Program PWSCF v.5.4.0 starts on 12Feb2017 at 2:23:39 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./LiGeBO4.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group 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 71 71 19 1850 1850 272 Max 72 72 20 1853 1853 275 Sum 2565 2565 719 66667 66667 9867 bravais-lattice index = 14 lattice parameter (alat) = 8.8713 a.u. unit-cell volume = 471.8591 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 4 number of electrons = 34.00 number of Kohn-Sham states= 42 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)= 8.871283 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.540243 celldm(5)= -0.540243 celldm(6)= 0.080485 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.080485 0.996756 0.000000 ) a(3) = ( -0.540243 -0.498378 0.678054 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.080747 0.737404 ) b(2) = ( 0.000000 1.003255 0.737404 ) b(3) = ( 0.000000 0.000000 1.474809 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 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 O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 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. # 4 for B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) O 6.00 15.99940 O( 1.00) Li 3.00 6.94100 Li( 1.00) B 3.00 10.81100 B( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 366 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 2) = ( 0.0000000 0.0000000 0.0147481), wk = 0.0027322 k( 3) = ( 0.0000000 0.0000000 0.0294962), wk = 0.0027322 k( 4) = ( 0.0000000 0.0000000 0.0442443), wk = 0.0027322 k( 5) = ( 0.0000000 0.0000000 0.0589923), wk = 0.0027322 k( 6) = ( 0.0000000 0.0000000 0.0737404), wk = 0.0027322 k( 7) = ( 0.0000000 0.0000000 0.0884885), wk = 0.0027322 k( 8) = ( 0.0000000 0.0000000 0.1032366), wk = 0.0027322 k( 9) = ( 0.0000000 0.0000000 0.1179847), wk = 0.0027322 k( 10) = ( 0.0000000 0.0000000 0.1327328), wk = 0.0027322 k( 11) = ( 0.0000000 0.0000000 0.1474809), wk = 0.0027322 k( 12) = ( 0.0000000 0.0000000 0.1622290), wk = 0.0027322 k( 13) = ( 0.0000000 0.0000000 0.1769770), wk = 0.0027322 k( 14) = ( 0.0000000 0.0000000 0.1917251), wk = 0.0027322 k( 15) = ( 0.0000000 0.0000000 0.2064732), wk = 0.0027322 k( 16) = ( 0.0000000 0.0000000 0.2212213), wk = 0.0027322 k( 17) = ( 0.0000000 0.0000000 0.2359694), wk = 0.0027322 k( 18) = ( 0.0000000 0.0000000 0.2507175), wk = 0.0027322 k( 19) = ( 0.0000000 0.0000000 0.2654656), wk = 0.0027322 k( 20) = ( 0.0000000 0.0000000 0.2802136), wk = 0.0027322 k( 21) = ( 0.0000000 0.0000000 0.2949617), wk = 0.0027322 k( 22) = ( 0.0000000 0.0000000 0.3097098), wk = 0.0027322 k( 23) = ( 0.0000000 0.0000000 0.3244579), wk = 0.0027322 k( 24) = ( 0.0000000 0.0000000 0.3392060), wk = 0.0027322 k( 25) = ( 0.0000000 0.0000000 0.3539541), wk = 0.0027322 k( 26) = ( 0.0000000 0.0000000 0.3687022), wk = 0.0027322 k( 27) = ( 0.0000000 0.0000000 0.3834503), wk = 0.0027322 k( 28) = ( 0.0000000 0.0000000 0.3981983), wk = 0.0027322 k( 29) = ( 0.0000000 0.0000000 0.4129464), wk = 0.0027322 k( 30) = ( 0.0000000 0.0000000 0.4276945), wk = 0.0027322 k( 31) = ( 0.0000000 0.0000000 0.4424426), wk = 0.0027322 k( 32) = ( 0.0000000 0.0000000 0.4571907), wk = 0.0027322 k( 33) = ( 0.0000000 0.0000000 0.4719388), wk = 0.0027322 k( 34) = ( 0.0000000 0.0000000 0.4866869), wk = 0.0027322 k( 35) = ( 0.0000000 0.0000000 0.5014349), wk = 0.0027322 k( 36) = ( 0.0000000 0.0000000 0.5161830), wk = 0.0027322 k( 37) = ( 0.0000000 0.0000000 0.5309311), wk = 0.0027322 k( 38) = ( 0.0000000 0.0000000 0.5456792), wk = 0.0027322 k( 39) = ( 0.0000000 0.0000000 0.5604273), wk = 0.0027322 k( 40) = ( 0.0000000 0.0000000 0.5751754), wk = 0.0027322 k( 41) = ( 0.0000000 0.0000000 0.5899235), wk = 0.0027322 k( 42) = ( 0.0000000 0.0000000 0.6046715), wk = 0.0027322 k( 43) = ( 0.0000000 0.0000000 0.6194196), wk = 0.0027322 k( 44) = ( 0.0000000 0.0000000 0.6341677), wk = 0.0027322 k( 45) = ( 0.0000000 0.0000000 0.6489158), wk = 0.0027322 k( 46) = ( 0.0000000 0.0000000 0.6636639), wk = 0.0027322 k( 47) = ( 0.0000000 0.0000000 0.6784120), wk = 0.0027322 k( 48) = ( 0.0000000 0.0000000 0.6931601), wk = 0.0027322 k( 49) = ( 0.0000000 0.0000000 0.7079082), wk = 0.0027322 k( 50) = ( 0.0000000 0.0000000 0.7226562), wk = 0.0027322 k( 51) = ( 0.0000000 0.0000000 0.7374043), wk = 0.0027322 k( 52) = ( 0.0000000 0.0000000 0.7374043), wk = 0.0027322 k( 53) = ( -0.0101312 0.0109822 0.7374043), wk = 0.0027322 k( 54) = ( -0.0202624 0.0219645 0.7374043), wk = 0.0027322 k( 55) = ( -0.0303936 0.0329467 0.7374043), wk = 0.0027322 k( 56) = ( -0.0405248 0.0439289 0.7374043), wk = 0.0027322 k( 57) = ( -0.0506559 0.0549112 0.7374043), wk = 0.0027322 k( 58) = ( -0.0607871 0.0658934 0.7374043), wk = 0.0027322 k( 59) = ( -0.0709183 0.0768756 0.7374043), wk = 0.0027322 k( 60) = ( -0.0810495 0.0878579 0.7374043), wk = 0.0027322 k( 61) = ( -0.0911807 0.0988401 0.7374043), wk = 0.0027322 k( 62) = ( -0.1013119 0.1098223 0.7374043), wk = 0.0027322 k( 63) = ( -0.1114431 0.1208045 0.7374043), wk = 0.0027322 k( 64) = ( -0.1215743 0.1317868 0.7374043), wk = 0.0027322 k( 65) = ( -0.1317055 0.1427690 0.7374043), wk = 0.0027322 k( 66) = ( -0.1418367 0.1537512 0.7374043), wk = 0.0027322 k( 67) = ( -0.1519678 0.1647335 0.7374043), wk = 0.0027322 k( 68) = ( -0.1620990 0.1757157 0.7374043), wk = 0.0027322 k( 69) = ( -0.1722302 0.1866979 0.7374043), wk = 0.0027322 k( 70) = ( -0.1823614 0.1976802 0.7374043), wk = 0.0027322 k( 71) = ( -0.1924926 0.2086624 0.7374043), wk = 0.0027322 k( 72) = ( -0.2026238 0.2196446 0.7374043), wk = 0.0027322 k( 73) = ( -0.2127550 0.2306269 0.7374043), wk = 0.0027322 k( 74) = ( -0.2127550 0.2306269 0.7374043), wk = 0.0027322 k( 75) = ( -0.2195942 0.2380405 0.7273179), wk = 0.0027322 k( 76) = ( -0.2264333 0.2454542 0.7172314), wk = 0.0027322 k( 77) = ( -0.2332725 0.2528679 0.7071449), wk = 0.0027322 k( 78) = ( -0.2401117 0.2602815 0.6970585), wk = 0.0027322 k( 79) = ( -0.2469508 0.2676952 0.6869720), wk = 0.0027322 k( 80) = ( -0.2537900 0.2751089 0.6768856), wk = 0.0027322 k( 81) = ( -0.2606292 0.2825226 0.6667991), wk = 0.0027322 k( 82) = ( -0.2674683 0.2899362 0.6567126), wk = 0.0027322 k( 83) = ( -0.2743075 0.2973499 0.6466262), wk = 0.0027322 k( 84) = ( -0.2811467 0.3047636 0.6365397), wk = 0.0027322 k( 85) = ( -0.2879858 0.3121772 0.6264532), wk = 0.0027322 k( 86) = ( -0.2948250 0.3195909 0.6163668), wk = 0.0027322 k( 87) = ( -0.3016642 0.3270046 0.6062803), wk = 0.0027322 k( 88) = ( -0.3085033 0.3344183 0.5961938), wk = 0.0027322 k( 89) = ( -0.3153425 0.3418319 0.5861074), wk = 0.0027322 k( 90) = ( -0.3221817 0.3492456 0.5760209), wk = 0.0027322 k( 91) = ( -0.3290208 0.3566593 0.5659345), wk = 0.0027322 k( 92) = ( -0.3358600 0.3640729 0.5558480), wk = 0.0027322 k( 93) = ( -0.3426992 0.3714866 0.5457615), wk = 0.0027322 k( 94) = ( -0.3495383 0.3789003 0.5356751), wk = 0.0027322 k( 95) = ( -0.3563775 0.3863140 0.5255886), wk = 0.0027322 k( 96) = ( -0.3563775 0.3863140 0.5255886), wk = 0.0027322 k( 97) = ( -0.3492499 0.3785877 0.5150768), wk = 0.0027322 k( 98) = ( -0.3421224 0.3708614 0.5045651), wk = 0.0027322 k( 99) = ( -0.3349949 0.3631351 0.4940533), wk = 0.0027322 k( 100) = ( -0.3278673 0.3554088 0.4835415), wk = 0.0027322 k( 101) = ( -0.3207397 0.3476826 0.4730298), wk = 0.0027322 k( 102) = ( -0.3136122 0.3399563 0.4625180), wk = 0.0027322 k( 103) = ( -0.3064847 0.3322300 0.4520062), wk = 0.0027322 k( 104) = ( -0.2993571 0.3245037 0.4414944), wk = 0.0027322 k( 105) = ( -0.2922296 0.3167774 0.4309827), wk = 0.0027322 k( 106) = ( -0.2851020 0.3090512 0.4204709), wk = 0.0027322 k( 107) = ( -0.2779744 0.3013249 0.4099591), wk = 0.0027322 k( 108) = ( -0.2708469 0.2935986 0.3994474), wk = 0.0027322 k( 109) = ( -0.2637194 0.2858723 0.3889356), wk = 0.0027322 k( 110) = ( -0.2565918 0.2781461 0.3784238), wk = 0.0027322 k( 111) = ( -0.2494642 0.2704198 0.3679120), wk = 0.0027322 k( 112) = ( -0.2423367 0.2626935 0.3574003), wk = 0.0027322 k( 113) = ( -0.2352092 0.2549672 0.3468885), wk = 0.0027322 k( 114) = ( -0.2280816 0.2472409 0.3363767), wk = 0.0027322 k( 115) = ( -0.2209541 0.2395147 0.3258649), wk = 0.0027322 k( 116) = ( -0.2138265 0.2317884 0.3153532), wk = 0.0027322 k( 117) = ( -0.2066989 0.2240621 0.3048414), wk = 0.0027322 k( 118) = ( -0.1995714 0.2163358 0.2943296), wk = 0.0027322 k( 119) = ( -0.1924438 0.2086095 0.2838179), wk = 0.0027322 k( 120) = ( -0.1853163 0.2008833 0.2733061), wk = 0.0027322 k( 121) = ( -0.1781888 0.1931570 0.2627943), wk = 0.0027322 k( 122) = ( -0.1710612 0.1854307 0.2522825), wk = 0.0027322 k( 123) = ( -0.1639336 0.1777044 0.2417708), wk = 0.0027322 k( 124) = ( -0.1568061 0.1699781 0.2312590), wk = 0.0027322 k( 125) = ( -0.1496785 0.1622519 0.2207472), wk = 0.0027322 k( 126) = ( -0.1425510 0.1545256 0.2102354), wk = 0.0027322 k( 127) = ( -0.1354235 0.1467993 0.1997237), wk = 0.0027322 k( 128) = ( -0.1282959 0.1390730 0.1892119), wk = 0.0027322 k( 129) = ( -0.1211683 0.1313467 0.1787001), wk = 0.0027322 k( 130) = ( -0.1140408 0.1236205 0.1681884), wk = 0.0027322 k( 131) = ( -0.1069133 0.1158942 0.1576766), wk = 0.0027322 k( 132) = ( -0.0997857 0.1081679 0.1471648), wk = 0.0027322 k( 133) = ( -0.0926581 0.1004416 0.1366530), wk = 0.0027322 k( 134) = ( -0.0855306 0.0927154 0.1261413), wk = 0.0027322 k( 135) = ( -0.0784031 0.0849891 0.1156295), wk = 0.0027322 k( 136) = ( -0.0712755 0.0772628 0.1051177), wk = 0.0027322 k( 137) = ( -0.0641479 0.0695365 0.0946060), wk = 0.0027322 k( 138) = ( -0.0570204 0.0618102 0.0840942), wk = 0.0027322 k( 139) = ( -0.0498929 0.0540840 0.0735824), wk = 0.0027322 k( 140) = ( -0.0427653 0.0463577 0.0630706), wk = 0.0027322 k( 141) = ( -0.0356378 0.0386314 0.0525589), wk = 0.0027322 k( 142) = ( -0.0285102 0.0309051 0.0420471), wk = 0.0027322 k( 143) = ( -0.0213826 0.0231788 0.0315353), wk = 0.0027322 k( 144) = ( -0.0142551 0.0154526 0.0210235), wk = 0.0027322 k( 145) = ( -0.0071275 0.0077263 0.0105118), wk = 0.0027322 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 148) = ( 0.0108696 0.0100273 0.0000000), wk = 0.0027322 k( 149) = ( 0.0217391 0.0200545 -0.0000000), wk = 0.0027322 k( 150) = ( 0.0326087 0.0300818 -0.0000000), wk = 0.0027322 k( 151) = ( 0.0434783 0.0401090 -0.0000000), wk = 0.0027322 k( 152) = ( 0.0543478 0.0501363 0.0000000), wk = 0.0027322 k( 153) = ( 0.0652174 0.0601635 -0.0000000), wk = 0.0027322 k( 154) = ( 0.0760870 0.0701908 -0.0000000), wk = 0.0027322 k( 155) = ( 0.0869565 0.0802180 -0.0000000), wk = 0.0027322 k( 156) = ( 0.0978261 0.0902453 0.0000000), wk = 0.0027322 k( 157) = ( 0.1086957 0.1002725 0.0000000), wk = 0.0027322 k( 158) = ( 0.1195652 0.1102998 0.0000000), wk = 0.0027322 k( 159) = ( 0.1304348 0.1203271 -0.0000000), wk = 0.0027322 k( 160) = ( 0.1413043 0.1303543 -0.0000000), wk = 0.0027322 k( 161) = ( 0.1521739 0.1403816 -0.0000000), wk = 0.0027322 k( 162) = ( 0.1630435 0.1504088 -0.0000000), wk = 0.0027322 k( 163) = ( 0.1739130 0.1604361 -0.0000000), wk = 0.0027322 k( 164) = ( 0.1847826 0.1704633 -0.0000000), wk = 0.0027322 k( 165) = ( 0.1956522 0.1804906 -0.0000000), wk = 0.0027322 k( 166) = ( 0.2065217 0.1905178 0.0000000), wk = 0.0027322 k( 167) = ( 0.2173913 0.2005451 0.0000000), wk = 0.0027322 k( 168) = ( 0.2282609 0.2105723 -0.0000000), wk = 0.0027322 k( 169) = ( 0.2391304 0.2205996 -0.0000000), wk = 0.0027322 k( 170) = ( 0.2500000 0.2306269 -0.0000000), wk = 0.0027322 k( 171) = ( 0.2608696 0.2406541 -0.0000000), wk = 0.0027322 k( 172) = ( 0.2717391 0.2506814 -0.0000000), wk = 0.0027322 k( 173) = ( 0.2826087 0.2607086 -0.0000000), wk = 0.0027322 k( 174) = ( 0.2934783 0.2707359 -0.0000000), wk = 0.0027322 k( 175) = ( 0.3043478 0.2807631 -0.0000000), wk = 0.0027322 k( 176) = ( 0.3152174 0.2907904 -0.0000000), wk = 0.0027322 k( 177) = ( 0.3260870 0.3008176 -0.0000000), wk = 0.0027322 k( 178) = ( 0.3369565 0.3108449 -0.0000000), wk = 0.0027322 k( 179) = ( 0.3478261 0.3208722 -0.0000000), wk = 0.0027322 k( 180) = ( 0.3586956 0.3308994 0.0000000), wk = 0.0027322 k( 181) = ( 0.3695652 0.3409267 -0.0000000), wk = 0.0027322 k( 182) = ( 0.3804348 0.3509539 -0.0000000), wk = 0.0027322 k( 183) = ( 0.3913044 0.3609812 -0.0000000), wk = 0.0027322 k( 184) = ( 0.4021739 0.3710084 -0.0000000), wk = 0.0027322 k( 185) = ( 0.4130435 0.3810357 0.0000000), wk = 0.0027322 k( 186) = ( 0.4239130 0.3910629 -0.0000000), wk = 0.0027322 k( 187) = ( 0.4347826 0.4010902 -0.0000000), wk = 0.0027322 k( 188) = ( 0.4456522 0.4111174 -0.0000000), wk = 0.0027322 k( 189) = ( 0.4565217 0.4211447 -0.0000000), wk = 0.0027322 k( 190) = ( 0.4673913 0.4311719 0.0000000), wk = 0.0027322 k( 191) = ( 0.4782609 0.4411992 -0.0000000), wk = 0.0027322 k( 192) = ( 0.4891304 0.4512265 -0.0000000), wk = 0.0027322 k( 193) = ( 0.5000000 0.4612537 -0.0000000), wk = 0.0027322 k( 194) = ( 0.5000000 0.4612537 -0.0000000), wk = 0.0027322 k( 195) = ( 0.4931608 0.4686674 0.0100865), wk = 0.0027322 k( 196) = ( 0.4863217 0.4760811 0.0201729), wk = 0.0027322 k( 197) = ( 0.4794825 0.4834947 0.0302594), wk = 0.0027322 k( 198) = ( 0.4726433 0.4909084 0.0403459), wk = 0.0027322 k( 199) = ( 0.4658042 0.4983221 0.0504323), wk = 0.0027322 k( 200) = ( 0.4589650 0.5057357 0.0605188), wk = 0.0027322 k( 201) = ( 0.4521258 0.5131494 0.0706052), wk = 0.0027322 k( 202) = ( 0.4452867 0.5205631 0.0806917), wk = 0.0027322 k( 203) = ( 0.4384475 0.5279768 0.0907782), wk = 0.0027322 k( 204) = ( 0.4316083 0.5353904 0.1008646), wk = 0.0027322 k( 205) = ( 0.4247692 0.5428041 0.1109511), wk = 0.0027322 k( 206) = ( 0.4179300 0.5502178 0.1210375), wk = 0.0027322 k( 207) = ( 0.4110908 0.5576314 0.1311240), wk = 0.0027322 k( 208) = ( 0.4042517 0.5650451 0.1412105), wk = 0.0027322 k( 209) = ( 0.3974125 0.5724588 0.1512969), wk = 0.0027322 k( 210) = ( 0.3905733 0.5798725 0.1613834), wk = 0.0027322 k( 211) = ( 0.3837342 0.5872861 0.1714699), wk = 0.0027322 k( 212) = ( 0.3768950 0.5946998 0.1815563), wk = 0.0027322 k( 213) = ( 0.3700558 0.6021135 0.1916428), wk = 0.0027322 k( 214) = ( 0.3632167 0.6095271 0.2017293), wk = 0.0027322 k( 215) = ( 0.3563775 0.6169408 0.2118157), wk = 0.0027322 k( 216) = ( 0.3563775 0.6169408 0.2118157), wk = 0.0027322 k( 217) = ( 0.3436497 0.6128225 0.2174188), wk = 0.0027322 k( 218) = ( 0.3309220 0.6087041 0.2230219), wk = 0.0027322 k( 219) = ( 0.3181942 0.6045858 0.2286250), wk = 0.0027322 k( 220) = ( 0.3054664 0.6004675 0.2342281), wk = 0.0027322 k( 221) = ( 0.2927387 0.5963491 0.2398311), wk = 0.0027322 k( 222) = ( 0.2800109 0.5922308 0.2454342), wk = 0.0027322 k( 223) = ( 0.2672831 0.5881125 0.2510373), wk = 0.0027322 k( 224) = ( 0.2545554 0.5839941 0.2566404), wk = 0.0027322 k( 225) = ( 0.2418276 0.5798758 0.2622435), wk = 0.0027322 k( 226) = ( 0.2290998 0.5757574 0.2678466), wk = 0.0027322 k( 227) = ( 0.2163721 0.5716391 0.2734497), wk = 0.0027322 k( 228) = ( 0.2036443 0.5675208 0.2790528), wk = 0.0027322 k( 229) = ( 0.1909165 0.5634024 0.2846558), wk = 0.0027322 k( 230) = ( 0.1781888 0.5592841 0.2902589), wk = 0.0027322 k( 231) = ( 0.1654610 0.5551658 0.2958620), wk = 0.0027322 k( 232) = ( 0.1527332 0.5510474 0.3014651), wk = 0.0027322 k( 233) = ( 0.1400054 0.5469291 0.3070682), wk = 0.0027322 k( 234) = ( 0.1272777 0.5428108 0.3126713), wk = 0.0027322 k( 235) = ( 0.1145499 0.5386924 0.3182744), wk = 0.0027322 k( 236) = ( 0.1018221 0.5345741 0.3238775), wk = 0.0027322 k( 237) = ( 0.0890944 0.5304557 0.3294806), wk = 0.0027322 k( 238) = ( 0.0763666 0.5263374 0.3350836), wk = 0.0027322 k( 239) = ( 0.0636388 0.5222191 0.3406867), wk = 0.0027322 k( 240) = ( 0.0509111 0.5181007 0.3462898), wk = 0.0027322 k( 241) = ( 0.0381833 0.5139824 0.3518929), wk = 0.0027322 k( 242) = ( 0.0254555 0.5098641 0.3574960), wk = 0.0027322 k( 243) = ( 0.0127278 0.5057457 0.3630991), wk = 0.0027322 k( 244) = ( 0.0000000 0.5016274 0.3687022), wk = 0.0027322 k( 245) = ( 0.0000000 0.5016274 0.3687022), wk = 0.0027322 k( 246) = ( 0.0071429 0.4938845 0.3792365), wk = 0.0027322 k( 247) = ( 0.0142857 0.4861416 0.3897709), wk = 0.0027322 k( 248) = ( 0.0214286 0.4783988 0.4003052), wk = 0.0027322 k( 249) = ( 0.0285714 0.4706559 0.4108396), wk = 0.0027322 k( 250) = ( 0.0357143 0.4629130 0.4213739), wk = 0.0027322 k( 251) = ( 0.0428571 0.4551702 0.4319082), wk = 0.0027322 k( 252) = ( 0.0500000 0.4474273 0.4424426), wk = 0.0027322 k( 253) = ( 0.0571429 0.4396844 0.4529769), wk = 0.0027322 k( 254) = ( 0.0642857 0.4319415 0.4635113), wk = 0.0027322 k( 255) = ( 0.0714286 0.4241987 0.4740456), wk = 0.0027322 k( 256) = ( 0.0785714 0.4164558 0.4845800), wk = 0.0027322 k( 257) = ( 0.0857143 0.4087129 0.4951143), wk = 0.0027322 k( 258) = ( 0.0928571 0.4009700 0.5056487), wk = 0.0027322 k( 259) = ( 0.1000000 0.3932272 0.5161830), wk = 0.0027322 k( 260) = ( 0.1071429 0.3854843 0.5267174), wk = 0.0027322 k( 261) = ( 0.1142857 0.3777414 0.5372517), wk = 0.0027322 k( 262) = ( 0.1214286 0.3699986 0.5477861), wk = 0.0027322 k( 263) = ( 0.1285714 0.3622557 0.5583204), wk = 0.0027322 k( 264) = ( 0.1357143 0.3545128 0.5688548), wk = 0.0027322 k( 265) = ( 0.1428571 0.3467699 0.5793891), wk = 0.0027322 k( 266) = ( 0.1500000 0.3390271 0.5899235), wk = 0.0027322 k( 267) = ( 0.1571429 0.3312842 0.6004578), wk = 0.0027322 k( 268) = ( 0.1642857 0.3235413 0.6109922), wk = 0.0027322 k( 269) = ( 0.1714286 0.3157985 0.6215265), wk = 0.0027322 k( 270) = ( 0.1785714 0.3080556 0.6320609), wk = 0.0027322 k( 271) = ( 0.1857143 0.3003127 0.6425952), wk = 0.0027322 k( 272) = ( 0.1928571 0.2925698 0.6531295), wk = 0.0027322 k( 273) = ( 0.2000000 0.2848270 0.6636639), wk = 0.0027322 k( 274) = ( 0.2071429 0.2770841 0.6741982), wk = 0.0027322 k( 275) = ( 0.2142857 0.2693412 0.6847326), wk = 0.0027322 k( 276) = ( 0.2214286 0.2615983 0.6952669), wk = 0.0027322 k( 277) = ( 0.2285714 0.2538555 0.7058013), wk = 0.0027322 k( 278) = ( 0.2357143 0.2461126 0.7163356), wk = 0.0027322 k( 279) = ( 0.2428571 0.2383697 0.7268700), wk = 0.0027322 k( 280) = ( 0.2500000 0.2306269 0.7374043), wk = 0.0027322 k( 281) = ( 0.2500000 0.2306269 0.7374043), wk = 0.0027322 k( 282) = ( 0.2580645 0.2380664 0.7272826), wk = 0.0027322 k( 283) = ( 0.2661290 0.2455060 0.7171609), wk = 0.0027322 k( 284) = ( 0.2741936 0.2529456 0.7070392), wk = 0.0027322 k( 285) = ( 0.2822581 0.2603852 0.6969175), wk = 0.0027322 k( 286) = ( 0.2903226 0.2678247 0.6867958), wk = 0.0027322 k( 287) = ( 0.2983871 0.2752643 0.6766741), wk = 0.0027322 k( 288) = ( 0.3064516 0.2827039 0.6665524), wk = 0.0027322 k( 289) = ( 0.3145161 0.2901435 0.6564307), wk = 0.0027322 k( 290) = ( 0.3225807 0.2975830 0.6463090), wk = 0.0027322 k( 291) = ( 0.3306452 0.3050226 0.6361873), wk = 0.0027322 k( 292) = ( 0.3387097 0.3124622 0.6260656), wk = 0.0027322 k( 293) = ( 0.3467742 0.3199018 0.6159439), wk = 0.0027322 k( 294) = ( 0.3548387 0.3273413 0.6058222), wk = 0.0027322 k( 295) = ( 0.3629032 0.3347809 0.5957005), wk = 0.0027322 k( 296) = ( 0.3709677 0.3422205 0.5855787), wk = 0.0027322 k( 297) = ( 0.3790323 0.3496601 0.5754570), wk = 0.0027322 k( 298) = ( 0.3870968 0.3570996 0.5653353), wk = 0.0027322 k( 299) = ( 0.3951613 0.3645392 0.5552136), wk = 0.0027322 k( 300) = ( 0.4032258 0.3719788 0.5450919), wk = 0.0027322 k( 301) = ( 0.4112903 0.3794184 0.5349702), wk = 0.0027322 k( 302) = ( 0.4193548 0.3868580 0.5248485), wk = 0.0027322 k( 303) = ( 0.4274193 0.3942975 0.5147268), wk = 0.0027322 k( 304) = ( 0.4354839 0.4017371 0.5046051), wk = 0.0027322 k( 305) = ( 0.4435484 0.4091767 0.4944834), wk = 0.0027322 k( 306) = ( 0.4516129 0.4166163 0.4843617), wk = 0.0027322 k( 307) = ( 0.4596774 0.4240558 0.4742400), wk = 0.0027322 k( 308) = ( 0.4677419 0.4314954 0.4641183), wk = 0.0027322 k( 309) = ( 0.4758064 0.4389350 0.4539965), wk = 0.0027322 k( 310) = ( 0.4838710 0.4463746 0.4438748), wk = 0.0027322 k( 311) = ( 0.4919355 0.4538141 0.4337531), wk = 0.0027322 k( 312) = ( 0.5000000 0.4612537 0.4236314), wk = 0.0027322 k( 313) = ( 0.5000000 0.4612537 0.4236314), wk = 0.0027322 k( 314) = ( 0.5000000 0.4612537 0.4090234), wk = 0.0027322 k( 315) = ( 0.5000000 0.4612537 0.3944155), wk = 0.0027322 k( 316) = ( 0.5000000 0.4612537 0.3798075), wk = 0.0027322 k( 317) = ( 0.5000000 0.4612537 0.3651995), wk = 0.0027322 k( 318) = ( 0.5000000 0.4612537 0.3505915), wk = 0.0027322 k( 319) = ( 0.5000000 0.4612537 0.3359835), wk = 0.0027322 k( 320) = ( 0.5000000 0.4612537 0.3213756), wk = 0.0027322 k( 321) = ( 0.5000000 0.4612537 0.3067676), wk = 0.0027322 k( 322) = ( 0.5000000 0.4612537 0.2921596), wk = 0.0027322 k( 323) = ( 0.5000000 0.4612537 0.2775516), wk = 0.0027322 k( 324) = ( 0.5000000 0.4612537 0.2629437), wk = 0.0027322 k( 325) = ( 0.5000000 0.4612537 0.2483357), wk = 0.0027322 k( 326) = ( 0.5000000 0.4612537 0.2337277), wk = 0.0027322 k( 327) = ( 0.5000000 0.4612537 0.2191197), wk = 0.0027322 k( 328) = ( 0.5000000 0.4612537 0.2045117), wk = 0.0027322 k( 329) = ( 0.5000000 0.4612537 0.1899037), wk = 0.0027322 k( 330) = ( 0.5000000 0.4612537 0.1752958), wk = 0.0027322 k( 331) = ( 0.5000000 0.4612537 0.1606878), wk = 0.0027322 k( 332) = ( 0.5000000 0.4612537 0.1460798), wk = 0.0027322 k( 333) = ( 0.5000000 0.4612537 0.1314718), wk = 0.0027322 k( 334) = ( 0.5000000 0.4612537 0.1168638), wk = 0.0027322 k( 335) = ( 0.5000000 0.4612537 0.1022559), wk = 0.0027322 k( 336) = ( 0.5000000 0.4612537 0.0876479), wk = 0.0027322 k( 337) = ( 0.5000000 0.4612537 0.0730399), wk = 0.0027322 k( 338) = ( 0.5000000 0.4612537 0.0584319), wk = 0.0027322 k( 339) = ( 0.5000000 0.4612537 0.0438239), wk = 0.0027322 k( 340) = ( 0.5000000 0.4612537 0.0292160), wk = 0.0027322 k( 341) = ( 0.5000000 0.4612537 0.0146080), wk = 0.0027322 k( 342) = ( 0.5000000 0.4612537 -0.0000000), wk = 0.0027322 k( 343) = ( 0.0000000 0.0000000 0.7374043), wk = 0.0027322 k( 344) = ( 0.0108696 0.0100273 0.7374043), wk = 0.0027322 k( 345) = ( 0.0217391 0.0200545 0.7374043), wk = 0.0027322 k( 346) = ( 0.0326087 0.0300818 0.7374043), wk = 0.0027322 k( 347) = ( 0.0434783 0.0401090 0.7374043), wk = 0.0027322 k( 348) = ( 0.0543478 0.0501363 0.7374043), wk = 0.0027322 k( 349) = ( 0.0652174 0.0601635 0.7374043), wk = 0.0027322 k( 350) = ( 0.0760870 0.0701908 0.7374043), wk = 0.0027322 k( 351) = ( 0.0869565 0.0802180 0.7374043), wk = 0.0027322 k( 352) = ( 0.0978261 0.0902453 0.7374043), wk = 0.0027322 k( 353) = ( 0.1086957 0.1002725 0.7374043), wk = 0.0027322 k( 354) = ( 0.1195652 0.1102998 0.7374043), wk = 0.0027322 k( 355) = ( 0.1304348 0.1203271 0.7374043), wk = 0.0027322 k( 356) = ( 0.1413043 0.1303543 0.7374043), wk = 0.0027322 k( 357) = ( 0.1521739 0.1403816 0.7374043), wk = 0.0027322 k( 358) = ( 0.1630435 0.1504088 0.7374043), wk = 0.0027322 k( 359) = ( 0.1739130 0.1604361 0.7374043), wk = 0.0027322 k( 360) = ( 0.1847826 0.1704633 0.7374043), wk = 0.0027322 k( 361) = ( 0.1956522 0.1804906 0.7374043), wk = 0.0027322 k( 362) = ( 0.2065217 0.1905178 0.7374043), wk = 0.0027322 k( 363) = ( 0.2173913 0.2005451 0.7374043), wk = 0.0027322 k( 364) = ( 0.2282609 0.2105723 0.7374043), wk = 0.0027322 k( 365) = ( 0.2391304 0.2205996 0.7374043), wk = 0.0027322 k( 366) = ( 0.2500000 0.2306269 0.7374043), wk = 0.0027322 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 2) = ( 0.0000000 0.0000000 0.0100000), wk = 0.0027322 k( 3) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0027322 k( 4) = ( 0.0000000 0.0000000 0.0300000), wk = 0.0027322 k( 5) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0027322 k( 6) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0027322 k( 7) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0027322 k( 8) = ( 0.0000000 0.0000000 0.0700000), wk = 0.0027322 k( 9) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0027322 k( 10) = ( 0.0000000 0.0000000 0.0900000), wk = 0.0027322 k( 11) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0027322 k( 12) = ( 0.0000000 0.0000000 0.1100000), wk = 0.0027322 k( 13) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0027322 k( 14) = ( 0.0000000 0.0000000 0.1300000), wk = 0.0027322 k( 15) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0027322 k( 16) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0027322 k( 17) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0027322 k( 18) = ( 0.0000000 0.0000000 0.1700000), wk = 0.0027322 k( 19) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0027322 k( 20) = ( 0.0000000 0.0000000 0.1900000), wk = 0.0027322 k( 21) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0027322 k( 22) = ( 0.0000000 0.0000000 0.2100000), wk = 0.0027322 k( 23) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0027322 k( 24) = ( 0.0000000 0.0000000 0.2300000), wk = 0.0027322 k( 25) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0027322 k( 26) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027322 k( 27) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0027322 k( 28) = ( 0.0000000 0.0000000 0.2700000), wk = 0.0027322 k( 29) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0027322 k( 30) = ( 0.0000000 0.0000000 0.2900000), wk = 0.0027322 k( 31) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0027322 k( 32) = ( 0.0000000 0.0000000 0.3100000), wk = 0.0027322 k( 33) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0027322 k( 34) = ( 0.0000000 0.0000000 0.3300000), wk = 0.0027322 k( 35) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0027322 k( 36) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0027322 k( 37) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0027322 k( 38) = ( 0.0000000 0.0000000 0.3700000), wk = 0.0027322 k( 39) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0027322 k( 40) = ( 0.0000000 0.0000000 0.3900000), wk = 0.0027322 k( 41) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0027322 k( 42) = ( 0.0000000 0.0000000 0.4100000), wk = 0.0027322 k( 43) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0027322 k( 44) = ( 0.0000000 0.0000000 0.4300000), wk = 0.0027322 k( 45) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0027322 k( 46) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0027322 k( 47) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0027322 k( 48) = ( 0.0000000 0.0000000 0.4700000), wk = 0.0027322 k( 49) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0027322 k( 50) = ( 0.0000000 0.0000000 0.4900000), wk = 0.0027322 k( 51) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027322 k( 52) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027322 k( 53) = ( -0.0101312 0.0101312 0.5000000), wk = 0.0027322 k( 54) = ( -0.0202624 0.0202624 0.5000000), wk = 0.0027322 k( 55) = ( -0.0303936 0.0303936 0.5000000), wk = 0.0027322 k( 56) = ( -0.0405248 0.0405248 0.5000000), wk = 0.0027322 k( 57) = ( -0.0506559 0.0506559 0.5000000), wk = 0.0027322 k( 58) = ( -0.0607871 0.0607871 0.5000000), wk = 0.0027322 k( 59) = ( -0.0709183 0.0709183 0.5000000), wk = 0.0027322 k( 60) = ( -0.0810495 0.0810495 0.5000000), wk = 0.0027322 k( 61) = ( -0.0911807 0.0911807 0.5000000), wk = 0.0027322 k( 62) = ( -0.1013119 0.1013119 0.5000000), wk = 0.0027322 k( 63) = ( -0.1114431 0.1114431 0.5000000), wk = 0.0027322 k( 64) = ( -0.1215743 0.1215743 0.5000000), wk = 0.0027322 k( 65) = ( -0.1317055 0.1317055 0.5000000), wk = 0.0027322 k( 66) = ( -0.1418367 0.1418367 0.5000000), wk = 0.0027322 k( 67) = ( -0.1519678 0.1519678 0.5000000), wk = 0.0027322 k( 68) = ( -0.1620990 0.1620990 0.5000000), wk = 0.0027322 k( 69) = ( -0.1722302 0.1722302 0.5000000), wk = 0.0027322 k( 70) = ( -0.1823614 0.1823614 0.5000000), wk = 0.0027322 k( 71) = ( -0.1924926 0.1924926 0.5000000), wk = 0.0027322 k( 72) = ( -0.2026238 0.2026238 0.5000000), wk = 0.0027322 k( 73) = ( -0.2127550 0.2127550 0.5000000), wk = 0.0027322 k( 74) = ( -0.2127550 0.2127550 0.5000000), wk = 0.0027322 k( 75) = ( -0.2195942 0.2195942 0.4931608), wk = 0.0027322 k( 76) = ( -0.2264333 0.2264333 0.4863217), wk = 0.0027322 k( 77) = ( -0.2332725 0.2332725 0.4794825), wk = 0.0027322 k( 78) = ( -0.2401117 0.2401117 0.4726433), wk = 0.0027322 k( 79) = ( -0.2469508 0.2469508 0.4658042), wk = 0.0027322 k( 80) = ( -0.2537900 0.2537900 0.4589650), wk = 0.0027322 k( 81) = ( -0.2606292 0.2606292 0.4521258), wk = 0.0027322 k( 82) = ( -0.2674683 0.2674683 0.4452867), wk = 0.0027322 k( 83) = ( -0.2743075 0.2743075 0.4384475), wk = 0.0027322 k( 84) = ( -0.2811467 0.2811467 0.4316083), wk = 0.0027322 k( 85) = ( -0.2879858 0.2879858 0.4247692), wk = 0.0027322 k( 86) = ( -0.2948250 0.2948250 0.4179300), wk = 0.0027322 k( 87) = ( -0.3016642 0.3016642 0.4110908), wk = 0.0027322 k( 88) = ( -0.3085033 0.3085033 0.4042517), wk = 0.0027322 k( 89) = ( -0.3153425 0.3153425 0.3974125), wk = 0.0027322 k( 90) = ( -0.3221817 0.3221817 0.3905733), wk = 0.0027322 k( 91) = ( -0.3290208 0.3290208 0.3837342), wk = 0.0027322 k( 92) = ( -0.3358600 0.3358600 0.3768950), wk = 0.0027322 k( 93) = ( -0.3426992 0.3426992 0.3700558), wk = 0.0027322 k( 94) = ( -0.3495383 0.3495383 0.3632167), wk = 0.0027322 k( 95) = ( -0.3563775 0.3563775 0.3563775), wk = 0.0027322 k( 96) = ( -0.3563775 0.3563775 0.3563775), wk = 0.0027322 k( 97) = ( -0.3492499 0.3492499 0.3492499), wk = 0.0027322 k( 98) = ( -0.3421224 0.3421224 0.3421224), wk = 0.0027322 k( 99) = ( -0.3349949 0.3349949 0.3349949), wk = 0.0027322 k( 100) = ( -0.3278673 0.3278673 0.3278673), wk = 0.0027322 k( 101) = ( -0.3207397 0.3207397 0.3207397), wk = 0.0027322 k( 102) = ( -0.3136122 0.3136122 0.3136122), wk = 0.0027322 k( 103) = ( -0.3064847 0.3064847 0.3064847), wk = 0.0027322 k( 104) = ( -0.2993571 0.2993571 0.2993571), wk = 0.0027322 k( 105) = ( -0.2922296 0.2922296 0.2922296), wk = 0.0027322 k( 106) = ( -0.2851020 0.2851020 0.2851020), wk = 0.0027322 k( 107) = ( -0.2779744 0.2779744 0.2779745), wk = 0.0027322 k( 108) = ( -0.2708469 0.2708469 0.2708469), wk = 0.0027322 k( 109) = ( -0.2637194 0.2637194 0.2637194), wk = 0.0027322 k( 110) = ( -0.2565918 0.2565918 0.2565918), wk = 0.0027322 k( 111) = ( -0.2494642 0.2494642 0.2494643), wk = 0.0027322 k( 112) = ( -0.2423367 0.2423367 0.2423367), wk = 0.0027322 k( 113) = ( -0.2352092 0.2352092 0.2352092), wk = 0.0027322 k( 114) = ( -0.2280816 0.2280816 0.2280816), wk = 0.0027322 k( 115) = ( -0.2209541 0.2209541 0.2209541), wk = 0.0027322 k( 116) = ( -0.2138265 0.2138265 0.2138265), wk = 0.0027322 k( 117) = ( -0.2066989 0.2066989 0.2066990), wk = 0.0027322 k( 118) = ( -0.1995714 0.1995714 0.1995714), wk = 0.0027322 k( 119) = ( -0.1924438 0.1924439 0.1924438), wk = 0.0027322 k( 120) = ( -0.1853163 0.1853163 0.1853163), wk = 0.0027322 k( 121) = ( -0.1781888 0.1781887 0.1781888), wk = 0.0027322 k( 122) = ( -0.1710612 0.1710612 0.1710612), wk = 0.0027322 k( 123) = ( -0.1639336 0.1639336 0.1639337), wk = 0.0027322 k( 124) = ( -0.1568061 0.1568061 0.1568061), wk = 0.0027322 k( 125) = ( -0.1496785 0.1496786 0.1496786), wk = 0.0027322 k( 126) = ( -0.1425510 0.1425510 0.1425510), wk = 0.0027322 k( 127) = ( -0.1354235 0.1354235 0.1354235), wk = 0.0027322 k( 128) = ( -0.1282959 0.1282959 0.1282959), wk = 0.0027322 k( 129) = ( -0.1211683 0.1211683 0.1211684), wk = 0.0027322 k( 130) = ( -0.1140408 0.1140408 0.1140408), wk = 0.0027322 k( 131) = ( -0.1069133 0.1069133 0.1069133), wk = 0.0027322 k( 132) = ( -0.0997857 0.0997857 0.0997857), wk = 0.0027322 k( 133) = ( -0.0926581 0.0926581 0.0926582), wk = 0.0027322 k( 134) = ( -0.0855306 0.0855306 0.0855306), wk = 0.0027322 k( 135) = ( -0.0784031 0.0784030 0.0784031), wk = 0.0027322 k( 136) = ( -0.0712755 0.0712755 0.0712755), wk = 0.0027322 k( 137) = ( -0.0641479 0.0641479 0.0641480), wk = 0.0027322 k( 138) = ( -0.0570204 0.0570204 0.0570204), wk = 0.0027322 k( 139) = ( -0.0498929 0.0498929 0.0498929), wk = 0.0027322 k( 140) = ( -0.0427653 0.0427653 0.0427653), wk = 0.0027322 k( 141) = ( -0.0356378 0.0356378 0.0356378), wk = 0.0027322 k( 142) = ( -0.0285102 0.0285102 0.0285102), wk = 0.0027322 k( 143) = ( -0.0213826 0.0213826 0.0213826), wk = 0.0027322 k( 144) = ( -0.0142551 0.0142551 0.0142551), wk = 0.0027322 k( 145) = ( -0.0071275 0.0071275 0.0071276), wk = 0.0027322 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 148) = ( 0.0108696 0.0108696 -0.0108696), wk = 0.0027322 k( 149) = ( 0.0217391 0.0217391 -0.0217391), wk = 0.0027322 k( 150) = ( 0.0326087 0.0326087 -0.0326087), wk = 0.0027322 k( 151) = ( 0.0434783 0.0434783 -0.0434783), wk = 0.0027322 k( 152) = ( 0.0543478 0.0543478 -0.0543478), wk = 0.0027322 k( 153) = ( 0.0652174 0.0652174 -0.0652174), wk = 0.0027322 k( 154) = ( 0.0760870 0.0760870 -0.0760870), wk = 0.0027322 k( 155) = ( 0.0869565 0.0869565 -0.0869565), wk = 0.0027322 k( 156) = ( 0.0978261 0.0978261 -0.0978261), wk = 0.0027322 k( 157) = ( 0.1086957 0.1086957 -0.1086957), wk = 0.0027322 k( 158) = ( 0.1195652 0.1195652 -0.1195652), wk = 0.0027322 k( 159) = ( 0.1304348 0.1304348 -0.1304348), wk = 0.0027322 k( 160) = ( 0.1413043 0.1413044 -0.1413044), wk = 0.0027322 k( 161) = ( 0.1521739 0.1521739 -0.1521739), wk = 0.0027322 k( 162) = ( 0.1630435 0.1630435 -0.1630435), wk = 0.0027322 k( 163) = ( 0.1739130 0.1739130 -0.1739130), wk = 0.0027322 k( 164) = ( 0.1847826 0.1847826 -0.1847826), wk = 0.0027322 k( 165) = ( 0.1956522 0.1956522 -0.1956522), wk = 0.0027322 k( 166) = ( 0.2065217 0.2065217 -0.2065217), wk = 0.0027322 k( 167) = ( 0.2173913 0.2173913 -0.2173913), wk = 0.0027322 k( 168) = ( 0.2282609 0.2282609 -0.2282609), wk = 0.0027322 k( 169) = ( 0.2391304 0.2391304 -0.2391304), wk = 0.0027322 k( 170) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0027322 k( 171) = ( 0.2608696 0.2608696 -0.2608696), wk = 0.0027322 k( 172) = ( 0.2717391 0.2717391 -0.2717391), wk = 0.0027322 k( 173) = ( 0.2826087 0.2826087 -0.2826087), wk = 0.0027322 k( 174) = ( 0.2934783 0.2934783 -0.2934783), wk = 0.0027322 k( 175) = ( 0.3043478 0.3043478 -0.3043478), wk = 0.0027322 k( 176) = ( 0.3152174 0.3152174 -0.3152174), wk = 0.0027322 k( 177) = ( 0.3260870 0.3260870 -0.3260870), wk = 0.0027322 k( 178) = ( 0.3369565 0.3369565 -0.3369565), wk = 0.0027322 k( 179) = ( 0.3478261 0.3478261 -0.3478261), wk = 0.0027322 k( 180) = ( 0.3586956 0.3586956 -0.3586956), wk = 0.0027322 k( 181) = ( 0.3695652 0.3695652 -0.3695652), wk = 0.0027322 k( 182) = ( 0.3804348 0.3804348 -0.3804348), wk = 0.0027322 k( 183) = ( 0.3913044 0.3913044 -0.3913044), wk = 0.0027322 k( 184) = ( 0.4021739 0.4021739 -0.4021739), wk = 0.0027322 k( 185) = ( 0.4130435 0.4130435 -0.4130435), wk = 0.0027322 k( 186) = ( 0.4239130 0.4239130 -0.4239130), wk = 0.0027322 k( 187) = ( 0.4347826 0.4347826 -0.4347826), wk = 0.0027322 k( 188) = ( 0.4456522 0.4456522 -0.4456522), wk = 0.0027322 k( 189) = ( 0.4565217 0.4565217 -0.4565217), wk = 0.0027322 k( 190) = ( 0.4673913 0.4673913 -0.4673913), wk = 0.0027322 k( 191) = ( 0.4782609 0.4782609 -0.4782609), wk = 0.0027322 k( 192) = ( 0.4891304 0.4891304 -0.4891304), wk = 0.0027322 k( 193) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027322 k( 194) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027322 k( 195) = ( 0.4931608 0.5068392 -0.4931608), wk = 0.0027322 k( 196) = ( 0.4863217 0.5136783 -0.4863217), wk = 0.0027322 k( 197) = ( 0.4794825 0.5205175 -0.4794825), wk = 0.0027322 k( 198) = ( 0.4726433 0.5273567 -0.4726433), wk = 0.0027322 k( 199) = ( 0.4658042 0.5341958 -0.4658042), wk = 0.0027322 k( 200) = ( 0.4589650 0.5410350 -0.4589650), wk = 0.0027322 k( 201) = ( 0.4521258 0.5478742 -0.4521258), wk = 0.0027322 k( 202) = ( 0.4452867 0.5547133 -0.4452867), wk = 0.0027322 k( 203) = ( 0.4384475 0.5615525 -0.4384475), wk = 0.0027322 k( 204) = ( 0.4316083 0.5683917 -0.4316083), wk = 0.0027322 k( 205) = ( 0.4247692 0.5752308 -0.4247692), wk = 0.0027322 k( 206) = ( 0.4179300 0.5820700 -0.4179300), wk = 0.0027322 k( 207) = ( 0.4110908 0.5889092 -0.4110908), wk = 0.0027322 k( 208) = ( 0.4042517 0.5957483 -0.4042517), wk = 0.0027322 k( 209) = ( 0.3974125 0.6025875 -0.3974125), wk = 0.0027322 k( 210) = ( 0.3905733 0.6094267 -0.3905733), wk = 0.0027322 k( 211) = ( 0.3837342 0.6162658 -0.3837342), wk = 0.0027322 k( 212) = ( 0.3768950 0.6231050 -0.3768950), wk = 0.0027322 k( 213) = ( 0.3700558 0.6299442 -0.3700558), wk = 0.0027322 k( 214) = ( 0.3632167 0.6367833 -0.3632167), wk = 0.0027322 k( 215) = ( 0.3563775 0.6436225 -0.3563775), wk = 0.0027322 k( 216) = ( 0.3563775 0.6436225 -0.3563775), wk = 0.0027322 k( 217) = ( 0.3436497 0.6384931 -0.3436497), wk = 0.0027322 k( 218) = ( 0.3309220 0.6333638 -0.3309220), wk = 0.0027322 k( 219) = ( 0.3181942 0.6282344 -0.3181942), wk = 0.0027322 k( 220) = ( 0.3054664 0.6231050 -0.3054664), wk = 0.0027322 k( 221) = ( 0.2927387 0.6179756 -0.2927387), wk = 0.0027322 k( 222) = ( 0.2800109 0.6128463 -0.2800109), wk = 0.0027322 k( 223) = ( 0.2672831 0.6077169 -0.2672831), wk = 0.0027322 k( 224) = ( 0.2545554 0.6025875 -0.2545554), wk = 0.0027322 k( 225) = ( 0.2418276 0.5974581 -0.2418276), wk = 0.0027322 k( 226) = ( 0.2290998 0.5923287 -0.2290998), wk = 0.0027322 k( 227) = ( 0.2163721 0.5871994 -0.2163721), wk = 0.0027322 k( 228) = ( 0.2036443 0.5820700 -0.2036443), wk = 0.0027322 k( 229) = ( 0.1909165 0.5769406 -0.1909165), wk = 0.0027322 k( 230) = ( 0.1781888 0.5718112 -0.1781888), wk = 0.0027322 k( 231) = ( 0.1654610 0.5666819 -0.1654610), wk = 0.0027322 k( 232) = ( 0.1527332 0.5615525 -0.1527332), wk = 0.0027322 k( 233) = ( 0.1400054 0.5564231 -0.1400054), wk = 0.0027322 k( 234) = ( 0.1272777 0.5512937 -0.1272777), wk = 0.0027322 k( 235) = ( 0.1145499 0.5461644 -0.1145499), wk = 0.0027322 k( 236) = ( 0.1018221 0.5410350 -0.1018221), wk = 0.0027322 k( 237) = ( 0.0890944 0.5359056 -0.0890944), wk = 0.0027322 k( 238) = ( 0.0763666 0.5307762 -0.0763666), wk = 0.0027322 k( 239) = ( 0.0636388 0.5256469 -0.0636388), wk = 0.0027322 k( 240) = ( 0.0509111 0.5205175 -0.0509111), wk = 0.0027322 k( 241) = ( 0.0381833 0.5153881 -0.0381833), wk = 0.0027322 k( 242) = ( 0.0254555 0.5102587 -0.0254555), wk = 0.0027322 k( 243) = ( 0.0127278 0.5051294 -0.0127278), wk = 0.0027322 k( 244) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027322 k( 245) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027322 k( 246) = ( 0.0071429 0.4928571 0.0071429), wk = 0.0027322 k( 247) = ( 0.0142857 0.4857143 0.0142857), wk = 0.0027322 k( 248) = ( 0.0214286 0.4785714 0.0214286), wk = 0.0027322 k( 249) = ( 0.0285714 0.4714286 0.0285714), wk = 0.0027322 k( 250) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0027322 k( 251) = ( 0.0428571 0.4571429 0.0428571), wk = 0.0027322 k( 252) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0027322 k( 253) = ( 0.0571429 0.4428571 0.0571429), wk = 0.0027322 k( 254) = ( 0.0642857 0.4357143 0.0642857), wk = 0.0027322 k( 255) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0027322 k( 256) = ( 0.0785714 0.4214286 0.0785714), wk = 0.0027322 k( 257) = ( 0.0857143 0.4142857 0.0857143), wk = 0.0027322 k( 258) = ( 0.0928571 0.4071429 0.0928571), wk = 0.0027322 k( 259) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0027322 k( 260) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0027322 k( 261) = ( 0.1142857 0.3857143 0.1142857), wk = 0.0027322 k( 262) = ( 0.1214286 0.3785714 0.1214286), wk = 0.0027322 k( 263) = ( 0.1285714 0.3714286 0.1285714), wk = 0.0027322 k( 264) = ( 0.1357143 0.3642857 0.1357143), wk = 0.0027322 k( 265) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0027322 k( 266) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0027322 k( 267) = ( 0.1571429 0.3428571 0.1571429), wk = 0.0027322 k( 268) = ( 0.1642857 0.3357143 0.1642857), wk = 0.0027322 k( 269) = ( 0.1714286 0.3285714 0.1714286), wk = 0.0027322 k( 270) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0027322 k( 271) = ( 0.1857143 0.3142857 0.1857143), wk = 0.0027322 k( 272) = ( 0.1928571 0.3071429 0.1928571), wk = 0.0027322 k( 273) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0027322 k( 274) = ( 0.2071429 0.2928571 0.2071429), wk = 0.0027322 k( 275) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0027322 k( 276) = ( 0.2214286 0.2785714 0.2214286), wk = 0.0027322 k( 277) = ( 0.2285714 0.2714286 0.2285714), wk = 0.0027322 k( 278) = ( 0.2357143 0.2642857 0.2357143), wk = 0.0027322 k( 279) = ( 0.2428571 0.2571429 0.2428571), wk = 0.0027322 k( 280) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027322 k( 281) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027322 k( 282) = ( 0.2580645 0.2580645 0.2350724), wk = 0.0027322 k( 283) = ( 0.2661290 0.2661290 0.2201448), wk = 0.0027322 k( 284) = ( 0.2741936 0.2741936 0.2052173), wk = 0.0027322 k( 285) = ( 0.2822581 0.2822581 0.1902897), wk = 0.0027322 k( 286) = ( 0.2903226 0.2903226 0.1753621), wk = 0.0027322 k( 287) = ( 0.2983871 0.2983871 0.1604345), wk = 0.0027322 k( 288) = ( 0.3064516 0.3064516 0.1455069), wk = 0.0027322 k( 289) = ( 0.3145161 0.3145161 0.1305794), wk = 0.0027322 k( 290) = ( 0.3225807 0.3225806 0.1156518), wk = 0.0027322 k( 291) = ( 0.3306452 0.3306452 0.1007242), wk = 0.0027322 k( 292) = ( 0.3387097 0.3387097 0.0857966), wk = 0.0027322 k( 293) = ( 0.3467742 0.3467742 0.0708690), wk = 0.0027322 k( 294) = ( 0.3548387 0.3548387 0.0559415), wk = 0.0027322 k( 295) = ( 0.3629032 0.3629032 0.0410139), wk = 0.0027322 k( 296) = ( 0.3709677 0.3709677 0.0260863), wk = 0.0027322 k( 297) = ( 0.3790323 0.3790323 0.0111587), wk = 0.0027322 k( 298) = ( 0.3870968 0.3870968 -0.0037689), wk = 0.0027322 k( 299) = ( 0.3951613 0.3951613 -0.0186964), wk = 0.0027322 k( 300) = ( 0.4032258 0.4032258 -0.0336240), wk = 0.0027322 k( 301) = ( 0.4112903 0.4112903 -0.0485516), wk = 0.0027322 k( 302) = ( 0.4193548 0.4193548 -0.0634792), wk = 0.0027322 k( 303) = ( 0.4274193 0.4274194 -0.0784068), wk = 0.0027322 k( 304) = ( 0.4354839 0.4354839 -0.0933343), wk = 0.0027322 k( 305) = ( 0.4435484 0.4435484 -0.1082619), wk = 0.0027322 k( 306) = ( 0.4516129 0.4516129 -0.1231895), wk = 0.0027322 k( 307) = ( 0.4596774 0.4596774 -0.1381171), wk = 0.0027322 k( 308) = ( 0.4677419 0.4677419 -0.1530447), wk = 0.0027322 k( 309) = ( 0.4758064 0.4758064 -0.1679723), wk = 0.0027322 k( 310) = ( 0.4838710 0.4838710 -0.1828998), wk = 0.0027322 k( 311) = ( 0.4919355 0.4919355 -0.1978274), wk = 0.0027322 k( 312) = ( 0.5000000 0.5000000 -0.2127550), wk = 0.0027322 k( 313) = ( 0.5000000 0.5000000 -0.2127550), wk = 0.0027322 k( 314) = ( 0.5000000 0.5000000 -0.2226600), wk = 0.0027322 k( 315) = ( 0.5000000 0.5000000 -0.2325650), wk = 0.0027322 k( 316) = ( 0.5000000 0.5000000 -0.2424700), wk = 0.0027322 k( 317) = ( 0.5000000 0.5000000 -0.2523750), wk = 0.0027322 k( 318) = ( 0.5000000 0.5000000 -0.2622800), wk = 0.0027322 k( 319) = ( 0.5000000 0.5000000 -0.2721850), wk = 0.0027322 k( 320) = ( 0.5000000 0.5000000 -0.2820900), wk = 0.0027322 k( 321) = ( 0.5000000 0.5000000 -0.2919950), wk = 0.0027322 k( 322) = ( 0.5000000 0.5000000 -0.3019000), wk = 0.0027322 k( 323) = ( 0.5000000 0.5000000 -0.3118050), wk = 0.0027322 k( 324) = ( 0.5000000 0.5000000 -0.3217100), wk = 0.0027322 k( 325) = ( 0.5000000 0.5000000 -0.3316150), wk = 0.0027322 k( 326) = ( 0.5000000 0.5000000 -0.3415200), wk = 0.0027322 k( 327) = ( 0.5000000 0.5000000 -0.3514250), wk = 0.0027322 k( 328) = ( 0.5000000 0.5000000 -0.3613300), wk = 0.0027322 k( 329) = ( 0.5000000 0.5000000 -0.3712350), wk = 0.0027322 k( 330) = ( 0.5000000 0.5000000 -0.3811400), wk = 0.0027322 k( 331) = ( 0.5000000 0.5000000 -0.3910450), wk = 0.0027322 k( 332) = ( 0.5000000 0.5000000 -0.4009500), wk = 0.0027322 k( 333) = ( 0.5000000 0.5000000 -0.4108550), wk = 0.0027322 k( 334) = ( 0.5000000 0.5000000 -0.4207600), wk = 0.0027322 k( 335) = ( 0.5000000 0.5000000 -0.4306650), wk = 0.0027322 k( 336) = ( 0.5000000 0.5000000 -0.4405700), wk = 0.0027322 k( 337) = ( 0.5000000 0.5000000 -0.4504750), wk = 0.0027322 k( 338) = ( 0.5000000 0.5000000 -0.4603800), wk = 0.0027322 k( 339) = ( 0.5000000 0.5000000 -0.4702850), wk = 0.0027322 k( 340) = ( 0.5000000 0.5000000 -0.4801900), wk = 0.0027322 k( 341) = ( 0.5000000 0.5000000 -0.4900950), wk = 0.0027322 k( 342) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027322 k( 343) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027322 k( 344) = ( 0.0108696 0.0108696 0.4891304), wk = 0.0027322 k( 345) = ( 0.0217391 0.0217391 0.4782609), wk = 0.0027322 k( 346) = ( 0.0326087 0.0326087 0.4673913), wk = 0.0027322 k( 347) = ( 0.0434783 0.0434783 0.4565217), wk = 0.0027322 k( 348) = ( 0.0543478 0.0543478 0.4456522), wk = 0.0027322 k( 349) = ( 0.0652174 0.0652174 0.4347826), wk = 0.0027322 k( 350) = ( 0.0760870 0.0760870 0.4239130), wk = 0.0027322 k( 351) = ( 0.0869565 0.0869565 0.4130435), wk = 0.0027322 k( 352) = ( 0.0978261 0.0978261 0.4021739), wk = 0.0027322 k( 353) = ( 0.1086957 0.1086957 0.3913044), wk = 0.0027322 k( 354) = ( 0.1195652 0.1195652 0.3804348), wk = 0.0027322 k( 355) = ( 0.1304348 0.1304348 0.3695652), wk = 0.0027322 k( 356) = ( 0.1413043 0.1413044 0.3586956), wk = 0.0027322 k( 357) = ( 0.1521739 0.1521739 0.3478261), wk = 0.0027322 k( 358) = ( 0.1630435 0.1630435 0.3369565), wk = 0.0027322 k( 359) = ( 0.1739130 0.1739130 0.3260870), wk = 0.0027322 k( 360) = ( 0.1847826 0.1847826 0.3152174), wk = 0.0027322 k( 361) = ( 0.1956522 0.1956522 0.3043478), wk = 0.0027322 k( 362) = ( 0.2065217 0.2065217 0.2934783), wk = 0.0027322 k( 363) = ( 0.2173913 0.2173913 0.2826087), wk = 0.0027322 k( 364) = ( 0.2282609 0.2282609 0.2717391), wk = 0.0027322 k( 365) = ( 0.2391304 0.2391304 0.2608696), wk = 0.0027322 k( 366) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027322 Dense grid: 66667 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.30 Mb ( 464, 42) NL pseudopotentials 0.35 Mb ( 232, 98) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1852) G-vector shells 0.01 Mb ( 866) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.19 Mb ( 464, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.13 Mb ( 98, 2, 42) The potential is recalculated from file : ./LiGeBO4.save/charge-density.dat Starting wfc are 58 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 6.8 secs Computing kpt #: 3 total cpu time spent up to now is 7.6 secs Computing kpt #: 4 total cpu time spent up to now is 8.4 secs Computing kpt #: 5 total cpu time spent up to now is 9.3 secs Computing kpt #: 6 total cpu time spent up to now is 10.0 secs Computing kpt #: 7 total cpu time spent up to now is 10.6 secs Computing kpt #: 8 total cpu time spent up to now is 11.3 secs Computing kpt #: 9 total cpu time spent up to now is 12.0 secs Computing kpt #: 10 total cpu time spent up to now is 12.7 secs Computing kpt #: 11 total cpu time spent up to now is 13.4 secs Computing kpt #: 12 total cpu time spent up to now is 14.1 secs Computing kpt #: 13 total cpu time spent up to now is 14.8 secs Computing kpt #: 14 total cpu time spent up to now is 15.4 secs Computing kpt #: 15 total cpu time spent up to now is 16.1 secs Computing kpt #: 16 total cpu time spent up to now is 16.7 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 18.1 secs Computing kpt #: 19 total cpu time spent up to now is 18.8 secs Computing kpt #: 20 total cpu time spent up to now is 19.4 secs Computing kpt #: 21 total cpu time spent up to now is 20.1 secs Computing kpt #: 22 total cpu time spent up to now is 20.7 secs Computing kpt #: 23 total cpu time spent up to now is 21.4 secs Computing kpt #: 24 total cpu time spent up to now is 22.0 secs Computing kpt #: 25 total cpu time spent up to now is 22.7 secs Computing kpt #: 26 total cpu time spent up to now is 23.4 secs Computing kpt #: 27 total cpu time spent up to now is 24.0 secs Computing kpt #: 28 total cpu time spent up to now is 24.7 secs Computing kpt #: 29 total cpu time spent up to now is 25.5 secs Computing kpt #: 30 total cpu time spent up to now is 26.2 secs Computing kpt #: 31 total cpu time spent up to now is 26.9 secs Computing kpt #: 32 total cpu time spent up to now is 27.6 secs Computing kpt #: 33 total cpu time spent up to now is 28.2 secs Computing kpt #: 34 total cpu time spent up to now is 28.9 secs Computing kpt #: 35 total cpu time spent up to now is 29.6 secs Computing kpt #: 36 total cpu time spent up to now is 30.4 secs Computing kpt #: 37 total cpu time spent up to now is 31.0 secs Computing kpt #: 38 total cpu time spent up to now is 32.2 secs Computing kpt #: 39 total cpu time spent up to now is 32.9 secs Computing kpt #: 40 total cpu time spent up to now is 33.5 secs Computing kpt #: 41 total cpu time spent up to now is 34.2 secs Computing kpt #: 42 total cpu time spent up to now is 34.8 secs Computing kpt #: 43 total cpu time spent up to now is 35.5 secs Computing kpt #: 44 total cpu time spent up to now is 36.2 secs Computing kpt #: 45 total cpu time spent up to now is 36.8 secs Computing kpt #: 46 total cpu time spent up to now is 37.4 secs Computing kpt #: 47 total cpu time spent up to now is 38.1 secs Computing kpt #: 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Computing kpt #: 95 total cpu time spent up to now is 69.2 secs Computing kpt #: 96 total cpu time spent up to now is 69.8 secs Computing kpt #: 97 total cpu time spent up to now is 70.4 secs Computing kpt #: 98 total cpu time spent up to now is 71.1 secs Computing kpt #: 99 total cpu time spent up to now is 71.7 secs Computing kpt #: 100 total cpu time spent up to now is 72.4 secs Computing kpt #: 101 total cpu time spent up to now is 73.0 secs Computing kpt #: 102 total cpu time spent up to now is 73.6 secs Computing kpt #: 103 total cpu time spent up to now is 74.2 secs Computing kpt #: 104 total cpu time spent up to now is 74.9 secs Computing kpt #: 105 total cpu time spent up to now is 75.6 secs Computing kpt #: 106 total cpu time spent up to now is 76.2 secs Computing kpt #: 107 total cpu time spent up to now is 76.8 secs Computing kpt #: 108 total cpu time spent up to now is 77.5 secs Computing kpt #: 109 total cpu time spent up to now is 78.2 secs Computing kpt #: 110 total cpu 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total cpu time spent up to now is 112.1 secs Computing kpt #: 157 total cpu time spent up to now is 112.9 secs Computing kpt #: 158 total cpu time spent up to now is 113.7 secs Computing kpt #: 159 total cpu time spent up to now is 114.5 secs Computing kpt #: 160 total cpu time spent up to now is 115.3 secs Computing kpt #: 161 total cpu time spent up to now is 116.1 secs Computing kpt #: 162 total cpu time spent up to now is 116.8 secs Computing kpt #: 163 total cpu time spent up to now is 117.5 secs Computing kpt #: 164 total cpu time spent up to now is 118.2 secs Computing kpt #: 165 total cpu time spent up to now is 118.8 secs Computing kpt #: 166 total cpu time spent up to now is 119.5 secs Computing kpt #: 167 total cpu time spent up to now is 120.2 secs Computing kpt #: 168 total cpu time spent up to now is 120.8 secs Computing kpt #: 169 total cpu time spent up to now is 121.4 secs Computing kpt #: 170 total cpu time spent up to now is 122.0 secs Computing kpt #: 171 total cpu 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is 140.8 secs Computing kpt #: 202 total cpu time spent up to now is 141.4 secs Computing kpt #: 203 total cpu time spent up to now is 142.0 secs Computing kpt #: 204 total cpu time spent up to now is 142.6 secs Computing kpt #: 205 total cpu time spent up to now is 143.1 secs Computing kpt #: 206 total cpu time spent up to now is 143.8 secs Computing kpt #: 207 total cpu time spent up to now is 144.4 secs Computing kpt #: 208 total cpu time spent up to now is 145.0 secs Computing kpt #: 209 total cpu time spent up to now is 145.6 secs Computing kpt #: 210 total cpu time spent up to now is 146.2 secs Computing kpt #: 211 total cpu time spent up to now is 146.9 secs Computing kpt #: 212 total cpu time spent up to now is 147.5 secs Computing kpt #: 213 total cpu time spent up to now is 148.1 secs Computing kpt #: 214 total cpu time spent up to now is 148.7 secs Computing kpt #: 215 total cpu time spent up to now is 149.4 secs Computing kpt #: 216 total cpu time spent up to now is 150.0 secs Computing kpt #: 217 total cpu time spent up to now is 150.7 secs Computing kpt #: 218 total cpu time spent up to now is 151.3 secs Computing kpt #: 219 total cpu time spent up to now is 152.0 secs Computing kpt #: 220 total cpu time spent up to now is 152.6 secs Computing kpt #: 221 total cpu time spent up to now is 153.3 secs Computing kpt #: 222 total cpu time spent up to now is 154.0 secs Computing kpt #: 223 total cpu time spent up to now is 154.6 secs Computing kpt #: 224 total cpu time spent up to now is 155.3 secs Computing kpt #: 225 total cpu time spent up to now is 155.9 secs Computing kpt #: 226 total cpu time spent up to now is 156.6 secs Computing kpt #: 227 total cpu time spent up to now is 157.2 secs Computing kpt #: 228 total cpu time spent up to now is 157.9 secs Computing kpt #: 229 total cpu time spent up to now is 158.6 secs Computing kpt #: 230 total cpu time spent up to now is 159.2 secs Computing kpt #: 231 total cpu time spent up to now is 159.8 secs 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kpt #: 247 total cpu time spent up to now is 170.4 secs Computing kpt #: 248 total cpu time spent up to now is 171.0 secs Computing kpt #: 249 total cpu time spent up to now is 171.7 secs Computing kpt #: 250 total cpu time spent up to now is 172.3 secs Computing kpt #: 251 total cpu time spent up to now is 173.0 secs Computing kpt #: 252 total cpu time spent up to now is 173.6 secs Computing kpt #: 253 total cpu time spent up to now is 174.2 secs Computing kpt #: 254 total cpu time spent up to now is 175.0 secs Computing kpt #: 255 total cpu time spent up to now is 175.7 secs Computing kpt #: 256 total cpu time spent up to now is 176.4 secs Computing kpt #: 257 total cpu time spent up to now is 177.0 secs Computing kpt #: 258 total cpu time spent up to now is 177.6 secs Computing kpt #: 259 total cpu time spent up to now is 178.3 secs Computing kpt #: 260 total cpu time spent up to now is 179.0 secs Computing kpt #: 261 total cpu time spent up to now is 179.6 secs Computing kpt #: 262 total cpu time spent up to now is 180.2 secs Computing kpt #: 263 total cpu time spent up to now is 180.9 secs Computing kpt #: 264 total cpu time spent up to now is 181.6 secs Computing kpt #: 265 total cpu time spent up to now is 182.2 secs Computing kpt #: 266 total cpu time spent up to now is 182.8 secs Computing kpt #: 267 total cpu time spent up to now is 183.5 secs Computing kpt #: 268 total cpu time spent up to now is 184.1 secs Computing kpt #: 269 total cpu time spent up to now is 184.8 secs Computing kpt #: 270 total cpu time spent up to now is 185.4 secs Computing kpt #: 271 total cpu time spent up to now is 186.1 secs Computing kpt #: 272 total cpu time spent up to now is 186.7 secs Computing kpt #: 273 total cpu time spent up to now is 187.4 secs Computing kpt #: 274 total cpu time spent up to now is 188.0 secs Computing kpt #: 275 total cpu time spent up to now is 188.7 secs Computing kpt #: 276 total cpu time spent up to now is 189.3 secs Computing kpt #: 277 total cpu 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up to now is 199.8 secs Computing kpt #: 293 total cpu time spent up to now is 200.5 secs Computing kpt #: 294 total cpu time spent up to now is 201.1 secs Computing kpt #: 295 total cpu time spent up to now is 201.8 secs Computing kpt #: 296 total cpu time spent up to now is 202.4 secs Computing kpt #: 297 total cpu time spent up to now is 203.1 secs Computing kpt #: 298 total cpu time spent up to now is 203.7 secs Computing kpt #: 299 total cpu time spent up to now is 204.4 secs Computing kpt #: 300 total cpu time spent up to now is 205.1 secs Computing kpt #: 301 total cpu time spent up to now is 205.8 secs Computing kpt #: 302 total cpu time spent up to now is 206.5 secs Computing kpt #: 303 total cpu time spent up to now is 207.1 secs Computing kpt #: 304 total cpu time spent up to now is 207.8 secs Computing kpt #: 305 total cpu time spent up to now is 208.4 secs Computing kpt #: 306 total cpu time spent up to now is 209.1 secs Computing kpt #: 307 total cpu time spent up to now is 209.8 secs Computing kpt #: 308 total cpu time spent up to now is 210.5 secs Computing kpt #: 309 total cpu time spent up to now is 211.1 secs Computing kpt #: 310 total cpu time spent up to now is 211.7 secs Computing kpt #: 311 total cpu time spent up to now is 212.4 secs Computing kpt #: 312 total cpu time spent up to now is 213.0 secs Computing kpt #: 313 total cpu time spent up to now is 213.7 secs Computing kpt #: 314 total cpu time spent up to now is 214.4 secs Computing kpt #: 315 total cpu time spent up to now is 215.0 secs Computing kpt #: 316 total cpu time spent up to now is 215.6 secs Computing kpt #: 317 total cpu time spent up to now is 216.2 secs Computing kpt #: 318 total cpu time spent up to now is 216.9 secs Computing kpt #: 319 total cpu time spent up to now is 217.5 secs Computing kpt #: 320 total cpu time spent up to now is 218.1 secs Computing kpt #: 321 total cpu time spent up to now is 218.8 secs Computing kpt #: 322 total cpu time spent up to now is 219.4 secs Computing kpt #: 323 total cpu time spent up to now is 220.0 secs Computing kpt #: 324 total cpu time spent up to now is 220.7 secs Computing kpt #: 325 total cpu time spent up to now is 221.3 secs Computing kpt #: 326 total cpu time spent up to now is 222.0 secs Computing kpt #: 327 total cpu time spent up to now is 222.6 secs Computing kpt #: 328 total cpu time spent up to now is 223.2 secs Computing kpt #: 329 total cpu time spent up to now is 223.8 secs Computing kpt #: 330 total cpu time spent up to now is 224.4 secs Computing kpt #: 331 total cpu time spent up to now is 225.0 secs Computing kpt #: 332 total cpu time spent up to now is 225.6 secs Computing kpt #: 333 total cpu time spent up to now is 226.3 secs Computing kpt #: 334 total cpu time spent up to now is 226.9 secs Computing kpt #: 335 total cpu time spent up to now is 227.6 secs Computing kpt #: 336 total cpu time spent up to now is 228.2 secs Computing kpt #: 337 total cpu time spent up to now is 228.8 secs Computing kpt #: 338 total cpu time spent up to now is 229.4 secs Computing kpt #: 339 total cpu time spent up to now is 230.0 secs Computing kpt #: 340 total cpu time spent up to now is 230.6 secs Computing kpt #: 341 total cpu time spent up to now is 231.2 secs Computing kpt #: 342 total cpu time spent up to now is 231.8 secs Computing kpt #: 343 total cpu time spent up to now is 232.5 secs Computing kpt #: 344 total cpu time spent up to now is 233.1 secs Computing kpt #: 345 total cpu time spent up to now is 233.8 secs Computing kpt #: 346 total cpu time spent up to now is 234.5 secs Computing kpt #: 347 total cpu time spent up to now is 235.2 secs Computing kpt #: 348 total cpu time spent up to now is 235.8 secs Computing kpt #: 349 total cpu time spent up to now is 236.5 secs Computing kpt #: 350 total cpu time spent up to now is 237.2 secs Computing kpt #: 351 total cpu time spent up to now is 237.8 secs Computing kpt #: 352 total cpu time spent up to now is 238.5 secs Computing kpt #: 353 total cpu time spent up to now is 239.2 secs Computing kpt #: 354 total cpu time spent up to now is 239.8 secs Computing kpt #: 355 total cpu time spent up to now is 240.4 secs Computing kpt #: 356 total cpu time spent up to now is 241.1 secs Computing kpt #: 357 total cpu time spent up to now is 241.8 secs Computing kpt #: 358 total cpu time spent up to now is 242.4 secs Computing kpt #: 359 total cpu time spent up to now is 243.1 secs Computing kpt #: 360 total cpu time spent up to now is 243.7 secs Computing kpt #: 361 total cpu time spent up to now is 244.3 secs Computing kpt #: 362 total cpu time spent up to now is 245.0 secs Computing kpt #: 363 total cpu time spent up to now is 245.6 secs Computing kpt #: 364 total cpu time spent up to now is 246.3 secs Computing kpt #: 365 total cpu time spent up to now is 246.9 secs Computing kpt #: 366 total cpu time spent up to now is 247.6 secs ethr = 2.94E-08, avg # of iterations = 16.7 total cpu time spent up to now is 247.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8321 PWs) bands (ev): -38.5451 -38.5451 -15.9946 -15.9946 -13.3729 -13.3729 -13.3629 -13.3629 -13.0281 -13.0281 -5.1326 -5.1326 -2.2094 -2.2094 -2.1777 -2.1777 -1.2449 -1.2449 0.2951 0.2951 1.0643 1.0643 1.9064 1.9064 2.5998 2.5998 2.6129 2.6129 3.0997 3.0997 3.1147 3.1147 3.2659 3.2659 8.7404 8.7404 11.3892 11.3892 14.2284 14.2284 14.3291 14.3291 k = 0.0000 0.0000 0.0147 ( 8341 PWs) bands (ev): -38.5451 -38.5451 -15.9941 -15.9941 -13.3735 -13.3732 -13.3633 -13.3633 -13.0285 -13.0281 -5.1320 -5.1320 -2.2105 -2.2087 -2.1779 -2.1778 -1.2447 -1.2429 0.2941 0.2951 1.0649 1.0651 1.9067 1.9068 2.5996 2.6002 2.6128 2.6131 3.0983 3.0997 3.1139 3.1141 3.2645 3.2657 8.7427 8.7428 11.3908 11.3917 14.2186 14.2200 14.3055 14.3119 k = 0.0000 0.0000 0.0295 ( 8349 PWs) bands (ev): -38.5451 -38.5451 -15.9924 -15.9924 -13.3750 -13.3744 -13.3645 -13.3644 -13.0293 -13.0286 -5.1302 -5.1301 -2.2127 -2.2087 -2.1782 -2.1776 -1.2425 -1.2388 0.2921 0.2940 1.0670 1.0673 1.9078 1.9080 2.5993 2.6004 2.6130 2.6136 3.0952 3.0980 3.1118 3.1125 3.2616 3.2640 8.7499 8.7500 11.3964 11.3982 14.1916 14.1943 14.2889 14.2934 k = 0.0000 0.0000 0.0442 ( 8345 PWs) bands (ev): -38.5451 -38.5451 -15.9897 -15.9897 -13.3778 -13.3770 -13.3660 -13.3657 -13.0306 -13.0295 -5.1271 -5.1271 -2.2169 -2.2107 -2.1774 -2.1759 -1.2383 -1.2327 0.2891 0.2919 1.0704 1.0710 1.9096 1.9099 2.5986 2.6003 2.6135 2.6144 3.0897 3.0939 3.1093 3.1108 3.2573 3.2608 8.7618 8.7620 11.4060 11.4087 14.1533 14.1572 14.2788 14.2813 k = 0.0000 0.0000 0.0590 ( 8345 PWs) bands (ev): -38.5451 -38.5451 -15.9859 -15.9859 -13.3822 -13.3812 -13.3676 -13.3669 -13.0323 -13.0309 -5.1229 -5.1228 -2.2240 -2.2158 -2.1743 -2.1719 -1.2320 -1.2248 0.2851 0.2888 1.0752 1.0760 1.9121 1.9125 2.5973 2.5992 2.6148 2.6157 3.0818 3.0871 3.1069 3.1095 3.2515 3.2561 8.7784 8.7786 11.4196 11.4232 14.1093 14.1141 14.2700 14.2722 k = 0.0000 0.0000 0.0737 ( 8333 PWs) bands (ev): -38.5451 -38.5451 -15.9810 -15.9810 -13.3883 -13.3871 -13.3690 -13.3681 -13.0344 -13.0327 -5.1174 -5.1173 -2.2341 -2.2242 -2.1684 -2.1652 -1.2239 -1.2150 0.2801 0.2847 1.0814 1.0823 1.9154 1.9160 2.5949 2.5969 2.6167 2.6178 3.0716 3.0779 3.1047 3.1085 3.2443 3.2500 8.7995 8.7997 11.4371 11.4417 14.0623 14.0677 14.2607 14.2637 k = 0.0000 0.0000 0.0885 ( 8321 PWs) bands (ev): -38.5451 -38.5451 -15.9751 -15.9751 -13.3959 -13.3947 -13.3705 -13.3692 -13.0370 -13.0349 -5.1108 -5.1107 -2.2469 -2.2356 -2.1600 -2.1561 -1.2140 -1.2036 0.2741 0.2796 1.0888 1.0899 1.9195 1.9202 2.5909 2.5930 2.6191 2.6205 3.0599 3.0670 3.1027 3.1076 3.2359 3.2427 8.8249 8.8251 11.4584 11.4640 14.0134 14.0191 14.2505 14.2547 k = 0.0000 0.0000 0.1032 ( 8329 PWs) bands (ev): -38.5451 -38.5451 -15.9681 -15.9681 -13.4051 -13.4038 -13.3719 -13.3703 -13.0400 -13.0377 -5.1030 -5.1028 -2.2621 -2.2496 -2.1495 -2.1449 -1.2025 -1.1907 0.2672 0.2736 1.0974 1.0987 1.9245 1.9253 2.5850 2.5872 2.6220 2.6236 3.0473 3.0550 3.1006 3.1068 3.2263 3.2343 8.8544 8.8547 11.4834 11.4900 13.9630 13.9689 14.2394 14.2448 k = 0.0000 0.0000 0.1180 ( 8337 PWs) bands (ev): -38.5451 -38.5451 -15.9600 -15.9600 -13.4157 -13.4143 -13.3734 -13.3714 -13.0435 -13.0408 -5.0940 -5.0938 -2.2793 -2.2658 -2.1370 -2.1316 -1.1895 -1.1764 0.2593 0.2666 1.1071 1.1086 1.9303 1.9312 2.5769 2.5791 2.6251 2.6269 3.0344 3.0427 3.0982 3.1058 3.2159 3.2250 8.8878 8.8881 11.5121 11.5197 13.9114 13.9174 14.2274 14.2340 k = 0.0000 0.0000 0.1327 ( 8337 PWs) bands (ev): -38.5451 -38.5451 -15.9509 -15.9508 -13.4277 -13.4262 -13.3750 -13.3727 -13.0475 -13.0445 -5.0838 -5.0836 -2.2983 -2.2838 -2.1226 -2.1166 -1.1752 -1.1610 0.2506 0.2587 1.1178 1.1195 1.9370 1.9381 2.5662 2.5684 2.6283 2.6302 3.0217 3.0307 3.0955 3.1046 3.2050 3.2154 8.9248 8.9252 11.5442 11.5530 13.8588 13.8649 14.2145 14.2223 k = 0.0000 0.0000 0.1475 ( 8321 PWs) bands (ev): -38.5451 -38.5451 -15.9407 -15.9406 -13.4410 -13.4394 -13.3766 -13.3741 -13.0519 -13.0486 -5.0725 -5.0723 -2.3188 -2.3036 -2.1065 -2.0997 -1.1598 -1.1445 0.2411 0.2500 1.1294 1.1313 1.9446 1.9458 2.5526 2.5548 2.6313 2.6334 3.0099 3.0195 3.0922 3.1030 3.1941 3.2057 8.9652 8.9657 11.5796 11.5896 13.8053 13.8114 14.2008 14.2098 k = 0.0000 0.0000 0.1622 ( 8321 PWs) bands (ev): -38.5451 -38.5451 -15.9294 -15.9294 -13.4556 -13.4540 -13.3783 -13.3755 -13.0568 -13.0532 -5.0600 -5.0598 -2.3408 -2.3249 -2.0886 -2.0812 -1.1434 -1.1271 0.2308 0.2405 1.1416 1.1437 1.9530 1.9543 2.5358 2.5380 2.6341 2.6362 2.9992 3.0094 3.0882 3.1005 3.1840 3.1967 9.0087 9.0092 11.6182 11.6295 13.7511 13.7571 14.1865 14.1968 k = 0.0000 0.0000 0.1770 ( 8325 PWs) bands (ev): -38.5451 -38.5451 -15.9172 -15.9171 -13.4714 -13.4698 -13.3802 -13.3770 -13.0621 -13.0583 -5.0465 -5.0463 -2.3641 -2.3476 -2.0691 -2.0609 -1.1262 -1.1091 0.2198 0.2303 1.1544 1.1566 1.9623 1.9638 2.5158 2.5179 2.6364 2.6385 2.9895 3.0002 3.0835 3.0969 3.1756 3.1890 9.0550 9.0556 11.6598 11.6724 13.6961 13.7020 14.1719 14.1835 k = 0.0000 0.0000 0.1917 ( 8317 PWs) bands (ev): -38.5451 -38.5451 -15.9039 -15.9038 -13.4885 -13.4868 -13.3821 -13.3787 -13.0679 -13.0638 -5.0318 -5.0316 -2.3884 -2.3715 -2.0479 -2.0391 -1.1083 -1.0904 0.2084 0.2196 1.1675 1.1699 1.9724 1.9740 2.4927 2.4947 2.6382 2.6401 2.9805 2.9917 3.0784 3.0922 3.1696 3.1832 9.1038 9.1044 11.7042 11.7182 13.6406 13.6464 14.1570 14.1700 k = 0.0000 0.0000 0.2065 ( 8321 PWs) bands (ev): -38.5450 -38.5450 -15.8896 -15.8896 -13.5066 -13.5049 -13.3840 -13.3804 -13.0741 -13.0698 -5.0161 -5.0159 -2.4138 -2.3964 -2.0253 -2.0158 -1.0899 -1.0714 0.1964 0.2084 1.1806 1.1831 1.9832 1.9850 2.4667 2.4686 2.6392 2.6410 2.9715 2.9830 3.0736 3.0868 3.1666 3.1796 9.1547 9.1554 11.7511 11.7667 13.5845 13.5903 14.1421 14.1566 k = 0.0000 0.0000 0.2212 ( 8323 PWs) bands (ev): -38.5450 -38.5450 -15.8743 -15.8743 -13.5259 -13.5242 -13.3860 -13.3821 -13.0807 -13.0761 -4.9994 -4.9991 -2.4400 -2.4223 -2.0012 -1.9910 -1.0712 -1.0520 0.1842 0.1969 1.1935 1.1962 1.9947 1.9967 2.4383 2.4402 2.6394 2.6410 2.9613 2.9729 3.0702 3.0820 3.1666 3.1785 9.2075 9.2083 11.8003 11.8176 13.5281 13.5338 14.1275 14.1435 k = 0.0000 0.0000 0.2360 ( 8323 PWs) bands (ev): -38.5450 -38.5450 -15.8580 -15.8580 -13.5463 -13.5446 -13.3881 -13.3839 -13.0877 -13.0830 -4.9816 -4.9813 -2.4669 -2.4490 -1.9756 -1.9648 -1.0522 -1.0326 0.1717 0.1851 1.2060 1.2088 2.0068 2.0090 2.4081 2.4099 2.6386 2.6400 2.9491 2.9603 3.0692 3.0792 3.1692 3.1796 9.2619 9.2627 11.8516 11.8707 13.4715 13.4771 14.1132 14.1310 k = 0.0000 0.0000 0.2507 ( 8319 PWs) bands (ev): -38.5450 -38.5450 -15.8408 -15.8408 -13.5677 -13.5661 -13.3902 -13.3858 -13.0952 -13.0902 -4.9628 -4.9626 -2.4945 -2.4764 -1.9488 -1.9372 -1.0332 -1.0131 0.1593 0.1733 1.2176 1.2205 2.0193 2.0217 2.3766 2.3784 2.6369 2.6381 2.9341 2.9450 3.0714 3.0794 3.1739 3.1830 9.3175 9.3184 11.9047 11.9258 13.4147 13.4202 14.0996 14.1193 k = 0.0000 0.0000 0.2655 ( 8319 PWs) bands (ev): -38.5450 -38.5450 -15.8226 -15.8226 -13.5901 -13.5885 -13.3923 -13.3877 -13.1030 -13.0978 -4.9431 -4.9428 -2.5226 -2.5045 -1.9207 -1.9084 -1.0142 -0.9938 0.1469 0.1616 1.2281 1.2312 2.0320 2.0346 2.3445 2.3464 2.6343 2.6353 2.9166 2.9269 3.0764 3.0827 3.1805 3.1882 9.3740 9.3750 11.9592 11.9824 13.3579 13.3635 14.0868 14.1085 k = 0.0000 0.0000 0.2802 ( 8327 PWs) bands (ev): -38.5450 -38.5450 -15.8035 -15.8035 -13.6135 -13.6120 -13.3944 -13.3896 -13.1111 -13.1057 -4.9225 -4.9222 -2.5513 -2.5331 -1.8914 -1.8784 -0.9955 -0.9747 0.1349 0.1502 1.2372 1.2403 2.0447 2.0475 2.3124 2.3145 2.6307 2.6316 2.8970 2.9068 3.0841 3.0890 3.1887 3.1951 9.4312 9.4322 12.0148 12.0404 13.3013 13.3070 14.0749 14.0990 k = 0.0000 0.0000 0.2950 ( 8319 PWs) bands (ev): -38.5450 -38.5450 -15.7835 -15.7834 -13.6379 -13.6364 -13.3966 -13.3915 -13.1196 -13.1140 -4.9009 -4.9007 -2.5803 -2.5621 -1.8610 -1.8474 -0.9771 -0.9561 0.1233 0.1392 1.2446 1.2477 2.0569 2.0600 2.2811 2.2834 2.6263 2.6271 2.8759 2.8853 3.0939 3.0976 3.1982 3.2035 9.4887 9.4898 12.0712 12.0993 13.2449 13.2510 14.0641 14.0908 k = 0.0000 0.0000 0.3097 ( 8323 PWs) bands (ev): -38.5450 -38.5450 -15.7625 -15.7625 -13.6631 -13.6617 -13.3986 -13.3934 -13.1284 -13.1225 -4.8785 -4.8782 -2.6097 -2.5916 -1.8297 -1.8153 -0.9592 -0.9380 0.1122 0.1288 1.2499 1.2529 2.0681 2.0714 2.2514 2.2541 2.6210 2.6219 2.8540 2.8630 3.1052 3.1082 3.2090 3.2133 9.5462 9.5474 12.1280 12.1588 13.1891 13.1956 14.0545 14.0840 k = 0.0000 0.0000 0.3245 ( 8323 PWs) bands (ev): -38.5450 -38.5450 -15.7408 -15.7407 -13.6892 -13.6878 -13.4007 -13.3952 -13.1374 -13.1314 -4.8553 -4.8550 -2.6393 -2.6214 -1.7975 -1.7824 -0.9419 -0.9206 0.1020 0.1191 1.2529 1.2559 2.0773 2.0808 2.2242 2.2274 2.6152 2.6163 2.8319 2.8406 3.1179 3.1203 3.2209 3.2243 9.6036 9.6048 12.1846 12.2185 13.1339 13.1413 14.0462 14.0787 k = 0.0000 0.0000 0.3392 ( 8319 PWs) bands (ev): -38.5450 -38.5450 -15.7182 -15.7181 -13.7162 -13.7148 -13.4027 -13.3970 -13.1467 -13.1405 -4.8313 -4.8310 -2.6692 -2.6514 -1.7646 -1.7488 -0.9254 -0.9040 0.0927 0.1104 1.2534 1.2562 2.0830 2.0865 2.2013 2.2051 2.6089 2.6105 2.8102 2.8185 3.1316 3.1336 3.2337 3.2363 9.6604 9.6617 12.2408 12.2780 13.0797 13.0882 14.0390 14.0750 k = 0.0000 0.0000 0.3540 ( 8327 PWs) bands (ev): -38.5450 -38.5450 -15.6947 -15.6947 -13.7439 -13.7426 -13.4046 -13.3988 -13.1561 -13.1497 -4.8066 -4.8063 -2.6992 -2.6816 -1.7310 -1.7146 -0.9098 -0.8884 0.0845 0.1026 1.2514 1.2540 2.0828 2.0858 2.1848 2.1893 2.6025 2.6045 2.7894 2.7974 3.1460 3.1477 3.2473 3.2491 9.7164 9.7178 12.2958 12.3366 13.0266 13.0369 14.0330 14.0726 k = 0.0000 0.0000 0.3687 ( 8325 PWs) bands (ev): -38.5450 -38.5450 -15.6705 -15.6705 -13.7723 -13.7712 -13.4065 -13.4005 -13.1657 -13.1592 -4.7812 -4.7809 -2.7293 -2.7120 -1.6970 -1.6798 -0.8952 -0.8738 0.0775 0.0961 1.2467 1.2492 2.0748 2.0768 2.1766 2.1814 2.5962 2.5987 2.7700 2.7777 3.1610 3.1625 3.2614 3.2627 9.7714 9.7728 12.3490 12.3940 12.9749 12.9878 14.0280 14.0714 k = 0.0000 0.0000 0.3835 ( 8319 PWs) bands (ev): -38.5449 -38.5449 -15.6455 -15.6455 -13.8015 -13.8004 -13.4082 -13.4020 -13.1755 -13.1688 -4.7552 -4.7549 -2.7595 -2.7424 -1.6626 -1.6447 -0.8817 -0.8604 0.0719 0.0910 1.2396 1.2418 2.0597 2.0606 2.1748 2.1800 2.5902 2.5933 2.7527 2.7600 3.1764 3.1778 3.2760 3.2768 9.8250 9.8265 12.3997 12.4493 12.9251 12.9417 14.0235 14.0710 k = 0.0000 0.0000 0.3982 ( 8313 PWs) bands (ev): -38.5449 -38.5449 -15.6199 -15.6198 -13.8313 -13.8303 -13.4098 -13.4035 -13.1853 -13.1785 -4.7286 -4.7282 -2.7897 -2.7729 -1.6280 -1.6095 -0.8695 -0.8482 0.0678 0.0872 1.2301 1.2322 2.0394 2.0409 2.1762 2.1820 2.5849 2.5885 2.7377 2.7448 3.1921 3.1933 3.2909 3.2914 9.8772 9.8786 12.4466 12.5017 12.8776 12.8997 14.0191 14.0708 k = 0.0000 0.0000 0.4129 ( 8309 PWs) bands (ev): -38.5449 -38.5449 -15.5935 -15.5935 -13.8617 -13.8608 -13.4113 -13.4048 -13.1952 -13.1882 -4.7015 -4.7011 -2.8198 -2.8035 -1.5933 -1.5742 -0.8585 -0.8374 0.0654 0.0851 1.2185 1.2206 2.0163 2.0190 2.1780 2.1845 2.5805 2.5846 2.7257 2.7325 3.2079 3.2091 3.3059 3.3064 9.9275 9.9289 12.4881 12.5500 12.8334 12.8634 14.0144 14.0701 k = 0.0000 0.0000 0.4277 ( 8314 PWs) bands (ev): -38.5449 -38.5449 -15.5665 -15.5665 -13.8927 -13.8918 -13.4127 -13.4060 -13.2052 -13.1980 -4.6740 -4.6736 -2.8499 -2.8339 -1.5587 -1.5390 -0.8490 -0.8280 0.0647 0.0847 1.2052 1.2075 1.9917 1.9957 2.1786 2.1860 2.5773 2.5819 2.7168 2.7234 3.2238 3.2249 3.3209 3.3216 9.9759 9.9772 12.5216 12.5917 12.7945 12.8358 14.0086 14.0680 k = 0.0000 0.0000 0.4424 ( 8314 PWs) bands (ev): -38.5449 -38.5449 -15.5390 -15.5389 -13.9241 -13.9234 -13.4139 -13.4071 -13.2151 -13.2078 -4.6461 -4.6456 -2.8798 -2.8643 -1.5244 -1.5040 -0.8410 -0.8201 0.0658 0.0860 1.1904 1.1932 1.9661 1.9714 2.1772 2.1854 2.5757 2.5805 2.7112 2.7178 3.2395 3.2406 3.3358 3.3367 10.0220 10.0234 12.5435 12.6215 12.7658 12.8205 14.0010 14.0635 k = 0.0000 0.0000 0.4572 ( 8314 PWs) bands (ev): -38.5449 -38.5449 -15.5109 -15.5108 -13.9560 -13.9553 -13.4149 -13.4080 -13.2250 -13.2176 -4.6179 -4.6174 -2.9096 -2.8944 -1.4904 -1.4695 -0.8345 -0.8137 0.0689 0.0892 1.1745 1.1779 1.9396 1.9463 2.1730 2.1822 2.5758 2.5807 2.7090 2.7155 3.2551 3.2562 3.3506 3.3517 10.0657 10.0671 12.5508 12.6295 12.7572 12.8204 13.9912 14.0560 k = 0.0000 0.0000 0.4719 ( 8310 PWs) bands (ev): -38.5449 -38.5449 -15.4823 -15.4823 -13.9883 -13.9876 -13.4157 -13.4086 -13.2348 -13.2273 -4.5896 -4.5890 -2.9390 -2.9244 -1.4570 -1.4356 -0.8296 -0.8089 0.0741 0.0943 1.1578 1.1620 1.9126 1.9205 2.1659 2.1759 2.5777 2.5826 2.7100 2.7164 3.2704 3.2716 3.3652 3.3665 10.1069 10.1082 12.5443 12.6142 12.7708 12.8343 13.9788 14.0449 k = 0.0000 0.0000 0.4867 ( 8312 PWs) bands (ev): -38.5449 -38.5449 -15.4533 -15.4533 -14.0208 -14.0202 -13.4163 -13.4091 -13.2445 -13.2370 -4.5611 -4.5604 -2.9682 -2.9541 -1.4242 -1.4024 -0.8264 -0.8058 0.0815 0.1015 1.1405 1.1456 1.8852 1.8945 2.1557 2.1665 2.5816 2.5862 2.7139 2.7202 3.2853 3.2865 3.3795 3.3809 10.1455 10.1467 12.5285 12.5879 12.7951 12.8568 13.9639 14.0303 k = 0.0000 0.0000 0.5014 ( 8326 PWs) bands (ev): -38.5449 -38.5449 -15.4240 -15.4240 -14.0535 -14.0530 -13.4167 -13.4094 -13.2541 -13.2465 -4.5327 -4.5319 -2.9970 -2.9834 -1.3923 -1.3699 -0.8249 -0.8043 0.0910 0.1108 1.1227 1.1289 1.8579 1.8685 2.1425 2.1541 2.5872 2.5914 2.7203 2.7265 3.2997 3.3010 3.3935 3.3948 10.1812 10.1823 12.5079 12.5590 12.8222 12.8830 13.9465 14.0125 k = 0.0000 0.0000 0.5162 ( 8326 PWs) bands (ev): -38.5449 -38.5449 -15.3945 -15.3944 -14.0863 -14.0859 -13.4168 -13.4095 -13.2636 -13.2558 -4.5044 -4.5036 -3.0253 -3.0123 -1.3612 -1.3385 -0.8251 -0.8045 0.1029 0.1222 1.1046 1.1118 1.8310 1.8429 2.1266 2.1389 2.5943 2.5982 2.7289 2.7348 3.3136 3.3150 3.4069 3.4083 10.2141 10.2151 12.4856 12.5306 12.8494 12.9099 13.9273 13.9922 k = 0.0000 0.0000 0.5309 ( 8328 PWs) bands (ev): -38.5449 -38.5449 -15.3648 -15.3647 -14.1191 -14.1187 -13.4167 -13.4093 -13.2728 -13.2650 -4.4763 -4.4754 -3.0531 -3.0406 -1.3310 -1.3080 -0.8270 -0.8064 0.1171 0.1359 1.0860 1.0942 1.8051 1.8184 2.1083 2.1212 2.6027 2.6062 2.7391 2.7448 3.3268 3.3283 3.4199 3.4213 10.2440 10.2451 12.4635 12.5037 12.8754 12.9356 13.9068 13.9701 k = 0.0000 0.0000 0.5457 ( 8340 PWs) bands (ev): -38.5449 -38.5449 -15.3350 -15.3350 -14.1518 -14.1514 -13.4164 -13.4089 -13.2818 -13.2740 -4.4487 -4.4478 -3.0801 -3.0683 -1.3018 -1.2786 -0.8306 -0.8100 0.1336 0.1518 1.0668 1.0760 1.7807 1.7952 2.0879 2.1012 2.6120 2.6151 2.7505 2.7559 3.3393 3.3408 3.4323 3.4336 10.2711 10.2721 12.4426 12.4790 12.8998 12.9595 13.8856 13.9469 k = 0.0000 0.0000 0.5604 ( 8348 PWs) bands (ev): -38.5449 -38.5449 -15.3054 -15.3054 -14.1842 -14.1839 -13.4158 -13.4082 -13.2906 -13.2827 -4.4217 -4.4207 -3.1064 -3.0953 -1.2737 -1.2502 -0.8359 -0.8153 0.1525 0.1699 1.0469 1.0569 1.7585 1.7742 2.0658 2.0795 2.6219 2.6246 2.7627 2.7678 3.3509 3.3526 3.4441 3.4453 10.2953 10.2963 12.4233 12.4566 12.9225 12.9812 13.8644 13.9233 k = 0.0000 0.0000 0.5752 ( 8348 PWs) bands (ev): -38.5449 -38.5449 -15.2761 -15.2760 -14.2161 -14.2159 -13.4149 -13.4073 -13.2991 -13.2912 -4.3954 -4.3943 -3.1318 -3.1214 -1.2465 -1.2230 -0.8428 -0.8221 0.1736 0.1902 1.0259 1.0366 1.7390 1.7557 2.0423 2.0563 2.6320 2.6343 2.7755 2.7802 3.3618 3.3635 3.4552 3.4563 10.3168 10.3177 12.4061 12.4365 12.9433 13.0005 13.8437 13.8999 k = 0.0000 0.0000 0.5899 ( 8348 PWs) bands (ev): -38.5448 -38.5448 -15.2472 -15.2471 -14.2474 -14.2472 -13.4137 -13.4062 -13.3072 -13.2994 -4.3700 -4.3690 -3.1560 -3.1463 -1.2204 -1.1967 -0.8513 -0.8306 0.1968 0.2125 1.0038 1.0151 1.7228 1.7403 2.0176 2.0319 2.6421 2.6441 2.7883 2.7927 3.3717 3.3734 3.4656 3.4666 10.3355 10.3364 12.3910 12.4187 12.9623 13.0174 13.8240 13.8771 k = 0.0000 0.0000 0.6047 ( 8340 PWs) bands (ev): -38.5448 -38.5448 -15.2190 -15.2190 -14.2778 -14.2776 -13.4123 -13.4048 -13.3151 -13.3073 -4.3459 -4.3448 -3.1790 -3.1701 -1.1952 -1.1715 -0.8614 -0.8405 0.2219 0.2366 0.9804 0.9920 1.7102 1.7284 1.9922 2.0068 2.6518 2.6536 2.8009 2.8050 3.3807 3.3824 3.4752 3.4761 10.3518 10.3527 12.3780 12.4031 12.9795 13.0319 13.8057 13.8554 k = 0.0000 0.0000 0.6194 ( 8336 PWs) bands (ev): -38.5448 -38.5448 -15.1918 -15.1918 -14.3069 -14.3068 -13.4106 -13.4032 -13.3225 -13.3148 -4.3232 -4.3221 -3.2005 -3.1924 -1.1709 -1.1473 -0.8728 -0.8518 0.2486 0.2622 0.9558 0.9674 1.7015 1.7202 1.9662 1.9810 2.6611 2.6626 2.8131 2.8167 3.3887 3.3904 3.4840 3.4848 10.3657 10.3665 12.3671 12.3896 12.9951 13.0440 13.7892 13.8350 k = 0.0000 0.0000 0.6342 ( 8336 PWs) bands (ev): -38.5448 -38.5448 -15.1659 -15.1659 -14.3346 -14.3344 -13.4087 -13.4014 -13.3295 -13.3220 -4.3022 -4.3011 -3.2202 -3.2130 -1.1475 -1.1239 -0.8855 -0.8644 0.2764 0.2889 0.9301 0.9416 1.6970 1.7158 1.9400 1.9550 2.6697 2.6709 2.8245 2.8277 3.3958 3.3974 3.4920 3.4926 10.3774 10.3781 12.3582 12.3781 13.0092 13.0539 13.7746 13.8161 k = 0.0000 0.0000 0.6489 ( 8340 PWs) bands (ev): -38.5448 -38.5448 -15.1418 -15.1418 -14.3602 -14.3601 -13.4065 -13.3994 -13.3361 -13.3288 -4.2831 -4.2821 -3.2380 -3.2317 -1.1248 -1.1013 -0.8995 -0.8781 0.3048 0.3162 0.9039 0.9148 1.6964 1.7153 1.9138 1.9290 2.6774 2.6784 2.8349 2.8377 3.4019 3.4034 3.4990 3.4995 10.3871 10.3878 12.3510 12.3683 13.0218 13.0616 13.7623 13.7989 k = 0.0000 0.0000 0.6637 ( 8354 PWs) bands (ev): -38.5448 -38.5448 -15.1199 -15.1199 -14.3835 -14.3834 -13.4041 -13.3973 -13.3420 -13.3351 -4.2663 -4.2654 -3.2536 -3.2482 -1.1028 -1.0795 -0.9144 -0.8929 0.3331 0.3431 0.8777 0.8878 1.6998 1.7186 1.8879 1.9034 2.6841 2.6849 2.8441 2.8465 3.4070 3.4083 3.5050 3.5054 10.3949 10.3955 12.3455 12.3601 13.0329 13.0673 13.7523 13.7837 k = 0.0000 0.0000 0.6784 ( 8358 PWs) bands (ev): -38.5448 -38.5448 -15.1007 -15.1007 -14.4037 -14.4036 -13.4015 -13.3954 -13.3472 -13.3408 -4.2520 -4.2512 -3.2666 -3.2623 -1.0815 -1.0583 -0.9303 -0.9086 0.3602 0.3688 0.8528 0.8617 1.7069 1.7252 1.8627 1.8783 2.6897 2.6904 2.8520 2.8539 3.4112 3.4123 3.5100 3.5103 10.4011 10.4016 12.3416 12.3533 13.0427 13.0710 13.7447 13.7704 k = 0.0000 0.0000 0.6932 ( 8356 PWs) bands (ev): -38.5448 -38.5448 -15.0849 -15.0849 -14.4203 -14.4203 -13.3989 -13.3936 -13.3514 -13.3460 -4.2405 -4.2399 -3.2770 -3.2737 -1.0607 -1.0377 -0.9470 -0.9252 0.3847 0.3916 0.8304 0.8377 1.7171 1.7349 1.8385 1.8542 2.6942 2.6947 2.8583 2.8597 3.4145 3.4154 3.5139 3.5141 10.4058 10.4062 12.3390 12.3479 13.0512 13.0729 13.7396 13.7592 k = 0.0000 0.0000 0.7079 ( 8356 PWs) bands (ev): -38.5448 -38.5448 -15.0731 -15.0731 -14.4328 -14.4327 -13.3964 -13.3924 -13.3544 -13.3503 -4.2321 -4.2317 -3.2844 -3.2822 -1.0404 -1.0177 -0.9644 -0.9424 0.4049 0.4099 0.8125 0.8178 1.7301 1.7468 1.8163 1.8315 2.6975 2.6978 2.8630 2.8639 3.4169 3.4175 3.5168 3.5169 10.4091 10.4093 12.3377 12.3436 13.0583 13.0730 13.7369 13.7502 k = 0.0000 0.0000 0.7227 ( 8346 PWs) bands (ev): -38.5448 -38.5448 -15.0658 -15.0658 -14.4405 -14.4405 -13.3942 -13.3920 -13.3558 -13.3536 -4.2270 -4.2267 -3.2887 -3.2876 -1.0207 -0.9984 -0.9822 -0.9603 0.4189 0.4215 0.8012 0.8040 1.7448 1.7581 1.7986 1.8111 2.6995 2.6996 2.8659 2.8664 3.4184 3.4187 3.5185 3.5186 10.4110 10.4111 12.3375 12.3405 13.0641 13.0716 13.7367 13.7434 k = 0.0000 0.0000 0.7374 ( 8340 PWs) bands (ev): -38.5448 -38.5448 -15.0633 -15.0633 -14.4431 -14.4431 -13.3927 -13.3927 -13.3555 -13.3555 -4.2251 -4.2251 -3.2898 -3.2898 -1.0017 -1.0017 -0.9786 -0.9786 0.4247 0.4247 0.7982 0.7982 1.7580 1.7580 1.7963 1.7963 2.7002 2.7002 2.8670 2.8670 3.4190 3.4190 3.5191 3.5191 10.4117 10.4117 12.3385 12.3385 13.0686 13.0686 13.7389 13.7389 k = 0.0000 0.0000 0.7374 ( 8340 PWs) bands (ev): -38.5448 -38.5448 -15.0633 -15.0633 -14.4431 -14.4431 -13.3927 -13.3927 -13.3555 -13.3555 -4.2251 -4.2251 -3.2898 -3.2898 -1.0017 -1.0017 -0.9786 -0.9786 0.4247 0.4247 0.7982 0.7982 1.7580 1.7580 1.7963 1.7963 2.7002 2.7002 2.8670 2.8670 3.4190 3.4190 3.5191 3.5191 10.4117 10.4117 12.3385 12.3385 13.0686 13.0686 13.7389 13.7389 k =-0.0101 0.0110 0.7374 ( 8342 PWs) bands (ev): -38.5448 -38.5448 -15.0634 -15.0630 -14.4431 -14.4430 -13.3928 -13.3927 -13.3559 -13.3554 -4.2244 -4.2243 -3.2893 -3.2884 -1.0038 -1.0003 -0.9802 -0.9774 0.4233 0.4245 0.7982 0.7995 1.7547 1.7597 1.7925 1.7976 2.7015 2.7016 2.8659 2.8669 3.4187 3.4189 3.5192 3.5193 10.4121 10.4125 12.3353 12.3399 13.0652 13.0682 13.7374 13.7388 k =-0.0203 0.0220 0.7374 ( 8334 PWs) bands (ev): -38.5448 -38.5448 -15.0633 -15.0626 -14.4430 -14.4430 -13.3932 -13.3930 -13.3566 -13.3557 -4.2220 -4.2218 -3.2872 -3.2852 -1.0064 -0.9996 -0.9823 -0.9768 0.4204 0.4228 0.7994 0.8020 1.7495 1.7596 1.7863 1.7969 2.7053 2.7056 2.8634 2.8655 3.4182 3.4186 3.5194 3.5197 10.4137 10.4144 12.3303 12.3395 13.0582 13.0642 13.7343 13.7371 k =-0.0304 0.0329 0.7374 ( 8334 PWs) bands (ev): -38.5448 -38.5448 -15.0632 -15.0620 -14.4429 -14.4429 -13.3938 -13.3935 -13.3576 -13.3562 -4.2180 -4.2177 -3.2832 -3.2803 -1.0097 -0.9998 -0.9846 -0.9767 0.4160 0.4196 0.8018 0.8057 1.7416 1.7566 1.7794 1.7949 2.7116 2.7120 2.8597 2.8628 3.4173 3.4181 3.5199 3.5203 10.4166 10.4176 12.3233 12.3373 13.0477 13.0568 13.7295 13.7337 k =-0.0405 0.0439 0.7374 ( 8336 PWs) bands (ev): -38.5448 -38.5448 -15.0628 -15.0613 -14.4428 -14.4427 -13.3946 -13.3942 -13.3589 -13.3571 -4.2125 -4.2121 -3.2775 -3.2737 -1.0135 -1.0010 -0.9870 -0.9772 0.4104 0.4151 0.8053 0.8104 1.7305 1.7478 1.7746 1.7926 2.7199 2.7203 2.8548 2.8589 3.4163 3.4172 3.5206 3.5211 10.4205 10.4219 12.3143 12.3331 13.0338 13.0462 13.7228 13.7283 k =-0.0507 0.0549 0.7374 ( 8340 PWs) bands (ev): -38.5448 -38.5448 -15.0623 -15.0604 -14.4426 -14.4426 -13.3957 -13.3951 -13.3605 -13.3582 -4.2054 -4.2048 -3.2701 -3.2653 -1.0178 -1.0034 -0.9894 -0.9782 0.4037 0.4093 0.8099 0.8160 1.7159 1.7329 1.7727 1.7906 2.7298 2.7301 2.8489 2.8539 3.4150 3.4162 3.5216 3.5221 10.4257 10.4273 12.3031 12.3268 13.0170 13.0327 13.7140 13.7207 k =-0.0608 0.0659 0.7374 ( 8336 PWs) bands (ev): -38.5448 -38.5448 -15.0617 -15.0594 -14.4424 -14.4423 -13.3969 -13.3963 -13.3624 -13.3597 -4.1968 -4.1961 -3.2610 -3.2553 -1.0226 -1.0069 -0.9917 -0.9797 0.3961 0.4026 0.8153 0.8224 1.6980 1.7139 1.7722 1.7891 2.7407 2.7408 2.8422 2.8479 3.4136 3.4150 3.5227 3.5232 10.4319 10.4339 12.2895 12.3182 12.9975 13.0169 13.7029 13.7107 k =-0.0709 0.0769 0.7374 ( 8340 PWs) bands (ev): -38.5448 -38.5448 -15.0609 -15.0583 -14.4421 -14.4421 -13.3984 -13.3976 -13.3646 -13.3614 -4.1867 -4.1859 -3.2503 -3.2436 -1.0279 -1.0116 -0.9940 -0.9817 0.3878 0.3951 0.8214 0.8295 1.6772 1.6921 1.7722 1.7881 2.7514 2.7518 2.8349 2.8413 3.4120 3.4137 3.5240 3.5244 10.4392 10.4414 12.2734 12.3072 12.9760 12.9992 13.6891 13.6979 k =-0.0810 0.0879 0.7374 ( 8340 PWs) bands (ev): -38.5448 -38.5448 -15.0600 -15.0570 -14.4419 -14.4418 -13.4000 -13.3991 -13.3670 -13.3634 -4.1752 -4.1743 -3.2381 -3.2304 -1.0337 -1.0171 -0.9965 -0.9842 0.3790 0.3870 0.8281 0.8371 1.6541 1.6681 1.7724 1.7876 2.7608 2.7621 2.8279 2.8347 3.4105 3.4123 3.5254 3.5258 10.4474 10.4500 12.2544 12.2934 12.9529 12.9800 13.6723 13.6819 k =-0.0912 0.0988 0.7374 ( 8344 PWs) bands (ev): -38.5448 -38.5448 -15.0589 -15.0556 -14.4416 -14.4415 -13.4018 -13.4008 -13.3697 -13.3657 -4.1624 -4.1614 -3.2244 -3.2158 -1.0399 -1.0233 -0.9993 -0.9872 0.3699 0.3785 0.8354 0.8451 1.6291 1.6424 1.7727 1.7873 2.7672 2.7701 2.8224 2.8290 3.4090 3.4111 3.5269 3.5273 10.4567 10.4595 12.2326 12.2766 12.9288 12.9599 13.6524 13.6625 k =-0.1013 0.1098 0.7374 ( 8344 PWs) bands (ev): -38.5448 -38.5448 -15.0577 -15.0541 -14.4412 -14.4412 -13.4038 -13.4027 -13.3725 -13.3682 -4.1483 -4.1472 -3.2093 -3.1997 -1.0465 -1.0301 -1.0025 -0.9905 0.3608 0.3699 0.8431 0.8534 1.6027 1.6154 1.7732 1.7874 2.7682 2.7733 2.8205 2.8263 3.4077 3.4101 3.5284 3.5289 10.4668 10.4699 12.2078 12.2567 12.9043 12.9394 13.6289 13.6393 k =-0.1114 0.1208 0.7374 ( 8332 PWs) bands (ev): -38.5448 -38.5448 -15.0564 -15.0525 -14.4409 -14.4408 -13.4060 -13.4047 -13.3756 -13.3709 -4.1330 -4.1318 -3.1928 -3.1823 -1.0535 -1.0373 -1.0061 -0.9943 0.3517 0.3614 0.8510 0.8620 1.5753 1.5876 1.7737 1.7876 2.7630 2.7702 2.8227 2.8274 3.4068 3.4094 3.5299 3.5306 10.4777 10.4811 12.1800 12.2335 12.8798 12.9188 13.6017 13.6123 k =-0.1216 0.1318 0.7374 ( 8334 PWs) bands (ev): -38.5448 -38.5448 -15.0550 -15.0508 -14.4405 -14.4404 -13.4083 -13.4069 -13.3789 -13.3739 -4.1165 -4.1153 -3.1752 -3.1637 -1.0608 -1.0450 -1.0101 -0.9983 0.3429 0.3530 0.8593 0.8708 1.5472 1.5592 1.7743 1.7879 2.7531 2.7617 2.8272 2.8310 3.4063 3.4091 3.5314 3.5324 10.4894 10.4930 12.1493 12.2071 12.8558 12.8984 13.5707 13.5812 k =-0.1317 0.1428 0.7374 ( 8330 PWs) bands (ev): -38.5448 -38.5448 -15.0535 -15.0490 -14.4401 -14.4400 -13.4107 -13.4092 -13.3824 -13.3771 -4.0991 -4.0978 -3.1564 -3.1440 -1.0684 -1.0530 -1.0145 -1.0026 0.3346 0.3451 0.8677 0.8797 1.5188 1.5306 1.7750 1.7884 2.7403 2.7497 2.8317 2.8347 3.4065 3.4095 3.5330 3.5341 10.5017 10.5056 12.1160 12.1774 12.8325 12.8784 13.5359 13.5460 k =-0.1418 0.1538 0.7374 ( 8330 PWs) bands (ev): -38.5448 -38.5448 -15.0519 -15.0471 -14.4396 -14.4396 -13.4133 -13.4116 -13.3859 -13.3804 -4.0808 -4.0794 -3.1366 -3.1233 -1.0761 -1.0613 -1.0193 -1.0072 0.3269 0.3377 0.8763 0.8888 1.4903 1.5018 1.7758 1.7889 2.7255 2.7357 2.8347 2.8371 3.4074 3.4107 3.5344 3.5359 10.5146 10.5187 12.0802 12.1448 12.8102 12.8590 13.4973 13.5068 k =-0.1520 0.1647 0.7374 ( 8324 PWs) bands (ev): -38.5448 -38.5448 -15.0503 -15.0452 -14.4392 -14.4391 -13.4160 -13.4141 -13.3896 -13.3839 -4.0616 -4.0602 -3.1159 -3.1017 -1.0840 -1.0697 -1.0245 -1.0120 0.3200 0.3311 0.8850 0.8980 1.4619 1.4733 1.7766 1.7895 2.7094 2.7200 2.8354 2.8373 3.4092 3.4127 3.5359 3.5377 10.5281 10.5324 12.0423 12.1096 12.7889 12.8402 13.4551 13.4639 k =-0.1621 0.1757 0.7374 ( 8316 PWs) bands (ev): -38.5448 -38.5448 -15.0485 -15.0432 -14.4387 -14.4387 -13.4187 -13.4168 -13.3935 -13.3875 -4.0418 -4.0403 -3.0945 -3.0794 -1.0919 -1.0781 -1.0299 -1.0170 0.3140 0.3253 0.8939 0.9072 1.4339 1.4451 1.7775 1.7901 2.6921 2.7031 2.8334 2.8349 3.4119 3.4156 3.5373 3.5394 10.5420 10.5464 12.0028 12.0722 12.7685 12.8219 13.4095 13.4174 k =-0.1722 0.1867 0.7374 ( 8320 PWs) bands (ev): -38.5448 -38.5448 -15.0467 -15.0411 -14.4383 -14.4382 -13.4216 -13.4194 -13.3973 -13.3912 -4.0214 -4.0198 -3.0725 -3.0565 -1.0998 -1.0865 -1.0356 -1.0222 0.3090 0.3206 0.9029 0.9166 1.4064 1.4174 1.7784 1.7907 2.6738 2.6851 2.8283 2.8293 3.4155 3.4195 3.5387 3.5411 10.5562 10.5608 11.9622 12.0330 12.7489 12.8039 13.3607 13.3678 k =-0.1824 0.1977 0.7374 ( 8314 PWs) bands (ev): -38.5448 -38.5448 -15.0448 -15.0391 -14.4378 -14.4377 -13.4245 -13.4222 -13.4013 -13.3951 -4.0006 -3.9989 -3.0500 -3.0331 -1.1076 -1.0948 -1.0415 -1.0274 0.3053 0.3171 0.9121 0.9260 1.3795 1.3904 1.7794 1.7913 2.6545 2.6661 2.8200 2.8206 3.4201 3.4242 3.5400 3.5427 10.5708 10.5755 11.9207 11.9927 12.7299 12.7862 13.3092 13.3153 k =-0.1925 0.2087 0.7374 ( 8314 PWs) bands (ev): -38.5448 -38.5448 -15.0429 -15.0370 -14.4374 -14.4373 -13.4275 -13.4250 -13.4053 -13.3990 -3.9794 -3.9777 -3.0271 -3.0094 -1.1151 -1.1028 -1.0475 -1.0328 0.3029 0.3149 0.9215 0.9357 1.3534 1.3641 1.7804 1.7919 2.6344 2.6461 2.8082 2.8086 3.4256 3.4298 3.5413 3.5442 10.5856 10.5905 11.8790 11.9516 12.7112 12.7685 13.2553 13.2604 k =-0.2026 0.2196 0.7374 ( 8330 PWs) bands (ev): -38.5448 -38.5448 -15.0410 -15.0349 -14.4369 -14.4368 -13.4306 -13.4279 -13.4092 -13.4030 -3.9580 -3.9563 -3.0040 -2.9855 -1.1224 -1.1106 -1.0535 -1.0381 0.3020 0.3141 0.9311 0.9454 1.3281 1.3387 1.7814 1.7925 2.6134 2.6253 2.7930 2.7933 3.4319 3.4362 3.5426 3.5458 10.6007 10.6056 11.8374 11.9103 12.6926 12.7507 13.1994 13.2035 k =-0.2128 0.2306 0.7374 ( 8328 PWs) bands (ev): -38.5448 -38.5448 -15.0390 -15.0328 -14.4365 -14.4363 -13.4336 -13.4307 -13.4132 -13.4070 -3.9366 -3.9348 -2.9809 -2.9616 -1.1293 -1.1179 -1.0595 -1.0435 0.3026 0.3149 0.9409 0.9554 1.3038 1.3142 1.7825 1.7929 2.5916 2.6037 2.7743 2.7750 3.4388 3.4431 3.5438 3.5472 10.6159 10.6209 11.7964 11.8693 12.6738 12.7325 13.1418 13.1451 k =-0.2128 0.2306 0.7374 ( 8328 PWs) bands (ev): -38.5448 -38.5448 -15.0390 -15.0328 -14.4365 -14.4363 -13.4336 -13.4307 -13.4132 -13.4070 -3.9366 -3.9348 -2.9809 -2.9616 -1.1293 -1.1179 -1.0595 -1.0435 0.3026 0.3149 0.9409 0.9554 1.3038 1.3142 1.7825 1.7929 2.5916 2.6037 2.7743 2.7750 3.4388 3.4431 3.5438 3.5472 10.6159 10.6209 11.7964 11.8693 12.6738 12.7325 13.1418 13.1451 k =-0.2196 0.2380 0.7273 ( 8327 PWs) bands (ev): -38.5448 -38.5448 -15.0384 -15.0322 -14.4352 -14.4351 -13.4379 -13.4356 -13.4136 -13.4067 -3.9210 -3.9191 -2.9680 -2.9486 -1.1394 -1.1213 -1.0623 -1.0466 0.3187 0.3313 0.9299 0.9449 1.2951 1.3047 1.7799 1.7902 2.5713 2.5837 2.7699 2.7709 3.4483 3.4530 3.5365 3.5399 10.6190 10.6239 11.7769 11.8496 12.6731 12.7317 13.0949 13.0990 k =-0.2264 0.2455 0.7172 ( 8321 PWs) bands (ev): -38.5448 -38.5448 -15.0392 -15.0329 -14.4327 -14.4326 -13.4425 -13.4404 -13.4135 -13.4061 -3.9071 -3.9051 -2.9534 -2.9339 -1.1518 -1.1286 -1.0632 -1.0465 0.3345 0.3472 0.9172 0.9326 1.2901 1.2990 1.7786 1.7888 2.5502 2.5628 2.7638 2.7652 3.4573 3.4625 3.5292 3.5326 10.6215 10.6263 11.7583 11.8303 12.6740 12.7325 13.0476 13.0525 k =-0.2333 0.2529 0.7071 ( 8321 PWs) bands (ev): -38.5448 -38.5448 -15.0411 -15.0348 -14.4291 -14.4290 -13.4472 -13.4453 -13.4129 -13.4051 -3.8951 -3.8929 -2.9372 -2.9176 -1.1659 -1.1392 -1.0621 -1.0443 0.3498 0.3627 0.9025 0.9184 1.2892 1.2973 1.7787 1.7886 2.5282 2.5411 2.7560 2.7579 3.4651 3.4710 3.5228 3.5262 10.6237 10.6283 11.7404 11.8115 12.6763 12.7347 13.0005 13.0059 k =-0.2401 0.2603 0.6971 ( 8319 PWs) bands (ev): -38.5448 -38.5448 -15.0439 -15.0377 -14.4246 -14.4244 -13.4517 -13.4500 -13.4121 -13.4040 -3.8848 -3.8826 -2.9194 -2.8997 -1.1813 -1.1524 -1.0594 -1.0409 0.3647 0.3777 0.8858 0.9020 1.2923 1.2997 1.7798 1.7897 2.5057 2.5189 2.7467 2.7491 3.4707 3.4773 3.5182 3.5218 10.6256 10.6300 11.7232 11.7932 12.6794 12.7378 12.9541 12.9598 k =-0.2470 0.2677 0.6870 ( 8314 PWs) bands (ev): -38.5448 -38.5448 -15.0475 -15.0413 -14.4194 -14.4192 -13.4561 -13.4546 -13.4110 -13.4028 -3.8762 -3.8739 -2.9002 -2.8804 -1.1976 -1.1674 -1.0556 -1.0366 0.3790 0.3923 0.8672 0.8835 1.2994 1.3062 1.7820 1.7917 2.4826 2.4962 2.7360 2.7388 3.4725 3.4794 3.5175 3.5210 10.6274 10.6316 11.7067 11.7754 12.6827 12.7414 12.9092 12.9150 k =-0.2538 0.2751 0.6769 ( 8304 PWs) bands (ev): -38.5448 -38.5448 -15.0516 -15.0455 -14.4138 -14.4134 -13.4602 -13.4589 -13.4098 -13.4015 -3.8693 -3.8669 -2.8796 -2.8597 -1.2147 -1.1837 -1.0511 -1.0317 0.3929 0.4063 0.8469 0.8633 1.3104 1.3167 1.7850 1.7946 2.4592 2.4732 2.7239 2.7272 3.4700 3.4765 3.5214 3.5246 10.6291 10.6332 11.6908 11.7581 12.6850 12.7445 12.8665 12.8736 k =-0.2606 0.2825 0.6668 ( 8306 PWs) bands (ev): -38.5448 -38.5448 -15.0562 -15.0502 -14.4078 -14.4073 -13.4641 -13.4631 -13.4086 -13.4001 -3.8639 -3.8614 -2.8578 -2.8379 -1.2324 -1.2009 -1.0460 -1.0264 0.4062 0.4198 0.8252 0.8415 1.3249 1.3308 1.7886 1.7981 2.4356 2.4500 2.7107 2.7143 3.4644 3.4703 3.5284 3.5312 10.6310 10.6349 11.6753 11.7411 12.6838 12.7450 12.8267 12.8393 k =-0.2675 0.2899 0.6567 ( 8313 PWs) bands (ev): -38.5448 -38.5448 -15.0610 -15.0552 -14.4016 -14.4010 -13.4678 -13.4668 -13.4072 -13.3987 -3.8599 -3.8574 -2.8351 -2.8152 -1.2505 -1.2188 -1.0407 -1.0208 0.4190 0.4327 0.8023 0.8184 1.3427 1.3483 1.7927 1.8020 2.4120 2.4269 2.6964 2.7004 3.4573 3.4626 3.5367 3.5394 10.6330 10.6368 11.6602 11.7245 12.6753 12.7379 12.7941 12.8172 k =-0.2743 0.2973 0.6466 ( 8315 PWs) bands (ev): -38.5448 -38.5448 -15.0660 -15.0602 -14.3955 -14.3948 -13.4714 -13.4703 -13.4058 -13.3973 -3.8572 -3.8546 -2.8118 -2.7917 -1.2690 -1.2372 -1.0351 -1.0149 0.4312 0.4451 0.7788 0.7946 1.3633 1.3689 1.7969 1.8061 2.3885 2.4040 2.6813 2.6854 3.4496 3.4544 3.5455 3.5482 10.6354 10.6391 11.6453 11.7082 12.6566 12.7164 12.7771 12.8089 k =-0.2811 0.3048 0.6365 ( 8316 PWs) bands (ev): -38.5448 -38.5448 -15.0710 -15.0653 -14.3894 -14.3886 -13.4747 -13.4733 -13.4045 -13.3959 -3.8556 -3.8529 -2.7880 -2.7679 -1.2875 -1.2559 -1.0294 -1.0089 0.4427 0.4569 0.7549 0.7703 1.3866 1.3922 1.8010 1.8100 2.3655 2.3816 2.6653 2.6696 3.4416 3.4462 3.5544 3.5572 10.6381 10.6418 11.6306 11.6921 12.6295 12.6849 12.7743 12.8096 k =-0.2880 0.3122 0.6265 ( 8318 PWs) bands (ev): -38.5448 -38.5448 -15.0758 -15.0703 -14.3836 -14.3827 -13.4778 -13.4761 -13.4031 -13.3946 -3.8549 -3.8521 -2.7642 -2.7440 -1.3058 -1.2746 -1.0236 -1.0028 0.4534 0.4678 0.7312 0.7461 1.4120 1.4179 1.8047 1.8134 2.3431 2.3599 2.6488 2.6532 3.4338 3.4380 3.5632 3.5661 10.6414 10.6451 11.6158 11.6763 12.5986 12.6516 12.7781 12.8146 k =-0.2948 0.3196 0.6164 ( 8320 PWs) bands (ev): -38.5449 -38.5449 -15.0804 -15.0750 -14.3781 -14.3771 -13.4806 -13.4785 -13.4018 -13.3933 -3.8550 -3.8522 -2.7406 -2.7204 -1.3238 -1.2930 -1.0180 -0.9968 0.4629 0.4777 0.7083 0.7225 1.4395 1.4456 1.8076 1.8160 2.3216 2.3391 2.6319 2.6362 3.4263 3.4303 3.5718 3.5748 10.6452 10.6489 11.6010 11.6606 12.5671 12.6194 12.7848 12.8214 k =-0.3017 0.3270 0.6063 ( 8318 PWs) bands (ev): -38.5449 -38.5449 -15.0848 -15.0794 -14.3730 -14.3719 -13.4831 -13.4805 -13.4006 -13.3922 -3.8557 -3.8528 -2.7176 -2.6973 -1.3412 -1.3110 -1.0124 -0.9908 0.4707 0.4859 0.6870 0.7003 1.4685 1.4752 1.8093 1.8174 2.3014 2.3197 2.6149 2.6189 3.4192 3.4230 3.5800 3.5831 10.6497 10.6534 11.5861 11.6450 12.5368 12.5895 12.7927 12.8290 k =-0.3085 0.3344 0.5962 ( 8311 PWs) bands (ev): -38.5449 -38.5449 -15.0888 -15.0835 -14.3683 -14.3673 -13.4853 -13.4823 -13.3995 -13.3912 -3.8568 -3.8540 -2.6955 -2.6752 -1.3577 -1.3283 -1.0072 -0.9851 0.4760 0.4918 0.6685 0.6805 1.4989 1.5062 1.8094 1.8171 2.2827 2.3020 2.5978 2.6015 3.4127 3.4163 3.5879 3.5911 10.6549 10.6586 11.5711 11.6296 12.5086 12.5624 12.8012 12.8368 k =-0.3153 0.3418 0.5861 ( 8313 PWs) bands (ev): -38.5449 -38.5449 -15.0923 -15.0872 -14.3643 -14.3631 -13.4871 -13.4837 -13.3985 -13.3903 -3.8583 -3.8555 -2.6747 -2.6545 -1.3729 -1.3445 -1.0022 -0.9797 0.4777 0.4942 0.6541 0.6646 1.5303 1.5383 1.8074 1.8148 2.2660 2.2862 2.5809 2.5842 3.4069 3.4102 3.5953 3.5986 10.6607 10.6645 11.5559 11.6142 12.4829 12.5381 12.8098 12.8446 k =-0.3222 0.3492 0.5760 ( 8307 PWs) bands (ev): -38.5449 -38.5449 -15.0954 -15.0903 -14.3607 -14.3596 -13.4887 -13.4848 -13.3977 -13.3896 -3.8601 -3.8573 -2.6556 -2.6354 -1.3866 -1.3595 -0.9977 -0.9746 0.4747 0.4918 0.6451 0.6540 1.5625 1.5712 1.8031 1.8100 2.2516 2.2727 2.5645 2.5673 3.4017 3.4049 3.6022 3.6056 10.6673 10.6710 11.5407 11.5991 12.4601 12.5169 12.8182 12.8520 k =-0.3290 0.3567 0.5659 ( 8313 PWs) bands (ev): -38.5449 -38.5449 -15.0980 -15.0929 -14.3579 -14.3567 -13.4899 -13.4856 -13.3970 -13.3890 -3.8619 -3.8591 -2.6386 -2.6184 -1.3985 -1.3727 -0.9936 -0.9700 0.4664 0.4839 0.6422 0.6497 1.5951 1.6044 1.7962 1.8024 2.2396 2.2618 2.5488 2.5509 3.3973 3.4003 3.6086 3.6121 10.6745 10.6782 11.5256 11.5843 12.4405 12.4988 12.8263 12.8591 k =-0.3359 0.3641 0.5558 ( 8318 PWs) bands (ev): -38.5449 -38.5449 -15.1000 -15.0950 -14.3556 -14.3544 -13.4908 -13.4860 -13.3966 -13.3887 -3.8637 -3.8610 -2.6240 -2.6038 -1.4083 -1.3841 -0.9901 -0.9660 0.4535 0.4710 0.6451 0.6516 1.6276 1.6375 1.7866 1.7920 2.2303 2.2535 2.5341 2.5354 3.3937 3.3965 3.6143 3.6179 10.6824 10.6859 11.5107 11.5699 12.4240 12.4838 12.8340 12.8657 k =-0.3427 0.3715 0.5458 ( 8313 PWs) bands (ev): -38.5449 -38.5449 -15.1015 -15.0965 -14.3541 -14.3528 -13.4914 -13.4862 -13.3963 -13.3886 -3.8655 -3.8629 -2.6122 -2.5920 -1.4157 -1.3932 -0.9872 -0.9625 0.4370 0.4545 0.6526 0.6586 1.6595 1.6695 1.7747 1.7787 2.2238 2.2480 2.5207 2.5212 3.3908 3.3935 3.6195 3.6232 10.6908 10.6941 11.4963 11.5562 12.4106 12.4718 12.8413 12.8719 k =-0.3495 0.3789 0.5357 ( 8315 PWs) bands (ev): -38.5449 -38.5449 -15.1023 -15.0973 -14.3532 -14.3520 -13.4916 -13.4860 -13.3962 -13.3887 -3.8672 -3.8646 -2.6034 -2.5832 -1.4204 -1.3999 -0.9850 -0.9598 0.4185 0.4357 0.6635 0.6693 1.6895 1.6983 1.7625 1.7633 2.2201 2.2453 2.5082 2.5091 3.3888 3.3914 3.6240 3.6278 10.6996 10.7025 11.4826 11.5432 12.4003 12.4628 12.8481 12.8776 k =-0.3564 0.3863 0.5256 ( 8312 PWs) bands (ev): -38.5449 -38.5449 -15.1026 -15.0976 -14.3530 -14.3518 -13.4915 -13.4854 -13.3964 -13.3891 -3.8687 -3.8662 -2.5979 -2.5777 -1.4224 -1.4039 -0.9835 -0.9577 0.3990 0.4158 0.6770 0.6827 1.7105 1.7163 1.7503 1.7597 2.2191 2.2452 2.4973 2.4992 3.3875 3.3901 3.6278 3.6317 10.7087 10.7111 11.4699 11.5314 12.3931 12.4565 12.8545 12.8828 k =-0.3564 0.3863 0.5256 ( 8312 PWs) bands (ev): -38.5449 -38.5449 -15.1026 -15.0976 -14.3530 -14.3518 -13.4915 -13.4854 -13.3964 -13.3891 -3.8687 -3.8662 -2.5979 -2.5777 -1.4224 -1.4039 -0.9835 -0.9577 0.3990 0.4158 0.6770 0.6827 1.7105 1.7163 1.7503 1.7597 2.2191 2.2452 2.4973 2.4992 3.3875 3.3901 3.6278 3.6317 10.7087 10.7111 11.4699 11.5314 12.3931 12.4565 12.8545 12.8828 k =-0.3492 0.3786 0.5151 ( 8314 PWs) bands (ev): -38.5449 -38.5449 -15.1181 -15.1133 -14.3392 -14.3378 -13.4908 -13.4846 -13.3884 -13.3808 -3.8996 -3.8969 -2.5862 -2.5659 -1.4501 -1.4309 -0.9757 -0.9497 0.3733 0.3905 0.6701 0.6758 1.7417 1.7462 1.7696 1.7769 2.2234 2.2494 2.5344 2.5364 3.3711 3.3736 3.6285 3.6324 10.6839 10.6865 11.4937 11.5557 12.4306 12.4953 12.9151 12.9431 k =-0.3421 0.3709 0.5046 ( 8316 PWs) bands (ev): -38.5449 -38.5449 -15.1349 -15.1302 -14.3242 -14.3225 -13.4898 -13.4836 -13.3801 -13.3722 -3.9318 -3.9291 -2.5740 -2.5537 -1.4781 -1.4584 -0.9681 -0.9419 0.3492 0.3668 0.6657 0.6715 1.7712 1.7764 1.7917 1.7952 2.2266 2.2525 2.5687 2.5707 3.3542 3.3567 3.6287 3.6326 10.6586 10.6614 11.5201 11.5827 12.4685 12.5345 12.9750 13.0028 k =-0.3350 0.3631 0.4941 ( 8304 PWs) bands (ev): -38.5449 -38.5449 -15.1528 -15.1482 -14.3079 -14.3060 -13.4887 -13.4824 -13.3715 -13.3635 -3.9653 -3.9625 -2.5615 -2.5412 -1.5065 -1.4862 -0.9607 -0.9344 0.3268 0.3447 0.6641 0.6700 1.7945 1.8079 1.8124 1.8218 2.2289 2.2544 2.6001 2.6020 3.3371 3.3395 3.6282 3.6320 10.6328 10.6357 11.5492 11.6123 12.5066 12.5738 13.0342 13.0616 k =-0.3279 0.3554 0.4835 ( 8292 PWs) bands (ev): -38.5448 -38.5448 -15.1719 -15.1674 -14.2905 -14.2884 -13.4872 -13.4810 -13.3627 -13.3544 -3.9999 -3.9970 -2.5489 -2.5286 -1.5352 -1.5143 -0.9535 -0.9272 0.3058 0.3240 0.6655 0.6714 1.8145 1.8284 1.8438 1.8538 2.2300 2.2553 2.6283 2.6301 3.3198 3.3221 3.6271 3.6309 10.6063 10.6093 11.5810 11.6446 12.5446 12.6129 13.0923 13.1193 k =-0.3207 0.3477 0.4730 ( 8298 PWs) bands (ev): -38.5449 -38.5449 -15.1919 -15.1877 -14.2719 -14.2696 -13.4856 -13.4793 -13.3537 -13.3452 -4.0354 -4.0325 -2.5362 -2.5161 -1.5640 -1.5426 -0.9467 -0.9203 0.2862 0.3048 0.6700 0.6759 1.8335 1.8463 1.8786 1.8878 2.2301 2.2550 2.6534 2.6550 3.3023 3.3045 3.6254 3.6290 10.5790 10.5821 11.6154 11.6796 12.5823 12.6515 13.1491 13.1757 k =-0.3136 0.3400 0.4625 ( 8290 PWs) bands (ev): -38.5448 -38.5448 -15.2129 -15.2088 -14.2523 -14.2497 -13.4837 -13.4774 -13.3444 -13.3358 -4.0717 -4.0688 -2.5236 -2.5036 -1.5928 -1.5709 -0.9402 -0.9138 0.2680 0.2868 0.6776 0.6836 1.8520 1.8641 1.9141 1.9227 2.2292 2.2536 2.6752 2.6765 3.2848 3.2868 3.6231 3.6266 10.5510 10.5542 11.6524 11.7172 12.6192 12.6893 13.2043 13.2306 k =-0.3065 0.3322 0.4520 ( 8292 PWs) bands (ev): -38.5449 -38.5449 -15.2347 -15.2309 -14.2316 -14.2288 -13.4817 -13.4754 -13.3350 -13.3263 -4.1085 -4.1057 -2.5112 -2.4914 -1.6216 -1.5993 -0.9341 -0.9078 0.2511 0.2701 0.6884 0.6944 1.8704 1.8819 1.9501 1.9584 2.2272 2.2512 2.6936 2.6947 3.2673 3.2691 3.6201 3.6235 10.5221 10.5252 11.6920 11.7573 12.6551 12.7260 13.2578 13.2838 k =-0.2994 0.3245 0.4415 ( 8290 PWs) bands (ev): -38.5449 -38.5449 -15.2573 -15.2537 -14.2100 -14.2069 -13.4794 -13.4731 -13.3254 -13.3166 -4.1459 -4.1431 -2.4991 -2.4796 -1.6504 -1.6276 -0.9284 -0.9022 0.2354 0.2547 0.7024 0.7084 1.8884 1.8995 1.9866 1.9946 2.2244 2.2477 2.7087 2.7096 3.2499 3.2515 3.6165 3.6197 10.4921 10.4953 11.7339 11.7998 12.6896 12.7611 13.3094 13.3353 k =-0.2922 0.3168 0.4310 ( 8294 PWs) bands (ev): -38.5449 -38.5449 -15.2806 -15.2771 -14.1875 -14.1842 -13.4769 -13.4706 -13.3157 -13.3068 -4.1836 -4.1808 -2.4874 -2.4681 -1.6789 -1.6558 -0.9232 -0.8971 0.2210 0.2404 0.7195 0.7255 1.9063 1.9169 2.0234 2.0311 2.2207 2.2434 2.7203 2.7213 3.2328 3.2341 3.6123 3.6153 10.4611 10.4643 11.7780 11.8446 12.7222 12.7942 13.3590 13.3848 k =-0.2851 0.3091 0.4205 ( 8294 PWs) bands (ev): -38.5449 -38.5449 -15.3045 -15.3012 -14.1642 -14.1607 -13.4743 -13.4680 -13.3058 -13.2968 -4.2216 -4.2188 -2.4761 -2.4571 -1.7072 -1.6837 -0.9186 -0.8925 0.2078 0.2273 0.7395 0.7456 1.9237 1.9339 2.0602 2.0680 2.2164 2.2384 2.7286 2.7301 3.2159 3.2169 3.6074 3.6101 10.4290 10.4321 11.8242 11.8915 12.7524 12.8247 13.4065 13.4323 k =-0.2780 0.3013 0.4100 ( 8306 PWs) bands (ev): -38.5449 -38.5449 -15.3288 -15.3258 -14.1401 -14.1364 -13.4714 -13.4652 -13.2959 -13.2868 -4.2596 -4.2569 -2.4652 -2.4465 -1.7352 -1.7114 -0.9144 -0.8885 0.1957 0.2154 0.7624 0.7685 1.9407 1.9504 2.0969 2.1048 2.2118 2.2329 2.7338 2.7360 3.1994 3.2001 3.6018 3.6043 10.3955 10.3986 11.8722 11.9403 12.7798 12.8523 13.4519 13.4780 k =-0.2708 0.2936 0.3994 ( 8316 PWs) bands (ev): -38.5449 -38.5449 -15.3536 -15.3507 -14.1154 -14.1115 -13.4684 -13.4623 -13.2858 -13.2767 -4.2976 -4.2950 -2.4548 -2.4365 -1.7628 -1.7387 -0.9110 -0.8851 0.1848 0.2045 0.7879 0.7939 1.9570 1.9663 2.1327 2.1411 2.2078 2.2273 2.7363 2.7392 3.1832 3.1837 3.5954 3.5977 10.3608 10.3638 11.9217 11.9907 12.8039 12.8762 13.4952 13.5217 k =-0.2637 0.2859 0.3889 ( 8320 PWs) bands (ev): -38.5449 -38.5449 -15.3787 -15.3760 -14.0901 -14.0860 -13.4653 -13.4592 -13.2757 -13.2666 -4.3355 -4.3330 -2.4449 -2.4269 -1.7899 -1.7656 -0.9081 -0.8824 0.1750 0.1948 0.8158 0.8217 1.9727 1.9815 2.1643 2.1755 2.2076 2.2233 2.7363 2.7400 3.1673 3.1679 3.5883 3.5904 10.3247 10.3276 11.9724 12.0425 12.8242 12.8961 13.5365 13.5637 k =-0.2566 0.2781 0.3784 ( 8312 PWs) bands (ev): -38.5449 -38.5449 -15.4040 -15.4016 -14.0643 -14.0600 -13.4620 -13.4561 -13.2656 -13.2565 -4.3732 -4.3708 -2.4353 -2.4178 -1.8166 -1.7920 -0.9060 -0.8804 0.1664 0.1862 0.8457 0.8516 1.9874 1.9957 2.1792 2.1985 2.2230 2.2310 2.7342 2.7388 3.1518 3.1526 3.5803 3.5822 10.2871 10.2898 12.0239 12.0951 12.8403 12.9115 13.5760 13.6041 k =-0.2495 0.2704 0.3679 ( 8318 PWs) bands (ev): -38.5449 -38.5449 -15.4295 -15.4272 -14.0380 -14.0336 -13.4587 -13.4528 -13.2554 -13.2463 -4.4106 -4.4082 -2.4262 -2.4091 -1.8426 -1.8178 -0.9046 -0.8791 0.1588 0.1786 0.8773 0.8831 2.0012 2.0089 2.1784 2.1992 2.2538 2.2608 2.7305 2.7360 3.1367 3.1378 3.5714 3.5731 10.2479 10.2506 12.0756 12.1482 12.8520 12.9220 13.6138 13.6430 k =-0.2423 0.2627 0.3574 ( 8318 PWs) bands (ev): -38.5449 -38.5449 -15.4551 -15.4530 -14.0113 -14.0068 -13.4552 -13.4494 -13.2452 -13.2362 -4.4475 -4.4453 -2.4175 -2.4008 -1.8680 -1.8431 -0.9040 -0.8786 0.1523 0.1721 0.9101 0.9158 2.0139 2.0210 2.1741 2.1942 2.2884 2.2956 2.7257 2.7323 3.1220 3.1235 3.5616 3.5631 10.2073 10.2098 12.1269 12.2010 12.8591 12.9277 13.6502 13.6806 k =-0.2352 0.2550 0.3469 ( 8318 PWs) bands (ev): -38.5449 -38.5449 -15.4807 -15.4788 -13.9843 -13.9797 -13.4516 -13.4459 -13.2351 -13.2261 -4.4840 -4.4818 -2.4091 -2.3928 -1.8927 -1.8676 -0.9042 -0.8789 0.1470 0.1667 0.9438 0.9494 2.0256 2.0318 2.1693 2.1885 2.3232 2.3308 2.7205 2.7281 3.1079 3.1097 3.5508 3.5522 10.1650 10.1674 12.1768 12.2528 12.8619 12.9287 13.6852 13.7170 k =-0.2281 0.2472 0.3364 ( 8314 PWs) bands (ev): -38.5449 -38.5449 -15.5062 -15.5044 -13.9571 -13.9524 -13.4480 -13.4424 -13.2250 -13.2161 -4.5199 -4.5179 -2.4009 -2.3852 -1.9166 -1.8915 -0.9053 -0.8802 0.1426 0.1622 0.9778 0.9833 2.0362 2.0416 2.1646 2.1828 2.3573 2.3654 2.7154 2.7241 3.0942 3.0963 3.5391 3.5403 10.1211 10.1233 12.2242 12.3021 12.8612 12.9259 13.7189 13.7521 k =-0.2210 0.2395 0.3259 ( 8318 PWs) bands (ev): -38.5449 -38.5449 -15.5316 -15.5300 -13.9297 -13.9249 -13.4443 -13.4389 -13.2149 -13.2062 -4.5552 -4.5532 -2.3930 -2.3777 -1.9398 -1.9146 -0.9074 -0.8823 0.1394 0.1588 1.0116 1.0170 2.0459 2.0505 2.1602 2.1774 2.3903 2.3989 2.7112 2.7211 3.0810 3.0834 3.5263 3.5274 10.0756 10.0777 12.2674 12.3473 12.8585 12.9208 13.7515 13.7861 k =-0.2138 0.2318 0.3154 ( 8310 PWs) bands (ev): -38.5449 -38.5449 -15.5568 -15.5553 -13.9022 -13.8974 -13.4406 -13.4353 -13.2050 -13.1963 -4.5897 -4.5879 -2.3852 -2.3705 -1.9621 -1.9369 -0.9104 -0.8854 0.1371 0.1564 1.0445 1.0498 2.0552 2.0589 2.1561 2.1723 2.4216 2.4309 2.7087 2.7196 3.0684 3.0710 3.5125 3.5136 10.0286 10.0305 12.3044 12.3857 12.8563 12.9157 13.7828 13.8188 k =-0.2067 0.2241 0.3048 ( 8306 PWs) bands (ev): -38.5449 -38.5449 -15.5818 -15.5804 -13.8747 -13.8698 -13.4369 -13.4317 -13.1951 -13.1866 -4.6235 -4.6218 -2.3776 -2.3634 -1.9835 -1.9583 -0.9144 -0.8896 0.1358 0.1549 1.0760 1.0812 2.0644 2.0675 2.1521 2.1673 2.4509 2.4608 2.7086 2.7205 3.0564 3.0591 3.4977 3.4988 9.9800 9.9818 12.3325 12.4138 12.8581 12.9135 13.8129 13.8500 k =-0.1996 0.2163 0.2943 ( 8314 PWs) bands (ev): -38.5449 -38.5449 -15.6064 -15.6052 -13.8473 -13.8423 -13.4332 -13.4281 -13.1854 -13.1770 -4.6565 -4.6550 -2.3701 -2.3564 -2.0040 -1.9789 -0.9195 -0.8947 0.1355 0.1544 1.1054 1.1105 2.0739 2.0767 2.1480 2.1623 2.4778 2.4880 2.7117 2.7244 3.0450 3.0478 3.4820 3.4830 9.9299 9.9315 12.3491 12.4281 12.8676 12.9176 13.8417 13.8797 k =-0.1924 0.2086 0.2838 ( 8326 PWs) bands (ev): -38.5450 -38.5450 -15.6306 -15.6295 -13.8200 -13.8150 -13.4294 -13.4245 -13.1758 -13.1676 -4.6887 -4.6872 -2.3626 -2.3494 -2.0235 -1.9985 -0.9256 -0.9010 0.1362 0.1548 1.1321 1.1371 2.0839 2.0869 2.1441 2.1575 2.5020 2.5123 2.7184 2.7315 3.0344 3.0373 3.4653 3.4664 9.8785 9.8799 12.3521 12.4261 12.8877 12.9305 13.8692 13.9076 k =-0.1853 0.2009 0.2733 ( 8334 PWs) bands (ev): -38.5450 -38.5450 -15.6544 -15.6534 -13.7928 -13.7879 -13.4257 -13.4209 -13.1664 -13.1584 -4.7199 -4.7185 -2.3550 -2.3425 -2.0420 -2.0171 -0.9328 -0.9083 0.1377 0.1560 1.1556 1.1605 2.0935 2.0974 2.1413 2.1540 2.5233 2.5332 2.7291 2.7421 3.0248 3.0277 3.4479 3.4490 9.8257 9.8270 12.3410 12.4081 12.9187 12.9536 13.8954 13.9338 k =-0.1782 0.1932 0.2628 ( 8340 PWs) bands (ev): -38.5450 -38.5450 -15.6777 -15.6768 -13.7660 -13.7610 -13.4220 -13.4174 -13.1572 -13.1494 -4.7502 -4.7489 -2.3475 -2.3355 -2.0594 -2.0348 -0.9411 -0.9168 0.1402 0.1581 1.1755 1.1803 2.0998 2.1052 2.1435 2.1549 2.5419 2.5511 2.7432 2.7557 3.0164 3.0193 3.4297 3.4310 9.7718 9.7730 12.3173 12.3768 12.9588 12.9861 13.9203 13.9583 k =-0.1711 0.1854 0.2523 ( 8350 PWs) bands (ev): -38.5450 -38.5450 -15.7005 -15.6997 -13.7395 -13.7346 -13.4184 -13.4139 -13.1481 -13.1405 -4.7795 -4.7783 -2.3399 -2.3285 -2.0758 -2.0514 -0.9505 -0.9263 0.1434 0.1610 1.1915 1.1961 2.0993 2.1056 2.1551 2.1643 2.5581 2.5663 2.7601 2.7716 3.0094 3.0123 3.4110 3.4123 9.7169 9.7180 12.2830 12.3353 13.0056 13.0264 13.9440 13.9812 k =-0.1639 0.1777 0.2418 ( 8342 PWs) bands (ev): -38.5450 -38.5450 -15.7226 -15.7220 -13.7134 -13.7085 -13.4148 -13.4105 -13.1393 -13.1319 -4.8077 -4.8066 -2.3323 -2.3214 -2.0911 -2.0670 -0.9610 -0.9370 0.1475 0.1647 1.2035 1.2079 2.0929 2.0994 2.1749 2.1823 2.5726 2.5796 2.7783 2.7888 3.0043 3.0073 3.3918 3.3933 9.6611 9.6621 12.2408 12.2866 13.0569 13.0727 13.9666 14.0027 k =-0.1568 0.1700 0.2313 ( 8336 PWs) bands (ev): -38.5450 -38.5450 -15.7442 -15.7436 -13.6877 -13.6830 -13.4113 -13.4071 -13.1307 -13.1236 -4.8349 -4.8339 -2.3246 -2.3143 -2.1052 -2.0816 -0.9725 -0.9487 0.1523 0.1690 1.2115 1.2158 2.0833 2.0896 2.1998 2.2062 2.5857 2.5915 2.7966 2.8062 3.0016 3.0048 3.3723 3.3739 9.6047 9.6056 12.1929 12.2331 13.1111 13.1231 13.9883 14.0228 k =-0.1497 0.1623 0.2207 ( 8334 PWs) bands (ev): -38.5450 -38.5450 -15.7651 -15.7645 -13.6627 -13.6580 -13.4078 -13.4039 -13.1224 -13.1155 -4.8610 -4.8601 -2.3168 -2.3071 -2.1182 -2.0950 -0.9850 -0.9615 0.1578 0.1741 1.2158 1.2198 2.0719 2.0779 2.2283 2.2341 2.5978 2.6024 2.8137 2.8225 3.0019 3.0055 3.3526 3.3545 9.5478 9.5486 12.1410 12.1764 13.1673 13.1766 14.0093 14.0420 k =-0.1426 0.1545 0.2102 ( 8338 PWs) bands (ev): -38.5450 -38.5450 -15.7852 -15.7848 -13.6382 -13.6336 -13.4045 -13.4007 -13.1143 -13.1077 -4.8859 -4.8851 -2.3090 -2.2999 -2.1301 -2.1075 -0.9985 -0.9753 0.1640 0.1798 1.2167 1.2205 2.0596 2.0651 2.2593 2.2647 2.6090 2.6126 2.8287 2.8371 3.0056 3.0100 3.3329 3.3352 9.4907 9.4914 12.0867 12.1180 13.2246 13.2320 14.0296 14.0603 k =-0.1354 0.1468 0.1997 ( 8338 PWs) bands (ev): -38.5450 -38.5450 -15.8046 -15.8042 -13.6145 -13.6100 -13.4013 -13.3976 -13.1066 -13.1002 -4.9098 -4.9090 -2.3011 -2.2926 -2.1408 -2.1188 -1.0129 -0.9900 0.1708 0.1860 1.2145 1.2181 2.0467 2.0517 2.2920 2.2971 2.6193 2.6221 2.8411 2.8495 3.0131 3.0183 3.3134 3.3162 9.4337 9.4343 12.0312 12.0589 13.2825 13.2888 14.0493 14.0780 k =-0.1283 0.1391 0.1892 ( 8335 PWs) bands (ev): -38.5450 -38.5450 -15.8232 -15.8229 -13.5915 -13.5871 -13.3981 -13.3947 -13.0991 -13.0930 -4.9325 -4.9318 -2.2932 -2.2853 -2.1504 -2.1291 -1.0280 -1.0056 0.1781 0.1927 1.2098 1.2131 2.0336 2.0382 2.3255 2.3305 2.6287 2.6308 2.8513 2.8598 3.0242 3.0302 3.2943 3.2977 9.3769 9.3775 11.9753 12.0000 13.3407 13.3463 14.0685 14.0951 k =-0.1212 0.1313 0.1787 ( 8347 PWs) bands (ev): -38.5450 -38.5450 -15.8410 -15.8407 -13.5693 -13.5651 -13.3951 -13.3918 -13.0919 -13.0861 -4.9540 -4.9534 -2.2854 -2.2780 -2.1588 -2.1383 -1.0438 -1.0219 0.1859 0.1999 1.2029 1.2061 2.0206 2.0247 2.3591 2.3639 2.6368 2.6385 2.8602 2.8689 3.0380 3.0449 3.2758 3.2800 9.3206 9.3212 11.9198 11.9418 13.3991 13.4042 14.0873 14.1118 k =-0.1140 0.1236 0.1682 ( 8351 PWs) bands (ev): -38.5450 -38.5450 -15.8579 -15.8577 -13.5480 -13.5439 -13.3922 -13.3891 -13.0851 -13.0796 -4.9743 -4.9738 -2.2777 -2.2708 -2.1661 -2.1465 -1.0601 -1.0388 0.1940 0.2074 1.1943 1.1973 2.0079 2.0116 2.3919 2.3966 2.6435 2.6450 2.8691 2.8778 3.0536 3.0613 3.2582 3.2635 9.2652 9.2658 11.8654 11.8851 13.4573 13.4622 14.1056 14.1280 k =-0.1069 0.1159 0.1577 ( 8351 PWs) bands (ev): -38.5451 -38.5451 -15.8740 -15.8738 -13.5276 -13.5237 -13.3894 -13.3866 -13.0786 -13.0734 -4.9934 -4.9929 -2.2701 -2.2637 -2.1722 -2.1538 -1.0768 -1.0561 0.2024 0.2151 1.1844 1.1872 1.9956 1.9989 2.4231 2.4278 2.6485 2.6499 2.8789 2.8876 3.0699 3.0787 3.2417 3.2483 9.2110 9.2115 11.8125 11.8301 13.5152 13.5202 14.1235 14.1439 k =-0.0998 0.1082 0.1472 ( 8353 PWs) bands (ev): -38.5451 -38.5451 -15.8891 -15.8890 -13.5083 -13.5046 -13.3868 -13.3841 -13.0724 -13.0676 -5.0113 -5.0109 -2.2627 -2.2567 -2.1773 -2.1600 -1.0937 -1.0738 0.2110 0.2230 1.1737 1.1763 1.9839 1.9868 2.4522 2.4569 2.6516 2.6529 2.8907 2.8993 3.0859 3.0961 3.2266 3.2351 9.1582 9.1587 11.7616 11.7774 13.5728 13.5779 14.1408 14.1592 k =-0.0927 0.1004 0.1367 ( 8355 PWs) bands (ev): -38.5451 -38.5451 -15.9033 -15.9032 -13.4900 -13.4865 -13.3843 -13.3818 -13.0666 -13.0621 -5.0280 -5.0276 -2.2557 -2.2500 -2.1812 -2.1654 -1.1107 -1.0915 0.2198 0.2310 1.1623 1.1647 1.9729 1.9755 2.4786 2.4832 2.6528 2.6540 2.9049 2.9132 3.1004 3.1125 3.2135 3.2243 9.1072 9.1076 11.7131 11.7272 13.6299 13.6352 14.1576 14.1741 k =-0.0855 0.0927 0.1261 ( 8343 PWs) bands (ev): -38.5451 -38.5451 -15.9166 -15.9165 -13.4728 -13.4695 -13.3820 -13.3797 -13.0612 -13.0570 -5.0435 -5.0431 -2.2490 -2.2434 -2.1841 -2.1698 -1.1275 -1.1093 0.2285 0.2390 1.1507 1.1530 1.9627 1.9650 2.5021 2.5066 2.6521 2.6532 2.9216 2.9295 3.1123 3.1268 3.2033 3.2168 9.0582 9.0587 11.6672 11.6797 13.6865 13.6919 14.1737 14.1884 k =-0.0784 0.0850 0.1156 ( 8347 PWs) bands (ev): -38.5451 -38.5451 -15.9289 -15.9288 -13.4568 -13.4537 -13.3797 -13.3777 -13.0562 -13.0523 -5.0577 -5.0574 -2.2429 -2.2372 -2.1860 -2.1735 -1.1440 -1.1267 0.2371 0.2468 1.1391 1.1412 1.9534 1.9553 2.5225 2.5270 2.6498 2.6508 2.9404 2.9479 3.1205 3.1368 3.1978 3.2136 9.0117 9.0121 11.6242 11.6354 13.7424 13.7481 14.1891 14.2020 k =-0.0713 0.0773 0.1051 ( 8343 PWs) bands (ev): -38.5451 -38.5451 -15.9401 -15.9401 -13.4421 -13.4392 -13.3777 -13.3758 -13.0515 -13.0480 -5.0707 -5.0705 -2.2373 -2.2313 -2.1870 -2.1764 -1.1599 -1.1437 0.2455 0.2544 1.1278 1.1296 1.9449 1.9465 2.5399 2.5442 2.6462 2.6470 2.9608 2.9679 3.1245 3.1406 3.1989 3.2148 8.9679 8.9683 11.5844 11.5943 13.7977 13.8035 14.2036 14.2149 k =-0.0641 0.0695 0.0946 ( 8343 PWs) bands (ev): -38.5451 -38.5451 -15.9504 -15.9503 -13.4286 -13.4259 -13.3758 -13.3741 -13.0473 -13.0441 -5.0825 -5.0823 -2.2324 -2.2259 -2.1871 -2.1785 -1.1750 -1.1601 0.2535 0.2616 1.1169 1.1186 1.9373 1.9387 2.5546 2.5587 2.6416 2.6423 2.9821 2.9888 3.1248 3.1388 3.2058 3.2198 8.9271 8.9275 11.5478 11.5566 13.8521 13.8581 14.2173 14.2269 k =-0.0570 0.0618 0.0841 ( 8331 PWs) bands (ev): -38.5451 -38.5451 -15.9596 -15.9595 -13.4164 -13.4140 -13.3740 -13.3726 -13.0435 -13.0406 -5.0930 -5.0928 -2.2280 -2.2211 -2.1865 -2.1799 -1.1891 -1.1755 0.2611 0.2684 1.1066 1.1081 1.9305 1.9317 2.5667 2.5705 2.6365 2.6371 3.0035 3.0098 3.1229 3.1342 3.2154 3.2270 8.8897 8.8901 11.5148 11.5224 13.9057 13.9117 14.2299 14.2380 k =-0.0499 0.0541 0.0736 ( 8327 PWs) bands (ev): -38.5451 -38.5451 -15.9677 -15.9677 -13.4057 -13.4035 -13.3723 -13.3711 -13.0400 -13.0375 -5.1023 -5.1021 -2.2243 -2.2170 -2.1854 -2.1807 -1.2021 -1.1899 0.2682 0.2746 1.0972 1.0986 1.9247 1.9256 2.5766 2.5801 2.6311 2.6317 3.0242 3.0301 3.1201 3.1289 3.2256 3.2351 8.8560 8.8563 11.4854 11.4920 13.9582 13.9641 14.2416 14.2482 k =-0.0428 0.0464 0.0631 ( 8333 PWs) bands (ev): -38.5451 -38.5451 -15.9748 -15.9748 -13.3964 -13.3944 -13.3708 -13.3698 -13.0370 -13.0349 -5.1103 -5.1102 -2.2210 -2.2137 -2.1840 -2.1809 -1.2136 -1.2030 0.2746 0.2801 1.0888 1.0899 1.9197 1.9205 2.5844 2.5876 2.6259 2.6265 3.0436 3.0489 3.1170 3.1239 3.2352 3.2429 8.8261 8.8264 11.4598 11.4653 14.0095 14.0153 14.2522 14.2573 k =-0.0356 0.0386 0.0526 ( 8335 PWs) bands (ev): -38.5451 -38.5451 -15.9808 -15.9808 -13.3886 -13.3869 -13.3692 -13.3685 -13.0345 -13.0327 -5.1171 -5.1170 -2.2182 -2.2113 -2.1824 -2.1806 -1.2236 -1.2145 0.2803 0.2849 1.0815 1.0824 1.9155 1.9161 2.5905 2.5933 2.6212 2.6218 3.0609 3.0657 3.1144 3.1195 3.2438 3.2501 8.8004 8.8006 11.4380 11.4426 14.0593 14.0648 14.2619 14.2656 k =-0.0285 0.0309 0.0420 ( 8347 PWs) bands (ev): -38.5451 -38.5451 -15.9858 -15.9858 -13.3824 -13.3811 -13.3677 -13.3672 -13.0323 -13.0309 -5.1227 -5.1226 -2.2158 -2.2096 -2.1809 -2.1799 -1.2318 -1.2245 0.2851 0.2889 1.0753 1.0761 1.9122 1.9126 2.5948 2.5972 2.6173 2.6180 3.0756 3.0798 3.1125 3.1161 3.2512 3.2561 8.7790 8.7792 11.4202 11.4238 14.1071 14.1121 14.2707 14.2733 k =-0.0214 0.0232 0.0315 ( 8351 PWs) bands (ev): -38.5451 -38.5451 -15.9896 -15.9896 -13.3780 -13.3769 -13.3660 -13.3658 -13.0306 -13.0295 -5.1270 -5.1270 -2.2137 -2.2087 -2.1796 -2.1792 -1.2382 -1.2326 0.2891 0.2919 1.0705 1.0711 1.9096 1.9099 2.5976 2.5995 2.6146 2.6153 3.0870 3.0905 3.1118 3.1139 3.2571 3.2607 8.7622 8.7623 11.4063 11.4090 14.1518 14.1560 14.2791 14.2818 k =-0.0143 0.0155 0.0210 ( 8345 PWs) bands (ev): -38.5451 -38.5451 -15.9924 -15.9924 -13.3751 -13.3744 -13.3645 -13.3644 -13.0293 -13.0286 -5.1301 -5.1301 -2.2119 -2.2084 -2.1786 -2.1784 -1.2425 -1.2387 0.2921 0.2940 1.0670 1.0674 1.9078 1.9080 2.5990 2.6003 2.6132 2.6138 3.0945 3.0971 3.1124 3.1133 3.2616 3.2640 8.7501 8.7502 11.3965 11.3983 14.1909 14.1937 14.2890 14.2934 k =-0.0071 0.0077 0.0105 ( 8345 PWs) bands (ev): -38.5451 -38.5451 -15.9940 -15.9940 -13.3735 -13.3732 -13.3634 -13.3633 -13.0285 -13.0281 -5.1320 -5.1320 -2.2105 -2.2087 -2.1780 -2.1779 -1.2447 -1.2428 0.2941 0.2951 1.0649 1.0651 1.9067 1.9069 2.5995 2.6002 2.6128 2.6132 3.0983 3.0996 3.1139 3.1141 3.2645 3.2657 8.7428 8.7428 11.3908 11.3917 14.2184 14.2198 14.3054 14.3117 k = 0.0000 0.0000 0.0000 ( 8321 PWs) bands (ev): -38.5451 -38.5451 -15.9946 -15.9946 -13.3729 -13.3729 -13.3629 -13.3629 -13.0281 -13.0281 -5.1326 -5.1326 -2.2094 -2.2094 -2.1777 -2.1777 -1.2449 -1.2449 0.2951 0.2951 1.0643 1.0643 1.9064 1.9064 2.5998 2.5998 2.6129 2.6129 3.0997 3.0997 3.1147 3.1147 3.2659 3.2659 8.7404 8.7404 11.3892 11.3892 14.2284 14.2284 14.3291 14.3291 k = 0.0000 0.0000 0.0000 ( 8321 PWs) bands (ev): -38.5451 -38.5451 -15.9946 -15.9946 -13.3729 -13.3729 -13.3629 -13.3629 -13.0281 -13.0281 -5.1326 -5.1326 -2.2094 -2.2094 -2.1777 -2.1777 -1.2449 -1.2449 0.2951 0.2951 1.0643 1.0643 1.9064 1.9064 2.5998 2.5998 2.6129 2.6129 3.0997 3.0997 3.1147 3.1147 3.2659 3.2659 8.7404 8.7404 11.3892 11.3892 14.2284 14.2284 14.3291 14.3291 k = 0.0109 0.0100 0.0000 ( 8349 PWs) bands (ev): -38.5451 -38.5451 -15.9940 -15.9940 -13.3731 -13.3731 -13.3631 -13.3631 -13.0293 -13.0293 -5.1313 -5.1313 -2.2084 -2.2084 -2.1767 -2.1767 -1.2462 -1.2462 0.2956 0.2956 1.0657 1.0657 1.9054 1.9054 2.5993 2.5993 2.6124 2.6124 3.0997 3.0997 3.1147 3.1147 3.2636 3.2636 8.7431 8.7431 11.3904 11.3904 14.2238 14.2238 14.3245 14.3245 k = 0.0217 0.0201-0.0000 ( 8329 PWs) bands (ev): -38.5451 -38.5451 -15.9920 -15.9920 -13.3735 -13.3735 -13.3635 -13.3635 -13.0327 -13.0327 -5.1275 -5.1275 -2.2054 -2.2054 -2.1738 -2.1738 -1.2503 -1.2503 0.2971 0.2971 1.0700 1.0700 1.9023 1.9023 2.5979 2.5979 2.6110 2.6110 3.0996 3.0996 3.1146 3.1146 3.2567 3.2567 8.7513 8.7513 11.3939 11.3939 14.2100 14.2100 14.3105 14.3105 k = 0.0326 0.0301-0.0000 ( 8317 PWs) bands (ev): -38.5451 -38.5451 -15.9888 -15.9888 -13.3741 -13.3741 -13.3641 -13.3641 -13.0385 -13.0385 -5.1213 -5.1213 -2.2005 -2.2005 -2.1689 -2.1689 -1.2572 -1.2572 0.2996 0.2996 1.0770 1.0770 1.8971 1.8971 2.5954 2.5954 2.6086 2.6086 3.0996 3.0996 3.1144 3.1144 3.2453 3.2453 8.7650 8.7650 11.3998 11.3998 14.1875 14.1875 14.2872 14.2872 k = 0.0435 0.0401-0.0000 ( 8333 PWs) bands (ev): -38.5451 -38.5451 -15.9844 -15.9844 -13.3751 -13.3751 -13.3651 -13.3651 -13.0466 -13.0466 -5.1125 -5.1125 -2.1936 -2.1936 -2.1620 -2.1620 -1.2666 -1.2666 0.3031 0.3031 1.0868 1.0868 1.8900 1.8900 2.5918 2.5918 2.6051 2.6051 3.0996 3.0996 3.1144 3.1144 3.2296 3.2296 8.7840 8.7840 11.4079 11.4079 14.1567 14.1567 14.2552 14.2552 k = 0.0543 0.0501 0.0000 ( 8333 PWs) bands (ev): -38.5451 -38.5451 -15.9786 -15.9786 -13.3763 -13.3763 -13.3662 -13.3662 -13.0570 -13.0570 -5.1013 -5.1013 -2.1848 -2.1848 -2.1532 -2.1532 -1.2787 -1.2787 0.3077 0.3077 1.0990 1.0990 1.8809 1.8809 2.5870 2.5870 2.6005 2.6005 3.0997 3.0997 3.1145 3.1145 3.2096 3.2096 8.8081 8.8081 11.4181 11.4181 14.1183 14.1183 14.2154 14.2154 k = 0.0652 0.0602-0.0000 ( 8333 PWs) bands (ev): -38.5451 -38.5451 -15.9716 -15.9716 -13.3777 -13.3777 -13.3677 -13.3677 -13.0696 -13.0696 -5.0876 -5.0876 -2.1741 -2.1741 -2.1424 -2.1424 -1.2933 -1.2933 0.3133 0.3133 1.1137 1.1137 1.8699 1.8699 2.5808 2.5808 2.5945 2.5945 3.1001 3.1001 3.1149 3.1149 3.1858 3.1858 8.8372 8.8372 11.4303 11.4303 14.0730 14.0730 14.1686 14.1686 k = 0.0761 0.0702-0.0000 ( 8329 PWs) bands (ev): -38.5451 -38.5451 -15.9633 -15.9633 -13.3794 -13.3794 -13.3694 -13.3694 -13.0844 -13.0844 -5.0715 -5.0715 -2.1614 -2.1614 -2.1298 -2.1298 -1.3102 -1.3102 0.3201 0.3201 1.1306 1.1306 1.8570 1.8570 2.5732 2.5732 2.5870 2.5870 3.1005 3.1005 3.1159 3.1159 3.1586 3.1586 8.8710 8.8710 11.4444 11.4444 14.0217 14.0217 14.1156 14.1156 k = 0.0870 0.0802-0.0000 ( 8329 PWs) bands (ev): -38.5451 -38.5451 -15.9538 -15.9538 -13.3813 -13.3813 -13.3713 -13.3713 -13.1013 -13.1013 -5.0531 -5.0531 -2.1469 -2.1469 -2.1153 -2.1153 -1.3295 -1.3295 0.3279 0.3279 1.1495 1.1495 1.8424 1.8424 2.5640 2.5640 2.5779 2.5779 3.0992 3.0992 3.1173 3.1173 3.1302 3.1302 8.9093 8.9093 11.4600 11.4600 13.9652 13.9652 14.0572 14.0572 k = 0.0978 0.0902 0.0000 ( 8341 PWs) bands (ev): -38.5451 -38.5451 -15.9430 -15.9430 -13.3835 -13.3835 -13.3734 -13.3734 -13.1204 -13.1204 -5.0324 -5.0324 -2.1306 -2.1306 -2.0990 -2.0990 -1.3510 -1.3510 0.3369 0.3369 1.1702 1.1702 1.8262 1.8262 2.5529 2.5529 2.5670 2.5670 3.0833 3.0833 3.1134 3.1134 3.1201 3.1201 8.9518 8.9518 11.4771 11.4771 13.9042 13.9042 13.9944 13.9944 k = 0.1087 0.1003 0.0000 ( 8357 PWs) bands (ev): -38.5451 -38.5451 -15.9310 -15.9310 -13.3859 -13.3859 -13.3758 -13.3758 -13.1415 -13.1415 -5.0095 -5.0095 -2.1125 -2.1125 -2.0808 -2.0808 -1.3746 -1.3746 0.3470 0.3470 1.1925 1.1925 1.8084 1.8084 2.5401 2.5401 2.5542 2.5542 3.0488 3.0488 3.1137 3.1137 3.1233 3.1233 8.9983 8.9983 11.4954 11.4954 13.8394 13.8394 13.9277 13.9277 k = 0.1196 0.1103 0.0000 ( 8349 PWs) bands (ev): -38.5451 -38.5451 -15.9177 -15.9177 -13.3884 -13.3884 -13.3783 -13.3783 -13.1646 -13.1646 -4.9843 -4.9843 -2.0926 -2.0926 -2.0610 -2.0610 -1.4002 -1.4002 0.3583 0.3583 1.2161 1.2161 1.7892 1.7892 2.5252 2.5252 2.5394 2.5394 3.0089 3.0089 3.1176 3.1176 3.1277 3.1277 9.0484 9.0484 11.5146 11.5146 13.7715 13.7715 13.8580 13.8580 k = 0.1304 0.1203-0.0000 ( 8365 PWs) bands (ev): -38.5451 -38.5451 -15.9032 -15.9032 -13.3912 -13.3912 -13.3811 -13.3811 -13.1896 -13.1896 -4.9571 -4.9571 -2.0711 -2.0711 -2.0394 -2.0394 -1.4275 -1.4275 0.3707 0.3707 1.2409 1.2409 1.7687 1.7687 2.5082 2.5082 2.5224 2.5224 2.9660 2.9660 3.1231 3.1232 3.1333 3.1333 9.1018 9.1018 11.5344 11.5344 13.7010 13.7010 13.7858 13.7858 k = 0.1413 0.1304-0.0000 ( 8361 PWs) bands (ev): -38.5451 -38.5451 -15.8875 -15.8875 -13.3942 -13.3942 -13.3840 -13.3840 -13.2164 -13.2164 -4.9278 -4.9278 -2.0479 -2.0479 -2.0161 -2.0161 -1.4566 -1.4566 0.3842 0.3842 1.2666 1.2666 1.7470 1.7470 2.4891 2.4891 2.5033 2.5033 2.9208 2.9208 3.1302 3.1302 3.1402 3.1402 9.1583 9.1583 11.5547 11.5547 13.6286 13.6286 13.7117 13.7117 k = 0.1522 0.1404-0.0000 ( 8361 PWs) bands (ev): -38.5451 -38.5451 -15.8706 -15.8706 -13.3973 -13.3973 -13.3871 -13.3871 -13.2450 -13.2450 -4.8965 -4.8965 -2.0231 -2.0231 -1.9913 -1.9913 -1.4873 -1.4873 0.3988 0.3988 1.2930 1.2930 1.7242 1.7242 2.4679 2.4680 2.4820 2.4820 2.8737 2.8737 3.1386 3.1386 3.1483 3.1483 9.2174 9.2174 11.5750 11.5750 13.5547 13.5547 13.6362 13.6362 k = 0.1630 0.1504-0.0000 ( 8361 PWs) bands (ev): -38.5451 -38.5451 -15.8525 -15.8525 -13.4006 -13.4006 -13.3903 -13.3903 -13.2753 -13.2753 -4.8633 -4.8633 -1.9968 -1.9968 -1.9650 -1.9650 -1.5195 -1.5195 0.4143 0.4143 1.3199 1.3199 1.7005 1.7005 2.4446 2.4446 2.4585 2.4585 2.8251 2.8251 3.1483 3.1483 3.1578 3.1578 9.2790 9.2790 11.5952 11.5952 13.4798 13.4798 13.5596 13.5596 k = 0.1739 0.1604-0.0000 ( 8345 PWs) bands (ev): -38.5451 -38.5451 -15.8333 -15.8333 -13.4041 -13.4041 -13.3937 -13.3937 -13.3072 -13.3072 -4.8283 -4.8283 -1.9691 -1.9691 -1.9371 -1.9371 -1.5530 -1.5530 0.4309 0.4309 1.3470 1.3470 1.6760 1.6760 2.4193 2.4193 2.4329 2.4329 2.7753 2.7753 3.1593 3.1593 3.1685 3.1685 9.3426 9.3426 11.6148 11.6148 13.4042 13.4042 13.4825 13.4825 k = 0.1848 0.1705-0.0000 ( 8369 PWs) bands (ev): -38.5451 -38.5451 -15.8129 -15.8129 -13.4077 -13.4077 -13.3972 -13.3972 -13.3405 -13.3405 -4.7916 -4.7916 -1.9400 -1.9400 -1.9079 -1.9079 -1.5877 -1.5877 0.4484 0.4484 1.3741 1.3741 1.6509 1.6509 2.3919 2.3919 2.4053 2.4053 2.7247 2.7247 3.1715 3.1716 3.1805 3.1805 9.4081 9.4081 11.6337 11.6337 13.3283 13.3283 13.4052 13.4052 k = 0.1957 0.1805-0.0000 ( 8365 PWs) bands (ev): -38.5450 -38.5450 -15.7913 -15.7913 -13.4118 -13.4118 -13.4007 -13.4007 -13.3751 -13.3751 -4.7532 -4.7532 -1.9097 -1.9097 -1.8774 -1.8774 -1.6236 -1.6236 0.4667 0.4667 1.4009 1.4009 1.6252 1.6252 2.3627 2.3627 2.3757 2.3757 2.6737 2.6737 3.1849 3.1849 3.1936 3.1936 9.4751 9.4751 11.6516 11.6516 13.2524 13.2525 13.3279 13.3279 k = 0.2065 0.1905 0.0000 ( 8365 PWs) bands (ev): -38.5450 -38.5450 -15.7686 -15.7686 -13.4192 -13.4192 -13.4076 -13.4076 -13.4044 -13.4044 -4.7132 -4.7132 -1.8784 -1.8784 -1.8457 -1.8457 -1.6604 -1.6604 0.4859 0.4859 1.4274 1.4274 1.5991 1.5991 2.3316 2.3317 2.3443 2.3443 2.6225 2.6225 3.1993 3.1994 3.2078 3.2078 9.5433 9.5433 11.6681 11.6681 13.1769 13.1769 13.2510 13.2510 k = 0.2174 0.2005 0.0000 ( 8357 PWs) bands (ev): -38.5450 -38.5450 -15.7448 -15.7448 -13.4509 -13.4509 -13.4173 -13.4173 -13.4081 -13.4081 -4.6718 -4.6718 -1.8463 -1.8463 -1.8128 -1.8128 -1.6979 -1.6979 0.5057 0.5057 1.4531 1.4531 1.5728 1.5728 2.2990 2.2990 2.3112 2.3112 2.5714 2.5714 3.2147 3.2147 3.2229 3.2229 9.6125 9.6125 11.6832 11.6832 13.1019 13.1019 13.1748 13.1748 k = 0.2283 0.2106-0.0000 ( 8357 PWs) bands (ev): -38.5450 -38.5450 -15.7200 -15.7200 -13.4892 -13.4892 -13.4216 -13.4216 -13.4119 -13.4119 -4.6291 -4.6291 -1.8145 -1.8145 -1.7789 -1.7789 -1.7349 -1.7349 0.5262 0.5262 1.4778 1.4778 1.5464 1.5464 2.2648 2.2648 2.2767 2.2767 2.5210 2.5210 3.2309 3.2309 3.2389 3.2390 9.6824 9.6824 11.6965 11.6965 13.0277 13.0277 13.0994 13.0994 k = 0.2391 0.2206-0.0000 ( 8365 PWs) bands (ev): -38.5450 -38.5450 -15.6941 -15.6941 -13.5289 -13.5289 -13.4256 -13.4256 -13.4157 -13.4157 -4.5851 -4.5851 -1.7954 -1.7954 -1.7592 -1.7592 -1.7440 -1.7440 0.5472 0.5472 1.5008 1.5008 1.5205 1.5205 2.2293 2.2294 2.2407 2.2407 2.4714 2.4714 3.2479 3.2479 3.2557 3.2557 9.7529 9.7529 11.7078 11.7078 12.9546 12.9546 13.0251 13.0251 k = 0.2500 0.2306-0.0000 ( 8357 PWs) bands (ev): -38.5450 -38.5450 -15.6672 -15.6672 -13.5696 -13.5696 -13.4295 -13.4295 -13.4195 -13.4195 -4.5399 -4.5399 -1.8237 -1.8237 -1.7360 -1.7360 -1.7084 -1.7084 0.5687 0.5687 1.4929 1.4929 1.5242 1.5242 2.1927 2.1927 2.2036 2.2036 2.4232 2.4232 3.2654 3.2654 3.2731 3.2731 9.8236 9.8236 11.7170 11.7170 12.8828 12.8828 12.9522 12.9522 k = 0.2609 0.2407-0.0000 ( 8365 PWs) bands (ev): -38.5450 -38.5450 -15.6393 -15.6393 -13.6114 -13.6114 -13.4334 -13.4334 -13.4234 -13.4234 -4.4937 -4.4937 -1.8633 -1.8633 -1.7016 -1.7016 -1.6721 -1.6721 0.5905 0.5905 1.4671 1.4671 1.5443 1.5443 2.1550 2.1550 2.1655 2.1655 2.3767 2.3767 3.2835 3.2835 3.2910 3.2910 9.8943 9.8943 11.7240 11.7240 12.8124 12.8124 12.8808 12.8808 k = 0.2717 0.2507-0.0000 ( 8357 PWs) bands (ev): -38.5450 -38.5450 -15.6104 -15.6104 -13.6539 -13.6539 -13.4373 -13.4373 -13.4271 -13.4271 -4.4465 -4.4465 -1.9047 -1.9047 -1.6655 -1.6655 -1.6352 -1.6352 0.6127 0.6127 1.4414 1.4414 1.5624 1.5624 2.1165 2.1165 2.1265 2.1265 2.3324 2.3324 3.3018 3.3018 3.3093 3.3093 9.9649 9.9649 11.7286 11.7286 12.7437 12.7437 12.8111 12.8111 k = 0.2826 0.2607-0.0000 ( 8349 PWs) bands (ev): -38.5450 -38.5450 -15.5806 -15.5806 -13.6972 -13.6972 -13.4411 -13.4411 -13.4309 -13.4309 -4.3985 -4.3985 -1.9470 -1.9470 -1.6286 -1.6286 -1.5979 -1.5979 0.6349 0.6349 1.4161 1.4161 1.5780 1.5780 2.0774 2.0774 2.0869 2.0869 2.2907 2.2907 3.3205 3.3205 3.3278 3.3278 10.0351 10.0351 11.7308 11.7308 12.6768 12.6768 12.7432 12.7433 k = 0.2935 0.2707-0.0000 ( 8345 PWs) bands (ev): -38.5450 -38.5450 -15.5499 -15.5499 -13.7411 -13.7411 -13.4448 -13.4448 -13.4346 -13.4346 -4.3499 -4.3499 -1.9899 -1.9899 -1.5914 -1.5914 -1.5604 -1.5604 0.6573 0.6573 1.3914 1.3914 1.5908 1.5908 2.0378 2.0378 2.0469 2.0469 2.2521 2.2521 3.3392 3.3392 3.3465 3.3465 10.1048 10.1048 11.7305 11.7305 12.6119 12.6119 12.6775 12.6775 k = 0.3043 0.2808-0.0000 ( 8341 PWs) bands (ev): -38.5450 -38.5450 -15.5185 -15.5185 -13.7854 -13.7854 -13.4484 -13.4484 -13.4382 -13.4382 -4.3006 -4.3006 -2.0332 -2.0332 -1.5541 -1.5541 -1.5227 -1.5227 0.6797 0.6797 1.3673 1.3673 1.6003 1.6003 1.9980 1.9980 2.0067 2.0068 2.2172 2.2172 3.3579 3.3579 3.3651 3.3652 10.1738 10.1738 11.7278 11.7278 12.5493 12.5493 12.6140 12.6140 k = 0.3152 0.2908-0.0000 ( 8317 PWs) bands (ev): -38.5449 -38.5449 -15.4862 -15.4862 -13.8302 -13.8302 -13.4520 -13.4520 -13.4417 -13.4417 -4.2510 -4.2510 -2.0769 -2.0769 -1.5168 -1.5168 -1.4852 -1.4852 0.7019 0.7019 1.3440 1.3440 1.6062 1.6062 1.9581 1.9581 1.9666 1.9666 2.1862 2.1862 3.3765 3.3765 3.3837 3.3837 10.2419 10.2419 11.7225 11.7225 12.4890 12.4890 12.5529 12.5529 k = 0.3261 0.3008-0.0000 ( 8309 PWs) bands (ev): -38.5449 -38.5449 -15.4532 -15.4532 -13.8753 -13.8753 -13.4554 -13.4554 -13.4451 -13.4451 -4.2011 -4.2011 -2.1208 -2.1208 -1.4797 -1.4797 -1.4479 -1.4479 0.7239 0.7239 1.3214 1.3214 1.6081 1.6081 1.9185 1.9185 1.9266 1.9267 2.1597 2.1597 3.3948 3.3948 3.4020 3.4020 10.3090 10.3090 11.7147 11.7147 12.4311 12.4311 12.4943 12.4943 k = 0.3370 0.3108-0.0000 ( 8309 PWs) bands (ev): -38.5449 -38.5449 -15.4196 -15.4196 -13.9205 -13.9205 -13.4588 -13.4588 -13.4484 -13.4484 -4.1511 -4.1511 -2.1649 -2.1649 -1.4431 -1.4431 -1.4110 -1.4110 0.7456 0.7456 1.2998 1.2998 1.6061 1.6061 1.8792 1.8792 1.8872 1.8872 2.1378 2.1378 3.4128 3.4128 3.4199 3.4199 10.3750 10.3750 11.7046 11.7046 12.3760 12.3760 12.4384 12.4384 k = 0.3478 0.3209-0.0000 ( 8301 PWs) bands (ev): -38.5449 -38.5449 -15.3855 -15.3855 -13.9657 -13.9657 -13.4619 -13.4619 -13.4516 -13.4516 -4.1012 -4.1012 -2.2089 -2.2089 -1.4072 -1.4072 -1.3748 -1.3748 0.7669 0.7669 1.2791 1.2791 1.6003 1.6003 1.8406 1.8406 1.8485 1.8485 2.1204 2.1204 3.4302 3.4302 3.4373 3.4373 10.4396 10.4396 11.6921 11.6921 12.3236 12.3236 12.3853 12.3854 k = 0.3587 0.3309 0.0000 ( 8293 PWs) bands (ev): -38.5449 -38.5449 -15.3509 -15.3509 -14.0108 -14.0108 -13.4649 -13.4649 -13.4546 -13.4546 -4.0516 -4.0516 -2.2528 -2.2528 -1.3722 -1.3722 -1.3395 -1.3395 0.7877 0.7877 1.2594 1.2594 1.5910 1.5910 1.8029 1.8029 1.8108 1.8108 2.1074 2.1074 3.4471 3.4471 3.4542 3.4542 10.5028 10.5028 11.6773 11.6773 12.2742 12.2742 12.3353 12.3353 k = 0.3696 0.3409-0.0000 ( 8301 PWs) bands (ev): -38.5449 -38.5449 -15.3160 -15.3160 -14.0556 -14.0556 -13.4678 -13.4678 -13.4574 -13.4574 -4.0026 -4.0026 -2.2962 -2.2962 -1.3383 -1.3383 -1.3054 -1.3054 0.8078 0.8078 1.2407 1.2407 1.5787 1.5787 1.7664 1.7664 1.7743 1.7744 2.0982 2.0982 3.4632 3.4632 3.4703 3.4703 10.5645 10.5645 11.6605 11.6605 12.2278 12.2278 12.2883 12.2883 k = 0.3804 0.3510-0.0000 ( 8317 PWs) bands (ev): -38.5449 -38.5449 -15.2810 -15.2810 -14.0999 -14.0999 -13.4705 -13.4705 -13.4601 -13.4601 -3.9544 -3.9544 -2.3391 -2.3391 -1.3058 -1.3058 -1.2726 -1.2726 0.8273 0.8273 1.2231 1.2231 1.5643 1.5643 1.7313 1.7313 1.7394 1.7394 2.0923 2.0923 3.4784 3.4784 3.4855 3.4855 10.6244 10.6244 11.6417 11.6417 12.1846 12.1846 12.2446 12.2446 k = 0.3913 0.3610-0.0000 ( 8325 PWs) bands (ev): -38.5449 -38.5449 -15.2460 -15.2460 -14.1435 -14.1435 -13.4730 -13.4730 -13.4625 -13.4625 -3.9073 -3.9073 -2.3811 -2.3811 -1.2750 -1.2750 -1.2414 -1.2414 0.8460 0.8460 1.2066 1.2066 1.5485 1.5485 1.6979 1.6979 1.7063 1.7063 2.0889 2.0889 3.4928 3.4928 3.4999 3.4999 10.6825 10.6825 11.6210 11.6210 12.1448 12.1448 12.2043 12.2043 k = 0.4022 0.3710-0.0000 ( 8329 PWs) bands (ev): -38.5449 -38.5449 -15.2112 -15.2112 -14.1861 -14.1861 -13.4752 -13.4752 -13.4648 -13.4648 -3.8618 -3.8618 -2.4220 -2.4220 -1.2460 -1.2460 -1.2122 -1.2122 0.8638 0.8638 1.1913 1.1913 1.5320 1.5320 1.6665 1.6665 1.6752 1.6752 2.0876 2.0876 3.5060 3.5060 3.5132 3.5132 10.7385 10.7385 11.5988 11.5988 12.1083 12.1083 12.1674 12.1674 k = 0.4130 0.3810 0.0000 ( 8329 PWs) bands (ev): -38.5449 -38.5449 -15.1771 -15.1771 -14.2273 -14.2273 -13.4773 -13.4773 -13.4668 -13.4668 -3.8182 -3.8182 -2.4612 -2.4612 -1.2192 -1.2192 -1.1850 -1.1850 0.8805 0.8805 1.1771 1.1771 1.5156 1.5156 1.6374 1.6374 1.6464 1.6464 2.0876 2.0876 3.5182 3.5182 3.5253 3.5253 10.7922 10.7922 11.5752 11.5752 12.0754 12.0754 12.1341 12.1341 k = 0.4239 0.3911-0.0000 ( 8325 PWs) bands (ev): -38.5449 -38.5449 -15.1439 -15.1439 -14.2668 -14.2668 -13.4792 -13.4792 -13.4687 -13.4687 -3.7771 -3.7771 -2.4984 -2.4984 -1.1947 -1.1947 -1.1603 -1.1603 0.8962 0.8962 1.1640 1.1640 1.4997 1.4997 1.6109 1.6109 1.6203 1.6203 2.0885 2.0885 3.5291 3.5291 3.5363 3.5363 10.8433 10.8433 11.5505 11.5505 12.0461 12.0461 12.1045 12.1045 k = 0.4348 0.4011-0.0000 ( 8333 PWs) bands (ev): -38.5449 -38.5449 -15.1122 -15.1122 -14.3040 -14.3040 -13.4808 -13.4808 -13.4703 -13.4703 -3.7391 -3.7391 -2.5329 -2.5329 -1.1730 -1.1730 -1.1383 -1.1383 0.9105 0.9105 1.1523 1.1523 1.4850 1.4850 1.5872 1.5872 1.5970 1.5970 2.0900 2.0900 3.5388 3.5388 3.5459 3.5459 10.8915 10.8915 11.5253 11.5253 12.0205 12.0205 12.0787 12.0787 k = 0.4457 0.4111-0.0000 ( 8341 PWs) bands (ev): -38.5449 -38.5449 -15.0827 -15.0827 -14.3383 -14.3383 -13.4821 -13.4821 -13.4716 -13.4716 -3.7049 -3.7049 -2.5641 -2.5641 -1.1541 -1.1541 -1.1192 -1.1192 0.9234 0.9234 1.1418 1.1418 1.4718 1.4718 1.5666 1.5667 1.5768 1.5768 2.0916 2.0916 3.5470 3.5470 3.5542 3.5542 10.9361 10.9361 11.5000 11.5000 11.9987 11.9987 12.0567 12.0567 k = 0.4565 0.4211-0.0000 ( 8357 PWs) bands (ev): -38.5449 -38.5449 -15.0561 -15.0561 -14.3687 -14.3687 -13.4833 -13.4833 -13.4728 -13.4728 -3.6752 -3.6752 -2.5913 -2.5913 -1.1383 -1.1383 -1.1032 -1.1032 0.9345 0.9345 1.1327 1.1327 1.4606 1.4606 1.5495 1.5495 1.5599 1.5600 2.0933 2.0933 3.5539 3.5539 3.5611 3.5611 10.9763 10.9763 11.4756 11.4756 11.9807 11.9807 12.0386 12.0386 k = 0.4674 0.4312 0.0000 ( 8369 PWs) bands (ev): -38.5449 -38.5449 -15.0337 -15.0337 -14.3942 -14.3942 -13.4842 -13.4842 -13.4737 -13.4737 -3.6510 -3.6510 -2.6135 -2.6135 -1.1258 -1.1258 -1.0905 -1.0905 0.9437 0.9437 1.1253 1.1253 1.4516 1.4516 1.5359 1.5359 1.5466 1.5466 2.0948 2.0948 3.5593 3.5593 3.5665 3.5665 11.0109 11.0109 11.4533 11.4533 11.9667 11.9667 12.0244 12.0244 k = 0.4783 0.4412-0.0000 ( 8362 PWs) bands (ev): -38.5449 -38.5449 -15.0164 -15.0164 -14.4137 -14.4137 -13.4848 -13.4848 -13.4743 -13.4743 -3.6329 -3.6329 -2.6302 -2.6302 -1.1168 -1.1168 -1.0813 -1.0813 0.9507 0.9507 1.1197 1.1197 1.4449 1.4449 1.5260 1.5260 1.5370 1.5370 2.0959 2.0959 3.5632 3.5632 3.5703 3.5703 11.0381 11.0381 11.4348 11.4348 11.9566 11.9566 12.0143 12.0143 k = 0.4891 0.4512-0.0000 ( 8370 PWs) bands (ev): -38.5449 -38.5449 -15.0054 -15.0054 -14.4260 -14.4260 -13.4852 -13.4852 -13.4747 -13.4747 -3.6217 -3.6217 -2.6405 -2.6405 -1.1113 -1.1113 -1.0758 -1.0758 0.9550 0.9550 1.1162 1.1162 1.4409 1.4409 1.5201 1.5201 1.5312 1.5312 2.0966 2.0966 3.5655 3.5655 3.5727 3.5727 11.0559 11.0559 11.4223 11.4223 11.9506 11.9506 12.0082 12.0082 k = 0.5000 0.4613-0.0000 ( 8370 PWs) bands (ev): -38.5449 -38.5449 -15.0016 -15.0016 -14.4302 -14.4302 -13.4853 -13.4853 -13.4748 -13.4748 -3.6180 -3.6180 -2.6440 -2.6440 -1.1095 -1.1095 -1.0739 -1.0739 0.9565 0.9565 1.1150 1.1150 1.4396 1.4396 1.5181 1.5181 1.5292 1.5292 2.0968 2.0968 3.5663 3.5663 3.5735 3.5735 11.0620 11.0620 11.4178 11.4178 11.9486 11.9486 12.0062 12.0062 k = 0.5000 0.4613-0.0000 ( 8370 PWs) bands (ev): -38.5449 -38.5449 -15.0016 -15.0016 -14.4302 -14.4302 -13.4853 -13.4853 -13.4748 -13.4748 -3.6180 -3.6180 -2.6440 -2.6440 -1.1095 -1.1095 -1.0739 -1.0739 0.9565 0.9565 1.1150 1.1150 1.4396 1.4396 1.5181 1.5181 1.5292 1.5292 2.0968 2.0968 3.5663 3.5663 3.5735 3.5735 11.0620 11.0620 11.4178 11.4178 11.9486 11.9486 12.0062 12.0062 k = 0.4932 0.4687 0.0101 ( 8366 PWs) bands (ev): -38.5449 -38.5449 -15.0019 -15.0014 -14.4302 -14.4302 -13.4855 -13.4850 -13.4747 -13.4747 -3.6183 -3.6182 -2.6450 -2.6434 -1.1106 -1.1088 -1.0745 -1.0738 0.9549 0.9552 1.1074 1.1112 1.4295 1.4363 1.5202 1.5248 1.5362 1.5429 2.0961 2.0987 3.5661 3.5663 3.5733 3.5736 11.0604 11.0609 11.4133 11.4211 11.9471 11.9546 12.0084 12.0086 k = 0.4863 0.4761 0.0202 ( 8362 PWs) bands (ev): -38.5449 -38.5449 -15.0022 -15.0014 -14.4302 -14.4302 -13.4856 -13.4845 -13.4745 -13.4744 -3.6192 -3.6189 -2.6465 -2.6431 -1.1123 -1.1087 -1.0754 -1.0740 0.9506 0.9511 1.0892 1.0962 1.4162 1.4264 1.5234 1.5287 1.5682 1.5744 2.0966 2.1018 3.5655 3.5658 3.5732 3.5737 11.0561 11.0571 11.4076 11.4229 11.9502 11.9646 12.0155 12.0158 k = 0.4795 0.4835 0.0303 ( 8358 PWs) bands (ev): -38.5449 -38.5449 -15.0027 -15.0014 -14.4302 -14.4302 -13.4857 -13.4840 -13.4741 -13.4739 -3.6207 -3.6203 -2.6483 -2.6433 -1.1148 -1.1098 -1.0765 -1.0738 0.9435 0.9443 1.0624 1.0717 1.4069 1.4184 1.5274 1.5336 1.6104 1.6155 2.0983 2.1060 3.5641 3.5644 3.5736 3.5745 11.0492 11.0505 11.4012 11.4235 11.9572 11.9776 12.0273 12.0291 k = 0.4726 0.4909 0.0403 ( 8346 PWs) bands (ev): -38.5449 -38.5449 -15.0032 -15.0016 -14.4301 -14.4301 -13.4857 -13.4835 -13.4734 -13.4729 -3.6228 -3.6223 -2.6504 -2.6438 -1.1186 -1.1126 -1.0772 -1.0729 0.9338 0.9349 1.0293 1.0402 1.4028 1.4147 1.5326 1.5400 1.6576 1.6617 2.1012 2.1113 3.5615 3.5619 3.5749 3.5760 11.0399 11.0415 11.3946 11.4230 11.9672 11.9925 12.0441 12.0490 k = 0.4658 0.4983 0.0504 ( 8342 PWs) bands (ev): -38.5449 -38.5449 -15.0040 -15.0020 -14.4300 -14.4300 -13.4858 -13.4831 -13.4724 -13.4715 -3.6257 -3.6251 -2.6526 -2.6445 -1.1241 -1.1174 -1.0772 -1.0707 0.9214 0.9229 0.9923 1.0041 1.4034 1.4152 1.5392 1.5477 1.7078 1.7112 2.1052 2.1176 3.5578 3.5583 3.5769 3.5783 11.0284 11.0302 11.3880 11.4218 11.9793 12.0086 12.0664 12.0752 k = 0.4590 0.5057 0.0605 ( 8338 PWs) bands (ev): -38.5449 -38.5449 -15.0050 -15.0026 -14.4297 -14.4297 -13.4861 -13.4830 -13.4709 -13.4695 -3.6295 -3.6287 -2.6548 -2.6452 -1.1318 -1.1243 -1.0761 -1.0673 0.9057 0.9083 0.9537 0.9660 1.4078 1.4193 1.5471 1.5565 1.7599 1.7628 2.1101 2.1247 3.5530 3.5538 3.5794 3.5811 11.0150 11.0168 11.3820 11.4202 11.9933 12.0259 12.0942 12.1070 k = 0.4521 0.5131 0.0706 ( 8338 PWs) bands (ev): -38.5449 -38.5449 -15.0063 -15.0035 -14.4292 -14.4292 -13.4865 -13.4831 -13.4689 -13.4670 -3.6343 -3.6334 -2.6568 -2.6459 -1.1414 -1.1332 -1.0739 -1.0629 0.8845 0.8897 0.9171 0.9290 1.4153 1.4264 1.5560 1.5664 1.8131 1.8157 2.1160 2.1326 3.5473 3.5483 3.5825 3.5844 11.0000 11.0016 11.3766 11.4187 12.0090 12.0445 12.1271 12.1434 k = 0.4453 0.5206 0.0807 ( 8334 PWs) bands (ev): -38.5449 -38.5449 -15.0080 -15.0048 -14.4284 -14.4284 -13.4870 -13.4834 -13.4664 -13.4640 -3.6402 -3.6392 -2.6585 -2.6463 -1.1530 -1.1440 -1.0706 -1.0575 0.8533 0.8623 0.8891 0.8982 1.4255 1.4362 1.5660 1.5771 1.8668 1.8693 2.1227 2.1411 3.5407 3.5419 3.5859 3.5880 10.9835 10.9850 11.3723 11.4176 12.0263 12.0646 12.1645 12.1838 k = 0.4384 0.5280 0.0908 ( 8320 PWs) bands (ev): -38.5449 -38.5449 -15.0101 -15.0066 -14.4273 -14.4273 -13.4877 -13.4837 -13.4634 -13.4605 -3.6474 -3.6463 -2.6597 -2.6463 -1.1663 -1.1566 -1.0664 -1.0515 0.8147 0.8259 0.8680 0.8749 1.4379 1.4483 1.5768 1.5885 1.9207 1.9233 2.1301 2.1502 3.5333 3.5346 3.5895 3.5919 10.9658 10.9671 11.3692 11.4172 12.0453 12.0862 12.2058 12.2275 k = 0.4316 0.5354 0.1009 ( 8316 PWs) bands (ev): -38.5449 -38.5449 -15.0128 -15.0090 -14.4257 -14.4257 -13.4884 -13.4842 -13.4599 -13.4565 -3.6561 -3.6549 -2.6603 -2.6457 -1.1813 -1.1707 -1.0614 -1.0448 0.7741 0.7862 0.8487 0.8546 1.4524 1.4624 1.5883 1.6005 1.9743 1.9772 2.1380 2.1597 3.5251 3.5266 3.5934 3.5961 10.9472 10.9482 11.3674 11.4177 12.0661 12.1095 12.2504 12.2740 k = 0.4248 0.5428 0.1110 ( 8328 PWs) bands (ev): -38.5449 -38.5449 -15.0161 -15.0121 -14.4236 -14.4235 -13.4891 -13.4847 -13.4560 -13.4522 -3.6663 -3.6650 -2.6600 -2.6445 -1.1977 -1.1864 -1.0558 -1.0377 0.7334 0.7462 0.8297 0.8352 1.4687 1.4784 1.6005 1.6130 2.0274 2.0307 2.1465 2.1696 3.5160 3.5177 3.5975 3.6003 10.9278 10.9286 11.3671 11.4193 12.0886 12.1343 12.2978 12.3229 k = 0.4179 0.5502 0.1210 ( 8332 PWs) bands (ev): -38.5449 -38.5449 -15.0202 -15.0159 -14.4208 -14.4207 -13.4898 -13.4852 -13.4517 -13.4474 -3.6782 -3.6768 -2.6587 -2.6423 -1.2155 -1.2034 -1.0497 -1.0303 0.6934 0.7067 0.8108 0.8161 1.4867 1.4961 1.6134 1.6260 2.0793 2.0834 2.1554 2.1798 3.5062 3.5080 3.6015 3.6045 10.9076 10.9083 11.3685 11.4223 12.1128 12.1607 12.3477 12.3739 k = 0.4111 0.5576 0.1311 ( 8326 PWs) bands (ev): -38.5449 -38.5449 -15.0251 -15.0206 -14.4172 -14.4171 -13.4905 -13.4857 -13.4470 -13.4423 -3.6920 -3.6904 -2.6564 -2.6392 -1.2346 -1.2217 -1.0432 -1.0225 0.6546 0.6683 0.7922 0.7975 1.5063 1.5155 1.6267 1.6395 2.1289 2.1347 2.1656 2.1910 3.4956 3.4975 3.6056 3.6087 10.8870 10.8876 11.3715 11.4267 12.1386 12.1886 12.3996 12.4266 k = 0.4043 0.5650 0.1412 ( 8330 PWs) bands (ev): -38.5449 -38.5449 -15.0309 -15.0262 -14.4129 -14.4127 -13.4911 -13.4861 -13.4418 -13.4368 -3.7076 -3.7059 -2.6529 -2.6351 -1.2549 -1.2413 -1.0363 -1.0146 0.6171 0.6312 0.7739 0.7793 1.5274 1.5363 1.6406 1.6533 2.1655 2.1768 2.1906 2.2072 3.4842 3.4863 3.6095 3.6128 10.8658 10.8666 11.3764 11.4328 12.1660 12.2180 12.4532 12.4809 k = 0.3974 0.5725 0.1513 ( 8322 PWs) bands (ev): -38.5449 -38.5449 -15.0378 -15.0329 -14.4076 -14.4073 -13.4916 -13.4864 -13.4364 -13.4309 -3.7251 -3.7233 -2.6483 -2.6298 -1.2762 -1.2619 -1.0291 -1.0064 0.5810 0.5955 0.7563 0.7617 1.5499 1.5586 1.6549 1.6675 2.1778 2.1990 2.2382 2.2420 3.4722 3.4744 3.6132 3.6166 10.8442 10.8453 11.3833 11.4406 12.1948 12.2488 12.5083 12.5365 k = 0.3906 0.5799 0.1614 ( 8314 PWs) bands (ev): -38.5449 -38.5449 -15.0457 -15.0407 -14.4013 -14.4009 -13.4920 -13.4866 -13.4305 -13.4247 -3.7445 -3.7426 -2.6425 -2.6235 -1.2986 -1.2835 -1.0217 -0.9982 0.5466 0.5614 0.7396 0.7451 1.5738 1.5821 1.6696 1.6821 2.1866 2.2105 2.2860 2.2870 3.4596 3.4618 3.6166 3.6202 10.8224 10.8237 11.3921 11.4504 12.2251 12.2808 12.5646 12.5930 k = 0.3837 0.5873 0.1715 ( 8314 PWs) bands (ev): -38.5449 -38.5449 -15.0547 -15.0496 -14.3939 -14.3934 -13.4923 -13.4867 -13.4243 -13.4182 -3.7659 -3.7638 -2.6355 -2.6162 -1.3219 -1.3061 -1.0141 -0.9900 0.5137 0.5290 0.7240 0.7295 1.5989 1.6070 1.6848 1.6969 2.1945 2.2195 2.3320 2.3329 3.4462 3.4486 3.6197 3.6234 10.8002 10.8018 11.4031 11.4621 12.2566 12.3140 12.6217 12.6503 k = 0.3769 0.5947 0.1816 ( 8316 PWs) bands (ev): -38.5449 -38.5449 -15.0649 -15.0598 -14.3854 -14.3848 -13.4924 -13.4866 -13.4178 -13.4113 -3.7890 -3.7868 -2.6275 -2.6078 -1.3460 -1.3295 -1.0065 -0.9818 0.4826 0.4982 0.7097 0.7152 1.6252 1.6329 1.7004 1.7122 2.2018 2.2274 2.3763 2.3776 3.4323 3.4348 3.6224 3.6262 10.7778 10.7796 11.4163 11.4760 12.2893 12.3484 12.6795 12.7082 k = 0.3701 0.6021 0.1916 ( 8312 PWs) bands (ev): -38.5449 -38.5449 -15.0762 -15.0712 -14.3758 -14.3750 -13.4923 -13.4864 -13.4110 -13.4042 -3.8140 -3.8116 -2.6184 -2.5985 -1.3709 -1.3536 -0.9988 -0.9736 0.4531 0.4691 0.6969 0.7026 1.6526 1.6599 1.7165 1.7277 2.2083 2.2342 2.4188 2.4204 3.4179 3.4204 3.6247 3.6286 10.7551 10.7571 11.4318 11.4922 12.3230 12.3836 12.7377 12.7664 k = 0.3632 0.6095 0.2017 ( 8304 PWs) bands (ev): -38.5449 -38.5449 -15.0888 -15.0838 -14.3650 -14.3640 -13.4920 -13.4860 -13.4038 -13.3968 -3.8406 -3.8381 -2.6085 -2.5884 -1.3964 -1.3785 -0.9911 -0.9656 0.4252 0.4417 0.6860 0.6916 1.6811 1.6878 1.7331 1.7436 2.2141 2.2402 2.4591 2.4609 3.4029 3.4055 3.6265 3.6304 10.7321 10.7343 11.4497 11.5106 12.3577 12.4197 12.7961 12.8246 k = 0.3564 0.6169 0.2118 ( 8312 PWs) bands (ev): -38.5449 -38.5449 -15.1026 -15.0976 -14.3530 -14.3518 -13.4915 -13.4854 -13.3964 -13.3891 -3.8687 -3.8662 -2.5979 -2.5777 -1.4224 -1.4039 -0.9835 -0.9577 0.3990 0.4158 0.6770 0.6827 1.7105 1.7163 1.7503 1.7597 2.2191 2.2452 2.4973 2.4992 3.3875 3.3901 3.6278 3.6317 10.7087 10.7111 11.4699 11.5314 12.3931 12.4565 12.8545 12.8828 k = 0.3564 0.6169 0.2118 ( 8312 PWs) bands (ev): -38.5449 -38.5449 -15.1026 -15.0976 -14.3530 -14.3518 -13.4915 -13.4854 -13.3964 -13.3891 -3.8687 -3.8662 -2.5979 -2.5777 -1.4224 -1.4039 -0.9835 -0.9577 0.3990 0.4158 0.6770 0.6827 1.7105 1.7163 1.7503 1.7597 2.2191 2.2452 2.4973 2.4992 3.3875 3.3901 3.6278 3.6317 10.7087 10.7111 11.4699 11.5314 12.3931 12.4565 12.8545 12.8828 k = 0.3436 0.6128 0.2174 ( 8315 PWs) bands (ev): -38.5449 -38.5449 -15.1117 -15.1068 -14.3448 -14.3435 -13.4909 -13.4848 -13.3921 -13.3846 -3.8865 -3.8839 -2.5903 -2.5700 -1.4378 -1.4189 -0.9801 -0.9542 0.3856 0.4026 0.6738 0.6796 1.7267 1.7319 1.7602 1.7683 2.2213 2.2473 2.5186 2.5205 3.3787 3.3813 3.6280 3.6319 10.6939 10.6965 11.4846 11.5463 12.4133 12.4774 12.8872 12.9154 k = 0.3309 0.6087 0.2230 ( 8317 PWs) bands (ev): -38.5449 -38.5449 -15.1230 -15.1181 -14.3345 -14.3331 -13.4899 -13.4838 -13.3874 -13.3798 -3.9076 -3.9049 -2.5798 -2.5595 -1.4545 -1.4354 -0.9781 -0.9521 0.3738 0.3907 0.6728 0.6788 1.7418 1.7465 1.7709 1.7761 2.2227 2.2487 2.5412 2.5432 3.3697 3.3722 3.6275 3.6314 10.6759 10.6787 11.5043 11.5663 12.4341 12.4989 12.9205 12.9484 k = 0.3182 0.6046 0.2286 ( 8311 PWs) bands (ev): -38.5449 -38.5449 -15.1359 -15.1312 -14.3227 -14.3210 -13.4885 -13.4823 -13.3824 -13.3747 -3.9315 -3.9287 -2.5667 -2.5464 -1.4723 -1.4530 -0.9775 -0.9514 0.3635 0.3803 0.6739 0.6800 1.7532 1.7605 1.7820 1.7851 2.2236 2.2493 2.5648 2.5670 3.3605 3.3630 3.6264 3.6303 10.6554 10.6584 11.5287 11.5909 12.4555 12.5209 12.9542 12.9818 k = 0.3055 0.6005 0.2342 ( 8321 PWs) bands (ev): -38.5449 -38.5449 -15.1502 -15.1457 -14.3096 -14.3078 -13.4866 -13.4804 -13.3772 -13.3693 -3.9579 -3.9550 -2.5515 -2.5313 -1.4911 -1.4716 -0.9782 -0.9521 0.3548 0.3714 0.6768 0.6832 1.7603 1.7717 1.7925 1.7994 2.2239 2.2493 2.5892 2.5914 3.3514 3.3538 3.6249 3.6286 10.6329 10.6361 11.5573 11.6198 12.4772 12.5432 12.9882 13.0154 k = 0.2927 0.5963 0.2398 ( 8315 PWs) bands (ev): -38.5449 -38.5449 -15.1655 -15.1611 -14.2957 -14.2937 -13.4842 -13.4780 -13.3716 -13.3636 -3.9862 -3.9833 -2.5345 -2.5145 -1.5104 -1.4909 -0.9801 -0.9539 0.3477 0.3638 0.6814 0.6881 1.7643 1.7773 1.8069 1.8162 2.2236 2.2487 2.6139 2.6161 3.3423 3.3447 3.6229 3.6266 10.6089 10.6123 11.5898 11.6525 12.4992 12.5657 13.0223 13.0491 k = 0.2800 0.5922 0.2454 ( 8314 PWs) bands (ev): -38.5449 -38.5449 -15.1815 -15.1773 -14.2813 -14.2792 -13.4814 -13.4752 -13.3658 -13.3576 -4.0161 -4.0131 -2.5162 -2.4963 -1.5302 -1.5106 -0.9831 -0.9569 0.3420 0.3577 0.6873 0.6943 1.7658 1.7788 1.8242 1.8343 2.2229 2.2475 2.6385 2.6407 3.3333 3.3357 3.6208 3.6244 10.5840 10.5874 11.6256 11.6886 12.5214 12.5883 13.0564 13.0828 k = 0.2673 0.5881 0.2510 ( 8306 PWs) bands (ev): -38.5449 -38.5449 -15.1979 -15.1939 -14.2668 -14.2646 -13.4782 -13.4720 -13.3596 -13.3513 -4.0471 -4.0441 -2.4970 -2.4773 -1.5499 -1.5303 -0.9871 -0.9610 0.3378 0.3529 0.6943 0.7018 1.7653 1.7777 1.8429 1.8534 2.2218 2.2458 2.6628 2.6649 3.3246 3.3269 3.6184 3.6220 10.5586 10.5621 11.6643 11.7277 12.5436 12.6109 13.0904 13.1163 k = 0.2546 0.5840 0.2566 ( 8308 PWs) bands (ev): -38.5449 -38.5449 -15.2145 -15.2107 -14.2524 -14.2501 -13.4746 -13.4685 -13.3531 -13.3447 -4.0790 -4.0759 -2.4772 -2.4578 -1.5694 -1.5499 -0.9921 -0.9660 0.3350 0.3495 0.7023 0.7101 1.7630 1.7748 1.8625 1.8733 2.2203 2.2437 2.6862 2.6884 3.3162 3.3184 3.6161 3.6195 10.5329 10.5364 11.7055 11.7694 12.5659 12.6335 13.1242 13.1495 k = 0.2418 0.5799 0.2622 ( 8308 PWs) bands (ev): -38.5449 -38.5449 -15.2311 -15.2275 -14.2383 -14.2359 -13.4707 -13.4647 -13.3464 -13.3379 -4.1112 -4.1081 -2.4574 -2.4382 -1.5883 -1.5688 -0.9979 -0.9720 0.3336 0.3474 0.7109 0.7191 1.7592 1.7702 1.8829 1.8938 2.2185 2.2412 2.7085 2.7107 3.3081 3.3101 3.6140 3.6173 10.5074 10.5109 11.7489 11.8132 12.5881 12.6560 13.1578 13.1824 k = 0.2291 0.5758 0.2678 ( 8317 PWs) bands (ev): -38.5449 -38.5449 -15.2475 -15.2441 -14.2246 -14.2222 -13.4666 -13.4607 -13.3393 -13.3309 -4.1435 -4.1404 -2.4377 -2.4189 -1.6063 -1.5869 -1.0045 -0.9788 0.3334 0.3464 0.7200 0.7286 1.7539 1.7642 1.9039 1.9150 2.2166 2.2385 2.7292 2.7315 3.3004 3.3023 3.6121 3.6152 10.4824 10.4858 11.7941 11.8588 12.6103 12.6784 13.1909 13.2149 k = 0.2164 0.5716 0.2734 ( 8308 PWs) bands (ev): -38.5449 -38.5449 -15.2636 -15.2603 -14.2116 -14.2091 -13.4622 -13.4565 -13.3320 -13.3237 -4.1755 -4.1725 -2.4186 -2.4002 -1.6229 -1.6037 -1.0119 -0.9864 0.3342 0.3465 0.7295 0.7383 1.7473 1.7570 1.9255 1.9366 2.2146 2.2356 2.7481 2.7505 3.2932 3.2949 3.6106 3.6136 10.4579 10.4612 11.8407 11.9058 12.6325 12.7007 13.2236 13.2468 k = 0.2036 0.5675 0.2791 ( 8322 PWs) bands (ev): -38.5449 -38.5449 -15.2792 -15.2761 -14.1993 -14.1968 -13.4578 -13.4521 -13.3245 -13.3163 -4.2071 -4.2041 -2.4004 -2.3825 -1.6380 -1.6190 -1.0199 -0.9947 0.3361 0.3475 0.7391 0.7482 1.7397 1.7488 1.9473 1.9586 2.2127 2.2328 2.7648 2.7674 3.2864 3.2879 3.6095 3.6124 10.4343 10.4375 11.8883 11.9537 12.6547 12.7229 13.2557 13.2781 k = 0.1909 0.5634 0.2847 ( 8316 PWs) bands (ev): -38.5449 -38.5449 -15.2943 -15.2914 -14.1877 -14.1852 -13.4532 -13.4478 -13.3168 -13.3088 -4.2379 -4.2350 -2.3834 -2.3662 -1.6512 -1.6324 -1.0285 -1.0037 0.3388 0.3494 0.7487 0.7581 1.7311 1.7398 1.9694 1.9806 2.2112 2.2303 2.7790 2.7820 3.2802 3.2815 3.6090 3.6118 10.4116 10.4147 11.9366 12.0020 12.6771 12.7450 13.2872 13.3087 k = 0.1782 0.5593 0.2903 ( 8325 PWs) bands (ev): -38.5449 -38.5449 -15.3087 -15.3060 -14.1770 -14.1745 -13.4487 -13.4435 -13.3090 -13.3012 -4.2677 -4.2649 -2.3678 -2.3514 -1.6623 -1.6438 -1.0376 -1.0133 0.3423 0.3520 0.7582 0.7677 1.7217 1.7301 1.9912 2.0024 2.2103 2.2284 2.7906 2.7940 3.2746 3.2757 3.6091 3.6118 10.3900 10.3930 11.9851 12.0504 12.6997 12.7672 13.3180 13.3386 k = 0.1655 0.5552 0.2959 ( 8332 PWs) bands (ev): -38.5449 -38.5449 -15.3223 -15.3198 -14.1671 -14.1647 -13.4443 -13.4393 -13.3011 -13.2936 -4.2963 -4.2936 -2.3539 -2.3383 -1.6711 -1.6530 -1.0471 -1.0233 0.3463 0.3552 0.7675 0.7771 1.7118 1.7200 2.0125 2.0236 2.2105 2.2274 2.7994 2.8033 3.2696 3.2704 3.6097 3.6123 10.3697 10.3725 12.0333 12.0981 12.7226 12.7895 13.3481 13.3677 k = 0.1527 0.5510 0.3015 ( 8330 PWs) bands (ev): -38.5449 -38.5449 -15.3352 -15.3329 -14.1580 -14.1558 -13.4399 -13.4353 -13.2933 -13.2861 -4.3235 -4.3209 -2.3419 -2.3272 -1.6775 -1.6599 -1.0569 -1.0338 0.3508 0.3589 0.7765 0.7861 1.7016 1.7095 2.0327 2.0434 2.2123 2.2279 2.8054 2.8097 3.2652 3.2659 3.6110 3.6135 10.3506 10.3532 12.0807 12.1446 12.7461 12.8119 13.3772 13.3959 k = 0.1400 0.5469 0.3071 ( 8328 PWs) bands (ev): -38.5449 -38.5449 -15.3472 -15.3451 -14.1498 -14.1477 -13.4358 -13.4314 -13.2856 -13.2788 -4.3491 -4.3467 -2.3317 -2.3181 -1.6814 -1.6644 -1.0668 -1.0446 0.3556 0.3629 0.7851 0.7947 1.6912 1.6989 2.0511 2.0612 2.2163 2.2304 2.8085 2.8132 3.2615 3.2621 3.6128 3.6152 10.3330 10.3354 12.1269 12.1893 12.7704 12.8346 13.4055 13.4231 k = 0.1273 0.5428 0.3127 ( 8324 PWs) bands (ev): -38.5449 -38.5449 -15.3583 -15.3564 -14.1425 -14.1405 -13.4319 -13.4279 -13.2780 -13.2717 -4.3730 -4.3708 -2.3233 -2.3109 -1.6831 -1.6668 -1.0768 -1.0555 0.3605 0.3670 0.7933 0.8026 1.6808 1.6883 2.0670 2.0762 2.2232 2.2355 2.8089 2.8140 3.2583 3.2589 3.6151 3.6174 10.3167 10.3190 12.1713 12.2316 12.7954 12.8575 13.4329 13.4493 k = 0.1145 0.5387 0.3183 ( 8326 PWs) bands (ev): -38.5449 -38.5449 -15.3684 -15.3667 -14.1359 -14.1341 -13.4282 -13.4245 -13.2708 -13.2650 -4.3951 -4.3930 -2.3167 -2.3055 -1.6826 -1.6672 -1.0866 -1.0665 0.3655 0.3712 0.8011 0.8100 1.6708 1.6780 2.0798 2.0879 2.2333 2.2437 2.8068 2.8121 3.2558 3.2564 3.6177 3.6198 10.3020 10.3040 12.2134 12.2706 12.8214 12.8806 13.4592 13.4744 k = 0.1018 0.5346 0.3239 ( 8327 PWs) bands (ev): -38.5449 -38.5449 -15.3776 -15.3760 -14.1302 -14.1285 -13.4248 -13.4216 -13.2640 -13.2587 -4.4151 -4.4132 -2.3117 -2.3017 -1.6804 -1.6659 -1.0961 -1.0774 0.3703 0.3754 0.8082 0.8167 1.6612 1.6680 2.0893 2.0963 2.2463 2.2549 2.8025 2.8080 3.2539 3.2545 3.6206 3.6225 10.2887 10.2906 12.2525 12.3060 12.8482 12.9038 13.4844 13.4984 k = 0.0891 0.5305 0.3295 ( 8332 PWs) bands (ev): -38.5449 -38.5449 -15.3857 -15.3843 -14.1252 -14.1237 -13.4218 -13.4189 -13.2576 -13.2530 -4.4330 -4.4313 -2.3080 -2.2993 -1.6767 -1.6634 -1.1051 -1.0880 0.3750 0.3793 0.8148 0.8226 1.6523 1.6586 2.0958 2.1018 2.2615 2.2687 2.7965 2.8020 3.2525 3.2531 3.6235 3.6253 10.2770 10.2786 12.2884 12.3371 12.8755 12.9266 13.5085 13.5212 k = 0.0764 0.5263 0.3351 ( 8331 PWs) bands (ev): -38.5449 -38.5449 -15.3928 -15.3916 -14.1209 -14.1196 -13.4191 -13.4166 -13.2519 -13.2479 -4.4487 -4.4473 -2.3054 -2.2980 -1.6721 -1.6601 -1.1134 -1.0980 0.3793 0.3829 0.8208 0.8278 1.6443 1.6499 2.1000 2.1050 2.2778 2.2839 2.7893 2.7946 3.2515 3.2521 3.6264 3.6280 10.2669 10.2683 12.3205 12.3637 12.9029 12.9485 13.5313 13.5425 k = 0.0636 0.5222 0.3407 ( 8327 PWs) bands (ev): -38.5449 -38.5449 -15.3988 -15.3978 -14.1173 -14.1162 -13.4167 -13.4146 -13.2468 -13.2434 -4.4621 -4.4609 -2.3037 -2.2975 -1.6669 -1.6565 -1.1206 -1.1074 0.3831 0.3861 0.8260 0.8321 1.6373 1.6422 2.1024 2.1067 2.2943 2.2995 2.7814 2.7863 3.2508 3.2514 3.6292 3.6305 10.2583 10.2595 12.3485 12.3855 12.9294 12.9689 13.5526 13.5622 k = 0.0509 0.5181 0.3463 ( 8317 PWs) bands (ev): -38.5449 -38.5449 -15.4037 -15.4029 -14.1144 -14.1135 -13.4148 -13.4131 -13.2425 -13.2398 -4.4732 -4.4722 -2.3025 -2.2977 -1.6616 -1.6529 -1.1267 -1.1157 0.3865 0.3888 0.8305 0.8356 1.6314 1.6355 2.1039 2.1073 2.3097 2.3141 2.7736 2.7779 3.2504 3.2510 3.6316 3.6327 10.2513 10.2522 12.3723 12.4025 12.9542 12.9867 13.5718 13.5798 k = 0.0382 0.5140 0.3519 ( 8317 PWs) bands (ev): -38.5449 -38.5449 -15.4075 -15.4069 -14.1121 -14.1115 -13.4132 -13.4119 -13.2390 -13.2369 -4.4818 -4.4811 -2.3018 -2.2981 -1.6567 -1.6500 -1.1314 -1.1229 0.3892 0.3909 0.8342 0.8381 1.6269 1.6300 2.1047 2.1073 2.3232 2.3267 2.7666 2.7701 3.2502 3.2507 3.6337 3.6345 10.2459 10.2466 12.3917 12.4147 12.9761 13.0011 13.5885 13.5947 k = 0.0255 0.5099 0.3575 ( 8322 PWs) bands (ev): -38.5449 -38.5449 -15.4102 -15.4098 -14.1105 -14.1101 -13.4120 -13.4111 -13.2364 -13.2350 -4.4880 -4.4875 -2.3012 -2.2988 -1.6525 -1.6480 -1.1344 -1.1286 0.3912 0.3924 0.8371 0.8398 1.6237 1.6259 2.1053 2.1070 2.3338 2.3362 2.7612 2.7637 3.2502 3.2505 3.6353 3.6358 10.2420 10.2425 12.4067 12.4222 12.9941 13.0110 13.6018 13.6061 k = 0.0127 0.5057 0.3631 ( 8326 PWs) bands (ev): -38.5449 -38.5449 -15.4118 -15.4116 -14.1095 -14.1093 -13.4112 -13.4107 -13.2346 -13.2339 -4.4916 -4.4914 -2.3006 -2.2994 -1.6494 -1.6471 -1.1357 -1.1327 0.3926 0.3932 0.8392 0.8405 1.6220 1.6231 2.1057 2.1066 2.3408 2.3421 2.7579 2.7592 3.2502 3.2503 3.6363 3.6366 10.2398 10.2400 12.4173 12.4250 13.0070 13.0156 13.6108 13.6129 k = 0.0000 0.5016 0.3687 ( 8324 PWs) bands (ev): -38.5449 -38.5449 -15.4123 -15.4123 -14.1091 -14.1091 -13.4107 -13.4107 -13.2338 -13.2338 -4.4928 -4.4928 -2.3001 -2.3001 -1.6476 -1.6476 -1.1351 -1.1351 0.3933 0.3933 0.8403 0.8403 1.6218 1.6218 2.1061 2.1061 2.3437 2.3437 2.7572 2.7572 3.2502 3.2502 3.6368 3.6368 10.2391 10.2391 12.4234 12.4234 13.0143 13.0143 13.6146 13.6146 k = 0.0000 0.5016 0.3687 ( 8324 PWs) bands (ev): -38.5449 -38.5449 -15.4123 -15.4123 -14.1091 -14.1091 -13.4107 -13.4107 -13.2338 -13.2338 -4.4928 -4.4928 -2.3001 -2.3001 -1.6476 -1.6476 -1.1351 -1.1351 0.3933 0.3933 0.8403 0.8403 1.6218 1.6218 2.1061 2.1061 2.3437 2.3437 2.7572 2.7572 3.2502 3.2502 3.6368 3.6368 10.2391 10.2391 12.4234 12.4234 13.0143 13.0143 13.6146 13.6146 k = 0.0071 0.4939 0.3792 ( 8320 PWs) bands (ev): -38.5449 -38.5449 -15.4119 -15.4117 -14.1096 -14.1093 -13.4112 -13.4106 -13.2341 -13.2339 -4.4924 -4.4922 -2.3039 -2.3006 -1.6482 -1.6449 -1.1354 -1.1342 0.3921 0.3934 0.8404 0.8416 1.6213 1.6226 2.1058 2.1067 2.3443 2.3454 2.7569 2.7572 3.2501 3.2506 3.6363 3.6365 10.2393 10.2395 12.4225 12.4242 13.0134 13.0162 13.6105 13.6131 k = 0.0143 0.4861 0.3898 ( 8326 PWs) bands (ev): -38.5449 -38.5449 -15.4105 -15.4101 -14.1109 -14.1103 -13.4121 -13.4107 -13.2346 -13.2342 -4.4911 -4.4906 -2.3121 -2.3056 -1.6467 -1.6403 -1.1350 -1.1326 0.3901 0.3926 0.8418 0.8444 1.6209 1.6235 2.1057 2.1075 2.3473 2.3496 2.7565 2.7571 3.2501 3.2512 3.6350 3.6354 10.2400 10.2405 12.4216 12.4249 13.0138 13.0194 13.6010 13.6061 k = 0.0214 0.4784 0.4003 ( 8334 PWs) bands (ev): -38.5449 -38.5449 -15.4081 -15.4075 -14.1129 -14.1120 -13.4132 -13.4111 -13.2355 -13.2349 -4.4889 -4.4882 -2.3243 -2.3148 -1.6432 -1.6338 -1.1341 -1.1305 0.3872 0.3909 0.8447 0.8484 1.6208 1.6247 2.1060 2.1085 2.3527 2.3559 2.7559 2.7567 3.2504 3.2520 3.6329 3.6336 10.2413 10.2421 12.4206 12.4256 13.0152 13.0236 13.5867 13.5940 k = 0.0286 0.4707 0.4108 ( 8340 PWs) bands (ev): -38.5449 -38.5449 -15.4047 -15.4039 -14.1157 -14.1146 -13.4146 -13.4119 -13.2367 -13.2358 -4.4858 -4.4848 -2.3404 -2.3281 -1.6379 -1.6259 -1.1326 -1.1279 0.3838 0.3887 0.8488 0.8537 1.6208 1.6258 2.1070 2.1100 2.3601 2.3642 2.7551 2.7562 3.2510 3.2531 3.6301 3.6310 10.2432 10.2442 12.4197 12.4264 13.0176 13.0289 13.5683 13.5775 k = 0.0357 0.4629 0.4214 ( 8340 PWs) bands (ev): -38.5449 -38.5449 -15.4004 -15.3994 -14.1193 -14.1179 -13.4162 -13.4128 -13.2381 -13.2371 -4.4817 -4.4805 -2.3598 -2.3451 -1.6311 -1.6168 -1.1307 -1.1248 0.3801 0.3860 0.8541 0.8600 1.6208 1.6269 2.1086 2.1120 2.3694 2.3741 2.7541 2.7554 3.2518 3.2544 3.6265 3.6276 10.2456 10.2470 12.4189 12.4272 13.0210 13.0353 13.5465 13.5574 k = 0.0429 0.4552 0.4319 ( 8338 PWs) bands (ev): -38.5449 -38.5449 -15.3951 -15.3939 -14.1236 -14.1220 -13.4181 -13.4140 -13.2399 -13.2386 -4.4767 -4.4753 -2.3823 -2.3654 -1.6232 -1.6067 -1.1284 -1.1215 0.3764 0.3833 0.8604 0.8673 1.6208 1.6279 2.1113 2.1147 2.3802 2.3855 2.7529 2.7544 3.2529 3.2560 3.6223 3.6236 10.2486 10.2502 12.4182 12.4281 13.0252 13.0425 13.5219 13.5344 k = 0.0500 0.4474 0.4424 ( 8334 PWs) bands (ev): -38.5449 -38.5449 -15.3888 -15.3874 -14.1288 -14.1269 -13.4201 -13.4154 -13.2419 -13.2405 -4.4708 -4.4691 -2.4075 -2.3887 -1.6143 -1.5961 -1.1261 -1.1180 0.3731 0.3809 0.8676 0.8754 1.6206 1.6286 2.1149 2.1182 2.3923 2.3980 2.7516 2.7532 3.2544 3.2579 3.6173 3.6188 10.2522 10.2540 12.4179 12.4293 13.0300 13.0505 13.4954 13.5093 k = 0.0571 0.4397 0.4530 ( 8330 PWs) bands (ev): -38.5449 -38.5449 -15.3817 -15.3800 -14.1347 -14.1327 -13.4222 -13.4170 -13.2443 -13.2426 -4.4640 -4.4621 -2.4350 -2.4146 -1.6048 -1.5852 -1.1237 -1.1145 0.3704 0.3791 0.8757 0.8843 1.6202 1.6290 2.1195 2.1225 2.4054 2.4114 2.7500 2.7518 3.2563 3.2601 3.6117 3.6134 10.2563 10.2584 12.4178 12.4308 13.0353 13.0591 13.4673 13.4826 k = 0.0643 0.4319 0.4635 ( 8330 PWs) bands (ev): -38.5449 -38.5449 -15.3736 -15.3717 -14.1415 -14.1393 -13.4244 -13.4186 -13.2469 -13.2450 -4.4563 -4.4541 -2.4645 -2.4428 -1.5949 -1.5741 -1.1214 -1.1113 0.3689 0.3784 0.8845 0.8938 1.6194 1.6289 2.1253 2.1277 2.4193 2.4254 2.7481 2.7502 3.2586 3.2628 3.6054 3.6074 10.2609 10.2632 12.4183 12.4328 13.0409 13.0681 13.4381 13.4550 k = 0.0714 0.4242 0.4740 ( 8328 PWs) bands (ev): -38.5449 -38.5449 -15.3646 -15.3626 -14.1491 -14.1467 -13.4266 -13.4202 -13.2498 -13.2477 -4.4476 -4.4453 -2.4957 -2.4729 -1.5849 -1.5631 -1.1196 -1.1084 0.3687 0.3789 0.8938 0.9038 1.6183 1.6283 2.1319 2.1337 2.4336 2.4398 2.7461 2.7482 3.2613 3.2658 3.5986 3.6007 10.2660 10.2686 12.4194 12.4354 13.0463 13.0773 13.4083 13.4270 k = 0.0786 0.4165 0.4846 ( 8332 PWs) bands (ev): -38.5449 -38.5449 -15.3548 -15.3525 -14.1576 -14.1550 -13.4287 -13.4219 -13.2530 -13.2507 -4.4381 -4.4356 -2.5283 -2.5045 -1.5748 -1.5523 -1.1182 -1.1061 0.3702 0.3811 0.9037 0.9142 1.6168 1.6272 2.1393 2.1403 2.4483 2.4545 2.7438 2.7460 3.2646 3.2694 3.5912 3.5936 10.2716 10.2744 12.4212 12.4387 13.0514 13.0864 13.3783 13.3990 k = 0.0857 0.4087 0.4951 ( 8336 PWs) bands (ev): -38.5449 -38.5449 -15.3442 -15.3417 -14.1668 -14.1642 -13.4308 -13.4235 -13.2564 -13.2539 -4.4278 -4.4251 -2.5622 -2.5376 -1.5650 -1.5419 -1.1175 -1.1045 0.3736 0.3853 0.9140 0.9250 1.6149 1.6256 2.1470 2.1475 2.4631 2.4692 2.7413 2.7436 3.2685 3.2734 3.5833 3.5859 10.2777 10.2807 12.4238 12.4429 13.0556 13.0951 13.3483 13.3716 k = 0.0929 0.4010 0.5056 ( 8328 PWs) bands (ev): -38.5449 -38.5449 -15.3327 -15.3301 -14.1769 -14.1742 -13.4327 -13.4249 -13.2601 -13.2574 -4.4166 -4.4138 -2.5969 -2.5716 -1.5553 -1.5318 -1.1176 -1.1039 0.3792 0.3915 0.9247 0.9361 1.6125 1.6235 2.1543 2.1557 2.4780 2.4839 2.7385 2.7409 3.2730 3.2780 3.5751 3.5778 10.2841 10.2873 12.4273 12.4479 13.0586 13.1027 13.3191 13.3453 k = 0.1000 0.3932 0.5162 ( 8326 PWs) bands (ev): -38.5449 -38.5449 -15.3206 -15.3177 -14.1879 -14.1850 -13.4344 -13.4262 -13.2640 -13.2611 -4.4046 -4.4017 -2.6324 -2.6066 -1.5460 -1.5222 -1.1187 -1.1042 0.3872 0.4001 0.9356 0.9474 1.6098 1.6209 2.1615 2.1640 2.4927 2.4985 2.7354 2.7379 3.2782 3.2832 3.5664 3.5693 10.2909 10.2943 12.4319 12.4541 13.0596 13.1086 13.2912 13.3205 k = 0.1071 0.3855 0.5267 ( 8332 PWs) bands (ev): -38.5449 -38.5449 -15.3078 -15.3046 -14.1995 -14.1967 -13.4358 -13.4273 -13.2682 -13.2651 -4.3918 -4.3888 -2.6684 -2.6421 -1.5370 -1.5130 -1.1209 -1.1056 0.3976 0.4111 0.9468 0.9589 1.6066 1.6178 2.1682 2.1720 2.5072 2.5128 2.7322 2.7347 3.2840 3.2890 3.5574 3.5605 10.2981 10.3017 12.4377 12.4614 13.0581 13.1116 13.2657 13.2979 k = 0.1143 0.3777 0.5373 ( 8340 PWs) bands (ev): -38.5449 -38.5449 -15.2943 -15.2910 -14.2120 -14.2091 -13.4369 -13.4281 -13.2725 -13.2692 -4.3784 -4.3753 -2.7048 -2.6780 -1.5283 -1.5043 -1.1241 -1.1082 0.4104 0.4247 0.9581 0.9705 1.6032 1.6143 2.1743 2.1794 2.5215 2.5268 2.7288 2.7314 3.2904 3.2954 3.5482 3.5515 10.3055 10.3093 12.4447 12.4700 13.0536 13.1103 13.2441 13.2780 k = 0.1214 0.3700 0.5478 ( 8338 PWs) bands (ev): -38.5449 -38.5449 -15.2802 -15.2767 -14.2251 -14.2223 -13.4377 -13.4286 -13.2771 -13.2736 -4.3642 -4.3611 -2.7413 -2.7142 -1.5200 -1.4960 -1.1286 -1.1121 0.4258 0.4407 0.9695 0.9821 1.5994 1.6105 2.1794 2.1859 2.5353 2.5404 2.7253 2.7280 3.2975 3.3024 3.5389 3.5423 10.3131 10.3171 12.4530 12.4799 13.0455 13.1030 13.2277 13.2611 k = 0.1286 0.3623 0.5583 ( 8332 PWs) bands (ev): -38.5449 -38.5449 -15.2657 -15.2619 -14.2389 -14.2362 -13.4382 -13.4288 -13.2819 -13.2782 -4.3495 -4.3463 -2.7778 -2.7503 -1.5120 -1.4881 -1.1341 -1.1171 0.4436 0.4592 0.9809 0.9937 1.5954 1.6064 2.1833 2.1912 2.5487 2.5535 2.7220 2.7247 3.3051 3.3099 3.5294 3.5330 10.3209 10.3250 12.4627 12.4912 13.0338 13.0893 13.2170 13.2471 k = 0.1357 0.3545 0.5689 ( 8328 PWs) bands (ev): -38.5448 -38.5448 -15.2507 -15.2467 -14.2533 -14.2506 -13.4382 -13.4286 -13.2869 -13.2830 -4.3342 -4.3310 -2.8141 -2.7863 -1.5043 -1.4806 -1.1408 -1.1233 0.4636 0.4800 0.9921 1.0051 1.5911 1.6021 2.1859 2.1951 2.5614 2.5659 2.7189 2.7217 3.3132 3.3178 3.5200 3.5237 10.3287 10.3331 12.4737 12.5041 13.0189 13.0703 13.2108 13.2358 k = 0.1429 0.3468 0.5794 ( 8328 PWs) bands (ev): -38.5448 -38.5448 -15.2354 -15.2312 -14.2682 -14.2656 -13.4379 -13.4281 -13.2920 -13.2880 -4.3185 -4.3153 -2.8499 -2.8219 -1.4968 -1.4734 -1.1486 -1.1306 0.4857 0.5029 1.0032 1.0163 1.5867 1.5975 2.1868 2.1974 2.5733 2.5775 2.7164 2.7192 3.3217 3.3261 3.5106 3.5144 10.3366 10.3411 12.4861 12.5184 13.0016 13.0480 13.2070 13.2262 k = 0.1500 0.3390 0.5899 ( 8334 PWs) bands (ev): -38.5448 -38.5448 -15.2198 -15.2154 -14.2834 -14.2810 -13.4372 -13.4272 -13.2972 -13.2930 -4.3025 -4.2992 -2.8852 -2.8569 -1.4895 -1.4664 -1.1573 -1.1389 0.5097 0.5277 1.0140 1.0272 1.5822 1.5927 2.1861 2.1981 2.5840 2.5878 2.7147 2.7175 3.3304 3.3346 3.5014 3.5054 10.3444 10.3491 12.4999 12.5342 12.9825 13.0242 13.2037 13.2177 k = 0.1571 0.3313 0.6005 ( 8330 PWs) bands (ev): -38.5448 -38.5448 -15.2041 -15.1994 -14.2989 -14.2967 -13.4360 -13.4259 -13.3026 -13.2983 -4.2862 -4.2830 -2.9197 -2.8912 -1.4823 -1.4596 -1.1668 -1.1481 0.5352 0.5542 1.0244 1.0377 1.5776 1.5879 2.1837 2.1970 2.5932 2.5967 2.7143 2.7170 3.3392 3.3432 3.4925 3.4966 10.3521 10.3570 12.5150 12.5515 12.9625 13.0001 13.1997 13.2095 k = 0.1643 0.3235 0.6110 ( 8328 PWs) bands (ev): -38.5448 -38.5448 -15.1884 -15.1835 -14.3146 -14.3125 -13.4345 -13.4243 -13.3081 -13.3036 -4.2698 -4.2667 -2.9532 -2.9244 -1.4752 -1.4529 -1.1771 -1.1580 0.5618 0.5819 1.0343 1.0476 1.5729 1.5830 2.1796 2.1942 2.6007 2.6037 2.7155 2.7181 3.3478 3.3517 3.4840 3.4882 10.3596 10.3646 12.5312 12.5701 12.9423 12.9763 13.1942 13.2013 k = 0.1714 0.3158 0.6215 ( 8324 PWs) bands (ev): -38.5448 -38.5448 -15.1728 -15.1676 -14.3302 -14.3283 -13.4326 -13.4222 -13.3137 -13.3091 -4.2535 -4.2505 -2.9855 -2.9565 -1.4681 -1.4464 -1.1879 -1.1686 0.5893 0.6105 1.0436 1.0570 1.5682 1.5780 2.1741 2.1900 2.6062 2.6088 2.7185 2.7208 3.3562 3.3600 3.4759 3.4803 10.3669 10.3720 12.5485 12.5901 12.9225 12.9535 13.1865 13.1926 k = 0.1786 0.3081 0.6321 ( 8326 PWs) bands (ev): -38.5448 -38.5448 -15.1575 -15.1521 -14.3456 -14.3440 -13.4303 -13.4199 -13.3193 -13.3146 -4.2374 -4.2345 -3.0164 -2.9871 -1.4611 -1.4400 -1.1991 -1.1795 0.6172 0.6395 1.0522 1.0655 1.5635 1.5731 2.1673 2.1843 2.6097 2.6119 2.7231 2.7253 3.3640 3.3678 3.4685 3.4731 10.3738 10.3790 12.5665 12.6113 12.9035 12.9321 13.1765 13.1832 k = 0.1857 0.3003 0.6426 ( 8328 PWs) bands (ev): -38.5448 -38.5448 -15.1426 -15.1370 -14.3607 -14.3592 -13.4277 -13.4171 -13.3249 -13.3202 -4.2217 -4.2190 -3.0456 -3.0161 -1.4540 -1.4337 -1.2104 -1.1907 0.6450 0.6686 1.0600 1.0732 1.5590 1.5683 2.1595 2.1776 2.6115 2.6133 2.7291 2.7311 3.3709 3.3750 3.4619 3.4668 10.3802 10.3855 12.5850 12.6334 12.8857 12.9126 13.1646 13.1724 k = 0.1929 0.2926 0.6531 ( 8336 PWs) bands (ev): -38.5448 -38.5448 -15.1285 -15.1226 -14.3751 -14.3739 -13.4247 -13.4141 -13.3305 -13.3257 -4.2067 -4.2042 -3.0728 -3.0431 -1.4469 -1.4274 -1.2218 -1.2019 0.6722 0.6971 1.0668 1.0800 1.5546 1.5636 2.1510 2.1701 2.6119 2.6135 2.7359 2.7378 3.3768 3.3813 3.4562 3.4616 10.3862 10.3916 12.6035 12.6561 12.8695 12.8953 13.1511 13.1599 k = 0.2000 0.2848 0.6637 ( 8328 PWs) bands (ev): -38.5448 -38.5448 -15.1151 -15.1090 -14.3887 -14.3877 -13.4215 -13.4109 -13.3360 -13.3313 -4.1926 -4.1902 -3.0978 -3.0678 -1.4397 -1.4214 -1.2330 -1.2129 0.6983 0.7246 1.0726 1.0858 1.5504 1.5591 2.1421 2.1622 2.6113 2.6129 2.7431 2.7449 3.3814 3.3865 3.4517 3.4576 10.3917 10.3972 12.6215 12.6792 12.8551 12.8807 13.1363 13.1459 k = 0.2071 0.2771 0.6742 ( 8332 PWs) bands (ev): -38.5448 -38.5448 -15.1029 -15.0966 -14.4012 -14.4004 -13.4182 -13.4074 -13.3414 -13.3367 -4.1796 -4.1774 -3.1203 -3.0901 -1.4327 -1.4155 -1.2437 -1.2236 0.7227 0.7505 1.0774 1.0905 1.5465 1.5550 2.1333 2.1542 2.6102 2.6117 2.7503 2.7519 3.3847 3.3904 3.4485 3.4550 10.3965 10.4021 12.6383 12.7020 12.8428 12.8695 13.1205 13.1307 k = 0.2143 0.2693 0.6847 ( 8330 PWs) bands (ev): -38.5448 -38.5448 -15.0920 -15.0854 -14.4124 -14.4118 -13.4147 -13.4037 -13.3465 -13.3421 -4.1680 -4.1660 -3.1400 -3.1096 -1.4257 -1.4102 -1.2537 -1.2336 0.7449 0.7741 1.0811 1.0942 1.5430 1.5512 2.1250 2.1466 2.6088 2.6104 2.7569 2.7584 3.3866 3.3929 3.4466 3.4535 10.4007 10.4063 12.6533 12.7237 12.8327 12.8619 13.1043 13.1147 k = 0.2214 0.2616 0.6953 ( 8340 PWs) bands (ev): -38.5448 -38.5448 -15.0826 -15.0759 -14.4219 -14.4216 -13.4112 -13.4001 -13.3513 -13.3471 -4.1581 -4.1562 -3.1566 -3.1260 -1.4191 -1.4054 -1.2627 -1.2427 0.7641 0.7948 1.0838 1.0970 1.5400 1.5480 2.1175 2.1398 2.6075 2.6091 2.7628 2.7641 3.3875 3.3942 3.4458 3.4530 10.4042 10.4099 12.6656 12.7431 12.8255 12.8582 13.0884 13.0986 k = 0.2286 0.2539 0.7058 ( 8348 PWs) bands (ev): -38.5448 -38.5448 -15.0751 -15.0682 -14.4297 -14.4295 -13.4080 -13.3966 -13.3555 -13.3518 -4.1500 -4.1484 -3.1698 -3.1390 -1.4130 -1.4016 -1.2702 -1.2505 0.7799 0.8118 1.0857 1.0989 1.5375 1.5453 2.1113 2.1340 2.6063 2.6080 2.7677 2.7688 3.3877 3.3946 3.4458 3.4532 10.4069 10.4127 12.6749 12.7586 12.8218 12.8579 13.0737 13.0836 k = 0.2357 0.2461 0.7163 ( 8356 PWs) bands (ev): -38.5448 -38.5448 -15.0695 -15.0625 -14.4354 -14.4353 -13.4052 -13.3935 -13.3588 -13.3559 -4.1441 -4.1426 -3.1795 -3.1485 -1.4077 -1.3991 -1.2759 -1.2566 0.7917 0.8245 1.0868 1.1001 1.5357 1.5433 2.1066 2.1297 2.6054 2.6071 2.7713 2.7722 3.3876 3.3946 3.4462 3.4535 10.4089 10.4147 12.6813 12.7686 12.8219 12.8598 13.0615 13.0709 k = 0.2429 0.2384 0.7269 ( 8348 PWs) bands (ev): -38.5448 -38.5448 -15.0661 -15.0590 -14.4389 -14.4389 -13.4033 -13.3913 -13.3608 -13.3590 -4.1405 -4.1390 -3.1853 -3.1543 -1.4039 -1.3979 -1.2795 -1.2604 0.7989 0.8325 1.0874 1.1007 1.5346 1.5421 2.1036 2.1270 2.6048 2.6065 2.7736 2.7742 3.3874 3.3944 3.4465 3.4539 10.4101 10.4159 12.6848 12.7733 12.8242 12.8621 13.0534 13.0624 k = 0.2500 0.2306 0.7374 ( 8356 PWs) bands (ev): -38.5448 -38.5448 -15.0649 -15.0578 -14.4401 -14.4401 -13.4026 -13.3905 -13.3613 -13.3603 -4.1393 -4.1378 -3.1873 -3.1563 -1.4023 -1.3977 -1.2807 -1.2618 0.8014 0.8351 1.0875 1.1009 1.5342 1.5417 2.1026 2.1261 2.6046 2.6063 2.7743 2.7749 3.3873 3.3943 3.4466 3.4540 10.4105 10.4163 12.6859 12.7746 12.8255 12.8631 13.0504 13.0593 k = 0.2500 0.2306 0.7374 ( 8356 PWs) bands (ev): -38.5448 -38.5448 -15.0649 -15.0578 -14.4401 -14.4401 -13.4026 -13.3905 -13.3613 -13.3603 -4.1393 -4.1378 -3.1873 -3.1563 -1.4023 -1.3977 -1.2807 -1.2618 0.8014 0.8351 1.0875 1.1009 1.5342 1.5417 2.1026 2.1261 2.6046 2.6063 2.7743 2.7749 3.3873 3.3943 3.4466 3.4540 10.4105 10.4163 12.6859 12.7746 12.8255 12.8631 13.0504 13.0593 k = 0.2581 0.2381 0.7273 ( 8350 PWs) bands (ev): -38.5448 -38.5448 -15.0654 -15.0584 -14.4396 -14.4396 -13.4029 -13.3909 -13.3610 -13.3597 -4.1400 -4.1386 -3.1867 -3.1557 -1.4021 -1.3969 -1.2794 -1.2605 0.8001 0.8338 1.0853 1.0986 1.5358 1.5432 2.1019 2.1253 2.6053 2.6070 2.7742 2.7748 3.3874 3.3944 3.4468 3.4541 10.4104 10.4161 12.6811 12.7603 12.8392 12.8676 13.0522 13.0612 k = 0.2661 0.2455 0.7172 ( 8343 PWs) bands (ev): -38.5448 -38.5448 -15.0668 -15.0598 -14.4382 -14.4382 -13.4038 -13.3919 -13.3602 -13.3581 -4.1422 -4.1407 -3.1850 -3.1542 -1.4011 -1.3945 -1.2758 -1.2569 0.7962 0.8292 1.0798 1.0926 1.5396 1.5469 2.0997 2.1229 2.6075 2.6093 2.7737 2.7744 3.3878 3.3947 3.4473 3.4545 10.4099 10.4157 12.6679 12.7346 12.8624 12.8786 13.0581 13.0680 k = 0.2742 0.2529 0.7070 ( 8339 PWs) bands (ev): -38.5448 -38.5448 -15.0689 -15.0619 -14.4361 -14.4360 -13.4051 -13.3935 -13.3586 -13.3561 -4.1455 -4.1440 -3.1821 -3.1516 -1.3989 -1.3908 -1.2701 -1.2513 0.7890 0.8210 1.0725 1.0844 1.5447 1.5515 2.0959 2.1186 2.6114 2.6132 2.7730 2.7739 3.3885 3.3950 3.4482 3.4552 10.4093 10.4150 12.6494 12.7071 12.8830 12.8917 13.0697 13.0812 k = 0.2823 0.2604 0.6969 ( 8346 PWs) bands (ev): -38.5448 -38.5448 -15.0714 -15.0646 -14.4335 -14.4334 -13.4068 -13.3955 -13.3566 -13.3538 -4.1498 -4.1482 -3.1783 -3.1482 -1.3953 -1.3857 -1.2625 -1.2439 0.7783 0.8087 1.0648 1.0756 1.5497 1.5562 2.0905 2.1126 2.6169 2.6188 2.7721 2.7733 3.3893 3.3955 3.4496 3.4563 10.4086 10.4143 12.6279 12.6796 12.8970 12.9035 13.0884 13.1021 k = 0.2903 0.2678 0.6868 ( 8336 PWs) bands (ev): -38.5448 -38.5448 -15.0743 -15.0677 -14.4305 -14.4303 -13.4086 -13.3976 -13.3543 -13.3514 -4.1546 -4.1530 -3.1736 -3.1441 -1.3902 -1.3793 -1.2532 -1.2349 0.7639 0.7922 1.0578 1.0672 1.5539 1.5600 2.0834 2.1049 2.6240 2.6260 2.7712 2.7726 3.3902 3.3959 3.4516 3.4578 10.4080 10.4136 12.6047 12.6526 12.9042 12.9116 13.1145 13.1304 k = 0.2984 0.2753 0.6767 ( 8329 PWs) bands (ev): -38.5448 -38.5448 -15.0774 -15.0709 -14.4273 -14.4271 -13.4106 -13.3999 -13.3520 -13.3490 -4.1597 -4.1581 -3.1682 -3.1392 -1.3835 -1.3715 -1.2424 -1.2245 0.7459 0.7717 1.0518 1.0600 1.5568 1.5625 2.0747 2.0954 2.6324 2.6344 2.7704 2.7721 3.3911 3.3963 3.4542 3.4599 10.4076 10.4131 12.5805 12.6262 12.9062 12.9152 13.1469 13.1646 k = 0.3065 0.2827 0.6666 ( 8323 PWs) bands (ev): -38.5448 -38.5448 -15.0805 -15.0741 -14.4240 -14.4237 -13.4126 -13.4021 -13.3496 -13.3468 -4.1648 -4.1632 -3.1622 -3.1339 -1.3755 -1.3624 -1.2304 -1.2131 0.7244 0.7476 1.0468 1.0545 1.5578 1.5631 2.0646 2.0844 2.6418 2.6439 2.7698 2.7720 3.3921 3.3966 3.4574 3.4625 10.4075 10.4129 12.5557 12.6003 12.9042 12.9153 13.1838 13.2028 k = 0.3145 0.2901 0.6564 ( 8326 PWs) bands (ev): -38.5448 -38.5448 -15.0835 -15.0773 -14.4208 -14.4205 -13.4146 -13.4044 -13.3475 -13.3449 -4.1697 -4.1681 -3.1557 -3.1281 -1.3661 -1.3520 -1.2173 -1.2006 0.7000 0.7206 1.0427 1.0507 1.5568 1.5619 2.0531 2.0720 2.6517 2.6539 2.7695 2.7724 3.3930 3.3968 3.4611 3.4656 10.4078 10.4132 12.5305 12.5749 12.8995 12.9130 13.2234 13.2434 k = 0.3226 0.2976 0.6463 ( 8326 PWs) bands (ev): -38.5448 -38.5448 -15.0862 -15.0802 -14.4178 -14.4174 -13.4166 -13.4065 -13.3456 -13.3432 -4.1739 -4.1723 -3.1489 -3.1221 -1.3556 -1.3406 -1.2033 -1.1873 0.6734 0.6915 1.0391 1.0481 1.5538 1.5588 2.0404 2.0584 2.6615 2.6642 2.7700 2.7737 3.3938 3.3969 3.4654 3.4692 10.4086 10.4139 12.5048 12.5497 12.8928 12.9090 13.2642 13.2849 k = 0.3306 0.3050 0.6362 ( 8328 PWs) bands (ev): -38.5448 -38.5448 -15.0887 -15.0828 -14.4150 -14.4145 -13.4184 -13.4086 -13.3440 -13.3420 -4.1773 -4.1758 -3.1419 -3.1158 -1.3440 -1.3281 -1.1887 -1.1734 0.6450 0.6610 1.0360 1.0464 1.5488 1.5539 2.0267 2.0438 2.6706 2.6740 2.7713 2.7761 3.3946 3.3970 3.4700 3.4733 10.4101 10.4153 12.4786 12.5246 12.8847 12.9040 13.3051 13.3260 k = 0.3387 0.3125 0.6261 ( 8328 PWs) bands (ev): -38.5448 -38.5448 -15.0907 -15.0850 -14.4125 -14.4120 -13.4203 -13.4106 -13.3428 -13.3412 -4.1797 -4.1782 -3.1348 -3.1096 -1.3315 -1.3149 -1.1735 -1.1591 0.6155 0.6296 1.0332 1.0450 1.5420 1.5474 2.0122 2.0283 2.6784 2.6829 2.7739 2.7799 3.3952 3.3970 3.4750 3.4777 10.4123 10.4175 12.4519 12.4994 12.8758 12.8982 13.3448 13.3657 k = 0.3468 0.3199 0.6159 ( 8340 PWs) bands (ev): -38.5448 -38.5448 -15.0922 -15.0867 -14.4104 -14.4099 -13.4220 -13.4124 -13.3420 -13.3409 -4.1807 -4.1793 -3.1277 -3.1033 -1.3182 -1.3009 -1.1580 -1.1445 0.5855 0.5979 1.0304 1.0435 1.5337 1.5395 1.9969 2.0122 2.6845 2.6903 2.7780 2.7851 3.3958 3.3971 3.4802 3.4824 10.4154 10.4204 12.4245 12.4739 12.8663 12.8919 13.3824 13.4029 k = 0.3548 0.3273 0.6058 ( 8330 PWs) bands (ev): -38.5448 -38.5448 -15.0932 -15.0878 -14.4087 -14.4082 -13.4235 -13.4141 -13.3418 -13.3411 -4.1803 -4.1790 -3.1206 -3.0970 -1.3044 -1.2864 -1.1424 -1.1299 0.5555 0.5665 1.0274 1.0416 1.5242 1.5304 1.9810 1.9956 2.6888 2.6957 2.7837 2.7917 3.3962 3.3974 3.4854 3.4874 10.4193 10.4243 12.3964 12.4478 12.8565 12.8853 13.4167 13.4367 k = 0.3629 0.3348 0.5957 ( 8333 PWs) bands (ev): -38.5448 -38.5448 -15.0937 -15.0884 -14.4075 -14.4069 -13.4250 -13.4157 -13.3422 -13.3417 -4.1783 -4.1771 -3.1137 -3.0909 -1.2902 -1.2716 -1.1270 -1.1154 0.5259 0.5357 1.0240 1.0391 1.5136 1.5204 1.9648 1.9786 2.6913 2.6992 2.7907 2.7993 3.3966 3.3979 3.4907 3.4924 10.4241 10.4291 12.3675 12.4211 12.8465 12.8786 13.4470 13.4659 k = 0.3710 0.3422 0.5856 ( 8332 PWs) bands (ev): -38.5448 -38.5448 -15.0935 -15.0883 -14.4067 -14.4062 -13.4263 -13.4172 -13.3434 -13.3428 -4.1745 -4.1734 -3.1070 -3.0850 -1.2758 -1.2566 -1.1120 -1.1014 0.4972 0.5061 1.0199 1.0358 1.5024 1.5098 1.9483 1.9616 2.6923 2.7009 2.7985 2.8075 3.3970 3.3985 3.4959 3.4975 10.4300 10.4349 12.3377 12.3935 12.8366 12.8717 13.4721 13.4899 k = 0.3790 0.3497 0.5755 ( 8336 PWs) bands (ev): -38.5448 -38.5448 -15.0927 -15.0876 -14.4064 -14.4059 -13.4275 -13.4185 -13.3453 -13.3442 -4.1690 -4.1679 -3.1004 -3.0792 -1.2613 -1.2415 -1.0977 -1.0879 0.4697 0.4778 1.0152 1.0317 1.4909 1.4987 1.9317 1.9445 2.6921 2.7012 2.8066 2.8157 3.3975 3.3993 3.5010 3.5025 10.4368 10.4417 12.3069 12.3649 12.8267 12.8648 13.4913 13.5077 k = 0.3871 0.3571 0.5653 ( 8337 PWs) bands (ev): -38.5448 -38.5448 -15.0913 -15.0862 -14.4067 -14.4062 -13.4286 -13.4197 -13.3478 -13.3462 -4.1616 -4.1606 -3.0941 -3.0736 -1.2469 -1.2266 -1.0843 -1.0753 0.4438 0.4513 1.0096 1.0265 1.4791 1.4874 1.9152 1.9276 2.6909 2.7004 2.8145 2.8234 3.3982 3.4003 3.5058 3.5073 10.4447 10.4495 12.2751 12.3353 12.8170 12.8578 13.5039 13.5188 k = 0.3952 0.3645 0.5552 ( 8327 PWs) bands (ev): -38.5448 -38.5448 -15.0893 -15.0843 -14.4074 -14.4069 -13.4295 -13.4207 -13.3509 -13.3487 -4.1524 -4.1514 -3.0879 -3.0681 -1.2327 -1.2120 -1.0722 -1.0637 0.4197 0.4269 1.0032 1.0203 1.4674 1.4760 1.8989 1.9110 2.6888 2.6986 2.8218 2.8304 3.3991 3.4015 3.5104 3.5120 10.4535 10.4583 12.2423 12.3045 12.8074 12.8507 13.5096 13.5229 k = 0.4032 0.3720 0.5451 ( 8338 PWs) bands (ev): -38.5448 -38.5448 -15.0867 -15.0817 -14.4087 -14.4082 -13.4302 -13.4216 -13.3545 -13.3517 -4.1414 -4.1404 -3.0819 -3.0627 -1.2189 -1.1978 -1.0615 -1.0532 0.3976 0.4047 0.9961 1.0132 1.4558 1.4648 1.8830 1.8949 2.6860 2.6961 2.8279 2.8363 3.4002 3.4028 3.5148 3.5164 10.4634 10.4681 12.2087 12.2727 12.7980 12.8436 13.5082 13.5200 k = 0.4113 0.3794 0.5350 ( 8337 PWs) bands (ev): -38.5448 -38.5448 -15.0835 -15.0785 -14.4104 -14.4099 -13.4309 -13.4224 -13.3586 -13.3553 -4.1287 -4.1276 -3.0760 -3.0573 -1.2055 -1.1842 -1.0525 -1.0441 0.3778 0.3850 0.9883 1.0052 1.4444 1.4537 1.8677 1.8794 2.6826 2.6929 2.8328 2.8407 3.4015 3.4045 3.5188 3.5206 10.4741 10.4789 12.1741 12.2398 12.7887 12.8364 13.4998 13.5102 k = 0.4194 0.3869 0.5248 ( 8341 PWs) bands (ev): -38.5448 -38.5448 -15.0798 -15.0748 -14.4125 -14.4121 -13.4314 -13.4230 -13.3632 -13.3593 -4.1144 -4.1133 -3.0702 -3.0520 -1.1928 -1.1712 -1.0454 -1.0364 0.3604 0.3679 0.9800 0.9967 1.4331 1.4426 1.8531 1.8648 2.6785 2.6891 2.8362 2.8436 3.4032 3.4064 3.5225 3.5244 10.4857 10.4905 12.1389 12.2060 12.7795 12.8290 13.4848 13.4941 k = 0.4274 0.3943 0.5147 ( 8343 PWs) bands (ev): -38.5448 -38.5448 -15.0757 -15.0706 -14.4150 -14.4147 -13.4317 -13.4235 -13.3681 -13.3637 -4.0987 -4.0974 -3.0643 -3.0464 -1.1808 -1.1591 -1.0403 -1.0304 0.3455 0.3534 0.9714 0.9877 1.4219 1.4317 1.8395 1.8512 2.6739 2.6846 2.8379 2.8448 3.4052 3.4086 3.5259 3.5280 10.4981 10.5028 12.1030 12.1714 12.7702 12.8214 13.4640 13.4722 k = 0.4355 0.4017 0.5046 ( 8334 PWs) bands (ev): -38.5448 -38.5448 -15.0712 -15.0660 -14.4178 -14.4175 -13.4320 -13.4240 -13.3734 -13.3684 -4.0816 -4.0803 -3.0582 -3.0406 -1.1696 -1.1480 -1.0373 -1.0262 0.3330 0.3415 0.9629 0.9788 1.4107 1.4207 1.8270 1.8387 2.6685 2.6795 2.8378 2.8442 3.4076 3.4111 3.5290 3.5312 10.5111 10.5158 12.0668 12.1363 12.7609 12.8134 13.4382 13.4455 k = 0.4435 0.4092 0.4945 ( 8335 PWs) bands (ev): -38.5448 -38.5448 -15.0665 -15.0611 -14.4208 -14.4206 -13.4321 -13.4243 -13.3789 -13.3734 -4.0636 -4.0621 -3.0518 -3.0344 -1.1594 -1.1379 -1.0361 -1.0238 0.3230 0.3321 0.9547 0.9703 1.3993 1.4095 1.8158 1.8276 2.6625 2.6736 2.8359 2.8417 3.4103 3.4140 3.5318 3.5341 10.5245 10.5293 12.0304 12.1008 12.7513 12.8051 13.4080 13.4147 k = 0.4516 0.4166 0.4844 ( 8331 PWs) bands (ev): -38.5448 -38.5448 -15.0616 -15.0561 -14.4240 -14.4238 -13.4322 -13.4246 -13.3846 -13.3786 -4.0448 -4.0432 -3.0450 -3.0275 -1.1503 -1.1292 -1.0368 -1.0232 0.3152 0.3250 0.9473 0.9625 1.3876 1.3979 1.8061 1.8179 2.6556 2.6670 2.8321 2.8372 3.4134 3.4173 3.5343 3.5368 10.5383 10.5431 11.9941 12.0653 12.7415 12.7964 13.3745 13.3806 k = 0.4597 0.4241 0.4742 ( 8326 PWs) bands (ev): -38.5448 -38.5448 -15.0567 -15.0511 -14.4271 -14.4270 -13.4321 -13.4249 -13.3903 -13.3840 -4.0255 -4.0239 -3.0374 -3.0199 -1.1423 -1.1219 -1.0390 -1.0243 0.3095 0.3199 0.9411 0.9559 1.3754 1.3858 1.7980 1.8098 2.6479 2.6594 2.8264 2.8308 3.4169 3.4209 3.5365 3.5391 10.5523 10.5571 11.9581 12.0300 12.7314 12.7872 13.3384 13.3441 k = 0.4677 0.4315 0.4641 ( 8324 PWs) bands (ev): -38.5448 -38.5448 -15.0520 -15.0463 -14.4301 -14.4300 -13.4320 -13.4254 -13.3960 -13.3893 -4.0062 -4.0046 -3.0289 -3.0112 -1.1357 -1.1164 -1.0425 -1.0268 0.3056 0.3166 0.9364 0.9510 1.3625 1.3730 1.7916 1.8033 2.6392 2.6509 2.8189 2.8226 3.4208 3.4248 3.5384 3.5413 10.5662 10.5710 11.9229 11.9952 12.7209 12.7774 13.3004 13.3056 k = 0.4758 0.4389 0.4540 ( 8323 PWs) bands (ev): -38.5448 -38.5448 -15.0477 -15.0418 -14.4327 -14.4327 -13.4320 -13.4260 -13.4013 -13.3945 -3.9873 -3.9856 -3.0193 -3.0013 -1.1306 -1.1130 -1.0467 -1.0305 0.3032 0.3147 0.9337 0.9482 1.3490 1.3595 1.7869 1.7984 2.6294 2.6412 2.8098 2.8126 3.4249 3.4291 3.5402 3.5431 10.5797 10.5846 11.8888 11.9614 12.7099 12.7671 13.2613 13.2660 k = 0.4839 0.4464 0.4439 ( 8323 PWs) bands (ev): -38.5448 -38.5448 -15.0439 -15.0379 -14.4348 -14.4348 -13.4320 -13.4270 -13.4061 -13.3994 -3.9691 -3.9673 -3.0082 -2.9899 -1.1274 -1.1121 -1.0511 -1.0350 0.3021 0.3140 0.9334 0.9478 1.3347 1.3452 1.7839 1.7951 2.6183 2.6302 2.7992 2.8012 3.4294 3.4336 3.5416 3.5447 10.5927 10.5976 11.8561 11.9289 12.6984 12.7562 13.2215 13.2258 k = 0.4919 0.4538 0.4338 ( 8329 PWs) bands (ev): -38.5448 -38.5448 -15.0409 -15.0348 -14.4362 -14.4361 -13.4323 -13.4287 -13.4101 -13.4036 -3.9520 -3.9503 -2.9955 -2.9767 -1.1267 -1.1139 -1.0554 -1.0395 0.3019 0.3141 0.9357 0.9501 1.3196 1.3301 1.7824 1.7933 2.6057 2.6177 2.7874 2.7884 3.4340 3.4383 3.5428 3.5461 10.6049 10.6098 11.8252 11.8981 12.6864 12.7446 13.1815 13.1853 k = 0.5000 0.4613 0.4236 ( 8328 PWs) bands (ev): -38.5448 -38.5448 -15.0390 -15.0328 -14.4364 -14.4363 -13.4336 -13.4307 -13.4132 -13.4070 -3.9366 -3.9348 -2.9809 -2.9616 -1.1293 -1.1179 -1.0595 -1.0435 0.3026 0.3149 0.9409 0.9554 1.3038 1.3142 1.7825 1.7929 2.5916 2.6037 2.7743 2.7750 3.4388 3.4432 3.5438 3.5472 10.6159 10.6209 11.7964 11.8693 12.6738 12.7325 13.1418 13.1451 k = 0.5000 0.4613 0.4236 ( 8328 PWs) bands (ev): -38.5448 -38.5448 -15.0390 -15.0328 -14.4364 -14.4363 -13.4336 -13.4307 -13.4132 -13.4070 -3.9366 -3.9348 -2.9809 -2.9616 -1.1293 -1.1179 -1.0595 -1.0435 0.3026 0.3149 0.9409 0.9554 1.3038 1.3142 1.7825 1.7929 2.5916 2.6037 2.7743 2.7750 3.4388 3.4432 3.5438 3.5472 10.6159 10.6209 11.7964 11.8693 12.6738 12.7325 13.1418 13.1451 k = 0.5000 0.4613 0.4090 ( 8328 PWs) bands (ev): -38.5448 -38.5448 -15.0371 -15.0307 -14.4360 -14.4359 -13.4366 -13.4335 -13.4171 -13.4109 -3.9157 -3.9138 -2.9584 -2.9384 -1.1356 -1.1245 -1.0652 -1.0486 0.3048 0.3173 0.9508 0.9654 1.2810 1.2912 1.7835 1.7933 2.5695 2.5818 2.7528 2.7540 3.4461 3.4504 3.5450 3.5486 10.6309 10.6359 11.7572 11.8299 12.6551 12.7142 13.0843 13.0868 k = 0.5000 0.4613 0.3944 ( 8316 PWs) bands (ev): -38.5448 -38.5448 -15.0351 -15.0287 -14.4356 -14.4355 -13.4397 -13.4363 -13.4209 -13.4148 -3.8950 -3.8931 -2.9361 -2.9155 -1.1414 -1.1306 -1.0707 -1.0536 0.3088 0.3213 0.9609 0.9756 1.2593 1.2692 1.7845 1.7935 2.5467 2.5591 2.7283 2.7300 3.4537 3.4580 3.5462 3.5500 10.6460 10.6510 11.7192 11.7914 12.6357 12.6952 13.0260 13.0280 k = 0.5000 0.4613 0.3798 ( 8306 PWs) bands (ev): -38.5448 -38.5448 -15.0332 -15.0267 -14.4352 -14.4350 -13.4427 -13.4391 -13.4246 -13.4187 -3.8745 -3.8726 -2.9141 -2.8930 -1.1466 -1.1360 -1.0759 -1.0585 0.3145 0.3272 0.9714 0.9862 1.2385 1.2483 1.7854 1.7936 2.5233 2.5358 2.7009 2.7032 3.4615 3.4657 3.5473 3.5514 10.6612 10.6662 11.6826 11.7543 12.6155 12.6754 12.9671 12.9689 k = 0.5000 0.4613 0.3652 ( 8306 PWs) bands (ev): -38.5448 -38.5448 -15.0313 -15.0248 -14.4347 -14.4346 -13.4457 -13.4419 -13.4283 -13.4226 -3.8545 -3.8526 -2.8927 -2.8710 -1.1511 -1.1408 -1.0807 -1.0631 0.3222 0.3350 0.9823 0.9971 1.2188 1.2283 1.7861 1.7934 2.4991 2.5119 2.6708 2.6737 3.4694 3.4735 3.5485 3.5527 10.6765 10.6816 11.6478 11.7186 12.5944 12.6547 12.9080 12.9100 k = 0.5000 0.4613 0.3506 ( 8320 PWs) bands (ev): -38.5448 -38.5448 -15.0293 -15.0228 -14.4343 -14.4342 -13.4486 -13.4446 -13.4318 -13.4264 -3.8350 -3.8330 -2.8718 -2.8497 -1.1550 -1.1447 -1.0852 -1.0674 0.3318 0.3447 0.9936 1.0083 1.2001 1.2095 1.7868 1.7930 2.4744 2.4873 2.6380 2.6416 3.4772 3.4813 3.5497 3.5540 10.6920 10.6970 11.6147 11.6847 12.5721 12.6329 12.8489 12.8516 k = 0.5000 0.4613 0.3360 ( 8320 PWs) bands (ev): -38.5448 -38.5448 -15.0275 -15.0210 -14.4340 -14.4339 -13.4515 -13.4473 -13.4353 -13.4301 -3.8160 -3.8141 -2.8516 -2.8292 -1.1581 -1.1479 -1.0891 -1.0714 0.3435 0.3565 1.0054 1.0201 1.1825 1.1916 1.7872 1.7923 2.4491 2.4621 2.6027 2.6072 3.4849 3.4889 3.5509 3.5553 10.7077 10.7127 11.5837 11.6527 12.5485 12.6099 12.7904 12.7939 k = 0.5000 0.4613 0.3214 ( 8328 PWs) bands (ev): -38.5448 -38.5448 -15.0256 -15.0192 -14.4336 -14.4335 -13.4544 -13.4499 -13.4386 -13.4337 -3.7978 -3.7959 -2.8322 -2.8096 -1.1604 -1.1503 -1.0926 -1.0750 0.3574 0.3705 1.0176 1.0322 1.1659 1.1748 1.7873 1.7911 2.4232 2.4364 2.5651 2.5707 3.4924 3.4963 3.5521 3.5566 10.7236 10.7285 11.5547 11.6227 12.5234 12.5856 12.7326 12.7373 k = 0.5000 0.4613 0.3068 ( 8322 PWs) bands (ev): -38.5448 -38.5448 -15.0238 -15.0175 -14.4333 -14.4332 -13.4572 -13.4524 -13.4418 -13.4373 -3.7803 -3.7784 -2.8137 -2.7910 -1.1619 -1.1518 -1.0955 -1.0782 0.3734 0.3866 1.0304 1.0449 1.1505 1.1591 1.7869 1.7896 2.3967 2.4101 2.5254 2.5322 3.4997 3.5033 3.5533 3.5579 10.7398 10.7446 11.5280 11.5948 12.4967 12.5599 12.6758 12.6822 k = 0.5000 0.4613 0.2922 ( 8318 PWs) bands (ev): -38.5448 -38.5448 -15.0221 -15.0158 -14.4329 -14.4328 -13.4599 -13.4549 -13.4449 -13.4407 -3.7637 -3.7618 -2.7962 -2.7735 -1.1627 -1.1525 -1.0978 -1.0811 0.3917 0.4050 1.0437 1.0579 1.1361 1.1445 1.7860 1.7877 2.3697 2.3832 2.4837 2.4922 3.5066 3.5101 3.5545 3.5591 10.7562 10.7610 11.5035 11.5691 12.4683 12.5327 12.6204 12.6289 k = 0.5000 0.4613 0.2776 ( 8324 PWs) bands (ev): -38.5449 -38.5449 -15.0203 -15.0142 -14.4326 -14.4325 -13.4625 -13.4574 -13.4478 -13.4440 -3.7479 -3.7461 -2.7797 -2.7571 -1.1627 -1.1524 -1.0995 -1.0834 0.4123 0.4256 1.0574 1.0713 1.1231 1.1311 1.7838 1.7857 2.3419 2.3555 2.4406 2.4511 3.5131 3.5165 3.5558 3.5603 10.7730 10.7778 11.4812 11.5456 12.4379 12.5038 12.5667 12.5779 k = 0.5000 0.4613 0.2629 ( 8314 PWs) bands (ev): -38.5449 -38.5449 -15.0187 -15.0127 -14.4323 -14.4322 -13.4650 -13.4597 -13.4506 -13.4472 -3.7331 -3.7313 -2.7642 -2.7419 -1.1620 -1.1515 -1.1006 -1.0854 0.4353 0.4486 1.0712 1.0840 1.1122 1.1194 1.7804 1.7835 2.3129 2.3265 2.3965 2.4098 3.5192 3.5225 3.5570 3.5616 10.7902 10.7949 11.4612 11.5243 12.4055 12.4726 12.5153 12.5295 k = 0.5000 0.4613 0.2483 ( 8314 PWs) bands (ev): -38.5449 -38.5449 -15.0171 -15.0113 -14.4321 -14.4320 -13.4674 -13.4620 -13.4532 -13.4502 -3.7193 -3.7175 -2.7498 -2.7279 -1.1606 -1.1499 -1.1011 -1.0869 0.4605 0.4738 1.0827 1.0905 1.1076 1.1132 1.7759 1.7806 2.2818 2.2954 2.3528 2.3695 3.5249 3.5281 3.5582 3.5627 10.8079 10.8125 11.4435 11.5052 12.3712 12.4381 12.4673 12.4840 k = 0.5000 0.4613 0.2337 ( 8320 PWs) bands (ev): -38.5449 -38.5449 -15.0156 -15.0100 -14.4318 -14.4317 -13.4697 -13.4641 -13.4557 -13.4531 -3.7064 -3.7047 -2.7365 -2.7151 -1.1585 -1.1476 -1.1011 -1.0879 0.4881 0.5013 1.0819 1.0873 1.1123 1.1230 1.7703 1.7767 2.2470 2.2602 2.3117 2.3320 3.5302 3.5333 3.5594 3.5639 10.8260 10.8306 11.4279 11.4882 12.3352 12.3986 12.4246 12.4417 k = 0.5000 0.4613 0.2191 ( 8316 PWs) bands (ev): -38.5449 -38.5449 -15.0141 -15.0087 -14.4316 -14.4315 -13.4718 -13.4662 -13.4580 -13.4558 -3.6945 -3.6929 -2.7243 -2.7036 -1.1559 -1.1448 -1.1005 -1.0886 0.5179 0.5311 1.0736 1.0798 1.1264 1.1386 1.7634 1.7717 2.2070 2.2189 2.2762 2.2986 3.5351 3.5381 3.5606 3.5650 10.8445 10.8490 11.4145 11.4734 12.2981 12.3554 12.3859 12.4022 k = 0.5000 0.4613 0.2045 ( 8312 PWs) bands (ev): -38.5449 -38.5449 -15.0127 -15.0076 -14.4314 -14.4313 -13.4738 -13.4682 -13.4602 -13.4584 -3.6836 -3.6820 -2.7132 -2.6932 -1.1529 -1.1415 -1.0995 -1.0889 0.5499 0.5630 1.0651 1.0714 1.1433 1.1558 1.7552 1.7652 2.1620 2.1719 2.2465 2.2695 3.5396 3.5425 3.5617 3.5660 10.8635 10.8679 11.4033 11.4606 12.2605 12.3119 12.3487 12.3648 k = 0.5000 0.4613 0.1899 ( 8332 PWs) bands (ev): -38.5449 -38.5449 -15.0114 -15.0065 -14.4312 -14.4311 -13.4757 -13.4702 -13.4622 -13.4607 -3.6737 -3.6722 -2.7031 -2.6840 -1.1494 -1.1378 -1.0980 -1.0888 0.5841 0.5970 1.0571 1.0634 1.1616 1.1741 1.7455 1.7571 2.1129 2.1212 2.2210 2.2438 3.5437 3.5464 3.5628 3.5670 10.8828 10.8871 11.3941 11.4498 12.2232 12.2696 12.3121 12.3286 k = 0.5000 0.4613 0.1753 ( 8336 PWs) bands (ev): -38.5449 -38.5449 -15.0102 -15.0056 -14.4311 -14.4310 -13.4774 -13.4720 -13.4641 -13.4629 -3.6647 -3.6633 -2.6941 -2.6760 -1.1456 -1.1339 -1.0962 -1.0884 0.6202 0.6329 1.0500 1.0561 1.1810 1.1933 1.7341 1.7473 2.0610 2.0684 2.1986 2.2210 3.5473 3.5500 3.5639 3.5679 10.9023 10.9064 11.3870 11.4410 12.1868 12.2292 12.2761 12.2929 k = 0.5000 0.4613 0.1607 ( 8340 PWs) bands (ev): -38.5449 -38.5449 -15.0090 -15.0047 -14.4309 -14.4308 -13.4789 -13.4737 -13.4658 -13.4649 -3.6567 -3.6553 -2.6860 -2.6690 -1.1417 -1.1299 -1.0941 -1.0877 0.6580 0.6704 1.0438 1.0497 1.2012 1.2134 1.7211 1.7355 2.0072 2.0142 2.1788 2.2006 3.5507 3.5532 3.5649 3.5688 10.9219 10.9258 11.3818 11.4340 12.1517 12.1911 12.2410 12.2576 k = 0.5000 0.4613 0.1461 ( 8342 PWs) bands (ev): -38.5449 -38.5449 -15.0079 -15.0040 -14.4308 -14.4307 -13.4803 -13.4754 -13.4674 -13.4667 -3.6495 -3.6483 -2.6788 -2.6630 -1.1377 -1.1259 -1.0918 -1.0866 0.6973 0.7092 1.0385 1.0444 1.2222 1.2343 1.7062 1.7217 1.9522 1.9591 2.1614 2.1823 3.5536 3.5560 3.5659 3.5696 10.9414 10.9450 11.3786 11.4287 12.1185 12.1554 12.2068 12.2227 k = 0.5000 0.4613 0.1315 ( 8346 PWs) bands (ev): -38.5449 -38.5449 -15.0069 -15.0033 -14.4307 -14.4306 -13.4816 -13.4769 -13.4688 -13.4683 -3.6432 -3.6421 -2.6724 -2.6580 -1.1337 -1.1221 -1.0894 -1.0853 0.7377 0.7490 1.0345 1.0404 1.2440 1.2560 1.6897 1.7059 1.8966 1.9036 2.1462 2.1660 3.5562 3.5585 3.5669 3.5703 10.9605 10.9639 11.3773 11.4251 12.0874 12.1223 12.1739 12.1884 k = 0.5000 0.4613 0.1169 ( 8334 PWs) bands (ev): -38.5449 -38.5449 -15.0060 -15.0028 -14.4305 -14.4305 -13.4826 -13.4784 -13.4701 -13.4697 -3.6376 -3.6366 -2.6668 -2.6538 -1.1298 -1.1186 -1.0871 -1.0837 0.7785 0.7890 1.0319 1.0379 1.2666 1.2785 1.6715 1.6881 1.8409 1.8481 2.1334 2.1518 3.5585 3.5605 3.5679 3.5709 10.9789 10.9820 11.3778 11.4230 12.0587 12.0919 12.1427 12.1553 k = 0.5000 0.4613 0.1023 ( 8338 PWs) bands (ev): -38.5449 -38.5449 -15.0052 -15.0023 -14.4305 -14.4304 -13.4835 -13.4797 -13.4712 -13.4709 -3.6329 -3.6320 -2.6619 -2.6504 -1.1261 -1.1155 -1.0848 -1.0819 0.8189 0.8283 1.0312 1.0376 1.2898 1.3017 1.6517 1.6685 1.7857 1.7931 2.1226 2.1394 3.5604 3.5622 3.5689 3.5715 10.9963 10.9990 11.3800 11.4220 12.0325 12.0641 12.1135 12.1238 k = 0.5000 0.4613 0.0876 ( 8334 PWs) bands (ev): -38.5449 -38.5449 -15.0044 -15.0019 -14.4304 -14.4303 -13.4843 -13.4809 -13.4721 -13.4720 -3.6289 -3.6281 -2.6577 -2.6477 -1.1227 -1.1129 -1.0826 -1.0800 0.8575 0.8653 1.0334 1.0403 1.3135 1.3253 1.6307 1.6473 1.7317 1.7393 2.1140 2.1288 3.5620 3.5635 3.5699 3.5721 11.0122 11.0147 11.3837 11.4220 12.0092 12.0390 12.0870 12.0945 k = 0.5000 0.4613 0.0730 ( 8334 PWs) bands (ev): -38.5449 -38.5449 -15.0037 -15.0017 -14.4303 -14.4303 -13.4849 -13.4820 -13.4729 -13.4728 -3.6255 -3.6249 -2.6541 -2.6457 -1.1196 -1.1110 -1.0805 -1.0781 0.8920 0.8978 1.0397 1.0475 1.3375 1.3494 1.6086 1.6248 1.6799 1.6874 2.1072 2.1199 3.5634 3.5645 3.5708 3.5725 11.0265 11.0286 11.3887 11.4226 11.9889 12.0166 12.0635 12.0683 k = 0.5000 0.4613 0.0584 ( 8342 PWs) bands (ev): -38.5449 -38.5449 -15.0032 -15.0015 -14.4303 -14.4302 -13.4853 -13.4829 -13.4736 -13.4735 -3.6228 -3.6223 -2.6511 -2.6443 -1.1167 -1.1096 -1.0786 -1.0765 0.9196 0.9232 1.0518 1.0603 1.3618 1.3735 1.5859 1.6012 1.6315 1.6390 2.1021 2.1125 3.5644 3.5653 3.5716 3.5729 11.0387 11.0405 11.3946 11.4233 11.9721 11.9967 12.0436 12.0460 k = 0.5000 0.4613 0.0438 ( 8350 PWs) bands (ev): -38.5449 -38.5449 -15.0026 -15.0014 -14.4302 -14.4302 -13.4855 -13.4837 -13.4741 -13.4741 -3.6207 -3.6203 -2.6486 -2.6435 -1.1143 -1.1088 -1.0769 -1.0752 0.9384 0.9403 1.0698 1.0782 1.3857 1.3971 1.5633 1.5767 1.5888 1.5960 2.0987 2.1066 3.5652 3.5658 3.5723 3.5733 11.0485 11.0500 11.4010 11.4236 11.9593 11.9795 12.0275 12.0285 k = 0.5000 0.4613 0.0292 ( 8358 PWs) bands (ev): -38.5449 -38.5449 -15.0022 -15.0014 -14.4302 -14.4302 -13.4856 -13.4844 -13.4745 -13.4745 -3.6192 -3.6190 -2.6466 -2.6432 -1.1123 -1.1085 -1.0755 -1.0743 0.9494 0.9502 1.0903 1.0971 1.4086 1.4189 1.5417 1.5511 1.5547 1.5628 2.0967 2.1020 3.5657 3.5661 3.5729 3.5735 11.0558 11.0568 11.4074 11.4230 11.9508 11.9653 12.0156 12.0161 k = 0.5000 0.4613 0.0146 ( 8362 PWs) bands (ev): -38.5449 -38.5449 -15.0019 -15.0014 -14.4302 -14.4302 -13.4855 -13.4849 -13.4747 -13.4747 -3.6183 -3.6182 -2.6451 -2.6433 -1.1106 -1.1087 -1.0745 -1.0739 0.9548 0.9551 1.1072 1.1111 1.4283 1.4354 1.5240 1.5286 1.5337 1.5405 2.0961 2.0988 3.5661 3.5663 3.5732 3.5735 11.0603 11.0609 11.4131 11.4212 11.9472 11.9548 12.0084 12.0088 k = 0.5000 0.4613-0.0000 ( 8370 PWs) bands (ev): -38.5449 -38.5449 -15.0016 -15.0016 -14.4302 -14.4302 -13.4853 -13.4853 -13.4748 -13.4748 -3.6180 -3.6180 -2.6440 -2.6440 -1.1095 -1.1095 -1.0739 -1.0739 0.9565 0.9565 1.1150 1.1150 1.4396 1.4396 1.5181 1.5181 1.5292 1.5292 2.0968 2.0968 3.5663 3.5663 3.5735 3.5735 11.0620 11.0620 11.4178 11.4178 11.9486 11.9486 12.0062 12.0062 k = 0.0000 0.0000 0.7374 ( 8340 PWs) bands (ev): -38.5448 -38.5448 -15.0633 -15.0633 -14.4431 -14.4431 -13.3927 -13.3927 -13.3555 -13.3555 -4.2251 -4.2251 -3.2898 -3.2898 -1.0017 -1.0017 -0.9786 -0.9786 0.4247 0.4247 0.7982 0.7982 1.7580 1.7580 1.7963 1.7963 2.7002 2.7002 2.8670 2.8670 3.4190 3.4190 3.5191 3.5191 10.4117 10.4117 12.3385 12.3385 13.0686 13.0686 13.7389 13.7389 k = 0.0109 0.0100 0.7374 ( 8336 PWs) bands (ev): -38.5448 -38.5448 -15.0635 -15.0630 -14.4431 -14.4431 -13.3931 -13.3923 -13.3556 -13.3555 -4.2248 -4.2247 -3.2902 -3.2883 -1.0038 -1.0032 -0.9807 -0.9805 0.4274 0.4282 0.7968 0.7998 1.7583 1.7603 1.7958 1.7959 2.6999 2.7001 2.8665 2.8667 3.4188 3.4188 3.5188 3.5188 10.4115 10.4119 12.3384 12.3400 13.0684 13.0685 13.7336 13.7368 k = 0.0217 0.0201 0.7374 ( 8330 PWs) bands (ev): -38.5448 -38.5448 -15.0637 -15.0628 -14.4430 -14.4430 -13.3936 -13.3919 -13.3557 -13.3555 -4.2237 -4.2235 -3.2896 -3.2859 -1.0094 -1.0084 -0.9865 -0.9862 0.4363 0.4377 0.7958 0.8016 1.7612 1.7651 1.7942 1.7944 2.6993 2.6997 2.8651 2.8655 3.4184 3.4185 3.5178 3.5179 10.4113 10.4121 12.3398 12.3430 13.0680 13.0683 13.7212 13.7274 k = 0.0326 0.0301 0.7374 ( 8322 PWs) bands (ev): -38.5448 -38.5448 -15.0639 -15.0625 -14.4430 -14.4429 -13.3941 -13.3916 -13.3558 -13.3556 -4.2219 -4.2216 -3.2880 -3.2825 -1.0187 -1.0177 -0.9954 -0.9953 0.4510 0.4532 0.7950 0.8037 1.7662 1.7717 1.7921 1.7927 2.6984 2.6990 2.8628 2.8633 3.4178 3.4178 3.5162 3.5164 10.4111 10.4123 12.3428 12.3475 13.0674 13.0679 13.7021 13.7110 k = 0.0435 0.0401 0.7374 ( 8330 PWs) bands (ev): -38.5448 -38.5448 -15.0641 -15.0622 -14.4429 -14.4429 -13.3946 -13.3913 -13.3560 -13.3558 -4.2193 -4.2190 -3.2855 -3.2782 -1.0319 -1.0314 -1.0072 -1.0060 0.4711 0.4740 0.7944 0.8059 1.7715 1.7770 1.7910 1.7936 2.6971 2.6979 2.8597 2.8604 3.4169 3.4170 3.5140 3.5143 10.4110 10.4125 12.3472 12.3535 13.0666 13.0672 13.6766 13.6881 k = 0.0543 0.0501 0.7374 ( 8334 PWs) bands (ev): -38.5448 -38.5448 -15.0642 -15.0619 -14.4427 -14.4427 -13.3951 -13.3911 -13.3563 -13.3559 -4.2161 -4.2157 -3.2821 -3.2730 -1.0494 -1.0491 -1.0210 -1.0184 0.4962 0.4997 0.7941 0.8082 1.7725 1.7756 1.7956 1.8023 2.6954 2.6964 2.8558 2.8566 3.4158 3.4159 3.5113 3.5117 10.4108 10.4127 12.3531 12.3610 13.0657 13.0663 13.6456 13.6592 k = 0.0652 0.0602 0.7374 ( 8342 PWs) bands (ev): -38.5448 -38.5448 -15.0644 -15.0616 -14.4426 -14.4426 -13.3957 -13.3909 -13.3565 -13.3562 -4.2123 -4.2118 -3.2779 -3.2669 -1.0708 -1.0697 -1.0362 -1.0322 0.5256 0.5296 0.7941 0.8106 1.7678 1.7698 1.8070 1.8165 2.6934 2.6945 2.8511 2.8521 3.4144 3.4147 3.5081 3.5086 10.4106 10.4129 12.3605 12.3701 13.0645 13.0653 13.6096 13.6250 k = 0.0761 0.0702 0.7374 ( 8362 PWs) bands (ev): -38.5448 -38.5448 -15.0645 -15.0612 -14.4425 -14.4424 -13.3963 -13.3907 -13.3568 -13.3564 -4.2079 -4.2073 -3.2729 -3.2602 -1.0949 -1.0931 -1.0527 -1.0473 0.5586 0.5632 0.7942 0.8130 1.7602 1.7619 1.8221 1.8335 2.6908 2.6922 2.8459 2.8469 3.4128 3.4133 3.5043 3.5051 10.4105 10.4131 12.3696 12.3808 13.0631 13.0640 13.5696 13.5862 k = 0.0870 0.0802 0.7374 ( 8358 PWs) bands (ev): -38.5448 -38.5448 -15.0646 -15.0609 -14.4423 -14.4423 -13.3968 -13.3906 -13.3572 -13.3567 -4.2031 -4.2024 -3.2672 -3.2527 -1.1209 -1.1185 -1.0704 -1.0637 0.5947 0.5998 0.7946 0.8154 1.7508 1.7525 1.8396 1.8526 2.6878 2.6894 2.8401 2.8412 3.4111 3.4118 3.5002 3.5012 10.4104 10.4134 12.3802 12.3931 13.0616 13.0625 13.5262 13.5437 k = 0.0978 0.0902 0.7374 ( 8360 PWs) bands (ev): -38.5448 -38.5448 -15.0647 -15.0606 -14.4421 -14.4421 -13.3974 -13.3905 -13.3575 -13.3570 -4.1978 -4.1970 -3.2610 -3.2448 -1.1482 -1.1453 -1.0890 -1.0810 0.6331 0.6388 0.7951 0.8178 1.7398 1.7416 1.8591 1.8734 2.6843 2.6860 2.8338 2.8350 3.4092 3.4102 3.4958 3.4971 10.4103 10.4136 12.3925 12.4071 13.0599 13.0608 13.4801 13.4981 k = 0.1087 0.1003 0.7374 ( 8350 PWs) bands (ev): -38.5448 -38.5448 -15.0648 -15.0603 -14.4419 -14.4419 -13.3980 -13.3904 -13.3579 -13.3573 -4.1923 -4.1914 -3.2543 -3.2364 -1.1759 -1.1727 -1.1082 -1.0991 0.6733 0.6795 0.7957 0.8202 1.7274 1.7293 1.8800 1.8955 2.6802 2.6821 2.8273 2.8285 3.4072 3.4085 3.4912 3.4927 10.4102 10.4138 12.4064 12.4228 13.0580 13.0589 13.4320 13.4501 k = 0.1196 0.1103 0.7374 ( 8342 PWs) bands (ev): -38.5448 -38.5448 -15.0648 -15.0600 -14.4417 -14.4417 -13.3986 -13.3904 -13.3583 -13.3576 -4.1865 -4.1856 -3.2473 -3.2277 -1.2038 -1.2003 -1.1279 -1.1176 0.7147 0.7215 0.7965 0.8224 1.7136 1.7157 1.9021 1.9187 2.6754 2.6775 2.8207 2.8218 3.4051 3.4068 3.4863 3.4883 10.4102 10.4141 12.4220 12.4402 13.0560 13.0567 13.3827 13.4004 k = 0.1304 0.1203 0.7374 ( 8322 PWs) bands (ev): -38.5448 -38.5448 -15.0648 -15.0597 -14.4415 -14.4415 -13.3991 -13.3903 -13.3587 -13.3580 -4.1806 -4.1796 -3.2401 -3.2189 -1.2311 -1.2274 -1.1476 -1.1361 0.7565 0.7640 0.7976 0.8247 1.6986 1.7009 1.9249 1.9425 2.6700 2.6723 2.8140 2.8151 3.4030 3.4051 3.4814 3.4838 10.4102 10.4144 12.4394 12.4595 13.0538 13.0543 13.3327 13.3495 k = 0.1413 0.1304 0.7374 ( 8326 PWs) bands (ev): -38.5448 -38.5448 -15.0649 -15.0594 -14.4413 -14.4413 -13.3997 -13.3903 -13.3591 -13.3583 -4.1748 -4.1737 -3.2328 -3.2101 -1.2575 -1.2536 -1.1670 -1.1545 0.7922 0.8050 0.8057 0.8277 1.6823 1.6850 1.9482 1.9666 2.6639 2.6663 2.8076 2.8086 3.4008 3.4034 3.4765 3.4794 10.4102 10.4146 12.4584 12.4806 13.0514 13.0514 13.2826 13.2981 k = 0.1522 0.1404 0.7374 ( 8330 PWs) bands (ev): -38.5448 -38.5448 -15.0649 -15.0591 -14.4411 -14.4411 -13.4002 -13.3903 -13.3594 -13.3586 -4.1690 -4.1679 -3.2256 -3.2015 -1.2826 -1.2785 -1.1859 -1.1722 0.7971 0.8263 0.8428 0.8515 1.6651 1.6680 1.9713 1.9905 2.6571 2.6596 2.8015 2.8025 3.3987 3.4018 3.4717 3.4752 10.4102 10.4149 12.4792 12.5036 13.0478 13.0487 13.2333 13.2467 k = 0.1630 0.1504 0.7374 ( 8330 PWs) bands (ev): -38.5448 -38.5448 -15.0649 -15.0589 -14.4409 -14.4409 -13.4007 -13.3903 -13.3598 -13.3589 -4.1635 -4.1623 -3.2186 -3.1932 -1.3060 -1.3018 -1.2038 -1.1891 0.7982 0.8288 0.8836 0.8923 1.6469 1.6502 1.9941 2.0140 2.6498 2.6524 2.7959 2.7968 3.3966 3.4003 3.4671 3.4711 10.4102 10.4151 12.5017 12.5285 13.0429 13.0454 13.1859 13.1961 k = 0.1739 0.1604 0.7374 ( 8342 PWs) bands (ev): -38.5448 -38.5448 -15.0649 -15.0586 -14.4408 -14.4407 -13.4011 -13.3904 -13.3601 -13.3592 -4.1584 -4.1571 -3.2120 -3.1854 -1.3274 -1.3231 -1.2204 -1.2048 0.7990 0.8304 0.9230 0.9323 1.6281 1.6320 2.0159 2.0365 2.6421 2.6447 2.7908 2.7916 3.3947 3.3990 3.4627 3.4674 10.4103 10.4154 12.5258 12.5553 13.0353 13.0406 13.1422 13.1475 k = 0.1848 0.1705 0.7374 ( 8340 PWs) bands (ev): -38.5448 -38.5448 -15.0649 -15.0584 -14.4406 -14.4406 -13.4015 -13.3904 -13.3604 -13.3595 -4.1536 -4.1523 -3.2059 -3.1782 -1.3466 -1.3422 -1.2355 -1.2191 0.7996 0.8317 0.9604 0.9703 1.6092 1.6136 2.0364 2.0577 2.6343 2.6368 2.7864 2.7872 3.3929 3.3977 3.4588 3.4640 10.4103 10.4156 12.5514 12.5841 13.0214 13.0315 13.1041 13.1062 k = 0.1957 0.1805 0.7374 ( 8326 PWs) bands (ev): -38.5448 -38.5448 -15.0649 -15.0582 -14.4405 -14.4404 -13.4018 -13.3904 -13.3607 -13.3597 -4.1495 -4.1481 -3.2005 -3.1718 -1.3632 -1.3587 -1.2487 -1.2316 0.8001 0.8327 0.9949 1.0055 1.5906 1.5956 2.0550 2.0768 2.6267 2.6290 2.7827 2.7834 3.3913 3.3967 3.4553 3.4611 10.4104 10.4158 12.5782 12.6148 12.9969 13.0105 13.0738 13.0828 k = 0.2065 0.1905 0.7374 ( 8326 PWs) bands (ev): -38.5448 -38.5448 -15.0649 -15.0581 -14.4403 -14.4403 -13.4021 -13.3904 -13.3609 -13.3599 -4.1459 -4.1445 -3.1959 -3.1664 -1.3770 -1.3725 -1.2600 -1.2422 0.8006 0.8336 1.0255 1.0369 1.5730 1.5787 2.0712 2.0936 2.6195 2.6217 2.7797 2.7803 3.3899 3.3958 3.4523 3.4586 10.4104 10.4160 12.6058 12.6473 12.9638 12.9742 13.0603 13.0707 k = 0.2174 0.2005 0.7374 ( 8336 PWs) bands (ev): -38.5448 -38.5448 -15.0649 -15.0580 -14.4403 -14.4402 -13.4023 -13.3905 -13.3611 -13.3601 -4.1431 -4.1416 -3.1922 -3.1620 -1.3880 -1.3834 -1.2689 -1.2506 0.8009 0.8343 1.0513 1.0633 1.5575 1.5638 2.0845 2.1073 2.6134 2.6154 2.7773 2.7779 3.3888 3.3952 3.4498 3.4566 10.4105 10.4161 12.6332 12.6815 12.9286 12.9319 13.0548 13.0647 k = 0.2283 0.2106 0.7374 ( 8332 PWs) bands (ev): -38.5448 -38.5448 -15.0649 -15.0579 -14.4402 -14.4401 -13.4025 -13.3905 -13.3612 -13.3602 -4.1410 -4.1395 -3.1895 -3.1589 -1.3959 -1.3913 -1.2754 -1.2568 0.8012 0.8348 1.0709 1.0836 1.5451 1.5520 2.0944 2.1176 2.6087 2.6105 2.7757 2.7763 3.3880 3.3947 3.4481 3.4552 10.4105 10.4162 12.6586 12.7171 12.8892 12.8964 13.0521 13.0614 k = 0.2391 0.2206 0.7374 ( 8352 PWs) bands (ev): -38.5448 -38.5448 -15.0649 -15.0578 -14.4401 -14.4401 -13.4026 -13.3905 -13.3613 -13.3603 -4.1397 -4.1382 -3.1879 -3.1569 -1.4007 -1.3961 -1.2794 -1.2605 0.8013 0.8350 1.0833 1.0965 1.5370 1.5444 2.1006 2.1239 2.6057 2.6074 2.7747 2.7753 3.3875 3.3944 3.4470 3.4543 10.4105 10.4163 12.6782 12.7524 12.8493 12.8724 13.0508 13.0598 k = 0.2500 0.2306 0.7374 ( 8356 PWs) bands (ev): -38.5448 -38.5448 -15.0649 -15.0578 -14.4401 -14.4401 -13.4026 -13.3905 -13.3613 -13.3603 -4.1393 -4.1378 -3.1873 -3.1563 -1.4023 -1.3977 -1.2807 -1.2618 0.8014 0.8351 1.0875 1.1009 1.5342 1.5417 2.1026 2.1261 2.6046 2.6063 2.7743 2.7749 3.3873 3.3943 3.4466 3.4540 10.4105 10.4163 12.6859 12.7746 12.8255 12.8631 13.0504 13.0593 Writing output data file LiGeBO4.save init_run : 0.59s CPU 0.36s WALL ( 1 calls) electrons : 368.18s CPU 244.73s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.10s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 368.17s CPU 244.72s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.65s CPU 0.69s WALL ( 366 calls) cegterg : 312.06s CPU 210.87s WALL ( 400 calls) Called by sum_band: Called by *egterg: h_psi : 260.80s CPU 156.13s WALL ( 6880 calls) s_psi : 5.57s CPU 3.70s WALL ( 6880 calls) g_psi : 0.58s CPU 0.41s WALL ( 6114 calls) cdiaghg : 57.68s CPU 48.61s WALL ( 6480 calls) cegterg:over : 12.03s CPU 9.43s WALL ( 6114 calls) cegterg:upda : 11.98s CPU 9.89s WALL ( 6114 calls) cegterg:last : 4.89s CPU 4.23s WALL ( 1278 calls) cdiaghg:chol : 3.28s CPU 2.81s WALL ( 6480 calls) cdiaghg:inve : 1.71s CPU 1.56s WALL ( 6480 calls) cdiaghg:para : 3.10s CPU 2.72s WALL ( 12960 calls) Called by h_psi: h_psi:vloc : 245.02s CPU 145.21s WALL ( 6880 calls) h_psi:vnl : 15.15s CPU 10.49s WALL ( 6880 calls) add_vuspsi : 6.80s CPU 4.58s WALL ( 6880 calls) General routines calbec : 8.31s CPU 5.88s WALL ( 6880 calls) fft : 0.04s CPU 0.02s WALL ( 15 calls) fftw : 233.64s CPU 137.29s WALL ( 705856 calls) davcio : 0.37s CPU 1.50s WALL ( 732 calls) Parallel routines fft_scatter : 84.60s CPU 56.88s WALL ( 705871 calls) PWSCF : 6m33.10s CPU 5m30.15s WALL This run was terminated on: 2:29: 9 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=