 2.3806 3.0213 3.0213 3.0718 3.0718 4.0051 4.0051 4.1098 4.1098 4.1312 4.1312 4.7285 4.7285 4.7469 4.7469 4.8042 4.8042 5.4056 5.4056 5.4160 5.4160 5.7370 5.7370 5.7448 5.7448 10.4283 10.4283 11.0763 11.0763 11.8625 11.8625 15.2431 15.2431 16.9437 16.9437 17.3046 17.3046 17.4186 17.4186 k = 0.1562 0.0701 0.0459 ( 3459 PWs) bands (ev): -16.1282 -16.1282 -15.6475 -15.6475 -12.6672 -12.6672 -12.6667 -12.6667 -12.5097 -12.5097 -12.5078 -12.5078 -2.7866 -2.7866 -2.4805 -2.4805 -1.0985 -1.0985 -0.7593 -0.7593 -0.7495 -0.7495 -0.6114 -0.6114 -0.6096 -0.6096 1.2079 1.2079 1.2776 1.2776 1.2910 1.2910 1.8838 1.8838 2.0487 2.0487 2.1660 2.1660 2.2819 2.2819 2.2941 2.2941 2.3773 2.3773 3.0509 3.0509 3.1020 3.1020 3.9954 3.9954 4.0731 4.0731 4.0952 4.0952 4.7217 4.7217 4.7400 4.7400 4.8166 4.8166 5.4184 5.4184 5.4290 5.4290 5.7511 5.7511 5.7595 5.7595 10.4518 10.4518 11.0984 11.0984 11.7983 11.7983 15.3202 15.3202 16.8726 16.8726 17.2965 17.2965 17.4115 17.4115 k = 0.1406 0.0631 0.0413 ( 3459 PWs) bands (ev): -16.1339 -16.1339 -15.6411 -15.6411 -12.6691 -12.6691 -12.6686 -12.6686 -12.5077 -12.5077 -12.5057 -12.5057 -2.7845 -2.7845 -2.4616 -2.4616 -1.1415 -1.1415 -0.7619 -0.7619 -0.7521 -0.7521 -0.6101 -0.6101 -0.6085 -0.6085 1.1988 1.1988 1.2736 1.2736 1.3087 1.3087 1.8901 1.8901 2.0490 2.0490 2.1675 2.1675 2.2817 2.2817 2.2902 2.2902 2.3744 2.3744 3.0801 3.0801 3.1317 3.1317 3.9866 3.9866 4.0375 4.0375 4.0603 4.0603 4.7155 4.7155 4.7336 4.7336 4.8280 4.8280 5.4303 5.4303 5.4410 5.4410 5.7638 5.7638 5.7729 5.7729 10.4764 10.4764 11.1188 11.1188 11.7367 11.7367 15.3964 15.3964 16.8007 16.8007 17.2892 17.2892 17.4051 17.4051 k = 0.1250 0.0561 0.0367 ( 3459 PWs) bands (ev): -16.1391 -16.1391 -15.6354 -15.6354 -12.6708 -12.6708 -12.6703 -12.6703 -12.5058 -12.5058 -12.5038 -12.5038 -2.7825 -2.7825 -2.4433 -2.4433 -1.1815 -1.1815 -0.7643 -0.7643 -0.7545 -0.7545 -0.6089 -0.6089 -0.6075 -0.6075 1.1907 1.1907 1.2646 1.2646 1.3300 1.3300 1.8956 1.8956 2.0487 2.0487 2.1690 2.1690 2.2814 2.2814 2.2868 2.2868 2.3719 2.3719 3.1086 3.1086 3.1606 3.1606 3.9785 3.9785 4.0036 4.0036 4.0269 4.0269 4.7099 4.7099 4.7279 4.7279 4.8383 4.8383 5.4412 5.4412 5.4520 5.4520 5.7751 5.7751 5.7848 5.7848 10.5018 10.5018 11.1373 11.1373 11.6783 11.6783 15.4715 15.4715 16.7286 16.7286 17.2827 17.2827 17.3994 17.3994 k = 0.1094 0.0491 0.0321 ( 3474 PWs) bands (ev): -16.1436 -16.1436 -15.6303 -15.6303 -12.6723 -12.6723 -12.6718 -12.6718 -12.5042 -12.5042 -12.5022 -12.5022 -2.7807 -2.7807 -2.4260 -2.4260 -1.2182 -1.2182 -0.7665 -0.7665 -0.7567 -0.7567 -0.6079 -0.6079 -0.6066 -0.6066 1.1834 1.1834 1.2563 1.2563 1.3491 1.3491 1.9004 1.9004 2.0480 2.0480 2.1705 2.1705 2.2810 2.2810 2.2838 2.2838 2.3698 2.3698 3.1359 3.1359 3.1882 3.1882 3.9679 3.9679 3.9748 3.9748 3.9951 3.9951 4.7049 4.7049 4.7228 4.7228 4.8476 4.8476 5.4509 5.4509 5.4619 5.4619 5.7850 5.7850 5.7954 5.7954 10.5273 10.5273 11.1538 11.1538 11.6235 11.6235 15.5455 15.5455 16.6569 16.6569 17.2770 17.2770 17.3943 17.3943 k = 0.0938 0.0421 0.0276 ( 3477 PWs) bands (ev): -16.1476 -16.1476 -15.6258 -15.6258 -12.6736 -12.6736 -12.6732 -12.6732 -12.5027 -12.5027 -12.5007 -12.5007 -2.7791 -2.7791 -2.4098 -2.4098 -1.2510 -1.2510 -0.7684 -0.7684 -0.7586 -0.7586 -0.6070 -0.6070 -0.6059 -0.6059 1.1771 1.1771 1.2490 1.2490 1.3658 1.3658 1.9045 1.9045 2.0472 2.0472 2.1718 2.1718 2.2805 2.2805 2.2813 2.2813 2.3682 2.3682 3.1617 3.1617 3.2142 3.2142 3.9402 3.9402 3.9656 3.9656 3.9665 3.9665 4.7007 4.7007 4.7184 4.7184 4.8557 4.8557 5.4596 5.4596 5.4707 5.4707 5.7937 5.7937 5.8045 5.8045 10.5525 10.5525 11.1682 11.1682 11.5730 11.5730 15.6180 15.6180 16.5859 16.5859 17.2720 17.2720 17.3899 17.3899 k = 0.0781 0.0351 0.0230 ( 3471 PWs) bands (ev): -16.1510 -16.1510 -15.6220 -15.6220 -12.6747 -12.6747 -12.6743 -12.6743 -12.5015 -12.5015 -12.4995 -12.4995 -2.7777 -2.7777 -2.3953 -2.3953 -1.2798 -1.2798 -0.7700 -0.7700 -0.7602 -0.7602 -0.6062 -0.6062 -0.6052 -0.6052 1.1718 1.1718 1.2428 1.2428 1.3800 1.3800 1.9080 1.9080 2.0465 2.0465 2.1731 2.1731 2.2793 2.2793 2.2801 2.2801 2.3669 2.3669 3.1854 3.1854 3.2381 3.2381 3.9132 3.9132 3.9388 3.9388 3.9613 3.9613 4.6970 4.6970 4.7147 4.7147 4.8627 4.8627 5.4670 5.4670 5.4783 5.4783 5.8010 5.8010 5.8122 5.8122 10.5765 10.5765 11.1806 11.1806 11.5275 11.5275 15.6886 15.6886 16.5164 16.5164 17.2678 17.2678 17.3862 17.3862 k = 0.0625 0.0280 0.0184 ( 3471 PWs) bands (ev): -16.1537 -16.1537 -15.6189 -15.6189 -12.6756 -12.6756 -12.6752 -12.6752 -12.5005 -12.5005 -12.4985 -12.4985 -2.7765 -2.7765 -2.3828 -2.3828 -1.3040 -1.3040 -0.7713 -0.7713 -0.7615 -0.7615 -0.6056 -0.6056 -0.6047 -0.6047 1.1674 1.1674 1.2376 1.2376 1.3916 1.3916 1.9108 1.9108 2.0456 2.0456 2.1742 2.1742 2.2775 2.2775 2.2798 2.2798 2.3658 2.3658 3.2063 3.2063 3.2592 3.2592 3.8894 3.8894 3.9153 3.9153 3.9571 3.9571 4.6941 4.6941 4.7117 4.7117 4.8684 4.8684 5.4732 5.4732 5.4846 5.4846 5.8069 5.8069 5.8185 5.8185 10.5984 10.5984 11.1908 11.1908 11.4881 11.4881 15.7565 15.7565 16.4492 16.4492 17.2643 17.2643 17.3831 17.3831 k = 0.0469 0.0210 0.0138 ( 3489 PWs) bands (ev): -16.1559 -16.1559 -15.6165 -15.6165 -12.6763 -12.6763 -12.6759 -12.6759 -12.4997 -12.4997 -12.4977 -12.4977 -2.7756 -2.7756 -2.3726 -2.3726 -1.3233 -1.3233 -0.7724 -0.7724 -0.7626 -0.7626 -0.6051 -0.6051 -0.6043 -0.6043 1.1639 1.1639 1.2336 1.2336 1.4006 1.4006 1.9129 1.9129 2.0449 2.0449 2.1749 2.1749 2.2761 2.2761 2.2795 2.2795 2.3650 2.3650 3.2237 3.2237 3.2767 3.2767 3.8698 3.8698 3.8958 3.8958 3.9538 3.9538 4.6917 4.6917 4.7093 4.7093 4.8729 4.8729 5.4780 5.4780 5.4895 5.4895 5.8115 5.8115 5.8234 5.8234 10.6171 10.6171 11.1988 11.1988 11.4556 11.4556 15.8199 15.8199 16.3862 16.3862 17.2616 17.2616 17.3807 17.3807 k = 0.0312 0.0140 0.0092 ( 3489 PWs) bands (ev): -16.1574 -16.1574 -15.6148 -15.6148 -12.6769 -12.6769 -12.6764 -12.6764 -12.4992 -12.4992 -12.4971 -12.4971 -2.7749 -2.7749 -2.3650 -2.3650 -1.3374 -1.3374 -0.7731 -0.7731 -0.7633 -0.7633 -0.6048 -0.6048 -0.6040 -0.6040 1.1614 1.1614 1.2307 1.2307 1.4071 1.4071 1.9144 1.9144 2.0443 2.0443 2.1755 2.1755 2.2752 2.2752 2.2793 2.2793 2.3645 2.3645 3.2369 3.2369 3.2899 3.2899 3.8550 3.8550 3.8812 3.8812 3.9515 3.9515 4.6901 4.6901 4.7076 4.7076 4.8761 4.8761 5.4815 5.4815 5.4930 5.4930 5.8148 5.8148 5.8269 5.8269 10.6316 10.6316 11.2045 11.2045 11.4313 11.4313 15.8756 15.8756 16.3309 16.3309 17.2597 17.2597 17.3790 17.3790 k = 0.0156 0.0070 0.0046 ( 3483 PWs) bands (ev): -16.1584 -16.1584 -15.6137 -15.6137 -12.6772 -12.6772 -12.6767 -12.6767 -12.4988 -12.4988 -12.4968 -12.4968 -2.7745 -2.7745 -2.3603 -2.3603 -1.3460 -1.3460 -0.7736 -0.7736 -0.7638 -0.7638 -0.6046 -0.6046 -0.6038 -0.6038 1.1600 1.1600 1.2290 1.2290 1.4110 1.4110 1.9154 1.9154 2.0440 2.0440 2.1759 2.1759 2.2746 2.2746 2.2793 2.2793 2.3642 2.3642 3.2452 3.2452 3.2983 3.2983 3.8459 3.8459 3.8721 3.8721 3.9501 3.9501 4.6891 4.6891 4.7066 4.7066 4.8781 4.8781 5.4836 5.4836 5.4952 5.4952 5.8168 5.8168 5.8290 5.8290 10.6408 10.6408 11.2079 11.2079 11.4163 11.4163 15.9166 15.9166 16.2900 16.2900 17.2586 17.2586 17.3780 17.3780 k = 0.0000 0.0000 0.0000 ( 3483 PWs) bands (ev): -16.1587 -16.1587 -15.6134 -15.6134 -12.6773 -12.6773 -12.6768 -12.6768 -12.4987 -12.4987 -12.4967 -12.4967 -2.7743 -2.7743 -2.3588 -2.3588 -1.3488 -1.3488 -0.7737 -0.7737 -0.7639 -0.7639 -0.6045 -0.6045 -0.6038 -0.6038 1.1595 1.1595 1.2284 1.2284 1.4123 1.4123 1.9157 1.9157 2.0439 2.0439 2.1760 2.1760 2.2744 2.2744 2.2792 2.2792 2.3641 2.3641 3.2480 3.2480 3.3011 3.3011 3.8427 3.8427 3.8690 3.8690 3.9497 3.9497 4.6888 4.6888 4.7062 4.7062 4.8787 4.8787 5.4843 5.4843 5.4959 5.4959 5.8174 5.8174 5.8297 5.8297 10.6440 10.6440 11.2091 11.2091 11.4112 11.4112 15.9325 15.9325 16.2742 16.2742 17.2582 17.2582 17.3777 17.3777 k = 0.0000 0.0000 0.0000 ( 3483 PWs) bands (ev): -16.1587 -16.1587 -15.6134 -15.6134 -12.6773 -12.6773 -12.6768 -12.6768 -12.4987 -12.4987 -12.4967 -12.4967 -2.7743 -2.7743 -2.3588 -2.3588 -1.3488 -1.3488 -0.7737 -0.7737 -0.7639 -0.7639 -0.6045 -0.6045 -0.6038 -0.6038 1.1595 1.1595 1.2284 1.2284 1.4123 1.4123 1.9157 1.9157 2.0439 2.0439 2.1760 2.1760 2.2744 2.2744 2.2792 2.2792 2.3641 2.3641 3.2480 3.2480 3.3011 3.3011 3.8427 3.8427 3.8690 3.8690 3.9497 3.9497 4.6888 4.6888 4.7062 4.7062 4.8787 4.8787 5.4843 5.4843 5.4959 5.4959 5.8174 5.8174 5.8297 5.8297 10.6440 10.6440 11.2091 11.2091 11.4112 11.4112 15.9325 15.9325 16.2742 16.2742 17.2582 17.2582 17.3777 17.3777 k = 0.0073-0.0065-0.0149 ( 3485 PWs) bands (ev): -16.1583 -16.1583 -15.6134 -15.6134 -12.6774 -12.6774 -12.6770 -12.6770 -12.4990 -12.4990 -12.4970 -12.4970 -2.7733 -2.7733 -2.3584 -2.3584 -1.3479 -1.3479 -0.7733 -0.7733 -0.7635 -0.7635 -0.6052 -0.6052 -0.6033 -0.6033 1.1571 1.1571 1.2256 1.2256 1.4163 1.4163 1.9164 1.9164 2.0446 2.0446 2.1764 2.1764 2.2743 2.2743 2.2792 2.2792 2.3642 2.3642 3.2475 3.2475 3.3007 3.3007 3.8353 3.8353 3.8619 3.8619 3.9622 3.9622 4.6873 4.6873 4.7048 4.7048 4.8802 4.8802 5.4835 5.4835 5.4951 5.4951 5.8173 5.8173 5.8297 5.8297 10.6472 10.6472 11.2092 11.2092 11.4121 11.4121 15.9352 15.9352 16.2699 16.2699 17.2495 17.2495 17.3689 17.3689 k = 0.0146-0.0130-0.0298 ( 3473 PWs) bands (ev): -16.1572 -16.1572 -15.6134 -15.6134 -12.6778 -12.6778 -12.6773 -12.6773 -12.5002 -12.5002 -12.4977 -12.4977 -2.7700 -2.7700 -2.3571 -2.3571 -1.3450 -1.3450 -0.7721 -0.7721 -0.7621 -0.7621 -0.6081 -0.6081 -0.6009 -0.6009 1.1489 1.1489 1.2194 1.2194 1.4273 1.4273 1.9187 1.9187 2.0467 2.0467 2.1779 2.1779 2.2742 2.2742 2.2793 2.2793 2.3646 2.3646 3.2460 3.2460 3.2993 3.2993 3.8136 3.8136 3.8499 3.8499 3.9897 3.9897 4.6831 4.6831 4.7007 4.7007 4.8844 4.8844 5.4809 5.4809 5.4930 5.4930 5.8160 5.8160 5.8307 5.8307 10.6567 10.6567 11.2095 11.2095 11.4151 11.4151 15.9434 15.9434 16.2571 16.2571 17.2168 17.2168 17.3561 17.3561 k = 0.0219-0.0195-0.0447 ( 3469 PWs) bands (ev): -16.1554 -16.1554 -15.6134 -15.6134 -12.6785 -12.6785 -12.6777 -12.6777 -12.5025 -12.5025 -12.4986 -12.4986 -2.7645 -2.7645 -2.3550 -2.3550 -1.3403 -1.3403 -0.7705 -0.7705 -0.7595 -0.7595 -0.6130 -0.6130 -0.5970 -0.5970 1.1331 1.1331 1.2143 1.2143 1.4424 1.4424 1.9221 1.9221 2.0503 2.0503 2.1800 2.1800 2.2739 2.2739 2.2794 2.2794 2.3652 2.3652 3.2435 3.2435 3.2971 3.2971 3.7845 3.7845 3.8360 3.8360 4.0226 4.0226 4.6762 4.6762 4.6940 4.6940 4.8910 4.8910 5.4759 5.4759 5.4903 5.4903 5.8121 5.8121 5.8343 5.8343 10.6725 10.6725 11.2101 11.2101 11.4200 11.4200 15.9570 15.9570 16.2362 16.2362 17.1567 17.1567 17.3556 17.3556 k = 0.0292-0.0260-0.0596 ( 3467 PWs) bands (ev): -16.1529 -16.1529 -15.6135 -15.6135 -12.6796 -12.6796 -12.6783 -12.6783 -12.5058 -12.5058 -12.4996 -12.4996 -2.7570 -2.7570 -2.3521 -2.3521 -1.3336 -1.3336 -0.7690 -0.7690 -0.7555 -0.7555 -0.6196 -0.6196 -0.5914 -0.5914 1.1099 1.1099 1.2126 1.2126 1.4594 1.4594 1.9265 1.9265 2.0554 2.0554 2.1830 2.1830 2.2734 2.2734 2.2797 2.2797 2.3661 2.3661 3.2400 3.2400 3.2942 3.2942 3.7527 3.7527 3.8182 3.8182 4.0580 4.0580 4.6671 4.6671 4.6850 4.6850 4.8995 4.8995 5.4682 5.4682 5.4874 5.4874 5.8054 5.8054 5.8405 5.8405 10.6944 10.6944 11.2109 11.2109 11.4267 11.4267 15.9758 15.9758 16.2076 16.2076 17.0793 17.0793 17.3664 17.3664 k = 0.0365-0.0325-0.0745 ( 3467 PWs) bands (ev): -16.1497 -16.1497 -15.6136 -15.6136 -12.6810 -12.6810 -12.6791 -12.6791 -12.5102 -12.5102 -12.5009 -12.5009 -2.7473 -2.7473 -2.3484 -2.3484 -1.3251 -1.3251 -0.7677 -0.7677 -0.7499 -0.7499 -0.6276 -0.6276 -0.5843 -0.5843 1.0812 1.0812 1.2142 1.2142 1.4767 1.4767 1.9316 1.9316 2.0619 2.0619 2.1866 2.1866 2.2727 2.2727 2.2800 2.2800 2.3671 2.3671 3.2353 3.2353 3.2906 3.2906 3.7199 3.7199 3.7961 3.7961 4.0948 4.0948 4.6560 4.6560 4.6739 4.6739 4.9092 4.9092 5.4580 5.4580 5.4844 5.4844 5.7964 5.7964 5.8489 5.8489 10.7222 10.7222 11.2120 11.2120 11.4353 11.4353 15.9997 15.9997 16.1719 16.1719 16.9935 16.9935 17.3847 17.3847 k = 0.0438-0.0389-0.0894 ( 3465 PWs) bands (ev): -16.1459 -16.1459 -15.6137 -15.6137 -12.6827 -12.6827 -12.6800 -12.6800 -12.5155 -12.5155 -12.5023 -12.5023 -2.7355 -2.7355 -2.3439 -2.3439 -1.3147 -1.3147 -0.7669 -0.7669 -0.7428 -0.7428 -0.6367 -0.6367 -0.5757 -0.5757 1.0490 1.0490 1.2181 1.2181 1.4932 1.4932 1.9371 1.9371 2.0699 2.0699 2.1910 2.1910 2.2719 2.2719 2.2806 2.2806 2.3684 2.3684 3.2294 3.2294 3.2864 3.2864 3.6867 3.6867 3.7697 3.7697 4.1326 4.1326 4.6431 4.6431 4.6610 4.6610 4.9199 4.9199 5.4455 5.4455 5.4812 5.4812 5.7853 5.7853 5.8593 5.8593 10.7557 10.7557 11.2134 11.2134 11.4457 11.4457 16.0282 16.0282 16.1300 16.1300 16.9039 16.9039 17.4085 17.4085 k = 0.0510-0.0454-0.1043 ( 3469 PWs) bands (ev): -16.1413 -16.1413 -15.6139 -15.6139 -12.6846 -12.6846 -12.6811 -12.6811 -12.5218 -12.5218 -12.5040 -12.5040 -2.7217 -2.7217 -2.3386 -2.3386 -1.3025 -1.3025 -0.7669 -0.7669 -0.7343 -0.7343 -0.6464 -0.6464 -0.5655 -0.5655 1.0146 1.0146 1.2238 1.2238 1.5085 1.5085 1.9426 1.9426 2.0793 2.0793 2.1958 2.1958 2.2709 2.2709 2.2816 2.2816 2.3699 2.3699 3.2220 3.2220 3.2818 3.2818 3.6535 3.6535 3.7391 3.7391 4.1711 4.1711 4.6284 4.6284 4.6467 4.6467 4.9313 4.9313 5.4310 5.4310 5.4778 5.4778 5.7725 5.7725 5.8716 5.8716 10.7947 10.7947 11.2151 11.2151 11.4577 11.4577 16.0575 16.0575 16.0859 16.0859 16.8131 16.8131 17.4366 17.4366 k = 0.0583-0.0519-0.1192 ( 3473 PWs) bands (ev): -16.1361 -16.1361 -15.6141 -15.6141 -12.6867 -12.6867 -12.6823 -12.6823 -12.5289 -12.5289 -12.5060 -12.5060 -2.7060 -2.7060 -2.3325 -2.3325 -1.2884 -1.2884 -0.7682 -0.7682 -0.7247 -0.7247 -0.6561 -0.6561 -0.5539 -0.5539 0.9789 0.9789 1.2309 1.2309 1.5222 1.5222 1.9478 1.9478 2.0897 2.0897 2.2009 2.2009 2.2696 2.2696 2.2830 2.2830 2.3717 2.3717 3.2131 3.2131 3.2770 3.2770 3.6205 3.6205 3.7044 3.7044 4.2100 4.2100 4.6112 4.6112 4.6319 4.6319 4.9433 4.9433 5.4149 5.4149 5.4741 5.4741 5.7581 5.7581 5.8857 5.8857 10.8388 10.8388 11.2173 11.2173 11.4713 11.4713 16.0249 16.0249 16.1028 16.1028 16.7223 16.7223 17.4684 17.4684 k = 0.0656-0.0584-0.1341 ( 3467 PWs) bands (ev): -16.1302 -16.1302 -15.6144 -15.6144 -12.6891 -12.6891 -12.6838 -12.6838 -12.5368 -12.5368 -12.5082 -12.5082 -2.6883 -2.6883 -2.3257 -2.3257 -1.2725 -1.2725 -0.7712 -0.7712 -0.7140 -0.7140 -0.6648 -0.6648 -0.5408 -0.5408 0.9424 0.9424 1.2393 1.2393 1.5343 1.5343 1.9526 1.9526 2.1010 2.1010 2.2063 2.2063 2.2682 2.2682 2.2851 2.2851 2.3736 2.3736 3.2024 3.2024 3.2720 3.2720 3.5880 3.5880 3.6662 3.6662 4.2492 4.2492 4.5912 4.5912 4.6173 4.6173 4.9559 4.9559 5.3974 5.3974 5.4702 5.4702 5.7423 5.7423 5.9016 5.9016 10.8877 10.8877 11.2199 11.2199 11.4863 11.4863 15.9674 15.9674 16.1439 16.1439 16.6325 16.6325 17.5035 17.5035 k = 0.0729-0.0649-0.1490 ( 3455 PWs) bands (ev): -16.1236 -16.1236 -15.6147 -15.6147 -12.6916 -12.6916 -12.6854 -12.6854 -12.5455 -12.5455 -12.5106 -12.5106 -2.6688 -2.6688 -2.3181 -2.3181 -1.2549 -1.2549 -0.7767 -0.7767 -0.7023 -0.7023 -0.6717 -0.6717 -0.5264 -0.5264 0.9056 0.9056 1.2490 1.2490 1.5447 1.5447 1.9567 1.9567 2.1127 2.1127 2.2116 2.2116 2.2666 2.2666 2.2882 2.2882 2.3758 2.3758 3.1897 3.1897 3.2668 3.2668 3.5564 3.5564 3.6247 3.6247 4.2883 4.2883 4.5682 4.5682 4.6033 4.6033 4.9692 4.9692 5.3786 5.3786 5.4659 5.4659 5.7253 5.7253 5.9191 5.9191 10.9410 10.9410 11.2231 11.2231 11.5027 11.5027 15.9050 15.9050 16.1892 16.1892 16.5443 16.5443 17.5416 17.5416 k = 0.0802-0.0714-0.1639 ( 3451 PWs) bands (ev): -16.1165 -16.1165 -15.6151 -15.6151 -12.6942 -12.6942 -12.6872 -12.6872 -12.5550 -12.5550 -12.5132 -12.5132 -2.6476 -2.6476 -2.3098 -2.3098 -1.2355 -1.2355 -0.7851 -0.7851 -0.6901 -0.6901 -0.6761 -0.6761 -0.5106 -0.5106 0.8688 0.8688 1.2596 1.2596 1.5535 1.5535 1.9601 1.9601 2.1244 2.1244 2.2165 2.2165 2.2648 2.2648 2.2923 2.2923 2.3781 2.3781 3.1744 3.1744 3.2614 3.2615 3.5259 3.5259 3.5805 3.5805 4.3268 4.3268 4.5424 4.5424 4.5899 4.5899 4.9834 4.9834 5.3588 5.3588 5.4613 5.4613 5.7073 5.7073 5.9382 5.9382 10.9985 10.9985 11.2268 11.2268 11.5204 11.5204 15.8386 15.8386 16.2370 16.2370 16.4587 16.4587 17.5823 17.5823 k = 0.0875-0.0779-0.1788 ( 3455 PWs) bands (ev): -16.1088 -16.1088 -15.6156 -15.6156 -12.6970 -12.6970 -12.6892 -12.6892 -12.5651 -12.5651 -12.5160 -12.5160 -2.6247 -2.6247 -2.3008 -2.3008 -1.2145 -1.2145 -0.7964 -0.7964 -0.6805 -0.6805 -0.6745 -0.6745 -0.4937 -0.4937 0.8322 0.8322 1.2711 1.2711 1.5607 1.5607 1.9626 1.9626 2.1356 2.1356 2.2209 2.2209 2.2626 2.2626 2.2977 2.2977 2.3803 2.3803 3.1564 3.1564 3.2560 3.2560 3.4965 3.4965 3.5346 3.5346 4.3642 4.3642 4.5141 4.5141 4.5772 4.5772 4.9989 4.9989 5.3381 5.3381 5.4564 5.4564 5.6884 5.6884 5.9588 5.9588 11.0597 11.0597 11.2312 11.2312 11.5391 11.5391 15.7689 15.7689 16.2825 16.2825 16.3803 16.3803 17.6253 17.6253 k = 0.0948-0.0844-0.1937 ( 3453 PWs) bands (ev): -16.1005 -16.1005 -15.6163 -15.6163 -12.6998 -12.6998 -12.6914 -12.6914 -12.5758 -12.5758 -12.5190 -12.5190 -2.6002 -2.6002 -2.2911 -2.2911 -1.1919 -1.1919 -0.8101 -0.8101 -0.6791 -0.6791 -0.6620 -0.6620 -0.4756 -0.4756 0.7961 0.7961 1.2835 1.2835 1.5664 1.5664 1.9642 1.9642 2.1459 2.1459 2.2245 2.2245 2.2603 2.2603 2.3045 2.3045 2.3827 2.3827 3.1350 3.1350 3.2504 3.2504 3.4659 3.4659 3.4904 3.4904 4.3996 4.3996 4.4838 4.4838 4.5654 4.5654 5.0161 5.0161 5.3167 5.3167 5.4509 5.4509 5.6689 5.6689 5.9808 5.9808 11.1242 11.1242 11.2362 11.2362 11.5588 11.5588 15.6962 15.6962 16.2721 16.2721 16.3626 16.3626 17.6703 17.6703 k = 0.1021-0.0909-0.2086 ( 3457 PWs) bands (ev): -16.0917 -16.0917 -15.6170 -15.6170 -12.7027 -12.7027 -12.6938 -12.6938 -12.5871 -12.5871 -12.5222 -12.5222 -2.5742 -2.5742 -2.2807 -2.2807 -1.1678 -1.1678 -0.8254 -0.8254 -0.6769 -0.6769 -0.6478 -0.6478 -0.4566 -0.4566 0.7607 0.7607 1.2967 1.2967 1.5707 1.5707 1.9648 1.9648 2.1550 2.1550 2.2274 2.2274 2.2576 2.2576 2.3126 2.3126 2.3849 2.3849 3.1101 3.1101 3.2444 3.2444 3.4257 3.4257 3.4578 3.4578 4.4298 4.4298 4.4538 4.4538 4.5548 4.5548 5.0355 5.0355 5.2946 5.2946 5.4449 5.4449 5.6490 5.6490 6.0042 6.0042 11.1918 11.1918 11.2420 11.2420 11.5793 11.5793 15.6210 15.6210 16.1992 16.1992 16.4116 16.4116 17.6807 17.6807 k = 0.1094-0.0974-0.2235 ( 3455 PWs) bands (ev): -16.0824 -16.0824 -15.6179 -15.6179 -12.7055 -12.7055 -12.6964 -12.6964 -12.5989 -12.5989 -12.5256 -12.5256 -2.5468 -2.5468 -2.2697 -2.2697 -1.1425 -1.1425 -0.8416 -0.8416 -0.6736 -0.6736 -0.6332 -0.6332 -0.4367 -0.4367 0.7262 0.7262 1.3106 1.3106 1.5737 1.5737 1.9643 1.9643 2.1627 2.1627 2.2296 2.2296 2.2547 2.2547 2.3218 2.3218 2.3870 2.3870 3.0813 3.0813 3.2374 3.2374 3.3783 3.3783 3.4360 3.4360 4.4133 4.4133 4.4644 4.4644 4.5464 4.5464 5.0577 5.0577 5.2722 5.2722 5.4384 5.4384 5.6286 5.6286 6.0287 6.0287 11.2482 11.2482 11.2624 11.2624 11.6005 11.6005 15.5436 15.5436 16.1223 16.1223 16.4684 16.4684 17.6181 17.6181 k = 0.1167-0.1039-0.2384 ( 3459 PWs) bands (ev): -16.0726 -16.0726 -15.6189 -15.6189 -12.7083 -12.7083 -12.6992 -12.6992 -12.6110 -12.6110 -12.5292 -12.5292 -2.5182 -2.5182 -2.2581 -2.2581 -1.1162 -1.1162 -0.8578 -0.8578 -0.6693 -0.6693 -0.6184 -0.6184 -0.4161 -0.4161 0.6928 0.6928 1.3251 1.3251 1.5756 1.5756 1.9627 1.9627 2.1687 2.1687 2.2313 2.2313 2.2515 2.2515 2.3317 2.3317 2.3888 2.3888 3.0486 3.0486 3.2271 3.2271 3.3321 3.3321 3.4192 3.4192 4.3776 4.3776 4.4853 4.4853 4.5428 4.5428 5.0833 5.0833 5.2493 5.2493 5.4312 5.4312 5.6080 5.6080 6.0543 6.0543 11.2559 11.2559 11.3347 11.3347 11.6222 11.6222 15.4642 15.4642 16.0468 16.0468 16.5273 16.5273 17.5524 17.5524 k = 0.1240-0.1103-0.2533 ( 3457 PWs) bands (ev): -16.0623 -16.0623 -15.6201 -15.6201 -12.7110 -12.7110 -12.7022 -12.7022 -12.6236 -12.6236 -12.5329 -12.5329 -2.4884 -2.4884 -2.2458 -2.2458 -1.0895 -1.0895 -0.8732 -0.8732 -0.6645 -0.6645 -0.6034 -0.6034 -0.3949 -0.3949 0.6605 0.6605 1.3400 1.3400 1.5763 1.5763 1.9598 1.9598 2.1731 2.1731 2.2325 2.2325 2.2481 2.2481 2.3420 2.3420 2.3904 2.3904 3.0124 3.0124 3.2083 3.2083 3.2945 3.2945 3.4062 3.4062 4.3399 4.3399 4.4946 4.4946 4.5488 4.5488 5.1125 5.1125 5.2262 5.2262 5.4233 5.4233 5.5873 5.5873 6.0807 6.0807 11.2643 11.2643 11.4092 11.4092 11.6443 11.6443 15.3834 15.3834 15.9734 15.9734 16.5869 16.5869 17.4841 17.4841 k = 0.1313-0.1168-0.2682 ( 3453 PWs) bands (ev): -16.0517 -16.0517 -15.6215 -15.6215 -12.7136 -12.7136 -12.7055 -12.7055 -12.6363 -12.6363 -12.5367 -12.5367 -2.4576 -2.4576 -2.2331 -2.2331 -1.0634 -1.0634 -0.8864 -0.8864 -0.6592 -0.6592 -0.5886 -0.5886 -0.3734 -0.3734 0.6296 0.6296 1.3553 1.3553 1.5761 1.5761 1.9557 1.9557 2.1759 2.1759 2.2333 2.2333 2.2447 2.2447 2.3522 2.3522 2.3918 2.3918 2.9729 2.9729 3.1748 3.1748 3.2726 3.2726 3.3964 3.3964 4.3008 4.3008 4.4932 4.4932 4.5624 4.5624 5.1457 5.1457 5.2029 5.2029 5.4146 5.4146 5.5666 5.5666 6.1079 6.1079 11.2736 11.2736 11.4854 11.4854 11.6667 11.6667 15.3012 15.3012 15.9025 15.9025 16.6463 16.6463 17.4137 17.4137 k = 0.1385-0.1233-0.2831 ( 3453 PWs) bands (ev): -16.0406 -16.0406 -15.6230 -15.6230 -12.7160 -12.7160 -12.7090 -12.7090 -12.6493 -12.6493 -12.5406 -12.5406 -2.4259 -2.4259 -2.2198 -2.2198 -1.0401 -1.0401 -0.8950 -0.8950 -0.6538 -0.6538 -0.5739 -0.5739 -0.3517 -0.3517 0.6001 0.6001 1.3706 1.3706 1.5749 1.5749 1.9502 1.9502 2.1773 2.1773 2.2330 2.2330 2.2418 2.2418 2.3618 2.3618 2.3930 2.3930 2.9305 2.9305 3.1302 3.1302 3.2634 3.2634 3.3892 3.3892 4.2609 4.2609 4.4876 4.4876 4.5773 4.5773 5.1786 5.1786 5.1838 5.1838 5.4051 5.4051 5.5458 5.5458 6.1356 6.1356 11.2839 11.2839 11.5628 11.5628 11.6892 11.6892 15.2179 15.2179 15.8342 15.8342 16.7050 16.7050 17.3416 17.3416 k = 0.1458-0.1298-0.2980 ( 3455 PWs) bands (ev): -16.0292 -16.0292 -15.6248 -15.6248 -12.7183 -12.7183 -12.7127 -12.7127 -12.6624 -12.6624 -12.5447 -12.5447 -2.3935 -2.3935 -2.2060 -2.2060 -1.0231 -1.0231 -0.8953 -0.8953 -0.6484 -0.6484 -0.5597 -0.5597 -0.3300 -0.3300 0.5722 0.5722 1.3858 1.3858 1.5729 1.5729 1.9432 1.9432 2.1773 2.1773 2.2310 2.2310 2.2401 2.2401 2.3704 2.3704 2.3942 2.3942 2.8857 2.8857 3.0816 3.0816 3.2607 3.2607 3.3843 3.3843 4.2204 4.2204 4.4809 4.4809 4.5904 4.5904 5.1559 5.1559 5.2239 5.2239 5.3947 5.3947 5.5250 5.5250 6.1635 6.1635 11.2954 11.2954 11.6412 11.6412 11.7117 11.7117 15.1339 15.1339 15.7685 15.7685 16.7620 16.7620 17.2681 17.2681 k = 0.1531-0.1363-0.3129 ( 3453 PWs) bands (ev): -16.0175 -16.0175 -15.6267 -15.6267 -12.7204 -12.7204 -12.7166 -12.7166 -12.6755 -12.6755 -12.5488 -12.5488 -2.3604 -2.3604 -2.1917 -2.1917 -1.0161 -1.0161 -0.8835 -0.8835 -0.6430 -0.6430 -0.5461 -0.5461 -0.3085 -0.3085 0.5461 0.5461 1.4006 1.4006 1.5702 1.5702 1.9348 1.9348 2.1762 2.1762 2.2272 2.2272 2.2396 2.2396 2.3770 2.3770 2.3963 2.3963 2.8391 2.8391 3.0323 3.0323 3.2617 3.2617 3.3812 3.3812 4.1796 4.1796 4.4742 4.4742 4.6010 4.6010 5.1325 5.1325 5.2683 5.2683 5.3835 5.3835 5.5042 5.5042 6.1916 6.1916 11.3080 11.3080 11.7191 11.7191 11.7351 11.7351 15.0494 15.0494 15.7056 15.7056 16.8169 16.8169 17.1936 17.1936 k = 0.1604-0.1428-0.3278 ( 3457 PWs) bands (ev): -16.0056 -16.0056 -15.6289 -15.6289 -12.7223 -12.7223 -12.7207 -12.7207 -12.6884 -12.6884 -12.5531 -12.5531 -2.3268 -2.3268 -2.1770 -2.1770 -1.0184 -1.0184 -0.8601 -0.8601 -0.6378 -0.6378 -0.5332 -0.5332 -0.2875 -0.2875 0.5217 0.5217 1.4147 1.4147 1.5667 1.5667 1.9252 1.9252 2.1741 2.1741 2.2225 2.2225 2.2395 2.2395 2.3807 2.3807 2.3999 2.3999 2.7909 2.7909 2.9838 2.9838 3.2655 3.2655 3.3795 3.3795 4.1390 4.1390 4.4677 4.4677 4.6094 4.6094 5.1090 5.1090 5.3155 5.3155 5.3715 5.3715 5.4834 5.4834 6.2195 6.2195 11.3217 11.3217 11.7549 11.7549 11.8009 11.8009 14.9645 14.9645 15.6455 15.6455 16.8689 16.8689 17.1185 17.1185 k = 0.1677-0.1493-0.3427 ( 3457 PWs) bands (ev): -15.9934 -15.9934 -15.6313 -15.6313 -12.7253 -12.7253 -12.7241 -12.7241 -12.7010 -12.7010 -12.5574 -12.5574 -2.2930 -2.2930 -2.1618 -2.1618 -1.0263 -1.0263 -0.8289 -0.8289 -0.6328 -0.6328 -0.5213 -0.5213 -0.2672 -0.2672 0.4993 0.4993 1.4277 1.4277 1.5626 1.5626 1.9146 1.9146 2.1710 2.1710 2.2174 2.2174 2.2392 2.2392 2.3816 2.3816 2.4050 2.4050 2.7417 2.7417 2.9368 2.9368 3.2719 3.2719 3.3788 3.3788 4.0989 4.0989 4.4615 4.4615 4.6158 4.6158 5.0857 5.0857 5.3558 5.3558 5.3681 5.3681 5.4627 5.4627 6.2470 6.2470 11.3368 11.3368 11.7766 11.7766 11.8804 11.8804 14.8795 14.8795 15.5883 15.5883 16.9169 16.9169 17.0437 17.0437 k = 0.1750-0.1558-0.3576 ( 3455 PWs) bands (ev): -15.9810 -15.9810 -15.6340 -15.6340 -12.7299 -12.7299 -12.7268 -12.7268 -12.7123 -12.7123 -12.5617 -12.5617 -2.2590 -2.2590 -2.1461 -2.1461 -1.0365 -1.0365 -0.7929 -0.7929 -0.6283 -0.6283 -0.5105 -0.5105 -0.2478 -0.2478 0.4788 0.4788 1.4395 1.4395 1.5579 1.5579 1.9035 1.9035 2.1670 2.1670 2.2120 2.2120 2.2387 2.2387 2.3807 2.3807 2.4103 2.4103 2.6919 2.6919 2.8919 2.8919 3.2807 3.2807 3.3788 3.3788 4.0597 4.0597 4.4555 4.4555 4.6209 4.6209 5.0624 5.0624 5.3437 5.3437 5.4178 5.4178 5.4421 5.4421 6.2739 6.2739 11.3531 11.3531 11.7975 11.7975 11.9600 11.9600 14.7948 14.7948 15.5340 15.5340 16.9473 16.9473 16.9825 16.9825 k = 0.1823-0.1623-0.3725 ( 3461 PWs) bands (ev): -15.9685 -15.9685 -15.6369 -15.6369 -12.7348 -12.7348 -12.7328 -12.7328 -12.7196 -12.7196 -12.5661 -12.5661 -2.2251 -2.2251 -2.1300 -2.1300 -1.0475 -1.0475 -0.7539 -0.7539 -0.6241 -0.6241 -0.5010 -0.5010 -0.2297 -0.2297 0.4603 0.4603 1.4494 1.4494 1.5527 1.5527 1.8922 1.8922 2.1620 2.1620 2.2066 2.2066 2.2378 2.2378 2.3786 2.3786 2.4152 2.4152 2.6420 2.6420 2.8491 2.8491 3.2921 3.2921 3.3794 3.3794 4.0216 4.0216 4.4495 4.4495 4.6251 4.6251 5.0392 5.0392 5.3290 5.3290 5.4209 5.4209 5.4714 5.4714 6.3000 6.3000 11.3707 11.3707 11.8177 11.8177 12.0392 12.0392 14.7104 14.7104 15.4828 15.4828 16.8855 16.8855 17.0095 17.0095 k = 0.1896-0.1688-0.3874 ( 3457 PWs) bands (ev): -15.9559 -15.9559 -15.6400 -15.6400 -12.7431 -12.7431 -12.7398 -12.7398 -12.7220 -12.7220 -12.5705 -12.5705 -2.1916 -2.1916 -2.1132 -2.1132 -1.0583 -1.0583 -0.7127 -0.7127 -0.6203 -0.6203 -0.4932 -0.4932 -0.2130 -0.2130 0.4439 0.4439 1.4574 1.4574 1.5471 1.5471 1.8814 1.8814 2.1557 2.1557 2.2013 2.2013 2.2366 2.2366 2.3756 2.3756 2.4194 2.4194 2.5925 2.5925 2.8087 2.8087 3.3061 3.3061 3.3801 3.3801 3.9851 3.9851 4.4433 4.4433 4.6292 4.6292 5.0162 5.0162 5.3133 5.3133 5.4001 5.4001 5.5256 5.5256 6.3251 6.3251 11.3896 11.3896 11.8370 11.8370 12.1178 12.1178 14.6266 14.6266 15.4347 15.4347 16.8099 16.8099 17.0464 17.0464 k = 0.1969-0.1753-0.4023 ( 3455 PWs) bands (ev): -15.9433 -15.9433 -15.6434 -15.6434 -12.7545 -12.7545 -12.7451 -12.7451 -12.7225 -12.7225 -12.5749 -12.5749 -2.1589 -2.1589 -2.0958 -2.0958 -1.0685 -1.0685 -0.6704 -0.6704 -0.6164 -0.6164 -0.4871 -0.4871 -0.1981 -0.1981 0.4296 0.4296 1.4631 1.4631 1.5412 1.5412 1.8715 1.8715 2.1480 2.1480 2.1962 2.1962 2.2351 2.2351 2.3715 2.3715 2.4224 2.4224 2.5444 2.5444 2.7708 2.7708 3.3228 3.3228 3.3810 3.3810 3.9504 3.9504 4.4365 4.4365 4.6336 4.6336 4.9932 4.9932 5.2968 5.2968 5.3793 5.3793 5.5804 5.5804 6.3488 6.3488 11.4099 11.4099 11.8554 11.8554 12.1955 12.1955 14.5436 14.5436 15.3897 15.3897 16.7337 16.7337 17.0803 17.0803 k = 0.2042-0.1817-0.4172 ( 3456 PWs) bands (ev): -15.9306 -15.9306 -15.6471 -15.6471 -12.7659 -12.7659 -12.7506 -12.7506 -12.7221 -12.7221 -12.5793 -12.5793 -2.1275 -2.1275 -2.0772 -2.0772 -1.0777 -1.0777 -0.6313 -0.6313 -0.6083 -0.6083 -0.4830 -0.4830 -0.1851 -0.1851 0.4172 0.4172 1.4666 1.4666 1.5350 1.5350 1.8631 1.8631 2.1387 2.1387 2.1914 2.1914 2.2333 2.2333 2.3656 2.3656 2.4240 2.4240 2.4991 2.4991 2.7354 2.7354 3.3418 3.3418 3.3819 3.3819 3.9179 3.9179 4.4289 4.4289 4.6389 4.6389 4.9703 4.9703 5.2796 5.2796 5.3583 5.3583 5.6353 5.6353 6.3710 6.3710 11.4316 11.4316 11.8728 11.8728 12.2721 12.2721 14.4617 14.4617 15.3480 15.3480 16.6574 16.6574 17.1109 17.1109 k = 0.2115-0.1882-0.4321 ( 3454 PWs) bands (ev): -15.9180 -15.9180 -15.6510 -15.6510 -12.7769 -12.7769 -12.7564 -12.7564 -12.7211 -12.7211 -12.5837 -12.5837 -2.0984 -2.0984 -2.0567 -2.0567 -1.0857 -1.0857 -0.6178 -0.6178 -0.5741 -0.5741 -0.4812 -0.4812 -0.1741 -0.1741 0.4069 0.4069 1.4680 1.4680 1.5287 1.5287 1.8562 1.8562 2.1275 2.1275 2.1866 2.1866 2.2312 2.2312 2.3562 2.3562 2.4224 2.4224 2.4607 2.4607 2.7025 2.7025 3.3624 3.3624 3.3839 3.3839 3.8879 3.8879 4.4201 4.4201 4.6454 4.6454 4.9475 4.9475 5.2617 5.2617 5.3373 5.3373 5.6900 5.6900 6.3916 6.3916 11.4546 11.4546 11.8891 11.8891 12.3474 12.3474 14.3810 14.3810 15.3096 15.3096 16.5813 16.5813 17.1384 17.1384 k = 0.2188-0.1947-0.4470 ( 3452 PWs) bands (ev): -15.9054 -15.9054 -15.6552 -15.6552 -12.7875 -12.7875 -12.7623 -12.7623 -12.7196 -12.7196 -12.5881 -12.5881 -2.0728 -2.0728 -2.0335 -2.0335 -1.0925 -1.0925 -0.6152 -0.6152 -0.5286 -0.5286 -0.4817 -0.4817 -0.1655 -0.1655 0.3985 0.3985 1.4677 1.4677 1.5223 1.5223 1.8509 1.8509 2.1139 2.1139 2.1818 2.1818 2.2289 2.2289 2.3400 2.3400 2.4117 2.4117 2.4393 2.4393 2.6724 2.6724 3.3763 3.3763 3.3948 3.3948 3.8607 3.8607 4.4100 4.4100 4.6533 4.6533 4.9247 4.9247 5.2432 5.2432 5.3163 5.3163 5.7441 5.7441 6.4102 6.4102 11.4790 11.4790 11.9042 11.9042 12.4210 12.4210 14.3019 14.3019 15.2746 15.2746 16.5055 16.5055 17.1632 17.1632 k = 0.2261-0.2012-0.4619 ( 3454 PWs) bands (ev): -15.8930 -15.8930 -15.6596 -15.6596 -12.7975 -12.7975 -12.7684 -12.7684 -12.7176 -12.7176 -12.5925 -12.5925 -2.0506 -2.0506 -2.0077 -2.0077 -1.0979 -1.0979 -0.6142 -0.6142 -0.4866 -0.4866 -0.4794 -0.4794 -0.1591 -0.1591 0.3919 0.3919 1.4665 1.4665 1.5159 1.5159 1.8468 1.8468 2.0976 2.0976 2.1767 2.1767 2.2264 2.2264 2.3148 2.3148 2.3961 2.3961 2.4337 2.4337 2.6451 2.6451 3.3786 3.3786 3.4194 3.4194 3.8367 3.8367 4.3983 4.3983 4.6627 4.6627 4.9019 4.9019 5.2244 5.2244 5.2952 5.2952 5.7973 5.7973 6.4267 6.4267 11.5046 11.5046 11.9181 11.9181 12.4927 12.4927 14.2244 14.2244 15.2432 15.2432 16.4301 16.4301 17.1855 17.1855 k = 0.2333-0.2077-0.4768 ( 3456 PWs) bands (ev): -15.8807 -15.8807 -15.6642 -15.6642 -12.8069 -12.8069 -12.7747 -12.7747 -12.7151 -12.7151 -12.5968 -12.5968 -2.0309 -2.0309 -1.9805 -1.9805 -1.1018 -1.1018 -0.6139 -0.6139 -0.4914 -0.4914 -0.4322 -0.4322 -0.1550 -0.1550 0.3870 0.3870 1.4649 1.4649 1.5096 1.5096 1.8436 1.8436 2.0779 2.0779 2.1711 2.1711 2.2235 2.2235 2.2852 2.2852 2.3855 2.3855 2.4310 2.4310 2.6207 2.6207 3.3786 3.3786 3.4480 3.4480 3.8163 3.8163 4.3851 4.3851 4.6735 4.6735 4.8789 4.8789 5.2054 5.2054 5.2741 5.2741 5.8495 5.8495 6.4409 6.4409 11.5314 11.5314 11.9307 11.9307 12.5624 12.5624 14.1490 14.1490 15.2153 15.2153 16.3551 16.3551 17.2060 17.2060 k = 0.2406-0.2142-0.4917 ( 3454 PWs) bands (ev): -15.8686 -15.8686 -15.6691 -15.6691 -12.8156 -12.8156 -12.7811 -12.7811 -12.7120 -12.7120 -12.6011 -12.6011 -2.0127 -2.0127 -1.9534 -1.9534 -1.1043 -1.1043 -0.6142 -0.6142 -0.5004 -0.5004 -0.3831 -0.3831 -0.1531 -0.1531 0.3836 0.3836 1.4638 1.4638 1.5035 1.5035 1.8406 1.8406 2.0543 2.0543 2.1643 2.1643 2.2195 2.2195 2.2580 2.2580 2.3780 2.3780 2.4286 2.4286 2.5994 2.5994 3.3780 3.3780 3.4785 3.4785 3.8000 3.8000 4.3703 4.3703 4.6854 4.6854 4.8559 4.8559 5.1864 5.1864 5.2530 5.2530 5.9003 5.9003 6.4526 6.4526 11.5594 11.5594 11.9420 11.9420 12.6299 12.6299 14.0757 14.0757 15.1910 15.1910 16.2808 16.2808 17.2249 17.2249 k = 0.2479-0.2207-0.5066 ( 3452 PWs) bands (ev): -15.8568 -15.8568 -15.6742 -15.6742 -12.8236 -12.8236 -12.7877 -12.7877 -12.7085 -12.7085 -12.6053 -12.6053 -1.9953 -1.9953 -1.9271 -1.9271 -1.1052 -1.1052 -0.6150 -0.6150 -0.5124 -0.5124 -0.3336 -0.3336 -0.1533 -0.1533 0.3817 0.3817 1.4635 1.4635 1.4978 1.4978 1.8373 1.8373 2.0264 2.0264 2.1557 2.1557 2.2122 2.2122 2.2392 2.2392 2.3716 2.3716 2.4259 2.4259 2.5812 2.5812 3.3772 3.3772 3.5098 3.5098 3.7887 3.7887 4.3539 4.3539 4.6979 4.6979 4.8327 4.8327 5.1679 5.1679 5.2320 5.2320 5.9495 5.9495 6.4618 6.4618 11.5883 11.5883 11.9520 11.9520 12.6948 12.6948 14.0049 14.0049 15.1705 15.1705 16.2070 16.2070 17.2426 17.2426 k = 0.2552-0.2272-0.5215 ( 3460 PWs) bands (ev): -15.8452 -15.8452 -15.6796 -15.6796 -12.8309 -12.8309 -12.7945 -12.7945 -12.7046 -12.7046 -12.6095 -12.6095 -1.9785 -1.9785 -1.9023 -1.9023 -1.1046 -1.1046 -0.6160 -0.6160 -0.5275 -0.5275 -0.2839 -0.2839 -0.1552 -0.1552 0.3809 0.3809 1.4638 1.4638 1.4931 1.4931 1.8332 1.8332 1.9948 1.9948 2.1450 2.1450 2.2008 2.2008 2.2310 2.2310 2.3655 2.3655 2.4232 2.4232 2.5659 2.5659 3.3763 3.3763 3.5405 3.5405 3.7834 3.7834 4.3360 4.3360 4.7104 4.7104 4.8092 4.8092 5.1502 5.1502 5.2110 5.2110 5.9970 5.9970 6.4682 6.4682 11.6181 11.6181 11.9606 11.9606 12.7571 12.7571 13.9368 13.9368 15.1538 15.1538 16.1340 16.1340 17.2595 17.2595 k = 0.2625-0.2337-0.5364 ( 3456 PWs) bands (ev): -15.8339 -15.8339 -15.6851 -15.6851 -12.8374 -12.8374 -12.8013 -12.8013 -12.7002 -12.7002 -12.6137 -12.6137 -1.9622 -1.9622 -1.8794 -1.8794 -1.1025 -1.1025 -0.6173 -0.6173 -0.5456 -0.5456 -0.2342 -0.2342 -0.1586 -0.1586 0.3812 0.3812 1.4640 1.4640 1.4904 1.4904 1.8282 1.8282 1.9605 1.9605 2.1326 2.1326 2.1899 2.1899 2.2282 2.2282 2.3591 2.3591 2.4208 2.4208 2.5536 2.5536 3.3755 3.3755 3.5688 3.5688 3.7858 3.7858 4.3168 4.3168 4.7220 4.7220 4.7855 4.7855 5.1341 5.1341 5.1902 5.1902 6.0427 6.0427 6.4718 6.4718 11.6486 11.6486 11.9679 11.9679 12.8165 12.8165 13.8716 13.8716 15.1409 15.1409 16.0618 16.0618 17.2757 17.2757 k = 0.2698-0.2402-0.5513 ( 3456 PWs) bands (ev): -15.8230 -15.8230 -15.6908 -15.6908 -12.8431 -12.8431 -12.8082 -12.8082 -12.6953 -12.6953 -12.6177 -12.6177 -1.9462 -1.9462 -1.8587 -1.8587 -1.0988 -1.0988 -0.6186 -0.6186 -0.5663 -0.5663 -0.1849 -0.1849 -0.1631 -0.1631 0.3823 0.3823 1.4622 1.4622 1.4912 1.4912 1.8219 1.8219 1.9253 1.9253 2.1196 2.1196 2.1811 2.1811 2.2275 2.2275 2.3523 2.3523 2.4189 2.4189 2.5438 2.5438 3.3750 3.3750 3.5927 3.5927 3.7977 3.7977 4.2961 4.2961 4.7315 4.7315 4.7619 4.7619 5.1203 5.1203 5.1696 5.1696 6.0864 6.0864 6.4724 6.4724 11.6794 11.6794 11.9739 11.9739 12.8729 12.8729 13.8097 13.8097 15.1319 15.1319 15.9905 15.9905 17.2914 17.2914 k = 0.2771-0.2466-0.5662 ( 3454 PWs) bands (ev): -15.8124 -15.8124 -15.6966 -15.6966 -12.8479 -12.8479 -12.8151 -12.8151 -12.6901 -12.6901 -12.6217 -12.6217 -1.9306 -1.9306 -1.8406 -1.8406 -1.0936 -1.0936 -0.6199 -0.6199 -0.5894 -0.5894 -0.1688 -0.1688 -0.1358 -0.1358 0.3839 0.3839 1.4579 1.4579 1.4957 1.4957 1.8141 1.8141 1.8908 1.8908 2.1067 2.1067 2.1739 2.1739 2.2278 2.2278 2.3453 2.3453 2.4177 2.4177 2.5362 2.5362 3.3749 3.3749 3.6111 3.6111 3.8198 3.8198 4.2742 4.2742 4.7318 4.7318 4.7441 4.7441 5.1097 5.1097 5.1492 5.1492 6.1280 6.1280 6.4701 6.4701 11.7104 11.7104 11.9786 11.9786 12.9261 12.9261 13.7514 13.7514 15.1265 15.1265 15.9203 15.9203 17.3067 17.3067 k = 0.2844-0.2531-0.5811 ( 3444 PWs) bands (ev): -15.8022 -15.8022 -15.7026 -15.7026 -12.8520 -12.8520 -12.8221 -12.8221 -12.6845 -12.6845 -12.6257 -12.6257 -1.9154 -1.9154 -1.8254 -1.8254 -1.0869 -1.0869 -0.6211 -0.6211 -0.6144 -0.6144 -0.1747 -0.1747 -0.0879 -0.0879 0.3860 0.3860 1.4517 1.4517 1.5027 1.5027 1.8041 1.8041 1.8598 1.8598 2.0946 2.0946 2.1676 2.1676 2.2290 2.2290 2.3384 2.3384 2.4173 2.4173 2.5305 2.5305 3.3754 3.3754 3.6244 3.6244 3.8515 3.8515 4.2511 4.2511 4.7096 4.7096 4.7443 4.7443 5.1032 5.1032 5.1292 5.1292 6.1675 6.1675 6.4647 6.4647 11.7411 11.7411 11.9822 11.9822 12.9761 12.9761 13.6968 13.6968 15.1249 15.1249 15.8513 15.8513 17.3215 17.3215 k = 0.2917-0.2596-0.5960 ( 3438 PWs) bands (ev): -15.7925 -15.7925 -15.7087 -15.7087 -12.8552 -12.8552 -12.8292 -12.8292 -12.6785 -12.6785 -12.6295 -12.6295 -1.9007 -1.9007 -1.8134 -1.8134 -1.0788 -1.0788 -0.6410 -0.6410 -0.6220 -0.6220 -0.1808 -0.1808 -0.0411 -0.0411 0.3884 0.3884 1.4438 1.4438 1.5103 1.5103 1.7899 1.7899 1.8361 1.8361 2.0832 2.0832 2.1618 2.1618 2.2306 2.2306 2.3317 2.3317 2.4174 2.4174 2.5263 2.5263 3.3767 3.3767 3.6342 3.6342 3.8906 3.8906 4.2268 4.2268 4.6842 4.6842 4.7423 4.7423 5.1013 5.1013 5.1099 5.1099 6.2047 6.2047 6.4563 6.4563 11.7712 11.7712 11.9848 11.9848 13.0228 13.0228 13.6463 13.6463 15.1266 15.1266 15.7839 15.7839 17.3357 17.3357 k = 0.2990-0.2661-0.6109 ( 3446 PWs) bands (ev): -15.7831 -15.7831 -15.7149 -15.7149 -12.8576 -12.8576 -12.8362 -12.8362 -12.6722 -12.6722 -12.6333 -12.6333 -1.8864 -1.8864 -1.8049 -1.8049 -1.0693 -1.0693 -0.6684 -0.6684 -0.6227 -0.6227 -0.1870 -0.1870 0.0041 0.0041 0.3907 0.3907 1.4342 1.4342 1.5170 1.5170 1.7707 1.7707 1.8227 1.8227 2.0727 2.0727 2.1563 2.1563 2.2325 2.2325 2.3255 2.3255 2.4179 2.4179 2.5236 2.5236 3.3789 3.3789 3.6422 3.6422 3.9351 3.9351 4.2013 4.2013 4.6578 4.6578 4.7353 4.7353 5.0897 5.0897 5.1060 5.1060 6.2398 6.2398 6.4449 6.4449 11.8002 11.8002 11.9865 11.9865 13.0661 13.0661 13.6001 13.6001 15.1313 15.1313 15.7184 15.7184 17.3490 17.3490 k = 0.3063-0.2726-0.6258 ( 3452 PWs) bands (ev): -15.7742 -15.7742 -15.7212 -15.7212 -12.8591 -12.8591 -12.8432 -12.8432 -12.6657 -12.6657 -12.6370 -12.6370 -1.8727 -1.8727 -1.8002 -1.8002 -1.0585 -1.0585 -0.6963 -0.6963 -0.6229 -0.6229 -0.1929 -0.1929 0.0474 0.0474 0.3930 0.3930 1.4228 1.4228 1.5215 1.5215 1.7505 1.7505 1.8177 1.8177 2.0631 2.0631 2.1511 2.1511 2.2344 2.2344 2.3200 2.3200 2.4187 2.4187 2.5223 2.5223 3.3821 3.3821 3.6499 3.6499 3.9833 3.9833 4.1748 4.1748 4.6307 4.6307 4.7229 4.7229 5.0711 5.0711 5.1147 5.1147 6.2726 6.2726 6.4304 6.4304 11.8275 11.8275 11.9878 11.9878 13.1060 13.1060 13.5586 13.5586 15.1383 15.1383 15.6555 15.6555 17.3612 17.3612 k = 0.3136-0.2791-0.6407 ( 3454 PWs) bands (ev): -15.7657 -15.7657 -15.7276 -15.7276 -12.8599 -12.8599 -12.8502 -12.8502 -12.6588 -12.6588 -12.6406 -12.6406 -1.8594 -1.8594 -1.7994 -1.7994 -1.0463 -1.0463 -0.7239 -0.7239 -0.6226 -0.6226 -0.1984 -0.1984 0.0882 0.0882 0.3952 0.3952 1.4092 1.4092 1.5227 1.5227 1.7335 1.7335 1.8190 1.8190 2.0544 2.0544 2.1462 2.1462 2.2364 2.2364 2.3155 2.3155 2.4196 2.4196 2.5224 2.5224 3.3864 3.3864 3.6577 3.6577 4.0340 4.0340 4.1473 4.1473 4.6028 4.6028 4.7058 4.7058 5.0528 5.0528 5.1280 5.1280 6.3032 6.3032 6.4130 6.4130 11.8522 11.8522 11.9891 11.9891 13.1427 13.1427 13.5220 13.5220 15.1466 15.1466 15.5963 15.5963 17.3718 17.3718 k = 0.3208-0.2856-0.6556 ( 3448 PWs) bands (ev): -15.7577 -15.7577 -15.7339 -15.7339 -12.8599 -12.8599 -12.8571 -12.8571 -12.6518 -12.6518 -12.6441 -12.6441 -1.8468 -1.8468 -1.8027 -1.8027 -1.0329 -1.0329 -0.7510 -0.7510 -0.6218 -0.6218 -0.2032 -0.2032 0.1261 0.1261 0.3972 0.3972 1.3931 1.3931 1.5199 1.5199 1.7217 1.7217 1.8255 1.8255 2.0466 2.0466 2.1420 2.1420 2.2382 2.2382 2.3119 2.3119 2.4204 2.4204 2.5241 2.5241 3.3920 3.3920 3.6663 3.6663 4.0859 4.0859 4.1190 4.1190 4.5744 4.5744 4.6847 4.6847 5.0351 5.0351 5.1451 5.1451 6.3315 6.3315 6.3928 6.3928 11.8734 11.8734 11.9911 11.9911 13.1761 13.1761 13.4905 13.4905 15.1543 15.1543 15.5424 15.5424 17.3803 17.3803 k = 0.3281-0.2921-0.6705 ( 3444 PWs) bands (ev): -15.7502 -15.7502 -15.7403 -15.7403 -12.8640 -12.8640 -12.8592 -12.8592 -12.6476 -12.6476 -12.6446 -12.6446 -1.8348 -1.8348 -1.8098 -1.8098 -1.0184 -1.0184 -0.7771 -0.7771 -0.6203 -0.6203 -0.2071 -0.2071 0.1606 0.1606 0.3989 0.3989 1.3746 1.3746 1.5133 1.5133 1.7157 1.7157 1.8363 1.8363 2.0400 2.0400 2.1383 2.1383 2.2397 2.2397 2.3095 2.3095 2.4209 2.4209 2.5276 2.5276 3.3989 3.3989 3.6756 3.6756 4.0883 4.0883 4.1402 4.1402 4.5453 4.5453 4.6603 4.6603 5.0180 5.0180 5.1649 5.1649 6.3563 6.3563 6.3711 6.3711 11.8899 11.8899 11.9947 11.9947 13.2064 13.2064 13.4644 13.4644 15.1585 15.1585 15.4967 15.4967 17.3862 17.3862 k = 0.3354-0.2986-0.6854 ( 3446 PWs) bands (ev): -15.7466 -15.7466 -15.7431 -15.7431 -12.8707 -12.8707 -12.8578 -12.8578 -12.6509 -12.6509 -12.6373 -12.6373 -1.8250 -1.8250 -1.8194 -1.8194 -1.0029 -1.0029 -0.8019 -0.8019 -0.6181 -0.6181 -0.2101 -0.2101 0.1911 0.1911 0.4007 0.4007 1.3541 1.3541 1.5033 1.5033 1.7157 1.7157 1.8503 1.8503 2.0346 2.0346 2.1353 2.1353 2.2408 2.2408 2.3082 2.3082 2.4211 2.4211 2.5329 2.5329 3.4071 3.4071 3.6856 3.6856 4.0577 4.0577 4.1935 4.1935 4.5158 4.5158 4.6334 4.6334 5.0016 5.0016 5.1868 5.1868 6.3427 6.3427 6.3832 6.3832 11.9009 11.9009 12.0005 12.0005 13.2338 13.2338 13.4436 13.4436 15.1549 15.1549 15.4632 15.4632 17.3888 17.3888 k = 0.3427-0.3051-0.7003 ( 3448 PWs) bands (ev): -15.7529 -15.7529 -15.7365 -15.7365 -12.8773 -12.8773 -12.8557 -12.8557 -12.6541 -12.6541 -12.6300 -12.6300 -1.8367 -1.8367 -1.8119 -1.8119 -0.9864 -0.9864 -0.8253 -0.8253 -0.6151 -0.6151 -0.2119 -0.2119 0.2169 0.2169 0.4025 0.4025 1.3320 1.3320 1.4908 1.4908 1.7213 1.7213 1.8660 1.8660 2.0308 2.0308 2.1333 2.1333 2.2414 2.2414 2.3082 2.3082 2.4208 2.4208 2.5404 2.5404 3.4166 3.4166 3.6964 3.6964 4.0259 4.0259 4.2466 4.2466 4.4860 4.4860 4.6047 4.6047 4.9860 4.9860 5.2101 5.2101 6.3146 6.3146 6.4052 6.4052 11.9063 11.9063 12.0084 12.0084 13.2585 13.2585 13.4284 13.4284 15.1395 15.1395 15.4459 15.4459 17.3877 17.3877 k = 0.3500-0.3116-0.7152 ( 3444 PWs) bands (ev): -15.7592 -15.7592 -15.7304 -15.7304 -12.8838 -12.8838 -12.8531 -12.8531 -12.6572 -12.6572 -12.6226 -12.6226 -1.8550 -1.8550 -1.8019 -1.8019 -0.9692 -0.9692 -0.8471 -0.8471 -0.6113 -0.6113 -0.2125 -0.2125 0.2376 0.2376 0.4047 0.4047 1.3090 1.3090 1.4766 1.4766 1.7322 1.7322 1.8817 1.8817 2.0292 2.0292 2.1322 2.1322 2.2415 2.2415 2.3094 2.3094 2.4203 2.4203 2.5503 2.5503 3.4275 3.4275 3.7076 3.7076 3.9930 3.9930 4.2984 4.2984 4.4567 4.4567 4.5747 4.5747 4.9712 4.9712 5.2343 5.2343 6.2840 6.2840 6.4255 6.4255 11.9071 11.9071 12.0175 12.0175 13.2806 13.2806 13.4185 13.4185 15.1111 15.1111 15.4457 15.4457 17.3825 17.3825 k = 0.3573-0.3180-0.7301 ( 3442 PWs) bands (ev): -15.7653 -15.7653 -15.7247 -15.7247 -12.8901 -12.8901 -12.8499 -12.8499 -12.6602 -12.6602 -12.6152 -12.6152 -1.8764 -1.8764 -1.7926 -1.7926 -0.9512 -0.9512 -0.8675 -0.8675 -0.6066 -0.6066 -0.2119 -0.2119 0.2529 0.2529 0.4074 0.4074 1.2858 1.2858 1.4613 1.4613 1.7478 1.7478 1.8957 1.8957 2.0304 2.0304 2.1323 2.1323 2.2411 2.2411 2.3117 2.3117 2.4196 2.4196 2.5628 2.5628 3.4396 3.4396 3.7190 3.7190 3.9589 3.9589 4.3461 4.3461 4.4302 4.4302 4.5440 4.5440 4.9573 4.9573 5.2589 5.2589 6.2511 6.2511 6.4441 6.4441 11.9047 11.9047 12.0262 12.0262 13.3004 13.3004 13.4139 13.4139 15.0724 15.0724 15.4597 15.4597 17.3729 17.3729 k = 0.6427-0.0937-0.5832 ( 3442 PWs) bands (ev): -15.7653 -15.7653 -15.7247 -15.7247 -12.8901 -12.8901 -12.8499 -12.8499 -12.6603 -12.6603 -12.6152 -12.6152 -1.8764 -1.8764 -1.7926 -1.7926 -0.9512 -0.9512 -0.8675 -0.8675 -0.6066 -0.6066 -0.2119 -0.2119 0.2529 0.2529 0.4074 0.4074 1.2858 1.2858 1.4613 1.4613 1.7479 1.7479 1.8957 1.8957 2.0304 2.0304 2.1323 2.1323 2.2411 2.2411 2.3117 2.3117 2.4196 2.4196 2.5628 2.5628 3.4396 3.4396 3.7190 3.7190 3.9590 3.9590 4.3461 4.3461 4.4302 4.4302 4.5440 4.5440 4.9573 4.9573 5.2589 5.2589 6.2511 6.2511 6.4441 6.4441 11.9047 11.9047 12.0262 12.0262 13.3004 13.3004 13.4139 13.4139 15.0724 15.0724 15.4597 15.4597 17.3729 17.3729 k = 0.6356-0.0778-0.5832 ( 3446 PWs) bands (ev): -15.7711 -15.7711 -15.7196 -15.7196 -12.8961 -12.8961 -12.8463 -12.8463 -12.6631 -12.6631 -12.6080 -12.6080 -1.8999 -1.8999 -1.7841 -1.7841 -0.9331 -0.9331 -0.8859 -0.8859 -0.6012 -0.6012 -0.2101 -0.2101 0.2625 0.2625 0.4104 0.4104 1.2633 1.2633 1.4456 1.4456 1.7671 1.7671 1.9065 1.9065 2.0348 2.0348 2.1335 2.1335 2.2403 2.2403 2.3150 2.3150 2.4188 2.4188 2.5777 2.5777 3.4525 3.4525 3.7299 3.7299 3.9246 3.9246 4.3705 4.3705 4.4247 4.4247 4.5140 4.5140 4.9449 4.9449 5.2831 5.2831 6.2171 6.2171 6.4607 6.4607 11.9002 11.9002 12.0336 12.0336 13.3177 13.3177 13.4141 13.4141 15.0283 15.0283 15.4833 15.4833 17.3596 17.3596 k = 0.6284-0.0619-0.5832 ( 3438 PWs) bands (ev): -15.7768 -15.7768 -15.7148 -15.7148 -12.9019 -12.9019 -12.8423 -12.8423 -12.6658 -12.6658 -12.6009 -12.6009 -1.9254 -1.9254 -1.7763 -1.7763 -0.9148 -0.9148 -0.9029 -0.9029 -0.5949 -0.5949 -0.2071 -0.2071 0.2672 0.2672 0.4135 0.4135 1.2414 1.2414 1.4296 1.4296 1.7896 1.7896 1.9137 1.9137 2.0427 2.0427 2.1359 2.1359 2.2392 2.2392 2.3193 2.3193 2.4182 2.4182 2.5955 2.5955 3.4665 3.4665 3.7403 3.7403 3.8892 3.8892 4.3534 4.3534 4.4558 4.4558 4.4875 4.4875 4.9337 4.9337 5.3071 5.3071 6.1813 6.1813 6.4757 6.4757 11.8945 11.8945 12.0392 12.0392 13.3332 13.3332 13.4188 13.4188 14.9810 14.9810 15.5134 15.5134 17.3427 17.3427 k = 0.6213-0.0460-0.5832 ( 3432 PWs) bands (ev): -15.7824 -15.7824 -15.7105 -15.7105 -12.9074 -12.9074 -12.8379 -12.8379 -12.6684 -12.6684 -12.5940 -12.5940 -1.9524 -1.9524 -1.7693 -1.7693 -0.9192 -0.9192 -0.8958 -0.8958 -0.5878 -0.5878 -0.2031 -0.2031 0.2677 0.2677 0.4161 0.4161 1.2205 1.2205 1.4136 1.4136 1.8144 1.8144 1.9178 1.9178 2.0533 2.0533 2.1395 2.1395 2.2378 2.2378 2.3242 2.3242 2.4180 2.4180 2.6163 2.6163 3.4811 3.4811 3.7493 3.7493 3.8530 3.8530 4.3267 4.3267 4.4491 4.4491 4.5069 4.5069 4.9241 4.9241 5.3308 5.3308 6.1442 6.1442 6.4893 6.4893 11.8880 11.8880 12.0429 12.0429 13.3472 13.3472 13.4273 13.4273 14.9323 14.9323 15.5481 15.5481 17.3228 17.3228 k = 0.6142-0.0301-0.5832 ( 3436 PWs) bands (ev): -15.7878 -15.7878 -15.7065 -15.7065 -12.9128 -12.9128 -12.8334 -12.8334 -12.6709 -12.6709 -12.5872 -12.5872 -1.9804 -1.9804 -1.7629 -1.7629 -0.9340 -0.9340 -0.8770 -0.8770 -0.5799 -0.5799 -0.1980 -0.1980 0.2647 0.2647 0.4176 0.4176 1.2006 1.2006 1.3978 1.3978 1.8400 1.8400 1.9201 1.9201 2.0657 2.0657 2.1444 2.1444 2.2363 2.2363 2.3297 2.3297 2.4184 2.4184 2.6404 2.6404 3.4962 3.4962 3.7561 3.7561 3.8165 3.8165 4.2993 4.2993 4.4212 4.4212 4.5470 4.5470 4.9164 4.9164 5.3539 5.3539 6.1060 6.1060 6.5015 6.5015 11.8810 11.8810 12.0444 12.0444 13.3597 13.3597 13.4393 13.4393 14.8834 14.8834 15.5859 15.5859 17.3003 17.3003 k = 0.6070-0.0142-0.5832 ( 3438 PWs) bands (ev): -15.7929 -15.7929 -15.7029 -15.7029 -12.9179 -12.9179 -12.8286 -12.8286 -12.6732 -12.6732 -12.5806 -12.5806 -2.0089 -2.0089 -1.7573 -1.7573 -0.9477 -0.9477 -0.8582 -0.8582 -0.5712 -0.5712 -0.1920 -0.1920 0.2591 0.2591 0.4177 0.4177 1.1820 1.1820 1.3823 1.3823 1.8638 1.8638 1.9231 1.9231 2.0790 2.0790 2.1509 2.1509 2.2347 2.2347 2.3354 2.3354 2.4198 2.4198 2.6675 2.6675 3.5113 3.5113 3.7563 3.7563 3.7836 3.7836 4.2729 4.2729 4.3933 4.3933 4.5849 4.5849 4.9113 4.9113 5.3763 5.3763 6.0669 6.0669 6.5125 6.5125 11.8740 11.8740 12.0441 12.0441 13.3709 13.3709 13.4542 13.4542 14.8351 14.8351 15.6258 15.6258 17.2760 17.2760 k = 0.5999 0.0017-0.5832 ( 3438 PWs) bands (ev): -15.7978 -15.7978 -15.6997 -15.6997 -12.9227 -12.9227 -12.8237 -12.8237 -12.6755 -12.6755 -12.5744 -12.5744 -2.0375 -2.0375 -1.7524 -1.7524 -0.9606 -0.9606 -0.8396 -0.8396 -0.5617 -0.5617 -0.1853 -0.1853 0.2516 0.2516 0.4160 0.4160 1.1647 1.1647 1.3674 1.3674 1.8806 1.8806 1.9315 1.9315 2.0926 2.0926 2.1591 2.1591 2.2330 2.2330 2.3414 2.3414 2.4227 2.4227 2.6978 2.6978 3.5256 3.5256 3.7320 3.7320 3.7718 3.7718 4.2485 4.2485 4.3666 4.3666 4.6184 4.6184 4.9095 4.9095 5.3979 5.3979 6.0273 6.0273 6.5223 6.5223 11.8672 11.8672 12.0419 12.0419 13.3811 13.3811 13.4713 13.4713 14.7880 14.7880 15.6670 15.6670 17.2504 17.2504 k = 0.5928 0.0176-0.5832 ( 3436 PWs) bands (ev): -15.8025 -15.8025 -15.6967 -15.6967 -12.9273 -12.9273 -12.8187 -12.8187 -12.6775 -12.6775 -12.5683 -12.5683 -2.0657 -2.0657 -1.7481 -1.7481 -0.9725 -0.9725 -0.8214 -0.8214 -0.5516 -0.5516 -0.1781 -0.1781 0.2427 0.2427 0.4125 0.4125 1.1488 1.1488 1.3531 1.3531 1.8870 1.8870 1.9479 1.9479 2.1060 2.1060 2.1696 2.1696 2.2313 2.2313 2.3473 2.3473 2.4276 2.4276 2.7311 2.7311 3.5377 3.5377 3.6964 3.6964 3.7686 3.7686 4.2266 4.2266 4.3417 4.3417 4.6463 4.6463 4.9118 4.9118 5.4185 5.4185 5.9875 5.9875 6.5310 6.5310 11.8607 11.8607 12.0382 12.0382 13.3903 13.3903 13.4902 13.4902 14.7424 14.7424 15.7090 15.7090 17.2240 17.2240 k = 0.5856 0.0335-0.5832 ( 3440 PWs) bands (ev): -15.8069 -15.8069 -15.6941 -15.6941 -12.9316 -12.9316 -12.8138 -12.8138 -12.6795 -12.6795 -12.5627 -12.5627 -2.0932 -2.0932 -1.7445 -1.7445 -0.9835 -0.9835 -0.8038 -0.8038 -0.5410 -0.5410 -0.1704 -0.1704 0.2330 0.2330 0.4072 0.4072 1.1344 1.1344 1.3396 1.3396 1.8869 1.8869 1.9675 1.9675 2.1183 2.1183 2.1828 2.1828 2.2297 2.2297 2.3530 2.3530 2.4352 2.4352 2.7669 2.7669 3.5440 3.5440 3.6634 3.6634 3.7626 3.7626 4.2080 4.2080 4.3189 4.3189 4.6677 4.6677 4.9187 4.9187 5.4381 5.4381 5.9478 5.9478 6.5387 6.5387 11.8546 11.8546 12.0332 12.0332 13.3988 13.3988 13.5101 13.5101 14.6988 14.6988 15.7511 15.7511 17.1972 17.1972 k = 0.5785 0.0494-0.5832 ( 3444 PWs) bands (ev): -15.8110 -15.8110 -15.6918 -15.6918 -12.9356 -12.9356 -12.8089 -12.8089 -12.6813 -12.6813 -12.5573 -12.5573 -2.1197 -2.1197 -1.7414 -1.7414 -0.9936 -0.9936 -0.7868 -0.7868 -0.5301 -0.5301 -0.1625 -0.1625 0.2229 0.2229 0.4002 0.4002 1.1212 1.1212 1.3268 1.3268 1.8841 1.8841 1.9859 1.9859 2.1291 2.1291 2.1987 2.1987 2.2284 2.2284 2.3583 2.3583 2.4466 2.4466 2.8051 2.8051 3.5370 3.5370 3.6414 3.6414 3.7520 3.7520 4.1930 4.1930 4.2985 4.2985 4.6825 4.6825 4.9302 4.9302 5.4567 5.4567 5.9086 5.9086 6.5455 6.5455 11.8491 11.8491 12.0271 12.0271 13.4065 13.4065 13.5306 13.5306 14.6575 14.6575 15.7929 15.7929 17.1705 17.1705 k = 0.5713 0.0653-0.5832 ( 3436 PWs) bands (ev): -15.8149 -15.8149 -15.6897 -15.6897 -12.9393 -12.9393 -12.8042 -12.8042 -12.6829 -12.6829 -12.5523 -12.5523 -2.1448 -2.1448 -1.7389 -1.7389 -1.0029 -1.0029 -0.7706 -0.7706 -0.5190 -0.5190 -0.1546 -0.1546 0.2128 0.2128 0.3919 0.3919 1.1094 1.1094 1.3150 1.3150 1.8803 1.8803 2.0014 2.0014 2.1381 2.1381 2.2151 2.2151 2.2287 2.2287 2.3632 2.3632 2.4628 2.4628 2.8452 2.8452 3.5112 3.5112 3.6361 3.6361 3.7365 3.7365 4.1816 4.1816 4.2809 4.2809 4.6914 4.6914 4.9455 4.9455 5.4741 5.4741 5.8704 5.8704 6.5515 6.5515 11.8443 11.8443 12.0203 12.0203 13.4135 13.4135 13.5511 13.5511 14.6186 14.6186 15.8339 15.8339 17.1441 17.1441 k = 0.5642 0.0812-0.5832 ( 3440 PWs) bands (ev): -15.8184 -15.8184 -15.6879 -15.6879 -12.9427 -12.9427 -12.7997 -12.7997 -12.6845 -12.6845 -12.5478 -12.5478 -2.1682 -2.1682 -1.7369 -1.7369 -1.0113 -1.0113 -0.7554 -0.7554 -0.5079 -0.5079 -0.1468 -0.1468 0.2031 0.2031 0.3824 0.3824 1.0989 1.0989 1.3042 1.3042 1.8762 1.8762 2.0137 2.0137 2.1454 2.1454 2.2218 2.2218 2.2391 2.2391 2.3674 2.3674 2.4848 2.4848 2.8868 2.8868 3.4726 3.4726 3.6411 3.6411 3.7161 3.7161 4.1735 4.1735 4.2662 4.2662 4.6955 4.6955 4.9633 4.9633 5.4904 5.4904 5.8334 5.8334 6.5567 6.5567 11.8401 11.8401 12.0130 12.0130 13.4200 13.4200 13.5711 13.5711 14.5825 14.5825 15.8735 15.8735 17.1184 17.1184 k = 0.5571 0.0971-0.5832 ( 3442 PWs) bands (ev): -15.8215 -15.8215 -15.6863 -15.6863 -12.9457 -12.9457 -12.7955 -12.7955 -12.6858 -12.6858 -12.5436 -12.5436 -2.1898 -2.1898 -1.7353 -1.7353 -1.0188 -1.0188 -0.7413 -0.7413 -0.4971 -0.4971 -0.1394 -0.1394 0.1940 0.1940 0.3722 0.3722 1.0895 1.0895 1.2943 1.2943 1.8720 1.8720 2.0232 2.0232 2.1514 2.1514 2.2215 2.2215 2.2550 2.2550 2.3710 2.3710 2.5131 2.5131 2.9295 2.9295 3.4280 3.4280 3.6497 3.6497 3.6917 3.6917 4.1681 4.1681 4.2546 4.2546 4.6963 4.6963 4.9822 4.9822 5.5056 5.5056 5.7980 5.7980 6.5611 6.5611 11.8367 11.8367 12.0054 12.0054 13.4259 13.4259 13.5902 13.5902 14.5494 14.5494 15.9113 15.9113 17.0938 17.0938 k = 0.5499 0.1130-0.5832 ( 3442 PWs) bands (ev): -15.8243 -15.8243 -15.6850 -15.6850 -12.9484 -12.9484 -12.7917 -12.7917 -12.6870 -12.6870 -12.5399 -12.5399 -2.2093 -2.2093 -1.7341 -1.7341 -1.0254 -1.0254 -0.7284 -0.7284 -0.4868 -0.4868 -0.1324 -0.1324 0.1859 0.1859 0.3615 0.3615 1.0815 1.0815 1.2855 1.2855 1.8681 1.8681 2.0305 2.0305 2.1563 2.1563 2.2205 2.2205 2.2691 2.2691 2.3741 2.3741 2.5473 2.5473 2.9727 2.9727 3.3805 3.3805 3.6553 3.6553 3.6673 3.6673 4.1647 4.1647 4.2461 4.2461 4.6948 4.6948 5.0009 5.0009 5.5197 5.5197 5.7647 5.7647 6.5650 6.5650 11.8341 11.8341 11.9979 11.9979 13.4311 13.4311 13.6080 13.6080 14.5195 14.5195 15.9467 15.9467 17.0707 17.0707 k = 0.5428 0.1289-0.5832 ( 3442 PWs) bands (ev): -15.8268 -15.8268 -15.6839 -15.6839 -12.9508 -12.9508 -12.7882 -12.7882 -12.6881 -12.6881 -12.5367 -12.5367 -2.2265 -2.2265 -1.7332 -1.7332 -1.0311 -1.0311 -0.7169 -0.7169 -0.4773 -0.4773 -0.1260 -0.1260 0.1789 0.1789 0.3508 0.3508 1.0745 1.0745 1.2778 1.2778 1.8645 1.8645 2.0359 2.0359 2.1603 2.1603 2.2195 2.2195 2.2806 2.2806 2.3767 2.3767 2.5863 2.5863 3.0158 3.0158 3.3317 3.3317 3.6302 3.6302 3.6703 3.6703 4.1626 4.1626 4.2405 4.2405 4.6921 4.6921 5.0185 5.0185 5.5328 5.5328 5.7337 5.7337 6.5682 6.5682 11.8321 11.8321 11.9906 11.9906 13.4359 13.4359 13.6241 13.6241 14.4930 14.4930 15.9791 15.9791 17.0493 17.0493 k = 0.5357 0.1448-0.5832 ( 3440 PWs) bands (ev): -15.8289 -15.8289 -15.6829 -15.6829 -12.9528 -12.9528 -12.7852 -12.7852 -12.6890 -12.6890 -12.5339 -12.5339 -2.2413 -2.2413 -1.7325 -1.7325 -1.0359 -1.0359 -0.7068 -0.7068 -0.4688 -0.4688 -0.1204 -0.1204 0.1731 0.1731 0.3406 0.3406 1.0687 1.0687 1.2712 1.2712 1.8613 1.8613 2.0399 2.0399 2.1635 2.1635 2.2186 2.2186 2.2895 2.2895 2.3789 2.3789 2.6285 2.6285 3.0581 3.0581 3.2828 3.2828 3.5978 3.5978 3.6778 3.6778 4.1612 4.1612 4.2374 4.2374 4.6888 4.6888 5.0342 5.0342 5.5452 5.5452 5.7054 5.7054 6.5708 6.5708 11.8307 11.8307 11.9839 11.9839 13.4400 13.4400 13.6383 13.6383 14.4702 14.4702 16.0079 16.0079 17.0301 17.0301 k = 0.5285 0.1607-0.5832 ( 3442 PWs) bands (ev): -15.8306 -15.8306 -15.6822 -15.6822 -12.9544 -12.9544 -12.7827 -12.7827 -12.6897 -12.6897 -12.5316 -12.5316 -2.2536 -2.2536 -1.7321 -1.7321 -1.0399 -1.0399 -0.6984 -0.6984 -0.4616 -0.4616 -0.1156 -0.1156 0.1685 0.1685 0.3314 0.3314 1.0640 1.0640 1.2658 1.2658 1.8585 1.8585 2.0428 2.0428 2.1660 2.1660 2.2178 2.2178 2.2961 2.2961 2.3807 2.3807 2.6719 2.6719 3.0985 3.0985 3.2352 3.2352 3.5646 3.5646 3.6843 3.6843 4.1604 4.1604 4.2361 4.2361 4.6855 4.6855 5.0476 5.0476 5.5569 5.5569 5.6799 5.6799 6.5729 6.5729 11.8297 11.8297 11.9779 11.9779 13.4434 13.4434 13.6502 13.6502 14.4513 14.4513 16.0326 16.0326 17.0136 17.0136 k = 0.5214 0.1766-0.5832 ( 3442 PWs) bands (ev): -15.8320 -15.8320 -15.6816 -15.6816 -12.9557 -12.9557 -12.7807 -12.7807 -12.6903 -12.6903 -12.5299 -12.5299 -2.2633 -2.2633 -1.7318 -1.7318 -1.0430 -1.0430 -0.6917 -0.6917 -0.4557 -0.4557 -0.1118 -0.1118 0.1652 0.1652 0.3235 0.3235 1.0604 1.0604 1.2615 1.2615 1.8564 1.8564 2.0449 2.0449 2.1680 2.1680 2.2172 2.2172 2.3009 2.3009 2.3820 2.3820 2.7140 2.7140 3.1347 3.1347 3.1915 3.1915 3.5328 3.5328 3.6894 3.6894 4.1598 4.1598 4.2360 4.2360 4.6826 4.6826 5.0583 5.0583 5.5683 5.5683 5.6573 5.6573 6.5745 6.5745 11.8292 11.8292 11.9730 11.9730 13.4462 13.4462 13.6597 13.6597 14.4363 14.4363 16.0526 16.0526 17.0002 17.0002 k = 0.5143 0.1925-0.5832 ( 3436 PWs) bands (ev): -15.8330 -15.8330 -15.6812 -15.6812 -12.9566 -12.9566 -12.7793 -12.7793 -12.6907 -12.6907 -12.5286 -12.5286 -2.2703 -2.2703 -1.7316 -1.7316 -1.0452 -1.0452 -0.6869 -0.6869 -0.4515 -0.4515 -0.1090 -0.1090 0.1629 0.1629 0.3174 0.3174 1.0578 1.0578 1.2585 1.2585 1.8549 1.8549 2.0463 2.0463 2.1693 2.1693 2.2168 2.2168 2.3041 2.3041 2.3830 2.3830 2.7512 2.7512 3.1453 3.1453 3.1738 3.1738 3.5049 3.5049 3.6930 3.6930 4.1595 4.1595 4.2364 4.2364 4.6803 4.6803 5.0661 5.0661 5.5798 5.5798 5.6376 5.6376 6.5756 6.5756 11.8289 11.8289 11.9693 11.9693 13.4482 13.4482 13.6667 13.6667 14.4256 14.4256 16.0673 16.0673 16.9902 16.9902 k = 0.5071 0.2084-0.5832 ( 3436 PWs) bands (ev): -15.8336 -15.8336 -15.6809 -15.6809 -12.9572 -12.9572 -12.7784 -12.7784 -12.6909 -12.6909 -12.5278 -12.5278 -2.2744 -2.2744 -1.7315 -1.7315 -1.0465 -1.0465 -0.6839 -0.6839 -0.4489 -0.4489 -0.1073 -0.1073 0.1617 0.1617 0.3136 0.3136 1.0563 1.0563 1.2566 1.2566 1.8540 1.8540 2.0470 2.0470 2.1701 2.1701 2.2165 2.2165 2.3060 2.3060 2.3836 2.3836 2.7781 2.7781 3.1209 3.1209 3.1927 3.1927 3.4850 3.4850 3.6951 3.6951 4.1594 4.1594 4.2369 4.2369 4.6788 4.6788 5.0709 5.0709 5.5919 5.5919 5.6205 5.6205 6.5763 6.5763 11.8288 11.8288 11.9670 11.9670 13.4494 13.4494 13.6709 13.6709 14.4191 14.4191 16.0764 16.0764 16.9841 16.9841 k = 0.5000 0.2243-0.5832 ( 3440 PWs) bands (ev): -15.8338 -15.8338 -15.6809 -15.6809 -12.9574 -12.9574 -12.7781 -12.7781 -12.6910 -12.6910 -12.5276 -12.5276 -2.2759 -2.2759 -1.7315 -1.7315 -1.0469 -1.0469 -0.6829 -0.6829 -0.4480 -0.4480 -0.1068 -0.1068 0.1613 0.1613 0.3123 0.3123 1.0558 1.0558 1.2560 1.2560 1.8536 1.8536 2.0472 2.0472 2.1704 2.1704 2.2164 2.2164 2.3066 2.3066 2.3838 2.3838 2.7882 2.7882 3.1108 3.1108 3.2005 3.2005 3.4776 3.4776 3.6958 3.6958 4.1593 4.1593 4.2371 4.2371 4.6783 4.6783 5.0725 5.0725 5.6032 5.6032 5.6074 5.6074 6.5765 6.5765 11.8288 11.8288 11.9662 11.9662 13.4498 13.4498 13.6723 13.6723 14.4169 14.4169 16.0794 16.0794 16.9820 16.9820 k = 0.5000 0.2243-0.5832 ( 3440 PWs) bands (ev): -15.8338 -15.8338 -15.6809 -15.6809 -12.9574 -12.9574 -12.7781 -12.7781 -12.6910 -12.6910 -12.5276 -12.5276 -2.2759 -2.2759 -1.7315 -1.7315 -1.0469 -1.0469 -0.6829 -0.6829 -0.4480 -0.4480 -0.1068 -0.1068 0.1613 0.1613 0.3123 0.3123 1.0558 1.0558 1.2560 1.2560 1.8536 1.8536 2.0472 2.0472 2.1704 2.1704 2.2164 2.2164 2.3066 2.3066 2.3838 2.3838 2.7882 2.7882 3.1108 3.1108 3.2005 3.2005 3.4776 3.4776 3.6958 3.6958 4.1593 4.1593 4.2371 4.2371 4.6783 4.6783 5.0725 5.0725 5.6032 5.6032 5.6074 5.6074 6.5765 6.5765 11.8288 11.8288 11.9662 11.9662 13.4498 13.4498 13.6723 13.6723 14.4169 14.4169 16.0794 16.0794 16.9820 16.9820 k = 0.5119 0.2297-0.5709 ( 3446 PWs) bands (ev): -15.8336 -15.8336 -15.6812 -15.6812 -12.9572 -12.9572 -12.7779 -12.7779 -12.6910 -12.6910 -12.5277 -12.5277 -2.2760 -2.2760 -1.7324 -1.7324 -1.0464 -1.0464 -0.6825 -0.6825 -0.4471 -0.4471 -0.1097 -0.1097 0.1622 0.1622 0.3119 0.3119 1.0577 1.0577 1.2567 1.2567 1.8540 1.8540 2.0467 2.0467 2.1703 2.1703 2.2162 2.2162 2.3064 2.3064 2.3835 2.3835 2.7866 2.7866 3.0971 3.0971 3.2134 3.2134 3.4782 3.4782 3.6963 3.6963 4.1597 4.1597 4.2372 4.2372 4.6798 4.6798 5.0727 5.0727 5.6028 5.6028 5.6082 5.6082 6.5754 6.5754 11.8271 11.8271 11.9654 11.9654 13.4487 13.4487 13.6729 13.6729 14.4194 14.4194 16.0811 16.0811 16.9755 16.9755 k = 0.5238 0.2350-0.5587 ( 3441 PWs) bands (ev): -15.8330 -15.8330 -15.6822 -15.6822 -12.9566 -12.9566 -12.7774 -12.7774 -12.6910 -12.6910 -12.5281 -12.5281 -2.2766 -2.2766 -1.7351 -1.7351 -1.0448 -1.0448 -0.6811 -0.6811 -0.4444 -0.4444 -0.1183 -0.1183 0.1649 0.1649 0.3106 0.3106 1.0634 1.0634 1.2588 1.2588 1.8550 1.8550 2.0451 2.0451 2.1702 2.1702 2.2158 2.2158 2.3059 2.3059 2.3827 2.3827 2.7821 2.7821 3.0679 3.0679 3.2404 3.2404 3.4800 3.4800 3.6977 3.6977 4.1609 4.1609 4.2378 4.2378 4.6843 4.6843 5.0733 5.0733 5.6016 5.6016 5.6106 5.6106 6.5722 6.5722 11.8222 11.8222 11.9629 11.9629 13.4456 13.4456 13.6748 13.6748 14.4270 14.4270 16.0863 16.0863 16.9566 16.9566 k = 0.5357 0.2403-0.5464 ( 3443 PWs) bands (ev): -15.8320 -15.8320 -15.6838 -15.6838 -12.9557 -12.9557 -12.7764 -12.7764 -12.6910 -12.6910 -12.5287 -12.5287 -2.2775 -2.2775 -1.7395 -1.7395 -1.0422 -1.0422 -0.6789 -0.6789 -0.4401 -0.4401 -0.1320 -0.1320 0.1688 0.1688 0.3086 0.3086 1.0730 1.0730 1.2624 1.2624 1.8568 1.8568 2.0424 2.0424 2.1699 2.1699 2.2150 2.2150 2.3050 2.3050 2.3814 2.3814 2.7746 2.7746 3.0334 3.0334 3.2710 3.2710 3.4830 3.4830 3.7000 3.7000 4.1630 4.1630 4.2387 4.2387 4.6917 4.6917 5.0744 5.0744 5.5995 5.5995 5.6146 5.6146 6.5667 6.5667 11.8141 11.8141 11.9589 11.9589 13.4403 13.4403 13.6780 13.6780 14.4396 14.4396 16.0948 16.0948 16.9273 16.9273 k = 0.5476 0.2457-0.5342 ( 3446 PWs) bands (ev): -15.8307 -15.8307 -15.6861 -15.6861 -12.9544 -12.9544 -12.7752 -12.7752 -12.6910 -12.6910 -12.5296 -12.5296 -2.2788 -2.2788 -1.7456 -1.7456 -1.0384 -1.0384 -0.6758 -0.6758 -0.4341 -0.4341 -0.1500 -0.1500 0.1733 0.1733 0.3058 0.3058 1.0860 1.0860 1.2674 1.2674 1.8592 1.8592 2.0385 2.0385 2.1694 2.1694 2.2141 2.2141 2.3038 2.3038 2.3796 2.3796 2.7646 2.7646 2.9972 2.9972 3.3020 3.3020 3.4870 3.4870 3.7032 3.7032 4.1657 4.1657 4.2400 4.2400 4.7019 4.7019 5.0760 5.0760 5.5967 5.5967 5.6201 5.6201 6.5592 6.5592 11.8029 11.8029 11.9532 11.9532 13.4329 13.4329 13.6825 13.6825 14.4571 14.4571 16.1065 16.1065 16.8900 16.8900 k = 0.5595 0.2510-0.5219 ( 3438 PWs) bands (ev): -15.8290 -15.8290 -15.6889 -15.6889 -12.9527 -12.9527 -12.7735 -12.7735 -12.6909 -12.6909 -12.5307 -12.5307 -2.2803 -2.2803 -1.7534 -1.7534 -1.0336 -1.0336 -0.6720 -0.6720 -0.4266 -0.4266 -0.1714 -0.1714 0.1777 0.1777 0.3025 0.3025 1.1023 1.1023 1.2738 1.2738 1.8623 1.8623 2.0334 2.0334 2.1687 2.1687 2.2130 2.2130 2.3024 2.3024 2.3773 2.3773 2.7523 2.7523 2.9604 2.9604 3.3322 3.3322 3.4918 3.4918 3.7075 3.7075 4.1691 4.1691 4.2419 4.2419 4.7147 4.7147 5.0781 5.0781 5.5932 5.5932 5.6270 5.6270 6.5494 6.5494 11.7889 11.7889 11.9460 11.9460 13.4234 13.4234 13.6885 13.6885 14.4794 14.4794 16.1215 16.1215 16.8468 16.8468 k = 0.5713 0.2563-0.5097 ( 3440 PWs) bands (ev): -15.8269 -15.8269 -15.6925 -15.6925 -12.9506 -12.9506 -12.7715 -12.7715 -12.6909 -12.6909 -12.5321 -12.5321 -2.2822 -2.2822 -1.7626 -1.7626 -1.0278 -1.0278 -0.6677 -0.6677 -0.4179 -0.4179 -0.1955 -0.1955 0.1815 0.1815 0.2986 0.2986 1.1216 1.1216 1.2815 1.2815 1.8660 1.8660 2.0270 2.0270 2.1677 2.1677 2.2118 2.2118 2.3008 2.3008 2.3745 2.3745 2.7381 2.7381 2.9236 2.9236 3.3610 3.3610 3.4972 3.4972 3.7128 3.7128 4.1730 4.1730 4.2444 4.2444 4.7300 4.7300 5.0808 5.0808 5.5890 5.5890 5.6353 5.6353 6.5375 6.5375 11.7721 11.7721 11.9372 11.9372 13.4118 13.4118 13.6960 13.6960 14.5062 14.5062 16.1394 16.1394 16.7998 16.7998 k = 0.5832 0.2617-0.4974 ( 3432 PWs) bands (ev): -15.8245 -15.8245 -15.6966 -15.6966 -12.9482 -12.9482 -12.7692 -12.7692 -12.6908 -12.6908 -12.5337 -12.5337 -2.2844 -2.2844 -1.7733 -1.7733 -1.0209 -1.0209 -0.6628 -0.6628 -0.4081 -0.4081 -0.2216 -0.2216 0.1844 0.1844 0.2945 0.2945 1.1436 1.1436 1.2906 1.2906 1.8702 1.8702 2.0193 2.0193 2.1661 2.1661 2.2108 2.2108 2.2990 2.2990 2.3713 2.3713 2.7224 2.7224 2.8873 2.8873 3.3880 3.3880 3.5032 3.5032 3.7191 3.7191 4.1772 4.1772 4.2477 4.2477 4.7475 4.7475 5.0840 5.0840 5.5842 5.5842 5.6450 5.6450 6.5235 6.5235 11.7530 11.7530 11.9270 11.9270 13.3981 13.3981 13.7050 13.7050 14.5374 14.5374 16.1603 16.1603 16.7504 16.7504 k = 0.5951 0.2670-0.4852 ( 3432 PWs) bands (ev): -15.8217 -15.8217 -15.7013 -15.7013 -12.9455 -12.9455 -12.7665 -12.7665 -12.6907 -12.6907 -12.5355 -12.5355 -2.2868 -2.2868 -1.7852 -1.7852 -1.0129 -1.0129 -0.6576 -0.6576 -0.3974 -0.3974 -0.2493 -0.2493 0.1860 0.1860 0.2902 0.2902 1.1678 1.1678 1.3011 1.3011 1.8750 1.8750 2.0102 2.0102 2.1639 2.1639 2.2099 2.2099 2.2971 2.2971 2.3678 2.3678 2.7057 2.7057 2.8519 2.8519 3.4131 3.4131 3.5094 3.5094 3.7266 3.7266 4.1815 4.1815 4.2520 4.2520 4.7669 4.7669 5.0878 5.0878 5.5788 5.5788 5.6558 5.6558 6.5074 6.5074 11.7317 11.7317 11.9154 11.9154 13.3822 13.3822 13.7157 13.7157 14.5729 14.5729 16.1837 16.1837 16.6997 16.6997 k = 0.6070 0.2723-0.4729 ( 3430 PWs) bands (ev): -15.8186 -15.8186 -15.7066 -15.7066 -12.9424 -12.9424 -12.7635 -12.7635 -12.6906 -12.6906 -12.5376 -12.5376 -2.2895 -2.2895 -1.7983 -1.7983 -1.0040 -1.0040 -0.6522 -0.6522 -0.3862 -0.3862 -0.2780 -0.2780 0.1861 0.1861 0.2860 0.2860 1.1939 1.1939 1.3129 1.3129 1.8801 1.8801 1.9996 1.9996 2.1608 2.1608 2.2094 2.2094 2.2951 2.2951 2.3640 2.3640 2.6882 2.6882 2.8178 2.8178 3.4359 3.4359 3.5158 3.5158 3.7354 3.7354 4.1857 4.1857 4.2574 4.2574 4.7880 4.7880 5.0923 5.0923 5.5730 5.5730 5.6678 5.6678 6.4892 6.4892 11.7086 11.7086 11.9024 11.9024 13.3642 13.3642 13.7282 13.7282 14.6123 14.6123 16.2096 16.2096 16.6487 16.6487 k = 0.6189 0.2777-0.4607 ( 3435 PWs) bands (ev): -15.8151 -15.8151 -15.7125 -15.7125 -12.9390 -12.9390 -12.7601 -12.7601 -12.6905 -12.6905 -12.5400 -12.5400 -2.2924 -2.2924 -1.8124 -1.8124 -0.9940 -0.9940 -0.6467 -0.6467 -0.3748 -0.3748 -0.3073 -0.3073 0.1847 0.1847 0.2822 0.2822 1.2214 1.2214 1.3261 1.3261 1.8856 1.8856 1.9877 1.9877 2.1567 2.1567 2.2093 2.2093 2.2931 2.2931 2.3600 2.3600 2.6703 2.6703 2.7854 2.7854 3.4562 3.4562 3.5222 3.5222 3.7454 3.7454 4.1895 4.1895 4.2640 4.2640 4.8107 4.8107 5.0973 5.0973 5.5667 5.5667 5.6807 5.6807 6.4689 6.4689 11.6840 11.6840 11.8882 11.8882 13.3441 13.3441 13.7425 13.7425 14.6555 14.6555 16.2377 16.2377 16.5980 16.5980 k = 0.6308 0.2830-0.4484 ( 3433 PWs) bands (ev): -15.8113 -15.8113 -15.7189 -15.7189 -12.9352 -12.9352 -12.7565 -12.7565 -12.6903 -12.6903 -12.5425 -12.5425 -2.2954 -2.2954 -1.8274 -1.8274 -0.9830 -0.9830 -0.6414 -0.6414 -0.3637 -0.3637 -0.3368 -0.3368 0.1816 0.1816 0.2790 0.2790 1.2499 1.2499 1.3406 1.3406 1.8911 1.8911 1.9747 1.9747 2.1516 2.1516 2.2098 2.2098 2.2910 2.2910 2.3559 2.3559 2.6523 2.6523 2.7549 2.7549 3.4741 3.4741 3.5286 3.5286 3.7567 3.7567 4.1928 4.1928 4.2720 4.2720 4.8345 4.8345 5.1031 5.1031 5.5602 5.5602 5.6946 5.6946 6.4466 6.4466 11.6581 11.6581 11.8729 11.8729 13.3219 13.3219 13.7587 13.7587 14.7023 14.7023 16.2678 16.2678 16.5481 16.5481 k = 0.6427 0.2883-0.4362 ( 3439 PWs) bands (ev): -15.8072 -15.8072 -15.7258 -15.7258 -12.9312 -12.9312 -12.7525 -12.7525 -12.6900 -12.6900 -12.5453 -12.5453 -2.2985 -2.2985 -1.8432 -1.8432 -0.9712 -0.9712 -0.6366 -0.6366 -0.3671 -0.3671 -0.3521 -0.3521 0.1768 0.1768 0.2766 0.2766 1.2790 1.2790 1.3566 1.3566 1.8962 1.8962 1.9609 1.9609 2.1454 2.1454 2.2108 2.2108 2.2890 2.2890 2.3520 2.3520 2.6342 2.6342 2.7269 2.7269 3.4893 3.4893 3.5349 3.5349 3.7694 3.7694 4.1955 4.1955 4.2814 4.2814 4.8594 4.8594 5.1095 5.1095 5.5534 5.5534 5.7092 5.7092 6.4223 6.4223 11.6313 11.6313 11.8565 11.8565 13.2975 13.2975 13.7768 13.7768 14.7525 14.7525 16.2996 16.2996 16.4995 16.4995 k = 0.6427 0.2883-0.4362 ( 3439 PWs) bands (ev): -15.8072 -15.8072 -15.7258 -15.7258 -12.9312 -12.9312 -12.7525 -12.7525 -12.6900 -12.6900 -12.5453 -12.5453 -2.2985 -2.2985 -1.8432 -1.8432 -0.9712 -0.9712 -0.6366 -0.6366 -0.3671 -0.3671 -0.3521 -0.3521 0.1768 0.1768 0.2766 0.2766 1.2790 1.2790 1.3566 1.3566 1.8962 1.8962 1.9609 1.9609 2.1454 2.1454 2.2108 2.2108 2.2890 2.2890 2.3520 2.3520 2.6342 2.6342 2.7269 2.7269 3.4893 3.4893 3.5349 3.5349 3.7694 3.7694 4.1955 4.1955 4.2814 4.2814 4.8594 4.8594 5.1095 5.1095 5.5534 5.5534 5.7092 5.7092 6.4223 6.4223 11.6313 11.6313 11.8565 11.8565 13.2975 13.2975 13.7768 13.7768 14.7525 14.7525 16.2996 16.2996 16.4995 16.4995 k = 0.6385 0.2865-0.4190 ( 3431 PWs) bands (ev): -15.8061 -15.8061 -15.7321 -15.7321 -12.9267 -12.9267 -12.7501 -12.7501 -12.6863 -12.6863 -12.5453 -12.5453 -2.3101 -2.3101 -1.8689 -1.8689 -0.9581 -0.9581 -0.6342 -0.6342 -0.3790 -0.3790 -0.3582 -0.3582 0.1695 0.1695 0.2856 0.2856 1.3062 1.3062 1.3612 1.3612 1.8962 1.8962 1.9484 1.9484 2.1460 2.1460 2.2124 2.2124 2.2882 2.2882 2.3527 2.3527 2.6153 2.6153 2.7012 2.7012 3.5403 3.5403 3.5741 3.5741 3.7849 3.7849 4.1951 4.1951 4.2697 4.2697 4.8782 4.8782 5.1081 5.1081 5.5472 5.5472 5.7009 5.7009 6.3923 6.3923 11.6013 11.6013 11.8261 11.8261 13.3023 13.3023 13.8146 13.8146 14.7660 14.7660 16.3144 16.3144 16.4757 16.4757 k = 0.6343 0.2846-0.4019 ( 3434 PWs) bands (ev): -15.8055 -15.8055 -15.7386 -15.7386 -12.9212 -12.9212 -12.7473 -12.7473 -12.6823 -12.6823 -12.5452 -12.5452 -2.3225 -2.3225 -1.8982 -1.8982 -0.9448 -0.9448 -0.6318 -0.6318 -0.3901 -0.3901 -0.3660 -0.3660 0.1628 0.1628 0.2919 0.2919 1.3311 1.3311 1.3709 1.3709 1.8951 1.8951 1.9362 1.9362 2.1471 2.1471 2.2146 2.2146 2.2880 2.2880 2.3539 2.3539 2.5950 2.5950 2.6788 2.6788 3.5891 3.5891 3.6166 3.6166 3.8029 3.8029 4.1961 4.1961 4.2617 4.2617 4.8970 4.8970 5.1058 5.1058 5.5401 5.5401 5.6905 5.6905 6.3591 6.3591 11.5689 11.5689 11.7896 11.7896 13.3133 13.3133 13.8464 13.8464 14.7867 14.7867 16.3320 16.3320 16.4542 16.4542 k = 0.6301 0.2827-0.3847 ( 3435 PWs) bands (ev): -15.8056 -15.8056 -15.7452 -15.7452 -12.9147 -12.9147 -12.7443 -12.7443 -12.6780 -12.6780 -12.5450 -12.5450 -2.3357 -2.3357 -1.9305 -1.9305 -0.9313 -0.9313 -0.6296 -0.6296 -0.4001 -0.4001 -0.3754 -0.3754 0.1568 0.1568 0.2956 0.2956 1.3514 1.3514 1.3873 1.3873 1.8919 1.8919 1.9254 1.9254 2.1492 2.1492 2.2173 2.2173 2.2884 2.2884 2.3555 2.3555 2.5737 2.5737 2.6597 2.6597 3.6332 3.6332 3.6642 3.6642 3.8238 3.8238 4.1975 4.1975 4.2585 4.2585 4.9155 4.9155 5.1028 5.1028 5.5322 5.5322 5.6782 5.6782 6.3228 6.3228 11.5343 11.5343 11.7477 11.7477 13.3295 13.3295 13.8715 13.8715 14.8150 14.8150 16.3520 16.3520 16.4354 16.4354 k = 0.6259 0.2808-0.3676 ( 3439 PWs) bands (ev): -15.8062 -15.8062 -15.7519 -15.7519 -12.9072 -12.9072 -12.7411 -12.7411 -12.6735 -12.6735 -12.5448 -12.5448 -2.3496 -2.3496 -1.9655 -1.9655 -0.9177 -0.9177 -0.6278 -0.6278 -0.4092 -0.4092 -0.3861 -0.3861 0.1516 0.1516 0.2969 0.2969 1.3680 1.3680 1.4087 1.4087 1.8849 1.8849 1.9173 1.9173 2.1524 2.1524 2.2206 2.2206 2.2894 2.2894 2.3576 2.3576 2.5519 2.5519 2.6437 2.6437 3.6739 3.6739 3.7145 3.7145 3.8482 3.8482 4.1983 4.1983 4.2614 4.2614 4.9338 4.9338 5.0989 5.0989 5.5233 5.5233 5.6642 5.6642 6.2836 6.2836 11.4977 11.4977 11.7014 11.7014 13.3499 13.3499 13.8900 13.8900 14.8510 14.8510 16.3728 16.3728 16.4207 16.4207 k = 0.6217 0.2789-0.3504 ( 3449 PWs) bands (ev): -15.8073 -15.8073 -15.7588 -15.7588 -12.8989 -12.8989 -12.7376 -12.7376 -12.6687 -12.6687 -12.5446 -12.5446 -2.3642 -2.3642 -2.0027 -2.0027 -0.9042 -0.9042 -0.6264 -0.6264 -0.4175 -0.4175 -0.3979 -0.3979 0.1472 0.1472 0.2960 0.2960 1.3837 1.3837 1.4317 1.4317 1.8739 1.8739 1.9121 1.9121 2.1568 2.1568 2.2245 2.2245 2.2910 2.2910 2.3602 2.3602 2.5303 2.5303 2.6303 2.6303 3.7131 3.7131 3.7637 3.7637 3.8774 3.8774 4.1983 4.1983 4.2705 4.2705 4.9515 4.9515 5.0942 5.0942 5.5134 5.5134 5.6488 5.6488 6.2419 6.2419 11.4593 11.4593 11.6513 11.6513 13.3733 13.3733 13.9020 13.9020 14.8946 14.8946 16.3869 16.3869 16.4179 16.4179 k = 0.6175 0.2770-0.3333 ( 3447 PWs) bands (ev): -15.8089 -15.8089 -15.7657 -15.7657 -12.8898 -12.8898 -12.7339 -12.7339 -12.6638 -12.6638 -12.5444 -12.5444 -2.3796 -2.3796 -2.0417 -2.0417 -0.8907 -0.8907 -0.6255 -0.6255 -0.4251 -0.4251 -0.4106 -0.4106 0.1438 0.1438 0.2931 0.2931 1.3999 1.3999 1.4540 1.4540 1.8605 1.8605 1.9081 1.9081 2.1626 2.1626 2.2290 2.2290 2.2934 2.2934 2.3632 2.3632 2.5099 2.5099 2.6190 2.6190 3.7519 3.7519 3.8089 3.8089 3.9134 3.9134 4.1982 4.1982 4.2849 4.2849 4.9687 4.9687 5.0887 5.0887 5.5027 5.5027 5.6321 5.6321 6.1978 6.1978 11.4192 11.4192 11.5983 11.5983 13.3987 13.3987 13.9079 13.9079 14.9454 14.9454 16.3839 16.3839 16.4375 16.4375 k = 0.6133 0.2752-0.3161 ( 3452 PWs) bands (ev): -15.8110 -15.8110 -15.7726 -15.7726 -12.8798 -12.8798 -12.7299 -12.7299 -12.6587 -12.6587 -12.5442 -12.5442 -2.3956 -2.3956 -2.0819 -2.0819 -0.8774 -0.8774 -0.6252 -0.6252 -0.4324 -0.4324 -0.4237 -0.4237 0.1414 0.1414 0.2886 0.2886 1.4169 1.4169 1.4745 1.4745 1.8459 1.8459 1.9040 1.9040 2.1696 2.1696 2.2337 2.2337 2.2965 2.2965 2.3666 2.3666 2.4912 2.4912 2.6093 2.6093 3.7906 3.7906 3.8482 3.8482 3.9568 3.9568 4.1991 4.1991 4.3037 4.3037 4.9851 4.9851 5.0824 5.0824 5.4911 5.4911 5.6145 5.6145 6.1516 6.1516 11.3775 11.3775 11.5430 11.5430 13.4250 13.4250 13.9083 13.9083 15.0028 15.0028 16.3774 16.3774 16.4659 16.4659 k = 0.6091 0.2733-0.2990 ( 3449 PWs) bands (ev): -15.8135 -15.8135 -15.7796 -15.7796 -12.8692 -12.8692 -12.7257 -12.7257 -12.6534 -12.6534 -12.5440 -12.5440 -2.4122 -2.4122 -2.1230 -2.1230 -0.8642 -0.8642 -0.6254 -0.6254 -0.4412 -0.4412 -0.4356 -0.4356 0.1400 0.1400 0.2829 0.2829 1.4346 1.4346 1.4929 1.4929 1.8310 1.8310 1.8990 1.8990 2.1777 2.1777 2.2387 2.2387 2.3004 2.3004 2.3703 2.3703 2.4748 2.4748 2.6011 2.6011 3.8292 3.8292 3.8825 3.8825 4.0063 4.0063 4.2016 4.2016 4.3263 4.3263 5.0007 5.0007 5.0754 5.0754 5.4785 5.4785 5.5961 5.5961 6.1035 6.1035 11.3346 11.3346 11.4860 11.4860 13.4515 13.4515 13.9039 13.9039 15.0660 15.0660 16.3731 16.3731 16.4975 16.4975 k = 0.6049 0.2714-0.2818 ( 3449 PWs) bands (ev): -15.8163 -15.8163 -15.7866 -15.7866 -12.8580 -12.8580 -12.7214 -12.7214 -12.6481 -12.6481 -12.5438 -12.5438 -2.4294 -2.4294 -2.1647 -2.1647 -0.8514 -0.8514 -0.6261 -0.6261 -0.4542 -0.4542 -0.4438 -0.4438 0.1396 0.1396 0.2762 0.2762 1.4526 1.4526 1.5091 1.5091 1.8160 1.8160 1.8930 1.8930 2.1865 2.1865 2.2435 2.2435 2.3052 2.3052 2.3743 2.3743 2.4614 2.4614 2.5942 2.5942 3.8679 3.8679 3.9138 3.9138 4.0593 4.0593 4.2065 4.2065 4.3519 4.3519 5.0153 5.0153 5.0678 5.0678 5.4651 5.4651 5.5773 5.5773 6.0540 6.0540 11.2905 11.2905 11.4279 11.4279 13.4772 13.4772 13.8955 13.8955 15.1344 15.1344 16.3721 16.3721 16.5315 16.5315 k = 0.6007 0.2695-0.2647 ( 3453 PWs) bands (ev): -15.8196 -15.8196 -15.7936 -15.7936 -12.8463 -12.8463 -12.7168 -12.7168 -12.6426 -12.6426 -12.5437 -12.5437 -2.4471 -2.4471 -2.2066 -2.2066 -0.8388 -0.8388 -0.6271 -0.6271 -0.4686 -0.4686 -0.4510 -0.4510 0.1402 0.1402 0.2691 0.2691 1.4707 1.4707 1.5229 1.5229 1.8012 1.8012 1.8857 1.8857 2.1957 2.1957 2.2479 2.2479 2.3108 2.3108 2.3783 2.3783 2.4514 2.4514 2.5882 2.5882 3.9064 3.9064 3.9437 3.9437 4.1130 4.1130 4.2144 4.2144 4.3802 4.3802 5.0288 5.0288 5.0597 5.0597 5.4507 5.4507 5.5582 5.5582 6.0032 6.0032 11.2454 11.2454 11.3690 11.3690 13.5016 13.5016 13.8836 13.8836 15.2074 15.2074 16.3749 16.3749 16.5675 16.5675 k = 0.5965 0.2676-0.2475 ( 3455 PWs) bands (ev): -15.8231 -15.8231 -15.8005 -15.8005 -12.8341 -12.8341 -12.7121 -12.7121 -12.6371 -12.6371 -12.5437 -12.5437 -2.4653 -2.4653 -2.2483 -2.2483 -0.8267 -0.8267 -0.6285 -0.6285 -0.4833 -0.4833 -0.4583 -0.4583 0.1418 0.1418 0.2616 0.2616 1.4883 1.4883 1.5346 1.5346 1.7869 1.7869 1.8772 1.8772 2.2050 2.2050 2.2517 2.2517 2.3172 2.3172 2.3823 2.3823 2.4453 2.4453 2.5832 2.5832 3.9446 3.9446 3.9732 3.9732 4.1643 4.1643 4.2275 4.2275 4.4109 4.4109 5.0406 5.0406 5.0519 5.0519 5.4354 5.4354 5.5392 5.5392 5.9514 5.9514 11.1996 11.1996 11.3099 11.3099 13.5241 13.5241 13.8689 13.8689 15.2844 15.2844 16.3818 16.3818 16.6051 16.6051 k = 0.5923 0.2658-0.2304 ( 3453 PWs) bands (ev): -15.8268 -15.8268 -15.8073 -15.8073 -12.8215 -12.8215 -12.7071 -12.7071 -12.6316 -12.6316 -12.5438 -12.5438 -2.4838 -2.4838 -2.2896 -2.2896 -0.8150 -0.8150 -0.6300 -0.6300 -0.4981 -0.4981 -0.4660 -0.4660 0.1442 0.1442 0.2542 0.2542 1.5052 1.5052 1.5444 1.5444 1.7734 1.7734 1.8676 1.8676 2.2138 2.2138 2.2549 2.2549 2.3242 2.3242 2.3862 2.3862 2.4431 2.4431 2.5790 2.5790 3.9818 3.9818 4.0034 4.0034 4.2055 4.2055 4.2523 4.2523 4.4438 4.4438 5.0413 5.0413 5.0540 5.0540 5.4192 5.4192 5.5203 5.5203 5.8991 5.8991 11.1532 11.1532 11.2508 11.2508 13.5443 13.5443 13.8520 13.8520 15.3650 15.3650 16.3930 16.3930 16.6444 16.6444 k = 0.5881 0.2639-0.2132 ( 3459 PWs) bands (ev): -15.8308 -15.8308 -15.8140 -15.8140 -12.8086 -12.8086 -12.7021 -12.7021 -12.6262 -12.6262 -12.5440 -12.5440 -2.5027 -2.5027 -2.3302 -2.3302 -0.8037 -0.8037 -0.6316 -0.6316 -0.5128 -0.5128 -0.4743 -0.4743 0.1474 0.1474 0.2470 0.2470 1.5210 1.5210 1.5525 1.5525 1.7608 1.7608 1.8571 1.8571 2.2219 2.2219 2.2574 2.2574 2.3317 2.3317 2.3905 2.3905 2.4447 2.4447 2.5756 2.5756 4.0167 4.0167 4.0353 4.0353 4.2310 4.2310 4.2938 4.2938 4.4786 4.4786 5.0337 5.0337 5.0636 5.0636 5.4020 5.4020 5.5018 5.5018 5.8464 5.8464 11.1064 11.1064 11.1922 11.1922 13.5617 13.5617 13.8332 13.8332 15.4486 15.4486 16.4087 16.4087 16.6851 16.6851 k = 0.5839 0.2620-0.1961 ( 3460 PWs) bands (ev): -15.8349 -15.8349 -15.8206 -15.8206 -12.7954 -12.7954 -12.6969 -12.6969 -12.6208 -12.6208 -12.5442 -12.5442 -2.5218 -2.5218 -2.3699 -2.3699 -0.7929 -0.7929 -0.6333 -0.6333 -0.5273 -0.5273 -0.4831 -0.4831 0.1513 0.1513 0.2403 0.2403 1.5354 1.5354 1.5592 1.5592 1.7493 1.7493 1.8458 1.8458 2.2288 2.2288 2.2591 2.2591 2.3395 2.3395 2.3955 2.3955 2.4492 2.4492 2.5729 2.5729 4.0487 4.0487 4.0696 4.0696 4.2508 4.2508 4.3410 4.3410 4.5151 4.5151 5.0265 5.0265 5.0723 5.0723 5.3840 5.3840 5.4839 5.4839 5.7938 5.7938 11.0595 11.0595 11.1341 11.1341 13.5761 13.5761 13.8130 13.8130 15.5349 15.5349 16.4289 16.4289 16.7272 16.7272 k = 0.5797 0.2601-0.1789 ( 3456 PWs) bands (ev): -15.8392 -15.8392 -15.8270 -15.8270 -12.7822 -12.7822 -12.6915 -12.6915 -12.6156 -12.6156 -12.5446 -12.5446 -2.5411 -2.5411 -2.4085 -2.4085 -0.7826 -0.7826 -0.6349 -0.6349 -0.5415 -0.5415 -0.4926 -0.4926 0.1557 0.1557 0.2342 0.2342 1.5479 1.5479 1.5649 1.5649 1.7391 1.7391 1.8341 1.8341 2.2344 2.2344 2.2603 2.2603 2.3478 2.3478 2.4015 2.4015 2.4560 2.4560 2.5707 2.5707 4.0788 4.0788 4.1051 4.1051 4.2709 4.2709 4.3872 4.3872 4.5530 4.5530 5.0208 5.0208 5.0798 5.0798 5.3650 5.3650 5.4665 5.4665 5.7415 5.7415 11.0126 11.0126 11.0770 11.0770 13.5874 13.5874 13.7919 13.7919 15.6237 15.6237 16.4537 16.4537 16.7705 16.7705 k = 0.5755 0.2582-0.1618 ( 3452 PWs) bands (ev): -15.8435 -15.8435 -15.8333 -15.8333 -12.7688 -12.7688 -12.6861 -12.6861 -12.6105 -12.6105 -12.5452 -12.5452 -2.5604 -2.5604 -2.4458 -2.4458 -0.7728 -0.7728 -0.6366 -0.6366 -0.5553 -0.5553 -0.5027 -0.5027 0.1604 0.1604 0.2287 0.2287 1.5580 1.5580 1.5700 1.5700 1.7304 1.7304 1.8222 1.8222 2.2387 2.2387 2.2608 2.2608 2.3568 2.3568 2.4086 2.4086 2.4643 2.4643 2.5690 2.5690 4.1080 4.1080 4.1402 4.1402 4.2924 4.2924 4.4302 4.4302 4.5923 4.5923 5.0175 5.0175 5.0861 5.0861 5.3452 5.3452 5.4499 5.4499 5.6898 5.6898 10.9660 10.9660 11.0211 11.0211 13.5956 13.5956 13.7700 13.7700 15.7147 15.7147 16.4830 16.4830 16.8149 16.8149 k = 0.5713 0.2563-0.1446 ( 3460 PWs) bands (ev): -15.8478 -15.8478 -15.8393 -15.8393 -12.7555 -12.7555 -12.6806 -12.6806 -12.6055 -12.6055 -12.5459 -12.5459 -2.5796 -2.5796 -2.4817 -2.4817 -0.7635 -0.7635 -0.6382 -0.6382 -0.5686 -0.5686 -0.5133 -0.5133 0.1654 0.1654 0.2240 0.2240 1.5652 1.5652 1.5753 1.5753 1.7233 1.7233 1.8102 1.8102 2.2416 2.2416 2.2608 2.2608 2.3664 2.3664 2.4164 2.4164 2.4733 2.4733 2.5677 2.5677 4.1368 4.1368 4.1742 4.1742 4.3158 4.3158 4.4685 4.4685 4.6326 4.6326 5.0172 5.0172 5.0912 5.0912 5.3244 5.3244 5.4339 5.4339 5.6391 5.6391 10.9200 10.9200 10.9666 10.9666 13.6008 13.6008 13.7476 13.7476 15.8076 15.8076 16.5168 16.5168 16.8602 16.8602 k = 0.5671 0.2545-0.1275 ( 3464 PWs) bands (ev): -15.8522 -15.8522 -15.8452 -15.8452 -12.7423 -12.7423 -12.6750 -12.6750 -12.6009 -12.6009 -12.5468 -12.5468 -2.5986 -2.5986 -2.5159 -2.5159 -0.7547 -0.7547 -0.6397 -0.6397 -0.5814 -0.5814 -0.5243 -0.5243 0.1706 0.1706 0.2201 0.2201 1.5696 1.5696 1.5804 1.5804 1.7180 1.7180 1.7984 1.7984 2.2434 2.2434 2.2604 2.2604 2.3767 2.3767 2.4247 2.4247 2.4828 2.4828 2.5667 2.5667 4.1654 4.1654 4.2065 4.2065 4.3408 4.3408 4.5013 4.5013 4.6737 4.6737 5.0209 5.0209 5.0951 5.0951 5.3029 5.3029 5.4186 5.4186 5.5898 5.5898 10.8747 10.8747 10.9137 10.9137 13.6031 13.6031 13.7252 13.7252 15.9023 15.9023 16.5548 16.5548 16.9064 16.9064 k = 0.5630 0.2526-0.1103 ( 3465 PWs) bands (ev): -15.8565 -15.8565 -15.8508 -15.8508 -12.7292 -12.7292 -12.6693 -12.6693 -12.5965 -12.5965 -12.5479 -12.5479 -2.6174 -2.6174 -2.5484 -2.5484 -0.7464 -0.7464 -0.6413 -0.6413 -0.5935 -0.5935 -0.5356 -0.5356 0.1757 0.1757 0.2169 0.2169 1.5724 1.5724 1.5846 1.5846 1.7144 1.7144 1.7872 1.7872 2.2443 2.2443 2.2597 2.2597 2.3877 2.3877 2.4333 2.4333 2.4923 2.4923 2.5659 2.5659 4.1939 4.1939 4.2366 4.2366 4.3675 4.3675 4.5282 4.5282 4.7153 4.7153 5.0290 5.0290 5.0979 5.0979 5.2805 5.2805 5.4039 5.4039 5.5420 5.5420 10.8304 10.8304 10.8626 10.8626 13.6027 13.6027 13.7028 13.7028 15.9986 15.9986 16.5969 16.5969 16.9534 16.9534 k = 0.5588 0.2507-0.0932 ( 3464 PWs) bands (ev): -15.8607 -15.8607 -15.8561 -15.8561 -12.7164 -12.7164 -12.6637 -12.6637 -12.5924 -12.5924 -12.5491 -12.5491 -2.6358 -2.6358 -2.5790 -2.5790 -0.7386 -0.7386 -0.6427 -0.6427 -0.6050 -0.6050 -0.5471 -0.5471 0.1807 0.1807 0.2146 0.2146 1.5743 1.5743 1.5871 1.5871 1.7125 1.7125 1.7768 1.7768 2.2446 2.2446 2.2587 2.2587 2.3991 2.3991 2.4420 2.4420 2.5016 2.5016 2.5653 2.5653 4.2221 4.2221 4.2643 4.2643 4.3955 4.3955 4.5492 4.5492 4.7570 4.7570 5.0416 5.0416 5.0998 5.0998 5.2575 5.2575 5.3899 5.3899 5.4961 5.4961 10.7874 10.7874 10.8136 10.8136 13.5999 13.5999 13.6808 13.6808 16.0963 16.0963 16.6427 16.6427 17.0010 17.0010 k = 0.5546 0.2488-0.0760 ( 3467 PWs) bands (ev): -15.8648 -15.8648 -15.8612 -15.8612 -12.7039 -12.7039 -12.6580 -12.6580 -12.5887 -12.5887 -12.5506 -12.5506 -2.6537 -2.6537 -2.6077 -2.6077 -0.7313 -0.7313 -0.6442 -0.6442 -0.6157 -0.6157 -0.5588 -0.5588 0.1855 0.1855 0.2129 0.2129 1.5755 1.5755 1.5882 1.5882 1.7120 1.7120 1.7671 1.7671 2.2444 2.2444 2.2573 2.2573 2.4109 2.4109 2.4505 2.4505 2.5105 2.5105 2.5647 2.5647 4.2497 4.2497 4.2893 4.2893 4.4248 4.4248 4.5651 4.5651 4.7983 4.7983 5.0580 5.0580 5.1008 5.1008 5.2339 5.2339 5.3764 5.3764 5.4524 5.4524 10.7458 10.7458 10.7669 10.7669 13.5950 13.5950 13.6594 13.6594 16.1954 16.1954 16.6920 16.6920 17.0490 17.0490 k = 0.5504 0.2469-0.0589 ( 3467 PWs) bands (ev): -15.8687 -15.8687 -15.8659 -15.8659 -12.6917 -12.6917 -12.6522 -12.6522 -12.5854 -12.5854 -12.5523 -12.5523 -2.6709 -2.6709 -2.6344 -2.6344 -0.7244 -0.7244 -0.6458 -0.6458 -0.6255 -0.6255 -0.5703 -0.5703 0.1901 0.1901 0.2119 0.2119 1.5764 1.5764 1.5881 1.5881 1.7127 1.7127 1.7585 1.7585 2.2439 2.2439 2.2558 2.2558 2.4228 2.4228 2.4588 2.4588 2.5187 2.5187 2.5642 2.5642 4.2763 4.2763 4.3114 4.3114 4.4550 4.4550 4.5771 4.5771 4.8386 4.8386 5.0767 5.0767 5.1018 5.1018 5.2101 5.2101 5.3633 5.3633 5.4112 5.4112 10.7060 10.7060 10.7226 10.7226 13.5885 13.5885 13.6387 13.6387 16.2956 16.2956 16.7444 16.7444 17.0974 17.0974 k = 0.5462 0.2450-0.0417 ( 3466 PWs) bands (ev): -15.8725 -15.8725 -15.8703 -15.8703 -12.6799 -12.6799 -12.6466 -12.6466 -12.5825 -12.5825 -12.5541 -12.5541 -2.6874 -2.6874 -2.6590 -2.6590 -0.7179 -0.7179 -0.6475 -0.6475 -0.6342 -0.6342 -0.5817 -0.5817 0.1943 0.1943 0.2114 0.2114 1.5769 1.5769 1.5870 1.5870 1.7140 1.7140 1.7509 1.7509 2.2431 2.2431 2.2541 2.2541 2.4347 2.4347 2.4669 2.4669 2.5263 2.5263 2.5635 2.5635 4.3011 4.3011 4.3305 4.3305 4.4860 4.4860 4.5870 4.5870 4.8772 4.8772 5.0908 5.0908 5.1082 5.1082 5.1866 5.1866 5.3504 5.3504 5.3731 5.3731 10.6681 10.6681 10.6809 10.6809 13.5807 13.5807 13.6190 13.6190 16.3968 16.3968 16.7997 16.7997 17.1461 17.1461 k = 0.5420 0.2432-0.0246 ( 3474 PWs) bands (ev): -15.8760 -15.8760 -15.8744 -15.8744 -12.6686 -12.6686 -12.6409 -12.6409 -12.5801 -12.5801 -12.5562 -12.5562 -2.7030 -2.7030 -2.6815 -2.6815 -0.7118 -0.7118 -0.6498 -0.6498 -0.6415 -0.6415 -0.5928 -0.5928 0.1981 0.1981 0.2114 0.2114 1.5770 1.5770 1.5854 1.5854 1.7157 1.7157 1.7445 1.7445 2.2422 2.2422 2.2523 2.2523 2.4464 2.4464 2.4745 2.4745 2.5330 2.5330 2.5627 2.5627 4.3233 4.3233 4.3467 4.3467 4.5176 4.5176 4.5966 4.5966 4.9126 4.9126 5.0909 5.0909 5.1272 5.1272 5.1648 5.1648 5.3343 5.3343 5.3419 5.3419 10.6325 10.6325 10.6421 10.6421 13.5719 13.5719 13.6005 13.6005 16.4990 16.4990 16.8575 16.8575 17.1948 17.1948 k = 0.5378 0.2413-0.0074 ( 3473 PWs) bands (ev): -15.8793 -15.8793 -15.8782 -15.8782 -12.6578 -12.6578 -12.6353 -12.6353 -12.5783 -12.5783 -12.5586 -12.5586 -2.7176 -2.7176 -2.7018 -2.7018 -0.7061 -0.7061 -0.6537 -0.6537 -0.6464 -0.6464 -0.6035 -0.6035 0.2016 0.2016 0.2118 0.2118 1.5769 1.5769 1.5834 1.5834 1.7176 1.7176 1.7393 1.7393 2.2412 2.2412 2.2504 2.2504 2.4579 2.4579 2.4818 2.4818 2.5387 2.5387 2.5618 2.5618 4.3420 4.3420 4.3603 4.3603 4.5497 4.5497 4.6079 4.6079 4.9434 4.9434 5.0838 5.0838 5.1452 5.1452 5.1517 5.1517 5.3054 5.3054 5.3277 5.3277 10.5993 10.5993 10.6064 10.6064 13.5626 13.5626 13.5833 13.5833 16.6019 16.6019 16.9174 16.9174 17.2434 17.2434 k = 0.5336 0.2394 0.0098 ( 3475 PWs) bands (ev): -15.8823 -15.8823 -15.8815 -15.8815 -12.6476 -12.6476 -12.6297 -12.6297 -12.5769 -12.5769 -12.5611 -12.5611 -2.7311 -2.7311 -2.7200 -2.7200 -0.7008 -0.7008 -0.6587 -0.6587 -0.6492 -0.6492 -0.6137 -0.6137 0.2047 0.2047 0.2124 0.2124 1.5766 1.5766 1.5813 1.5813 1.7195 1.7195 1.7352 1.7352 2.2403 2.2403 2.2485 2.2485 2.4690 2.4690 2.4888 2.4888 2.5435 2.5435 2.5606 2.5606 4.3565 4.3565 4.3713 4.3713 4.5822 4.5822 4.6222 4.6222 4.9669 4.9669 5.0693 5.0693 5.1384 5.1384 5.1713 5.1713 5.2790 5.2790 5.3159 5.3159 10.5689 10.5689 10.5739 10.5739 13.5530 13.5530 13.5675 13.5675 16.7056 16.7056 16.9792 16.9792 17.2917 17.2917 k = 0.5294 0.2375 0.0269 ( 3474 PWs) bands (ev): -15.8851 -15.8851 -15.8845 -15.8845 -12.6380 -12.6380 -12.6243 -12.6243 -12.5762 -12.5762 -12.5639 -12.5639 -2.7434 -2.7434 -2.7359 -2.7359 -0.6958 -0.6958 -0.6635 -0.6635 -0.6513 -0.6513 -0.6234 -0.6234 0.2073 0.2073 0.2132 0.2132 1.5760 1.5760 1.5794 1.5794 1.7213 1.7213 1.7321 1.7321 2.2393 2.2393 2.2467 2.2467 2.4796 2.4796 2.4953 2.4953 2.5472 2.5472 2.5593 2.5593 4.3670 4.3670 4.3798 4.3798 4.6149 4.6149 4.6404 4.6404 4.9802 4.9802 5.0480 5.0480 5.1403 5.1403 5.1908 5.1908 5.2578 5.2578 5.3046 5.3046 10.5414 10.5414 10.5447 10.5447 13.5437 13.5437 13.5534 13.5534 16.8097 16.8097 17.0423 17.0423 17.3397 17.3397 k = 0.5252 0.2356 0.0441 ( 3475 PWs) bands (ev): -15.8875 -15.8875 -15.8871 -15.8871 -12.6290 -12.6290 -12.6189 -12.6189 -12.5761 -12.5761 -12.5669 -12.5669 -2.7544 -2.7544 -2.7496 -2.7496 -0.6911 -0.6911 -0.6675 -0.6675 -0.6532 -0.6532 -0.6323 -0.6323 0.2096 0.2096 0.2141 0.2141 1.5754 1.5754 1.5775 1.5775 1.7228 1.7228 1.7300 1.7300 2.2385 2.2385 2.2449 2.2449 2.4895 2.4895 2.5014 2.5014 2.5499 2.5499 2.5577 2.5577 4.3741 4.3741 4.3856 4.3856 4.6477 4.6477 4.6626 4.6626 4.9816 4.9816 5.0226 5.0226 5.1507 5.1507 5.2075 5.2075 5.2425 5.2425 5.2936 5.2936 10.5171 10.5171 10.5192 10.5192 13.5348 13.5348 13.5410 13.5410 16.9141 16.9141 17.1065 17.1065 17.3870 17.3870 k = 0.5210 0.2337 0.0612 ( 3467 PWs) bands (ev): -15.8895 -15.8895 -15.8893 -15.8893 -12.6206 -12.6206 -12.6136 -12.6136 -12.5766 -12.5766 -12.5701 -12.5701 -2.7640 -2.7640 -2.7611 -2.7611 -0.6867 -0.6867 -0.6705 -0.6705 -0.6551 -0.6551 -0.6405 -0.6405 0.2115 0.2115 0.2150 0.2150 1.5747 1.5747 1.5759 1.5759 1.7241 1.7241 1.7286 1.7286 2.2378 2.2378 2.2432 2.2432 2.4987 2.4987 2.5070 2.5070 2.5516 2.5516 2.5561 2.5561 4.3788 4.3788 4.3889 4.3889 4.6805 4.6805 4.6884 4.6884 4.9723 4.9723 4.9951 4.9951 5.1663 5.1663 5.2196 5.2196 5.2344 5.2344 5.2831 5.2831 10.4961 10.4961 10.4973 10.4973 13.5267 13.5267 13.5304 13.5304 17.0184 17.0184 17.1714 17.1714 17.4335 17.4335 k = 0.5168 0.2319 0.0784 ( 3465 PWs) bands (ev): -15.8913 -15.8913 -15.8912 -15.8912 -12.6130 -12.6130 -12.6085 -12.6085 -12.5778 -12.5778 -12.5736 -12.5736 -2.7720 -2.7720 -2.7705 -2.7705 -0.6827 -0.6827 -0.6725 -0.6725 -0.6571 -0.6571 -0.6478 -0.6478 0.2131 0.2131 0.2157 0.2157 1.5739 1.5739 1.5746 1.5746 1.7251 1.7251 1.7279 1.7279 2.2373 2.2373 2.2417 2.2417 2.5069 2.5069 2.5122 2.5122 2.5520 2.5520 2.5545 2.5545 4.3819 4.3819 4.3904 4.3904 4.7132 4.7132 4.7170 4.7170 4.9546 4.9546 4.9662 4.9662 5.1837 5.1837 5.2224 5.2224 5.2371 5.2371 5.2729 5.2729 10.4786 10.4786 10.4793 10.4793 13.5196 13.5196 13.5217 13.5217 17.1222 17.1222 17.2364 17.2364 17.4788 17.4788 k = 0.5126 0.2300 0.0955 ( 3465 PWs) bands (ev): -15.8926 -15.8926 -15.8926 -15.8926 -12.6061 -12.6061 -12.6035 -12.6035 -12.5797 -12.5797 -12.5773 -12.5773 -2.7784 -2.7784 -2.7777 -2.7777 -0.6790 -0.6790 -0.6735 -0.6735 -0.6593 -0.6593 -0.6541 -0.6541 0.2144 0.2144 0.2163 0.2163 1.5733 1.5733 1.5736 1.5736 1.7257 1.7257 1.7275 1.7275 2.2370 2.2370 2.2403 2.2403 2.5139 2.5139 2.5167 2.5167 2.5513 2.5513 2.5533 2.5533 4.3839 4.3839 4.3905 4.3905 4.7457 4.7457 4.7476 4.7476 4.9313 4.9313 4.9365 4.9365 5.2006 5.2006 5.2224 5.2224 5.2428 5.2428 5.2634 5.2634 10.4648 10.4648 10.4651 10.4651 13.5138 13.5138 13.5149 13.5149 17.2240 17.2240 17.3008 17.3008 17.5224 17.5224 k = 0.5084 0.2281 0.1127 ( 3463 PWs) bands (ev): -15.8936 -15.8936 -15.8936 -15.8936 -12.5998 -12.5998 -12.5987 -12.5987 -12.5822 -12.5822 -12.5811 -12.5811 -2.7830 -2.7830 -2.7827 -2.7827 -0.6758 -0.6758 -0.6735 -0.6735 -0.6614 -0.6614 -0.6593 -0.6593 0.2154 0.2154 0.2166 0.2166 1.5728 1.5728 1.5728 1.5728 1.7262 1.7262 1.7274 1.7274 2.2370 2.2370 2.2392 2.2392 2.5194 2.5194 2.5204 2.5204 2.5502 2.5502 2.5521 2.5521 4.3854 4.3854 4.3899 4.3899 4.7780 4.7780 4.7791 4.7791 4.9043 4.9043 4.9062 4.9062 5.2152 5.2152 5.2243 5.2243 5.2459 5.2459 5.2547 5.2547 10.4549 10.4549 10.4550 10.4550 13.5094 13.5094 13.5101 13.5101 17.3209 17.3209 17.3630 17.3630 17.5630 17.5630 k = 0.5042 0.2262 0.1298 ( 3455 PWs) bands (ev): -15.8942 -15.8942 -15.8942 -15.8942 -12.5944 -12.5944 -12.5941 -12.5941 -12.5855 -12.5855 -12.5852 -12.5852 -2.7859 -2.7859 -2.7857 -2.7857 -0.6732 -0.6732 -0.6728 -0.6728 -0.6634 -0.6634 -0.6630 -0.6630 0.2161 0.2161 0.2167 0.2167 1.5724 1.5724 1.5725 1.5725 1.7267 1.7267 1.7272 1.7272 2.2372 2.2372 2.2383 2.2383 2.5230 2.5230 2.5231 2.5231 2.5495 2.5495 2.5508 2.5508 4.3866 4.3866 4.3889 4.3889 4.8101 4.8101 4.8105 4.8105 4.8750 4.8750 4.8757 4.8757 5.2259 5.2259 5.2278 5.2278 5.2459 5.2459 5.2476 5.2476 10.4489 10.4489 10.4489 10.4489 13.5068 13.5068 13.5071 13.5071 17.4024 17.4024 17.4186 17.4186 17.5954 17.5954 k = 0.5000 0.2243 0.1470 ( 3452 PWs) bands (ev): -15.8944 -15.8944 -15.8944 -15.8944 -12.5902 -12.5902 -12.5902 -12.5902 -12.5889 -12.5889 -12.5889 -12.5889 -2.7868 -2.7868 -2.7868 -2.7868 -0.6722 -0.6722 -0.6722 -0.6722 -0.6644 -0.6644 -0.6644 -0.6644 0.2166 0.2166 0.2166 0.2166 1.5723 1.5723 1.5723 1.5723 1.7270 1.7270 1.7270 1.7270 2.2376 2.2376 2.2376 2.2376 2.5242 2.5242 2.5242 2.5242 2.5498 2.5498 2.5498 2.5498 4.3878 4.3878 4.3878 4.3878 4.8356 4.8356 4.8356 4.8356 4.8506 4.8506 4.8506 4.8506 5.2301 5.2301 5.2301 5.2301 5.2447 5.2447 5.2447 5.2447 10.4469 10.4469 10.4469 10.4469 13.5061 13.5061 13.5061 13.5061 17.4424 17.4424 17.4424 17.4424 17.6076 17.6076 k = 0.5000-0.4451-0.2916 ( 3444 PWs) bands (ev): -15.7675 -15.7675 -15.7675 -15.7675 -12.8086 -12.8086 -12.8086 -12.8086 -12.6517 -12.6517 -12.6517 -12.6517 -2.0460 -2.0460 -2.0460 -2.0460 -0.8217 -0.8217 -0.8217 -0.8217 -0.3412 -0.3412 -0.3412 -0.3412 0.1005 0.1005 0.1005 0.1005 1.5890 1.5890 1.5890 1.5890 1.8566 1.8566 1.8566 1.8566 2.1905 2.1905 2.1905 2.1905 2.3187 2.3187 2.3187 2.3187 2.5846 2.5846 2.5846 2.5846 3.0866 3.0866 3.0866 3.0866 4.0045 4.0045 4.0046 4.0046 4.9042 4.9042 4.9042 4.9042 5.4056 5.4056 5.4056 5.4056 6.1700 6.1700 6.1700 6.1700 11.6136 11.6136 11.6137 11.6137 13.2481 13.2481 13.2481 13.2481 16.0543 16.0543 16.0543 16.0543 17.3093 17.3093 k = 0.5130-0.4349-0.2849 ( 3442 PWs) bands (ev): -15.7685 -15.7685 -15.7664 -15.7664 -12.8160 -12.8160 -12.8013 -12.8013 -12.6574 -12.6574 -12.6460 -12.6460 -2.0611 -2.0611 -2.0310 -2.0310 -0.8348 -0.8348 -0.8077 -0.8077 -0.3615 -0.3615 -0.3210 -0.3210 0.0924 0.0924 0.1085 0.1085 1.5704 1.5704 1.6075 1.6075 1.8470 1.8470 1.8655 1.8655 2.1830 2.1830 2.1973 2.1973 2.3107 2.3107 2.3266 2.3266 2.5803 2.5803 2.5895 2.5895 3.0855 3.0855 3.0901 3.0901 3.9892 3.9892 4.0201 4.0201 4.8871 4.8871 4.9193 4.9193 5.3923 5.3923 5.4182 5.4182 6.1531 6.1531 6.1865 6.1865 11.6020 11.6020 11.6265 11.6265 13.2300 13.2300 13.2674 13.2674 16.0201 16.0201 16.0843 16.0843 17.2448 17.2448 k = 0.5259-0.4247-0.2782 ( 3437 PWs) bands (ev): -15.7695 -15.7695 -15.7653 -15.7653 -12.8234 -12.8234 -12.7940 -12.7940 -12.6630 -12.6630 -12.6403 -12.6403 -2.0761 -2.0761 -2.0160 -2.0160 -0.8472 -0.8472 -0.7929 -0.7929 -0.3817 -0.3817 -0.3012 -0.3012 0.0846 0.0846 0.1163 0.1163 1.5521 1.5521 1.6258 1.6258 1.8369 1.8369 1.8735 1.8735 2.1750 2.1750 2.2032 2.2032 2.3031 2.3031 2.3341 2.3341 2.5768 2.5768 2.5949 2.5949 3.0868 3.0868 3.0958 3.0958 3.9741 3.9741 4.0356 4.0356 4.8682 4.8682 4.9324 4.9324 5.3785 5.3785 5.4302 5.4302 6.1356 6.1356 6.2025 6.2025 11.5916 11.5916 11.6403 11.6403 13.2131 13.2131 13.2879 13.2879 15.9815 15.9815 16.1105 16.1105 17.1828 17.1828 k = 0.5389-0.4145-0.2715 ( 3440 PWs) bands (ev): -15.7705 -15.7705 -15.7642 -15.7642 -12.8308 -12.8308 -12.7868 -12.7868 -12.6686 -12.6686 -12.6346 -12.6346 -2.0911 -2.0911 -2.0012 -2.0012 -0.8588 -0.8588 -0.7773 -0.7773 -0.4016 -0.4016 -0.2822 -0.2822 0.0774 0.0774 0.1239 0.1239 1.5342 1.5342 1.6430 1.6430 1.8265 1.8265 1.8808 1.8808 2.1663 2.1663 2.2083 2.2083 2.2961 2.2961 2.3407 2.3407 2.5741 2.5741 2.6005 2.6005 3.0905 3.0905 3.1036 3.1036 3.9593 3.9593 4.0512 4.0512 4.8475 4.8475 4.9436 4.9436 5.3642 5.3642 5.4415 5.4415 6.1178 6.1178 6.2181 6.2181 11.5824 11.5824 11.6550 11.6550 13.1977 13.1977 13.3094 13.3094 15.9386 15.9386 16.1333 16.1333 17.1231 17.1231 k = 0.5519-0.4043-0.2649 ( 3440 PWs) bands (ev): -15.7716 -15.7716 -15.7630 -15.7630 -12.8382 -12.8382 -12.7798 -12.7798 -12.6742 -12.6742 -12.6289 -12.6289 -2.1059 -2.1059 -1.9867 -1.9867 -0.8696 -0.8696 -0.7610 -0.7610 -0.4211 -0.4211 -0.2642 -0.2642 0.0711 0.0711 0.1310 0.1310 1.5168 1.5168 1.6583 1.6583 1.8169 1.8169 1.8874 1.8874 2.1571 2.1571 2.2124 2.2124 2.2901 2.2901 2.3461 2.3461 2.5725 2.5725 2.6063 2.6063 3.0967 3.0967 3.1135 3.1135 3.9449 3.9449 4.0666 4.0666 4.8249 4.8249 4.9528 4.9528 5.3495 5.3495 5.4521 5.4521 6.0994 6.0994 6.2332 6.2332 11.5747 11.5747 11.6704 11.6704 13.1837 13.1837 13.3319 13.3319 15.8914 15.8914 16.1531 16.1531 17.0658 17.0658 k = 0.5649-0.3941-0.2582 ( 3438 PWs) bands (ev): -15.7726 -15.7726 -15.7618 -15.7618 -12.8455 -12.8455 -12.7729 -12.7729 -12.6797 -12.6797 -12.6233 -12.6233 -2.1205 -2.1205 -1.9725 -1.9725 -0.8796 -0.8796 -0.7439 -0.7439 -0.4400 -0.4400 -0.2479 -0.2479 0.0662 0.0662 0.1376 0.1376 1.5000 1.5000 1.6699 1.6699 1.8094 1.8094 1.8936 1.8936 2.1475 2.1475 2.2154 2.2154 2.2854 2.2854 2.3501 2.3501 2.5719 2.5719 2.6122 2.6122 3.1053 3.1053 3.1255 3.1255 3.9309 3.9309 4.0817 4.0817 4.8007 4.8007 4.9601 4.9601 5.3345 5.3345 5.4620 5.4620 6.0805 6.0805 6.2478 6.2478 11.5684 11.5684 11.6864 11.6864 13.1713 13.1713 13.3553 13.3553 15.8401 15.8401 16.1705 16.1705 17.0105 17.0105 k = 0.5778-0.3839-0.2515 ( 3436 PWs) bands (ev): -15.7737 -15.7737 -15.7604 -15.7604 -12.8527 -12.8527 -12.7661 -12.7661 -12.6851 -12.6851 -12.6178 -12.6178 -2.1348 -2.1348 -1.9586 -1.9586 -0.8889 -0.8889 -0.7261 -0.7261 -0.4582 -0.4582 -0.2338 -0.2338 0.0632 0.0632 0.1436 0.1436 1.4838 1.4838 1.6757 1.6757 1.8061 1.8061 1.8995 1.8995 2.1377 2.1377 2.2174 2.2174 2.2820 2.2820 2.3526 2.3526 2.5725 2.5725 2.6183 2.6183 3.1163 3.1163 3.1394 3.1394 3.9174 3.9174 4.0964 4.0964 4.7749 4.7749 4.9655 4.9655 5.3191 5.3191 5.4712 5.4712 6.0612 6.0612 6.2620 6.2620 11.5636 11.5636 11.7028 11.7028 13.1605 13.1605 13.3796 13.3796 15.7851 15.7851 16.1860 16.1860 16.9570 16.9570 k = 0.5908-0.3737-0.2448 ( 3440 PWs) bands (ev): -15.7749 -15.7749 -15.7590 -15.7590 -12.8598 -12.8598 -12.7595 -12.7595 -12.6905 -12.6905 -12.6123 -12.6123 -2.1488 -2.1488 -1.9452 -1.9452 -0.8975 -0.8975 -0.7077 -0.7077 -0.4756 -0.4756 -0.2226 -0.2226 0.0628 0.0628 0.1491 0.1491 1.4680 1.4680 1.6739 1.6739 1.8087 1.8087 1.9053 1.9053 2.1277 2.1277 2.2185 2.2185 2.2798 2.2798 2.3536 2.3536 2.5740 2.5740 2.6244 2.6244 3.1296 3.1296 3.1553 3.1553 3.9044 3.9044 4.1105 4.1105 4.7475 4.7475 4.9690 4.9690 5.3036 5.3036 5.4797 5.4797 6.0414 6.0414 6.2758 6.2758 11.5602 11.5602 11.7193 11.7193 13.1516 13.1516 13.4046 13.4046 15.7267 15.7267 16.2002 16.2002 16.9051 16.9051 k = 0.6038-0.3635-0.2381 ( 3448 PWs) bands (ev): -15.7761 -15.7761 -15.7575 -15.7575 -12.8667 -12.8667 -12.7532 -12.7532 -12.6957 -12.6957 -12.6069 -12.6069 -2.1625 -2.1625 -1.9323 -1.9323 -0.9055 -0.9055 -0.6886 -0.6886 -0.4921 -0.4921 -0.2146 -0.2146 0.0655 0.0655 0.1540 0.1540 1.4528 1.4528 1.6647 1.6647 1.8168 1.8168 1.9112 1.9112 2.1177 2.1177 2.2189 2.2189 2.2787 2.2787 2.3532 2.3532 2.5763 2.5763 2.6305 2.6305 3.1450 3.1450 3.1730 3.1730 3.8918 3.8918 4.1240 4.1240 4.7188 4.7188 4.9707 4.9707 5.2881 5.2881 5.4876 5.4876 6.0212 6.0212 6.2891 6.2891 11.5582 11.5582 11.7357 11.7357 13.1445 13.1445 13.4303 13.4303 15.6654 15.6654 16.2135 16.2135 16.8547 16.8547 k = 0.6167-0.3533-0.2315 ( 3454 PWs) bands (ev): -15.7774 -15.7774 -15.7560 -15.7560 -12.8735 -12.8735 -12.7470 -12.7470 -12.7008 -12.7008 -12.6015 -12.6015 -2.1758 -2.1758 -1.9201 -1.9201 -0.9128 -0.9128 -0.6692 -0.6692 -0.5075 -0.5075 -0.2104 -0.2104 0.0715 0.0715 0.1583 0.1583 1.4382 1.4382 1.6496 1.6496 1.8284 1.8284 1.9174 1.9174 2.1081 2.1081 2.2187 2.2187 2.2784 2.2784 2.3518 2.3518 2.5793 2.5793 2.6368 2.6368 3.1624 3.1624 3.1926 3.1926 3.8798 3.8798 4.1367 4.1367 4.6889 4.6889 4.9706 4.9706 5.2725 5.2725 5.4948 5.4948 6.0005 6.0005 6.3019 6.3019 11.5577 11.5577 11.7519 11.7519 13.1395 13.1395 13.4567 13.4567 15.6016 15.6016 16.2265 16.2265 16.8055 16.8055 k = 0.6297-0.3431-0.2248 ( 3451 PWs) bands (ev): -15.7788 -15.7788 -15.7543 -15.7543 -12.8800 -12.8800 -12.7410 -12.7410 -12.7058 -12.7058 -12.5963 -12.5963 -2.1886 -2.1886 -1.9085 -1.9085 -0.9195 -0.9195 -0.6496 -0.6496 -0.5215 -0.5215 -0.2099 -0.2099 0.0809 0.0809 0.1621 0.1621 1.4241 1.4241 1.6306 1.6306 1.8415 1.8415 1.9241 1.9241 2.0991 2.0991 2.2183 2.2183 2.2787 2.2787 2.3496 2.3496 2.5827 2.5827 2.6431 2.6431 3.1816 3.1816 3.2139 3.2139 3.8683 3.8683 4.1484 4.1484 4.6579 4.6579 4.9690 4.9690 5.2570 5.2570 5.5014 5.5014 5.9795 5.9795 6.3143 6.3143 11.5585 11.5585 11.7677 11.7677 13.1365 13.1365 13.4836 13.4836 15.5357 15.5357 16.2396 16.2396 16.7576 16.7576 k = 0.6427-0.3329-0.2181 ( 3454 PWs) bands (ev): -15.7803 -15.7803 -15.7525 -15.7525 -12.8863 -12.8863 -12.7353 -12.7353 -12.7107 -12.7107 -12.5912 -12.5912 -2.2010 -2.2010 -1.8977 -1.8977 -0.9256 -0.9256 -0.6303 -0.6303 -0.5337 -0.5337 -0.2129 -0.2129 0.0932 0.0932 0.1653 0.1653 1.4103 1.4103 1.6090 1.6090 1.8545 1.8545 1.9311 1.9311 2.0912 2.0912 2.2178 2.2178 2.2792 2.2792 2.3470 2.3470 2.5865 2.5865 2.6495 2.6495 3.2025 3.2025 3.2369 3.2369 3.8572 3.8572 4.1592 4.1592 4.6259 4.6259 4.9657 4.9657 5.2418 5.2418 5.5075 5.5075 5.9580 5.9580 6.3262 6.3262 11.5606 11.5606 11.7827 11.7827 13.1359 13.1359 13.5110 13.5110 15.4681 15.4681 16.2531 16.2531 16.7108 16.7108 k = 0.6557-0.3227-0.2114 ( 3450 PWs) bands (ev): -15.7819 -15.7819 -15.7506 -15.7506 -12.8923 -12.8923 -12.7298 -12.7298 -12.7154 -12.7154 -12.5863 -12.5863 -2.2129 -2.2129 -1.8877 -1.8877 -0.9313 -0.9313 -0.6125 -0.6125 -0.5429 -0.5429 -0.2190 -0.2190 0.1081 0.1081 0.1680 0.1680 1.3970 1.3970 1.5858 1.5858 1.8665 1.8665 1.9382 1.9382 2.0852 2.0852 2.2172 2.2172 2.2800 2.2800 2.3443 2.3443 2.5903 2.5903 2.6560 2.6560 3.2248 3.2248 3.2615 3.2615 3.8467 3.8467 4.1688 4.1688 4.5932 4.5932 4.9610 4.9610 5.2268 5.2268 5.5131 5.5131 5.9361 5.9361 6.3377 6.3377 11.5638 11.5638 11.7969 11.7969 13.1376 13.1376 13.5387 13.5387 15.3994 15.3994 16.2674 16.2674 16.6653 16.6653 k = 0.6686-0.3125-0.2047 ( 3450 PWs) bands (ev): -15.7837 -15.7837 -15.7486 -15.7486 -12.8980 -12.8980 -12.7246 -12.7246 -12.7199 -12.7199 -12.5814 -12.5814 -2.2243 -2.2243 -1.8785 -1.8785 -0.9365 -0.9365 -0.5994 -0.5994 -0.5458 -0.5458 -0.2275 -0.2275 0.1249 0.1249 0.1703 0.1703 1.3841 1.3841 1.5614 1.5614 1.8770 1.8770 1.9447 1.9447 2.0815 2.0815 2.2166 2.2166 2.2807 2.2807 2.3418 2.3418 2.5943 2.5943 2.6625 2.6625 3.2484 3.2484 3.2875 3.2875 3.8366 3.8366 4.1771 4.1771 4.5599 4.5599 4.9550 4.9550 5.2123 5.2123 5.5182 5.5182 5.9140 5.9140 6.3486 6.3486 11.5681 11.5681 11.8099 11.8099 13.1418 13.1418 13.5665 13.5665 15.3299 15.3299 16.2828 16.2828 16.6210 16.6210 k = 0.6816-0.3023-0.1981 ( 3452 PWs) bands (ev): -15.7856 -15.7856 -15.7465 -15.7465 -12.9034 -12.9034 -12.7244 -12.7244 -12.7195 -12.7195 -12.5767 -12.5767 -2.2350 -2.2350 -1.8704 -1.8704 -0.9413 -0.9413 -0.5956 -0.5956 -0.5382 -0.5382 -0.2380 -0.2380 0.1428 0.1428 0.1724 0.1724 1.3714 1.3714 1.5363 1.5363 1.8859 1.8859 1.9495 1.9495 2.0810 2.0810 2.2159 2.2159 2.2814 2.2814 2.3397 2.3397 2.5983 2.5983 2.6692 2.6692 3.2732 3.2732 3.3146 3.3146 3.8269 3.8269 4.1842 4.1842 4.5262 4.5262 4.9477 4.9477 5.1982 5.1982 5.5231 5.5231 5.8915 5.8915 6.3590 6.3590 11.5734 11.5734 11.8217 11.8217 13.1485 13.1485 13.5944 13.5944 15.2601 15.2601 16.2994 16.2994 16.5781 16.5781 k = 0.6946-0.2921-0.1914 ( 3446 PWs) bands (ev): -15.7876 -15.7876 -15.7443 -15.7443 -12.9084 -12.9084 -12.7286 -12.7286 -12.7148 -12.7148 -12.5722 -12.5722 -2.2452 -2.2452 -1.8632 -1.8632 -0.9457 -0.9457 -0.5991 -0.5991 -0.5219 -0.5219 -0.2500 -0.2500 0.1607 0.1607 0.1749 0.1749 1.3590 1.3590 1.5111 1.5111 1.8934 1.8934 1.9521 1.9521 2.0840 2.0840 2.2153 2.2153 2.2821 2.2821 2.3382 2.3382 2.6024 2.6024 2.6759 2.6759 3.2990 3.2990 3.3426 3.3426 3.8177 3.8177 4.1900 4.1900 4.4924 4.4924 4.9393 4.9393 5.1847 5.1847 5.5276 5.5276 5.8688 5.8688 6.3689 6.3689 11.5794 11.5794 11.8320 11.8320 13.1579 13.1579 13.6221 13.6221 15.1903 15.1903 16.3175 16.3175 16.5367 16.5367 k = 0.7076-0.2819-0.1847 ( 3440 PWs) bands (ev): -15.7899 -15.7899 -15.7419 -15.7419 -12.9130 -12.9130 -12.7326 -12.7326 -12.7104 -12.7104 -12.5678 -12.5678 -2.2548 -2.2548 -1.8571 -1.8571 -0.9498 -0.9498 -0.6052 -0.6052 -0.5017 -0.5017 -0.2632 -0.2632 0.1717 0.1717 0.1841 0.1841 1.3469 1.3469 1.4861 1.4861 1.8994 1.8994 1.9525 1.9525 2.0902 2.0902 2.2147 2.2147 2.2828 2.2828 2.3376 2.3376 2.6065 2.6065 2.6827 2.6827 3.3256 3.3256 3.3712 3.3712 3.8089 3.8089 4.1945 4.1945 4.4587 4.4587 4.9299 4.9299 5.1718 5.1718 5.5318 5.5318 5.8460 5.8460 6.3783 6.3783 11.5861 11.5861 11.8407 11.8407 13.1700 13.1700 13.6493 13.6493 15.1211 15.1211 16.3371 16.3371 16.4971 16.4971 k = 0.7205-0.2717-0.1780 ( 3434 PWs) bands (ev): -15.7923 -15.7923 -15.7395 -15.7395 -12.9172 -12.9172 -12.7364 -12.7364 -12.7063 -12.7063 -12.5636 -12.5636 -2.2638 -2.2638 -1.8520 -1.8520 -0.9537 -0.9537 -0.6118 -0.6118 -0.4799 -0.4799 -0.2772 -0.2772 0.1740 0.1740 0.2015 0.2015 1.3350 1.3350 1.4614 1.4614 1.9041 1.9041 1.9514 1.9514 2.0987 2.0987 2.2140 2.2140 2.2835 2.2835 2.3378 2.3378 2.6108 2.6108 2.6896 2.6896 3.3530 3.3530 3.4001 3.4001 3.8005 3.8005 4.1977 4.1977 4.4254 4.4254 4.9196 4.9196 5.1596 5.1596 5.5358 5.5358 5.8230 5.8230 6.3871 6.3871 11.5933 11.5933 11.8478 11.8478 13.1847 13.1847 13.6758 13.6758 15.0529 15.0529 16.3583 16.3583 16.4596 16.4596 k = 0.7335-0.2615-0.1713 ( 3434 PWs) bands (ev): -15.7949 -15.7949 -15.7370 -15.7370 -12.9210 -12.9210 -12.7401 -12.7401 -12.7024 -12.7024 -12.5596 -12.5596 -2.2721 -2.2721 -1.8480 -1.8480 -0.9574 -0.9574 -0.6181 -0.6181 -0.4574 -0.4574 -0.2918 -0.2918 0.1750 0.1750 0.2194 0.2194 1.3233 1.3233 1.4376 1.4376 1.9067 1.9067 1.9503 1.9503 2.1085 2.1085 2.2133 2.2133 2.2843 2.2843 2.3390 2.3390 2.6151 2.6151 2.6967 2.6967 3.3808 3.3808 3.4289 3.4289 3.7927 3.7927 4.1996 4.1996 4.3929 4.3929 4.9086 4.9086 5.1481 5.1481 5.5396 5.5396 5.8000 5.8000 6.3954 6.3954 11.6009 11.6009 11.8531 11.8531 13.2022 13.2022 13.7010 13.7010 14.9864 14.9864 16.3799 16.3799 16.4255 16.4255 k = 0.7465-0.2513-0.1647 ( 3436 PWs) bands (ev): -15.7977 -15.7977 -15.7343 -15.7343 -12.9243 -12.9243 -12.7435 -12.7435 -12.6989 -12.6989 -12.5557 -12.5557 -2.2798 -2.2798 -1.8452 -1.8452 -0.9609 -0.9609 -0.6238 -0.6238 -0.4346 -0.4346 -0.3068 -0.3068 0.1756 0.1756 0.2363 0.2363 1.3118 1.3118 1.4148 1.4148 1.9070 1.9070 1.9504 1.9504 2.1186 2.1186 2.2126 2.2126 2.2853 2.2853 2.3411 2.3411 2.6196 2.6196 2.7039 2.7039 3.4088 3.4088 3.4572 3.4572 3.7855 3.7855 4.2004 4.2004 4.3616 4.3616 4.8969 4.8969 5.1373 5.1373 5.5433 5.5433 5.7770 5.7770 6.4030 6.4030 11.6086 11.6086 11.8566 11.8566 13.2222 13.2222 13.7245 13.7245 14.9222 14.9222 16.3823 16.3823 16.4147 16.4147 k = 0.7594-0.2411-0.1580 ( 3438 PWs) bands (ev): -15.8006 -15.8006 -15.7316 -15.7316 -12.9271 -12.9271 -12.7467 -12.7467 -12.6956 -12.6956 -12.5521 -12.5521 -2.2867 -2.2867 -1.8434 -1.8434 -0.9644 -0.9644 -0.6288 -0.6288 -0.4118 -0.4118 -0.3220 -0.3220 0.1760 0.1760 0.2518 0.2518 1.3005 1.3005 1.3935 1.3935 1.9049 1.9049 1.9523 1.9523 2.1283 2.1283 2.2119 2.2119 2.2864 2.2864 2.3440 2.3440 2.6242 2.6242 2.7113 2.7113 3.4366 3.4366 3.4847 3.4847 3.7790 3.7790 4.2000 4.2000 4.3320 4.3320 4.8847 4.8847 5.1273 5.1273 5.5468 5.5468 5.7541 5.7541 6.4101 6.4101 11.6164 11.6164 11.8583 11.8583 13.2449 13.2449 13.7456 13.7456 14.8612 14.8612 16.3544 16.3544 16.4387 16.4387 k = 0.7724-0.2309-0.1513 ( 3434 PWs) bands (ev): -15.8038 -15.8038 -15.7287 -15.7287 -12.9294 -12.9294 -12.7498 -12.7498 -12.6927 -12.6927 -12.5486 -12.5486 -2.2930 -2.2930 -1.8427 -1.8427 -0.9678 -0.9678 -0.6330 -0.6330 -0.3891 -0.3891 -0.3372 -0.3372 0.1764 0.1764 0.2654 0.2654 1.2896 1.2896 1.3740 1.3740 1.9011 1.9011 1.9560 1.9560 2.1374 2.1374 2.2113 2.2113 2.2876 2.2876 2.3477 2.3477 2.6291 2.6291 2.7190 2.7190 3.4637 3.4637 3.5107 3.5107 3.7735 3.7735 4.1985 4.1985 4.3049 4.3049 4.8722 4.8722 5.1180 5.1180 5.5502 5.5502 5.7315 5.7315 6.4165 6.4165 11.6240 11.6240 11.8583 11.8583 13.2700 13.2700 13.7633 13.7633 14.8042 14.8042 16.3259 16.3259 16.4678 16.4678 k = 0.7854-0.2207-0.1446 ( 3439 PWs) bands (ev): -15.8072 -15.8072 -15.7258 -15.7258 -12.9312 -12.9312 -12.7525 -12.7525 -12.6900 -12.6900 -12.5453 -12.5453 -2.2986 -2.2986 -1.8432 -1.8432 -0.9712 -0.9712 -0.6366 -0.6366 -0.3671 -0.3671 -0.3521 -0.3521 0.1767 0.1767 0.2766 0.2766 1.2790 1.2790 1.3566 1.3566 1.8962 1.8962 1.9609 1.9609 2.1454 2.1454 2.2108 2.2108 2.2890 2.2890 2.3520 2.3520 2.6342 2.6342 2.7269 2.7269 3.4893 3.4893 3.5349 3.5349 3.7694 3.7694 4.1955 4.1955 4.2814 4.2814 4.8594 4.8594 5.1095 5.1095 5.5533 5.5533 5.7093 5.7093 6.4223 6.4223 11.6313 11.6313 11.8565 11.8565 13.2975 13.2975 13.7768 13.7768 14.7525 14.7525 16.2996 16.2996 16.4995 16.4995 Writing output data file ZnCO3.save init_run : 0.70s CPU 1.10s WALL ( 1 calls) electrons : 299.67s CPU 304.69s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.12s WALL ( 1 calls) potinit : 0.03s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 299.67s CPU 304.68s 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 0.01s WALL ( 1 calls) newd : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.07s WALL ( 287 calls) cegterg : 281.24s CPU 284.98s WALL ( 485 calls) Called by sum_band: Called by *egterg: h_psi : 140.57s CPU 142.99s WALL ( 7372 calls) s_psi : 7.11s CPU 7.17s WALL ( 7372 calls) g_psi : 0.25s CPU 0.28s WALL ( 6600 calls) cdiaghg : 123.00s CPU 124.38s WALL ( 6887 calls) cegterg:over : 10.57s CPU 10.58s WALL ( 6600 calls) cegterg:upda : 8.08s CPU 8.29s WALL ( 6600 calls) cegterg:last : 4.06s CPU 4.05s WALL ( 1059 calls) cdiaghg:chol : 7.28s CPU 7.32s WALL ( 6887 calls) cdiaghg:inve : 5.44s CPU 5.51s WALL ( 6887 calls) cdiaghg:para : 9.67s CPU 9.77s WALL ( 13774 calls) Called by h_psi: h_psi:vloc : 122.44s CPU 124.63s WALL ( 7372 calls) h_psi:vnl : 17.81s CPU 18.03s WALL ( 7372 calls) add_vuspsi : 8.99s CPU 9.12s WALL ( 7372 calls) General routines calbec : 8.80s CPU 8.89s WALL ( 7372 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 113.89s CPU 115.90s WALL ( 1143880 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.31s WALL ( 574 calls) Parallel routines fft_scatter : 37.31s CPU 38.00s WALL ( 1143903 calls) PWSCF : 5m19.84s CPU 5m48.55s WALL This run was terminated on: 17:18:18 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=