Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:11:55 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./LiSbF6.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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 80 80 22 2789 2789 402 Max 81 81 23 2792 2792 405 Sum 2897 2897 803 100471 100471 14513 bravais-lattice index = 14 lattice parameter (alat) = 10.2630 a.u. unit-cell volume = 710.8931 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.263012 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.545140 celldm(5)= 0.545140 celldm(6)= 0.545140 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.545140 0.838345 0.000000 ) a(3) = ( 0.545140 0.295776 0.784435 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.650258 -0.449762 ) b(2) = ( 0.000000 1.192827 -0.449762 ) b(3) = ( 0.000000 0.000000 1.274803 ) PseudoPot. # 1 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 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 F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) F 7.00 18.99840 F( 1.00) Sb 5.00 121.76000 Sb( 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= 271 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 2) = ( 0.0135135 -0.0087873 -0.0060779), wk = 0.0036900 k( 3) = ( 0.0270270 -0.0175745 -0.0121557), wk = 0.0036900 k( 4) = ( 0.0405405 -0.0263618 -0.0182336), wk = 0.0036900 k( 5) = ( 0.0540540 -0.0351491 -0.0243115), wk = 0.0036900 k( 6) = ( 0.0675676 -0.0439363 -0.0303894), wk = 0.0036900 k( 7) = ( 0.0810811 -0.0527236 -0.0364672), wk = 0.0036900 k( 8) = ( 0.0945946 -0.0615109 -0.0425451), wk = 0.0036900 k( 9) = ( 0.1081081 -0.0702981 -0.0486230), wk = 0.0036900 k( 10) = ( 0.1216216 -0.0790854 -0.0547008), wk = 0.0036900 k( 11) = ( 0.1351351 -0.0878727 -0.0607787), wk = 0.0036900 k( 12) = ( 0.1486486 -0.0966599 -0.0668566), wk = 0.0036900 k( 13) = ( 0.1621622 -0.1054472 -0.0729345), wk = 0.0036900 k( 14) = ( 0.1756757 -0.1142345 -0.0790123), wk = 0.0036900 k( 15) = ( 0.1891892 -0.1230217 -0.0850902), wk = 0.0036900 k( 16) = ( 0.2027027 -0.1318090 -0.0911681), wk = 0.0036900 k( 17) = ( 0.2162162 -0.1405963 -0.0972459), wk = 0.0036900 k( 18) = ( 0.2297297 -0.1493835 -0.1033238), wk = 0.0036900 k( 19) = ( 0.2432432 -0.1581708 -0.1094017), wk = 0.0036900 k( 20) = ( 0.2567568 -0.1669581 -0.1154796), wk = 0.0036900 k( 21) = ( 0.2702703 -0.1757453 -0.1215574), wk = 0.0036900 k( 22) = ( 0.2837838 -0.1845326 -0.1276353), wk = 0.0036900 k( 23) = ( 0.2972973 -0.1933199 -0.1337132), wk = 0.0036900 k( 24) = ( 0.3108108 -0.2021071 -0.1397910), wk = 0.0036900 k( 25) = ( 0.3243243 -0.2108944 -0.1458689), wk = 0.0036900 k( 26) = ( 0.3378378 -0.2196817 -0.1519468), wk = 0.0036900 k( 27) = ( 0.3513514 -0.2284689 -0.1580247), wk = 0.0036900 k( 28) = ( 0.3648649 -0.2372562 -0.1641025), wk = 0.0036900 k( 29) = ( 0.3783784 -0.2460435 -0.1701804), wk = 0.0036900 k( 30) = ( 0.3918919 -0.2548307 -0.1762583), wk = 0.0036900 k( 31) = ( 0.4054054 -0.2636180 -0.1823362), wk = 0.0036900 k( 32) = ( 0.4189189 -0.2724053 -0.1884140), wk = 0.0036900 k( 33) = ( 0.4324324 -0.2811925 -0.1944919), wk = 0.0036900 k( 34) = ( 0.4459459 -0.2899798 -0.2005698), wk = 0.0036900 k( 35) = ( 0.4594595 -0.2987671 -0.2066476), wk = 0.0036900 k( 36) = ( 0.4729730 -0.3075543 -0.2127255), wk = 0.0036900 k( 37) = ( 0.4864865 -0.3163416 -0.2188034), wk = 0.0036900 k( 38) = ( 0.5000000 -0.3251289 -0.2248812), wk = 0.0036900 k( 39) = ( 0.5000000 -0.3251289 -0.2248812), wk = 0.0036900 k( 40) = ( 0.5000000 -0.3156180 -0.2386319), wk = 0.0036900 k( 41) = ( 0.5000000 -0.3061071 -0.2523826), wk = 0.0036900 k( 42) = ( 0.5000000 -0.2965962 -0.2661333), wk = 0.0036900 k( 43) = ( 0.5000000 -0.2870853 -0.2798839), wk = 0.0036900 k( 44) = ( 0.5000000 -0.2775744 -0.2936346), wk = 0.0036900 k( 45) = ( 0.5000000 -0.2680635 -0.3073853), wk = 0.0036900 k( 46) = ( 0.5000000 -0.2585526 -0.3211359), wk = 0.0036900 k( 47) = ( 0.5000000 -0.2490417 -0.3348866), wk = 0.0036900 k( 48) = ( 0.5000000 -0.2395308 -0.3486373), wk = 0.0036900 k( 49) = ( 0.5000000 -0.2300199 -0.3623879), wk = 0.0036900 k( 50) = ( 0.5000000 -0.2205090 -0.3761386), wk = 0.0036900 k( 51) = ( 0.5000000 -0.2109981 -0.3898893), wk = 0.0036900 k( 52) = ( 0.5000000 -0.2014872 -0.4036399), wk = 0.0036900 k( 53) = ( 0.5000000 -0.1919763 -0.4173906), wk = 0.0036900 k( 54) = ( 0.5000000 -0.1824654 -0.4311413), wk = 0.0036900 k( 55) = ( 0.5000000 -0.1729545 -0.4448919), wk = 0.0036900 k( 56) = ( 0.5000000 -0.1634436 -0.4586426), wk = 0.0036900 k( 57) = ( 0.5000000 -0.1539327 -0.4723933), wk = 0.0036900 k( 58) = ( 0.5000000 -0.1444218 -0.4861439), wk = 0.0036900 k( 59) = ( 0.5000000 -0.1349109 -0.4998946), wk = 0.0036900 k( 60) = ( 0.5000000 -0.1254000 -0.5136453), wk = 0.0036900 k( 61) = ( 0.5000000 -0.1158891 -0.5273959), wk = 0.0036900 k( 62) = ( 0.5000000 -0.1063782 -0.5411466), wk = 0.0036900 k( 63) = ( 0.5000000 -0.0968673 -0.5548973), wk = 0.0036900 k( 64) = ( 0.5000000 -0.0873564 -0.5686479), wk = 0.0036900 k( 65) = ( 0.5000000 -0.0778455 -0.5823986), wk = 0.0036900 k( 66) = ( 0.5000000 -0.0683346 -0.5961493), wk = 0.0036900 k( 67) = ( 0.5000000 -0.0588237 -0.6098999), wk = 0.0036900 k( 68) = ( 0.5000000 -0.0493129 -0.6236506), wk = 0.0036900 k( 69) = ( 0.5000000 -0.0398020 -0.6374013), wk = 0.0036900 k( 70) = ( 0.7607976 0.1016987 -0.2621237), wk = 0.0036900 k( 71) = ( 0.7526477 0.1069983 -0.2480687), wk = 0.0036900 k( 72) = ( 0.7444978 0.1122978 -0.2340136), wk = 0.0036900 k( 73) = ( 0.7363479 0.1175974 -0.2199585), wk = 0.0036900 k( 74) = ( 0.7281979 0.1228969 -0.2059034), wk = 0.0036900 k( 75) = ( 0.7200480 0.1281965 -0.1918484), wk = 0.0036900 k( 76) = ( 0.7118981 0.1334960 -0.1777933), wk = 0.0036900 k( 77) = ( 0.7037482 0.1387956 -0.1637382), wk = 0.0036900 k( 78) = ( 0.6955982 0.1440951 -0.1496831), wk = 0.0036900 k( 79) = ( 0.6874483 0.1493947 -0.1356280), wk = 0.0036900 k( 80) = ( 0.6792984 0.1546942 -0.1215730), wk = 0.0036900 k( 81) = ( 0.6711485 0.1599938 -0.1075179), wk = 0.0036900 k( 82) = ( 0.6629985 0.1652933 -0.0934628), wk = 0.0036900 k( 83) = ( 0.6548486 0.1705929 -0.0794077), wk = 0.0036900 k( 84) = ( 0.6466987 0.1758924 -0.0653527), wk = 0.0036900 k( 85) = ( 0.6385487 0.1811920 -0.0512976), wk = 0.0036900 k( 86) = ( 0.6303988 0.1864916 -0.0372425), wk = 0.0036900 k( 87) = ( 0.6222489 0.1917911 -0.0231874), wk = 0.0036900 k( 88) = ( 0.6140990 0.1970907 -0.0091323), wk = 0.0036900 k( 89) = ( 0.6059490 0.2023902 0.0049227), wk = 0.0036900 k( 90) = ( 0.5977991 0.2076898 0.0189778), wk = 0.0036900 k( 91) = ( 0.5896492 0.2129893 0.0330329), wk = 0.0036900 k( 92) = ( 0.5814993 0.2182889 0.0470880), wk = 0.0036900 k( 93) = ( 0.5733493 0.2235884 0.0611430), wk = 0.0036900 k( 94) = ( 0.5651994 0.2288880 0.0751981), wk = 0.0036900 k( 95) = ( 0.5570495 0.2341875 0.0892532), wk = 0.0036900 k( 96) = ( 0.5488996 0.2394871 0.1033083), wk = 0.0036900 k( 97) = ( 0.5407496 0.2447866 0.1173634), wk = 0.0036900 k( 98) = ( 0.5325997 0.2500862 0.1314184), wk = 0.0036900 k( 99) = ( 0.5244498 0.2553857 0.1454735), wk = 0.0036900 k( 100) = ( 0.5162999 0.2606853 0.1595286), wk = 0.0036900 k( 101) = ( 0.5081499 0.2659848 0.1735837), wk = 0.0036900 k( 102) = ( 0.5000000 0.2712844 0.1876388), wk = 0.0036900 k( 103) = ( 0.5000000 0.2712844 0.1876388), wk = 0.0036900 k( 104) = ( 0.4857143 0.2635334 0.1822776), wk = 0.0036900 k( 105) = ( 0.4714286 0.2557824 0.1769165), wk = 0.0036900 k( 106) = ( 0.4571429 0.2480315 0.1715554), wk = 0.0036900 k( 107) = ( 0.4428571 0.2402805 0.1661943), wk = 0.0036900 k( 108) = ( 0.4285714 0.2325295 0.1608332), wk = 0.0036900 k( 109) = ( 0.4142857 0.2247785 0.1554721), wk = 0.0036900 k( 110) = ( 0.4000000 0.2170275 0.1501110), wk = 0.0036900 k( 111) = ( 0.3857143 0.2092765 0.1447499), wk = 0.0036900 k( 112) = ( 0.3714286 0.2015256 0.1393888), wk = 0.0036900 k( 113) = ( 0.3571429 0.1937746 0.1340277), wk = 0.0036900 k( 114) = ( 0.3428571 0.1860236 0.1286666), wk = 0.0036900 k( 115) = ( 0.3285714 0.1782726 0.1233055), wk = 0.0036900 k( 116) = ( 0.3142857 0.1705216 0.1179444), wk = 0.0036900 k( 117) = ( 0.3000000 0.1627706 0.1125833), wk = 0.0036900 k( 118) = ( 0.2857143 0.1550197 0.1072221), wk = 0.0036900 k( 119) = ( 0.2714286 0.1472687 0.1018610), wk = 0.0036900 k( 120) = ( 0.2571429 0.1395177 0.0964999), wk = 0.0036900 k( 121) = ( 0.2428571 0.1317667 0.0911388), wk = 0.0036900 k( 122) = ( 0.2285714 0.1240157 0.0857777), wk = 0.0036900 k( 123) = ( 0.2142857 0.1162647 0.0804166), wk = 0.0036900 k( 124) = ( 0.2000000 0.1085138 0.0750555), wk = 0.0036900 k( 125) = ( 0.1857143 0.1007628 0.0696944), wk = 0.0036900 k( 126) = ( 0.1714286 0.0930118 0.0643333), wk = 0.0036900 k( 127) = ( 0.1571429 0.0852608 0.0589722), wk = 0.0036900 k( 128) = ( 0.1428571 0.0775098 0.0536111), wk = 0.0036900 k( 129) = ( 0.1285714 0.0697588 0.0482500), wk = 0.0036900 k( 130) = ( 0.1142857 0.0620079 0.0428889), wk = 0.0036900 k( 131) = ( 0.1000000 0.0542569 0.0375278), wk = 0.0036900 k( 132) = ( 0.0857143 0.0465059 0.0321666), wk = 0.0036900 k( 133) = ( 0.0714286 0.0387549 0.0268055), wk = 0.0036900 k( 134) = ( 0.0571429 0.0310039 0.0214444), wk = 0.0036900 k( 135) = ( 0.0428571 0.0232529 0.0160833), wk = 0.0036900 k( 136) = ( 0.0285714 0.0155020 0.0107222), wk = 0.0036900 k( 137) = ( 0.0142857 0.0077510 0.0053611), wk = 0.0036900 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 140) = ( 0.0082134 -0.0053408 -0.0141645), wk = 0.0036900 k( 141) = ( 0.0164267 -0.0106816 -0.0283289), wk = 0.0036900 k( 142) = ( 0.0246401 -0.0160224 -0.0424934), wk = 0.0036900 k( 143) = ( 0.0328534 -0.0213632 -0.0566579), wk = 0.0036900 k( 144) = ( 0.0410668 -0.0267040 -0.0708224), wk = 0.0036900 k( 145) = ( 0.0492802 -0.0320448 -0.0849868), wk = 0.0036900 k( 146) = ( 0.0574935 -0.0373856 -0.0991513), wk = 0.0036900 k( 147) = ( 0.0657069 -0.0427264 -0.1133158), wk = 0.0036900 k( 148) = ( 0.0739202 -0.0480672 -0.1274803), wk = 0.0036900 k( 149) = ( 0.0821336 -0.0534080 -0.1416447), wk = 0.0036900 k( 150) = ( 0.0903469 -0.0587488 -0.1558092), wk = 0.0036900 k( 151) = ( 0.0985603 -0.0640896 -0.1699737), wk = 0.0036900 k( 152) = ( 0.1067737 -0.0694304 -0.1841381), wk = 0.0036900 k( 153) = ( 0.1149870 -0.0747712 -0.1983026), wk = 0.0036900 k( 154) = ( 0.1232004 -0.0801120 -0.2124671), wk = 0.0036900 k( 155) = ( 0.1314137 -0.0854528 -0.2266316), wk = 0.0036900 k( 156) = ( 0.1396271 -0.0907936 -0.2407960), wk = 0.0036900 k( 157) = ( 0.1478405 -0.0961344 -0.2549605), wk = 0.0036900 k( 158) = ( 0.1560538 -0.1014752 -0.2691250), wk = 0.0036900 k( 159) = ( 0.1642672 -0.1068160 -0.2832894), wk = 0.0036900 k( 160) = ( 0.1724806 -0.1121568 -0.2974539), wk = 0.0036900 k( 161) = ( 0.1806939 -0.1174976 -0.3116184), wk = 0.0036900 k( 162) = ( 0.1889073 -0.1228384 -0.3257829), wk = 0.0036900 k( 163) = ( 0.1971206 -0.1281792 -0.3399473), wk = 0.0036900 k( 164) = ( 0.2053340 -0.1335200 -0.3541118), wk = 0.0036900 k( 165) = ( 0.2135473 -0.1388608 -0.3682763), wk = 0.0036900 k( 166) = ( 0.2217607 -0.1442016 -0.3824408), wk = 0.0036900 k( 167) = ( 0.2299741 -0.1495424 -0.3966052), wk = 0.0036900 k( 168) = ( 0.2381874 -0.1548832 -0.4107697), wk = 0.0036900 k( 169) = ( 0.2464008 -0.1602240 -0.4249342), wk = 0.0036900 k( 170) = ( 0.2546141 -0.1655648 -0.4390986), wk = 0.0036900 k( 171) = ( 0.2628275 -0.1709056 -0.4532631), wk = 0.0036900 k( 172) = ( 0.2710409 -0.1762464 -0.4674276), wk = 0.0036900 k( 173) = ( 0.2792542 -0.1815872 -0.4815921), wk = 0.0036900 k( 174) = ( 0.2874676 -0.1869280 -0.4957565), wk = 0.0036900 k( 175) = ( 0.2956809 -0.1922688 -0.5099210), wk = 0.0036900 k( 176) = ( 0.3038943 -0.1976096 -0.5240855), wk = 0.0036900 k( 177) = ( 0.3121077 -0.2029504 -0.5382499), wk = 0.0036900 k( 178) = ( 0.3203210 -0.2082912 -0.5524144), wk = 0.0036900 k( 179) = ( 0.3285344 -0.2136320 -0.5665789), wk = 0.0036900 k( 180) = ( 0.3367477 -0.2189728 -0.5807434), wk = 0.0036900 k( 181) = ( 0.3449611 -0.2243136 -0.5949078), wk = 0.0036900 k( 182) = ( 0.3531745 -0.2296544 -0.6090723), wk = 0.0036900 k( 183) = ( 0.3613878 -0.2349952 -0.6232368), wk = 0.0036900 k( 184) = ( 0.3696012 -0.2403360 -0.6374013), wk = 0.0036900 k( 185) = ( 0.6303988 0.0309484 -0.4497625), wk = 0.0036900 k( 186) = ( 0.6222489 0.0459694 -0.4497625), wk = 0.0036900 k( 187) = ( 0.6140990 0.0609904 -0.4497625), wk = 0.0036900 k( 188) = ( 0.6059490 0.0760114 -0.4497625), wk = 0.0036900 k( 189) = ( 0.5977991 0.0910324 -0.4497625), wk = 0.0036900 k( 190) = ( 0.5896492 0.1060534 -0.4497625), wk = 0.0036900 k( 191) = ( 0.5814993 0.1210744 -0.4497625), wk = 0.0036900 k( 192) = ( 0.5733493 0.1360954 -0.4497625), wk = 0.0036900 k( 193) = ( 0.5651994 0.1511164 -0.4497625), wk = 0.0036900 k( 194) = ( 0.5570495 0.1661374 -0.4497625), wk = 0.0036900 k( 195) = ( 0.5488996 0.1811584 -0.4497625), wk = 0.0036900 k( 196) = ( 0.5407496 0.1961794 -0.4497625), wk = 0.0036900 k( 197) = ( 0.5325997 0.2112004 -0.4497625), wk = 0.0036900 k( 198) = ( 0.5244498 0.2262214 -0.4497625), wk = 0.0036900 k( 199) = ( 0.5162999 0.2412424 -0.4497625), wk = 0.0036900 k( 200) = ( 0.5081499 0.2562634 -0.4497625), wk = 0.0036900 k( 201) = ( 0.5000000 0.2712844 -0.4497625), wk = 0.0036900 k( 202) = ( 0.5000000 0.2712844 -0.4497625), wk = 0.0036900 k( 203) = ( 0.5093142 0.2763380 -0.4363597), wk = 0.0036900 k( 204) = ( 0.5186284 0.2813916 -0.4229570), wk = 0.0036900 k( 205) = ( 0.5279426 0.2864452 -0.4095542), wk = 0.0036900 k( 206) = ( 0.5372568 0.2914988 -0.3961514), wk = 0.0036900 k( 207) = ( 0.5465710 0.2965524 -0.3827487), wk = 0.0036900 k( 208) = ( 0.5558852 0.3016060 -0.3693459), wk = 0.0036900 k( 209) = ( 0.5651994 0.3066596 -0.3559431), wk = 0.0036900 k( 210) = ( 0.5745136 0.3117132 -0.3425403), wk = 0.0036900 k( 211) = ( 0.5838278 0.3167668 -0.3291376), wk = 0.0036900 k( 212) = ( 0.5931420 0.3218204 -0.3157348), wk = 0.0036900 k( 213) = ( 0.6024562 0.3268739 -0.3023321), wk = 0.0036900 k( 214) = ( 0.6117704 0.3319275 -0.2889293), wk = 0.0036900 k( 215) = ( 0.6210846 0.3369811 -0.2755265), wk = 0.0036900 k( 216) = ( 0.6303988 0.3420347 -0.2621237), wk = 0.0036900 k( 217) = ( 0.6303988 0.3420347 -0.2621237), wk = 0.0036900 k( 218) = ( 0.6257417 0.3395079 -0.2460608), wk = 0.0036900 k( 219) = ( 0.6210846 0.3369811 -0.2299979), wk = 0.0036900 k( 220) = ( 0.6164275 0.3344543 -0.2139349), wk = 0.0036900 k( 221) = ( 0.6117704 0.3319275 -0.1978720), wk = 0.0036900 k( 222) = ( 0.6071133 0.3294007 -0.1818090), wk = 0.0036900 k( 223) = ( 0.6024562 0.3268739 -0.1657461), wk = 0.0036900 k( 224) = ( 0.5977991 0.3243471 -0.1496831), wk = 0.0036900 k( 225) = ( 0.5931420 0.3218204 -0.1336202), wk = 0.0036900 k( 226) = ( 0.5884849 0.3192936 -0.1175572), wk = 0.0036900 k( 227) = ( 0.5838278 0.3167668 -0.1014943), wk = 0.0036900 k( 228) = ( 0.5791707 0.3142400 -0.0854313), wk = 0.0036900 k( 229) = ( 0.5745136 0.3117132 -0.0693684), wk = 0.0036900 k( 230) = ( 0.5698565 0.3091864 -0.0533054), wk = 0.0036900 k( 231) = ( 0.5651994 0.3066596 -0.0372425), wk = 0.0036900 k( 232) = ( 0.5605423 0.3041328 -0.0211795), wk = 0.0036900 k( 233) = ( 0.5558852 0.3016060 -0.0051166), wk = 0.0036900 k( 234) = ( 0.5512281 0.2990792 0.0109463), wk = 0.0036900 k( 235) = ( 0.5465710 0.2965524 0.0270093), wk = 0.0036900 k( 236) = ( 0.5419139 0.2940256 0.0430722), wk = 0.0036900 k( 237) = ( 0.5372568 0.2914988 0.0591352), wk = 0.0036900 k( 238) = ( 0.5325997 0.2889720 0.0751981), wk = 0.0036900 k( 239) = ( 0.5279426 0.2864452 0.0912611), wk = 0.0036900 k( 240) = ( 0.5232855 0.2839184 0.1073240), wk = 0.0036900 k( 241) = ( 0.5186284 0.2813916 0.1233870), wk = 0.0036900 k( 242) = ( 0.5139713 0.2788648 0.1394499), wk = 0.0036900 k( 243) = ( 0.5093142 0.2763380 0.1555129), wk = 0.0036900 k( 244) = ( 0.5046571 0.2738112 0.1715758), wk = 0.0036900 k( 245) = ( 0.5000000 0.2712844 0.1876388), wk = 0.0036900 k( 246) = ( 0.5000000 -0.3251289 -0.2248812), wk = 0.0036900 k( 247) = ( 0.5104319 -0.3142775 -0.2173757), wk = 0.0036900 k( 248) = ( 0.5208638 -0.3034261 -0.2098702), wk = 0.0036900 k( 249) = ( 0.5312957 -0.2925747 -0.2023646), wk = 0.0036900 k( 250) = ( 0.5417276 -0.2817234 -0.1948590), wk = 0.0036900 k( 251) = ( 0.5521595 -0.2708720 -0.1873535), wk = 0.0036900 k( 252) = ( 0.5625914 -0.2600206 -0.1798480), wk = 0.0036900 k( 253) = ( 0.5730233 -0.2491692 -0.1723424), wk = 0.0036900 k( 254) = ( 0.5834552 -0.2383179 -0.1648368), wk = 0.0036900 k( 255) = ( 0.5938872 -0.2274665 -0.1573313), wk = 0.0036900 k( 256) = ( 0.6043191 -0.2166151 -0.1498257), wk = 0.0036900 k( 257) = ( 0.6147510 -0.2057637 -0.1423202), wk = 0.0036900 k( 258) = ( 0.6251829 -0.1949124 -0.1348147), wk = 0.0036900 k( 259) = ( 0.6356148 -0.1840610 -0.1273091), wk = 0.0036900 k( 260) = ( 0.6460467 -0.1732096 -0.1198035), wk = 0.0036900 k( 261) = ( 0.6564786 -0.1623582 -0.1122980), wk = 0.0036900 k( 262) = ( 0.6669105 -0.1515069 -0.1047925), wk = 0.0036900 k( 263) = ( 0.6773424 -0.1406555 -0.0972869), wk = 0.0036900 k( 264) = ( 0.6877743 -0.1298041 -0.0897813), wk = 0.0036900 k( 265) = ( 0.6982062 -0.1189527 -0.0822758), wk = 0.0036900 k( 266) = ( 0.7086381 -0.1081013 -0.0747702), wk = 0.0036900 k( 267) = ( 0.7190700 -0.0972500 -0.0672647), wk = 0.0036900 k( 268) = ( 0.7295019 -0.0863986 -0.0597592), wk = 0.0036900 k( 269) = ( 0.7399338 -0.0755472 -0.0522536), wk = 0.0036900 k( 270) = ( 0.7503657 -0.0646958 -0.0447480), wk = 0.0036900 k( 271) = ( 0.7607976 -0.0538445 -0.0372425), wk = 0.0036900 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 2) = ( 0.0135135 -0.0000000 0.0000000), wk = 0.0036900 k( 3) = ( 0.0270270 -0.0000000 -0.0000000), wk = 0.0036900 k( 4) = ( 0.0405405 -0.0000000 0.0000000), wk = 0.0036900 k( 5) = ( 0.0540540 -0.0000000 0.0000000), wk = 0.0036900 k( 6) = ( 0.0675676 -0.0000000 0.0000000), wk = 0.0036900 k( 7) = ( 0.0810811 -0.0000000 0.0000000), wk = 0.0036900 k( 8) = ( 0.0945946 0.0000000 0.0000000), wk = 0.0036900 k( 9) = ( 0.1081081 -0.0000000 0.0000000), wk = 0.0036900 k( 10) = ( 0.1216216 -0.0000000 0.0000000), wk = 0.0036900 k( 11) = ( 0.1351351 -0.0000000 0.0000000), wk = 0.0036900 k( 12) = ( 0.1486486 0.0000000 0.0000000), wk = 0.0036900 k( 13) = ( 0.1621622 -0.0000000 0.0000000), wk = 0.0036900 k( 14) = ( 0.1756757 -0.0000000 -0.0000000), wk = 0.0036900 k( 15) = ( 0.1891892 -0.0000000 0.0000000), wk = 0.0036900 k( 16) = ( 0.2027027 -0.0000000 -0.0000000), wk = 0.0036900 k( 17) = ( 0.2162162 -0.0000000 0.0000000), wk = 0.0036900 k( 18) = ( 0.2297297 -0.0000000 0.0000000), wk = 0.0036900 k( 19) = ( 0.2432432 -0.0000000 0.0000000), wk = 0.0036900 k( 20) = ( 0.2567568 -0.0000000 -0.0000000), wk = 0.0036900 k( 21) = ( 0.2702703 -0.0000000 0.0000000), wk = 0.0036900 k( 22) = ( 0.2837838 -0.0000000 0.0000000), wk = 0.0036900 k( 23) = ( 0.2972973 0.0000000 0.0000000), wk = 0.0036900 k( 24) = ( 0.3108108 -0.0000000 -0.0000000), wk = 0.0036900 k( 25) = ( 0.3243243 -0.0000000 0.0000000), wk = 0.0036900 k( 26) = ( 0.3378378 -0.0000000 -0.0000000), wk = 0.0036900 k( 27) = ( 0.3513514 -0.0000000 0.0000000), wk = 0.0036900 k( 28) = ( 0.3648649 -0.0000000 0.0000000), wk = 0.0036900 k( 29) = ( 0.3783784 -0.0000000 0.0000000), wk = 0.0036900 k( 30) = ( 0.3918919 -0.0000000 0.0000000), wk = 0.0036900 k( 31) = ( 0.4054054 0.0000000 0.0000000), wk = 0.0036900 k( 32) = ( 0.4189189 -0.0000000 0.0000000), wk = 0.0036900 k( 33) = ( 0.4324324 -0.0000000 -0.0000000), wk = 0.0036900 k( 34) = ( 0.4459459 -0.0000000 0.0000000), wk = 0.0036900 k( 35) = ( 0.4594595 -0.0000000 0.0000000), wk = 0.0036900 k( 36) = ( 0.4729730 0.0000000 0.0000000), wk = 0.0036900 k( 37) = ( 0.4864865 0.0000000 0.0000000), wk = 0.0036900 k( 38) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0036900 k( 39) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0036900 k( 40) = ( 0.5000000 0.0079734 -0.0079734), wk = 0.0036900 k( 41) = ( 0.5000000 0.0159468 -0.0159468), wk = 0.0036900 k( 42) = ( 0.5000000 0.0239202 -0.0239202), wk = 0.0036900 k( 43) = ( 0.5000000 0.0318936 -0.0318936), wk = 0.0036900 k( 44) = ( 0.5000000 0.0398671 -0.0398671), wk = 0.0036900 k( 45) = ( 0.5000000 0.0478405 -0.0478405), wk = 0.0036900 k( 46) = ( 0.5000000 0.0558139 -0.0558139), wk = 0.0036900 k( 47) = ( 0.5000000 0.0637873 -0.0637873), wk = 0.0036900 k( 48) = ( 0.5000000 0.0717607 -0.0717607), wk = 0.0036900 k( 49) = ( 0.5000000 0.0797341 -0.0797341), wk = 0.0036900 k( 50) = ( 0.5000000 0.0877075 -0.0877075), wk = 0.0036900 k( 51) = ( 0.5000000 0.0956809 -0.0956809), wk = 0.0036900 k( 52) = ( 0.5000000 0.1036544 -0.1036544), wk = 0.0036900 k( 53) = ( 0.5000000 0.1116278 -0.1116278), wk = 0.0036900 k( 54) = ( 0.5000000 0.1196012 -0.1196012), wk = 0.0036900 k( 55) = ( 0.5000000 0.1275746 -0.1275746), wk = 0.0036900 k( 56) = ( 0.5000000 0.1355480 -0.1355480), wk = 0.0036900 k( 57) = ( 0.5000000 0.1435214 -0.1435214), wk = 0.0036900 k( 58) = ( 0.5000000 0.1514948 -0.1514948), wk = 0.0036900 k( 59) = ( 0.5000000 0.1594682 -0.1594682), wk = 0.0036900 k( 60) = ( 0.5000000 0.1674416 -0.1674416), wk = 0.0036900 k( 61) = ( 0.5000000 0.1754151 -0.1754151), wk = 0.0036900 k( 62) = ( 0.5000000 0.1833885 -0.1833885), wk = 0.0036900 k( 63) = ( 0.5000000 0.1913619 -0.1913619), wk = 0.0036900 k( 64) = ( 0.5000000 0.1993353 -0.1993353), wk = 0.0036900 k( 65) = ( 0.5000000 0.2073087 -0.2073087), wk = 0.0036900 k( 66) = ( 0.5000000 0.2152821 -0.2152821), wk = 0.0036900 k( 67) = ( 0.5000000 0.2232555 -0.2232555), wk = 0.0036900 k( 68) = ( 0.5000000 0.2312289 -0.2312289), wk = 0.0036900 k( 69) = ( 0.5000000 0.2392024 -0.2392024), wk = 0.0036900 k( 70) = ( 0.7607976 0.5000000 0.2392024), wk = 0.0036900 k( 71) = ( 0.7526477 0.5000000 0.2473523), wk = 0.0036900 k( 72) = ( 0.7444978 0.5000000 0.2555022), wk = 0.0036900 k( 73) = ( 0.7363479 0.5000000 0.2636521), wk = 0.0036900 k( 74) = ( 0.7281979 0.5000000 0.2718021), wk = 0.0036900 k( 75) = ( 0.7200480 0.5000000 0.2799520), wk = 0.0036900 k( 76) = ( 0.7118981 0.5000000 0.2881019), wk = 0.0036900 k( 77) = ( 0.7037482 0.5000000 0.2962518), wk = 0.0036900 k( 78) = ( 0.6955982 0.5000000 0.3044018), wk = 0.0036900 k( 79) = ( 0.6874483 0.5000000 0.3125517), wk = 0.0036900 k( 80) = ( 0.6792984 0.5000000 0.3207016), wk = 0.0036900 k( 81) = ( 0.6711485 0.5000000 0.3288515), wk = 0.0036900 k( 82) = ( 0.6629985 0.5000000 0.3370015), wk = 0.0036900 k( 83) = ( 0.6548486 0.5000000 0.3451514), wk = 0.0036900 k( 84) = ( 0.6466987 0.5000000 0.3533013), wk = 0.0036900 k( 85) = ( 0.6385487 0.5000000 0.3614513), wk = 0.0036900 k( 86) = ( 0.6303988 0.5000000 0.3696012), wk = 0.0036900 k( 87) = ( 0.6222489 0.5000000 0.3777511), wk = 0.0036900 k( 88) = ( 0.6140990 0.5000000 0.3859010), wk = 0.0036900 k( 89) = ( 0.6059490 0.5000000 0.3940510), wk = 0.0036900 k( 90) = ( 0.5977991 0.5000000 0.4022009), wk = 0.0036900 k( 91) = ( 0.5896492 0.5000000 0.4103508), wk = 0.0036900 k( 92) = ( 0.5814993 0.5000000 0.4185007), wk = 0.0036900 k( 93) = ( 0.5733493 0.5000000 0.4266507), wk = 0.0036900 k( 94) = ( 0.5651994 0.5000000 0.4348006), wk = 0.0036900 k( 95) = ( 0.5570495 0.5000000 0.4429505), wk = 0.0036900 k( 96) = ( 0.5488996 0.5000000 0.4511004), wk = 0.0036900 k( 97) = ( 0.5407496 0.5000000 0.4592504), wk = 0.0036900 k( 98) = ( 0.5325997 0.5000000 0.4674003), wk = 0.0036900 k( 99) = ( 0.5244498 0.5000000 0.4755502), wk = 0.0036900 k( 100) = ( 0.5162999 0.5000000 0.4837001), wk = 0.0036900 k( 101) = ( 0.5081499 0.5000000 0.4918501), wk = 0.0036900 k( 102) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036900 k( 103) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036900 k( 104) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0036900 k( 105) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0036900 k( 106) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0036900 k( 107) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0036900 k( 108) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0036900 k( 109) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0036900 k( 110) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0036900 k( 111) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0036900 k( 112) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0036900 k( 113) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0036900 k( 114) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0036900 k( 115) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0036900 k( 116) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0036900 k( 117) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0036900 k( 118) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0036900 k( 119) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0036900 k( 120) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0036900 k( 121) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0036900 k( 122) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0036900 k( 123) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0036900 k( 124) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0036900 k( 125) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0036900 k( 126) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0036900 k( 127) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0036900 k( 128) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0036900 k( 129) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0036900 k( 130) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0036900 k( 131) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0036900 k( 132) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0036900 k( 133) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0036900 k( 134) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0036900 k( 135) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0036900 k( 136) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0036900 k( 137) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0036900 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 140) = ( 0.0082134 0.0000000 -0.0082134), wk = 0.0036900 k( 141) = ( 0.0164267 0.0000000 -0.0164267), wk = 0.0036900 k( 142) = ( 0.0246401 0.0000000 -0.0246401), wk = 0.0036900 k( 143) = ( 0.0328534 0.0000000 -0.0328534), wk = 0.0036900 k( 144) = ( 0.0410668 -0.0000000 -0.0410668), wk = 0.0036900 k( 145) = ( 0.0492802 0.0000000 -0.0492802), wk = 0.0036900 k( 146) = ( 0.0574935 0.0000000 -0.0574935), wk = 0.0036900 k( 147) = ( 0.0657069 0.0000000 -0.0657069), wk = 0.0036900 k( 148) = ( 0.0739202 0.0000000 -0.0739202), wk = 0.0036900 k( 149) = ( 0.0821336 -0.0000000 -0.0821336), wk = 0.0036900 k( 150) = ( 0.0903469 -0.0000000 -0.0903469), wk = 0.0036900 k( 151) = ( 0.0985603 0.0000000 -0.0985603), wk = 0.0036900 k( 152) = ( 0.1067737 -0.0000000 -0.1067737), wk = 0.0036900 k( 153) = ( 0.1149870 -0.0000000 -0.1149870), wk = 0.0036900 k( 154) = ( 0.1232004 -0.0000000 -0.1232004), wk = 0.0036900 k( 155) = ( 0.1314137 -0.0000000 -0.1314137), wk = 0.0036900 k( 156) = ( 0.1396271 -0.0000000 -0.1396271), wk = 0.0036900 k( 157) = ( 0.1478405 -0.0000000 -0.1478405), wk = 0.0036900 k( 158) = ( 0.1560538 -0.0000000 -0.1560538), wk = 0.0036900 k( 159) = ( 0.1642672 -0.0000000 -0.1642672), wk = 0.0036900 k( 160) = ( 0.1724806 -0.0000000 -0.1724806), wk = 0.0036900 k( 161) = ( 0.1806939 -0.0000000 -0.1806939), wk = 0.0036900 k( 162) = ( 0.1889073 -0.0000000 -0.1889073), wk = 0.0036900 k( 163) = ( 0.1971206 0.0000000 -0.1971206), wk = 0.0036900 k( 164) = ( 0.2053340 -0.0000000 -0.2053340), wk = 0.0036900 k( 165) = ( 0.2135473 -0.0000000 -0.2135473), wk = 0.0036900 k( 166) = ( 0.2217607 -0.0000000 -0.2217607), wk = 0.0036900 k( 167) = ( 0.2299741 -0.0000000 -0.2299741), wk = 0.0036900 k( 168) = ( 0.2381874 0.0000000 -0.2381874), wk = 0.0036900 k( 169) = ( 0.2464008 -0.0000000 -0.2464008), wk = 0.0036900 k( 170) = ( 0.2546141 -0.0000000 -0.2546141), wk = 0.0036900 k( 171) = ( 0.2628275 -0.0000000 -0.2628275), wk = 0.0036900 k( 172) = ( 0.2710409 -0.0000000 -0.2710409), wk = 0.0036900 k( 173) = ( 0.2792542 -0.0000000 -0.2792542), wk = 0.0036900 k( 174) = ( 0.2874676 0.0000000 -0.2874676), wk = 0.0036900 k( 175) = ( 0.2956809 -0.0000000 -0.2956809), wk = 0.0036900 k( 176) = ( 0.3038943 0.0000000 -0.3038943), wk = 0.0036900 k( 177) = ( 0.3121077 -0.0000000 -0.3121077), wk = 0.0036900 k( 178) = ( 0.3203210 -0.0000000 -0.3203210), wk = 0.0036900 k( 179) = ( 0.3285344 -0.0000000 -0.3285344), wk = 0.0036900 k( 180) = ( 0.3367477 -0.0000000 -0.3367477), wk = 0.0036900 k( 181) = ( 0.3449611 -0.0000000 -0.3449611), wk = 0.0036900 k( 182) = ( 0.3531745 -0.0000000 -0.3531745), wk = 0.0036900 k( 183) = ( 0.3613878 -0.0000000 -0.3613878), wk = 0.0036900 k( 184) = ( 0.3696012 0.0000000 -0.3696012), wk = 0.0036900 k( 185) = ( 0.6303988 0.3696012 0.0000000), wk = 0.0036900 k( 186) = ( 0.6222489 0.3777511 0.0000000), wk = 0.0036900 k( 187) = ( 0.6140990 0.3859010 0.0000000), wk = 0.0036900 k( 188) = ( 0.6059490 0.3940510 0.0000000), wk = 0.0036900 k( 189) = ( 0.5977991 0.4022009 0.0000000), wk = 0.0036900 k( 190) = ( 0.5896492 0.4103508 -0.0000000), wk = 0.0036900 k( 191) = ( 0.5814993 0.4185007 0.0000000), wk = 0.0036900 k( 192) = ( 0.5733493 0.4266507 -0.0000000), wk = 0.0036900 k( 193) = ( 0.5651994 0.4348006 0.0000000), wk = 0.0036900 k( 194) = ( 0.5570495 0.4429505 -0.0000000), wk = 0.0036900 k( 195) = ( 0.5488996 0.4511004 0.0000000), wk = 0.0036900 k( 196) = ( 0.5407496 0.4592504 -0.0000000), wk = 0.0036900 k( 197) = ( 0.5325997 0.4674003 0.0000000), wk = 0.0036900 k( 198) = ( 0.5244498 0.4755502 0.0000000), wk = 0.0036900 k( 199) = ( 0.5162999 0.4837001 0.0000000), wk = 0.0036900 k( 200) = ( 0.5081499 0.4918501 -0.0000000), wk = 0.0036900 k( 201) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036900 k( 202) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036900 k( 203) = ( 0.5093142 0.5093142 0.0170859), wk = 0.0036900 k( 204) = ( 0.5186284 0.5186284 0.0341718), wk = 0.0036900 k( 205) = ( 0.5279426 0.5279426 0.0512576), wk = 0.0036900 k( 206) = ( 0.5372568 0.5372568 0.0683435), wk = 0.0036900 k( 207) = ( 0.5465710 0.5465710 0.0854294), wk = 0.0036900 k( 208) = ( 0.5558852 0.5558852 0.1025153), wk = 0.0036900 k( 209) = ( 0.5651994 0.5651994 0.1196012), wk = 0.0036900 k( 210) = ( 0.5745136 0.5745136 0.1366871), wk = 0.0036900 k( 211) = ( 0.5838278 0.5838278 0.1537729), wk = 0.0036900 k( 212) = ( 0.5931420 0.5931420 0.1708588), wk = 0.0036900 k( 213) = ( 0.6024562 0.6024562 0.1879447), wk = 0.0036900 k( 214) = ( 0.6117704 0.6117704 0.2050306), wk = 0.0036900 k( 215) = ( 0.6210846 0.6210846 0.2221165), wk = 0.0036900 k( 216) = ( 0.6303988 0.6303988 0.2392023), wk = 0.0036900 k( 217) = ( 0.6303988 0.6303988 0.2392023), wk = 0.0036900 k( 218) = ( 0.6257417 0.6257417 0.2485166), wk = 0.0036900 k( 219) = ( 0.6210846 0.6210846 0.2578307), wk = 0.0036900 k( 220) = ( 0.6164275 0.6164275 0.2671450), wk = 0.0036900 k( 221) = ( 0.6117704 0.6117704 0.2764592), wk = 0.0036900 k( 222) = ( 0.6071133 0.6071133 0.2857734), wk = 0.0036900 k( 223) = ( 0.6024562 0.6024562 0.2950876), wk = 0.0036900 k( 224) = ( 0.5977991 0.5977991 0.3044018), wk = 0.0036900 k( 225) = ( 0.5931420 0.5931420 0.3137160), wk = 0.0036900 k( 226) = ( 0.5884849 0.5884849 0.3230302), wk = 0.0036900 k( 227) = ( 0.5838278 0.5838278 0.3323444), wk = 0.0036900 k( 228) = ( 0.5791707 0.5791707 0.3416586), wk = 0.0036900 k( 229) = ( 0.5745136 0.5745136 0.3509728), wk = 0.0036900 k( 230) = ( 0.5698565 0.5698565 0.3602870), wk = 0.0036900 k( 231) = ( 0.5651994 0.5651994 0.3696012), wk = 0.0036900 k( 232) = ( 0.5605423 0.5605423 0.3789154), wk = 0.0036900 k( 233) = ( 0.5558852 0.5558852 0.3882296), wk = 0.0036900 k( 234) = ( 0.5512281 0.5512281 0.3975438), wk = 0.0036900 k( 235) = ( 0.5465710 0.5465710 0.4068580), wk = 0.0036900 k( 236) = ( 0.5419139 0.5419139 0.4161722), wk = 0.0036900 k( 237) = ( 0.5372568 0.5372568 0.4254864), wk = 0.0036900 k( 238) = ( 0.5325997 0.5325997 0.4348006), wk = 0.0036900 k( 239) = ( 0.5279426 0.5279426 0.4441148), wk = 0.0036900 k( 240) = ( 0.5232855 0.5232855 0.4534290), wk = 0.0036900 k( 241) = ( 0.5186284 0.5186284 0.4627432), wk = 0.0036900 k( 242) = ( 0.5139713 0.5139713 0.4720574), wk = 0.0036900 k( 243) = ( 0.5093142 0.5093142 0.4813716), wk = 0.0036900 k( 244) = ( 0.5046571 0.5046571 0.4906858), wk = 0.0036900 k( 245) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036900 k( 246) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0036900 k( 247) = ( 0.5104319 0.0147841 0.0147841), wk = 0.0036900 k( 248) = ( 0.5208638 0.0295681 0.0295681), wk = 0.0036900 k( 249) = ( 0.5312957 0.0443521 0.0443521), wk = 0.0036900 k( 250) = ( 0.5417276 0.0591362 0.0591362), wk = 0.0036900 k( 251) = ( 0.5521595 0.0739202 0.0739202), wk = 0.0036900 k( 252) = ( 0.5625914 0.0887043 0.0887043), wk = 0.0036900 k( 253) = ( 0.5730233 0.1034883 0.1034883), wk = 0.0036900 k( 254) = ( 0.5834552 0.1182724 0.1182724), wk = 0.0036900 k( 255) = ( 0.5938872 0.1330564 0.1330564), wk = 0.0036900 k( 256) = ( 0.6043191 0.1478405 0.1478405), wk = 0.0036900 k( 257) = ( 0.6147510 0.1626245 0.1626245), wk = 0.0036900 k( 258) = ( 0.6251829 0.1774086 0.1774086), wk = 0.0036900 k( 259) = ( 0.6356148 0.1921926 0.1921926), wk = 0.0036900 k( 260) = ( 0.6460467 0.2069767 0.2069767), wk = 0.0036900 k( 261) = ( 0.6564786 0.2217607 0.2217607), wk = 0.0036900 k( 262) = ( 0.6669105 0.2365447 0.2365448), wk = 0.0036900 k( 263) = ( 0.6773424 0.2513288 0.2513288), wk = 0.0036900 k( 264) = ( 0.6877743 0.2661128 0.2661129), wk = 0.0036900 k( 265) = ( 0.6982062 0.2808969 0.2808969), wk = 0.0036900 k( 266) = ( 0.7086381 0.2956809 0.2956809), wk = 0.0036900 k( 267) = ( 0.7190700 0.3104650 0.3104650), wk = 0.0036900 k( 268) = ( 0.7295019 0.3252490 0.3252490), wk = 0.0036900 k( 269) = ( 0.7399338 0.3400331 0.3400331), wk = 0.0036900 k( 270) = ( 0.7503657 0.3548171 0.3548171), wk = 0.0036900 k( 271) = ( 0.7607976 0.3696012 0.3696012), wk = 0.0036900 Dense grid: 100471 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.65 Mb ( 708, 60) NL pseudopotentials 0.71 Mb ( 354, 132) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2792) G-vector shells 0.02 Mb ( 2249) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.59 Mb ( 708, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.24 Mb ( 132, 2, 60) The potential is recalculated from file : ./LiSbF6.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 4.3 secs Computing kpt #: 3 total cpu time spent up to now is 5.1 secs Computing kpt #: 4 total cpu time spent up to now is 6.0 secs Computing kpt #: 5 total cpu time spent up to now is 6.8 secs Computing kpt #: 6 total cpu time spent up to now is 7.7 secs Computing kpt #: 7 total cpu time spent up to now is 8.5 secs Computing kpt #: 8 total cpu time spent up to now is 9.4 secs Computing kpt #: 9 total cpu time spent up to now is 10.3 secs Computing kpt #: 10 total cpu time spent up to now is 11.1 secs Computing kpt #: 11 total cpu time spent up to now is 12.0 secs Computing kpt #: 12 total cpu time spent up to now is 12.9 secs Computing kpt #: 13 total cpu time spent up to now is 13.8 secs Computing kpt #: 14 total cpu time spent up to now is 14.7 secs Computing kpt #: 15 total cpu time spent up to now is 15.6 secs Computing kpt #: 16 total cpu time spent up to now is 16.5 secs Computing kpt #: 17 total cpu time spent up to now is 17.4 secs Computing kpt #: 18 total cpu time spent up to now is 18.3 secs Computing kpt #: 19 total cpu time spent up to now is 19.2 secs Computing kpt #: 20 total cpu time spent up to now is 20.1 secs Computing kpt #: 21 total cpu time spent up to now is 21.0 secs Computing kpt #: 22 total cpu time spent up to now is 21.9 secs Computing kpt #: 23 total cpu time spent up to now is 22.8 secs Computing kpt #: 24 total cpu time spent up to now is 23.8 secs Computing kpt #: 25 total cpu time spent up to now is 24.7 secs Computing kpt #: 26 total cpu time spent up to now is 25.6 secs Computing kpt #: 27 total cpu time spent up to now is 26.5 secs Computing kpt #: 28 total cpu time spent up to now is 27.4 secs Computing kpt #: 29 total cpu time spent up to now is 28.3 secs Computing kpt #: 30 total cpu time spent up to now is 29.2 secs Computing kpt #: 31 total cpu time spent up to now is 30.1 secs Computing kpt #: 32 total cpu time spent up to now is 31.0 secs Computing kpt #: 33 total cpu time spent up to now is 31.9 secs Computing kpt #: 34 total cpu time spent up to now is 32.8 secs Computing kpt #: 35 total cpu time spent up to now is 33.7 secs Computing kpt #: 36 total cpu time spent up to now is 34.5 secs Computing kpt #: 37 total cpu time spent up to now is 35.4 secs Computing kpt #: 38 total cpu time spent up to now is 36.3 secs Computing kpt #: 39 total cpu time spent up to now is 37.3 secs Computing kpt #: 40 total cpu time spent up to now is 38.2 secs Computing kpt #: 41 total cpu time spent up to now is 39.1 secs Computing kpt #: 42 total cpu time spent up to now is 40.0 secs Computing kpt #: 43 total cpu time spent up to now is 40.8 secs Computing kpt #: 44 total cpu time spent up to now is 41.7 secs Computing kpt #: 45 total cpu time spent up to now is 42.6 secs Computing kpt #: 46 total cpu time spent up to now is 43.5 secs Computing kpt #: 47 total cpu time spent up to now is 44.4 secs Computing kpt #: 48 total cpu time spent up to now is 45.3 secs Computing kpt #: 49 total cpu time spent up to now is 46.2 secs Computing kpt #: 50 total cpu time spent up to now is 47.1 secs Computing kpt #: 51 total cpu time spent up to now is 48.0 secs Computing kpt #: 52 total cpu time spent up to now is 48.9 secs Computing kpt #: 53 total cpu time spent up to now is 49.8 secs Computing kpt #: 54 total cpu time spent up to now is 50.8 secs Computing kpt #: 55 total cpu time spent up to now is 51.7 secs Computing kpt #: 56 total cpu time spent up to now is 52.6 secs Computing kpt #: 57 total cpu time spent up to now is 53.5 secs Computing kpt #: 58 total cpu time spent up to now is 54.5 secs Computing kpt #: 59 total cpu time spent up to now is 55.4 secs Computing kpt #: 60 total cpu time spent up to now is 56.4 secs Computing kpt #: 61 total cpu time spent up to now is 57.3 secs Computing kpt #: 62 total cpu time spent up to now is 58.3 secs Computing kpt #: 63 total cpu time spent up to now is 59.3 secs Computing kpt #: 64 total cpu time spent up to now is 60.4 secs Computing kpt #: 65 total cpu time spent up to now is 61.4 secs Computing kpt #: 66 total cpu time spent up to now is 62.6 secs Computing kpt #: 67 total cpu time spent up to now is 63.7 secs Computing kpt #: 68 total cpu time spent up to now is 64.8 secs Computing kpt #: 69 total cpu time spent up to now is 66.4 secs Computing kpt #: 70 total cpu time spent up to now is 67.5 secs Computing kpt #: 71 total cpu time spent up to now is 68.6 secs Computing kpt #: 72 total cpu time spent up to now is 69.7 secs Computing kpt #: 73 total cpu time spent up to now is 70.7 secs Computing kpt #: 74 total cpu time spent up to now is 71.7 secs Computing kpt #: 75 total cpu time spent up to now is 72.7 secs Computing kpt #: 76 total cpu time spent up to now is 73.7 secs Computing kpt #: 77 total cpu time spent up to now is 74.6 secs Computing kpt #: 78 total cpu time spent up to now is 75.6 secs Computing kpt #: 79 total cpu time spent up to now is 76.6 secs Computing kpt #: 80 total cpu time spent up to now is 77.5 secs Computing kpt #: 81 total cpu time spent up to now is 78.5 secs Computing kpt #: 82 total cpu time spent up to now is 79.4 secs Computing kpt #: 83 total cpu time spent up to now is 80.4 secs Computing kpt #: 84 total cpu time spent up to now is 81.3 secs Computing kpt #: 85 total cpu time spent up to now is 82.3 secs Computing kpt #: 86 total cpu time spent up to now is 83.2 secs Computing kpt #: 87 total cpu time spent up to now is 84.1 secs Computing kpt #: 88 total cpu time spent up to now is 85.0 secs Computing kpt #: 89 total cpu time spent up to now is 86.0 secs Computing kpt #: 90 total cpu time spent up to now is 86.9 secs Computing kpt #: 91 total cpu time spent up to now is 87.8 secs Computing kpt #: 92 total cpu time spent up to now is 88.7 secs Computing kpt #: 93 total cpu time spent up to now is 89.6 secs Computing kpt #: 94 total cpu time spent up to now is 90.5 secs Computing kpt #: 95 total cpu time spent up to now is 91.4 secs Computing kpt #: 96 total cpu time spent up to now is 92.3 secs Computing kpt #: 97 total cpu time spent up to now is 93.1 secs Computing kpt #: 98 total cpu time spent up to now is 94.0 secs Computing kpt #: 99 total cpu time spent up to now is 94.8 secs Computing kpt #: 100 total cpu time spent up to now is 95.7 secs Computing kpt #: 101 total cpu time spent up to now is 96.6 secs Computing kpt #: 102 total cpu time spent up to now is 97.4 secs Computing kpt #: 103 total cpu time spent up to now is 98.3 secs Computing kpt #: 104 total cpu time spent up to now is 99.1 secs Computing kpt #: 105 total cpu time spent up to now is 100.0 secs Computing kpt #: 106 total cpu time spent up to now is 100.9 secs Computing kpt #: 107 total cpu time spent up to now is 101.8 secs Computing kpt #: 108 total cpu time spent up to now is 102.7 secs Computing kpt #: 109 total cpu time spent up to now is 103.6 secs Computing kpt #: 110 total cpu time spent up to now is 104.5 secs Computing kpt #: 111 total cpu time spent up to now is 105.4 secs Computing kpt #: 112 total cpu time spent up to now is 106.3 secs Computing kpt #: 113 total cpu time spent up to now is 107.3 secs Computing kpt #: 114 total cpu time spent up to now is 108.2 secs Computing kpt #: 115 total cpu time spent up to now is 109.1 secs Computing kpt #: 116 total cpu time spent up to now is 110.0 secs Computing kpt #: 117 total cpu time spent up to now is 110.9 secs Computing kpt #: 118 total cpu time spent up to now is 111.7 secs Computing kpt #: 119 total cpu time spent up to now is 112.6 secs Computing kpt #: 120 total cpu time spent up to now is 113.5 secs Computing kpt #: 121 total cpu time spent up to now is 114.4 secs Computing kpt #: 122 total cpu time spent up to now is 115.3 secs Computing kpt #: 123 total cpu time spent up to now is 116.2 secs Computing kpt #: 124 total cpu time spent up to now is 117.0 secs Computing kpt #: 125 total cpu time spent up to now is 117.9 secs Computing kpt #: 126 total cpu time spent up to now is 118.8 secs Computing kpt #: 127 total cpu time spent up to now is 119.7 secs Computing kpt #: 128 total cpu time spent up to now is 120.5 secs Computing kpt #: 129 total cpu time spent up to now is 121.4 secs Computing kpt #: 130 total cpu time spent up to now is 122.2 secs Computing kpt #: 131 total cpu time spent up to now is 123.1 secs Computing kpt #: 132 total cpu time spent up to now is 123.9 secs Computing kpt #: 133 total cpu time spent up to now is 124.8 secs Computing kpt #: 134 total cpu time spent up to now is 125.7 secs Computing kpt #: 135 total cpu time spent up to now is 126.5 secs Computing kpt #: 136 total cpu time spent up to now is 127.4 secs Computing kpt #: 137 total cpu time spent up to now is 128.2 secs Computing kpt #: 138 total cpu time spent up to now is 129.1 secs Computing kpt #: 139 total cpu time spent up to now is 129.9 secs Computing kpt #: 140 total cpu time spent up to now is 130.8 secs Computing kpt #: 141 total cpu time spent up to now is 131.6 secs Computing kpt #: 142 total cpu time spent up to now is 132.5 secs Computing kpt #: 143 total cpu time spent up to now is 133.3 secs Computing kpt #: 144 total cpu time spent up to now is 134.2 secs Computing kpt #: 145 total cpu time spent up to now is 135.0 secs Computing kpt #: 146 total cpu time spent up to now is 135.9 secs Computing kpt #: 147 total cpu time spent up to now is 136.8 secs Computing kpt #: 148 total cpu time spent up to now is 137.6 secs Computing kpt #: 149 total cpu time spent up to now is 138.5 secs Computing kpt #: 150 total cpu time spent up to now is 139.4 secs Computing kpt #: 151 total cpu time spent up to now is 140.2 secs Computing kpt #: 152 total cpu time spent up to now is 141.1 secs Computing kpt #: 153 total cpu time spent up to now is 142.5 secs Computing kpt #: 154 total cpu time spent up to now is 143.4 secs Computing kpt #: 155 total cpu time spent up to now is 144.3 secs Computing kpt #: 156 total cpu time spent up to now is 145.2 secs Computing kpt #: 157 total cpu time spent up to now is 146.1 secs Computing kpt #: 158 total cpu time spent up to now is 147.0 secs Computing kpt #: 159 total cpu time spent up to now is 147.9 secs Computing kpt #: 160 total cpu time spent up to now is 148.9 secs Computing kpt #: 161 total cpu time spent up to now is 149.8 secs Computing kpt #: 162 total cpu time spent up to now is 150.7 secs Computing kpt #: 163 total cpu time spent up to now is 151.7 secs Computing kpt #: 164 total cpu time spent up to now is 152.6 secs Computing kpt #: 165 total cpu time spent up to now is 153.5 secs Computing kpt #: 166 total cpu time spent up to now is 154.5 secs Computing kpt #: 167 total cpu time spent up to now is 155.4 secs Computing kpt #: 168 total cpu time spent up to now is 156.4 secs Computing kpt #: 169 total cpu time spent up to now is 157.3 secs Computing kpt #: 170 total cpu time spent up to now is 158.3 secs Computing kpt #: 171 total cpu time spent up to now is 159.2 secs Computing kpt #: 172 total cpu time spent up to now is 160.2 secs Computing kpt #: 173 total cpu time spent up to now is 161.1 secs Computing kpt #: 174 total cpu time spent up to now is 162.1 secs Computing kpt #: 175 total cpu time spent up to now is 163.0 secs Computing kpt #: 176 total cpu time spent up to now is 163.9 secs Computing kpt #: 177 total cpu time spent up to now is 164.9 secs Computing kpt #: 178 total cpu time spent up to now is 165.8 secs Computing kpt #: 179 total cpu time spent up to now is 166.7 secs Computing kpt #: 180 total cpu time spent up to now is 167.7 secs Computing kpt #: 181 total cpu time spent up to now is 168.6 secs Computing kpt #: 182 total cpu time spent up to now is 169.6 secs Computing kpt #: 183 total cpu time spent up to now is 170.5 secs Computing kpt #: 184 total cpu time spent up to now is 171.5 secs Computing kpt #: 185 total cpu time spent up to now is 172.4 secs Computing kpt #: 186 total cpu time spent up to now is 173.4 secs Computing kpt #: 187 total cpu time spent up to now is 174.3 secs Computing kpt #: 188 total cpu time spent up to now is 175.3 secs Computing kpt #: 189 total cpu time spent up to now is 176.3 secs Computing kpt #: 190 total cpu time spent up to now is 177.2 secs Computing kpt #: 191 total cpu time spent up to now is 178.2 secs Computing kpt #: 192 total cpu time spent up to now is 179.1 secs Computing kpt #: 193 total cpu time spent up to now is 180.1 secs Computing kpt #: 194 total cpu time spent up to now is 181.1 secs Computing kpt #: 195 total cpu time spent up to now is 182.0 secs Computing kpt #: 196 total cpu time spent up to now is 183.0 secs Computing kpt #: 197 total cpu time spent up to now is 183.9 secs Computing kpt #: 198 total cpu time spent up to now is 184.9 secs Computing kpt #: 199 total cpu time spent up to now is 185.8 secs Computing kpt #: 200 total cpu time spent up to now is 186.8 secs Computing kpt #: 201 total cpu time spent up to now is 187.8 secs Computing kpt #: 202 total cpu time spent up to now is 188.7 secs Computing kpt #: 203 total cpu time spent up to now is 189.7 secs Computing kpt #: 204 total cpu time spent up to now is 190.6 secs Computing kpt #: 205 total cpu time spent up to now is 191.6 secs Computing kpt #: 206 total cpu time spent up to now is 192.5 secs Computing kpt #: 207 total cpu time spent up to now is 193.5 secs Computing kpt #: 208 total cpu time spent up to now is 194.5 secs Computing kpt #: 209 total cpu time spent up to now is 195.6 secs Computing kpt #: 210 total cpu time spent up to now is 196.7 secs Computing kpt #: 211 total cpu time spent up to now is 197.9 secs Computing kpt #: 212 total cpu time spent up to now is 199.0 secs Computing kpt #: 213 total cpu time spent up to now is 200.1 secs Computing kpt #: 214 total cpu time spent up to now is 201.3 secs Computing kpt #: 215 total cpu time spent up to now is 202.3 secs Computing kpt #: 216 total cpu time spent up to now is 203.2 secs Computing kpt #: 217 total cpu time spent up to now is 204.2 secs Computing kpt #: 218 total cpu time spent up to now is 205.2 secs Computing kpt #: 219 total cpu time spent up to now is 206.2 secs Computing kpt #: 220 total cpu time spent up to now is 207.2 secs Computing kpt #: 221 total cpu time spent up to now is 208.1 secs Computing kpt #: 222 total cpu time spent up to now is 209.1 secs Computing kpt #: 223 total cpu time spent up to now is 210.1 secs Computing kpt #: 224 total cpu time spent up to now is 211.0 secs Computing kpt #: 225 total cpu time spent up to now is 212.0 secs Computing kpt #: 226 total cpu time spent up to now is 213.0 secs Computing kpt #: 227 total cpu time spent up to now is 213.9 secs Computing kpt #: 228 total cpu time spent up to now is 214.9 secs Computing kpt #: 229 total cpu time spent up to now is 215.8 secs Computing kpt #: 230 total cpu time spent up to now is 216.7 secs Computing kpt #: 231 total cpu time spent up to now is 217.7 secs Computing kpt #: 232 total cpu time spent up to now is 218.6 secs Computing kpt #: 233 total cpu time spent up to now is 219.5 secs Computing kpt #: 234 total cpu time spent up to now is 220.4 secs Computing kpt #: 235 total cpu time spent up to now is 221.3 secs Computing kpt #: 236 total cpu time spent up to now is 222.2 secs Computing kpt #: 237 total cpu time spent up to now is 223.1 secs Computing kpt #: 238 total cpu time spent up to now is 224.0 secs Computing kpt #: 239 total cpu time spent up to now is 224.9 secs Computing kpt #: 240 total cpu time spent up to now is 225.8 secs Computing kpt #: 241 total cpu time spent up to now is 226.6 secs Computing kpt #: 242 total cpu time spent up to now is 227.5 secs Computing kpt #: 243 total cpu time spent up to now is 228.4 secs Computing kpt #: 244 total cpu time spent up to now is 229.2 secs Computing kpt #: 245 total cpu time spent up to now is 230.1 secs Computing kpt #: 246 total cpu time spent up to now is 231.0 secs Computing kpt #: 247 total cpu time spent up to now is 231.8 secs Computing kpt #: 248 total cpu time spent up to now is 232.7 secs Computing kpt #: 249 total cpu time spent up to now is 233.6 secs Computing kpt #: 250 total cpu time spent up to now is 234.5 secs Computing kpt #: 251 total cpu time spent up to now is 235.3 secs Computing kpt #: 252 total cpu time spent up to now is 236.2 secs Computing kpt #: 253 total cpu time spent up to now is 237.1 secs Computing kpt #: 254 total cpu time spent up to now is 238.0 secs Computing kpt #: 255 total cpu time spent up to now is 238.9 secs Computing kpt #: 256 total cpu time spent up to now is 239.8 secs Computing kpt #: 257 total cpu time spent up to now is 240.7 secs Computing kpt #: 258 total cpu time spent up to now is 241.6 secs Computing kpt #: 259 total cpu time spent up to now is 242.6 secs Computing kpt #: 260 total cpu time spent up to now is 243.5 secs Computing kpt #: 261 total cpu time spent up to now is 244.4 secs Computing kpt #: 262 total cpu time spent up to now is 245.4 secs Computing kpt #: 263 total cpu time spent up to now is 246.3 secs Computing kpt #: 264 total cpu time spent up to now is 247.3 secs Computing kpt #: 265 total cpu time spent up to now is 248.2 secs Computing kpt #: 266 total cpu time spent up to now is 249.2 secs Computing kpt #: 267 total cpu time spent up to now is 250.1 secs Computing kpt #: 268 total cpu time spent up to now is 251.1 secs Computing kpt #: 269 total cpu time spent up to now is 252.1 secs Computing kpt #: 270 total cpu time spent up to now is 253.1 secs Computing kpt #: 271 total cpu time spent up to now is 254.1 secs ethr = 2.00E-08, avg # of iterations = 15.6 total cpu time spent up to now is 254.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 12585 PWs) bands (ev): -41.4402 -41.4402 -22.3120 -22.3120 -21.2202 -21.2202 -21.1799 -21.1799 -21.1701 -21.1701 -20.5061 -20.5061 -20.5059 -20.5059 -7.8289 -7.8289 -4.8872 -4.8872 -4.7264 -4.7264 -4.5766 -4.5766 -2.9297 -2.9297 -2.7872 -2.7872 -2.7604 -2.7604 -2.0187 -2.0187 -2.0178 -2.0178 -1.8459 -1.8459 -1.4824 -1.4824 -1.4702 -1.4702 -1.3403 -1.3403 -1.3017 -1.3017 -1.2980 -1.2980 -1.2258 -1.2258 -0.9198 -0.9198 -0.8967 -0.8967 4.8016 4.8016 10.2628 10.2628 10.4389 10.4389 10.9561 10.9561 11.2404 11.2404 k = 0.0135-0.0088-0.0061 ( 12568 PWs) bands (ev): -41.4402 -41.4402 -22.3118 -22.3118 -21.2203 -21.2203 -21.1800 -21.1800 -21.1702 -21.1702 -20.5062 -20.5062 -20.5060 -20.5060 -7.8287 -7.8287 -4.8869 -4.8869 -4.7260 -4.7260 -4.5764 -4.5764 -2.9291 -2.9291 -2.7868 -2.7868 -2.7601 -2.7601 -2.0201 -2.0201 -2.0189 -2.0189 -1.8446 -1.8446 -1.4828 -1.4828 -1.4704 -1.4704 -1.3408 -1.3408 -1.3029 -1.3029 -1.2991 -1.2991 -1.2244 -1.2244 -0.9198 -0.9198 -0.8968 -0.8968 4.8032 4.8032 10.2604 10.2604 10.4388 10.4388 10.9588 10.9588 11.2425 11.2425 k = 0.0270-0.0176-0.0122 ( 12566 PWs) bands (ev): -41.4402 -41.4402 -22.3112 -22.3112 -21.2203 -21.2203 -21.1801 -21.1801 -21.1705 -21.1705 -20.5064 -20.5064 -20.5062 -20.5062 -7.8278 -7.8278 -4.8860 -4.8860 -4.7251 -4.7251 -4.5757 -4.5757 -2.9274 -2.9274 -2.7859 -2.7859 -2.7589 -2.7589 -2.0249 -2.0249 -2.0213 -2.0213 -1.8409 -1.8409 -1.4839 -1.4839 -1.4711 -1.4711 -1.3424 -1.3424 -1.3078 -1.3078 -1.3007 -1.3007 -1.2205 -1.2205 -0.9200 -0.9200 -0.8971 -0.8971 4.8079 4.8079 10.2529 10.2529 10.4390 10.4390 10.9666 10.9666 11.2488 11.2488 k = 0.0405-0.0264-0.0182 ( 12558 PWs) bands (ev): -41.4402 -41.4402 -22.3101 -22.3101 -21.2204 -21.2204 -21.1803 -21.1803 -21.1709 -21.1709 -20.5069 -20.5069 -20.5065 -20.5065 -7.8265 -7.8265 -4.8845 -4.8845 -4.7234 -4.7234 -4.5747 -4.5747 -2.9245 -2.9245 -2.7847 -2.7847 -2.7568 -2.7568 -2.0326 -2.0326 -2.0253 -2.0253 -1.8352 -1.8352 -1.4861 -1.4861 -1.4721 -1.4721 -1.3453 -1.3453 -1.3158 -1.3158 -1.3022 -1.3022 -1.2150 -1.2150 -0.9204 -0.9204 -0.8975 -0.8975 4.8157 4.8157 10.2404 10.2404 10.4403 10.4403 10.9784 10.9784 11.2595 11.2595 k = 0.0541-0.0351-0.0243 ( 12551 PWs) bands (ev): -41.4402 -41.4402 -22.3087 -22.3087 -21.2206 -21.2206 -21.1806 -21.1806 -21.1713 -21.1713 -20.5076 -20.5076 -20.5069 -20.5069 -7.8245 -7.8245 -4.8826 -4.8826 -4.7211 -4.7211 -4.5732 -4.5732 -2.9205 -2.9205 -2.7835 -2.7835 -2.7534 -2.7534 -2.0427 -2.0427 -2.0308 -2.0308 -1.8278 -1.8278 -1.4895 -1.4895 -1.4733 -1.4733 -1.3502 -1.3502 -1.3250 -1.3250 -1.3038 -1.3038 -1.2086 -1.2086 -0.9209 -0.9209 -0.8981 -0.8981 4.8266 4.8266 10.2230 10.2230 10.4436 10.4436 10.9927 10.9927 11.2750 11.2750 k = 0.0676-0.0439-0.0304 ( 12545 PWs) bands (ev): -41.4402 -41.4402 -22.3068 -22.3068 -21.2210 -21.2210 -21.1812 -21.1812 -21.1717 -21.1717 -20.5086 -20.5086 -20.5074 -20.5074 -7.8221 -7.8221 -4.8802 -4.8802 -4.7181 -4.7181 -4.5711 -4.5711 -2.9154 -2.9154 -2.7825 -2.7825 -2.7484 -2.7484 -2.0549 -2.0549 -2.0377 -2.0377 -1.8193 -1.8193 -1.4945 -1.4945 -1.4745 -1.4745 -1.3580 -1.3580 -1.3336 -1.3336 -1.3056 -1.3056 -1.2018 -1.2018 -0.9216 -0.9216 -0.8989 -0.8989 4.8403 4.8403 10.2011 10.2011 10.4495 10.4495 11.0081 11.0081 11.2955 11.2955 k = 0.0811-0.0527-0.0365 ( 12539 PWs) bands (ev): -41.4402 -41.4402 -22.3045 -22.3045 -21.2215 -21.2215 -21.1820 -21.1820 -21.1719 -21.1719 -20.5097 -20.5097 -20.5080 -20.5080 -7.8192 -7.8192 -4.8775 -4.8775 -4.7143 -4.7143 -4.5685 -4.5685 -2.9093 -2.9093 -2.7819 -2.7819 -2.7417 -2.7417 -2.0687 -2.0687 -2.0460 -2.0460 -1.8099 -1.8099 -1.5013 -1.5013 -1.4758 -1.4758 -1.3694 -1.3694 -1.3406 -1.3406 -1.3075 -1.3075 -1.1949 -1.1949 -0.9225 -0.9225 -0.8999 -0.8999 4.8569 4.8569 10.1756 10.1756 10.4582 10.4582 11.0233 11.0233 11.3209 11.3209 k = 0.0946-0.0615-0.0425 ( 12541 PWs) bands (ev): -41.4402 -41.4402 -22.3019 -22.3019 -21.2223 -21.2223 -21.1831 -21.1831 -21.1719 -21.1719 -20.5110 -20.5110 -20.5087 -20.5087 -7.8157 -7.8157 -4.8745 -4.8745 -4.7098 -4.7098 -4.5652 -4.5652 -2.9021 -2.9021 -2.7818 -2.7818 -2.7333 -2.7333 -2.0838 -2.0838 -2.0557 -2.0557 -1.8000 -1.8000 -1.5101 -1.5101 -1.4773 -1.4773 -1.3835 -1.3835 -1.3462 -1.3462 -1.3095 -1.3095 -1.1879 -1.1879 -0.9236 -0.9236 -0.9010 -0.9010 4.8763 4.8763 10.1474 10.1474 10.4696 10.4696 11.0378 11.0378 11.3510 11.3510 k = 0.1081-0.0703-0.0486 ( 12543 PWs) bands (ev): -41.4402 -41.4402 -22.2988 -22.2988 -21.2234 -21.2234 -21.1843 -21.1843 -21.1716 -21.1716 -20.5125 -20.5125 -20.5094 -20.5094 -7.8118 -7.8118 -4.8716 -4.8716 -4.7044 -4.7044 -4.5613 -4.5613 -2.8940 -2.8940 -2.7820 -2.7820 -2.7233 -2.7233 -2.1000 -2.1000 -2.0667 -2.0667 -1.7899 -1.7899 -1.5211 -1.5211 -1.4791 -1.4791 -1.3989 -1.3989 -1.3511 -1.3511 -1.3114 -1.3114 -1.1809 -1.1809 -0.9249 -0.9249 -0.9023 -0.9023 4.8981 4.8981 10.1173 10.1173 10.4834 10.4834 11.0511 11.0511 11.3850 11.3850 k = 0.1216-0.0791-0.0547 ( 12545 PWs) bands (ev): -41.4402 -41.4402 -22.2954 -22.2954 -21.2250 -21.2250 -21.1855 -21.1855 -21.1712 -21.1712 -20.5142 -20.5142 -20.5103 -20.5103 -7.8074 -7.8074 -4.8687 -4.8687 -4.6982 -4.6982 -4.5565 -4.5565 -2.8849 -2.8849 -2.7824 -2.7824 -2.7120 -2.7120 -2.1171 -2.1171 -2.0789 -2.0789 -1.7796 -1.7796 -1.5347 -1.5347 -1.4815 -1.4815 -1.4147 -1.4147 -1.3557 -1.3557 -1.3133 -1.3133 -1.1740 -1.1740 -0.9265 -0.9265 -0.9037 -0.9037 4.9224 4.9224 10.0861 10.0861 10.4994 10.4994 11.0634 11.0634 11.4221 11.4221 k = 0.1351-0.0879-0.0608 ( 12534 PWs) bands (ev): -41.4402 -41.4402 -22.2917 -22.2917 -21.2271 -21.2271 -21.1866 -21.1866 -21.1705 -21.1705 -20.5160 -20.5160 -20.5112 -20.5112 -7.8026 -7.8026 -4.8661 -4.8661 -4.6910 -4.6910 -4.5509 -4.5509 -2.8751 -2.8751 -2.7829 -2.7829 -2.6994 -2.6994 -2.1348 -2.1348 -2.0923 -2.0923 -1.7695 -1.7695 -1.5509 -1.5509 -1.4850 -1.4850 -1.4300 -1.4300 -1.3599 -1.3599 -1.3150 -1.3150 -1.1673 -1.1673 -0.9284 -0.9284 -0.9053 -0.9053 4.9488 4.9488 10.0543 10.0543 10.5172 10.5172 11.0749 11.0749 11.4612 11.4612 k = 0.1486-0.0967-0.0669 ( 12542 PWs) bands (ev): -41.4402 -41.4402 -22.2876 -22.2876 -21.2298 -21.2298 -21.1875 -21.1875 -21.1697 -21.1697 -20.5180 -20.5180 -20.5123 -20.5123 -7.7974 -7.7974 -4.8638 -4.8638 -4.6830 -4.6830 -4.5444 -4.5444 -2.8645 -2.8645 -2.7836 -2.7836 -2.6856 -2.6856 -2.1528 -2.1528 -2.1067 -2.1067 -1.7595 -1.7595 -1.5700 -1.5700 -1.4902 -1.4902 -1.4438 -1.4438 -1.3639 -1.3639 -1.3166 -1.3166 -1.1606 -1.1606 -0.9305 -0.9305 -0.9071 -0.9071 4.9772 4.9772 10.0225 10.0225 10.5367 10.5367 11.0860 11.0860 11.5014 11.5014 k = 0.1622-0.1054-0.0729 ( 12558 PWs) bands (ev): -41.4402 -41.4402 -22.2832 -22.2832 -21.2331 -21.2331 -21.1882 -21.1882 -21.1687 -21.1687 -20.5201 -20.5201 -20.5133 -20.5133 -7.7919 -7.7919 -4.8620 -4.8620 -4.6740 -4.6740 -4.5369 -4.5369 -2.8533 -2.8533 -2.7842 -2.7842 -2.6709 -2.6709 -2.1710 -2.1710 -2.1220 -2.1220 -1.7500 -1.7500 -1.5917 -1.5917 -1.4980 -1.4980 -1.4551 -1.4551 -1.3674 -1.3674 -1.3181 -1.3181 -1.1540 -1.1540 -0.9328 -0.9328 -0.9091 -0.9091 5.0074 5.0074 9.9910 9.9910 10.5574 10.5574 11.0970 11.0970 11.5417 11.5417 k = 0.1757-0.1142-0.0790 ( 12564 PWs) bands (ev): -41.4402 -41.4402 -22.2786 -22.2786 -21.2370 -21.2370 -21.1886 -21.1886 -21.1677 -21.1677 -20.5223 -20.5223 -20.5145 -20.5145 -7.7860 -7.7860 -4.8607 -4.8607 -4.6641 -4.6641 -4.5284 -4.5284 -2.8417 -2.8417 -2.7849 -2.7849 -2.6554 -2.6554 -2.1890 -2.1890 -2.1382 -2.1382 -1.7411 -1.7411 -1.6161 -1.6161 -1.5090 -1.5090 -1.4633 -1.4633 -1.3704 -1.3704 -1.3193 -1.3193 -1.1476 -1.1476 -0.9354 -0.9354 -0.9112 -0.9112 5.0391 5.0391 9.9600 9.9600 10.5791 10.5791 11.1082 11.1082 11.5811 11.5811 k = 0.1892-0.1230-0.0851 ( 12556 PWs) bands (ev): -41.4402 -41.4402 -22.2737 -22.2737 -21.2415 -21.2415 -21.1887 -21.1887 -21.1664 -21.1664 -20.5247 -20.5247 -20.5157 -20.5157 -7.7798 -7.7798 -4.8600 -4.8600 -4.6534 -4.6534 -4.5188 -4.5188 -2.8299 -2.8299 -2.7855 -2.7855 -2.6391 -2.6391 -2.2065 -2.2065 -2.1552 -2.1552 -1.7330 -1.7330 -1.6426 -1.6426 -1.5226 -1.5226 -1.4691 -1.4691 -1.3730 -1.3730 -1.3204 -1.3204 -1.1413 -1.1413 -0.9382 -0.9382 -0.9135 -0.9135 5.0722 5.0722 9.9299 9.9299 10.6015 10.6015 11.1200 11.1200 11.6186 11.6186 k = 0.2027-0.1318-0.0912 ( 12558 PWs) bands (ev): -41.4402 -41.4402 -22.2685 -22.2685 -21.2464 -21.2464 -21.1885 -21.1885 -21.1651 -21.1651 -20.5271 -20.5271 -20.5169 -20.5169 -7.7734 -7.7734 -4.8599 -4.8599 -4.6419 -4.6419 -4.5081 -4.5081 -2.8182 -2.8182 -2.7859 -2.7859 -2.6223 -2.6223 -2.2231 -2.2231 -2.1728 -2.1728 -1.7260 -1.7260 -1.6709 -1.6709 -1.5378 -1.5378 -1.4734 -1.4734 -1.3749 -1.3749 -1.3212 -1.3212 -1.1352 -1.1352 -0.9413 -0.9413 -0.9160 -0.9160 5.1063 5.1063 9.9007 9.9007 10.6242 10.6242 11.1326 11.1326 11.6533 11.6533 k = 0.2162-0.1406-0.0972 ( 12552 PWs) bands (ev): -41.4402 -41.4402 -22.2632 -22.2632 -21.2518 -21.2518 -21.1882 -21.1882 -21.1637 -21.1637 -20.5296 -20.5296 -20.5182 -20.5182 -7.7668 -7.7668 -4.8604 -4.8604 -4.6298 -4.6298 -4.4963 -4.4963 -2.8075 -2.8075 -2.7856 -2.7856 -2.6052 -2.6052 -2.2382 -2.2382 -2.1910 -2.1910 -1.7213 -1.7213 -1.6995 -1.6995 -1.5542 -1.5542 -1.4770 -1.4770 -1.3763 -1.3763 -1.3218 -1.3218 -1.1292 -1.1292 -0.9445 -0.9445 -0.9186 -0.9186 5.1412 5.1412 9.8727 9.8727 10.6471 10.6471 11.1462 11.1462 11.6843 11.6843 k = 0.2297-0.1494-0.1033 ( 12537 PWs) bands (ev): -41.4402 -41.4402 -22.2577 -22.2577 -21.2576 -21.2576 -21.1878 -21.1878 -21.1622 -21.1622 -20.5322 -20.5322 -20.5195 -20.5195 -7.7600 -7.7600 -4.8614 -4.8614 -4.6172 -4.6172 -4.4834 -4.4834 -2.8004 -2.8004 -2.7823 -2.7823 -2.5877 -2.5877 -2.2514 -2.2514 -2.2096 -2.2096 -1.7360 -1.7360 -1.7116 -1.7116 -1.5712 -1.5712 -1.4802 -1.4802 -1.3770 -1.3770 -1.3222 -1.3222 -1.1234 -1.1234 -0.9480 -0.9480 -0.9214 -0.9214 5.1767 5.1767 9.8459 9.8459 10.6699 10.6699 11.1609 11.1609 11.7109 11.7109 k = 0.2432-0.1582-0.1094 ( 12536 PWs) bands (ev): -41.4402 -41.4402 -22.2521 -22.2521 -21.2636 -21.2636 -21.1872 -21.1872 -21.1606 -21.1606 -20.5349 -20.5349 -20.5208 -20.5208 -7.7531 -7.7531 -4.8630 -4.8630 -4.6042 -4.6042 -4.4694 -4.4694 -2.7989 -2.7989 -2.7742 -2.7742 -2.5702 -2.5702 -2.2623 -2.2623 -2.2286 -2.2286 -1.7672 -1.7672 -1.7095 -1.7095 -1.5886 -1.5886 -1.4831 -1.4831 -1.3771 -1.3771 -1.3222 -1.3222 -1.1179 -1.1179 -0.9516 -0.9516 -0.9242 -0.9242 5.2125 5.2125 9.8204 9.8204 10.6923 10.6923 11.1770 11.1770 11.7325 11.7325 k = 0.2568-0.1670-0.1155 ( 12538 PWs) bands (ev): -41.4402 -41.4402 -22.2463 -22.2463 -21.2698 -21.2698 -21.1866 -21.1866 -21.1590 -21.1590 -20.5375 -20.5375 -20.5222 -20.5222 -7.7462 -7.7462 -4.8649 -4.8649 -4.5910 -4.5910 -4.4544 -4.4544 -2.8011 -2.8011 -2.7639 -2.7639 -2.5526 -2.5526 -2.2702 -2.2702 -2.2477 -2.2477 -1.8003 -1.8003 -1.7084 -1.7084 -1.6061 -1.6061 -1.4857 -1.4857 -1.3765 -1.3765 -1.3220 -1.3220 -1.1125 -1.1125 -0.9555 -0.9555 -0.9271 -0.9271 5.2484 5.2484 9.7963 9.7963 10.7141 10.7141 11.1944 11.1944 11.7485 11.7485 k = 0.2703-0.1757-0.1216 ( 12550 PWs) bands (ev): -41.4402 -41.4402 -22.2405 -22.2405 -21.2762 -21.2762 -21.1859 -21.1859 -21.1573 -21.1573 -20.5402 -20.5402 -20.5235 -20.5235 -7.7392 -7.7392 -4.8673 -4.8673 -4.5777 -4.5777 -4.4385 -4.4385 -2.8054 -2.8054 -2.7531 -2.7531 -2.5349 -2.5349 -2.2755 -2.2755 -2.2661 -2.2661 -1.8342 -1.8342 -1.7095 -1.7095 -1.6234 -1.6234 -1.4882 -1.4882 -1.3752 -1.3752 -1.3216 -1.3216 -1.1074 -1.1074 -0.9596 -0.9596 -0.9300 -0.9300 5.2840 5.2840 9.7736 9.7736 10.7351 10.7351 11.2131 11.2131 11.7587 11.7587 k = 0.2838-0.1845-0.1276 ( 12557 PWs) bands (ev): -41.4402 -41.4402 -22.2347 -22.2347 -21.2827 -21.2827 -21.1852 -21.1852 -21.1555 -21.1555 -20.5429 -20.5429 -20.5248 -20.5248 -7.7323 -7.7323 -4.8700 -4.8700 -4.5644 -4.5644 -4.4216 -4.4216 -2.8116 -2.8116 -2.7425 -2.7425 -2.5172 -2.5172 -2.2876 -2.2876 -2.2741 -2.2741 -1.8683 -1.8683 -1.7133 -1.7133 -1.6401 -1.6401 -1.4904 -1.4904 -1.3734 -1.3734 -1.3208 -1.3208 -1.1026 -1.1026 -0.9638 -0.9638 -0.9329 -0.9329 5.3193 5.3193 9.7523 9.7523 10.7553 10.7553 11.2331 11.2331 11.7632 11.7632 k = 0.2973-0.1933-0.1337 ( 12559 PWs) bands (ev): -41.4402 -41.4402 -22.2289 -22.2289 -21.2892 -21.2892 -21.1845 -21.1845 -21.1538 -21.1538 -20.5455 -20.5455 -20.5261 -20.5261 -7.7254 -7.7254 -4.8729 -4.8729 -4.5512 -4.5512 -4.4041 -4.4041 -2.8198 -2.8198 -2.7320 -2.7320 -2.4993 -2.4993 -2.3061 -2.3061 -2.2718 -2.2718 -1.9026 -1.9026 -1.7205 -1.7205 -1.6555 -1.6555 -1.4924 -1.4924 -1.3710 -1.3710 -1.3198 -1.3198 -1.0980 -1.0980 -0.9683 -0.9683 -0.9356 -0.9356 5.3538 5.3538 9.7325 9.7325 10.7747 10.7747 11.2542 11.2542 11.7623 11.7623 k = 0.3108-0.2021-0.1398 ( 12558 PWs) bands (ev): -41.4402 -41.4402 -22.2232 -22.2232 -21.2956 -21.2956 -21.1837 -21.1837 -21.1520 -21.1520 -20.5481 -20.5481 -20.5274 -20.5274 -7.7187 -7.7187 -4.8759 -4.8759 -4.5383 -4.5383 -4.3860 -4.3860 -2.8299 -2.8299 -2.7217 -2.7217 -2.4812 -2.4812 -2.3246 -2.3246 -2.2657 -2.2657 -1.9368 -1.9368 -1.7315 -1.7315 -1.6693 -1.6693 -1.4940 -1.4940 -1.3681 -1.3681 -1.3185 -1.3185 -1.0938 -1.0938 -0.9730 -0.9730 -0.9382 -0.9382 5.3874 5.3874 9.7142 9.7142 10.7931 10.7931 11.2762 11.2762 11.7563 11.7563 k = 0.3243-0.2109-0.1459 ( 12565 PWs) bands (ev): -41.4402 -41.4402 -22.2176 -22.2176 -21.3019 -21.3019 -21.1830 -21.1830 -21.1502 -21.1502 -20.5506 -20.5506 -20.5286 -20.5286 -7.7122 -7.7122 -4.8791 -4.8791 -4.5258 -4.5258 -4.3676 -4.3676 -2.8420 -2.8420 -2.7113 -2.7113 -2.4626 -2.4626 -2.3425 -2.3425 -2.2566 -2.2566 -1.9706 -1.9706 -1.7462 -1.7462 -1.6816 -1.6816 -1.4953 -1.4953 -1.3649 -1.3649 -1.3168 -1.3168 -1.0899 -1.0899 -0.9778 -0.9778 -0.9407 -0.9407 5.4199 5.4199 9.6973 9.6973 10.8107 10.8107 11.2988 11.2988 11.7460 11.7460 k = 0.3378-0.2197-0.1519 ( 12558 PWs) bands (ev): -41.4402 -41.4402 -22.2121 -22.2121 -21.3081 -21.3081 -21.1823 -21.1823 -21.1485 -21.1485 -20.5530 -20.5530 -20.5298 -20.5298 -7.7059 -7.7059 -4.8823 -4.8823 -4.5137 -4.5137 -4.3490 -4.3490 -2.8558 -2.8558 -2.7008 -2.7008 -2.4438 -2.4438 -2.3595 -2.3595 -2.2451 -2.2451 -2.0036 -2.0036 -1.7636 -1.7636 -1.6930 -1.6930 -1.4963 -1.4963 -1.3615 -1.3615 -1.3148 -1.3148 -1.0863 -1.0863 -0.9828 -0.9828 -0.9429 -0.9429 5.4509 5.4509 9.6818 9.6818 10.8274 10.8274 11.3217 11.3217 11.7320 11.7320 k = 0.3514-0.2285-0.1580 ( 12553 PWs) bands (ev): -41.4402 -41.4402 -22.2069 -22.2069 -21.3140 -21.3140 -21.1817 -21.1817 -21.1469 -21.1469 -20.5553 -20.5553 -20.5309 -20.5309 -7.6999 -7.6999 -4.8854 -4.8854 -4.5021 -4.5021 -4.3304 -4.3304 -2.8709 -2.8709 -2.6899 -2.6899 -2.4255 -2.4255 -2.3745 -2.3745 -2.2322 -2.2322 -2.0355 -2.0355 -1.7830 -1.7830 -1.7041 -1.7041 -1.4971 -1.4971 -1.3581 -1.3581 -1.3125 -1.3125 -1.0831 -1.0831 -0.9878 -0.9878 -0.9449 -0.9449 5.4804 5.4804 9.6678 9.6678 10.8434 10.8434 11.3446 11.3446 11.7152 11.7152 k = 0.3649-0.2373-0.1641 ( 12555 PWs) bands (ev): -41.4402 -41.4402 -22.2019 -22.2019 -21.3197 -21.3197 -21.1811 -21.1811 -21.1453 -21.1453 -20.5575 -20.5575 -20.5319 -20.5319 -7.6942 -7.6942 -4.8885 -4.8885 -4.4912 -4.4912 -4.3122 -4.3122 -2.8869 -2.8869 -2.6788 -2.6788 -2.4123 -2.4123 -2.3828 -2.3828 -2.2187 -2.2187 -2.0655 -2.0655 -1.8036 -1.8036 -1.7153 -1.7153 -1.4976 -1.4976 -1.3547 -1.3547 -1.3098 -1.3098 -1.0803 -1.0803 -0.9928 -0.9928 -0.9466 -0.9466 5.5080 5.5080 9.6552 9.6552 10.8586 10.8586 11.3671 11.3671 11.6963 11.6963 k = 0.3784-0.2460-0.1702 ( 12559 PWs) bands (ev): -41.4402 -41.4402 -22.1972 -22.1972 -21.3250 -21.3250 -21.1805 -21.1805 -21.1438 -21.1438 -20.5595 -20.5595 -20.5329 -20.5329 -7.6890 -7.6890 -4.8914 -4.8914 -4.4810 -4.4810 -4.2945 -4.2945 -2.9032 -2.9032 -2.6673 -2.6673 -2.4155 -2.4155 -2.3731 -2.3731 -2.2067 -2.2067 -2.0921 -2.0921 -1.8250 -1.8250 -1.7270 -1.7270 -1.4979 -1.4979 -1.3516 -1.3516 -1.3068 -1.3068 -1.0778 -1.0778 -0.9978 -0.9978 -0.9482 -0.9482 5.5336 5.5336 9.6439 9.6439 10.8730 10.8730 11.3887 11.3887 11.6761 11.6761 k = 0.3919-0.2548-0.1763 ( 12567 PWs) bands (ev): -41.4402 -41.4402 -22.1929 -22.1929 -21.3299 -21.3299 -21.1800 -21.1800 -21.1424 -21.1424 -20.5614 -20.5614 -20.5338 -20.5338 -7.6841 -7.6841 -4.8942 -4.8942 -4.4715 -4.4715 -4.2776 -4.2776 -2.9195 -2.9195 -2.6556 -2.6556 -2.4263 -2.4263 -2.3543 -2.3543 -2.1996 -2.1996 -2.1120 -2.1120 -1.8467 -1.8467 -1.7390 -1.7390 -1.4981 -1.4981 -1.3487 -1.3487 -1.3035 -1.3035 -1.0757 -1.0757 -1.0026 -1.0026 -0.9494 -0.9494 5.5571 5.5571 9.6339 9.6339 10.8866 10.8866 11.4092 11.4092 11.6554 11.6554 k = 0.4054-0.2636-0.1823 ( 12568 PWs) bands (ev): -41.4402 -41.4402 -22.1890 -22.1890 -21.3344 -21.3344 -21.1795 -21.1795 -21.1411 -21.1411 -20.5631 -20.5631 -20.5346 -20.5346 -7.6798 -7.6798 -4.8967 -4.8967 -4.4629 -4.4629 -4.2618 -4.2618 -2.9353 -2.9353 -2.6437 -2.6437 -2.4373 -2.4373 -2.3338 -2.3338 -2.2030 -2.2030 -2.1198 -2.1198 -1.8684 -1.8684 -1.7511 -1.7511 -1.4981 -1.4981 -1.3462 -1.3462 -1.3001 -1.3001 -1.0739 -1.0739 -1.0072 -1.0072 -0.9505 -0.9505 5.5782 5.5782 9.6252 9.6252 10.8994 10.8994 11.4282 11.4282 11.6350 11.6350 k = 0.4189-0.2724-0.1884 ( 12566 PWs) bands (ev): -41.4402 -41.4402 -22.1854 -22.1854 -21.3384 -21.3384 -21.1791 -21.1791 -21.1400 -21.1400 -20.5646 -20.5646 -20.5353 -20.5353 -7.6759 -7.6759 -4.8990 -4.8990 -4.4553 -4.4553 -4.2474 -4.2474 -2.9500 -2.9500 -2.6320 -2.6320 -2.4471 -2.4471 -2.3132 -2.3132 -2.2172 -2.2172 -2.1154 -2.1154 -1.8897 -1.8897 -1.7633 -1.7633 -1.4981 -1.4981 -1.3441 -1.3441 -1.2967 -1.2967 -1.0725 -1.0725 -1.0115 -1.0115 -0.9514 -0.9514 5.5968 5.5968 9.6178 9.6178 10.9112 10.9112 11.4453 11.4453 11.6155 11.6155 k = 0.4324-0.2812-0.1945 ( 12577 PWs) bands (ev): -41.4402 -41.4402 -22.1824 -22.1824 -21.3419 -21.3419 -21.1788 -21.1788 -21.1390 -21.1390 -20.5659 -20.5659 -20.5360 -20.5360 -7.6726 -7.6726 -4.9010 -4.9010 -4.4487 -4.4487 -4.2347 -4.2347 -2.9632 -2.9632 -2.6209 -2.6209 -2.4552 -2.4552 -2.2934 -2.2934 -2.2360 -2.2360 -2.1050 -2.1050 -1.9101 -1.9101 -1.7750 -1.7750 -1.4981 -1.4981 -1.3423 -1.3423 -1.2934 -1.2934 -1.0713 -1.0713 -1.0153 -1.0153 -0.9521 -0.9521 5.6127 5.6127 9.6116 9.6116 10.9219 10.9219 11.4601 11.4601 11.5977 11.5977 k = 0.4459-0.2900-0.2006 ( 12575 PWs) bands (ev): -41.4402 -41.4402 -22.1798 -22.1798 -21.3448 -21.3448 -21.1785 -21.1785 -21.1382 -21.1382 -20.5670 -20.5670 -20.5365 -20.5365 -7.6698 -7.6698 -4.9026 -4.9026 -4.4432 -4.4432 -4.2238 -4.2238 -2.9746 -2.9746 -2.6107 -2.6107 -2.4614 -2.4614 -2.2753 -2.2753 -2.2548 -2.2548 -2.0930 -2.0930 -1.9290 -1.9290 -1.7859 -1.7859 -1.4980 -1.4980 -1.3410 -1.3410 -1.2904 -1.2904 -1.0704 -1.0704 -1.0185 -1.0185 -0.9526 -0.9526 5.6259 5.6259 9.6065 9.6065 10.9311 10.9311 11.4724 11.4724 11.5824 11.5824 k = 0.4595-0.2988-0.2066 ( 12567 PWs) bands (ev): -41.4402 -41.4402 -22.1778 -22.1778 -21.3470 -21.3470 -21.1783 -21.1783 -21.1375 -21.1375 -20.5678 -20.5678 -20.5369 -20.5369 -7.6676 -7.6676 -4.9039 -4.9039 -4.4389 -4.4389 -4.2151 -4.2151 -2.9839 -2.9839 -2.6020 -2.6020 -2.4657 -2.4657 -2.2734 -2.2734 -2.2576 -2.2576 -2.0817 -2.0817 -1.9457 -1.9457 -1.7953 -1.7953 -1.4980 -1.4980 -1.3399 -1.3399 -1.2879 -1.2879 -1.0698 -1.0698 -1.0212 -1.0212 -0.9530 -0.9530 5.6363 5.6363 9.6026 9.6026 10.9386 10.9386 11.4820 11.4820 11.5699 11.5699 k = 0.4730-0.3076-0.2127 ( 12575 PWs) bands (ev): -41.4402 -41.4402 -22.1764 -22.1764 -21.3487 -21.3487 -21.1781 -21.1781 -21.1371 -21.1371 -20.5684 -20.5684 -20.5372 -20.5372 -7.6660 -7.6660 -4.9049 -4.9049 -4.4358 -4.4358 -4.2088 -4.2088 -2.9907 -2.9907 -2.5954 -2.5954 -2.4683 -2.4683 -2.2863 -2.2863 -2.2452 -2.2452 -2.0725 -2.0725 -1.9591 -1.9591 -1.8028 -1.8028 -1.4979 -1.4979 -1.3392 -1.3392 -1.2860 -1.2860 -1.0694 -1.0694 -1.0231 -1.0231 -0.9533 -0.9533 5.6438 5.6438 9.5999 9.5999 10.9443 10.9443 11.4886 11.4886 11.5610 11.5610 k = 0.4865-0.3163-0.2188 ( 12569 PWs) bands (ev): -41.4402 -41.4402 -22.1755 -22.1755 -21.3497 -21.3497 -21.1780 -21.1780 -21.1368 -21.1368 -20.5688 -20.5688 -20.5373 -20.5373 -7.6651 -7.6651 -4.9054 -4.9054 -4.4339 -4.4339 -4.2049 -4.2049 -2.9949 -2.9949 -2.5913 -2.5913 -2.4696 -2.4696 -2.2949 -2.2949 -2.2370 -2.2370 -2.0663 -2.0663 -1.9679 -1.9679 -1.8076 -1.8076 -1.4979 -1.4979 -1.3387 -1.3387 -1.2848 -1.2848 -1.0691 -1.0691 -1.0243 -1.0243 -0.9534 -0.9534 5.6483 5.6483 9.5982 9.5982 10.9478 10.9478 11.4924 11.4924 11.5557 11.5557 k = 0.5000-0.3251-0.2249 ( 12574 PWs) bands (ev): -41.4402 -41.4402 -22.1752 -22.1752 -21.3500 -21.3500 -21.1780 -21.1780 -21.1367 -21.1367 -20.5689 -20.5689 -20.5374 -20.5374 -7.6648 -7.6648 -4.9056 -4.9056 -4.4332 -4.4332 -4.2036 -4.2036 -2.9963 -2.9963 -2.5899 -2.5899 -2.4699 -2.4699 -2.2979 -2.2979 -2.2341 -2.2341 -2.0642 -2.0642 -1.9710 -1.9710 -1.8092 -1.8092 -1.4979 -1.4979 -1.3386 -1.3386 -1.2844 -1.2844 -1.0690 -1.0690 -1.0247 -1.0247 -0.9535 -0.9535 5.6498 5.6498 9.5977 9.5977 10.9489 10.9489 11.4936 11.4936 11.5539 11.5539 k = 0.5000-0.3251-0.2249 ( 12574 PWs) bands (ev): -41.4402 -41.4402 -22.1752 -22.1752 -21.3500 -21.3500 -21.1780 -21.1780 -21.1367 -21.1367 -20.5689 -20.5689 -20.5374 -20.5374 -7.6648 -7.6648 -4.9056 -4.9056 -4.4332 -4.4332 -4.2036 -4.2036 -2.9963 -2.9963 -2.5899 -2.5899 -2.4699 -2.4699 -2.2979 -2.2979 -2.2341 -2.2341 -2.0642 -2.0642 -1.9710 -1.9710 -1.8092 -1.8092 -1.4979 -1.4979 -1.3386 -1.3386 -1.2844 -1.2844 -1.0690 -1.0690 -1.0247 -1.0247 -0.9535 -0.9535 5.6498 5.6498 9.5977 9.5977 10.9489 10.9489 11.4936 11.4936 11.5539 11.5539 k = 0.5000-0.3156-0.2386 ( 12564 PWs) bands (ev): -41.4402 -41.4402 -22.1751 -22.1751 -21.3499 -21.3499 -21.1781 -21.1781 -21.1369 -21.1369 -20.5689 -20.5689 -20.5374 -20.5374 -7.6645 -7.6645 -4.9051 -4.9051 -4.4334 -4.4334 -4.2040 -4.2040 -2.9959 -2.9959 -2.5902 -2.5902 -2.4706 -2.4706 -2.3004 -2.3004 -2.2330 -2.2330 -2.0626 -2.0626 -1.9703 -1.9703 -1.8087 -1.8087 -1.4982 -1.4982 -1.3389 -1.3389 -1.2851 -1.2851 -1.0688 -1.0688 -1.0247 -1.0247 -0.9537 -0.9537 5.6504 5.6504 9.5984 9.5984 10.9464 10.9464 11.4718 11.4718 11.5788 11.5788 k = 0.5000-0.3061-0.2524 ( 12566 PWs) bands (ev): -41.4402 -41.4402 -22.1747 -22.1747 -21.3495 -21.3495 -21.1786 -21.1786 -21.1373 -21.1373 -20.5687 -20.5687 -20.5375 -20.5375 -7.6637 -7.6637 -4.9033 -4.9033 -4.4338 -4.4338 -4.2052 -4.2052 -2.9946 -2.9946 -2.5913 -2.5913 -2.4728 -2.4728 -2.3075 -2.3075 -2.2302 -2.2302 -2.0580 -2.0580 -1.9683 -1.9683 -1.8071 -1.8071 -1.4992 -1.4992 -1.3397 -1.3397 -1.2872 -1.2872 -1.0679 -1.0679 -1.0248 -1.0248 -0.9543 -0.9543 5.6524 5.6524 9.6007 9.6007 10.9389 10.9389 11.4369 11.4369 11.6231 11.6231 k = 0.5000-0.2966-0.2661 ( 12568 PWs) bands (ev): -41.4402 -41.4402 -22.1742 -22.1742 -21.3488 -21.3488 -21.1793 -21.1793 -21.1381 -21.1381 -20.5685 -20.5685 -20.5377 -20.5377 -7.6625 -7.6625 -4.9004 -4.9004 -4.4346 -4.4346 -4.2072 -4.2072 -2.9926 -2.9926 -2.5930 -2.5930 -2.4764 -2.4764 -2.3180 -2.3180 -2.2265 -2.2265 -2.0506 -2.0506 -1.9649 -1.9649 -1.8044 -1.8044 -1.5008 -1.5008 -1.3410 -1.3410 -1.2906 -1.2906 -1.0666 -1.0666 -1.0250 -1.0250 -0.9554 -0.9554 5.6557 5.6557 9.6044 9.6044 10.9266 10.9266 11.4028 11.4028 11.6725 11.6725 k = 0.5000-0.2871-0.2799 ( 12566 PWs) bands (ev): -41.4402 -41.4402 -22.1733 -22.1733 -21.3478 -21.3478 -21.1804 -21.1804 -21.1391 -21.1391 -20.5682 -20.5682 -20.5379 -20.5379 -7.6607 -7.6607 -4.8963 -4.8963 -4.4356 -4.4356 -4.2100 -4.2100 -2.9898 -2.9898 -2.5953 -2.5953 -2.4812 -2.4812 -2.3306 -2.3306 -2.2227 -2.2227 -2.0411 -2.0411 -1.9604 -1.9604 -1.8006 -1.8006 -1.5032 -1.5032 -1.3430 -1.3430 -1.2952 -1.2952 -1.0649 -1.0649 -1.0251 -1.0251 -0.9569 -0.9569 5.6602 5.6602 9.6097 9.6097 10.9096 10.9096 11.3715 11.3715 11.7248 11.7248 k = 0.5000-0.2776-0.2936 ( 12566 PWs) bands (ev): -41.4402 -41.4402 -22.1723 -22.1723 -21.3466 -21.3466 -21.1818 -21.1818 -21.1404 -21.1404 -20.5679 -20.5679 -20.5381 -20.5381 -7.6584 -7.6584 -4.8912 -4.8912 -4.4369 -4.4369 -4.2136 -4.2136 -2.9862 -2.9862 -2.5984 -2.5984 -2.4872 -2.4872 -2.3447 -2.3447 -2.2189 -2.2189 -2.0298 -2.0298 -1.9548 -1.9548 -1.7958 -1.7958 -1.5063 -1.5063 -1.3455 -1.3455 -1.3008 -1.3008 -1.0630 -1.0630 -1.0253 -1.0253 -0.9588 -0.9588 5.6660 5.6660 9.6164 9.6164 10.8885 10.8885 11.3432 11.3432 11.7793 11.7793 k = 0.5000-0.2681-0.3074 ( 12576 PWs) bands (ev): -41.4402 -41.4402 -22.1711 -22.1711 -21.3451 -21.3451 -21.1836 -21.1836 -21.1420 -21.1420 -20.5675 -20.5675 -20.5384 -20.5384 -7.6557 -7.6557 -4.8849 -4.8849 -4.4385 -4.4385 -4.2179 -4.2179 -2.9818 -2.9818 -2.6020 -2.6020 -2.4942 -2.4942 -2.3597 -2.3597 -2.2152 -2.2152 -2.0174 -2.0174 -1.9482 -1.9482 -1.7899 -1.7899 -1.5101 -1.5101 -1.3487 -1.3487 -1.3071 -1.3071 -1.0609 -1.0609 -1.0255 -1.0255 -0.9610 -0.9610 5.6730 5.6730 9.6247 9.6247 10.8637 10.8637 11.3179 11.3179 11.8355 11.8355 k = 0.5000-0.2586-0.3211 ( 12576 PWs) bands (ev): -41.4402 -41.4402 -22.1696 -22.1696 -21.3434 -21.3434 -21.1856 -21.1856 -21.1437 -21.1437 -20.5671 -20.5671 -20.5386 -20.5386 -7.6525 -7.6525 -4.8777 -4.8777 -4.4404 -4.4404 -4.2228 -4.2228 -2.9768 -2.9768 -2.6063 -2.6063 -2.5020 -2.5020 -2.3752 -2.3752 -2.2116 -2.2116 -2.0043 -2.0043 -1.9407 -1.9407 -1.7831 -1.7831 -1.5148 -1.5148 -1.3527 -1.3527 -1.3140 -1.3140 -1.0588 -1.0588 -1.0257 -1.0257 -0.9637 -0.9637 5.6812 5.6812 9.6343 9.6343 10.8360 10.8360 11.2950 11.2950 11.8931 11.8931 k = 0.5000-0.2490-0.3349 ( 12576 PWs) bands (ev): -41.4402 -41.4402 -22.1680 -22.1680 -21.3414 -21.3414 -21.1880 -21.1880 -21.1457 -21.1457 -20.5668 -20.5668 -20.5388 -20.5388 -7.6490 -7.6490 -4.8694 -4.8694 -4.4425 -4.4425 -4.2284 -4.2284 -2.9710 -2.9710 -2.6112 -2.6112 -2.5105 -2.5105 -2.3909 -2.3909 -2.2081 -2.2081 -1.9910 -1.9910 -1.9322 -1.9322 -1.7754 -1.7754 -1.5203 -1.5203 -1.3575 -1.3575 -1.3211 -1.3211 -1.0569 -1.0569 -1.0257 -1.0257 -0.9666 -0.9666 5.6904 5.6904 9.6455 9.6455 10.8060 10.8060 11.2741 11.2741 11.9519 11.9519 k = 0.5000-0.2395-0.3486 ( 12574 PWs) bands (ev): -41.4402 -41.4402 -22.1662 -22.1662 -21.3392 -21.3392 -21.1907 -21.1907 -21.1477 -21.1477 -20.5665 -20.5665 -20.5390 -20.5390 -7.6450 -7.6450 -4.8602 -4.8602 -4.4448 -4.4448 -4.2346 -4.2346 -2.9647 -2.9647 -2.6166 -2.6166 -2.5196 -2.5196 -2.4064 -2.4064 -2.2045 -2.2045 -1.9779 -1.9779 -1.9229 -1.9229 -1.7667 -1.7667 -1.5269 -1.5269 -1.3630 -1.3630 -1.3282 -1.3282 -1.0554 -1.0554 -1.0256 -1.0256 -0.9698 -0.9698 5.7006 5.7006 9.6580 9.6580 10.7743 10.7743 11.2545 11.2545 12.0116 12.0116 k = 0.5000-0.2300-0.3624 ( 12578 PWs) bands (ev): -41.4402 -41.4402 -22.1643 -22.1643 -21.3367 -21.3367 -21.1937 -21.1937 -21.1500 -21.1500 -20.5664 -20.5664 -20.5390 -20.5390 -7.6407 -7.6407 -4.8501 -4.8501 -4.4473 -4.4473 -4.2413 -4.2413 -2.9578 -2.9578 -2.6224 -2.6224 -2.5293 -2.5293 -2.4215 -2.4215 -2.2007 -2.2007 -1.9656 -1.9656 -1.9125 -1.9125 -1.7572 -1.7572 -1.5344 -1.5344 -1.3694 -1.3694 -1.3352 -1.3352 -1.0544 -1.0544 -1.0253 -1.0253 -0.9732 -0.9732 5.7118 5.7118 9.6720 9.6720 10.7416 10.7416 11.2358 11.2358 12.0721 12.0721 k = 0.5000-0.2205-0.3761 ( 12576 PWs) bands (ev): -41.4402 -41.4402 -22.1622 -22.1622 -21.3341 -21.3341 -21.1970 -21.1970 -21.1523 -21.1523 -20.5663 -20.5663 -20.5388 -20.5388 -7.6361 -7.6361 -4.8392 -4.8392 -4.4499 -4.4499 -4.2484 -4.2484 -2.9503 -2.9503 -2.6287 -2.6287 -2.5395 -2.5395 -2.4359 -2.4359 -2.1969 -2.1969 -1.9543 -1.9543 -1.9011 -1.9011 -1.7469 -1.7469 -1.5431 -1.5431 -1.3765 -1.3765 -1.3420 -1.3420 -1.0540 -1.0540 -1.0247 -1.0247 -0.9767 -0.9767 5.7238 5.7238 9.6873 9.6873 10.7085 10.7085 11.2174 11.2174 12.1332 12.1332 k = 0.5000-0.2110-0.3899 ( 12574 PWs) bands (ev): -41.4402 -41.4402 -22.1600 -22.1600 -21.3312 -21.3312 -21.2005 -21.2005 -21.1547 -21.1547 -20.5665 -20.5665 -20.5385 -20.5385 -7.6312 -7.6312 -4.8276 -4.8276 -4.4527 -4.4527 -4.2560 -4.2560 -2.9424 -2.9424 -2.6354 -2.6354 -2.5503 -2.5503 -2.4493 -2.4493 -2.1929 -2.1929 -1.9444 -1.9444 -1.8886 -1.8886 -1.7360 -1.7360 -1.5529 -1.5529 -1.3841 -1.3841 -1.3486 -1.3486 -1.0544 -1.0544 -1.0239 -1.0239 -0.9804 -0.9804 5.7365 5.7365 9.7040 9.7040 10.6755 10.6755 11.1989 11.1989 12.1948 12.1948 k = 0.5000-0.2015-0.4036 ( 12578 PWs) bands (ev): -41.4402 -41.4402 -22.1577 -22.1577 -21.3281 -21.3281 -21.2043 -21.2043 -21.1572 -21.1572 -20.5668 -20.5668 -20.5381 -20.5381 -7.6261 -7.6261 -4.8154 -4.8154 -4.4556 -4.4556 -4.2639 -4.2639 -2.9341 -2.9341 -2.6422 -2.6422 -2.5616 -2.5616 -2.4615 -2.4615 -2.1886 -2.1886 -1.9358 -1.9358 -1.8751 -1.8751 -1.7245 -1.7245 -1.5640 -1.5640 -1.3919 -1.3919 -1.3550 -1.3550 -1.0554 -1.0554 -1.0229 -1.0229 -0.9840 -0.9840 5.7499 5.7499 9.7219 9.7219 10.6429 10.6429 11.1799 11.1799 12.2566 12.2566 k = 0.5000-0.1920-0.4174 ( 12574 PWs) bands (ev): -41.4402 -41.4402 -22.1554 -22.1554 -21.3249 -21.3249 -21.2082 -21.2082 -21.1599 -21.1599 -20.5672 -20.5672 -20.5375 -20.5375 -7.6209 -7.6209 -4.8027 -4.8027 -4.4585 -4.4585 -4.2722 -4.2722 -2.9255 -2.9255 -2.6492 -2.6492 -2.5736 -2.5736 -2.4723 -2.4723 -2.1841 -2.1841 -1.9285 -1.9285 -1.8610 -1.8610 -1.7125 -1.7125 -1.5763 -1.5763 -1.3998 -1.3998 -1.3615 -1.3615 -1.0572 -1.0572 -1.0219 -1.0219 -0.9875 -0.9875 5.7637 5.7637 9.7410 9.7410 10.6111 10.6111 11.1602 11.1602 12.3185 12.3185 k = 0.5000-0.1825-0.4311 ( 12574 PWs) bands (ev): -41.4402 -41.4402 -22.1530 -22.1530 -21.3214 -21.3214 -21.2122 -21.2122 -21.1626 -21.1626 -20.5678 -20.5678 -20.5367 -20.5367 -7.6155 -7.6155 -4.7896 -4.7896 -4.4613 -4.4613 -4.2806 -4.2806 -2.9166 -2.9166 -2.6562 -2.6562 -2.5863 -2.5863 -2.4815 -2.4815 -2.1793 -2.1793 -1.9224 -1.9224 -1.8463 -1.8463 -1.7001 -1.7001 -1.5899 -1.5899 -1.4077 -1.4077 -1.3680 -1.3680 -1.0596 -1.0596 -1.0210 -1.0210 -0.9908 -0.9908 5.7780 5.7780 9.7613 9.7613 10.5805 10.5805 11.1394 11.1394 12.3803 12.3803 k = 0.5000-0.1730-0.4449 ( 12578 PWs) bands (ev): -41.4402 -41.4402 -22.1506 -22.1506 -21.3179 -21.3179 -21.2163 -21.2163 -21.1654 -21.1654 -20.5686 -20.5686 -20.5358 -20.5358 -7.6100 -7.6100 -4.7762 -4.7762 -4.4641 -4.4641 -4.2893 -4.2893 -2.9075 -2.9075 -2.6631 -2.6631 -2.5996 -2.5996 -2.4892 -2.4892 -2.1742 -2.1742 -1.9173 -1.9173 -1.8314 -1.8314 -1.6875 -1.6875 -1.6047 -1.6047 -1.4154 -1.4154 -1.3747 -1.3747 -1.0626 -1.0626 -1.0203 -1.0203 -0.9937 -0.9937 5.7925 5.7925 9.7825 9.7825 10.5514 10.5514 11.1174 11.1174 12.4420 12.4420 k = 0.5000-0.1634-0.4586 ( 12578 PWs) bands (ev): -41.4402 -41.4402 -22.1482 -22.1482 -21.3142 -21.3142 -21.2205 -21.2205 -21.1683 -21.1683 -20.5694 -20.5694 -20.5348 -20.5348 -7.6045 -7.6045 -4.7627 -4.7627 -4.4666 -4.4666 -4.2980 -4.2980 -2.8982 -2.8982 -2.6698 -2.6698 -2.6133 -2.6133 -2.4953 -2.4953 -2.1688 -2.1688 -1.9132 -1.9132 -1.8165 -1.8165 -1.6749 -1.6749 -1.6206 -1.6206 -1.4229 -1.4229 -1.3815 -1.3815 -1.0661 -1.0661 -1.0200 -1.0200 -0.9961 -0.9961 5.8071 5.8071 9.8047 9.8047 10.5239 10.5239 11.0940 11.0940 12.5032 12.5032 k = 0.5000-0.1539-0.4724 ( 12586 PWs) bands (ev): -41.4402 -41.4402 -22.1459 -22.1459 -21.3104 -21.3104 -21.2245 -21.2245 -21.1713 -21.1713 -20.5703 -20.5703 -20.5337 -20.5337 -7.5989 -7.5989 -4.7492 -4.7492 -4.4689 -4.4689 -4.3069 -4.3069 -2.8889 -2.8889 -2.6761 -2.6761 -2.6274 -2.6274 -2.4999 -2.4999 -2.1629 -2.1629 -1.9100 -1.9100 -1.8016 -1.8016 -1.6624 -1.6624 -1.6373 -1.6373 -1.4301 -1.4301 -1.3885 -1.3885 -1.0701 -1.0701 -1.0202 -1.0202 -0.9980 -0.9980 5.8217 5.8217 9.8277 9.8277 10.4985 10.4985 11.0692 11.0692 12.5638 12.5638 k = 0.5000-0.1444-0.4861 ( 12588 PWs) bands (ev): -41.4402 -41.4402 -22.1436 -22.1436 -21.3066 -21.3066 -21.2284 -21.2284 -21.1744 -21.1744 -20.5713 -20.5713 -20.5326 -20.5326 -7.5935 -7.5935 -4.7359 -4.7359 -4.4708 -4.4708 -4.3157 -4.3157 -2.8795 -2.8795 -2.6821 -2.6821 -2.6417 -2.6417 -2.5032 -2.5032 -2.1566 -2.1566 -1.9076 -1.9076 -1.7869 -1.7869 -1.6580 -1.6580 -1.6469 -1.6469 -1.4372 -1.4372 -1.3957 -1.3957 -1.0744 -1.0744 -1.0209 -1.0209 -0.9994 -0.9994 5.8362 5.8362 9.8512 9.8512 10.4753 10.4753 11.0429 11.0429 12.6236 12.6236 k = 0.5000-0.1349-0.4999 ( 12588 PWs) bands (ev): -41.4402 -41.4402 -22.1414 -22.1414 -21.3027 -21.3027 -21.2321 -21.2321 -21.1776 -21.1776 -20.5722 -20.5722 -20.5315 -20.5315 -7.5882 -7.5882 -4.7229 -4.7229 -4.4723 -4.4723 -4.3244 -4.3244 -2.8701 -2.8701 -2.6876 -2.6876 -2.6559 -2.6559 -2.5052 -2.5052 -2.1498 -2.1498 -1.9060 -1.9060 -1.7726 -1.7726 -1.6752 -1.6752 -1.6358 -1.6358 -1.4442 -1.4442 -1.4030 -1.4030 -1.0791 -1.0791 -1.0221 -1.0221 -1.0002 -1.0002 5.8503 5.8503 9.8751 9.8751 10.4547 10.4547 11.0150 11.0150 12.6822 12.6822 k = 0.5000-0.1254-0.5136 ( 12572 PWs) bands (ev): -41.4402 -41.4402 -22.1394 -22.1394 -21.2988 -21.2988 -21.2356 -21.2356 -21.1810 -21.1810 -20.5732 -20.5732 -20.5303 -20.5303 -7.5830 -7.5830 -4.7106 -4.7106 -4.4731 -4.4731 -4.3331 -4.3331 -2.8607 -2.8607 -2.6927 -2.6927 -2.6699 -2.6699 -2.5062 -2.5062 -2.1425 -2.1425 -1.9052 -1.9052 -1.7589 -1.7589 -1.6942 -1.6942 -1.6236 -1.6236 -1.4511 -1.4511 -1.4104 -1.4104 -1.0839 -1.0839 -1.0235 -1.0235 -1.0008 -1.0008 5.8640 5.8640 9.8992 9.8992 10.4369 10.4369 10.9857 10.9857 12.7392 12.7392 k = 0.5000-0.1159-0.5274 ( 12574 PWs) bands (ev): -41.4402 -41.4402 -22.1375 -22.1375 -21.2950 -21.2950 -21.2387 -21.2387 -21.1844 -21.1844 -20.5741 -20.5741 -20.5292 -20.5292 -7.5780 -7.5780 -4.6989 -4.6989 -4.4733 -4.4733 -4.3416 -4.3416 -2.8514 -2.8514 -2.6979 -2.6979 -2.6829 -2.6829 -2.5062 -2.5062 -2.1345 -2.1345 -1.9050 -1.9050 -1.7466 -1.7466 -1.7128 -1.7128 -1.6116 -1.6116 -1.4580 -1.4580 -1.4179 -1.4179 -1.0888 -1.0888 -1.0252 -1.0252 -1.0011 -1.0011 5.8771 5.8771 9.9230 9.9230 10.4221 10.4221 10.9551 10.9551 12.7941 12.7941 k = 0.5000-0.1064-0.5411 ( 12560 PWs) bands (ev): -41.4402 -41.4402 -22.1358 -22.1358 -21.2914 -21.2914 -21.2413 -21.2413 -21.1880 -21.1880 -20.5749 -20.5749 -20.5281 -20.5281 -7.5733 -7.5733 -4.6882 -4.6882 -4.4726 -4.4726 -4.3498 -4.3498 -2.8421 -2.8421 -2.7049 -2.7049 -2.6930 -2.6930 -2.5055 -2.5055 -2.1260 -2.1260 -1.9056 -1.9056 -1.7435 -1.7435 -1.7233 -1.7233 -1.6000 -1.6000 -1.4651 -1.4651 -1.4253 -1.4253 -1.0938 -1.0938 -1.0269 -1.0269 -1.0015 -1.0015 5.8895 5.8895 9.9462 9.9462 10.4107 10.4107 10.9234 10.9234 12.8458 12.8458 k = 0.5000-0.0969-0.5549 ( 12558 PWs) bands (ev): -41.4402 -41.4402 -22.1343 -22.1343 -21.2880 -21.2880 -21.2433 -21.2433 -21.1916 -21.1916 -20.5757 -20.5757 -20.5271 -20.5271 -7.5688 -7.5688 -4.6786 -4.6786 -4.4712 -4.4712 -4.3577 -4.3577 -2.8328 -2.8328 -2.7156 -2.7156 -2.6984 -2.6984 -2.5041 -2.5041 -2.1168 -2.1168 -1.9069 -1.9069 -1.7594 -1.7594 -1.7156 -1.7156 -1.5890 -1.5890 -1.4722 -1.4722 -1.4327 -1.4327 -1.0987 -1.0987 -1.0286 -1.0286 -1.0019 -1.0019 5.9010 5.9010 9.9685 9.9685 10.4029 10.4029 10.8908 10.8908 12.8934 12.8934 k = 0.5000-0.0874-0.5686 ( 12546 PWs) bands (ev): -41.4402 -41.4402 -22.1330 -22.1330 -21.2848 -21.2848 -21.2447 -21.2447 -21.1954 -21.1954 -20.5764 -20.5764 -20.5261 -20.5261 -7.5647 -7.5647 -4.6702 -4.6702 -4.4690 -4.4690 -4.3652 -4.3652 -2.8236 -2.8236 -2.7276 -2.7276 -2.7010 -2.7010 -2.5023 -2.5023 -2.1070 -2.1070 -1.9089 -1.9089 -1.7793 -1.7793 -1.7047 -1.7047 -1.5785 -1.5785 -1.4796 -1.4796 -1.4398 -1.4398 -1.1033 -1.1033 -1.0303 -1.0303 -1.0025 -1.0025 5.9114 5.9114 9.9894 9.9894 10.3989 10.3989 10.8579 10.8579 12.9354 12.9354 k = 0.5000-0.0778-0.5824 ( 12540 PWs) bands (ev): -41.4402 -41.4402 -22.1320 -22.1320 -21.2822 -21.2822 -21.2452 -21.2452 -21.1992 -21.1992 -20.5769 -20.5769 -20.5252 -20.5252 -7.5609 -7.5609 -4.6630 -4.6630 -4.4662 -4.4662 -4.3721 -4.3721 -2.8146 -2.8146 -2.7393 -2.7393 -2.7024 -2.7024 -2.5001 -2.5001 -2.0965 -2.0965 -1.9116 -1.9116 -1.7994 -1.7994 -1.6940 -1.6940 -1.5688 -1.5688 -1.4872 -1.4872 -1.4465 -1.4465 -1.1078 -1.1078 -1.0319 -1.0319 -1.0032 -1.0032 5.9208 5.9208 10.0085 10.0085 10.3985 10.3985 10.8251 10.8251 12.9701 12.9701 k = 0.5000-0.0683-0.5961 ( 12532 PWs) bands (ev): -41.4402 -41.4402 -22.1313 -22.1313 -21.2800 -21.2800 -21.2449 -21.2449 -21.2030 -21.2030 -20.5774 -20.5774 -20.5244 -20.5244 -7.5575 -7.5575 -4.6571 -4.6571 -4.4628 -4.4628 -4.3782 -4.3782 -2.8061 -2.8061 -2.7499 -2.7499 -2.7028 -2.7028 -2.4979 -2.4979 -2.0855 -2.0855 -1.9153 -1.9153 -1.8189 -1.8189 -1.6842 -1.6842 -1.5600 -1.5600 -1.4951 -1.4951 -1.4527 -1.4527 -1.1119 -1.1119 -1.0333 -1.0333 -1.0042 -1.0042 5.9289 5.9289 10.0254 10.0254 10.4016 10.4016 10.7932 10.7932 12.9967 12.9967 k = 0.5000-0.0588-0.6099 ( 12530 PWs) bands (ev): -41.4402 -41.4402 -22.1308 -22.1308 -21.2783 -21.2783 -21.2438 -21.2438 -21.2069 -21.2069 -20.5777 -20.5777 -20.5237 -20.5237 -7.5546 -7.5546 -4.6525 -4.6525 -4.4594 -4.4594 -4.3833 -4.3833 -2.7990 -2.7990 -2.7583 -2.7583 -2.7024 -2.7024 -2.4957 -2.4957 -2.0741 -2.0741 -1.9201 -1.9201 -1.8373 -1.8373 -1.6755 -1.6755 -1.5523 -1.5523 -1.5032 -1.5032 -1.4580 -1.4580 -1.1156 -1.1156 -1.0347 -1.0347 -1.0054 -1.0054 5.9356 5.9356 10.0399 10.0399 10.4074 10.4074 10.7635 10.7635 13.0153 13.0153 k = 0.5000-0.0493-0.6237 ( 12534 PWs) bands (ev): -41.4402 -41.4402 -22.1307 -22.1307 -21.2770 -21.2770 -21.2419 -21.2419 -21.2107 -21.2107 -20.5778 -20.5778 -20.5231 -20.5231 -7.5520 -7.5520 -4.6490 -4.6490 -4.4562 -4.4562 -4.3871 -4.3871 -2.7959 -2.7959 -2.7617 -2.7617 -2.7012 -2.7012 -2.4938 -2.4938 -2.0624 -2.0624 -1.9263 -1.9263 -1.8537 -1.8537 -1.6682 -1.6682 -1.5459 -1.5459 -1.5114 -1.5114 -1.4623 -1.4623 -1.1189 -1.1189 -1.0359 -1.0359 -1.0068 -1.0068 5.9409 5.9409 10.0517 10.0517 10.4148 10.4148 10.7374 10.7374 13.0270 13.0270 k = 0.5000-0.0398-0.6374 ( 12532 PWs) bands (ev): -41.4402 -41.4402 -22.1308 -22.1308 -21.2761 -21.2761 -21.2396 -21.2396 -21.2144 -21.2144 -20.5778 -20.5778 -20.5226 -20.5226 -7.5499 -7.5499 -4.6465 -4.6465 -4.4539 -4.4539 -4.3892 -4.3892 -2.7987 -2.7987 -2.7582 -2.7582 -2.6992 -2.6992 -2.4923 -2.4923 -2.0510 -2.0510 -1.9342 -1.9342 -1.8673 -1.8673 -1.6623 -1.6623 -1.5414 -1.5414 -1.5193 -1.5193 -1.4651 -1.4651 -1.1216 -1.1216 -1.0370 -1.0370 -1.0084 -1.0084 5.9447 5.9447 10.0606 10.0606 10.4220 10.4220 10.7169 10.7169 13.0327 13.0327 k = 0.7608 0.1017-0.2621 ( 12532 PWs) bands (ev): -41.4402 -41.4402 -22.1309 -22.1309 -21.2761 -21.2761 -21.2396 -21.2396 -21.2144 -21.2144 -20.5778 -20.5778 -20.5227 -20.5227 -7.5499 -7.5499 -4.6465 -4.6465 -4.4539 -4.4539 -4.3892 -4.3892 -2.7986 -2.7986 -2.7582 -2.7582 -2.6992 -2.6992 -2.4923 -2.4923 -2.0510 -2.0510 -1.9341 -1.9341 -1.8673 -1.8673 -1.6623 -1.6623 -1.5414 -1.5414 -1.5194 -1.5194 -1.4651 -1.4651 -1.1216 -1.1216 -1.0370 -1.0370 -1.0085 -1.0085 5.9447 5.9447 10.0606 10.0606 10.4220 10.4220 10.7169 10.7169 13.0327 13.0327 k = 0.7526 0.1070-0.2481 ( 12542 PWs) bands (ev): -41.4402 -41.4402 -22.1313 -22.1313 -21.2753 -21.2753 -21.2370 -21.2370 -21.2177 -21.2177 -20.5777 -20.5777 -20.5223 -20.5223 -7.5483 -7.5483 -4.6449 -4.6449 -4.4527 -4.4527 -4.3895 -4.3895 -2.8052 -2.8052 -2.7497 -2.7497 -2.6964 -2.6964 -2.4914 -2.4914 -2.0402 -2.0402 -1.9439 -1.9439 -1.8775 -1.8775 -1.6582 -1.6582 -1.5400 -1.5400 -1.5261 -1.5261 -1.4662 -1.4662 -1.1239 -1.1239 -1.0380 -1.0380 -1.0103 -1.0103 5.9470 5.9470 10.0665 10.0665 10.4272 10.4272 10.7043 10.7043 13.0331 13.0331 k = 0.7445 0.1123-0.2340 ( 12538 PWs) bands (ev): -41.4402 -41.4402 -22.1322 -22.1322 -21.2746 -21.2746 -21.2349 -21.2349 -21.2201 -21.2201 -20.5774 -20.5774 -20.5220 -20.5220 -7.5471 -7.5471 -4.6441 -4.6441 -4.4527 -4.4527 -4.3879 -4.3879 -2.8128 -2.8128 -2.7390 -2.7390 -2.6927 -2.6927 -2.4912 -2.4912 -2.0317 -2.0317 -1.9542 -1.9542 -1.8836 -1.8836 -1.6561 -1.6561 -1.5439 -1.5439 -1.5293 -1.5293 -1.4654 -1.4654 -1.1256 -1.1256 -1.0390 -1.0390 -1.0123 -1.0123 5.9476 5.9476 10.0686 10.0686 10.4287 10.4287 10.7021 10.7021 13.0282 13.0282 k = 0.7363 0.1176-0.2200 ( 12546 PWs) bands (ev): -41.4402 -41.4402 -22.1333 -22.1333 -21.2740 -21.2740 -21.2342 -21.2342 -21.2206 -21.2206 -20.5769 -20.5769 -20.5219 -20.5219 -7.5464 -7.5464 -4.6440 -4.6440 -4.4538 -4.4538 -4.3849 -4.3849 -2.8203 -2.8203 -2.7272 -2.7272 -2.6880 -2.6880 -2.4921 -2.4921 -2.0274 -2.0274 -1.9627 -1.9627 -1.8856 -1.8856 -1.6560 -1.6560 -1.5515 -1.5515 -1.5302 -1.5302 -1.4628 -1.4628 -1.1269 -1.1269 -1.0399 -1.0399 -1.0144 -1.0144 5.9465 5.9465 10.0663 10.0663 10.4268 10.4268 10.7108 10.7108 13.0179 13.0179 k = 0.7282 0.1229-0.2059 ( 12544 PWs) bands (ev): -41.4402 -41.4402 -22.1347 -22.1347 -21.2736 -21.2736 -21.2351 -21.2351 -21.2189 -21.2189 -20.5763 -20.5763 -20.5219 -20.5219 -7.5462 -7.5462 -4.6445 -4.6445 -4.4555 -4.4555 -4.3808 -4.3808 -2.8272 -2.8272 -2.7150 -2.7150 -2.6822 -2.6822 -2.4941 -2.4941 -2.0296 -2.0296 -1.9674 -1.9674 -1.8836 -1.8836 -1.6581 -1.6581 -1.5603 -1.5603 -1.5311 -1.5311 -1.4586 -1.4586 -1.1276 -1.1276 -1.0409 -1.0409 -1.0165 -1.0165 5.9437 5.9437 10.0586 10.0586 10.4236 10.4236 10.7293 10.7293 13.0021 13.0021 k = 0.7200 0.1282-0.1918 ( 12542 PWs) bands (ev): -41.4402 -41.4402 -22.1365 -22.1365 -21.2735 -21.2735 -21.2367 -21.2367 -21.2158 -21.2158 -20.5756 -20.5756 -20.5220 -20.5220 -7.5464 -7.5464 -4.6456 -4.6456 -4.4576 -4.4576 -4.3762 -4.3762 -2.8335 -2.8335 -2.7031 -2.7031 -2.6749 -2.6749 -2.4973 -2.4973 -2.0375 -2.0375 -1.9688 -1.9688 -1.8776 -1.8776 -1.6621 -1.6621 -1.5696 -1.5696 -1.5324 -1.5324 -1.4534 -1.4534 -1.1278 -1.1278 -1.0419 -1.0419 -1.0184 -1.0184 5.9392 5.9392 10.0450 10.0450 10.4219 10.4219 10.7555 10.7555 12.9807 12.9807 k = 0.7119 0.1335-0.1778 ( 12532 PWs) bands (ev): -41.4402 -41.4402 -22.1385 -22.1385 -21.2739 -21.2739 -21.2381 -21.2381 -21.2122 -21.2122 -20.5747 -20.5747 -20.5222 -20.5222 -7.5471 -7.5471 -4.6472 -4.6472 -4.4595 -4.4595 -4.3714 -4.3714 -2.8389 -2.8389 -2.6920 -2.6920 -2.6653 -2.6653 -2.5018 -2.5018 -2.0486 -2.0486 -1.9692 -1.9692 -1.8677 -1.8677 -1.6678 -1.6678 -1.5791 -1.5791 -1.5341 -1.5341 -1.4474 -1.4474 -1.1278 -1.1278 -1.0432 -1.0432 -1.0200 -1.0200 5.9331 5.9331 10.0252 10.0252 10.4240 10.4240 10.7873 10.7873 12.9540 12.9540 k = 0.7037 0.1388-0.1637 ( 12524 PWs) bands (ev): -41.4402 -41.4402 -22.1408 -22.1408 -21.2750 -21.2750 -21.2387 -21.2387 -21.2083 -21.2083 -20.5737 -20.5737 -20.5226 -20.5226 -7.5483 -7.5483 -4.6492 -4.6492 -4.4613 -4.4613 -4.3668 -4.3668 -2.8435 -2.8435 -2.6824 -2.6824 -2.6533 -2.6533 -2.5076 -2.5076 -2.0608 -2.0608 -1.9701 -1.9701 -1.8547 -1.8547 -1.6748 -1.6748 -1.5888 -1.5888 -1.5359 -1.5359 -1.4408 -1.4408 -1.1275 -1.1275 -1.0446 -1.0446 -1.0212 -1.0212 5.9254 5.9254 9.9994 9.9994 10.4312 10.4312 10.8231 10.8231 12.9225 12.9225 k = 0.6956 0.1441-0.1497 ( 12522 PWs) bands (ev): -41.4402 -41.4402 -22.1434 -22.1434 -21.2768 -21.2768 -21.2382 -21.2382 -21.2043 -21.2043 -20.5726 -20.5726 -20.5231 -20.5231 -7.5498 -7.5498 -4.6517 -4.6517 -4.4626 -4.4626 -4.3624 -4.3624 -2.8472 -2.8472 -2.6740 -2.6740 -2.6394 -2.6394 -2.5146 -2.5146 -2.0730 -2.0730 -1.9717 -1.9717 -1.8396 -1.8396 -1.6828 -1.6828 -1.5988 -1.5988 -1.5379 -1.5379 -1.4339 -1.4339 -1.1271 -1.1271 -1.0462 -1.0462 -1.0219 -1.0219 5.9162 5.9162 9.9686 9.9686 10.4438 10.4438 10.8618 10.8618 12.8866 12.8866 k = 0.6874 0.1494-0.1356 ( 12512 PWs) bands (ev): -41.4402 -41.4402 -22.1461 -22.1461 -21.2794 -21.2794 -21.2368 -21.2368 -21.2003 -21.2003 -20.5713 -20.5713 -20.5236 -20.5236 -7.5518 -7.5518 -4.6546 -4.6546 -4.4634 -4.4634 -4.3585 -4.3585 -2.8500 -2.8500 -2.6662 -2.6662 -2.6242 -2.6242 -2.5225 -2.5225 -2.0845 -2.0845 -1.9742 -1.9742 -1.8232 -1.8232 -1.6913 -1.6913 -1.6090 -1.6090 -1.5399 -1.5399 -1.4267 -1.4267 -1.1268 -1.1268 -1.0479 -1.0479 -1.0221 -1.0221 5.9057 5.9057 9.9338 9.9338 10.4614 10.4614 10.9025 10.9025 12.8472 12.8472 k = 0.6793 0.1547-0.1216 ( 12504 PWs) bands (ev): -41.4402 -41.4402 -22.1490 -22.1490 -21.2826 -21.2826 -21.2345 -21.2345 -21.1963 -21.1963 -20.5700 -20.5700 -20.5243 -20.5243 -7.5540 -7.5540 -4.6578 -4.6578 -4.4636 -4.4636 -4.3549 -4.3549 -2.8519 -2.8519 -2.6588 -2.6588 -2.6089 -2.6089 -2.5309 -2.5309 -2.0951 -2.0951 -1.9773 -1.9773 -1.8065 -1.8065 -1.7000 -1.7000 -1.6195 -1.6195 -1.5418 -1.5418 -1.4195 -1.4195 -1.1268 -1.1268 -1.0494 -1.0494 -1.0219 -1.0219 5.8939 5.8939 9.8960 9.8960 10.4837 10.4837 10.9445 10.9445 12.8049 12.8049 k = 0.6711 0.1600-0.1075 ( 12496 PWs) bands (ev): -41.4402 -41.4402 -22.1521 -22.1521 -21.2862 -21.2862 -21.2315 -21.2315 -21.1924 -21.1924 -20.5685 -20.5685 -20.5251 -20.5251 -7.5566 -7.5566 -4.6613 -4.6613 -4.4634 -4.4634 -4.3519 -4.3519 -2.8529 -2.8529 -2.6516 -2.6516 -2.5952 -2.5952 -2.5380 -2.5380 -2.1046 -2.1046 -1.9808 -1.9808 -1.7904 -1.7904 -1.7083 -1.7083 -1.6301 -1.6301 -1.5433 -1.5433 -1.4122 -1.4122 -1.1273 -1.1273 -1.0506 -1.0506 -1.0212 -1.0212 5.8810 5.8810 9.8563 9.8563 10.5100 10.5100 10.9873 10.9873 12.7602 12.7602 k = 0.6630 0.1653-0.0935 ( 12508 PWs) bands (ev): -41.4402 -41.4402 -22.1554 -22.1554 -21.2901 -21.2901 -21.2280 -21.2280 -21.1886 -21.1886 -20.5670 -20.5670 -20.5260 -20.5260 -7.5595 -7.5595 -4.6651 -4.6651 -4.4626 -4.4626 -4.3493 -4.3493 -2.8531 -2.8531 -2.6446 -2.6446 -2.5871 -2.5871 -2.5398 -2.5398 -2.1129 -2.1129 -1.9849 -1.9849 -1.7762 -1.7762 -1.7152 -1.7152 -1.6410 -1.6410 -1.5442 -1.5442 -1.4049 -1.4049 -1.1287 -1.1287 -1.0513 -1.0513 -1.0202 -1.0202 5.8670 5.8670 9.8155 9.8155 10.5398 10.5398 11.0305 11.0305 12.7136 12.7136 k = 0.6548 0.1706-0.0794 ( 12504 PWs) bands (ev): -41.4402 -41.4402 -22.1587 -22.1587 -21.2941 -21.2941 -21.2240 -21.2240 -21.1848 -21.1848 -20.5655 -20.5655 -20.5270 -20.5270 -7.5626 -7.5626 -4.6691 -4.6691 -4.4614 -4.4614 -4.3471 -4.3471 -2.8524 -2.8524 -2.6380 -2.6380 -2.5888 -2.5888 -2.5318 -2.5318 -2.1200 -2.1200 -1.9894 -1.9894 -1.7661 -1.7661 -1.7193 -1.7193 -1.6521 -1.6521 -1.5438 -1.5438 -1.3978 -1.3978 -1.1309 -1.1309 -1.0512 -1.0512 -1.0189 -1.0189 5.8523 5.8523 9.7742 9.7742 10.5727 10.5727 11.0738 11.0738 12.6656 12.6656 k = 0.6467 0.1759-0.0654 ( 12506 PWs) bands (ev): -41.4402 -41.4402 -22.1621 -22.1621 -21.2982 -21.2982 -21.2198 -21.2198 -21.1812 -21.1812 -20.5639 -20.5639 -20.5281 -20.5281 -7.5658 -7.5658 -4.6733 -4.6733 -4.4597 -4.4597 -4.3453 -4.3453 -2.8510 -2.8510 -2.6324 -2.6324 -2.5969 -2.5969 -2.5170 -2.5170 -2.1260 -2.1260 -1.9944 -1.9944 -1.7623 -1.7623 -1.7185 -1.7185 -1.6632 -1.6632 -1.5418 -1.5418 -1.3908 -1.3908 -1.1341 -1.1341 -1.0504 -1.0504 -1.0173 -1.0173 5.8369 5.8369 9.7328 9.7328 10.6083 10.6083 11.1168 11.1168 12.6163 12.6163 k = 0.6385 0.1812-0.0513 ( 12510 PWs) bands (ev): -41.4402 -41.4402 -22.1655 -22.1655 -21.3023 -21.3023 -21.2154 -21.2154 -21.1777 -21.1777 -20.5622 -20.5622 -20.5292 -20.5292 -7.5693 -7.5693 -4.6776 -4.6776 -4.4578 -4.4578 -4.3439 -4.3439 -2.8488 -2.8488 -2.6301 -2.6301 -2.6051 -2.6051 -2.4993 -2.4993 -2.1309 -2.1309 -1.9999 -1.9999 -1.7643 -1.7643 -1.7142 -1.7142 -1.6744 -1.6744 -1.5377 -1.5377 -1.3840 -1.3840 -1.1382 -1.1382 -1.0488 -1.0488 -1.0156 -1.0156 5.8210 5.8210 9.6920 9.6920 10.6463 10.6463 11.1593 11.1593 12.5662 12.5662 k = 0.6304 0.1865-0.0372 ( 12514 PWs) bands (ev): -41.4402 -41.4402 -22.1689 -22.1689 -21.3064 -21.3064 -21.2108 -21.2108 -21.1742 -21.1742 -20.5606 -20.5606 -20.5303 -20.5303 -7.5728 -7.5728 -4.6820 -4.6820 -4.4556 -4.4556 -4.3427 -4.3427 -2.8460 -2.8460 -2.6356 -2.6356 -2.6069 -2.6069 -2.4805 -2.4805 -2.1348 -2.1348 -2.0060 -2.0060 -1.7691 -1.7691 -1.7097 -1.7097 -1.6852 -1.6852 -1.5310 -1.5310 -1.3774 -1.3774 -1.1433 -1.1433 -1.0467 -1.0467 -1.0136 -1.0136 5.8048 5.8048 9.6520 9.6520 10.6863 10.6863 11.2010 11.2010 12.5153 12.5153 k = 0.6222 0.1918-0.0232 ( 12508 PWs) bands (ev): -41.4402 -41.4402 -22.1723 -22.1723 -21.3103 -21.3103 -21.2063 -21.2063 -21.1709 -21.1709 -20.5589 -20.5589 -20.5315 -20.5315 -7.5763 -7.5763 -4.6864 -4.6864 -4.4532 -4.4532 -4.3417 -4.3417 -2.8426 -2.8426 -2.6473 -2.6473 -2.6033 -2.6033 -2.4611 -2.4611 -2.1375 -2.1375 -2.0127 -2.0127 -1.7748 -1.7748 -1.7085 -1.7085 -1.6944 -1.6944 -1.5217 -1.5217 -1.3710 -1.3710 -1.1491 -1.1491 -1.0440 -1.0440 -1.0116 -1.0116 5.7885 5.7885 9.6131 9.6131 10.7281 10.7281 11.2416 11.2416 12.4638 12.4638 k = 0.6141 0.1971-0.0091 ( 12510 PWs) bands (ev): -41.4402 -41.4402 -22.1756 -22.1756 -21.3141 -21.3141 -21.2018 -21.2018 -21.1677 -21.1677 -20.5573 -20.5573 -20.5328 -20.5328 -7.5799 -7.5799 -4.6907 -4.6907 -4.4508 -4.4508 -4.3409 -4.3409 -2.8386 -2.8386 -2.6610 -2.6610 -2.5982 -2.5982 -2.4417 -2.4417 -2.1394 -2.1394 -2.0199 -2.0199 -1.7805 -1.7805 -1.7142 -1.7142 -1.6988 -1.6988 -1.5100 -1.5100 -1.3650 -1.3650 -1.1556 -1.1556 -1.0410 -1.0410 -1.0094 -1.0094 5.7722 5.7722 9.5757 9.5757 10.7714 10.7714 11.2810 11.2810 12.4120 12.4120 k = 0.6059 0.2024 0.0049 ( 12518 PWs) bands (ev): -41.4402 -41.4402 -22.1788 -22.1788 -21.3178 -21.3178 -21.1974 -21.1974 -21.1646 -21.1646 -20.5557 -20.5557 -20.5340 -20.5340 -7.5835 -7.5835 -4.6950 -4.6950 -4.4484 -4.4484 -4.3401 -4.3401 -2.8343 -2.8343 -2.6752 -2.6752 -2.5928 -2.5928 -2.4222 -2.4222 -2.1402 -2.1402 -2.0276 -2.0276 -1.7860 -1.7860 -1.7244 -1.7244 -1.7008 -1.7008 -1.4963 -1.4963 -1.3592 -1.3592 -1.1626 -1.1626 -1.0379 -1.0379 -1.0071 -1.0071 5.7561 5.7561 9.5399 9.5399 10.8159 10.8159 11.3189 11.3189 12.3598 12.3598 k = 0.5978 0.2077 0.0190 ( 12524 PWs) bands (ev): -41.4402 -41.4402 -22.1819 -22.1819 -21.3212 -21.3212 -21.1931 -21.1931 -21.1617 -21.1617 -20.5542 -20.5542 -20.5352 -20.5352 -7.5870 -7.5870 -4.6991 -4.6991 -4.4461 -4.4461 -4.3394 -4.3394 -2.8297 -2.8297 -2.6893 -2.6893 -2.5877 -2.5877 -2.4031 -2.4031 -2.1402 -2.1402 -2.0358 -2.0358 -1.7911 -1.7911 -1.7355 -1.7355 -1.7032 -1.7032 -1.4813 -1.4813 -1.3537 -1.3537 -1.1701 -1.1701 -1.0346 -1.0346 -1.0048 -1.0048 5.7405 5.7405 9.5060 9.5060 10.8613 10.8613 11.3553 11.3553 12.3075 12.3075 k = 0.5896 0.2130 0.0330 ( 12534 PWs) bands (ev): -41.4402 -41.4402 -22.1848 -22.1848 -21.3245 -21.3245 -21.1891 -21.1891 -21.1588 -21.1588 -20.5527 -20.5527 -20.5364 -20.5364 -7.5903 -7.5903 -4.7031 -4.7031 -4.4439 -4.4439 -4.3386 -4.3386 -2.8248 -2.8248 -2.7029 -2.7029 -2.5828 -2.5828 -2.3843 -2.3843 -2.1394 -2.1394 -2.0443 -2.0443 -1.7958 -1.7958 -1.7468 -1.7468 -1.7064 -1.7064 -1.4653 -1.4653 -1.3485 -1.3485 -1.1780 -1.1780 -1.0314 -1.0314 -1.0025 -1.0025 5.7253 5.7253 9.4742 9.4742 10.9073 10.9073 11.3900 11.3900 12.2551 12.2551 k = 0.5815 0.2183 0.0471 ( 12530 PWs) bands (ev): -41.4402 -41.4402 -22.1876 -22.1876 -21.3275 -21.3275 -21.1854 -21.1854 -21.1561 -21.1561 -20.5514 -20.5514 -20.5376 -20.5376 -7.5936 -7.5936 -4.7068 -4.7068 -4.4419 -4.4419 -4.3378 -4.3378 -2.8199 -2.8199 -2.7159 -2.7159 -2.5784 -2.5784 -2.3661 -2.3661 -2.1379 -2.1379 -2.0530 -2.0530 -1.8003 -1.8003 -1.7581 -1.7581 -1.7101 -1.7101 -1.4490 -1.4490 -1.3437 -1.3437 -1.1863 -1.1863 -1.0283 -1.0283 -1.0002 -1.0002 5.7109 5.7109 9.4446 9.4446 10.9537 10.9537 11.4228 11.4228 12.2028 12.2028 k = 0.5733 0.2236 0.0611 ( 12524 PWs) bands (ev): -41.4402 -41.4402 -22.1901 -22.1901 -21.3303 -21.3303 -21.1820 -21.1820 -21.1536 -21.1536 -20.5501 -20.5501 -20.5387 -20.5387 -7.5966 -7.5966 -4.7103 -4.7103 -4.4401 -4.4401 -4.3370 -4.3370 -2.8150 -2.8150 -2.7279 -2.7279 -2.5744 -2.5744 -2.3485 -2.3485 -2.1357 -2.1357 -2.0618 -2.0618 -1.8045 -1.8045 -1.7691 -1.7691 -1.7139 -1.7139 -1.4325 -1.4325 -1.3392 -1.3392 -1.1948 -1.1948 -1.0255 -1.0255 -0.9979 -0.9979 5.6974 5.6974 9.4173 9.4173 10.9998 10.9998 11.4539 11.4539 12.1507 12.1507 k = 0.5652 0.2289 0.0752 ( 12530 PWs) bands (ev): -41.4402 -41.4402 -22.1925 -22.1925 -21.3329 -21.3329 -21.1789 -21.1789 -21.1512 -21.1512 -20.5489 -20.5489 -20.5398 -20.5398 -7.5994 -7.5994 -4.7135 -4.7135 -4.4386 -4.4386 -4.3361 -4.3361 -2.8103 -2.8103 -2.7390 -2.7390 -2.5709 -2.5709 -2.3319 -2.3319 -2.1331 -2.1331 -2.0705 -2.0705 -1.8086 -1.8086 -1.7797 -1.7797 -1.7177 -1.7177 -1.4163 -1.4163 -1.3350 -1.3350 -1.2035 -1.2035 -1.0228 -1.0228 -0.9956 -0.9956 5.6849 5.6849 9.3926 9.3926 11.0454 11.0454 11.4832 11.4832 12.0990 12.0990 k = 0.5570 0.2342 0.0893 ( 12548 PWs) bands (ev): -41.4402 -41.4402 -22.1946 -22.1946 -21.3351 -21.3351 -21.1762 -21.1762 -21.1489 -21.1489 -20.5478 -20.5478 -20.5407 -20.5407 -7.6019 -7.6019 -4.7165 -4.7165 -4.4373 -4.4373 -4.3352 -4.3352 -2.8059 -2.8059 -2.7489 -2.7489 -2.5679 -2.5679 -2.3163 -2.3163 -2.1301 -2.1301 -2.0789 -2.0789 -1.8125 -1.8125 -1.7897 -1.7897 -1.7212 -1.7212 -1.4006 -1.4006 -1.3312 -1.3312 -1.2125 -1.2125 -1.0205 -1.0205 -0.9935 -0.9935 5.6735 5.6735 9.3705 9.3705 11.0898 11.0898 11.5108 11.5108 12.0479 12.0479 k = 0.5489 0.2395 0.1033 ( 12550 PWs) bands (ev): -41.4402 -41.4402 -22.1965 -22.1965 -21.3371 -21.3371 -21.1738 -21.1738 -21.1469 -21.1469 -20.5468 -20.5468 -20.5416 -20.5416 -7.6042 -7.6042 -4.7190 -4.7190 -4.4362 -4.4362 -4.3344 -4.3344 -2.8021 -2.8021 -2.7574 -2.7574 -2.5653 -2.5653 -2.3020 -2.3020 -2.1269 -2.1269 -2.0868 -2.0868 -1.8162 -1.8162 -1.7990 -1.7990 -1.7243 -1.7243 -1.3855 -1.3855 -1.3276 -1.3276 -1.2216 -1.2216 -1.0185 -1.0185 -0.9916 -0.9916 5.6635 5.6635 9.3511 9.3511 11.1323 11.1323 11.5371 11.5371 11.9978 11.9978 k = 0.5407 0.2448 0.1174 ( 12544 PWs) bands (ev): -41.4402 -41.4402 -22.1981 -22.1981 -21.3388 -21.3388 -21.1718 -21.1718 -21.1451 -21.1451 -20.5460 -20.5460 -20.5424 -20.5424 -7.6062 -7.6062 -4.7212 -4.7212 -4.4354 -4.4354 -4.3335 -4.3335 -2.7990 -2.7990 -2.7643 -2.7643 -2.5632 -2.5632 -2.2891 -2.2891 -2.1238 -2.1238 -2.0940 -2.0940 -1.8196 -1.8196 -1.8074 -1.8074 -1.7269 -1.7269 -1.3715 -1.3715 -1.3243 -1.3243 -1.2308 -1.2308 -1.0167 -1.0167 -0.9899 -0.9899 5.6547 5.6547 9.3346 9.3346 11.1719 11.1719 11.5624 11.5624 11.9489 11.9489 k = 0.5326 0.2501 0.1314 ( 12538 PWs) bands (ev): -41.4402 -41.4402 -22.1995 -22.1995 -21.3402 -21.3402 -21.1702 -21.1702 -21.1436 -21.1436 -20.5453 -20.5453 -20.5430 -20.5430 -7.6078 -7.6078 -4.7231 -4.7231 -4.4348 -4.4348 -4.3328 -4.3328 -2.7969 -2.7969 -2.7696 -2.7696 -2.5615 -2.5615 -2.2780 -2.2780 -2.1210 -2.1210 -2.1003 -2.1003 -1.8228 -1.8228 -1.8146 -1.8146 -1.7290 -1.7290 -1.3587 -1.3587 -1.3210 -1.3210 -1.2400 -1.2400 -1.0153 -1.0153 -0.9884 -0.9884 5.6475 5.6475 9.3210 9.3210 11.2074 11.2074 11.5872 11.5872 11.9020 11.9020 k = 0.5244 0.2554 0.1455 ( 12526 PWs) bands (ev): -41.4402 -41.4402 -22.2005 -22.2005 -21.3413 -21.3413 -21.1690 -21.1690 -21.1424 -21.1424 -20.5448 -20.5448 -20.5435 -20.5435 -7.6091 -7.6091 -4.7245 -4.7245 -4.4343 -4.4343 -4.3321 -4.3321 -2.7959 -2.7959 -2.7730 -2.7730 -2.5602 -2.5602 -2.2689 -2.2689 -2.1189 -2.1189 -2.1052 -2.1052 -1.8255 -1.8255 -1.8204 -1.8204 -1.7306 -1.7306 -1.3479 -1.3479 -1.3175 -1.3175 -1.2489 -1.2489 -1.0142 -1.0142 -0.9872 -0.9872 5.6417 5.6417 9.3103 9.3103 11.2374 11.2374 11.6118 11.6118 11.8578 11.8578 k = 0.5163 0.2607 0.1595 ( 12518 PWs) bands (ev): -41.4402 -41.4402 -22.2013 -22.2013 -21.3421 -21.3421 -21.1681 -21.1681 -21.1415 -21.1415 -20.5444 -20.5444 -20.5439 -20.5439 -7.6100 -7.6100 -4.7256 -4.7256 -4.4340 -4.4340 -4.3316 -4.3316 -2.7957 -2.7957 -2.7748 -2.7748 -2.5593 -2.5593 -2.2621 -2.2621 -2.1178 -2.1178 -2.1084 -2.1084 -1.8277 -1.8277 -1.8246 -1.8246 -1.7317 -1.7317 -1.3398 -1.3398 -1.3134 -1.3134 -1.2571 -1.2571 -1.0134 -1.0134 -0.9863 -0.9863 5.6376 5.6376 9.3027 9.3027 11.2604 11.2604 11.6360 11.6360 11.8182 11.8182 k = 0.5081 0.2660 0.1736 ( 12514 PWs) bands (ev): -41.4402 -41.4402 -22.2017 -22.2017 -21.3426 -21.3426 -21.1676 -21.1676 -21.1410 -21.1410 -20.5442 -20.5442 -20.5440 -20.5440 -7.6106 -7.6106 -4.7262 -4.7262 -4.4338 -4.4338 -4.3313 -4.3313 -2.7960 -2.7960 -2.7755 -2.7755 -2.5588 -2.5588 -2.2579 -2.2579 -2.1178 -2.1178 -2.1097 -2.1097 -1.8293 -1.8293 -1.8268 -1.8268 -1.7323 -1.7323 -1.3352 -1.3352 -1.3094 -1.3094 -1.2635 -1.2635 -1.0130 -1.0130 -0.9858 -0.9858 5.6351 5.6351 9.2981 9.2981 11.2749 11.2749 11.6574 11.6574 11.7869 11.7869 k = 0.5000 0.2713 0.1876 ( 12514 PWs) bands (ev): -41.4402 -41.4402 -22.2019 -22.2019 -21.3427 -21.3427 -21.1674 -21.1674 -21.1408 -21.1408 -20.5442 -20.5442 -20.5440 -20.5440 -7.6108 -7.6108 -4.7264 -4.7264 -4.4337 -4.4337 -4.3312 -4.3312 -2.7962 -2.7962 -2.7757 -2.7757 -2.5586 -2.5586 -2.2565 -2.2565 -2.1180 -2.1180 -2.1100 -2.1100 -1.8300 -1.8300 -1.8275 -1.8275 -1.7326 -1.7326 -1.3337 -1.3337 -1.3075 -1.3075 -1.2661 -1.2661 -1.0128 -1.0128 -0.9856 -0.9856 5.6343 5.6343 9.2965 9.2965 11.2799 11.2799 11.6672 11.6672 11.7736 11.7736 k = 0.5000 0.2713 0.1876 ( 12514 PWs) bands (ev): -41.4402 -41.4402 -22.2019 -22.2019 -21.3427 -21.3427 -21.1674 -21.1674 -21.1408 -21.1408 -20.5442 -20.5442 -20.5440 -20.5440 -7.6108 -7.6108 -4.7264 -4.7264 -4.4337 -4.4337 -4.3312 -4.3312 -2.7962 -2.7962 -2.7757 -2.7757 -2.5586 -2.5586 -2.2565 -2.2565 -2.1180 -2.1180 -2.1100 -2.1100 -1.8300 -1.8300 -1.8275 -1.8275 -1.7326 -1.7326 -1.3337 -1.3337 -1.3075 -1.3075 -1.2661 -1.2661 -1.0128 -1.0128 -0.9856 -0.9856 5.6343 5.6343 9.2965 9.2965 11.2799 11.2799 11.6672 11.6672 11.7736 11.7736 k = 0.4857 0.2635 0.1823 ( 12508 PWs) bands (ev): -41.4402 -41.4402 -22.2021 -22.2021 -21.3424 -21.3424 -21.1675 -21.1675 -21.1409 -21.1409 -20.5441 -20.5441 -20.5439 -20.5439 -7.6112 -7.6112 -4.7264 -4.7264 -4.4346 -4.4346 -4.3323 -4.3323 -2.7951 -2.7951 -2.7746 -2.7746 -2.5615 -2.5615 -2.2526 -2.2526 -2.1200 -2.1200 -2.1120 -2.1120 -1.8279 -1.8279 -1.8254 -1.8254 -1.7328 -1.7328 -1.3336 -1.3336 -1.3074 -1.3074 -1.2660 -1.2660 -1.0126 -1.0126 -0.9854 -0.9854 5.6325 5.6325 9.2979 9.2979 11.2785 11.2785 11.6663 11.6663 11.7724 11.7724 k = 0.4714 0.2558 0.1769 ( 12526 PWs) bands (ev): -41.4402 -41.4402 -22.2029 -22.2029 -21.3415 -21.3415 -21.1676 -21.1676 -21.1411 -21.1411 -20.5439 -20.5439 -20.5437 -20.5437 -7.6126 -7.6126 -4.7263 -4.7263 -4.4372 -4.4372 -4.3355 -4.3355 -2.7919 -2.7919 -2.7715 -2.7715 -2.5696 -2.5696 -2.2414 -2.2414 -2.1257 -2.1257 -2.1179 -2.1179 -1.8217 -1.8217 -1.8193 -1.8193 -1.7334 -1.7334 -1.3335 -1.3335 -1.3073 -1.3073 -1.2656 -1.2656 -1.0121 -1.0121 -0.9849 -0.9849 5.6272 5.6272 9.3021 9.3021 11.2744 11.2744 11.6637 11.6637 11.7689 11.7689 k = 0.4571 0.2480 0.1716 ( 12529 PWs) bands (ev): -41.4402 -41.4402 -22.2042 -22.2042 -21.3400 -21.3400 -21.1679 -21.1679 -21.1414 -21.1414 -20.5435 -20.5435 -20.5433 -20.5433 -7.6149 -7.6149 -4.7261 -4.7261 -4.4414 -4.4414 -4.3407 -4.3407 -2.7868 -2.7868 -2.7663 -2.7663 -2.5821 -2.5821 -2.2239 -2.2239 -2.1346 -2.1346 -2.1271 -2.1271 -1.8120 -1.8120 -1.8098 -1.8098 -1.7344 -1.7344 -1.3333 -1.3333 -1.3072 -1.3072 -1.2650 -1.2650 -1.0112 -1.0112 -0.9841 -0.9841 5.6185 5.6185 9.3089 9.3089 11.2676 11.2676 11.6592 11.6592 11.7631 11.7631 k = 0.4429 0.2403 0.1662 ( 12526 PWs) bands (ev): -41.4402 -41.4402 -22.2059 -22.2059 -21.3379 -21.3379 -21.1683 -21.1683 -21.1418 -21.1418 -20.5429 -20.5429 -20.5428 -20.5428 -7.6181 -7.6181 -4.7259 -4.7259 -4.4472 -4.4472 -4.3478 -4.3478 -2.7798 -2.7798 -2.7594 -2.7594 -2.5975 -2.5975 -2.2014 -2.2014 -2.1459 -2.1459 -2.1387 -2.1387 -1.7996 -1.7996 -1.7976 -1.7976 -1.7357 -1.7357 -1.3329 -1.3329 -1.3070 -1.3070 -1.2642 -1.2642 -1.0100 -1.0100 -0.9830 -0.9830 5.6064 5.6064 9.3185 9.3185 11.2582 11.2582 11.6528 11.6528 11.7551 11.7551 k = 0.4286 0.2325 0.1608 ( 12559 PWs) bands (ev): -41.4402 -41.4402 -22.2081 -22.2081 -21.3352 -21.3352 -21.1688 -21.1688 -21.1423 -21.1423 -20.5422 -20.5422 -20.5421 -20.5421 -7.6221 -7.6221 -4.7258 -4.7258 -4.4545 -4.4545 -4.3568 -4.3568 -2.7712 -2.7712 -2.7508 -2.7508 -2.6148 -2.6148 -2.1751 -2.1751 -2.1589 -2.1589 -2.1521 -2.1521 -1.7850 -1.7850 -1.7836 -1.7836 -1.7372 -1.7372 -1.3326 -1.3326 -1.3067 -1.3067 -1.2632 -1.2632 -1.0085 -1.0085 -0.9815 -0.9815 5.5910 5.5910 9.3306 9.3306 11.2463 11.2463 11.6446 11.6446 11.7450 11.7450 k = 0.4143 0.2248 0.1555 ( 12562 PWs) bands (ev): -41.4402 -41.4402 -22.2108 -22.2108 -21.3320 -21.3320 -21.1694 -21.1694 -21.1430 -21.1430 -20.5414 -20.5414 -20.5412 -20.5412 -7.6269 -7.6269 -4.7257 -4.7257 -4.4629 -4.4629 -4.3675 -4.3675 -2.7613 -2.7613 -2.7409 -2.7409 -2.6331 -2.6331 -2.1726 -2.1726 -2.1663 -2.1663 -2.1458 -2.1458 -1.7690 -1.7690 -1.7689 -1.7689 -1.7383 -1.7383 -1.3321 -1.3321 -1.3064 -1.3064 -1.2620 -1.2620 -1.0066 -1.0066 -0.9798 -0.9798 5.5726 5.5726 9.3452 9.3452 11.2320 11.2320 11.6344 11.6344 11.7328 11.7328 k = 0.4000 0.2170 0.1501 ( 12550 PWs) bands (ev): -41.4402 -41.4402 -22.2138 -22.2138 -21.3283 -21.3283 -21.1701 -21.1701 -21.1438 -21.1438 -20.5404 -20.5404 -20.5402 -20.5402 -7.6326 -7.6326 -4.7257 -4.7257 -4.4724 -4.4724 -4.3797 -4.3797 -2.7504 -2.7504 -2.7302 -2.7302 -2.6518 -2.6518 -2.1865 -2.1865 -2.1808 -2.1808 -2.1143 -2.1143 -1.7561 -1.7561 -1.7520 -1.7520 -1.7369 -1.7369 -1.3315 -1.3315 -1.3060 -1.3060 -1.2606 -1.2606 -1.0043 -1.0043 -0.9777 -0.9777 5.5512 5.5512 9.3622 9.3622 11.2155 11.2155 11.6222 11.6222 11.7187 11.7187 k = 0.3857 0.2093 0.1447 ( 12562 PWs) bands (ev): -41.4402 -41.4402 -22.2173 -22.2173 -21.3241 -21.3241 -21.1708 -21.1708 -21.1446 -21.1446 -20.5393 -20.5393 -20.5391 -20.5391 -7.6389 -7.6389 -4.7260 -4.7260 -4.4828 -4.4828 -4.3932 -4.3932 -2.7390 -2.7390 -2.7192 -2.7192 -2.6701 -2.6701 -2.1999 -2.1999 -2.1949 -2.1949 -2.0811 -2.0811 -1.7514 -1.7514 -1.7345 -1.7345 -1.7273 -1.7273 -1.3310 -1.3310 -1.3056 -1.3056 -1.2591 -1.2591 -1.0018 -1.0018 -0.9753 -0.9753 5.5272 5.5272 9.3816 9.3816 11.1969 11.1969 11.6079 11.6079 11.7028 11.7028 k = 0.3714 0.2015 0.1394 ( 12550 PWs) bands (ev): -41.4402 -41.4402 -22.2210 -22.2210 -21.3196 -21.3196 -21.1717 -21.1717 -21.1456 -21.1456 -20.5381 -20.5381 -20.5379 -20.5379 -7.6459 -7.6459 -4.7267 -4.7267 -4.4936 -4.4936 -4.4079 -4.4079 -2.7274 -2.7274 -2.7101 -2.7101 -2.6862 -2.6862 -2.2123 -2.2123 -2.2080 -2.2080 -2.0467 -2.0467 -1.7523 -1.7523 -1.7168 -1.7168 -1.7119 -1.7119 -1.3303 -1.3303 -1.3052 -1.3052 -1.2574 -1.2574 -0.9989 -0.9989 -0.9726 -0.9726 5.5006 5.5006 9.4030 9.4030 11.1764 11.1764 11.5915 11.5915 11.6853 11.6853 k = 0.3571 0.1938 0.1340 ( 12556 PWs) bands (ev): -41.4402 -41.4402 -22.2251 -22.2251 -21.3147 -21.3147 -21.1726 -21.1726 -21.1466 -21.1466 -20.5368 -20.5368 -20.5366 -20.5366 -7.6535 -7.6535 -4.7277 -4.7277 -4.5048 -4.5048 -4.4235 -4.4235 -2.7163 -2.7163 -2.7139 -2.7139 -2.6893 -2.6893 -2.2231 -2.2231 -2.2196 -2.2196 -2.0114 -2.0114 -1.7548 -1.7548 -1.6991 -1.6991 -1.6952 -1.6952 -1.3297 -1.3297 -1.3048 -1.3048 -1.2556 -1.2556 -0.9957 -0.9957 -0.9697 -0.9697 5.4717 5.4717 9.4265 9.4265 11.1541 11.1541 11.5731 11.5731 11.6664 11.6664 k = 0.3429 0.1860 0.1287 ( 12553 PWs) bands (ev): -41.4402 -41.4402 -22.2294 -22.2294 -21.3094 -21.3094 -21.1735 -21.1735 -21.1477 -21.1477 -20.5354 -20.5354 -20.5352 -20.5352 -7.6617 -7.6617 -4.7294 -4.7294 -4.5160 -4.5160 -4.4399 -4.4399 -2.7292 -2.7292 -2.7060 -2.7060 -2.6810 -2.6810 -2.2319 -2.2319 -2.2292 -2.2292 -1.9756 -1.9756 -1.7575 -1.7575 -1.6816 -1.6816 -1.6784 -1.6784 -1.3290 -1.3290 -1.3044 -1.3044 -1.2538 -1.2538 -0.9923 -0.9923 -0.9665 -0.9665 5.4409 5.4409 9.4519 9.4519 11.1304 11.1304 11.5526 11.5526 11.6462 11.6462 k = 0.3286 0.1783 0.1233 ( 12553 PWs) bands (ev): -41.4402 -41.4402 -22.2340 -22.2340 -21.3040 -21.3040 -21.1745 -21.1745 -21.1489 -21.1489 -20.5338 -20.5338 -20.5337 -20.5337 -7.6703 -7.6703 -4.7318 -4.7318 -4.5268 -4.5268 -4.4570 -4.4570 -2.7456 -2.7456 -2.6972 -2.6972 -2.6722 -2.6722 -2.2382 -2.2382 -2.2364 -2.2364 -1.9398 -1.9398 -1.7601 -1.7601 -1.6644 -1.6644 -1.6617 -1.6617 -1.3283 -1.3283 -1.3040 -1.3040 -1.2519 -1.2519 -0.9886 -0.9886 -0.9630 -0.9630 5.4083 5.4083 9.4790 9.4790 11.1052 11.1052 11.5300 11.5300 11.6249 11.6249 k = 0.3143 0.1705 0.1179 ( 12532 PWs) bands (ev): -41.4402 -41.4402 -22.2387 -22.2387 -21.2983 -21.2983 -21.1755 -21.1755 -21.1501 -21.1501 -20.5323 -20.5323 -20.5321 -20.5321 -7.6793 -7.6793 -4.7351 -4.7351 -4.5371 -4.5371 -4.4744 -4.4744 -2.7618 -2.7618 -2.6901 -2.6901 -2.6648 -2.6648 -2.2416 -2.2416 -2.2407 -2.2407 -1.9046 -1.9046 -1.7620 -1.7620 -1.6478 -1.6478 -1.6455 -1.6455 -1.3276 -1.3276 -1.3036 -1.3036 -1.2499 -1.2499 -0.9847 -0.9847 -0.9593 -0.9593 5.3743 5.3743 9.5078 9.5078 11.0789 11.0789 11.5055 11.5055 11.6027 11.6027 k = 0.3000 0.1628 0.1126 ( 12538 PWs) bands (ev): -41.4402 -41.4402 -22.2435 -22.2435 -21.2925 -21.2925 -21.1765 -21.1765 -21.1513 -21.1513 -20.5307 -20.5307 -20.5305 -20.5305 -7.6886 -7.6886 -4.7393 -4.7393 -4.5466 -4.5466 -4.4921 -4.4921 -2.7773 -2.7773 -2.6852 -2.6852 -2.6594 -2.6594 -2.2419 -2.2419 -2.2418 -2.2418 -1.8711 -1.8711 -1.7621 -1.7621 -1.6317 -1.6317 -1.6298 -1.6298 -1.3269 -1.3269 -1.3032 -1.3032 -1.2480 -1.2480 -0.9806 -0.9806 -0.9555 -0.9555 5.3391 5.3391 9.5380 9.5380 11.0515 11.0515 11.4791 11.4791 11.5798 11.5798 k = 0.2857 0.1550 0.1072 ( 12538 PWs) bands (ev): -41.4402 -41.4402 -22.2484 -22.2484 -21.2866 -21.2866 -21.1776 -21.1776 -21.1526 -21.1526 -20.5290 -20.5290 -20.5288 -20.5288 -7.6982 -7.6982 -4.7447 -4.7447 -4.5550 -4.5550 -4.5099 -4.5099 -2.7921 -2.7921 -2.6826 -2.6826 -2.6564 -2.6564 -2.2396 -2.2396 -2.2390 -2.2390 -1.8419 -1.8419 -1.7582 -1.7582 -1.6162 -1.6162 -1.6147 -1.6147 -1.3262 -1.3262 -1.3029 -1.3029 -1.2461 -1.2461 -0.9764 -0.9764 -0.9515 -0.9515 5.3030 5.3030 9.5696 9.5696 11.0233 11.0233 11.4510 11.4510 11.5564 11.5564 k = 0.2714 0.1473 0.1019 ( 12550 PWs) bands (ev): -41.4402 -41.4402 -22.2533 -22.2533 -21.2806 -21.2806 -21.1786 -21.1786 -21.1539 -21.1539 -20.5273 -20.5273 -20.5271 -20.5271 -7.7079 -7.7079 -4.7512 -4.7512 -4.5622 -4.5622 -4.5276 -4.5276 -2.8061 -2.8061 -2.6824 -2.6824 -2.6558 -2.6558 -2.2342 -2.2342 -2.2331 -2.2331 -1.8215 -1.8215 -1.7458 -1.7458 -1.6015 -1.6015 -1.6002 -1.6002 -1.3255 -1.3255 -1.3026 -1.3026 -1.2441 -1.2441 -0.9720 -0.9720 -0.9474 -0.9474 5.2663 5.2663 9.6024 9.6024 10.9944 10.9944 11.4213 11.4213 11.5326 11.5326 k = 0.2571 0.1395 0.0965 ( 12544 PWs) bands (ev): -41.4402 -41.4402 -22.2583 -22.2583 -21.2747 -21.2747 -21.1796 -21.1796 -21.1552 -21.1552 -20.5256 -20.5256 -20.5254 -20.5254 -7.7177 -7.7177 -4.7587 -4.7587 -4.5681 -4.5681 -4.5452 -4.5452 -2.8193 -2.8193 -2.6844 -2.6844 -2.6575 -2.6575 -2.2258 -2.2258 -2.2243 -2.2243 -1.8122 -1.8122 -1.7228 -1.7228 -1.5875 -1.5875 -1.5863 -1.5863 -1.3247 -1.3247 -1.3023 -1.3023 -1.2423 -1.2423 -0.9676 -0.9676 -0.9433 -0.9433 5.2292 5.2292 9.6363 9.6363 10.9650 10.9650 11.3903 11.3903 11.5088 11.5088 k = 0.2429 0.1318 0.0911 ( 12556 PWs) bands (ev): -41.4402 -41.4402 -22.2632 -22.2632 -21.2689 -21.2689 -21.1805 -21.1805 -21.1566 -21.1566 -20.5239 -20.5239 -20.5237 -20.5237 -7.7274 -7.7274 -4.7672 -4.7672 -4.5728 -4.5728 -4.5624 -4.5624 -2.8318 -2.8318 -2.6883 -2.6883 -2.6612 -2.6612 -2.2149 -2.2149 -2.2131 -2.2131 -1.8100 -1.8100 -1.6935 -1.6935 -1.5742 -1.5742 -1.5731 -1.5731 -1.3240 -1.3240 -1.3021 -1.3021 -1.2404 -1.2404 -0.9632 -0.9632 -0.9391 -0.9391 5.1922 5.1922 9.6713 9.6713 10.9351 10.9351 11.3582 11.3582 11.4850 11.4850 k = 0.2286 0.1240 0.0858 ( 12562 PWs) bands (ev): -41.4402 -41.4402 -22.2680 -22.2680 -21.2632 -21.2632 -21.1813 -21.1813 -21.1579 -21.1579 -20.5222 -20.5222 -20.5220 -20.5220 -7.7371 -7.7371 -4.7765 -4.7765 -4.5792 -4.5792 -4.5764 -4.5764 -2.8434 -2.8434 -2.6938 -2.6938 -2.6666 -2.6666 -2.2019 -2.2019 -2.2000 -2.2000 -1.8110 -1.8110 -1.6619 -1.6619 -1.5618 -1.5618 -1.5604 -1.5604 -1.3233 -1.3233 -1.3019 -1.3019 -1.2387 -1.2387 -0.9588 -0.9588 -0.9349 -0.9349 5.1553 5.1553 9.7071 9.7071 10.9049 10.9049 11.3252 11.3252 11.4615 11.4615 k = 0.2143 0.1163 0.0804 ( 12562 PWs) bands (ev): -41.4402 -41.4402 -22.2727 -22.2727 -21.2578 -21.2578 -21.1821 -21.1821 -21.1591 -21.1591 -20.5205 -20.5205 -20.5204 -20.5204 -7.7467 -7.7467 -4.7863 -4.7863 -4.5954 -4.5954 -4.5789 -4.5789 -2.8542 -2.8542 -2.7005 -2.7005 -2.6733 -2.6733 -2.1872 -2.1872 -2.1853 -2.1853 -1.8134 -1.8134 -1.6302 -1.6302 -1.5502 -1.5502 -1.5482 -1.5482 -1.3225 -1.3225 -1.3016 -1.3016 -1.2370 -1.2370 -0.9545 -0.9545 -0.9308 -0.9308 5.1191 5.1191 9.7437 9.7437 10.8744 10.8744 11.2916 11.2916 11.4384 11.4384 k = 0.2000 0.1085 0.0751 ( 12547 PWs) bands (ev): -41.4402 -41.4402 -22.2772 -22.2772 -21.2526 -21.2526 -21.1827 -21.1827 -21.1604 -21.1604 -20.5189 -20.5189 -20.5187 -20.5187 -7.7560 -7.7560 -4.7965 -4.7965 -4.6110 -4.6110 -4.5806 -4.5806 -2.8643 -2.8643 -2.7082 -2.7082 -2.6810 -2.6810 -2.1715 -2.1715 -2.1696 -2.1696 -1.8163 -1.8163 -1.5997 -1.5997 -1.5393 -1.5393 -1.5359 -1.5359 -1.3216 -1.3216 -1.3014 -1.3014 -1.2355 -1.2355 -0.9504 -0.9504 -0.9268 -0.9268 5.0836 5.0836 9.7810 9.7810 10.8437 10.8437 11.2578 11.2578 11.4159 11.4159 k = 0.1857 0.1008 0.0697 ( 12547 PWs) bands (ev): -41.4402 -41.4402 -22.2816 -22.2816 -21.2476 -21.2476 -21.1832 -21.1832 -21.1616 -21.1616 -20.5173 -20.5173 -20.5172 -20.5172 -7.7650 -7.7650 -4.8068 -4.8068 -4.6259 -4.6259 -4.5816 -4.5816 -2.8735 -2.8735 -2.7163 -2.7163 -2.6892 -2.6892 -2.1552 -2.1552 -2.1533 -2.1533 -1.8196 -1.8196 -1.5718 -1.5718 -1.5293 -1.5293 -1.5228 -1.5228 -1.3208 -1.3208 -1.3012 -1.3012 -1.2340 -1.2340 -0.9463 -0.9463 -0.9229 -0.9229 5.0492 5.0492 9.8189 9.8189 10.8129 10.8129 11.2241 11.2241 11.3941 11.3941 k = 0.1714 0.0930 0.0643 ( 12535 PWs) bands (ev): -41.4402 -41.4402 -22.2858 -22.2858 -21.2431 -21.2431 -21.1836 -21.1836 -21.1627 -21.1627 -20.5158 -20.5158 -20.5156 -20.5156 -7.7736 -7.7736 -4.8171 -4.8171 -4.6400 -4.6400 -4.5820 -4.5820 -2.8820 -2.8820 -2.7248 -2.7248 -2.6977 -2.6977 -2.1386 -2.1386 -2.1369 -2.1369 -1.8229 -1.8229 -1.5485 -1.5485 -1.5202 -1.5202 -1.5072 -1.5072 -1.3198 -1.3198 -1.3010 -1.3010 -1.2326 -1.2326 -0.9425 -0.9425 -0.9193 -0.9193 5.0162 5.0162 9.8573 9.8573 10.7819 10.7819 11.1908 11.1908 11.3733 11.3733 k = 0.1571 0.0853 0.0590 ( 12522 PWs) bands (ev): -41.4402 -41.4402 -22.2897 -22.2897 -21.2389 -21.2389 -21.1838 -21.1838 -21.1638 -21.1638 -20.5144 -20.5144 -20.5142 -20.5142 -7.7818 -7.7818 -4.8270 -4.8270 -4.6532 -4.6532 -4.5820 -4.5820 -2.8898 -2.8898 -2.7332 -2.7332 -2.7062 -2.7062 -2.1222 -2.1222 -2.1206 -2.1206 -1.8262 -1.8262 -1.5315 -1.5315 -1.5118 -1.5118 -1.4876 -1.4876 -1.3187 -1.3187 -1.3008 -1.3008 -1.2314 -1.2314 -0.9390 -0.9390 -0.9158 -0.9158 4.9847 4.9847 9.8961 9.8961 10.7507 10.7507 11.1583 11.1583 11.3536 11.3536 k = 0.1429 0.0775 0.0536 ( 12540 PWs) bands (ev): -41.4402 -41.4402 -22.2934 -22.2934 -21.2352 -21.2352 -21.1838 -21.1838 -21.1649 -21.1649 -20.5130 -20.5130 -20.5129 -20.5129 -7.7895 -7.7895 -4.8366 -4.8366 -4.6654 -4.6654 -4.5817 -4.5817 -2.8969 -2.8969 -2.7415 -2.7415 -2.7145 -2.7145 -2.1063 -2.1063 -2.1048 -2.1048 -1.8293 -1.8293 -1.5197 -1.5197 -1.5043 -1.5043 -1.4654 -1.4654 -1.3175 -1.3175 -1.3005 -1.3005 -1.2303 -1.2303 -0.9357 -0.9357 -0.9126 -0.9126 4.9551 4.9551 9.9352 9.9352 10.7194 10.7194 11.1271 11.1271 11.3351 11.3351 k = 0.1286 0.0698 0.0482 ( 12537 PWs) bands (ev): -41.4402 -41.4402 -22.2968 -22.2968 -21.2319 -21.2319 -21.1837 -21.1837 -21.1658 -21.1658 -20.5118 -20.5118 -20.5116 -20.5116 -7.7966 -7.7966 -4.8456 -4.8456 -4.6767 -4.6767 -4.5812 -4.5812 -2.9032 -2.9032 -2.7494 -2.7494 -2.7225 -2.7225 -2.0911 -2.0911 -2.0897 -2.0897 -1.8322 -1.8322 -1.5110 -1.5110 -1.4975 -1.4975 -1.4430 -1.4430 -1.3163 -1.3163 -1.3002 -1.3002 -1.2293 -1.2293 -0.9326 -0.9326 -0.9096 -0.9096 4.9276 4.9276 9.9745 9.9745 10.6877 10.6877 11.0974 11.0974 11.3180 11.3180 k = 0.1143 0.0620 0.0429 ( 12552 PWs) bands (ev): -41.4402 -41.4402 -22.2999 -22.2999 -21.2291 -21.2291 -21.1834 -21.1834 -21.1667 -21.1667 -20.5106 -20.5106 -20.5105 -20.5105 -7.8031 -7.8031 -4.8539 -4.8539 -4.6869 -4.6869 -4.5805 -4.5805 -2.9088 -2.9088 -2.7568 -2.7568 -2.7299 -2.7299 -2.0769 -2.0769 -2.0757 -2.0757 -1.8350 -1.8350 -1.5042 -1.5042 -1.4916 -1.4916 -1.4217 -1.4217 -1.3149 -1.3149 -1.2999 -1.2999 -1.2284 -1.2284 -0.9299 -0.9299 -0.9069 -0.9069 4.9023 4.9023 10.0138 10.0138 10.6558 10.6558 11.0697 11.0697 11.3023 11.3023 k = 0.1000 0.0543 0.0375 ( 12567 PWs) bands (ev): -41.4402 -41.4402 -22.3027 -22.3027 -21.2267 -21.2267 -21.1829 -21.1829 -21.1675 -21.1675 -20.5096 -20.5096 -20.5094 -20.5094 -7.8090 -7.8090 -4.8614 -4.8614 -4.6960 -4.6960 -4.5798 -4.5798 -2.9138 -2.9138 -2.7636 -2.7636 -2.7367 -2.7367 -2.0640 -2.0640 -2.0628 -2.0628 -1.8374 -1.8374 -1.4986 -1.4986 -1.4864 -1.4864 -1.4024 -1.4024 -1.3133 -1.3133 -1.2996 -1.2996 -1.2277 -1.2277 -0.9275 -0.9275 -0.9045 -0.9045 4.8795 4.8795 10.0529 10.0529 10.6236 10.6236 11.0444 11.0444 11.2882 11.2882 k = 0.0857 0.0465 0.0322 ( 12549 PWs) bands (ev): -41.4402 -41.4402 -22.3051 -22.3051 -21.2248 -21.2248 -21.1824 -21.1824 -21.1682 -21.1682 -20.5087 -20.5087 -20.5085 -20.5085 -7.8142 -7.8142 -4.8681 -4.8681 -4.7039 -4.7039 -4.5790 -4.5790 -2.9180 -2.9180 -2.7696 -2.7696 -2.7428 -2.7428 -2.0524 -2.0524 -2.0513 -2.0513 -1.8396 -1.8396 -1.4940 -1.4940 -1.4820 -1.4820 -1.3854 -1.3854 -1.3115 -1.3115 -1.2992 -1.2992 -1.2271 -1.2271 -0.9254 -0.9254 -0.9025 -0.9025 4.8593 4.8593 10.0917 10.0917 10.5911 10.5911 11.0218 11.0218 11.2758 11.2758 k = 0.0714 0.0388 0.0268 ( 12549 PWs) bands (ev): -41.4402 -41.4402 -22.3072 -22.3072 -21.2233 -21.2233 -21.1818 -21.1818 -21.1687 -21.1687 -20.5079 -20.5079 -20.5077 -20.5077 -7.8186 -7.8186 -4.8738 -4.8738 -4.7107 -4.7107 -4.5784 -4.5784 -2.9216 -2.9216 -2.7749 -2.7749 -2.7481 -2.7481 -2.0423 -2.0423 -2.0413 -2.0413 -1.8415 -1.8415 -1.4903 -1.4903 -1.4783 -1.4783 -1.3710 -1.3710 -1.3096 -1.3096 -1.2989 -1.2989 -1.2266 -1.2266 -0.9237 -0.9237 -0.9007 -0.9007 4.8420 4.8420 10.1298 10.1298 10.5586 10.5586 11.0022 11.0022 11.2652 11.2652 k = 0.0571 0.0310 0.0214 ( 12549 PWs) bands (ev): -41.4402 -41.4402 -22.3089 -22.3089 -21.2221 -21.2221 -21.1812 -21.1812 -21.1692 -21.1692 -20.5073 -20.5073 -20.5071 -20.5071 -7.8223 -7.8223 -4.8786 -4.8786 -4.7163 -4.7163 -4.5778 -4.5778 -2.9245 -2.9245 -2.7792 -2.7792 -2.7524 -2.7524 -2.0340 -2.0340 -2.0330 -2.0330 -1.8430 -1.8430 -1.4874 -1.4874 -1.4754 -1.4754 -1.3594 -1.3594 -1.3076 -1.3076 -1.2986 -1.2986 -1.2263 -1.2263 -0.9223 -0.9223 -0.8993 -0.8993 4.8276 4.8276 10.1666 10.1666 10.5265 10.5265 10.9859 10.9859 11.2563 11.2563 k = 0.0429 0.0233 0.0161 ( 12537 PWs) bands (ev): -41.4402 -41.4402 -22.3103 -22.3103 -21.2213 -21.2213 -21.1807 -21.1807 -21.1696 -21.1696 -20.5067 -20.5067 -20.5066 -20.5066 -7.8252 -7.8252 -4.8823 -4.8823 -4.7207 -4.7207 -4.5772 -4.5772 -2.9268 -2.9268 -2.7827 -2.7827 -2.7559 -2.7559 -2.0273 -2.0273 -2.0264 -2.0264 -1.8443 -1.8443 -1.4852 -1.4852 -1.4731 -1.4731 -1.3507 -1.3507 -1.3054 -1.3054 -1.2984 -1.2984 -1.2260 -1.2260 -0.9212 -0.9212 -0.8981 -0.8981 4.8163 4.8163 10.2012 10.2012 10.4957 10.4957 10.9729 10.9729 11.2494 11.2494 k = 0.0286 0.0155 0.0107 ( 12555 PWs) bands (ev): -41.4402 -41.4402 -22.3112 -22.3112 -21.2207 -21.2207 -21.1803 -21.1803 -21.1699 -21.1699 -20.5064 -20.5064 -20.5062 -20.5062 -7.8273 -7.8273 -4.8851 -4.8851 -4.7238 -4.7238 -4.5769 -4.5769 -2.9284 -2.9284 -2.7852 -2.7852 -2.7584 -2.7584 -2.0225 -2.0225 -2.0217 -2.0217 -1.8452 -1.8452 -1.4836 -1.4836 -1.4715 -1.4715 -1.3448 -1.3448 -1.3035 -1.3035 -1.2982 -1.2982 -1.2259 -1.2259 -0.9204 -0.9204 -0.8973 -0.8973 4.8082 4.8082 10.2316 10.2316 10.4680 10.4680 10.9636 10.9636 11.2444 11.2444 k = 0.0143 0.0078 0.0054 ( 12564 PWs) bands (ev): -41.4402 -41.4402 -22.3118 -22.3118 -21.2203 -21.2203 -21.1800 -21.1800 -21.1701 -21.1701 -20.5062 -20.5062 -20.5060 -20.5060 -7.8285 -7.8285 -4.8867 -4.8867 -4.7257 -4.7257 -4.5766 -4.5766 -2.9294 -2.9294 -2.7867 -2.7867 -2.7599 -2.7599 -2.0197 -2.0197 -2.0188 -2.0188 -1.8457 -1.8457 -1.4827 -1.4827 -1.4705 -1.4705 -1.3414 -1.3414 -1.3021 -1.3021 -1.2981 -1.2981 -1.2258 -1.2258 -0.9199 -0.9199 -0.8969 -0.8969 4.8033 4.8033 10.2541 10.2541 10.4471 10.4471 10.9580 10.9580 11.2414 11.2414 k = 0.0000 0.0000 0.0000 ( 12585 PWs) bands (ev): -41.4402 -41.4402 -22.3120 -22.3120 -21.2202 -21.2202 -21.1799 -21.1799 -21.1701 -21.1701 -20.5061 -20.5061 -20.5059 -20.5059 -7.8289 -7.8289 -4.8872 -4.8872 -4.7264 -4.7264 -4.5766 -4.5766 -2.9297 -2.9297 -2.7872 -2.7872 -2.7604 -2.7604 -2.0187 -2.0187 -2.0178 -2.0178 -1.8459 -1.8459 -1.4824 -1.4824 -1.4702 -1.4702 -1.3403 -1.3403 -1.3017 -1.3017 -1.2980 -1.2980 -1.2258 -1.2258 -0.9198 -0.9198 -0.8967 -0.8967 4.8016 4.8016 10.2628 10.2628 10.4389 10.4389 10.9561 10.9561 11.2404 11.2404 k = 0.0000 0.0000 0.0000 ( 12585 PWs) bands (ev): -41.4402 -41.4402 -22.3120 -22.3120 -21.2202 -21.2202 -21.1799 -21.1799 -21.1701 -21.1701 -20.5061 -20.5061 -20.5059 -20.5059 -7.8289 -7.8289 -4.8872 -4.8872 -4.7264 -4.7264 -4.5766 -4.5766 -2.9297 -2.9297 -2.7872 -2.7872 -2.7604 -2.7604 -2.0187 -2.0187 -2.0178 -2.0178 -1.8459 -1.8459 -1.4824 -1.4824 -1.4702 -1.4702 -1.3403 -1.3403 -1.3017 -1.3017 -1.2980 -1.2980 -1.2258 -1.2258 -0.9198 -0.9198 -0.8967 -0.8967 4.8016 4.8016 10.2628 10.2628 10.4389 10.4389 10.9561 10.9561 11.2404 11.2404 k = 0.0082-0.0053-0.0142 ( 12567 PWs) bands (ev): -41.4402 -41.4402 -22.3118 -22.3118 -21.2202 -21.2202 -21.1800 -21.1800 -21.1702 -21.1702 -20.5062 -20.5062 -20.5060 -20.5060 -7.8287 -7.8287 -4.8869 -4.8869 -4.7261 -4.7261 -4.5763 -4.5763 -2.9291 -2.9291 -2.7869 -2.7869 -2.7601 -2.7601 -2.0204 -2.0204 -2.0186 -2.0186 -1.8445 -1.8445 -1.4828 -1.4828 -1.4704 -1.4704 -1.3408 -1.3408 -1.3029 -1.3029 -1.2993 -1.2993 -1.2242 -1.2242 -0.9198 -0.9198 -0.8968 -0.8968 4.8032 4.8032 10.2611 10.2611 10.4379 10.4379 10.9589 10.9589 11.2426 11.2426 k = 0.0164-0.0107-0.0283 ( 12557 PWs) bands (ev): -41.4402 -41.4402 -22.3112 -22.3112 -21.2203 -21.2203 -21.1800 -21.1800 -21.1706 -21.1706 -20.5065 -20.5065 -20.5061 -20.5061 -7.8279 -7.8279 -4.8861 -4.8861 -4.7252 -4.7252 -4.5756 -4.5756 -2.9273 -2.9273 -2.7861 -2.7861 -2.7589 -2.7589 -2.0263 -2.0263 -2.0201 -2.0201 -1.8405 -1.8405 -1.4839 -1.4839 -1.4711 -1.4711 -1.3422 -1.3422 -1.3081 -1.3081 -1.3011 -1.3011 -1.2199 -1.2199 -0.9200 -0.9200 -0.8970 -0.8970 4.8079 4.8079 10.2556 10.2556 10.4355 10.4355 10.9669 10.9669 11.2493 11.2493 k = 0.0246-0.0160-0.0425 ( 12559 PWs) bands (ev): -41.4402 -41.4402 -22.3101 -22.3101 -21.2203 -21.2203 -21.1802 -21.1802 -21.1711 -21.1711 -20.5072 -20.5072 -20.5062 -20.5062 -7.8266 -7.8266 -4.8847 -4.8847 -4.7238 -4.7238 -4.5744 -4.5744 -2.9243 -2.9243 -2.7852 -2.7852 -2.7567 -2.7567 -2.0357 -2.0357 -2.0224 -2.0224 -1.8344 -1.8344 -1.4861 -1.4861 -1.4721 -1.4721 -1.3450 -1.3450 -1.3162 -1.3162 -1.3030 -1.3030 -1.2139 -1.2139 -0.9203 -0.9203 -0.8974 -0.8974 4.8156 4.8156 10.2458 10.2458 10.4334 10.4334 10.9787 10.9787 11.2608 11.2608 k = 0.0329-0.0214-0.0567 ( 12557 PWs) bands (ev): -41.4402 -41.4402 -22.3086 -22.3086 -21.2205 -21.2205 -21.1804 -21.1804 -21.1717 -21.1717 -20.5082 -20.5082 -20.5064 -20.5064 -7.8248 -7.8248 -4.8829 -4.8829 -4.7217 -4.7217 -4.5727 -4.5727 -2.9201 -2.9201 -2.7847 -2.7847 -2.7527 -2.7527 -2.0480 -2.0480 -2.0256 -2.0256 -1.8267 -1.8267 -1.4894 -1.4894 -1.4732 -1.4732 -1.3500 -1.3500 -1.3251 -1.3251 -1.3052 -1.3052 -1.2069 -1.2069 -0.9207 -0.9207 -0.8980 -0.8980 4.8264 4.8264 10.2309 10.2309 10.4332 10.4332 10.9926 10.9926 11.2774 11.2774 k = 0.0411-0.0267-0.0708 ( 12557 PWs) bands (ev): -41.4402 -41.4402 -22.3068 -22.3068 -21.2207 -21.2207 -21.1808 -21.1808 -21.1724 -21.1724 -20.5094 -20.5094 -20.5066 -20.5066 -7.8225 -7.8225 -4.8805 -4.8805 -4.7192 -4.7192 -4.5705 -4.5705 -2.9147 -2.9147 -2.7849 -2.7849 -2.7469 -2.7469 -2.0626 -2.0626 -2.0297 -2.0297 -1.8180 -1.8180 -1.4943 -1.4943 -1.4744 -1.4744 -1.3586 -1.3586 -1.3326 -1.3326 -1.3079 -1.3079 -1.1994 -1.1994 -0.9213 -0.9213 -0.8988 -0.8988 4.8401 4.8401 10.2110 10.2110 10.4364 10.4364 11.0070 11.0070 11.2996 11.2996 k = 0.0493-0.0320-0.0850 ( 12557 PWs) bands (ev): -41.4402 -41.4402 -22.3045 -22.3045 -21.2211 -21.2211 -21.1814 -21.1814 -21.1730 -21.1730 -20.5109 -20.5109 -20.5068 -20.5068 -7.8197 -7.8197 -4.8778 -4.8778 -4.7160 -4.7160 -4.5676 -4.5676 -2.9082 -2.9082 -2.7859 -2.7859 -2.7390 -2.7390 -2.0792 -2.0792 -2.0347 -2.0347 -1.8087 -1.8087 -1.5009 -1.5009 -1.4757 -1.4757 -1.3705 -1.3705 -1.3384 -1.3384 -1.3110 -1.3110 -1.1917 -1.1917 -0.9221 -0.9221 -0.8996 -0.8996 4.8567 4.8567 10.1868 10.1868 10.4432 10.4432 11.0207 11.0207 11.3274 11.3274 k = 0.0575-0.0374-0.0992 ( 12551 PWs) bands (ev): -41.4402 -41.4402 -22.3018 -22.3018 -21.2217 -21.2217 -21.1823 -21.1823 -21.1733 -21.1733 -20.5126 -20.5126 -20.5071 -20.5071 -7.8164 -7.8164 -4.8747 -4.8747 -4.7123 -4.7123 -4.5642 -4.5642 -2.9007 -2.9007 -2.7876 -2.7876 -2.7293 -2.7293 -2.0974 -2.0974 -2.0405 -2.0405 -1.7990 -1.7990 -1.5096 -1.5096 -1.4773 -1.4773 -1.3843 -1.3843 -1.3434 -1.3434 -1.3143 -1.3143 -1.1840 -1.1840 -0.9230 -0.9230 -0.9007 -0.9007 4.8759 4.8759 10.1591 10.1591 10.4534 10.4534 11.0328 11.0328 11.3604 11.3604 k = 0.0657-0.0427-0.1133 ( 12551 PWs) bands (ev): -41.4402 -41.4402 -22.2987 -22.2987 -21.2225 -21.2225 -21.1835 -21.1835 -21.1734 -21.1734 -20.5145 -20.5145 -20.5075 -20.5075 -7.8126 -7.8126 -4.8713 -4.8713 -4.7081 -4.7081 -4.5600 -4.5600 -2.8921 -2.8921 -2.7898 -2.7898 -2.7178 -2.7178 -2.1169 -2.1169 -2.0470 -2.0470 -1.7894 -1.7894 -1.5206 -1.5206 -1.4792 -1.4792 -1.3985 -1.3985 -1.3483 -1.3483 -1.3177 -1.3177 -1.1762 -1.1762 -0.9242 -0.9242 -0.9019 -0.9019 4.8977 4.8977 10.1292 10.1292 10.4666 10.4666 11.0435 11.0435 11.3980 11.3980 k = 0.0739-0.0481-0.1275 ( 12547 PWs) bands (ev): -41.4402 -41.4402 -22.2953 -22.2953 -21.2236 -21.2236 -21.1851 -21.1851 -21.1731 -21.1731 -20.5166 -20.5166 -20.5079 -20.5079 -7.8084 -7.8084 -4.8677 -4.8677 -4.7033 -4.7033 -4.5551 -4.5551 -2.8824 -2.8824 -2.7923 -2.7923 -2.7049 -2.7049 -2.1375 -2.1375 -2.0543 -2.0543 -1.7800 -1.7800 -1.5345 -1.5345 -1.4817 -1.4817 -1.4118 -1.4118 -1.3536 -1.3536 -1.3211 -1.3211 -1.1685 -1.1685 -0.9256 -0.9256 -0.9032 -0.9032 4.9220 4.9220 10.0979 10.0979 10.4820 10.4820 11.0527 11.0527 11.4393 11.4393 k = 0.0821-0.0534-0.1416 ( 12547 PWs) bands (ev): -41.4402 -41.4402 -22.2915 -22.2915 -21.2251 -21.2251 -21.1868 -21.1868 -21.1725 -21.1725 -20.5189 -20.5189 -20.5084 -20.5084 -7.8037 -7.8037 -4.8638 -4.8638 -4.6981 -4.6981 -4.5494 -4.5494 -2.8719 -2.8719 -2.7951 -2.7951 -2.6908 -2.6908 -2.1589 -2.1589 -2.0624 -2.0624 -1.7709 -1.7709 -1.5516 -1.5516 -1.4849 -1.4849 -1.4234 -1.4234 -1.3595 -1.3595 -1.3246 -1.3246 -1.1608 -1.1608 -0.9272 -0.9272 -0.9047 -0.9047 4.9484 4.9484 10.0661 10.0661 10.4991 10.4991 11.0609 11.0609 11.4836 11.4836 k = 0.0903-0.0587-0.1558 ( 12543 PWs) bands (ev): -41.4402 -41.4402 -22.2874 -22.2874 -21.2269 -21.2269 -21.1887 -21.1887 -21.1716 -21.1716 -20.5214 -20.5214 -20.5089 -20.5089 -7.7986 -7.7986 -4.8599 -4.8599 -4.6926 -4.6926 -4.5428 -4.5428 -2.8606 -2.8606 -2.7980 -2.7980 -2.6755 -2.6755 -2.1808 -2.1808 -2.0710 -2.0710 -1.7626 -1.7626 -1.5717 -1.5717 -1.4889 -1.4889 -1.4329 -1.4329 -1.3660 -1.3660 -1.3279 -1.3279 -1.1533 -1.1533 -0.9291 -0.9291 -0.9063 -0.9063 4.9769 4.9769 10.0343 10.0343 10.5173 10.5173 11.0686 11.0686 11.5300 11.5300 k = 0.0986-0.0641-0.1700 ( 12550 PWs) bands (ev): -41.4402 -41.4402 -22.2829 -22.2829 -21.2292 -21.2292 -21.1906 -21.1906 -21.1705 -21.1705 -20.5240 -20.5240 -20.5095 -20.5095 -7.7931 -7.7931 -4.8558 -4.8558 -4.6866 -4.6866 -4.5354 -4.5354 -2.8486 -2.8486 -2.8007 -2.8007 -2.6595 -2.6595 -2.2031 -2.2031 -2.0802 -2.0802 -1.7553 -1.7553 -1.5946 -1.5946 -1.4936 -1.4936 -1.4403 -1.4403 -1.3730 -1.3730 -1.3311 -1.3311 -1.1459 -1.1459 -0.9313 -0.9313 -0.9080 -0.9080 5.0073 5.0073 10.0031 10.0031 10.5358 10.5358 11.0763 11.0763 11.5779 11.5779 k = 0.1068-0.0694-0.1841 ( 12556 PWs) bands (ev): -41.4402 -41.4402 -22.2782 -22.2782 -21.2318 -21.2318 -21.1926 -21.1926 -21.1692 -21.1692 -20.5266 -20.5266 -20.5102 -20.5102 -7.7872 -7.7872 -4.8517 -4.8517 -4.6805 -4.6805 -4.5269 -4.5269 -2.8367 -2.8367 -2.8027 -2.8027 -2.6431 -2.6431 -2.2253 -2.2253 -2.0900 -2.0900 -1.7497 -1.7497 -1.6193 -1.6193 -1.4990 -1.4990 -1.4459 -1.4459 -1.3807 -1.3807 -1.3342 -1.3342 -1.1386 -1.1386 -0.9337 -0.9337 -0.9099 -0.9099 5.0393 5.0393 9.9728 9.9728 10.5539 10.5539 11.0845 11.0845 11.6266 11.6266 k = 0.1150-0.0748-0.1983 ( 12560 PWs) bands (ev): -41.4402 -41.4402 -22.2732 -22.2732 -21.2348 -21.2348 -21.1946 -21.1946 -21.1677 -21.1677 -20.5294 -20.5294 -20.5110 -20.5110 -7.7810 -7.7810 -4.8475 -4.8475 -4.6741 -4.6741 -4.5175 -4.5175 -2.8263 -2.8263 -2.8024 -2.8024 -2.6265 -2.6265 -2.2470 -2.2470 -2.1001 -2.1001 -1.7469 -1.7469 -1.6443 -1.6443 -1.5047 -1.5047 -1.4502 -1.4502 -1.3888 -1.3888 -1.3372 -1.3372 -1.1315 -1.1315 -0.9363 -0.9363 -0.9119 -0.9119 5.0728 5.0728 9.9438 9.9438 10.5712 10.5712 11.0935 11.0935 11.6756 11.6756 k = 0.1232-0.0801-0.2125 ( 12562 PWs) bands (ev): -41.4402 -41.4402 -22.2679 -22.2679 -21.2382 -21.2382 -21.1966 -21.1966 -21.1661 -21.1661 -20.5322 -20.5322 -20.5118 -20.5118 -7.7744 -7.7744 -4.8433 -4.8433 -4.6675 -4.6675 -4.5072 -4.5072 -2.8214 -2.8214 -2.7959 -2.7959 -2.6105 -2.6105 -2.2678 -2.2678 -2.1105 -2.1105 -1.7495 -1.7495 -1.6668 -1.6668 -1.5106 -1.5106 -1.4538 -1.4538 -1.3973 -1.3973 -1.3401 -1.3401 -1.1246 -1.1246 -0.9392 -0.9392 -0.9141 -0.9141 5.1075 5.1075 9.9163 9.9163 10.5867 10.5867 11.1038 11.1038 11.7246 11.7246 k = 0.1314-0.0855-0.2266 ( 12564 PWs) bands (ev): -41.4402 -41.4402 -22.2624 -22.2624 -21.2418 -21.2418 -21.1986 -21.1986 -21.1644 -21.1644 -20.5349 -20.5349 -20.5128 -20.5128 -7.7675 -7.7675 -4.8391 -4.8391 -4.6609 -4.6609 -4.4959 -4.4959 -2.8215 -2.8215 -2.7838 -2.7838 -2.5956 -2.5956 -2.2868 -2.2868 -2.1210 -2.1210 -1.7614 -1.7614 -1.6826 -1.6826 -1.5164 -1.5164 -1.4569 -1.4569 -1.4060 -1.4060 -1.3428 -1.3428 -1.1179 -1.1179 -0.9422 -0.9422 -0.9164 -0.9164 5.1432 5.1432 9.8906 9.8906 10.6001 10.6001 11.1156 11.1156 11.7731 11.7731 k = 0.1396-0.0908-0.2408 ( 12560 PWs) bands (ev): -41.4402 -41.4402 -22.2568 -22.2568 -21.2457 -21.2457 -21.2006 -21.2006 -21.1626 -21.1626 -20.5377 -20.5377 -20.5138 -20.5138 -7.7604 -7.7604 -4.8348 -4.8348 -4.6543 -4.6543 -4.4838 -4.4838 -2.8235 -2.8235 -2.7693 -2.7693 -2.5826 -2.5826 -2.3033 -2.3033 -2.1314 -2.1314 -1.7839 -1.7839 -1.6902 -1.6902 -1.5221 -1.5221 -1.4600 -1.4600 -1.4149 -1.4149 -1.3454 -1.3454 -1.1114 -1.1114 -0.9455 -0.9455 -0.9190 -0.9190 5.1796 5.1796 9.8667 9.8667 10.6107 10.6107 11.1292 11.1292 11.8207 11.8207 k = 0.1478-0.0961-0.2550 ( 12560 PWs) bands (ev): -41.4402 -41.4402 -22.2509 -22.2509 -21.2498 -21.2498 -21.2026 -21.2026 -21.1609 -21.1609 -20.5404 -20.5404 -20.5150 -20.5150 -7.7529 -7.7529 -4.8305 -4.8305 -4.6475 -4.6475 -4.4710 -4.4710 -2.8260 -2.8260 -2.7539 -2.7539 -2.5727 -2.5727 -2.3162 -2.3162 -2.1415 -2.1415 -1.8135 -1.8135 -1.6928 -1.6928 -1.5275 -1.5275 -1.4633 -1.4633 -1.4237 -1.4237 -1.3478 -1.3478 -1.1051 -1.1051 -0.9490 -0.9490 -0.9217 -0.9217 5.2167 5.2167 9.8449 9.8449 10.6181 10.6181 11.1445 11.1445 11.8673 11.8673 k = 0.1561-0.1015-0.2691 ( 12566 PWs) bands (ev): -41.4402 -41.4402 -22.2449 -22.2449 -21.2540 -21.2540 -21.2046 -21.2046 -21.1591 -21.1591 -20.5430 -20.5430 -20.5162 -20.5162 -7.7453 -7.7453 -4.8261 -4.8261 -4.6408 -4.6408 -4.4575 -4.4575 -2.8287 -2.8287 -2.7383 -2.7383 -2.5666 -2.5666 -2.3248 -2.3248 -2.1509 -2.1509 -1.8468 -1.8468 -1.6938 -1.6938 -1.5325 -1.5325 -1.4672 -1.4672 -1.4322 -1.4322 -1.3499 -1.3499 -1.0991 -1.0991 -0.9527 -0.9527 -0.9246 -0.9246 5.2541 5.2541 9.8253 9.8253 10.6222 10.6222 11.1614 11.1614 11.9124 11.9124 k = 0.1643-0.1068-0.2833 ( 12550 PWs) bands (ev): -41.4402 -41.4402 -22.2388 -22.2388 -21.2583 -21.2583 -21.2066 -21.2066 -21.1574 -21.1574 -20.5455 -20.5455 -20.5175 -20.5175 -7.7375 -7.7375 -4.8216 -4.8216 -4.6340 -4.6340 -4.4436 -4.4436 -2.8313 -2.8313 -2.7231 -2.7231 -2.5645 -2.5645 -2.3287 -2.3287 -2.1593 -2.1593 -1.8820 -1.8820 -1.6948 -1.6948 -1.5371 -1.5371 -1.4720 -1.4720 -1.4400 -1.4400 -1.3517 -1.3517 -1.0933 -1.0933 -0.9565 -0.9565 -0.9277 -0.9277 5.2916 5.2916 9.8080 9.8080 10.6229 10.6229 11.1795 11.1795 11.9560 11.9560 k = 0.1725-0.1122-0.2975 ( 12546 PWs) bands (ev): -41.4402 -41.4402 -22.2326 -22.2326 -21.2626 -21.2626 -21.2086 -21.2086 -21.1559 -21.1559 -20.5478 -20.5478 -20.5190 -20.5190 -7.7294 -7.7294 -4.8171 -4.8171 -4.6271 -4.6271 -4.4295 -4.4295 -2.8338 -2.8338 -2.7090 -2.7090 -2.5661 -2.5661 -2.3285 -2.3285 -2.1660 -2.1660 -1.9179 -1.9179 -1.6963 -1.6963 -1.5413 -1.5413 -1.4780 -1.4780 -1.4470 -1.4470 -1.3533 -1.3533 -1.0877 -1.0877 -0.9606 -0.9606 -0.9310 -0.9310 5.3292 5.3292 9.7931 9.7931 10.6203 10.6203 11.1984 11.1984 11.9979 11.9979 k = 0.1807-0.1175-0.3116 ( 12562 PWs) bands (ev): -41.4402 -41.4402 -22.2264 -22.2264 -21.2668 -21.2668 -21.2106 -21.2106 -21.1544 -21.1544 -20.5499 -20.5499 -20.5205 -20.5205 -7.7213 -7.7213 -4.8125 -4.8125 -4.6202 -4.6202 -4.4152 -4.4152 -2.8362 -2.8362 -2.6967 -2.6967 -2.5696 -2.5696 -2.3255 -2.3255 -2.1707 -2.1707 -1.9538 -1.9538 -1.6988 -1.6988 -1.5452 -1.5452 -1.4852 -1.4852 -1.4531 -1.4531 -1.3545 -1.3545 -1.0824 -1.0824 -0.9648 -0.9648 -0.9345 -0.9345 5.3664 5.3664 9.7807 9.7807 10.6146 10.6146 11.2174 11.2174 12.0379 12.0379 k = 0.1889-0.1228-0.3258 ( 12550 PWs) bands (ev): -41.4402 -41.4402 -22.2202 -22.2202 -21.2709 -21.2709 -21.2127 -21.2127 -21.1532 -21.1532 -20.5518 -20.5518 -20.5222 -20.5222 -7.7131 -7.7131 -4.8077 -4.8077 -4.6132 -4.6132 -4.4010 -4.4010 -2.8386 -2.8386 -2.6877 -2.6877 -2.5729 -2.5729 -2.3216 -2.3216 -2.1731 -2.1731 -1.9886 -1.9886 -1.7023 -1.7023 -1.5489 -1.5489 -1.4933 -1.4933 -1.4585 -1.4585 -1.3553 -1.3553 -1.0774 -1.0774 -0.9692 -0.9692 -0.9382 -0.9382 5.4032 5.4032 9.7708 9.7708 10.6060 10.6060 11.2360 11.2360 12.0759 12.0759 k = 0.1971-0.1282-0.3399 ( 12550 PWs) bands (ev): -41.4402 -41.4402 -22.2140 -22.2140 -21.2749 -21.2749 -21.2148 -21.2148 -21.1521 -21.1521 -20.5535 -20.5535 -20.5239 -20.5239 -7.7047 -7.7047 -4.8029 -4.8029 -4.6061 -4.6061 -4.3872 -4.3872 -2.8409 -2.8409 -2.6830 -2.6830 -2.5738 -2.5738 -2.3183 -2.3183 -2.1740 -2.1740 -2.0206 -2.0206 -1.7068 -1.7068 -1.5527 -1.5527 -1.5019 -1.5019 -1.4635 -1.4635 -1.3558 -1.3558 -1.0726 -1.0726 -0.9738 -0.9738 -0.9421 -0.9421 5.4395 5.4395 9.7634 9.7634 10.5948 10.5948 11.2534 11.2534 12.1119 12.1119 k = 0.2053-0.1335-0.3541 ( 12550 PWs) bands (ev): -41.4402 -41.4402 -22.2078 -22.2078 -21.2787 -21.2787 -21.2169 -21.2169 -21.1513 -21.1513 -20.5549 -20.5549 -20.5258 -20.5258 -7.6964 -7.6964 -4.7979 -4.7979 -4.5989 -4.5989 -4.3738 -4.3738 -2.8432 -2.8432 -2.6830 -2.6830 -2.5712 -2.5712 -2.3162 -2.3162 -2.1765 -2.1765 -2.0463 -2.0463 -1.7123 -1.7123 -1.5568 -1.5568 -1.5106 -1.5106 -1.4684 -1.4684 -1.3559 -1.3559 -1.0682 -1.0682 -0.9786 -0.9786 -0.9462 -0.9462 5.4750 5.4750 9.7586 9.7586 10.5814 10.5814 11.2690 11.2690 12.1458 12.1458 k = 0.2135-0.1389-0.3683 ( 12554 PWs) bands (ev): -41.4402 -41.4402 -22.2018 -22.2018 -21.2823 -21.2823 -21.2190 -21.2190 -21.1507 -21.1507 -20.5560 -20.5560 -20.5277 -20.5277 -7.6881 -7.6881 -4.7929 -4.7929 -4.5916 -4.5916 -4.3612 -4.3612 -2.8455 -2.8455 -2.6868 -2.6868 -2.5657 -2.5657 -2.3151 -2.3151 -2.1862 -2.1862 -2.0604 -2.0604 -1.7186 -1.7186 -1.5616 -1.5616 -1.5188 -1.5188 -1.4733 -1.4733 -1.3556 -1.3556 -1.0640 -1.0640 -0.9836 -0.9836 -0.9505 -0.9505 5.5095 5.5095 9.7563 9.7563 10.5660 10.5660 11.2824 11.2824 12.1778 12.1778 k = 0.2218-0.1442-0.3824 ( 12554 PWs) bands (ev): -41.4402 -41.4402 -22.1959 -22.1959 -21.2856 -21.2856 -21.2211 -21.2211 -21.1505 -21.1505 -20.5568 -20.5568 -20.5298 -20.5298 -7.6797 -7.6797 -4.7876 -4.7876 -4.5841 -4.5841 -4.3496 -4.3496 -2.8479 -2.8479 -2.6926 -2.6926 -2.5590 -2.5590 -2.3141 -2.3141 -2.2066 -2.2066 -2.0602 -2.0602 -1.7256 -1.7256 -1.5676 -1.5676 -1.5263 -1.5263 -1.4784 -1.4784 -1.3550 -1.3550 -1.0601 -1.0601 -0.9886 -0.9886 -0.9549 -0.9549 5.5431 5.5431 9.7567 9.7567 10.5490 10.5490 11.2929 11.2929 12.2079 12.2079 k = 0.2300-0.1495-0.3966 ( 12546 PWs) bands (ev): -41.4402 -41.4402 -22.1901 -22.1901 -21.2886 -21.2886 -21.2233 -21.2233 -21.1505 -21.1505 -20.5574 -20.5574 -20.5318 -20.5318 -7.6715 -7.6715 -4.7823 -4.7823 -4.5765 -4.5765 -4.3390 -4.3390 -2.8504 -2.8504 -2.6987 -2.6987 -2.5527 -2.5527 -2.3123 -2.3123 -2.2352 -2.2352 -2.0490 -2.0490 -1.7332 -1.7332 -1.5749 -1.5749 -1.5327 -1.5327 -1.4838 -1.4838 -1.3541 -1.3541 -1.0566 -1.0566 -0.9938 -0.9938 -0.9594 -0.9594 5.5755 5.5755 9.7595 9.7595 10.5307 10.5307 11.3003 11.3003 12.2363 12.2363 k = 0.2382-0.1549-0.4108 ( 12552 PWs) bands (ev): -41.4402 -41.4402 -22.1845 -22.1845 -21.2913 -21.2913 -21.2254 -21.2254 -21.1508 -21.1508 -20.5577 -20.5577 -20.5340 -20.5340 -7.6633 -7.6633 -4.7768 -4.7768 -4.5687 -4.5687 -4.3298 -4.3298 -2.8529 -2.8529 -2.7041 -2.7041 -2.5481 -2.5481 -2.3090 -2.3090 -2.2676 -2.2676 -2.0314 -2.0314 -1.7410 -1.7410 -1.5835 -1.5835 -1.5382 -1.5382 -1.4894 -1.4894 -1.3530 -1.3530 -1.0534 -1.0534 -0.9990 -0.9990 -0.9640 -0.9640 5.6066 5.6066 9.7648 9.7648 10.5114 10.5114 11.3043 11.3043 12.2630 12.2630 k = 0.2464-0.1602-0.4249 ( 12546 PWs) bands (ev): -41.4402 -41.4402 -22.1791 -22.1791 -21.2935 -21.2935 -21.2275 -21.2275 -21.1514 -21.1514 -20.5577 -20.5577 -20.5361 -20.5361 -7.6552 -7.6552 -4.7713 -4.7713 -4.5607 -4.5607 -4.3220 -4.3220 -2.8552 -2.8552 -2.7081 -2.7081 -2.5458 -2.5458 -2.3102 -2.3102 -2.2949 -2.2949 -2.0103 -2.0103 -1.7491 -1.7491 -1.5932 -1.5932 -1.5431 -1.5431 -1.4952 -1.4952 -1.3518 -1.3518 -1.0507 -1.0507 -1.0042 -1.0042 -0.9687 -0.9687 5.6365 5.6365 9.7724 9.7724 10.4913 10.4913 11.3047 11.3047 12.2882 12.2882 k = 0.2546-0.1656-0.4391 ( 12552 PWs) bands (ev): -41.4402 -41.4402 -22.1739 -22.1739 -21.2955 -21.2955 -21.2296 -21.2296 -21.1523 -21.1523 -20.5576 -20.5576 -20.5381 -20.5381 -7.6473 -7.6473 -4.7656 -4.7656 -4.5527 -4.5527 -4.3157 -4.3157 -2.8571 -2.8571 -2.7105 -2.7105 -2.5463 -2.5463 -2.3411 -2.3411 -2.2904 -2.2904 -1.9875 -1.9875 -1.7572 -1.7572 -1.6038 -1.6038 -1.5477 -1.5477 -1.5011 -1.5011 -1.3506 -1.3506 -1.0486 -1.0486 -1.0091 -1.0091 -0.9735 -0.9735 5.6649 5.6649 9.7824 9.7824 10.4707 10.4707 11.3016 11.3016 12.3121 12.3121 k = 0.2628-0.1709-0.4533 ( 12560 PWs) bands (ev): -41.4402 -41.4402 -22.1690 -22.1690 -21.2970 -21.2970 -21.2317 -21.2317 -21.1535 -21.1535 -20.5575 -20.5575 -20.5399 -20.5399 -7.6396 -7.6396 -4.7598 -4.7598 -4.5445 -4.5445 -4.3111 -4.3111 -2.8586 -2.8586 -2.7111 -2.7111 -2.5492 -2.5492 -2.3766 -2.3766 -2.2788 -2.2788 -1.9640 -1.9640 -1.7651 -1.7651 -1.6149 -1.6149 -1.5523 -1.5523 -1.5071 -1.5071 -1.3493 -1.3493 -1.0473 -1.0473 -1.0136 -1.0136 -0.9781 -0.9781 5.6919 5.6919 9.7944 9.7944 10.4498 10.4498 11.2950 11.2950 12.3348 12.3348 k = 0.2710-0.1762-0.4674 ( 12552 PWs) bands (ev): -41.4402 -41.4402 -22.1644 -22.1644 -21.2980 -21.2980 -21.2338 -21.2338 -21.1550 -21.1550 -20.5576 -20.5576 -20.5412 -20.5412 -7.6321 -7.6321 -4.7540 -4.7540 -4.5362 -4.5362 -4.3082 -4.3082 -2.8594 -2.8594 -2.7099 -2.7099 -2.5542 -2.5542 -2.4121 -2.4121 -2.2644 -2.2644 -1.9406 -1.9406 -1.7724 -1.7724 -1.6265 -1.6265 -1.5571 -1.5571 -1.5131 -1.5131 -1.3482 -1.3482 -1.0471 -1.0471 -1.0174 -1.0174 -0.9827 -0.9827 5.7173 5.7173 9.8083 9.8083 10.4290 10.4290 11.2851 11.2851 12.3565 12.3565 k = 0.2793-0.1816-0.4816 ( 12554 PWs) bands (ev): -41.4402 -41.4402 -22.1601 -22.1601 -21.2987 -21.2987 -21.2358 -21.2358 -21.1568 -21.1568 -20.5582 -20.5582 -20.5419 -20.5419 -7.6247 -7.6247 -4.7481 -4.7481 -4.5278 -4.5278 -4.3071 -4.3071 -2.8593 -2.8593 -2.7072 -2.7072 -2.5605 -2.5605 -2.4473 -2.4473 -2.2480 -2.2480 -1.9182 -1.9182 -1.7787 -1.7787 -1.6383 -1.6383 -1.5623 -1.5623 -1.5191 -1.5191 -1.3472 -1.3472 -1.0484 -1.0484 -1.0203 -1.0203 -0.9868 -0.9868 5.7413 5.7413 9.8240 9.8240 10.4085 10.4085 11.2722 11.2722 12.3774 12.3774 k = 0.2875-0.1869-0.4958 ( 12552 PWs) bands (ev): -41.4402 -41.4402 -22.1561 -22.1561 -21.2989 -21.2989 -21.2378 -21.2378 -21.1589 -21.1589 -20.5594 -20.5594 -20.5417 -20.5417 -7.6177 -7.6177 -4.7422 -4.7422 -4.5194 -4.5194 -4.3076 -4.3076 -2.8584 -2.8584 -2.7029 -2.7029 -2.5676 -2.5676 -2.4819 -2.4819 -2.2301 -2.2301 -1.8979 -1.8979 -1.7832 -1.7832 -1.6503 -1.6503 -1.5679 -1.5679 -1.5249 -1.5249 -1.3463 -1.3463 -1.0511 -1.0511 -1.0224 -1.0224 -0.9904 -0.9904 5.7638 5.7638 9.8412 9.8412 10.3885 10.3885 11.2565 11.2565 12.3976 12.3976 k = 0.2957-0.1923-0.5099 ( 12564 PWs) bands (ev): -41.4402 -41.4402 -22.1524 -22.1524 -21.2988 -21.2988 -21.2397 -21.2397 -21.1612 -21.1612 -20.5613 -20.5613 -20.5407 -20.5407 -7.6109 -7.6109 -4.7363 -4.7363 -4.5109 -4.5109 -4.3096 -4.3096 -2.8568 -2.8568 -2.6973 -2.6973 -2.5748 -2.5748 -2.5156 -2.5156 -2.2113 -2.2113 -1.8812 -1.8812 -1.7847 -1.7847 -1.6625 -1.6625 -1.5739 -1.5739 -1.5306 -1.5306 -1.3458 -1.3458 -1.0551 -1.0551 -1.0243 -1.0243 -0.9931 -0.9931 5.7848 5.7848 9.8594 9.8594 10.3696 10.3696 11.2384 11.2384 12.4171 12.4171 k = 0.3039-0.1976-0.5241 ( 12568 PWs) bands (ev): -41.4402 -41.4402 -22.1490 -22.1490 -21.2982 -21.2982 -21.2416 -21.2416 -21.1637 -21.1637 -20.5636 -20.5636 -20.5389 -20.5389 -7.6044 -7.6044 -4.7304 -4.7304 -4.5025 -4.5025 -4.3131 -4.3131 -2.8547 -2.8547 -2.6904 -2.6904 -2.5816 -2.5816 -2.5483 -2.5483 -2.1920 -2.1920 -1.8698 -1.8698 -1.7818 -1.7818 -1.6747 -1.6747 -1.5801 -1.5801 -1.5361 -1.5361 -1.3455 -1.3455 -1.0598 -1.0598 -1.0266 -1.0266 -0.9945 -0.9945 5.8043 5.8043 9.8784 9.8784 10.3519 10.3519 11.2183 11.2183 12.4361 12.4361 k = 0.3121-0.2030-0.5382 ( 12582 PWs) bands (ev): -41.4402 -41.4402 -22.1460 -22.1460 -21.2973 -21.2973 -21.2433 -21.2433 -21.1664 -21.1664 -20.5664 -20.5664 -20.5367 -20.5367 -7.5981 -7.5981 -4.7246 -4.7246 -4.4942 -4.4942 -4.3179 -4.3179 -2.8525 -2.8525 -2.6826 -2.6826 -2.5887 -2.5887 -2.5782 -2.5782 -2.1723 -2.1723 -1.8647 -1.8647 -1.7741 -1.7741 -1.6869 -1.6869 -1.5862 -1.5862 -1.5415 -1.5415 -1.3455 -1.3455 -1.0651 -1.0651 -1.0297 -1.0297 -0.9945 -0.9945 5.8224 5.8224 9.8977 9.8977 10.3360 10.3360 11.1966 11.1966 12.4546 12.4546 k = 0.3203-0.2083-0.5524 ( 12568 PWs) bands (ev): -41.4402 -41.4402 -22.1433 -22.1433 -21.2960 -21.2960 -21.2450 -21.2450 -21.1693 -21.1693 -20.5694 -20.5694 -20.5341 -20.5341 -7.5922 -7.5922 -4.7189 -4.7189 -4.4861 -4.4861 -4.3237 -4.3237 -2.8506 -2.8506 -2.6744 -2.6744 -2.6110 -2.6110 -2.5893 -2.5893 -2.1527 -2.1527 -1.8645 -1.8645 -1.7636 -1.7636 -1.6988 -1.6988 -1.5916 -1.5916 -1.5469 -1.5469 -1.3458 -1.3458 -1.0706 -1.0706 -1.0337 -1.0337 -0.9931 -0.9931 5.8390 5.8390 9.9166 9.9166 10.3223 10.3223 11.1737 11.1737 12.4726 12.4726 k = 0.3285-0.2136-0.5666 ( 12560 PWs) bands (ev): -41.4402 -41.4402 -22.1408 -22.1408 -21.2945 -21.2945 -21.2465 -21.2465 -21.1723 -21.1723 -20.5725 -20.5725 -20.5311 -20.5311 -7.5866 -7.5866 -4.7133 -4.7133 -4.4783 -4.4783 -4.3302 -4.3302 -2.8496 -2.8496 -2.6696 -2.6696 -2.6342 -2.6342 -2.5915 -2.5915 -2.1334 -2.1334 -1.8675 -1.8675 -1.7535 -1.7535 -1.7098 -1.7098 -1.5957 -1.5957 -1.5521 -1.5521 -1.3463 -1.3463 -1.0762 -1.0762 -1.0384 -1.0384 -0.9908 -0.9908 5.8543 5.8543 9.9345 9.9345 10.3115 10.3115 11.1498 11.1498 12.4902 12.4902 k = 0.3367-0.2190-0.5807 ( 12554 PWs) bands (ev): -41.4402 -41.4402 -22.1387 -22.1387 -21.2927 -21.2927 -21.2478 -21.2478 -21.1754 -21.1754 -20.5758 -20.5758 -20.5280 -20.5280 -7.5813 -7.5813 -4.7078 -4.7078 -4.4710 -4.4710 -4.3371 -4.3371 -2.8497 -2.8497 -2.6823 -2.6823 -2.6377 -2.6377 -2.5910 -2.5910 -2.1145 -2.1145 -1.8721 -1.8721 -1.7482 -1.7482 -1.7182 -1.7182 -1.5974 -1.5974 -1.5572 -1.5572 -1.3471 -1.3471 -1.0819 -1.0819 -1.0435 -1.0435 -0.9878 -0.9878 5.8683 5.8683 9.9505 9.9505 10.3043 10.3043 11.1255 11.1255 12.5074 12.5074 k = 0.3450-0.2243-0.5949 ( 12562 PWs) bands (ev): -41.4402 -41.4402 -22.1369 -22.1369 -21.2908 -21.2908 -21.2489 -21.2489 -21.1786 -21.1786 -20.5791 -20.5791 -20.5247 -20.5247 -7.5764 -7.5764 -4.7026 -4.7026 -4.4645 -4.4645 -4.3439 -4.3439 -2.8514 -2.8514 -2.7068 -2.7068 -2.6266 -2.6266 -2.5879 -2.5879 -2.0963 -2.0963 -1.8773 -1.8773 -1.7516 -1.7516 -1.7217 -1.7217 -1.5963 -1.5963 -1.5619 -1.5619 -1.3481 -1.3481 -1.0876 -1.0876 -1.0490 -1.0490 -0.9842 -0.9842 5.8811 5.8811 9.9639 9.9639 10.3012 10.3012 11.1011 11.1011 12.5242 12.5242 k = 0.3532-0.2297-0.6091 ( 12556 PWs) bands (ev): -41.4402 -41.4402 -22.1354 -22.1354 -21.2889 -21.2889 -21.2497 -21.2497 -21.1818 -21.1818 -20.5825 -20.5825 -20.5213 -20.5213 -7.5717 -7.5717 -4.6977 -4.6977 -4.4591 -4.4591 -4.3503 -4.3503 -2.8547 -2.8547 -2.7327 -2.7327 -2.6113 -2.6113 -2.5825 -2.5825 -2.0788 -2.0788 -1.8828 -1.8828 -1.7615 -1.7615 -1.7237 -1.7237 -1.5927 -1.5927 -1.5650 -1.5650 -1.3492 -1.3492 -1.0933 -1.0933 -1.0546 -1.0546 -0.9802 -0.9802 5.8926 5.8926 9.9740 9.9740 10.3029 10.3029 11.0769 11.0769 12.5405 12.5405 k = 0.3614-0.2350-0.6232 ( 12554 PWs) bands (ev): -41.4402 -41.4402 -22.1341 -22.1341 -21.2870 -21.2870 -21.2502 -21.2502 -21.1850 -21.1850 -20.5859 -20.5859 -20.5178 -20.5178 -7.5674 -7.5674 -4.6931 -4.6931 -4.4551 -4.4551 -4.3555 -4.3555 -2.8595 -2.8595 -2.7581 -2.7581 -2.5940 -2.5940 -2.5745 -2.5745 -2.0623 -2.0623 -1.8883 -1.8883 -1.7740 -1.7740 -1.7280 -1.7280 -1.5900 -1.5900 -1.5638 -1.5638 -1.3504 -1.3504 -1.0990 -1.0990 -1.0604 -1.0604 -0.9759 -0.9759 5.9031 5.9031 9.9804 9.9804 10.3093 10.3093 11.0532 11.0532 12.5563 12.5563 k = 0.3696-0.2403-0.6374 ( 12550 PWs) bands (ev): -41.4402 -41.4402 -22.1330 -22.1330 -21.2852 -21.2852 -21.2503 -21.2503 -21.1881 -21.1881 -20.5894 -20.5894 -20.5143 -20.5143 -7.5635 -7.5635 -4.6888 -4.6888 -4.4530 -4.4530 -4.3590 -4.3590 -2.8656 -2.8656 -2.7825 -2.7825 -2.5765 -2.5765 -2.5629 -2.5629 -2.0469 -2.0469 -1.8934 -1.8934 -1.7875 -1.7875 -1.7351 -1.7351 -1.5916 -1.5916 -1.5557 -1.5557 -1.3516 -1.3516 -1.1045 -1.1045 -1.0662 -1.0662 -0.9715 -0.9715 5.9126 5.9126 9.9832 9.9832 10.3203 10.3203 11.0305 11.0305 12.5716 12.5716 k = 0.6304 0.0309-0.4498 ( 12550 PWs) bands (ev): -41.4402 -41.4402 -22.1330 -22.1330 -21.2852 -21.2852 -21.2502 -21.2502 -21.1881 -21.1881 -20.5893 -20.5893 -20.5144 -20.5144 -7.5635 -7.5635 -4.6888 -4.6888 -4.4530 -4.4530 -4.3590 -4.3590 -2.8656 -2.8656 -2.7825 -2.7825 -2.5765 -2.5765 -2.5629 -2.5629 -2.0469 -2.0469 -1.8933 -1.8933 -1.7875 -1.7875 -1.7351 -1.7351 -1.5917 -1.5917 -1.5557 -1.5557 -1.3516 -1.3516 -1.1045 -1.1045 -1.0661 -1.0661 -0.9715 -0.9715 5.9125 5.9125 9.9832 9.9832 10.3203 10.3203 11.0305 11.0305 12.5716 12.5716 k = 0.6222 0.0460-0.4498 ( 12566 PWs) bands (ev): -41.4402 -41.4402 -22.1322 -22.1322 -21.2837 -21.2837 -21.2499 -21.2499 -21.1912 -21.1912 -20.5926 -20.5926 -20.5110 -20.5110 -7.5598 -7.5598 -4.6850 -4.6850 -4.4530 -4.4530 -4.3605 -4.3605 -2.8726 -2.8726 -2.8056 -2.8056 -2.5622 -2.5622 -2.5452 -2.5452 -2.0328 -2.0328 -1.8979 -1.8979 -1.8016 -1.8016 -1.7444 -1.7444 -1.5962 -1.5962 -1.5431 -1.5431 -1.3528 -1.3528 -1.1100 -1.1100 -1.0719 -1.0719 -0.9670 -0.9670 5.9209 5.9209 9.9828 9.9828 10.3351 10.3351 11.0090 11.0090 12.5861 12.5861 k = 0.6141 0.0610-0.4498 ( 12568 PWs) bands (ev): -41.4402 -41.4402 -22.1316 -22.1316 -21.2824 -21.2824 -21.2491 -21.2491 -21.1942 -21.1942 -20.5959 -20.5959 -20.5076 -20.5076 -7.5565 -7.5565 -4.6816 -4.6816 -4.4551 -4.4551 -4.3598 -4.3598 -2.8805 -2.8805 -2.8273 -2.8273 -2.5500 -2.5500 -2.5229 -2.5229 -2.0200 -2.0200 -1.9019 -1.9019 -1.8164 -1.8164 -1.7554 -1.7554 -1.6020 -1.6020 -1.5285 -1.5285 -1.3538 -1.3538 -1.1154 -1.1154 -1.0776 -1.0776 -0.9624 -0.9624 5.9285 5.9285 9.9798 9.9798 10.3528 10.3528 10.9890 10.9890 12.6001 12.6001 k = 0.6059 0.0760-0.4498 ( 12562 PWs) bands (ev): -41.4402 -41.4402 -22.1311 -22.1311 -21.2816 -21.2816 -21.2479 -21.2479 -21.1970 -21.1970 -20.5991 -20.5991 -20.5043 -20.5043 -7.5535 -7.5535 -4.6787 -4.6787 -4.4588 -4.4588 -4.3574 -4.3574 -2.8890 -2.8890 -2.8476 -2.8476 -2.5380 -2.5380 -2.4983 -2.4983 -2.0088 -2.0088 -1.9052 -1.9052 -1.8317 -1.8317 -1.7675 -1.7675 -1.6083 -1.6083 -1.5131 -1.5131 -1.3546 -1.3546 -1.1207 -1.1207 -1.0832 -1.0832 -0.9579 -0.9579 5.9351 5.9351 9.9750 9.9750 10.3725 10.3725 10.9707 10.9707 12.6133 12.6133 k = 0.5978 0.0910-0.4498 ( 12548 PWs) bands (ev): -41.4402 -41.4402 -22.1308 -22.1308 -21.2811 -21.2811 -21.2462 -21.2462 -21.1996 -21.1996 -20.6023 -20.6023 -20.5011 -20.5011 -7.5507 -7.5507 -4.6762 -4.6762 -4.4635 -4.4635 -4.3537 -4.3537 -2.8980 -2.8980 -2.8661 -2.8661 -2.5260 -2.5260 -2.4723 -2.4723 -1.9991 -1.9991 -1.9077 -1.9077 -1.8475 -1.8475 -1.7803 -1.7803 -1.6148 -1.6148 -1.4976 -1.4976 -1.3552 -1.3552 -1.1259 -1.1259 -1.0886 -1.0886 -0.9534 -0.9534 5.9410 5.9410 9.9689 9.9689 10.3931 10.3931 10.9544 10.9544 12.6258 12.6258 k = 0.5896 0.1061-0.4498 ( 12540 PWs) bands (ev): -41.4402 -41.4402 -22.1306 -22.1306 -21.2809 -21.2809 -21.2443 -21.2443 -21.2021 -21.2021 -20.6052 -20.6052 -20.4981 -20.4981 -7.5483 -7.5483 -4.6742 -4.6742 -4.4687 -4.4687 -4.3490 -4.3490 -2.9078 -2.9078 -2.8825 -2.8825 -2.5138 -2.5138 -2.4452 -2.4452 -1.9913 -1.9913 -1.9094 -1.9094 -1.8637 -1.8637 -1.7935 -1.7935 -1.6214 -1.6214 -1.4822 -1.4822 -1.3556 -1.3556 -1.1310 -1.1310 -1.0940 -1.0940 -0.9491 -0.9491 5.9463 5.9463 9.9621 9.9621 10.4138 10.4138 10.9402 10.9402 12.6375 12.6375 k = 0.5815 0.1211-0.4498 ( 12536 PWs) bands (ev): -41.4402 -41.4402 -22.1305 -22.1305 -21.2809 -21.2809 -21.2423 -21.2423 -21.2043 -21.2043 -20.6081 -20.6081 -20.4953 -20.4953 -7.5461 -7.5461 -4.6728 -4.6728 -4.4741 -4.4741 -4.3440 -4.3440 -2.9187 -2.9187 -2.8962 -2.8962 -2.5018 -2.5018 -2.4173 -2.4173 -1.9854 -1.9854 -1.9105 -1.9105 -1.8800 -1.8800 -1.8067 -1.8067 -1.6278 -1.6278 -1.4674 -1.4674 -1.3558 -1.3558 -1.1359 -1.1359 -1.0991 -1.0991 -0.9450 -0.9450 5.9508 5.9508 9.9550 9.9550 10.4338 10.4338 10.9284 10.9284 12.6484 12.6484 k = 0.5733 0.1361-0.4498 ( 12536 PWs) bands (ev): -41.4402 -41.4402 -22.1304 -22.1304 -21.2811 -21.2811 -21.2402 -21.2402 -21.2062 -21.2062 -20.6107 -20.6107 -20.4926 -20.4926 -7.5442 -7.5442 -4.6718 -4.6718 -4.4792 -4.4792 -4.3387 -4.3387 -2.9305 -2.9305 -2.9071 -2.9071 -2.4900 -2.4900 -2.3887 -2.3887 -1.9817 -1.9817 -1.9123 -1.9123 -1.8950 -1.8950 -1.8197 -1.8197 -1.6341 -1.6341 -1.4533 -1.4533 -1.3558 -1.3558 -1.1406 -1.1406 -1.1039 -1.1039 -0.9412 -0.9412 5.9548 5.9548 9.9479 9.9479 10.4525 10.4525 10.9191 10.9191 12.6584 12.6584 k = 0.5652 0.1511-0.4498 ( 12546 PWs) bands (ev): -41.4402 -41.4402 -22.1305 -22.1305 -21.2813 -21.2813 -21.2382 -21.2382 -21.2079 -21.2079 -20.6132 -20.6132 -20.4902 -20.4902 -7.5425 -7.5425 -4.6712 -4.6712 -4.4839 -4.4839 -4.3336 -4.3336 -2.9425 -2.9425 -2.9158 -2.9158 -2.4787 -2.4787 -2.3598 -2.3598 -1.9806 -1.9806 -1.9199 -1.9199 -1.9033 -1.9033 -1.8320 -1.8320 -1.6400 -1.6400 -1.4402 -1.4402 -1.3555 -1.3555 -1.1451 -1.1451 -1.1085 -1.1085 -0.9376 -0.9376 5.9582 5.9582 9.9411 9.9411 10.4693 10.4693 10.9122 10.9122 12.6674 12.6674 k = 0.5570 0.1661-0.4498 ( 12544 PWs) bands (ev): -41.4402 -41.4402 -22.1305 -22.1305 -21.2817 -21.2817 -21.2364 -21.2364 -21.2093 -21.2093 -20.6154 -20.6154 -20.4880 -20.4880 -7.5410 -7.5410 -4.6710 -4.6710 -4.4881 -4.4881 -4.3287 -4.3287 -2.9540 -2.9540 -2.9229 -2.9229 -2.4680 -2.4680 -2.3307 -2.3307 -1.9833 -1.9833 -1.9323 -1.9323 -1.9048 -1.9048 -1.8433 -1.8433 -1.6455 -1.6455 -1.4281 -1.4281 -1.3550 -1.3550 -1.1494 -1.1494 -1.1127 -1.1127 -0.9344 -0.9344 5.9611 5.9611 9.9347 9.9347 10.4840 10.4840 10.9077 10.9077 12.6754 12.6754 k = 0.5489 0.1812-0.4498 ( 12540 PWs) bands (ev): -41.4402 -41.4402 -22.1306 -22.1306 -21.2820 -21.2820 -21.2348 -21.2348 -21.2103 -21.2103 -20.6174 -20.6174 -20.4860 -20.4860 -7.5398 -7.5398 -4.6710 -4.6710 -4.4918 -4.4918 -4.3242 -4.3242 -2.9643 -2.9643 -2.9289 -2.9289 -2.4582 -2.4582 -2.3014 -2.3014 -1.9918 -1.9918 -1.9418 -1.9418 -1.9054 -1.9054 -1.8530 -1.8530 -1.6505 -1.6505 -1.4173 -1.4173 -1.3544 -1.3544 -1.1534 -1.1534 -1.1165 -1.1165 -0.9316 -0.9316 5.9636 5.9636 9.9290 9.9290 10.4964 10.4964 10.9053 10.9053 12.6825 12.6825 k = 0.5407 0.1962-0.4498 ( 12532 PWs) bands (ev): -41.4402 -41.4402 -22.1307 -22.1307 -21.2824 -21.2824 -21.2336 -21.2336 -21.2110 -21.2110 -20.6191 -20.6191 -20.4844 -20.4844 -7.5387 -7.5387 -4.6713 -4.6713 -4.4947 -4.4947 -4.3203 -4.3203 -2.9734 -2.9734 -2.9338 -2.9338 -2.4495 -2.4495 -2.2724 -2.2724 -2.0067 -2.0067 -1.9463 -1.9463 -1.9070 -1.9070 -1.8606 -1.8606 -1.6549 -1.6549 -1.4079 -1.4079 -1.3536 -1.3536 -1.1569 -1.1569 -1.1199 -1.1199 -0.9292 -0.9292 5.9656 5.9656 9.9240 9.9240 10.5064 10.5064 10.9045 10.9045 12.6885 12.6885 k = 0.5326 0.2112-0.4498 ( 12534 PWs) bands (ev): -41.4402 -41.4402 -22.1308 -22.1308 -21.2827 -21.2827 -21.2327 -21.2327 -21.2114 -21.2114 -20.6205 -20.6205 -20.4830 -20.4830 -7.5379 -7.5379 -4.6716 -4.6716 -4.4971 -4.4971 -4.3169 -4.3169 -2.9809 -2.9809 -2.9379 -2.9379 -2.4420 -2.4420 -2.2436 -2.2436 -2.0261 -2.0261 -1.9472 -1.9472 -1.9103 -1.9103 -1.8657 -1.8657 -1.6586 -1.6586 -1.4001 -1.4001 -1.3527 -1.3527 -1.1600 -1.1600 -1.1227 -1.1227 -0.9272 -0.9272 5.9672 5.9672 9.9198 9.9198 10.5141 10.5141 10.9049 10.9049 12.6934 12.6934 k = 0.5244 0.2262-0.4498 ( 12538 PWs) bands (ev): -41.4402 -41.4402 -22.1309 -22.1309 -21.2830 -21.2830 -21.2320 -21.2320 -21.2116 -21.2116 -20.6216 -20.6216 -20.4819 -20.4819 -7.5373 -7.5373 -4.6720 -4.6720 -4.4990 -4.4990 -4.3142 -4.3142 -2.9868 -2.9868 -2.9410 -2.9410 -2.4360 -2.4360 -2.2154 -2.2154 -2.0478 -2.0478 -1.9460 -1.9460 -1.9150 -1.9150 -1.8686 -1.8686 -1.6615 -1.6615 -1.3940 -1.3940 -1.3518 -1.3518 -1.1626 -1.1626 -1.1250 -1.1250 -0.9256 -0.9256 5.9684 5.9684 9.9165 9.9165 10.5198 10.5198 10.9059 10.9059 12.6972 12.6972 k = 0.5163 0.2412-0.4498 ( 12546 PWs) bands (ev): -41.4402 -41.4402 -22.1310 -22.1310 -21.2832 -21.2832 -21.2316 -21.2316 -21.2117 -21.2117 -20.6224 -20.6224 -20.4811 -20.4811 -7.5368 -7.5368 -4.6723 -4.6723 -4.5002 -4.5002 -4.3123 -4.3123 -2.9911 -2.9911 -2.9432 -2.9432 -2.4316 -2.4316 -2.1884 -2.1884 -2.0706 -2.0706 -1.9437 -1.9437 -1.9203 -1.9203 -1.8700 -1.8700 -1.6637 -1.6637 -1.3897 -1.3897 -1.3510 -1.3510 -1.1645 -1.1645 -1.1266 -1.1266 -0.9244 -0.9244 5.9693 5.9693 9.9141 9.9141 10.5237 10.5237 10.9071 10.9071 12.6999 12.6999 k = 0.5081 0.2563-0.4498 ( 12548 PWs) bands (ev): -41.4402 -41.4402 -22.1311 -22.1311 -21.2833 -21.2833 -21.2314 -21.2314 -21.2117 -21.2117 -20.6229 -20.6229 -20.4806 -20.4806 -7.5365 -7.5365 -4.6725 -4.6725 -4.5010 -4.5010 -4.3111 -4.3111 -2.9937 -2.9937 -2.9446 -2.9446 -2.4289 -2.4289 -2.1644 -2.1644 -2.0922 -2.0922 -1.9408 -1.9408 -1.9252 -1.9252 -1.8705 -1.8705 -1.6650 -1.6650 -1.3871 -1.3871 -1.3504 -1.3504 -1.1656 -1.1656 -1.1276 -1.1276 -0.9238 -0.9238 5.9698 5.9698 9.9126 9.9126 10.5259 10.5259 10.9079 10.9079 12.7016 12.7016 k = 0.5000 0.2713-0.4498 ( 12550 PWs) bands (ev): -41.4402 -41.4402 -22.1311 -22.1311 -21.2833 -21.2833 -21.2314 -21.2314 -21.2117 -21.2117 -20.6231 -20.6231 -20.4805 -20.4805 -7.5365 -7.5365 -4.6726 -4.6726 -4.5012 -4.5012 -4.3107 -4.3107 -2.9946 -2.9946 -2.9450 -2.9450 -2.4280 -2.4280 -2.1519 -2.1519 -2.1039 -2.1039 -1.9392 -1.9392 -1.9275 -1.9275 -1.8707 -1.8707 -1.6654 -1.6654 -1.3863 -1.3863 -1.3502 -1.3502 -1.1660 -1.1660 -1.1280 -1.1280 -0.9235 -0.9235 5.9699 5.9699 9.9121 9.9121 10.5266 10.5266 10.9083 10.9083 12.7021 12.7021 k = 0.5000 0.2713-0.4498 ( 12550 PWs) bands (ev): -41.4402 -41.4402 -22.1311 -22.1311 -21.2833 -21.2833 -21.2314 -21.2314 -21.2117 -21.2117 -20.6231 -20.6231 -20.4805 -20.4805 -7.5365 -7.5365 -4.6726 -4.6726 -4.5012 -4.5012 -4.3107 -4.3107 -2.9946 -2.9946 -2.9450 -2.9450 -2.4280 -2.4280 -2.1519 -2.1519 -2.1039 -2.1039 -1.9392 -1.9392 -1.9275 -1.9275 -1.8707 -1.8707 -1.6654 -1.6654 -1.3863 -1.3863 -1.3502 -1.3502 -1.1660 -1.1660 -1.1280 -1.1280 -0.9235 -0.9235 5.9699 5.9699 9.9121 9.9121 10.5266 10.5266 10.9083 10.9083 12.7021 12.7021 k = 0.5093 0.2763-0.4364 ( 12558 PWs) bands (ev): -41.4402 -41.4402 -22.1311 -22.1311 -21.2833 -21.2833 -21.2313 -21.2313 -21.2118 -21.2118 -20.6229 -20.6229 -20.4806 -20.4806 -7.5365 -7.5365 -4.6724 -4.6724 -4.5012 -4.5012 -4.3109 -4.3109 -2.9941 -2.9941 -2.9442 -2.9442 -2.4286 -2.4286 -2.1516 -2.1516 -2.1072 -2.1072 -1.9374 -1.9374 -1.9268 -1.9268 -1.8706 -1.8706 -1.6650 -1.6650 -1.3863 -1.3863 -1.3512 -1.3512 -1.1659 -1.1659 -1.1278 -1.1278 -0.9237 -0.9237 5.9699 5.9699 9.9130 9.9130 10.5265 10.5265 10.9061 10.9061 12.7074 12.7074 k = 0.5186 0.2814-0.4230 ( 12554 PWs) bands (ev): -41.4402 -41.4402 -22.1312 -22.1312 -21.2832 -21.2832 -21.2313 -21.2313 -21.2119 -21.2119 -20.6223 -20.6223 -20.4811 -20.4811 -7.5366 -7.5366 -4.6718 -4.6718 -4.5010 -4.5010 -4.3116 -4.3116 -2.9927 -2.9927 -2.9417 -2.9417 -2.4304 -2.4304 -2.1510 -2.1510 -2.1164 -2.1164 -1.9347 -1.9347 -1.9224 -1.9224 -1.8702 -1.8702 -1.6638 -1.6638 -1.3865 -1.3865 -1.3540 -1.3540 -1.1653 -1.1653 -1.1273 -1.1273 -0.9244 -0.9244 5.9696 5.9696 9.9157 9.9157 10.5261 10.5261 10.8996 10.8996 12.7232 12.7232 k = 0.5279 0.2864-0.4096 ( 12550 PWs) bands (ev): -41.4402 -41.4402 -22.1313 -22.1313 -21.2831 -21.2831 -21.2312 -21.2312 -21.2121 -21.2121 -20.6214 -20.6214 -20.4819 -20.4819 -7.5369 -7.5369 -4.6708 -4.6708 -4.5007 -4.5007 -4.3127 -4.3127 -2.9904 -2.9904 -2.9374 -2.9374 -2.4335 -2.4335 -2.1507 -2.1507 -2.1295 -2.1295 -1.9346 -1.9346 -1.9123 -1.9123 -1.8694 -1.8694 -1.6618 -1.6618 -1.3872 -1.3872 -1.3583 -1.3583 -1.1645 -1.1645 -1.1264 -1.1264 -0.9255 -0.9255 5.9691 5.9691 9.9202 9.9202 10.5252 10.5252 10.8896 10.8896 12.7489 12.7489 k = 0.5373 0.2915-0.3962 ( 12554 PWs) bands (ev): -41.4402 -41.4402 -22.1314 -22.1314 -21.2829 -21.2829 -21.2313 -21.2313 -21.2123 -21.2123 -20.6201 -20.6201 -20.4830 -20.4830 -7.5372 -7.5372 -4.6696 -4.6696 -4.5001 -4.5001 -4.3142 -4.3142 -2.9873 -2.9873 -2.9315 -2.9315 -2.4378 -2.4378 -2.1556 -2.1556 -2.1403 -2.1403 -1.9364 -1.9364 -1.8990 -1.8990 -1.8679 -1.8679 -1.6591 -1.6591 -1.3892 -1.3892 -1.3633 -1.3633 -1.1633 -1.1633 -1.1253 -1.1253 -0.9270 -0.9270 5.9685 5.9685 9.9262 9.9262 10.5233 10.5233 10.8771 10.8771 12.7838 12.7838 k = 0.5466 0.2966-0.3827 ( 12538 PWs) bands (ev): -41.4402 -41.4402 -22.1316 -22.1316 -21.2827 -21.2827 -21.2315 -21.2315 -21.2124 -21.2124 -20.6184 -20.6184 -20.4843 -20.4843 -7.5376 -7.5376 -4.6682 -4.6682 -4.4992 -4.4992 -4.3161 -4.3161 -2.9834 -2.9834 -2.9238 -2.9238 -2.4431 -2.4431 -2.1722 -2.1722 -2.1412 -2.1412 -1.9394 -1.9394 -1.8844 -1.8844 -1.8651 -1.8651 -1.6558 -1.6558 -1.3935 -1.3935 -1.3675 -1.3675 -1.1619 -1.1619 -1.1240 -1.1240 -0.9289 -0.9289 5.9675 5.9675 9.9339 9.9339 10.5199 10.5199 10.8633 10.8633 12.8269 12.8269 k = 0.5559 0.3016-0.3693 ( 12545 PWs) bands (ev): -41.4402 -41.4402 -22.1319 -22.1319 -21.2825 -21.2825 -21.2319 -21.2319 -21.2122 -21.2122 -20.6165 -20.6165 -20.4860 -20.4860 -7.5382 -7.5382 -4.6670 -4.6670 -4.4978 -4.4978 -4.3183 -4.3183 -2.9787 -2.9787 -2.9145 -2.9145 -2.4495 -2.4495 -2.1933 -2.1933 -2.1391 -2.1391 -1.9433 -1.9433 -1.8712 -1.8712 -1.8591 -1.8591 -1.6521 -1.6521 -1.4014 -1.4014 -1.3698 -1.3698 -1.1601 -1.1601 -1.1225 -1.1225 -0.9313 -0.9313 5.9662 5.9662 9.9429 9.9429 10.5143 10.5143 10.8499 10.8499 12.8752 12.8752 k = 0.5652 0.3067-0.3559 ( 12535 PWs) bands (ev): -41.4402 -41.4402 -22.1323 -22.1323 -21.2823 -21.2823 -21.2326 -21.2326 -21.2116 -21.2116 -20.6142 -20.6142 -20.4879 -20.4879 -7.5389 -7.5389 -4.6660 -4.6660 -4.4957 -4.4957 -4.3208 -4.3208 -2.9733 -2.9733 -2.9034 -2.9034 -2.4569 -2.4569 -2.2160 -2.2160 -2.1363 -2.1363 -1.9478 -1.9478 -1.8632 -1.8632 -1.8465 -1.8465 -1.6481 -1.6481 -1.4124 -1.4124 -1.3704 -1.3704 -1.1581 -1.1581 -1.1208 -1.1208 -0.9340 -0.9340 5.9646 5.9646 9.9531 9.9531 10.5056 10.5056 10.8386 10.8386 12.9095 12.9095 k = 0.5745 0.3117-0.3425 ( 12531 PWs) bands (ev): -41.4402 -41.4402 -22.1327 -22.1327 -21.2821 -21.2821 -21.2336 -21.2336 -21.2106 -21.2106 -20.6117 -20.6117 -20.4901 -20.4901 -7.5398 -7.5398 -4.6654 -4.6654 -4.4930 -4.4930 -4.3235 -4.3235 -2.9674 -2.9674 -2.8906 -2.8906 -2.4651 -2.4651 -2.2398 -2.2398 -2.1334 -2.1334 -1.9527 -1.9527 -1.8575 -1.8575 -1.8307 -1.8307 -1.6438 -1.6438 -1.4258 -1.4258 -1.3700 -1.3700 -1.1559 -1.1559 -1.1190 -1.1190 -0.9371 -0.9371 5.9625 5.9625 9.9642 9.9642 10.4934 10.4934 10.8308 10.8308 12.9063 12.9063 k = 0.5838 0.3168-0.3291 ( 12538 PWs) bands (ev): -41.4402 -41.4402 -22.1333 -22.1333 -21.2821 -21.2821 -21.2348 -21.2348 -21.2092 -21.2092 -20.6089 -20.6089 -20.4925 -20.4925 -7.5408 -7.5408 -4.6654 -4.6654 -4.4895 -4.4895 -4.3264 -4.3264 -2.9608 -2.9608 -2.8762 -2.8762 -2.4742 -2.4742 -2.2643 -2.2643 -2.1307 -2.1307 -1.9576 -1.9576 -1.8518 -1.8518 -1.8142 -1.8142 -1.6395 -1.6395 -1.4408 -1.4408 -1.3691 -1.3691 -1.1535 -1.1535 -1.1171 -1.1171 -0.9405 -0.9405 5.9598 5.9598 9.9759 9.9759 10.4774 10.4774 10.8275 10.8275 12.8932 12.8932 k = 0.5931 0.3218-0.3157 ( 12538 PWs) bands (ev): -41.4402 -41.4402 -22.1339 -22.1339 -21.2821 -21.2821 -21.2362 -21.2362 -21.2074 -21.2074 -20.6058 -20.6058 -20.4951 -20.4951 -7.5420 -7.5420 -4.6662 -4.6662 -4.4852 -4.4852 -4.3292 -4.3292 -2.9539 -2.9539 -2.8601 -2.8601 -2.4839 -2.4839 -2.2891 -2.2891 -2.1288 -2.1288 -1.9619 -1.9619 -1.8456 -1.8456 -1.7978 -1.7978 -1.6352 -1.6352 -1.4571 -1.4571 -1.3678 -1.3678 -1.1509 -1.1509 -1.1150 -1.1150 -0.9442 -0.9442 5.9565 5.9565 9.9878 9.9878 10.4581 10.4581 10.8293 10.8293 12.8766 12.8766 k = 0.6025 0.3269-0.3023 ( 12538 PWs) bands (ev): -41.4402 -41.4402 -22.1347 -22.1347 -21.2822 -21.2822 -21.2375 -21.2375 -21.2053 -21.2053 -20.6026 -20.6026 -20.4979 -20.4979 -7.5435 -7.5435 -4.6678 -4.6678 -4.4802 -4.4802 -4.3320 -4.3320 -2.9465 -2.9465 -2.8425 -2.8425 -2.4943 -2.4943 -2.3140 -2.3140 -2.1280 -2.1280 -1.9652 -1.9652 -1.8389 -1.8389 -1.7816 -1.7816 -1.6313 -1.6313 -1.4742 -1.4742 -1.3665 -1.3665 -1.1482 -1.1482 -1.1128 -1.1128 -0.9482 -0.9482 5.9525 5.9525 9.9994 9.9994 10.4364 10.4364 10.8361 10.8361 12.8574 12.8574 k = 0.6118 0.3319-0.2889 ( 12538 PWs) bands (ev): -41.4402 -41.4402 -22.1357 -22.1357 -21.2826 -21.2826 -21.2388 -21.2388 -21.2029 -21.2029 -20.5993 -20.5993 -20.5008 -20.5008 -7.5452 -7.5452 -4.6702 -4.6702 -4.4747 -4.4747 -4.3344 -4.3344 -2.9388 -2.9388 -2.8233 -2.8233 -2.5053 -2.5053 -2.3388 -2.3388 -2.1289 -2.1289 -1.9669 -1.9669 -1.8318 -1.8318 -1.7658 -1.7658 -1.6278 -1.6278 -1.4918 -1.4918 -1.3651 -1.3651 -1.1453 -1.1453 -1.1104 -1.1104 -0.9524 -0.9524 5.9476 5.9476 10.0100 10.0100 10.4136 10.4136 10.8476 10.8476 12.8358 12.8358 k = 0.6211 0.3370-0.2755 ( 12533 PWs) bands (ev): -41.4402 -41.4402 -22.1368 -22.1368 -21.2831 -21.2831 -21.2399 -21.2399 -21.2002 -21.2002 -20.5958 -20.5958 -20.5039 -20.5039 -7.5472 -7.5472 -4.6735 -4.6735 -4.4690 -4.4690 -4.3363 -4.3363 -2.9309 -2.9309 -2.8026 -2.8026 -2.5168 -2.5168 -2.3631 -2.3631 -2.1316 -2.1316 -1.9666 -1.9666 -1.8243 -1.8243 -1.7506 -1.7506 -1.6253 -1.6253 -1.5092 -1.5092 -1.3637 -1.3637 -1.1423 -1.1423 -1.1078 -1.1078 -0.9567 -0.9567 5.9419 5.9419 10.0189 10.0189 10.3912 10.3912 10.8632 10.8632 12.8119 12.8119 k = 0.6304 0.3420-0.2621 ( 12544 PWs) bands (ev): -41.4402 -41.4402 -22.1381 -22.1381 -21.2839 -21.2839 -21.2408 -21.2408 -21.1974 -21.1974 -20.5922 -20.5922 -20.5070 -20.5070 -7.5494 -7.5494 -4.6775 -4.6775 -4.4635 -4.4635 -4.3374 -4.3374 -2.9228 -2.9228 -2.7806 -2.7806 -2.5287 -2.5287 -2.3868 -2.3868 -2.1366 -2.1366 -1.9642 -1.9642 -1.8165 -1.8165 -1.7362 -1.7362 -1.6241 -1.6241 -1.5257 -1.5257 -1.3623 -1.3623 -1.1393 -1.1393 -1.1049 -1.1049 -0.9611 -0.9611 5.9351 5.9351 10.0251 10.0251 10.3709 10.3709 10.8825 10.8825 12.7856 12.7856 k = 0.6304 0.3420-0.2621 ( 12544 PWs) bands (ev): -41.4402 -41.4402 -22.1381 -22.1381 -21.2839 -21.2839 -21.2408 -21.2408 -21.1974 -21.1974 -20.5922 -20.5922 -20.5070 -20.5070 -7.5494 -7.5494 -4.6775 -4.6775 -4.4635 -4.4635 -4.3374 -4.3374 -2.9228 -2.9228 -2.7806 -2.7806 -2.5287 -2.5287 -2.3868 -2.3868 -2.1366 -2.1366 -1.9642 -1.9642 -1.8165 -1.8165 -1.7362 -1.7362 -1.6241 -1.6241 -1.5257 -1.5257 -1.3623 -1.3623 -1.1393 -1.1393 -1.1049 -1.1049 -0.9611 -0.9611 5.9351 5.9351 10.0251 10.0251 10.3709 10.3709 10.8825 10.8825 12.7856 12.7856 k = 0.6257 0.3395-0.2461 ( 12536 PWs) bands (ev): -41.4402 -41.4402 -22.1394 -22.1394 -21.2821 -21.2821 -21.2432 -21.2432 -21.1959 -21.1959 -20.5899 -20.5899 -20.5087 -20.5087 -7.5493 -7.5493 -4.6755 -4.6755 -4.4632 -4.4632 -4.3376 -4.3376 -2.9173 -2.9173 -2.7666 -2.7666 -2.5344 -2.5344 -2.4046 -2.4046 -2.1407 -2.1407 -1.9519 -1.9519 -1.8131 -1.8131 -1.7323 -1.7323 -1.6319 -1.6319 -1.5342 -1.5342 -1.3634 -1.3634 -1.1383 -1.1383 -1.1026 -1.1026 -0.9659 -0.9659 5.9318 5.9318 10.0209 10.0209 10.3628 10.3628 10.9022 10.9022 12.7749 12.7749 k = 0.6211 0.3370-0.2300 ( 12541 PWs) bands (ev): -41.4402 -41.4402 -22.1410 -22.1410 -21.2808 -21.2808 -21.2450 -21.2450 -21.1941 -21.1941 -20.5876 -20.5876 -20.5103 -20.5103 -7.5496 -7.5496 -4.6738 -4.6738 -4.4632 -4.4632 -4.3378 -4.3378 -2.9117 -2.9117 -2.7520 -2.7520 -2.5380 -2.5380 -2.4230 -2.4230 -2.1453 -2.1453 -1.9416 -1.9416 -1.8089 -1.8089 -1.7276 -1.7276 -1.6398 -1.6398 -1.5426 -1.5426 -1.3645 -1.3645 -1.1372 -1.1372 -1.0997 -1.0997 -0.9709 -0.9709 5.9267 5.9267 10.0079 10.0079 10.3637 10.3637 10.9246 10.9246 12.7619 12.7619 k = 0.6164 0.3345-0.2139 ( 12534 PWs) bands (ev): -41.4402 -41.4402 -22.1429 -22.1429 -21.2802 -21.2802 -21.2457 -21.2457 -21.1923 -21.1923 -20.5851 -20.5851 -20.5120 -20.5120 -7.5504 -7.5504 -4.6726 -4.6726 -4.4633 -4.4633 -4.3380 -4.3380 -2.9061 -2.9061 -2.7371 -2.7371 -2.5396 -2.5396 -2.4417 -2.4417 -2.1499 -2.1499 -1.9342 -1.9342 -1.8035 -1.8035 -1.7224 -1.7224 -1.6475 -1.6475 -1.5507 -1.5507 -1.3656 -1.3656 -1.1361 -1.1361 -1.0964 -1.0964 -0.9758 -0.9758 5.9198 5.9198 9.9865 9.9865 10.3737 10.3737 10.9493 10.9493 12.7465 12.7465 k = 0.6118 0.3319-0.1979 ( 12528 PWs) bands (ev): -41.4402 -41.4402 -22.1452 -22.1452 -21.2807 -21.2807 -21.2452 -21.2452 -21.1902 -21.1902 -20.5826 -20.5826 -20.5138 -20.5138 -7.5517 -7.5517 -4.6718 -4.6718 -4.4635 -4.4635 -4.3382 -4.3382 -2.9004 -2.9004 -2.7221 -2.7221 -2.5392 -2.5392 -2.4607 -2.4607 -2.1543 -2.1543 -1.9302 -1.9302 -1.7969 -1.7969 -1.7165 -1.7165 -1.6550 -1.6550 -1.5586 -1.5586 -1.3664 -1.3664 -1.1352 -1.1352 -1.0926 -1.0926 -0.9807 -0.9807 5.9112 5.9112 9.9581 9.9581 10.3916 10.3916 10.9763 10.9763 12.7284 12.7284 k = 0.6071 0.3294-0.1818 ( 12534 PWs) bands (ev): -41.4402 -41.4402 -22.1477 -22.1477 -21.2823 -21.2823 -21.2433 -21.2433 -21.1881 -21.1881 -20.5801 -20.5801 -20.5156 -20.5156 -7.5534 -7.5534 -4.6716 -4.6716 -4.4635 -4.4635 -4.3383 -4.3383 -2.8947 -2.8947 -2.7073 -2.7073 -2.5368 -2.5368 -2.4797 -2.4797 -2.1581 -2.1581 -1.9296 -1.9296 -1.7898 -1.7898 -1.7102 -1.7102 -1.6617 -1.6617 -1.5662 -1.5662 -1.3670 -1.3670 -1.1345 -1.1345 -1.0885 -1.0885 -0.9854 -0.9854 5.9011 5.9011 9.9245 9.9245 10.4159 10.4159 11.0050 11.0050 12.7074 12.7074 k = 0.6025 0.3269-0.1657 ( 12539 PWs) bands (ev): -41.4402 -41.4402 -22.1504 -22.1504 -21.2848 -21.2848 -21.2403 -21.2403 -21.1859 -21.1859 -20.5775 -20.5775 -20.5174 -20.5174 -7.5555 -7.5555 -4.6719 -4.6719 -4.4634 -4.4634 -4.3385 -4.3385 -2.8891 -2.8891 -2.6929 -2.6929 -2.5330 -2.5330 -2.4982 -2.4982 -2.1613 -2.1613 -1.9319 -1.9319 -1.7832 -1.7832 -1.7040 -1.7040 -1.6670 -1.6670 -1.5731 -1.5731 -1.3673 -1.3673 -1.1344 -1.1344 -1.0840 -1.0840 -0.9898 -0.9898 5.8897 5.8897 9.8874 9.8874 10.4452 10.4452 11.0353 11.0353 12.6834 12.6834 k = 0.5978 0.3243-0.1497 ( 12552 PWs) bands (ev): -41.4402 -41.4402 -22.1534 -22.1534 -21.2880 -21.2880 -21.2365 -21.2365 -21.1835 -21.1835 -20.5750 -20.5750 -20.5192 -20.5192 -7.5579 -7.5579 -4.6729 -4.6729 -4.4629 -4.4629 -4.3386 -4.3386 -2.8835 -2.8835 -2.6791 -2.6791 -2.5309 -2.5309 -2.5128 -2.5128 -2.1638 -2.1638 -1.9365 -1.9365 -1.7779 -1.7779 -1.6999 -1.6999 -1.6690 -1.6690 -1.5790 -1.5790 -1.3671 -1.3671 -1.1347 -1.1347 -1.0793 -1.0793 -0.9939 -0.9939 5.8770 5.8770 9.8481 9.8481 10.4782 10.4782 11.0670 11.0670 12.6563 12.6563 k = 0.5931 0.3218-0.1336 ( 12537 PWs) bands (ev): -41.4402 -41.4402 -22.1564 -22.1564 -21.2916 -21.2916 -21.2322 -21.2322 -21.1811 -21.1811 -20.5725 -20.5725 -20.5210 -20.5210 -7.5606 -7.5606 -4.6744 -4.6744 -4.4621 -4.4621 -4.3388 -4.3388 -2.8779 -2.8779 -2.6662 -2.6662 -2.5423 -2.5423 -2.5117 -2.5117 -2.1656 -2.1656 -1.9430 -1.9430 -1.7745 -1.7745 -1.7001 -1.7001 -1.6662 -1.6662 -1.5830 -1.5830 -1.3666 -1.3666 -1.1357 -1.1357 -1.0743 -1.0743 -0.9974 -0.9974 5.8634 5.8634 9.8075 9.8075 10.5143 10.5143 11.0997 11.0997 12.6260 12.6260 k = 0.5885 0.3193-0.1176 ( 12541 PWs) bands (ev): -41.4402 -41.4402 -22.1596 -22.1596 -21.2954 -21.2954 -21.2274 -21.2274 -21.1787 -21.1787 -20.5700 -20.5700 -20.5228 -20.5228 -7.5636 -7.5636 -4.6765 -4.6765 -4.4609 -4.4609 -4.3389 -4.3389 -2.8723 -2.8723 -2.6544 -2.6544 -2.5599 -2.5599 -2.5024 -2.5024 -2.1666 -2.1666 -1.9508 -1.9508 -1.7729 -1.7729 -1.7039 -1.7039 -1.6613 -1.6613 -1.5837 -1.5837 -1.3656 -1.3656 -1.1376 -1.1376 -1.0693 -1.0693 -1.0003 -1.0003 5.8489 5.8489 9.7666 9.7666 10.5528 10.5528 11.1332 11.1332 12.5926 12.5926 k = 0.5838 0.3168-0.1015 ( 12532 PWs) bands (ev): -41.4402 -41.4402 -22.1629 -22.1629 -21.2993 -21.2993 -21.2225 -21.2225 -21.1762 -21.1762 -20.5676 -20.5676 -20.5246 -20.5246 -7.5668 -7.5668 -4.6790 -4.6790 -4.4593 -4.4593 -4.3390 -4.3390 -2.8667 -2.8667 -2.6441 -2.6441 -2.5775 -2.5775 -2.4904 -2.4904 -2.1668 -2.1668 -1.9597 -1.9597 -1.7728 -1.7728 -1.7093 -1.7093 -1.6584 -1.6584 -1.5795 -1.5795 -1.3641 -1.3641 -1.1402 -1.1402 -1.0641 -1.0641 -1.0025 -1.0025 5.8337 5.8337 9.7256 9.7256 10.5934 10.5934 11.1672 11.1672 12.5564 12.5564 k = 0.5792 0.3142-0.0854 ( 12522 PWs) bands (ev): -41.4402 -41.4402 -22.1662 -22.1662 -21.3032 -21.3032 -21.2174 -21.2174 -21.1736 -21.1736 -20.5652 -20.5652 -20.5263 -20.5263 -7.5701 -7.5701 -4.6820 -4.6820 -4.4574 -4.4574 -4.3391 -4.3391 -2.8610 -2.8610 -2.6363 -2.6363 -2.5936 -2.5936 -2.4768 -2.4768 -2.1663 -2.1663 -1.9695 -1.9695 -1.7740 -1.7740 -1.7153 -1.7153 -1.6592 -1.6592 -1.5700 -1.5700 -1.3622 -1.3622 -1.1437 -1.1437 -1.0590 -1.0590 -1.0041 -1.0041 5.8180 5.8180 9.6853 9.6853 10.6356 10.6356 11.2016 11.2016 12.5175 12.5175 k = 0.5745 0.3117-0.0694 ( 12518 PWs) bands (ev): -41.4402 -41.4402 -22.1695 -22.1695 -21.3071 -21.3071 -21.2123 -21.2123 -21.1710 -21.1710 -20.5630 -20.5630 -20.5281 -20.5281 -7.5735 -7.5735 -4.6853 -4.6853 -4.4552 -4.4552 -4.3392 -4.3392 -2.8553 -2.8553 -2.6346 -2.6346 -2.6041 -2.6041 -2.4619 -2.4619 -2.1650 -2.1650 -1.9799 -1.9799 -1.7762 -1.7762 -1.7216 -1.7216 -1.6634 -1.6634 -1.5564 -1.5564 -1.3599 -1.3599 -1.1480 -1.1480 -1.0540 -1.0540 -1.0050 -1.0050 5.8020 5.8020 9.6457 9.6457 10.6792 10.6792 11.2359 11.2359 12.4761 12.4761 k = 0.5699 0.3092-0.0533 ( 12521 PWs) bands (ev): -41.4402 -41.4402 -22.1728 -22.1728 -21.3110 -21.3110 -21.2073 -21.2073 -21.1684 -21.1684 -20.5608 -20.5608 -20.5298 -20.5298 -7.5770 -7.5770 -4.6889 -4.6889 -4.4529 -4.4529 -4.3392 -4.3392 -2.8495 -2.8495 -2.6435 -2.6435 -2.6044 -2.6044 -2.4461 -2.4461 -2.1631 -2.1631 -1.9907 -1.9907 -1.7791 -1.7791 -1.7281 -1.7281 -1.6697 -1.6697 -1.5402 -1.5402 -1.3573 -1.3573 -1.1531 -1.1531 -1.0491 -1.0491 -1.0052 -1.0052 5.7859 5.7859 9.6074 9.6074 10.7239 10.7239 11.2701 11.2701 12.4326 12.4326 k = 0.5652 0.3067-0.0372 ( 12505 PWs) bands (ev): -41.4402 -41.4402 -22.1761 -22.1761 -21.3147 -21.3147 -21.2024 -21.2024 -21.1658 -21.1658 -20.5587 -20.5587 -20.5314 -20.5314 -7.5805 -7.5805 -4.6926 -4.6926 -4.4505 -4.4505 -4.3391 -4.3391 -2.8437 -2.8437 -2.6577 -2.6577 -2.5996 -2.5996 -2.4296 -2.4296 -2.1606 -2.1606 -2.0019 -2.0019 -1.7825 -1.7825 -1.7349 -1.7349 -1.6770 -1.6770 -1.5227 -1.5227 -1.3543 -1.3543 -1.1589 -1.1589 -1.0444 -1.0444 -1.0048 -1.0048 5.7698 5.7698 9.5706 9.5706 10.7695 10.7695 11.3039 11.3039 12.3873 12.3873 k = 0.5605 0.3041-0.0212 ( 12519 PWs) bands (ev): -41.4402 -41.4402 -22.1792 -22.1792 -21.3183 -21.3183 -21.1977 -21.1977 -21.1632 -21.1632 -20.5568 -20.5568 -20.5330 -20.5330 -7.5840 -7.5840 -4.6964 -4.6964 -4.4482 -4.4482 -4.3389 -4.3389 -2.8379 -2.8379 -2.6730 -2.6730 -2.5938 -2.5938 -2.4127 -2.4127 -2.1575 -2.1575 -2.0132 -2.0132 -1.7862 -1.7862 -1.7420 -1.7420 -1.6847 -1.6847 -1.5045 -1.5045 -1.3511 -1.3511 -1.1653 -1.1653 -1.0400 -1.0400 -1.0040 -1.0040 5.7540 5.7540 9.5354 9.5354 10.8158 10.8158 11.3371 11.3371 12.3404 12.3404 k = 0.5559 0.3016-0.0051 ( 12528 PWs) bands (ev): -41.4402 -41.4402 -22.1823 -22.1823 -21.3217 -21.3217 -21.1932 -21.1932 -21.1606 -21.1606 -20.5550 -20.5550 -20.5345 -20.5345 -7.5874 -7.5874 -4.7001 -4.7001 -4.4459 -4.4459 -4.3386 -4.3386 -2.8321 -2.8321 -2.6880 -2.6880 -2.5882 -2.5882 -2.3957 -2.3957 -2.1539 -2.1539 -2.0246 -2.0246 -1.7903 -1.7903 -1.7495 -1.7495 -1.6924 -1.6924 -1.4862 -1.4862 -1.3477 -1.3477 -1.1723 -1.1723 -1.0359 -1.0359 -1.0027 -1.0027 5.7385 5.7385 9.5020 9.5020 10.8626 10.8626 11.3694 11.3694 12.2923 12.2923 k = 0.5512 0.2991 0.0109 ( 12537 PWs) bands (ev): -41.4402 -41.4402 -22.1851 -22.1851 -21.3249 -21.3249 -21.1891 -21.1891 -21.1581 -21.1581 -20.5533 -20.5533 -20.5359 -20.5359 -7.5907 -7.5907 -4.7038 -4.7038 -4.4437 -4.4437 -4.3381 -4.3381 -2.8264 -2.8264 -2.7023 -2.7023 -2.5830 -2.5830 -2.3786 -2.3786 -2.1499 -2.1499 -2.0359 -2.0359 -1.7945 -1.7945 -1.7574 -1.7574 -1.6996 -1.6996 -1.4680 -1.4680 -1.3442 -1.3442 -1.1798 -1.1798 -1.0321 -1.0321 -1.0011 -1.0011 5.7237 5.7237 9.4707 9.4707 10.9095 10.9095 11.4006 11.4006 12.2433 12.2433 k = 0.5466 0.2966 0.0270 ( 12537 PWs) bands (ev): -41.4402 -41.4402 -22.1879 -22.1879 -21.3278 -21.3278 -21.1853 -21.1853 -21.1556 -21.1556 -20.5517 -20.5517 -20.5373 -20.5373 -7.5939 -7.5939 -4.7074 -4.7074 -4.4417 -4.4417 -4.3375 -4.3375 -2.8208 -2.8208 -2.7157 -2.7157 -2.5784 -2.5784 -2.3618 -2.3618 -2.1457 -2.1457 -2.0469 -2.0469 -1.7989 -1.7989 -1.7657 -1.7657 -1.7061 -1.7061 -1.4502 -1.4502 -1.3406 -1.3406 -1.1877 -1.1877 -1.0286 -1.0286 -0.9993 -0.9993 5.7095 5.7095 9.4417 9.4417 10.9564 10.9564 11.4308 11.4308 12.1936 12.1936 k = 0.5419 0.2940 0.0431 ( 12523 PWs) bands (ev): -41.4402 -41.4402 -22.1904 -22.1904 -21.3306 -21.3306 -21.1818 -21.1818 -21.1532 -21.1532 -20.5503 -20.5503 -20.5385 -20.5385 -7.5969 -7.5969 -4.7107 -4.7107 -4.4400 -4.4400 -4.3368 -4.3368 -2.8155 -2.8155 -2.7281 -2.7281 -2.5743 -2.5743 -2.3454 -2.3454 -2.1412 -2.1412 -2.0576 -2.0576 -1.8033 -1.8033 -1.7743 -1.7743 -1.7119 -1.7119 -1.4328 -1.4328 -1.3371 -1.3371 -1.1960 -1.1960 -1.0255 -1.0255 -0.9973 -0.9973 5.6962 5.6962 9.4149 9.4149 11.0028 11.0028 11.4597 11.4597 12.1435 12.1435 k = 0.5373 0.2915 0.0591 ( 12532 PWs) bands (ev): -41.4402 -41.4402 -22.1927 -22.1927 -21.3331 -21.3331 -21.1787 -21.1787 -21.1509 -21.1509 -20.5490 -20.5490 -20.5396 -20.5396 -7.5996 -7.5996 -4.7138 -4.7138 -4.4385 -4.4385 -4.3360 -4.3360 -2.8105 -2.8105 -2.7393 -2.7393 -2.5708 -2.5708 -2.3296 -2.3296 -2.1367 -2.1367 -2.0678 -2.0678 -1.8076 -1.8076 -1.7832 -1.7832 -1.7168 -1.7168 -1.4160 -1.4160 -1.3337 -1.3337 -1.2045 -1.2045 -1.0228 -1.0228 -0.9953 -0.9953 5.6839 5.6839 9.3907 9.3907 11.0484 11.0484 11.4873 11.4873 12.0934 12.0934 k = 0.5326 0.2890 0.0752 ( 12548 PWs) bands (ev): -41.4402 -41.4402 -22.1948 -22.1948 -21.3353 -21.3353 -21.1760 -21.1760 -21.1487 -21.1487 -20.5478 -20.5478 -20.5407 -20.5407 -7.6021 -7.6021 -4.7167 -4.7167 -4.4372 -4.4372 -4.3351 -4.3351 -2.8060 -2.8060 -2.7492 -2.7492 -2.5678 -2.5678 -2.3147 -2.3147 -2.1323 -2.1323 -2.0773 -2.0773 -1.8119 -1.8119 -1.7919 -1.7919 -1.7209 -1.7209 -1.4000 -1.4000 -1.3303 -1.3303 -1.2133 -1.2133 -1.0204 -1.0204 -0.9933 -0.9933 5.6728 5.6728 9.3690 9.3690 11.0925 11.0925 11.5138 11.5138 12.0435 12.0435 k = 0.5279 0.2864 0.0913 ( 12548 PWs) bands (ev): -41.4402 -41.4402 -22.1966 -22.1966 -21.3372 -21.3372 -21.1737 -21.1737 -21.1468 -21.1468 -20.5469 -20.5469 -20.5416 -20.5416 -7.6043 -7.6043 -4.7192 -4.7192 -4.4362 -4.4362 -4.3343 -4.3343 -2.8021 -2.8021 -2.7577 -2.7577 -2.5652 -2.5652 -2.3009 -2.3009 -2.1282 -2.1282 -2.0860 -2.0860 -1.8159 -1.8159 -1.8004 -1.8004 -1.7243 -1.7243 -1.3849 -1.3849 -1.3271 -1.3271 -1.2222 -1.2222 -1.0184 -1.0184 -0.9914 -0.9914 5.6629 5.6629 9.3500 9.3500 11.1346 11.1346 11.5392 11.5392 11.9944 11.9944 k = 0.5233 0.2839 0.1073 ( 12544 PWs) bands (ev): -41.4402 -41.4402 -22.1982 -22.1982 -21.3389 -21.3389 -21.1717 -21.1717 -21.1450 -21.1450 -20.5460 -20.5460 -20.5423 -20.5423 -7.6063 -7.6063 -4.7213 -4.7213 -4.4354 -4.4354 -4.3335 -4.3335 -2.7990 -2.7990 -2.7646 -2.7646 -2.5631 -2.5631 -2.2884 -2.2884 -2.1244 -2.1244 -2.0937 -2.0937 -1.8195 -1.8195 -1.8082 -1.8082 -1.7270 -1.7270 -1.3709 -1.3709 -1.3240 -1.3240 -1.2313 -1.2313 -1.0166 -1.0166 -0.9898 -0.9898 5.6543 5.6543 9.3338 9.3338 11.1737 11.1737 11.5639 11.5639 11.9463 11.9463 k = 0.5186 0.2814 0.1234 ( 12535 PWs) bands (ev): -41.4402 -41.4402 -22.1995 -22.1995 -21.3403 -21.3403 -21.1702 -21.1702 -21.1436 -21.1436 -20.5453 -20.5453 -20.5430 -20.5430 -7.6079 -7.6079 -4.7231 -4.7231 -4.4347 -4.4347 -4.3327 -4.3327 -2.7969 -2.7969 -2.7697 -2.7697 -2.5615 -2.5615 -2.2776 -2.2776 -2.1212 -2.1212 -2.1002 -2.1002 -1.8228 -1.8228 -1.8150 -1.8150 -1.7291 -1.7291 -1.3582 -1.3582 -1.3208 -1.3208 -1.2404 -1.2404 -1.0153 -1.0153 -0.9883 -0.9883 5.6472 5.6472 9.3205 9.3205 11.2087 11.2087 11.5883 11.5883 11.9001 11.9001 k = 0.5140 0.2789 0.1394 ( 12528 PWs) bands (ev): -41.4402 -41.4402 -22.2005 -22.2005 -21.3413 -21.3413 -21.1690 -21.1690 -21.1424 -21.1424 -20.5448 -20.5448 -20.5435 -20.5435 -7.6091 -7.6091 -4.7246 -4.7246 -4.4343 -4.4343 -4.3321 -4.3321 -2.7959 -2.7959 -2.7730 -2.7730 -2.5602 -2.5602 -2.2687 -2.2687 -2.1189 -2.1189 -2.1053 -2.1053 -1.8255 -1.8255 -1.8206 -1.8206 -1.7306 -1.7306 -1.3476 -1.3476 -1.3174 -1.3174 -1.2492 -1.2492 -1.0142 -1.0142 -0.9871 -0.9871 5.6416 5.6416 9.3100 9.3100 11.2382 11.2382 11.6126 11.6126 11.8565 11.8565 k = 0.5093 0.2763 0.1555 ( 12514 PWs) bands (ev): -41.4402 -41.4402 -22.2013 -22.2013 -21.3421 -21.3421 -21.1681 -21.1681 -21.1415 -21.1415 -20.5444 -20.5444 -20.5438 -20.5438 -7.6100 -7.6100 -4.7256 -4.7256 -4.4340 -4.4340 -4.3316 -4.3316 -2.7958 -2.7958 -2.7748 -2.7748 -2.5593 -2.5593 -2.2620 -2.2620 -2.1178 -2.1178 -2.1085 -2.1085 -1.8277 -1.8277 -1.8246 -1.8246 -1.7317 -1.7317 -1.3397 -1.3397 -1.3133 -1.3133 -1.2573 -1.2573 -1.0134 -1.0134 -0.9863 -0.9863 5.6375 5.6375 9.3025 9.3025 11.2608 11.2608 11.6365 11.6365 11.8174 11.8174 k = 0.5047 0.2738 0.1716 ( 12512 PWs) bands (ev): -41.4402 -41.4402 -22.2017 -22.2017 -21.3426 -21.3426 -21.1676 -21.1676 -21.1410 -21.1410 -20.5442 -20.5442 -20.5440 -20.5440 -7.6106 -7.6106 -4.7262 -4.7262 -4.4338 -4.4338 -4.3313 -4.3313 -2.7960 -2.7960 -2.7755 -2.7755 -2.5588 -2.5588 -2.2579 -2.2579 -2.1178 -2.1178 -2.1097 -2.1097 -1.8294 -1.8294 -1.8269 -1.8269 -1.7324 -1.7324 -1.3351 -1.3351 -1.3093 -1.3093 -1.2636 -1.2636 -1.0130 -1.0130 -0.9858 -0.9858 5.6351 5.6351 9.2980 9.2980 11.2750 11.2750 11.6575 11.6575 11.7866 11.7866 k = 0.5000 0.2713 0.1876 ( 12514 PWs) bands (ev): -41.4402 -41.4402 -22.2019 -22.2019 -21.3427 -21.3427 -21.1674 -21.1674 -21.1408 -21.1408 -20.5442 -20.5442 -20.5440 -20.5440 -7.6108 -7.6108 -4.7264 -4.7264 -4.4337 -4.4337 -4.3312 -4.3312 -2.7962 -2.7962 -2.7757 -2.7757 -2.5586 -2.5586 -2.2565 -2.2565 -2.1180 -2.1180 -2.1100 -2.1100 -1.8300 -1.8300 -1.8275 -1.8275 -1.7326 -1.7326 -1.3337 -1.3337 -1.3075 -1.3075 -1.2661 -1.2661 -1.0128 -1.0128 -0.9856 -0.9856 5.6343 5.6343 9.2965 9.2965 11.2799 11.2799 11.6672 11.6672 11.7736 11.7736 k = 0.5000-0.3251-0.2249 ( 12574 PWs) bands (ev): -41.4402 -41.4402 -22.1752 -22.1752 -21.3500 -21.3500 -21.1780 -21.1780 -21.1367 -21.1367 -20.5689 -20.5689 -20.5374 -20.5374 -7.6648 -7.6648 -4.9056 -4.9056 -4.4332 -4.4332 -4.2036 -4.2036 -2.9963 -2.9963 -2.5899 -2.5899 -2.4699 -2.4699 -2.2979 -2.2979 -2.2341 -2.2341 -2.0642 -2.0642 -1.9710 -1.9710 -1.8092 -1.8092 -1.4979 -1.4979 -1.3386 -1.3386 -1.2844 -1.2844 -1.0690 -1.0690 -1.0247 -1.0247 -0.9535 -0.9535 5.6498 5.6498 9.5977 9.5977 10.9489 10.9489 11.4936 11.4936 11.5539 11.5539 k = 0.5104-0.3143-0.2174 ( 12565 PWs) bands (ev): -41.4402 -41.4402 -22.1751 -22.1751 -21.3499 -21.3499 -21.1781 -21.1781 -21.1369 -21.1369 -20.5689 -20.5689 -20.5374 -20.5374 -7.6644 -7.6644 -4.9051 -4.9051 -4.4332 -4.4332 -4.2041 -4.2041 -2.9959 -2.9959 -2.5902 -2.5902 -2.4699 -2.4699 -2.3008 -2.3008 -2.2320 -2.2320 -2.0650 -2.0650 -1.9690 -1.9690 -1.8089 -1.8089 -1.4980 -1.4980 -1.3394 -1.3394 -1.2847 -1.2847 -1.0692 -1.0692 -1.0250 -1.0250 -0.9536 -0.9536 5.6506 5.6506 9.5989 9.5989 10.9470 10.9470 11.4646 11.4646 11.5847 11.5847 k = 0.5209-0.3034-0.2099 ( 12571 PWs) bands (ev): -41.4402 -41.4402 -22.1748 -22.1748 -21.3494 -21.3494 -21.1785 -21.1785 -21.1375 -21.1375 -20.5688 -20.5688 -20.5374 -20.5374 -7.6635 -7.6635 -4.9033 -4.9033 -4.4330 -4.4330 -4.2057 -4.2057 -2.9947 -2.9947 -2.5910 -2.5910 -2.4700 -2.4700 -2.3087 -2.3087 -2.2269 -2.2269 -2.0672 -2.0672 -1.9634 -1.9634 -1.8080 -1.8080 -1.4986 -1.4986 -1.3417 -1.3417 -1.2856 -1.2856 -1.0695 -1.0695 -1.0257 -1.0257 -0.9539 -0.9539 5.6531 5.6531 9.6025 9.6025 10.9411 10.9411 11.4195 11.4195 11.6352 11.6352 k = 0.5313-0.2926-0.2024 ( 12567 PWs) bands (ev): -41.4402 -41.4402 -22.1742 -22.1742 -21.3487 -21.3487 -21.1791 -21.1791 -21.1386 -21.1386 -20.5687 -20.5687 -20.5373 -20.5373 -7.6618 -7.6618 -4.9005 -4.9005 -4.4327 -4.4327 -4.2082 -4.2082 -2.9927 -2.9927 -2.5925 -2.5925 -2.4700 -2.4700 -2.3199 -2.3199 -2.2201 -2.2201 -2.0702 -2.0702 -1.9548 -1.9548 -1.8064 -1.8064 -1.4995 -1.4995 -1.3456 -1.3456 -1.2870 -1.2870 -1.0702 -1.0702 -1.0269 -1.0269 -0.9544 -0.9544 5.6573 5.6573 9.6085 9.6085 10.9313 10.9313 11.3742 11.3742 11.6895 11.6895 k = 0.5417-0.2817-0.1949 ( 12567 PWs) bands (ev): -41.4402 -41.4402 -22.1734 -22.1734 -21.3477 -21.3477 -21.1800 -21.1800 -21.1400 -21.1400 -20.5686 -20.5686 -20.5372 -20.5372 -7.6596 -7.6596 -4.8965 -4.8965 -4.4322 -4.4322 -4.2118 -4.2118 -2.9900 -2.9900 -2.5945 -2.5945 -2.4701 -2.4701 -2.3332 -2.3332 -2.2127 -2.2127 -2.0736 -2.0736 -1.9438 -1.9438 -1.8043 -1.8043 -1.5008 -1.5008 -1.3510 -1.3510 -1.2890 -1.2890 -1.0711 -1.0711 -1.0286 -1.0286 -0.9551 -0.9551 5.6631 5.6631 9.6169 9.6169 10.9174 10.9174 11.3308 11.3308 11.7456 11.7456 k = 0.5522-0.2709-0.1874 ( 12571 PWs) bands (ev): -41.4402 -41.4402 -22.1724 -22.1724 -21.3464 -21.3464 -21.1811 -21.1811 -21.1417 -21.1417 -20.5684 -20.5684 -20.5371 -20.5371 -7.6567 -7.6567 -4.8914 -4.8914 -4.4317 -4.4317 -4.2164 -4.2164 -2.9865 -2.9865 -2.5971 -2.5971 -2.4701 -2.4701 -2.3479 -2.3479 -2.2052 -2.2052 -2.0769 -2.0769 -1.9310 -1.9310 -1.8016 -1.8016 -1.5025 -1.5025 -1.3579 -1.3579 -1.2915 -1.2915 -1.0723 -1.0723 -1.0307 -1.0307 -0.9559 -0.9559 5.6705 5.6705 9.6277 9.6277 10.8996 10.8996 11.2899 11.2899 11.8030 11.8030 k = 0.5626-0.2600-0.1798 ( 12569 PWs) bands (ev): -41.4402 -41.4402 -22.1713 -22.1713 -21.3448 -21.3448 -21.1826 -21.1826 -21.1439 -21.1439 -20.5683 -20.5683 -20.5369 -20.5369 -7.6533 -7.6533 -4.8852 -4.8852 -4.4311 -4.4311 -4.2218 -4.2218 -2.9824 -2.9824 -2.6002 -2.6002 -2.4701 -2.4701 -2.3635 -2.3635 -2.1980 -2.1980 -2.0798 -2.0798 -1.9172 -1.9172 -1.7982 -1.7982 -1.5046 -1.5046 -1.3662 -1.3662 -1.2944 -1.2944 -1.0737 -1.0737 -1.0334 -1.0334 -0.9568 -0.9568 5.6794 5.6794 9.6406 9.6406 10.8778 10.8778 11.2518 11.2518 11.8612 11.8612 k = 0.5730-0.2492-0.1723 ( 12565 PWs) bands (ev): -41.4402 -41.4402 -22.1699 -22.1699 -21.3429 -21.3429 -21.1842 -21.1842 -21.1463 -21.1463 -20.5683 -20.5683 -20.5365 -20.5365 -7.6493 -7.6493 -4.8781 -4.8781 -4.4304 -4.4304 -4.2280 -4.2280 -2.9778 -2.9778 -2.6039 -2.6039 -2.4701 -2.4701 -2.3794 -2.3794 -2.1913 -2.1913 -2.0820 -2.0820 -1.9026 -1.9026 -1.7943 -1.7943 -1.5072 -1.5072 -1.3757 -1.3757 -1.2977 -1.2977 -1.0754 -1.0754 -1.0365 -1.0365 -0.9577 -0.9577 5.6896 5.6896 9.6558 9.6558 10.8523 10.8523 11.2166 11.2166 11.9202 11.9202 k = 0.5835-0.2383-0.1648 ( 12556 PWs) bands (ev): -41.4402 -41.4402 -22.1684 -22.1684 -21.3408 -21.3408 -21.1861 -21.1861 -21.1490 -21.1490 -20.5683 -20.5683 -20.5361 -20.5361 -7.6448 -7.6448 -4.8699 -4.8699 -4.4297 -4.4297 -4.2350 -4.2350 -2.9726 -2.9726 -2.6082 -2.6082 -2.4701 -2.4701 -2.3955 -2.3955 -2.1851 -2.1851 -2.0833 -2.0833 -1.8877 -1.8877 -1.7897 -1.7897 -1.5103 -1.5103 -1.3865 -1.3865 -1.3013 -1.3013 -1.0775 -1.0775 -1.0400 -1.0400 -0.9587 -0.9587 5.7011 5.7011 9.6731 9.6731 10.8233 10.8233 11.1842 11.1842 11.9795 11.9795 k = 0.5939-0.2275-0.1573 ( 12554 PWs) bands (ev): -41.4402 -41.4402 -22.1667 -22.1667 -21.3385 -21.3385 -21.1883 -21.1883 -21.1519 -21.1519 -20.5685 -20.5685 -20.5355 -20.5355 -7.6398 -7.6398 -4.8608 -4.8608 -4.4291 -4.4291 -4.2426 -4.2426 -2.9671 -2.9671 -2.6131 -2.6131 -2.4704 -2.4704 -2.4111 -2.4111 -2.1796 -2.1796 -2.0835 -2.0835 -1.8730 -1.8730 -1.7844 -1.7844 -1.5140 -1.5140 -1.3984 -1.3984 -1.3051 -1.3051 -1.0798 -1.0798 -1.0439 -1.0439 -0.9596 -0.9596 5.7138 5.7138 9.6924 9.6924 10.7915 10.7915 11.1545 11.1545 12.0392 12.0392 k = 0.6043-0.2166-0.1498 ( 12550 PWs) bands (ev): -41.4402 -41.4402 -22.1648 -22.1648 -21.3359 -21.3359 -21.1908 -21.1908 -21.1550 -21.1550 -20.5689 -20.5689 -20.5347 -20.5347 -7.6344 -7.6344 -4.8509 -4.8509 -4.4284 -4.4284 -4.2507 -4.2507 -2.9612 -2.9612 -2.6185 -2.6185 -2.4714 -2.4714 -2.4257 -2.4257 -2.1749 -2.1749 -2.0824 -2.0824 -1.8590 -1.8590 -1.7780 -1.7780 -1.5184 -1.5184 -1.4112 -1.4112 -1.3091 -1.3091 -1.0825 -1.0825 -1.0482 -1.0482 -0.9604 -0.9604 5.7275 5.7275 9.7135 9.7135 10.7572 10.7572 11.1272 11.1272 12.0988 12.0988 k = 0.6148-0.2058-0.1423 ( 12556 PWs) bands (ev): -41.4402 -41.4402 -22.1629 -22.1629 -21.3331 -21.3331 -21.1935 -21.1935 -21.1582 -21.1582 -20.5694 -20.5694 -20.5337 -20.5337 -7.6287 -7.6287 -4.8402 -4.8402 -4.4279 -4.4279 -4.2593 -4.2593 -2.9551 -2.9551 -2.6245 -2.6245 -2.4740 -2.4740 -2.4379 -2.4379 -2.1711 -2.1711 -2.0800 -2.0800 -1.8461 -1.8461 -1.7705 -1.7705 -1.5234 -1.5234 -1.4248 -1.4248 -1.3133 -1.3133 -1.0854 -1.0854 -1.0527 -1.0527 -0.9612 -0.9612 5.7421 5.7421 9.7364 9.7364 10.7212 10.7212 11.1019 11.1019 12.1583 12.1583 k = 0.6252-0.1949-0.1348 ( 12548 PWs) bands (ev): -41.4402 -41.4402 -22.1609 -22.1609 -21.3300 -21.3300 -21.1965 -21.1965 -21.1614 -21.1614 -20.5701 -20.5701 -20.5326 -20.5326 -7.6227 -7.6227 -4.8288 -4.8288 -4.4275 -4.4275 -4.2681 -4.2681 -2.9490 -2.9490 -2.6311 -2.6311 -2.4798 -2.4798 -2.4460 -2.4460 -2.1680 -2.1680 -2.0763 -2.0763 -1.8347 -1.8347 -1.7616 -1.7616 -1.5293 -1.5293 -1.4389 -1.4389 -1.3175 -1.3175 -1.0887 -1.0887 -1.0574 -1.0574 -0.9619 -0.9619 5.7574 5.7574 9.7609 9.7609 10.6839 10.6839 11.0783 11.0783 12.2172 12.2172 k = 0.6356-0.1841-0.1273 ( 12548 PWs) bands (ev): -41.4402 -41.4402 -22.1587 -22.1587 -21.3268 -21.3268 -21.1997 -21.1997 -21.1647 -21.1647 -20.5710 -20.5710 -20.5312 -20.5312 -7.6164 -7.6164 -4.8169 -4.8169 -4.4273 -4.4273 -4.2771 -4.2771 -2.9430 -2.9430 -2.6385 -2.6385 -2.4890 -2.4890 -2.4494 -2.4494 -2.1655 -2.1655 -2.0712 -2.0712 -1.8252 -1.8252 -1.7512 -1.7512 -1.5361 -1.5361 -1.4534 -1.4534 -1.3217 -1.3217 -1.0923 -1.0923 -1.0623 -1.0623 -0.9625 -0.9625 5.7732 5.7732 9.7867 9.7867 10.6460 10.6460 11.0563 11.0563 12.2754 12.2754 k = 0.6460-0.1732-0.1198 ( 12544 PWs) bands (ev): -41.4402 -41.4402 -22.1566 -22.1566 -21.3234 -21.3234 -21.2031 -21.2031 -21.1680 -21.1680 -20.5722 -20.5722 -20.5297 -20.5297 -7.6100 -7.6100 -4.8044 -4.8044 -4.4274 -4.4274 -4.2861 -4.2861 -2.9372 -2.9372 -2.6467 -2.6467 -2.4997 -2.4997 -2.4498 -2.4498 -2.1635 -2.1635 -2.0650 -2.0650 -1.8175 -1.8175 -1.7397 -1.7397 -1.5438 -1.5438 -1.4679 -1.4679 -1.3258 -1.3258 -1.0961 -1.0961 -1.0672 -1.0672 -0.9629 -0.9629 5.7894 5.7894 9.8136 9.8136 10.6080 10.6080 11.0355 11.0355 12.3324 12.3324 k = 0.6565-0.1624-0.1123 ( 12547 PWs) bands (ev): -41.4402 -41.4402 -22.1544 -22.1544 -21.3199 -21.3199 -21.2068 -21.2068 -21.1713 -21.1713 -20.5735 -20.5735 -20.5280 -20.5280 -7.6035 -7.6035 -4.7916 -4.7916 -4.4279 -4.4279 -4.2948 -4.2948 -2.9317 -2.9317 -2.6557 -2.6557 -2.5104 -2.5104 -2.4484 -2.4484 -2.1619 -2.1619 -2.0579 -2.0579 -1.8116 -1.8116 -1.7274 -1.7274 -1.5526 -1.5526 -1.4820 -1.4820 -1.3299 -1.3299 -1.1001 -1.1001 -1.0720 -1.0720 -0.9632 -0.9632 5.8058 5.8058 9.8414 9.8414 10.5704 10.5704 11.0159 11.0159 12.3880 12.3880 k = 0.6669-0.1515-0.1048 ( 12557 PWs) bands (ev): -41.4402 -41.4402 -22.1522 -22.1522 -21.3162 -21.3162 -21.2106 -21.2106 -21.1744 -21.1744 -20.5749 -20.5749 -20.5262 -20.5262 -7.5970 -7.5970 -4.7785 -4.7785 -4.4289 -4.4289 -4.3032 -4.3032 -2.9267 -2.9267 -2.6657 -2.6657 -2.5200 -2.5200 -2.4459 -2.4459 -2.1603 -2.1603 -2.0499 -2.0499 -1.8071 -1.8071 -1.7151 -1.7151 -1.5624 -1.5624 -1.4956 -1.4956 -1.3339 -1.3339 -1.1043 -1.1043 -1.0767 -1.0767 -0.9634 -0.9634 5.8222 5.8222 9.8697 9.8697 10.5338 10.5338 10.9974 10.9974 12.4418 12.4418 k = 0.6773-0.1407-0.0973 ( 12555 PWs) bands (ev): -41.4402 -41.4402 -22.1501 -22.1501 -21.3125 -21.3125 -21.2145 -21.2145 -21.1775 -21.1775 -20.5765 -20.5765 -20.5242 -20.5242 -7.5905 -7.5905 -4.7653 -4.7653 -4.4304 -4.4304 -4.3110 -4.3110 -2.9224 -2.9224 -2.6765 -2.6765 -2.5282 -2.5282 -2.4424 -2.4424 -2.1586 -2.1586 -2.0412 -2.0412 -1.8039 -1.8039 -1.7037 -1.7037 -1.5728 -1.5728 -1.5082 -1.5082 -1.3377 -1.3377 -1.1087 -1.1087 -1.0812 -1.0812 -0.9635 -0.9635 5.8383 5.8383 9.8979 9.8979 10.4987 10.4987 10.9800 10.9800 12.4933 12.4933 k = 0.6878-0.1298-0.0898 ( 12560 PWs) bands (ev): -41.4402 -41.4402 -22.1480 -22.1480 -21.3086 -21.3086 -21.2184 -21.2184 -21.1804 -21.1804 -20.5783 -20.5783 -20.5222 -20.5222 -7.5841 -7.5841 -4.7523 -4.7523 -4.4325 -4.4325 -4.3179 -4.3179 -2.9190 -2.9190 -2.6882 -2.6882 -2.5348 -2.5348 -2.4381 -2.4381 -2.1568 -2.1568 -2.0320 -2.0320 -1.8017 -1.8017 -1.6940 -1.6940 -1.5831 -1.5831 -1.5197 -1.5197 -1.3413 -1.3413 -1.1131 -1.1131 -1.0854 -1.0854 -0.9634 -0.9634 5.8541 5.8541 9.9257 9.9257 10.4657 10.4657 10.9636 10.9636 12.5421 12.5421 k = 0.6982-0.1190-0.0823 ( 12544 PWs) bands (ev): -41.4402 -41.4402 -22.1461 -22.1461 -21.3048 -21.3048 -21.2224 -21.2224 -21.1833 -21.1833 -20.5801 -20.5801 -20.5201 -20.5201 -7.5780 -7.5780 -4.7394 -4.7394 -4.4353 -4.4353 -4.3239 -4.3239 -2.9164 -2.9164 -2.7007 -2.7007 -2.5395 -2.5395 -2.4330 -2.4330 -2.1547 -2.1547 -2.0224 -2.0224 -1.8006 -1.8006 -1.6877 -1.6877 -1.5922 -1.5922 -1.5296 -1.5296 -1.3448 -1.3448 -1.1175 -1.1175 -1.0893 -1.0893 -0.9633 -0.9633 5.8692 5.8692 9.9521 9.9521 10.4356 10.4356 10.9482 10.9482 12.5879 12.5879 k = 0.7086-0.1081-0.0748 ( 12543 PWs) bands (ev): -41.4402 -41.4402 -22.1442 -22.1442 -21.3009 -21.3009 -21.2262 -21.2262 -21.1860 -21.1860 -20.5821 -20.5821 -20.5179 -20.5179 -7.5721 -7.5721 -4.7270 -4.7270 -4.4388 -4.4388 -4.3289 -4.3289 -2.9148 -2.9148 -2.7137 -2.7137 -2.5424 -2.5424 -2.4271 -2.4271 -2.1523 -2.1523 -2.0124 -2.0124 -1.8005 -1.8005 -1.6864 -1.6864 -1.5988 -1.5988 -1.5376 -1.5376 -1.3482 -1.3482 -1.1218 -1.1218 -1.0929 -1.0929 -0.9631 -0.9631 5.8834 5.8834 9.9764 9.9764 10.4094 10.4094 10.9340 10.9340 12.6303 12.6303 k = 0.7191-0.0972-0.0673 ( 12548 PWs) bands (ev): -41.4402 -41.4402 -22.1426 -22.1426 -21.2971 -21.2971 -21.2299 -21.2299 -21.1885 -21.1885 -20.5841 -20.5841 -20.5157 -20.5157 -7.5666 -7.5666 -4.7152 -4.7152 -4.4430 -4.4430 -4.3327 -4.3327 -2.9143 -2.9143 -2.7271 -2.7271 -2.5434 -2.5434 -2.4204 -2.4204 -2.1496 -2.1496 -2.0023 -2.0023 -1.8015 -1.8015 -1.6906 -1.6906 -1.6029 -1.6029 -1.5428 -1.5428 -1.3513 -1.3513 -1.1259 -1.1259 -1.0962 -1.0962 -0.9628 -0.9628 5.8966 5.8966 9.9972 9.9972 10.3881 10.3881 10.9210 10.9210 12.6691 12.6691 k = 0.7295-0.0864-0.0598 ( 12545 PWs) bands (ev): -41.4402 -41.4402 -22.1411 -22.1411 -21.2935 -21.2935 -21.2332 -21.2332 -21.1909 -21.1909 -20.5861 -20.5861 -20.5135 -20.5135 -7.5615 -7.5615 -4.7042 -4.7042 -4.4477 -4.4477 -4.3353 -4.3353 -2.9149 -2.9149 -2.7406 -2.7406 -2.5425 -2.5425 -2.4130 -2.4130 -2.1466 -2.1466 -1.9922 -1.9922 -1.8036 -1.8036 -1.6995 -1.6995 -1.6063 -1.6063 -1.5441 -1.5441 -1.3543 -1.3543 -1.1297 -1.1297 -1.0990 -1.0990 -0.9624 -0.9624 5.9085 5.9085 10.0133 10.0133 10.3729 10.3729 10.9092 10.9092 12.7040 12.7040 k = 0.7399-0.0755-0.0523 ( 12540 PWs) bands (ev): -41.4402 -41.4402 -22.1398 -22.1398 -21.2900 -21.2900 -21.2363 -21.2363 -21.1932 -21.1932 -20.5882 -20.5882 -20.5113 -20.5113 -7.5569 -7.5569 -4.6941 -4.6941 -4.4528 -4.4528 -4.3369 -4.3369 -2.9166 -2.9166 -2.7542 -2.7542 -2.5397 -2.5397 -2.4048 -2.4048 -2.1433 -2.1433 -1.9822 -1.9822 -1.8068 -1.8068 -1.7111 -1.7111 -1.6108 -1.6108 -1.5410 -1.5410 -1.3571 -1.3571 -1.1333 -1.1333 -1.1015 -1.1015 -0.9620 -0.9620 5.9191 5.9191 10.0235 10.0235 10.3649 10.3649 10.8988 10.8988 12.7350 12.7350 k = 0.7504-0.0647-0.0447 ( 12536 PWs) bands (ev): -41.4402 -41.4402 -22.1388 -22.1388 -21.2868 -21.2868 -21.2388 -21.2388 -21.1954 -21.1954 -20.5902 -20.5902 -20.5091 -20.5091 -7.5529 -7.5529 -4.6852 -4.6852 -4.4582 -4.4582 -4.3376 -4.3376 -2.9193 -2.9193 -2.7676 -2.7676 -2.5351 -2.5351 -2.3960 -2.3960 -2.1400 -2.1400 -1.9728 -1.9728 -1.8112 -1.8112 -1.7237 -1.7237 -1.6169 -1.6169 -1.5345 -1.5345 -1.3598 -1.3598 -1.1365 -1.1365 -1.1034 -1.1034 -0.9616 -0.9616 5.9280 5.9280 10.0273 10.0273 10.3644 10.3644 10.8898 10.8898 12.7621 12.7621 k = 0.7608-0.0538-0.0372 ( 12544 PWs) bands (ev): -41.4402 -41.4402 -22.1381 -22.1381 -21.2839 -21.2839 -21.2408 -21.2408 -21.1974 -21.1974 -20.5922 -20.5922 -20.5070 -20.5070 -7.5494 -7.5494 -4.6775 -4.6775 -4.4635 -4.4635 -4.3374 -4.3374 -2.9228 -2.9228 -2.7806 -2.7806 -2.5287 -2.5287 -2.3867 -2.3867 -2.1366 -2.1366 -1.9642 -1.9642 -1.8166 -1.8166 -1.7363 -1.7363 -1.6241 -1.6241 -1.5257 -1.5257 -1.3623 -1.3623 -1.1393 -1.1393 -1.1050 -1.1050 -0.9611 -0.9611 5.9350 5.9350 10.0250 10.0250 10.3709 10.3709 10.8825 10.8825 12.7856 12.7856 Writing output data file LiSbF6.save init_run : 0.66s CPU 0.84s WALL ( 1 calls) electrons : 248.96s CPU 251.56s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 248.96s CPU 251.55s 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 : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.15s WALL ( 271 calls) cegterg : 223.75s CPU 225.33s WALL ( 284 calls) Called by sum_band: Called by *egterg: h_psi : 166.13s CPU 167.33s WALL ( 4789 calls) s_psi : 6.05s CPU 5.62s WALL ( 4789 calls) g_psi : 0.50s CPU 0.55s WALL ( 4234 calls) cdiaghg : 36.87s CPU 37.43s WALL ( 4505 calls) cegterg:over : 12.71s CPU 12.75s WALL ( 4234 calls) cegterg:upda : 11.66s CPU 11.62s WALL ( 4234 calls) cegterg:last : 6.35s CPU 6.38s WALL ( 826 calls) cdiaghg:chol : 2.30s CPU 2.20s WALL ( 4505 calls) cdiaghg:inve : 1.28s CPU 1.40s WALL ( 4505 calls) cdiaghg:para : 2.30s CPU 2.33s WALL ( 9010 calls) Called by h_psi: h_psi:vloc : 152.62s CPU 153.67s WALL ( 4789 calls) h_psi:vnl : 12.92s CPU 13.05s WALL ( 4789 calls) add_vuspsi : 5.80s CPU 5.94s WALL ( 4789 calls) General routines calbec : 7.10s CPU 7.10s WALL ( 4789 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 144.28s CPU 145.19s WALL ( 626072 calls) davcio : 0.33s CPU 0.56s WALL ( 542 calls) Parallel routines fft_scatter : 42.81s CPU 43.57s WALL ( 626087 calls) PWSCF : 4m40.62s CPU 5m 1.33s WALL This run was terminated on: 18:16:57 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=