Program PWSCF v.5.1.1 starts on 17Jul2015 at 10:16:32 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./OsO4.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 37 25 7 1136 626 98 Max 38 26 8 1141 649 102 Sum 1807 1215 347 54651 30549 4771 bravais-lattice index = 14 lattice parameter (alat) = 9.2300 a.u. unit-cell volume = 554.4387 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 55.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.230011 celldm(2)= 1.000000 celldm(3)= 0.972501 celldm(4)= 0.414825 celldm(5)= 0.414825 celldm(6)= 0.571806 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.571806 0.820389 0.000000 ) a(3) = ( 0.403418 0.210560 0.859463 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.696995 -0.298627 ) b(2) = ( 0.000000 1.218935 -0.298627 ) b(3) = ( 0.000000 0.000000 1.163517 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Os read from file: /home/autes/Pseudo/Os.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 1bcb72221b6b17e70f20dab4cda9aff7 Pseudo is Ultrasoft + core correction, Zval = 16.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1275 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Os 16.00 190.23000 Os( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 352 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 2) = ( 0.0119048 0.0062136 -0.0071102), wk = 0.0028409 k( 3) = ( 0.0238095 0.0124271 -0.0142203), wk = 0.0028409 k( 4) = ( 0.0357143 0.0186407 -0.0213305), wk = 0.0028409 k( 5) = ( 0.0476191 0.0248543 -0.0284407), wk = 0.0028409 k( 6) = ( 0.0595238 0.0310679 -0.0355508), wk = 0.0028409 k( 7) = ( 0.0714286 0.0372814 -0.0426610), wk = 0.0028409 k( 8) = ( 0.0833333 0.0434950 -0.0497712), wk = 0.0028409 k( 9) = ( 0.0952381 0.0497086 -0.0568813), wk = 0.0028409 k( 10) = ( 0.1071429 0.0559221 -0.0639915), wk = 0.0028409 k( 11) = ( 0.1190476 0.0621357 -0.0711017), wk = 0.0028409 k( 12) = ( 0.1309524 0.0683493 -0.0782118), wk = 0.0028409 k( 13) = ( 0.1428571 0.0745628 -0.0853220), wk = 0.0028409 k( 14) = ( 0.1547619 0.0807764 -0.0924322), wk = 0.0028409 k( 15) = ( 0.1666667 0.0869900 -0.0995423), wk = 0.0028409 k( 16) = ( 0.1785714 0.0932036 -0.1066525), wk = 0.0028409 k( 17) = ( 0.1904762 0.0994171 -0.1137627), wk = 0.0028409 k( 18) = ( 0.2023810 0.1056307 -0.1208728), wk = 0.0028409 k( 19) = ( 0.2142857 0.1118443 -0.1279830), wk = 0.0028409 k( 20) = ( 0.2261905 0.1180578 -0.1350932), wk = 0.0028409 k( 21) = ( 0.2380952 0.1242714 -0.1422033), wk = 0.0028409 k( 22) = ( 0.2500000 0.1304850 -0.1493135), wk = 0.0028409 k( 23) = ( 0.2619048 0.1366986 -0.1564237), wk = 0.0028409 k( 24) = ( 0.2738095 0.1429121 -0.1635338), wk = 0.0028409 k( 25) = ( 0.2857143 0.1491257 -0.1706440), wk = 0.0028409 k( 26) = ( 0.2976190 0.1553393 -0.1777542), wk = 0.0028409 k( 27) = ( 0.3095238 0.1615528 -0.1848643), wk = 0.0028409 k( 28) = ( 0.3214286 0.1677664 -0.1919745), wk = 0.0028409 k( 29) = ( 0.3333333 0.1739800 -0.1990847), wk = 0.0028409 k( 30) = ( 0.3452381 0.1801936 -0.2061948), wk = 0.0028409 k( 31) = ( 0.3571429 0.1864071 -0.2133050), wk = 0.0028409 k( 32) = ( 0.3690476 0.1926207 -0.2204152), wk = 0.0028409 k( 33) = ( 0.3809524 0.1988343 -0.2275253), wk = 0.0028409 k( 34) = ( 0.3928571 0.2050478 -0.2346355), wk = 0.0028409 k( 35) = ( 0.4047619 0.2112614 -0.2417457), wk = 0.0028409 k( 36) = ( 0.4166667 0.2174750 -0.2488558), wk = 0.0028409 k( 37) = ( 0.4285714 0.2236886 -0.2559660), wk = 0.0028409 k( 38) = ( 0.4404762 0.2299021 -0.2630762), wk = 0.0028409 k( 39) = ( 0.4523810 0.2361157 -0.2701863), wk = 0.0028409 k( 40) = ( 0.4642857 0.2423293 -0.2772965), wk = 0.0028409 k( 41) = ( 0.4761905 0.2485428 -0.2844067), wk = 0.0028409 k( 42) = ( 0.4880952 0.2547564 -0.2915168), wk = 0.0028409 k( 43) = ( 0.5000000 0.2609700 -0.2986270), wk = 0.0028409 k( 44) = ( 0.5000000 0.2609700 -0.2986270), wk = 0.0028409 k( 45) = ( 0.5063284 0.2642730 -0.2851446), wk = 0.0028409 k( 46) = ( 0.5126569 0.2675761 -0.2716621), wk = 0.0028409 k( 47) = ( 0.5189853 0.2708792 -0.2581797), wk = 0.0028409 k( 48) = ( 0.5253138 0.2741822 -0.2446972), wk = 0.0028409 k( 49) = ( 0.5316422 0.2774853 -0.2312148), wk = 0.0028409 k( 50) = ( 0.5379707 0.2807884 -0.2177323), wk = 0.0028409 k( 51) = ( 0.5442991 0.2840914 -0.2042499), wk = 0.0028409 k( 52) = ( 0.5506275 0.2873945 -0.1907674), wk = 0.0028409 k( 53) = ( 0.5569560 0.2906976 -0.1772850), wk = 0.0028409 k( 54) = ( 0.5632844 0.2940006 -0.1638025), wk = 0.0028409 k( 55) = ( 0.5696129 0.2973037 -0.1503201), wk = 0.0028409 k( 56) = ( 0.5759413 0.3006068 -0.1368376), wk = 0.0028409 k( 57) = ( 0.5822698 0.3039098 -0.1233552), wk = 0.0028409 k( 58) = ( 0.5885982 0.3072129 -0.1098728), wk = 0.0028409 k( 59) = ( 0.5949266 0.3105160 -0.0963903), wk = 0.0028409 k( 60) = ( 0.6012551 0.3138190 -0.0829079), wk = 0.0028409 k( 61) = ( 0.6075835 0.3171221 -0.0694254), wk = 0.0028409 k( 62) = ( 0.6139120 0.3204252 -0.0559430), wk = 0.0028409 k( 63) = ( 0.6202404 0.3237283 -0.0424605), wk = 0.0028409 k( 64) = ( 0.6265688 0.3270313 -0.0289781), wk = 0.0028409 k( 65) = ( 0.6328973 0.3303344 -0.0154956), wk = 0.0028409 k( 66) = ( 0.6328973 0.3303344 -0.0154956), wk = 0.0028409 k( 67) = ( 0.6268565 0.3271815 -0.0019217), wk = 0.0028409 k( 68) = ( 0.6208157 0.3240285 0.0116523), wk = 0.0028409 k( 69) = ( 0.6147749 0.3208756 0.0252262), wk = 0.0028409 k( 70) = ( 0.6087341 0.3177227 0.0388002), wk = 0.0028409 k( 71) = ( 0.6026934 0.3145697 0.0523741), wk = 0.0028409 k( 72) = ( 0.5966526 0.3114168 0.0659481), wk = 0.0028409 k( 73) = ( 0.5906118 0.3082639 0.0795221), wk = 0.0028409 k( 74) = ( 0.5845710 0.3051110 0.0930960), wk = 0.0028409 k( 75) = ( 0.5785302 0.3019580 0.1066700), wk = 0.0028409 k( 76) = ( 0.5724894 0.2988051 0.1202439), wk = 0.0028409 k( 77) = ( 0.5664486 0.2956522 0.1338179), wk = 0.0028409 k( 78) = ( 0.5604079 0.2924993 0.1473918), wk = 0.0028409 k( 79) = ( 0.5543671 0.2893463 0.1609658), wk = 0.0028409 k( 80) = ( 0.5483263 0.2861934 0.1745397), wk = 0.0028409 k( 81) = ( 0.5422855 0.2830405 0.1881137), wk = 0.0028409 k( 82) = ( 0.5362447 0.2798875 0.2016876), wk = 0.0028409 k( 83) = ( 0.5302039 0.2767346 0.2152616), wk = 0.0028409 k( 84) = ( 0.5241631 0.2735817 0.2288356), wk = 0.0028409 k( 85) = ( 0.5181224 0.2704288 0.2424095), wk = 0.0028409 k( 86) = ( 0.5120816 0.2672758 0.2559835), wk = 0.0028409 k( 87) = ( 0.5060408 0.2641229 0.2695574), wk = 0.0028409 k( 88) = ( 0.5000000 0.2609700 0.2831314), wk = 0.0028409 k( 89) = ( 0.5000000 0.2609700 0.2831314), wk = 0.0028409 k( 90) = ( 0.5071876 0.2471990 0.2831314), wk = 0.0028409 k( 91) = ( 0.5143752 0.2334280 0.2831314), wk = 0.0028409 k( 92) = ( 0.5215629 0.2196571 0.2831314), wk = 0.0028409 k( 93) = ( 0.5287505 0.2058861 0.2831314), wk = 0.0028409 k( 94) = ( 0.5359381 0.1921151 0.2831314), wk = 0.0028409 k( 95) = ( 0.5431257 0.1783442 0.2831314), wk = 0.0028409 k( 96) = ( 0.5503133 0.1645732 0.2831314), wk = 0.0028409 k( 97) = ( 0.5575010 0.1508022 0.2831314), wk = 0.0028409 k( 98) = ( 0.5646886 0.1370312 0.2831314), wk = 0.0028409 k( 99) = ( 0.5718762 0.1232603 0.2831314), wk = 0.0028409 k( 100) = ( 0.5790638 0.1094893 0.2831314), wk = 0.0028409 k( 101) = ( 0.5862514 0.0957183 0.2831314), wk = 0.0028409 k( 102) = ( 0.5934391 0.0819474 0.2831314), wk = 0.0028409 k( 103) = ( 0.6006267 0.0681764 0.2831314), wk = 0.0028409 k( 104) = ( 0.6078143 0.0544054 0.2831314), wk = 0.0028409 k( 105) = ( 0.6150019 0.0406344 0.2831314), wk = 0.0028409 k( 106) = ( 0.6221895 0.0268635 0.2831314), wk = 0.0028409 k( 107) = ( 0.6293772 0.0130925 0.2831314), wk = 0.0028409 k( 108) = ( 0.6365648 -0.0006785 0.2831314), wk = 0.0028409 k( 109) = ( 0.6437524 -0.0144495 0.2831314), wk = 0.0028409 k( 110) = ( 0.6509400 -0.0282204 0.2831314), wk = 0.0028409 k( 111) = ( 0.6581276 -0.0419914 0.2831314), wk = 0.0028409 k( 112) = ( 0.6653153 -0.0557624 0.2831314), wk = 0.0028409 k( 113) = ( 0.6725029 -0.0695333 0.2831314), wk = 0.0028409 k( 114) = ( 0.6796905 -0.0833043 0.2831314), wk = 0.0028409 k( 115) = ( 0.6868781 -0.0970753 0.2831314), wk = 0.0028409 k( 116) = ( 0.6940658 -0.1108463 0.2831314), wk = 0.0028409 k( 117) = ( 0.7012534 -0.1246172 0.2831314), wk = 0.0028409 k( 118) = ( 0.7084410 -0.1383882 0.2831314), wk = 0.0028409 k( 119) = ( 0.7156286 -0.1521592 0.2831314), wk = 0.0028409 k( 120) = ( 0.7228162 -0.1659301 0.2831314), wk = 0.0028409 k( 121) = ( 0.7300039 -0.1797011 0.2831314), wk = 0.0028409 k( 122) = ( 0.7371915 -0.1934721 0.2831314), wk = 0.0028409 k( 123) = ( 0.2628085 -0.5035225 0.5817584), wk = 0.0028409 k( 124) = ( 0.2557056 -0.4899138 0.5817584), wk = 0.0028409 k( 125) = ( 0.2486027 -0.4763051 0.5817584), wk = 0.0028409 k( 126) = ( 0.2414997 -0.4626964 0.5817584), wk = 0.0028409 k( 127) = ( 0.2343968 -0.4490877 0.5817584), wk = 0.0028409 k( 128) = ( 0.2272939 -0.4354789 0.5817584), wk = 0.0028409 k( 129) = ( 0.2201909 -0.4218702 0.5817584), wk = 0.0028409 k( 130) = ( 0.2130880 -0.4082615 0.5817584), wk = 0.0028409 k( 131) = ( 0.2059851 -0.3946528 0.5817584), wk = 0.0028409 k( 132) = ( 0.1988821 -0.3810441 0.5817584), wk = 0.0028409 k( 133) = ( 0.1917792 -0.3674354 0.5817584), wk = 0.0028409 k( 134) = ( 0.1846763 -0.3538266 0.5817584), wk = 0.0028409 k( 135) = ( 0.1775733 -0.3402179 0.5817584), wk = 0.0028409 k( 136) = ( 0.1704704 -0.3266092 0.5817584), wk = 0.0028409 k( 137) = ( 0.1633675 -0.3130005 0.5817584), wk = 0.0028409 k( 138) = ( 0.1562645 -0.2993918 0.5817584), wk = 0.0028409 k( 139) = ( 0.1491616 -0.2857831 0.5817584), wk = 0.0028409 k( 140) = ( 0.1420587 -0.2721744 0.5817584), wk = 0.0028409 k( 141) = ( 0.1349557 -0.2585656 0.5817584), wk = 0.0028409 k( 142) = ( 0.1278528 -0.2449569 0.5817584), wk = 0.0028409 k( 143) = ( 0.1207499 -0.2313482 0.5817584), wk = 0.0028409 k( 144) = ( 0.1136469 -0.2177395 0.5817584), wk = 0.0028409 k( 145) = ( 0.1065440 -0.2041308 0.5817584), wk = 0.0028409 k( 146) = ( 0.0994411 -0.1905221 0.5817584), wk = 0.0028409 k( 147) = ( 0.0923381 -0.1769133 0.5817584), wk = 0.0028409 k( 148) = ( 0.0852352 -0.1633046 0.5817584), wk = 0.0028409 k( 149) = ( 0.0781323 -0.1496959 0.5817584), wk = 0.0028409 k( 150) = ( 0.0710293 -0.1360872 0.5817584), wk = 0.0028409 k( 151) = ( 0.0639264 -0.1224785 0.5817584), wk = 0.0028409 k( 152) = ( 0.0568235 -0.1088697 0.5817584), wk = 0.0028409 k( 153) = ( 0.0497205 -0.0952610 0.5817584), wk = 0.0028409 k( 154) = ( 0.0426176 -0.0816523 0.5817584), wk = 0.0028409 k( 155) = ( 0.0355147 -0.0680436 0.5817584), wk = 0.0028409 k( 156) = ( 0.0284117 -0.0544349 0.5817584), wk = 0.0028409 k( 157) = ( 0.0213088 -0.0408262 0.5817584), wk = 0.0028409 k( 158) = ( 0.0142059 -0.0272174 0.5817584), wk = 0.0028409 k( 159) = ( 0.0071029 -0.0136087 0.5817584), wk = 0.0028409 k( 160) = ( 0.0000000 0.0000000 0.5817584), wk = 0.0028409 k( 161) = ( 0.0000000 0.0000000 0.5817584), wk = 0.0028409 k( 162) = ( 0.0135964 0.0070965 0.5817584), wk = 0.0028409 k( 163) = ( 0.0271928 0.0141930 0.5817584), wk = 0.0028409 k( 164) = ( 0.0407892 0.0212895 0.5817584), wk = 0.0028409 k( 165) = ( 0.0543856 0.0283860 0.5817584), wk = 0.0028409 k( 166) = ( 0.0679820 0.0354825 0.5817584), wk = 0.0028409 k( 167) = ( 0.0815784 0.0425790 0.5817584), wk = 0.0028409 k( 168) = ( 0.0951748 0.0496755 0.5817584), wk = 0.0028409 k( 169) = ( 0.1087712 0.0567720 0.5817584), wk = 0.0028409 k( 170) = ( 0.1223676 0.0638685 0.5817584), wk = 0.0028409 k( 171) = ( 0.1359640 0.0709650 0.5817584), wk = 0.0028409 k( 172) = ( 0.1495604 0.0780615 0.5817584), wk = 0.0028409 k( 173) = ( 0.1631568 0.0851580 0.5817584), wk = 0.0028409 k( 174) = ( 0.1767531 0.0922545 0.5817584), wk = 0.0028409 k( 175) = ( 0.1903496 0.0993510 0.5817584), wk = 0.0028409 k( 176) = ( 0.2039459 0.1064475 0.5817584), wk = 0.0028409 k( 177) = ( 0.2175423 0.1135440 0.5817584), wk = 0.0028409 k( 178) = ( 0.2311387 0.1206405 0.5817584), wk = 0.0028409 k( 179) = ( 0.2447351 0.1277370 0.5817584), wk = 0.0028409 k( 180) = ( 0.2583315 0.1348335 0.5817584), wk = 0.0028409 k( 181) = ( 0.2719279 0.1419301 0.5817584), wk = 0.0028409 k( 182) = ( 0.2855243 0.1490266 0.5817584), wk = 0.0028409 k( 183) = ( 0.2991207 0.1561231 0.5817584), wk = 0.0028409 k( 184) = ( 0.3127171 0.1632196 0.5817584), wk = 0.0028409 k( 185) = ( 0.3263135 0.1703161 0.5817584), wk = 0.0028409 k( 186) = ( 0.3399099 0.1774126 0.5817584), wk = 0.0028409 k( 187) = ( 0.3535063 0.1845091 0.5817584), wk = 0.0028409 k( 188) = ( 0.3671027 0.1916056 0.5817584), wk = 0.0028409 k( 189) = ( 0.5000000 0.2609700 -0.2986270), wk = 0.0028409 k( 190) = ( 0.5070783 0.2474084 -0.2986270), wk = 0.0028409 k( 191) = ( 0.5141567 0.2338468 -0.2986270), wk = 0.0028409 k( 192) = ( 0.5212350 0.2202852 -0.2986270), wk = 0.0028409 k( 193) = ( 0.5283134 0.2067235 -0.2986270), wk = 0.0028409 k( 194) = ( 0.5353917 0.1931619 -0.2986270), wk = 0.0028409 k( 195) = ( 0.5424701 0.1796003 -0.2986270), wk = 0.0028409 k( 196) = ( 0.5495484 0.1660387 -0.2986270), wk = 0.0028409 k( 197) = ( 0.5566268 0.1524771 -0.2986270), wk = 0.0028409 k( 198) = ( 0.5637051 0.1389155 -0.2986270), wk = 0.0028409 k( 199) = ( 0.5707834 0.1253539 -0.2986270), wk = 0.0028409 k( 200) = ( 0.5778618 0.1117923 -0.2986270), wk = 0.0028409 k( 201) = ( 0.5849401 0.0982307 -0.2986270), wk = 0.0028409 k( 202) = ( 0.5920185 0.0846691 -0.2986270), wk = 0.0028409 k( 203) = ( 0.5990968 0.0711075 -0.2986270), wk = 0.0028409 k( 204) = ( 0.6061752 0.0575459 -0.2986270), wk = 0.0028409 k( 205) = ( 0.6132535 0.0439843 -0.2986270), wk = 0.0028409 k( 206) = ( 0.6203319 0.0304227 -0.2986270), wk = 0.0028409 k( 207) = ( 0.6274102 0.0168610 -0.2986270), wk = 0.0028409 k( 208) = ( 0.6344886 0.0032994 -0.2986270), wk = 0.0028409 k( 209) = ( 0.6415669 -0.0102622 -0.2986270), wk = 0.0028409 k( 210) = ( 0.6486452 -0.0238238 -0.2986270), wk = 0.0028409 k( 211) = ( 0.6557236 -0.0373854 -0.2986270), wk = 0.0028409 k( 212) = ( 0.6628019 -0.0509470 -0.2986270), wk = 0.0028409 k( 213) = ( 0.3371981 -0.6460476 0.0000000), wk = 0.0028409 k( 214) = ( 0.3300236 -0.6323019 0.0000000), wk = 0.0028409 k( 215) = ( 0.3228492 -0.6185562 0.0000000), wk = 0.0028409 k( 216) = ( 0.3156748 -0.6048105 0.0000000), wk = 0.0028409 k( 217) = ( 0.3085004 -0.5910648 0.0000000), wk = 0.0028409 k( 218) = ( 0.3013259 -0.5773192 0.0000000), wk = 0.0028409 k( 219) = ( 0.2941515 -0.5635735 0.0000000), wk = 0.0028409 k( 220) = ( 0.2869771 -0.5498278 0.0000000), wk = 0.0028409 k( 221) = ( 0.2798026 -0.5360821 0.0000000), wk = 0.0028409 k( 222) = ( 0.2726282 -0.5223364 0.0000000), wk = 0.0028409 k( 223) = ( 0.2654538 -0.5085907 0.0000000), wk = 0.0028409 k( 224) = ( 0.2582794 -0.4948450 0.0000000), wk = 0.0028409 k( 225) = ( 0.2511049 -0.4810993 0.0000000), wk = 0.0028409 k( 226) = ( 0.2439305 -0.4673536 0.0000000), wk = 0.0028409 k( 227) = ( 0.2367561 -0.4536079 0.0000000), wk = 0.0028409 k( 228) = ( 0.2295817 -0.4398622 0.0000000), wk = 0.0028409 k( 229) = ( 0.2224072 -0.4261165 0.0000000), wk = 0.0028409 k( 230) = ( 0.2152328 -0.4123708 0.0000000), wk = 0.0028409 k( 231) = ( 0.2080584 -0.3986251 0.0000000), wk = 0.0028409 k( 232) = ( 0.2008840 -0.3848794 0.0000000), wk = 0.0028409 k( 233) = ( 0.1937095 -0.3711337 0.0000000), wk = 0.0028409 k( 234) = ( 0.1865351 -0.3573880 0.0000000), wk = 0.0028409 k( 235) = ( 0.1793607 -0.3436424 0.0000000), wk = 0.0028409 k( 236) = ( 0.1721863 -0.3298967 0.0000000), wk = 0.0028409 k( 237) = ( 0.1650118 -0.3161510 0.0000000), wk = 0.0028409 k( 238) = ( 0.1578374 -0.3024053 0.0000000), wk = 0.0028409 k( 239) = ( 0.1506630 -0.2886596 0.0000000), wk = 0.0028409 k( 240) = ( 0.1434885 -0.2749139 0.0000000), wk = 0.0028409 k( 241) = ( 0.1363141 -0.2611682 0.0000000), wk = 0.0028409 k( 242) = ( 0.1291397 -0.2474225 0.0000000), wk = 0.0028409 k( 243) = ( 0.1219653 -0.2336768 0.0000000), wk = 0.0028409 k( 244) = ( 0.1147908 -0.2199311 0.0000000), wk = 0.0028409 k( 245) = ( 0.1076164 -0.2061854 0.0000000), wk = 0.0028409 k( 246) = ( 0.1004420 -0.1924397 0.0000000), wk = 0.0028409 k( 247) = ( 0.0932676 -0.1786940 0.0000000), wk = 0.0028409 k( 248) = ( 0.0860931 -0.1649483 0.0000000), wk = 0.0028409 k( 249) = ( 0.0789187 -0.1512026 0.0000000), wk = 0.0028409 k( 250) = ( 0.0717443 -0.1374569 0.0000000), wk = 0.0028409 k( 251) = ( 0.0645698 -0.1237112 0.0000000), wk = 0.0028409 k( 252) = ( 0.0573954 -0.1099656 0.0000000), wk = 0.0028409 k( 253) = ( 0.0502210 -0.0962199 0.0000000), wk = 0.0028409 k( 254) = ( 0.0430466 -0.0824742 0.0000000), wk = 0.0028409 k( 255) = ( 0.0358721 -0.0687285 0.0000000), wk = 0.0028409 k( 256) = ( 0.0286977 -0.0549828 0.0000000), wk = 0.0028409 k( 257) = ( 0.0215233 -0.0412371 0.0000000), wk = 0.0028409 k( 258) = ( 0.0143488 -0.0274914 0.0000000), wk = 0.0028409 k( 259) = ( 0.0071744 -0.0137457 0.0000000), wk = 0.0028409 k( 260) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 261) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 262) = ( 0.0121951 -0.0084999 -0.0036418), wk = 0.0028409 k( 263) = ( 0.0243902 -0.0169999 -0.0072836), wk = 0.0028409 k( 264) = ( 0.0365854 -0.0254998 -0.0109254), wk = 0.0028409 k( 265) = ( 0.0487805 -0.0339997 -0.0145672), wk = 0.0028409 k( 266) = ( 0.0609756 -0.0424997 -0.0182090), wk = 0.0028409 k( 267) = ( 0.0731707 -0.0509996 -0.0218508), wk = 0.0028409 k( 268) = ( 0.0853658 -0.0594995 -0.0254925), wk = 0.0028409 k( 269) = ( 0.0975610 -0.0679995 -0.0291343), wk = 0.0028409 k( 270) = ( 0.1097561 -0.0764994 -0.0327761), wk = 0.0028409 k( 271) = ( 0.1219512 -0.0849993 -0.0364179), wk = 0.0028409 k( 272) = ( 0.1341463 -0.0934993 -0.0400597), wk = 0.0028409 k( 273) = ( 0.1463415 -0.1019992 -0.0437015), wk = 0.0028409 k( 274) = ( 0.1585366 -0.1104992 -0.0473433), wk = 0.0028409 k( 275) = ( 0.1707317 -0.1189991 -0.0509851), wk = 0.0028409 k( 276) = ( 0.1829268 -0.1274990 -0.0546269), wk = 0.0028409 k( 277) = ( 0.1951219 -0.1359990 -0.0582687), wk = 0.0028409 k( 278) = ( 0.2073171 -0.1444989 -0.0619105), wk = 0.0028409 k( 279) = ( 0.2195122 -0.1529988 -0.0655523), wk = 0.0028409 k( 280) = ( 0.2317073 -0.1614988 -0.0691941), wk = 0.0028409 k( 281) = ( 0.2439024 -0.1699987 -0.0728359), wk = 0.0028409 k( 282) = ( 0.2560976 -0.1784986 -0.0764776), wk = 0.0028409 k( 283) = ( 0.2682927 -0.1869986 -0.0801194), wk = 0.0028409 k( 284) = ( 0.2804878 -0.1954985 -0.0837612), wk = 0.0028409 k( 285) = ( 0.2926829 -0.2039984 -0.0874030), wk = 0.0028409 k( 286) = ( 0.3048781 -0.2124984 -0.0910448), wk = 0.0028409 k( 287) = ( 0.3170732 -0.2209983 -0.0946866), wk = 0.0028409 k( 288) = ( 0.3292683 -0.2294982 -0.0983284), wk = 0.0028409 k( 289) = ( 0.3414634 -0.2379982 -0.1019702), wk = 0.0028409 k( 290) = ( 0.3536585 -0.2464981 -0.1056120), wk = 0.0028409 k( 291) = ( 0.3658537 -0.2549980 -0.1092538), wk = 0.0028409 k( 292) = ( 0.3780488 -0.2634980 -0.1128956), wk = 0.0028409 k( 293) = ( 0.3902439 -0.2719979 -0.1165374), wk = 0.0028409 k( 294) = ( 0.4024390 -0.2804978 -0.1201792), wk = 0.0028409 k( 295) = ( 0.4146341 -0.2889978 -0.1238210), wk = 0.0028409 k( 296) = ( 0.4268293 -0.2974977 -0.1274627), wk = 0.0028409 k( 297) = ( 0.4390244 -0.3059976 -0.1311045), wk = 0.0028409 k( 298) = ( 0.4512195 -0.3144976 -0.1347463), wk = 0.0028409 k( 299) = ( 0.4634146 -0.3229975 -0.1383881), wk = 0.0028409 k( 300) = ( 0.4756098 -0.3314974 -0.1420299), wk = 0.0028409 k( 301) = ( 0.4878049 -0.3399974 -0.1456717), wk = 0.0028409 k( 302) = ( 0.5000000 -0.3484973 -0.1493135), wk = 0.0028409 k( 303) = ( 0.5000000 -0.3484973 0.4324449), wk = 0.0028409 k( 304) = ( 0.4897959 -0.3413851 0.4236195), wk = 0.0028409 k( 305) = ( 0.4795918 -0.3342729 0.4147941), wk = 0.0028409 k( 306) = ( 0.4693878 -0.3271607 0.4059687), wk = 0.0028409 k( 307) = ( 0.4591837 -0.3200485 0.3971433), wk = 0.0028409 k( 308) = ( 0.4489796 -0.3129364 0.3883179), wk = 0.0028409 k( 309) = ( 0.4387755 -0.3058242 0.3794924), wk = 0.0028409 k( 310) = ( 0.4285714 -0.2987120 0.3706670), wk = 0.0028409 k( 311) = ( 0.4183674 -0.2915998 0.3618416), wk = 0.0028409 k( 312) = ( 0.4081633 -0.2844876 0.3530162), wk = 0.0028409 k( 313) = ( 0.3979592 -0.2773754 0.3441908), wk = 0.0028409 k( 314) = ( 0.3877551 -0.2702632 0.3353654), wk = 0.0028409 k( 315) = ( 0.3775510 -0.2631510 0.3265400), wk = 0.0028409 k( 316) = ( 0.3673469 -0.2560388 0.3177146), wk = 0.0028409 k( 317) = ( 0.3571429 -0.2489267 0.3088892), wk = 0.0028409 k( 318) = ( 0.3469388 -0.2418145 0.3000638), wk = 0.0028409 k( 319) = ( 0.3367347 -0.2347023 0.2912384), wk = 0.0028409 k( 320) = ( 0.3265306 -0.2275901 0.2824130), wk = 0.0028409 k( 321) = ( 0.3163265 -0.2204779 0.2735876), wk = 0.0028409 k( 322) = ( 0.3061224 -0.2133657 0.2647622), wk = 0.0028409 k( 323) = ( 0.2959184 -0.2062535 0.2559368), wk = 0.0028409 k( 324) = ( 0.2857143 -0.1991413 0.2471114), wk = 0.0028409 k( 325) = ( 0.2755102 -0.1920291 0.2382860), wk = 0.0028409 k( 326) = ( 0.2653061 -0.1849169 0.2294605), wk = 0.0028409 k( 327) = ( 0.2551020 -0.1778048 0.2206351), wk = 0.0028409 k( 328) = ( 0.2448980 -0.1706926 0.2118097), wk = 0.0028409 k( 329) = ( 0.2346939 -0.1635804 0.2029843), wk = 0.0028409 k( 330) = ( 0.2244898 -0.1564682 0.1941589), wk = 0.0028409 k( 331) = ( 0.2142857 -0.1493560 0.1853335), wk = 0.0028409 k( 332) = ( 0.2040816 -0.1422438 0.1765081), wk = 0.0028409 k( 333) = ( 0.1938776 -0.1351316 0.1676827), wk = 0.0028409 k( 334) = ( 0.1836735 -0.1280194 0.1588573), wk = 0.0028409 k( 335) = ( 0.1734694 -0.1209072 0.1500319), wk = 0.0028409 k( 336) = ( 0.1632653 -0.1137950 0.1412065), wk = 0.0028409 k( 337) = ( 0.1530612 -0.1066828 0.1323811), wk = 0.0028409 k( 338) = ( 0.1428571 -0.0995707 0.1235557), wk = 0.0028409 k( 339) = ( 0.1326531 -0.0924585 0.1147303), wk = 0.0028409 k( 340) = ( 0.1224490 -0.0853463 0.1059049), wk = 0.0028409 k( 341) = ( 0.1122449 -0.0782341 0.0970795), wk = 0.0028409 k( 342) = ( 0.1020408 -0.0711219 0.0882541), wk = 0.0028409 k( 343) = ( 0.0918367 -0.0640097 0.0794286), wk = 0.0028409 k( 344) = ( 0.0816327 -0.0568975 0.0706032), wk = 0.0028409 k( 345) = ( 0.0714286 -0.0497853 0.0617778), wk = 0.0028409 k( 346) = ( 0.0612245 -0.0426731 0.0529524), wk = 0.0028409 k( 347) = ( 0.0510204 -0.0355610 0.0441270), wk = 0.0028409 k( 348) = ( 0.0408163 -0.0284488 0.0353016), wk = 0.0028409 k( 349) = ( 0.0306122 -0.0213366 0.0264762), wk = 0.0028409 k( 350) = ( 0.0204082 -0.0142244 0.0176508), wk = 0.0028409 k( 351) = ( 0.0102041 -0.0071122 0.0088254), wk = 0.0028409 k( 352) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 2) = ( 0.0119048 0.0119048 0.0000000), wk = 0.0028409 k( 3) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0028409 k( 4) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0028409 k( 5) = ( 0.0476191 0.0476191 0.0000000), wk = 0.0028409 k( 6) = ( 0.0595238 0.0595238 -0.0000000), wk = 0.0028409 k( 7) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0028409 k( 8) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0028409 k( 9) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0028409 k( 10) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0028409 k( 11) = ( 0.1190476 0.1190476 -0.0000000), wk = 0.0028409 k( 12) = ( 0.1309524 0.1309524 0.0000000), wk = 0.0028409 k( 13) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0028409 k( 14) = ( 0.1547619 0.1547619 0.0000000), wk = 0.0028409 k( 15) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0028409 k( 16) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0028409 k( 17) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0028409 k( 18) = ( 0.2023810 0.2023810 -0.0000000), wk = 0.0028409 k( 19) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0028409 k( 20) = ( 0.2261905 0.2261905 0.0000000), wk = 0.0028409 k( 21) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0028409 k( 22) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0028409 k( 23) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0028409 k( 24) = ( 0.2738095 0.2738095 0.0000000), wk = 0.0028409 k( 25) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0028409 k( 26) = ( 0.2976190 0.2976190 0.0000000), wk = 0.0028409 k( 27) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0028409 k( 28) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0028409 k( 29) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028409 k( 30) = ( 0.3452381 0.3452381 -0.0000000), wk = 0.0028409 k( 31) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0028409 k( 32) = ( 0.3690476 0.3690476 -0.0000000), wk = 0.0028409 k( 33) = ( 0.3809524 0.3809524 -0.0000000), wk = 0.0028409 k( 34) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0028409 k( 35) = ( 0.4047619 0.4047619 -0.0000000), wk = 0.0028409 k( 36) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0028409 k( 37) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0028409 k( 38) = ( 0.4404762 0.4404762 -0.0000000), wk = 0.0028409 k( 39) = ( 0.4523810 0.4523810 0.0000000), wk = 0.0028409 k( 40) = ( 0.4642857 0.4642857 0.0000000), wk = 0.0028409 k( 41) = ( 0.4761905 0.4761905 -0.0000000), wk = 0.0028409 k( 42) = ( 0.4880952 0.4880952 0.0000000), wk = 0.0028409 k( 43) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028409 k( 44) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028409 k( 45) = ( 0.5063284 0.5063284 0.0148362), wk = 0.0028409 k( 46) = ( 0.5126569 0.5126569 0.0296723), wk = 0.0028409 k( 47) = ( 0.5189853 0.5189853 0.0445085), wk = 0.0028409 k( 48) = ( 0.5253138 0.5253138 0.0593447), wk = 0.0028409 k( 49) = ( 0.5316422 0.5316422 0.0741809), wk = 0.0028409 k( 50) = ( 0.5379707 0.5379707 0.0890170), wk = 0.0028409 k( 51) = ( 0.5442991 0.5442991 0.1038532), wk = 0.0028409 k( 52) = ( 0.5506275 0.5506275 0.1186894), wk = 0.0028409 k( 53) = ( 0.5569560 0.5569560 0.1335255), wk = 0.0028409 k( 54) = ( 0.5632844 0.5632844 0.1483617), wk = 0.0028409 k( 55) = ( 0.5696129 0.5696129 0.1631979), wk = 0.0028409 k( 56) = ( 0.5759413 0.5759413 0.1780341), wk = 0.0028409 k( 57) = ( 0.5822698 0.5822698 0.1928702), wk = 0.0028409 k( 58) = ( 0.5885982 0.5885982 0.2077064), wk = 0.0028409 k( 59) = ( 0.5949266 0.5949266 0.2225426), wk = 0.0028409 k( 60) = ( 0.6012551 0.6012551 0.2373787), wk = 0.0028409 k( 61) = ( 0.6075835 0.6075835 0.2522149), wk = 0.0028409 k( 62) = ( 0.6139120 0.6139120 0.2670511), wk = 0.0028409 k( 63) = ( 0.6202404 0.6202404 0.2818873), wk = 0.0028409 k( 64) = ( 0.6265688 0.6265688 0.2967234), wk = 0.0028409 k( 65) = ( 0.6328973 0.6328973 0.3115596), wk = 0.0028409 k( 66) = ( 0.6328973 0.6328973 0.3115596), wk = 0.0028409 k( 67) = ( 0.6268565 0.6268565 0.3201251), wk = 0.0028409 k( 68) = ( 0.6208157 0.6208157 0.3286906), wk = 0.0028409 k( 69) = ( 0.6147749 0.6147749 0.3372560), wk = 0.0028409 k( 70) = ( 0.6087341 0.6087341 0.3458215), wk = 0.0028409 k( 71) = ( 0.6026934 0.6026934 0.3543870), wk = 0.0028409 k( 72) = ( 0.5966526 0.5966526 0.3629524), wk = 0.0028409 k( 73) = ( 0.5906118 0.5906118 0.3715179), wk = 0.0028409 k( 74) = ( 0.5845710 0.5845710 0.3800834), wk = 0.0028409 k( 75) = ( 0.5785302 0.5785302 0.3886489), wk = 0.0028409 k( 76) = ( 0.5724894 0.5724894 0.3972143), wk = 0.0028409 k( 77) = ( 0.5664486 0.5664486 0.4057798), wk = 0.0028409 k( 78) = ( 0.5604079 0.5604079 0.4143453), wk = 0.0028409 k( 79) = ( 0.5543671 0.5543671 0.4229108), wk = 0.0028409 k( 80) = ( 0.5483263 0.5483263 0.4314762), wk = 0.0028409 k( 81) = ( 0.5422855 0.5422855 0.4400417), wk = 0.0028409 k( 82) = ( 0.5362447 0.5362447 0.4486072), wk = 0.0028409 k( 83) = ( 0.5302039 0.5302039 0.4571726), wk = 0.0028409 k( 84) = ( 0.5241631 0.5241631 0.4657381), wk = 0.0028409 k( 85) = ( 0.5181224 0.5181224 0.4743036), wk = 0.0028409 k( 86) = ( 0.5120816 0.5120816 0.4828691), wk = 0.0028409 k( 87) = ( 0.5060408 0.5060408 0.4914345), wk = 0.0028409 k( 88) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028409 k( 89) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028409 k( 90) = ( 0.5071876 0.4928124 0.5000000), wk = 0.0028409 k( 91) = ( 0.5143752 0.4856248 0.5000000), wk = 0.0028409 k( 92) = ( 0.5215629 0.4784371 0.5000000), wk = 0.0028409 k( 93) = ( 0.5287505 0.4712495 0.5000000), wk = 0.0028409 k( 94) = ( 0.5359381 0.4640619 0.5000000), wk = 0.0028409 k( 95) = ( 0.5431257 0.4568743 0.5000000), wk = 0.0028409 k( 96) = ( 0.5503133 0.4496867 0.5000000), wk = 0.0028409 k( 97) = ( 0.5575010 0.4424990 0.5000000), wk = 0.0028409 k( 98) = ( 0.5646886 0.4353114 0.5000000), wk = 0.0028409 k( 99) = ( 0.5718762 0.4281238 0.5000000), wk = 0.0028409 k( 100) = ( 0.5790638 0.4209362 0.5000000), wk = 0.0028409 k( 101) = ( 0.5862514 0.4137486 0.5000000), wk = 0.0028409 k( 102) = ( 0.5934391 0.4065609 0.5000000), wk = 0.0028409 k( 103) = ( 0.6006267 0.3993733 0.5000000), wk = 0.0028409 k( 104) = ( 0.6078143 0.3921857 0.5000000), wk = 0.0028409 k( 105) = ( 0.6150019 0.3849981 0.5000000), wk = 0.0028409 k( 106) = ( 0.6221895 0.3778105 0.5000000), wk = 0.0028409 k( 107) = ( 0.6293772 0.3706228 0.5000000), wk = 0.0028409 k( 108) = ( 0.6365648 0.3634352 0.5000000), wk = 0.0028409 k( 109) = ( 0.6437524 0.3562476 0.5000000), wk = 0.0028409 k( 110) = ( 0.6509400 0.3490600 0.5000000), wk = 0.0028409 k( 111) = ( 0.6581276 0.3418723 0.5000000), wk = 0.0028409 k( 112) = ( 0.6653153 0.3346847 0.5000000), wk = 0.0028409 k( 113) = ( 0.6725029 0.3274971 0.5000000), wk = 0.0028409 k( 114) = ( 0.6796905 0.3203095 0.5000000), wk = 0.0028409 k( 115) = ( 0.6868781 0.3131219 0.5000000), wk = 0.0028409 k( 116) = ( 0.6940658 0.3059343 0.5000000), wk = 0.0028409 k( 117) = ( 0.7012534 0.2987466 0.5000000), wk = 0.0028409 k( 118) = ( 0.7084410 0.2915590 0.5000000), wk = 0.0028409 k( 119) = ( 0.7156286 0.2843714 0.5000000), wk = 0.0028409 k( 120) = ( 0.7228162 0.2771838 0.5000000), wk = 0.0028409 k( 121) = ( 0.7300039 0.2699961 0.5000000), wk = 0.0028409 k( 122) = ( 0.7371915 0.2628085 0.5000000), wk = 0.0028409 k( 123) = ( 0.2628085 -0.2628085 0.5000000), wk = 0.0028409 k( 124) = ( 0.2557056 -0.2557056 0.5000000), wk = 0.0028409 k( 125) = ( 0.2486027 -0.2486027 0.5000000), wk = 0.0028409 k( 126) = ( 0.2414997 -0.2414997 0.5000000), wk = 0.0028409 k( 127) = ( 0.2343968 -0.2343968 0.5000000), wk = 0.0028409 k( 128) = ( 0.2272939 -0.2272939 0.5000000), wk = 0.0028409 k( 129) = ( 0.2201909 -0.2201909 0.5000000), wk = 0.0028409 k( 130) = ( 0.2130880 -0.2130880 0.5000000), wk = 0.0028409 k( 131) = ( 0.2059851 -0.2059851 0.5000000), wk = 0.0028409 k( 132) = ( 0.1988821 -0.1988821 0.5000000), wk = 0.0028409 k( 133) = ( 0.1917792 -0.1917792 0.5000000), wk = 0.0028409 k( 134) = ( 0.1846763 -0.1846763 0.5000000), wk = 0.0028409 k( 135) = ( 0.1775733 -0.1775733 0.5000000), wk = 0.0028409 k( 136) = ( 0.1704704 -0.1704704 0.5000000), wk = 0.0028409 k( 137) = ( 0.1633675 -0.1633675 0.5000000), wk = 0.0028409 k( 138) = ( 0.1562645 -0.1562645 0.5000000), wk = 0.0028409 k( 139) = ( 0.1491616 -0.1491616 0.5000000), wk = 0.0028409 k( 140) = ( 0.1420587 -0.1420587 0.5000000), wk = 0.0028409 k( 141) = ( 0.1349557 -0.1349557 0.5000000), wk = 0.0028409 k( 142) = ( 0.1278528 -0.1278528 0.5000000), wk = 0.0028409 k( 143) = ( 0.1207499 -0.1207499 0.5000000), wk = 0.0028409 k( 144) = ( 0.1136469 -0.1136469 0.5000000), wk = 0.0028409 k( 145) = ( 0.1065440 -0.1065440 0.5000000), wk = 0.0028409 k( 146) = ( 0.0994411 -0.0994411 0.5000000), wk = 0.0028409 k( 147) = ( 0.0923381 -0.0923381 0.5000000), wk = 0.0028409 k( 148) = ( 0.0852352 -0.0852352 0.5000000), wk = 0.0028409 k( 149) = ( 0.0781323 -0.0781323 0.5000000), wk = 0.0028409 k( 150) = ( 0.0710293 -0.0710293 0.5000000), wk = 0.0028409 k( 151) = ( 0.0639264 -0.0639264 0.5000000), wk = 0.0028409 k( 152) = ( 0.0568235 -0.0568235 0.5000000), wk = 0.0028409 k( 153) = ( 0.0497205 -0.0497205 0.5000000), wk = 0.0028409 k( 154) = ( 0.0426176 -0.0426176 0.5000000), wk = 0.0028409 k( 155) = ( 0.0355147 -0.0355147 0.5000000), wk = 0.0028409 k( 156) = ( 0.0284117 -0.0284117 0.5000000), wk = 0.0028409 k( 157) = ( 0.0213088 -0.0213088 0.5000000), wk = 0.0028409 k( 158) = ( 0.0142059 -0.0142059 0.5000000), wk = 0.0028409 k( 159) = ( 0.0071029 -0.0071029 0.5000000), wk = 0.0028409 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028409 k( 161) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028409 k( 162) = ( 0.0135964 0.0135964 0.5069793), wk = 0.0028409 k( 163) = ( 0.0271928 0.0271928 0.5139586), wk = 0.0028409 k( 164) = ( 0.0407892 0.0407892 0.5209378), wk = 0.0028409 k( 165) = ( 0.0543856 0.0543856 0.5279171), wk = 0.0028409 k( 166) = ( 0.0679820 0.0679820 0.5348964), wk = 0.0028409 k( 167) = ( 0.0815784 0.0815784 0.5418756), wk = 0.0028409 k( 168) = ( 0.0951748 0.0951748 0.5488549), wk = 0.0028409 k( 169) = ( 0.1087712 0.1087712 0.5558342), wk = 0.0028409 k( 170) = ( 0.1223676 0.1223676 0.5628135), wk = 0.0028409 k( 171) = ( 0.1359640 0.1359640 0.5697927), wk = 0.0028409 k( 172) = ( 0.1495604 0.1495604 0.5767720), wk = 0.0028409 k( 173) = ( 0.1631568 0.1631568 0.5837513), wk = 0.0028409 k( 174) = ( 0.1767531 0.1767532 0.5907306), wk = 0.0028409 k( 175) = ( 0.1903496 0.1903496 0.5977098), wk = 0.0028409 k( 176) = ( 0.2039459 0.2039459 0.6046891), wk = 0.0028409 k( 177) = ( 0.2175423 0.2175423 0.6116684), wk = 0.0028409 k( 178) = ( 0.2311387 0.2311387 0.6186477), wk = 0.0028409 k( 179) = ( 0.2447351 0.2447351 0.6256269), wk = 0.0028409 k( 180) = ( 0.2583315 0.2583315 0.6326062), wk = 0.0028409 k( 181) = ( 0.2719279 0.2719279 0.6395855), wk = 0.0028409 k( 182) = ( 0.2855243 0.2855243 0.6465648), wk = 0.0028409 k( 183) = ( 0.2991207 0.2991207 0.6535440), wk = 0.0028409 k( 184) = ( 0.3127171 0.3127171 0.6605233), wk = 0.0028409 k( 185) = ( 0.3263135 0.3263135 0.6675026), wk = 0.0028409 k( 186) = ( 0.3399099 0.3399099 0.6744818), wk = 0.0028409 k( 187) = ( 0.3535063 0.3535063 0.6814611), wk = 0.0028409 k( 188) = ( 0.3671027 0.3671027 0.6884404), wk = 0.0028409 k( 189) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028409 k( 190) = ( 0.5070783 0.4929217 0.0000000), wk = 0.0028409 k( 191) = ( 0.5141567 0.4858433 0.0000000), wk = 0.0028409 k( 192) = ( 0.5212350 0.4787650 0.0000000), wk = 0.0028409 k( 193) = ( 0.5283134 0.4716866 0.0000000), wk = 0.0028409 k( 194) = ( 0.5353917 0.4646083 0.0000000), wk = 0.0028409 k( 195) = ( 0.5424701 0.4575299 0.0000000), wk = 0.0028409 k( 196) = ( 0.5495484 0.4504516 0.0000000), wk = 0.0028409 k( 197) = ( 0.5566268 0.4433732 0.0000000), wk = 0.0028409 k( 198) = ( 0.5637051 0.4362949 0.0000000), wk = 0.0028409 k( 199) = ( 0.5707834 0.4292165 -0.0000000), wk = 0.0028409 k( 200) = ( 0.5778618 0.4221382 0.0000000), wk = 0.0028409 k( 201) = ( 0.5849401 0.4150599 0.0000000), wk = 0.0028409 k( 202) = ( 0.5920185 0.4079815 0.0000000), wk = 0.0028409 k( 203) = ( 0.5990968 0.4009032 0.0000000), wk = 0.0028409 k( 204) = ( 0.6061752 0.3938248 0.0000000), wk = 0.0028409 k( 205) = ( 0.6132535 0.3867465 0.0000000), wk = 0.0028409 k( 206) = ( 0.6203319 0.3796681 0.0000000), wk = 0.0028409 k( 207) = ( 0.6274102 0.3725898 -0.0000000), wk = 0.0028409 k( 208) = ( 0.6344886 0.3655115 0.0000000), wk = 0.0028409 k( 209) = ( 0.6415669 0.3584331 0.0000000), wk = 0.0028409 k( 210) = ( 0.6486452 0.3513548 0.0000000), wk = 0.0028409 k( 211) = ( 0.6557236 0.3442764 0.0000000), wk = 0.0028409 k( 212) = ( 0.6628019 0.3371981 0.0000000), wk = 0.0028409 k( 213) = ( 0.3371981 -0.3371981 0.0000000), wk = 0.0028409 k( 214) = ( 0.3300236 -0.3300236 0.0000000), wk = 0.0028409 k( 215) = ( 0.3228492 -0.3228492 -0.0000000), wk = 0.0028409 k( 216) = ( 0.3156748 -0.3156748 0.0000000), wk = 0.0028409 k( 217) = ( 0.3085004 -0.3085004 -0.0000000), wk = 0.0028409 k( 218) = ( 0.3013259 -0.3013259 0.0000000), wk = 0.0028409 k( 219) = ( 0.2941515 -0.2941515 0.0000000), wk = 0.0028409 k( 220) = ( 0.2869771 -0.2869771 -0.0000000), wk = 0.0028409 k( 221) = ( 0.2798026 -0.2798027 -0.0000000), wk = 0.0028409 k( 222) = ( 0.2726282 -0.2726282 -0.0000000), wk = 0.0028409 k( 223) = ( 0.2654538 -0.2654538 0.0000000), wk = 0.0028409 k( 224) = ( 0.2582794 -0.2582794 -0.0000000), wk = 0.0028409 k( 225) = ( 0.2511049 -0.2511050 -0.0000000), wk = 0.0028409 k( 226) = ( 0.2439305 -0.2439305 -0.0000000), wk = 0.0028409 k( 227) = ( 0.2367561 -0.2367561 -0.0000000), wk = 0.0028409 k( 228) = ( 0.2295817 -0.2295817 0.0000000), wk = 0.0028409 k( 229) = ( 0.2224072 -0.2224072 -0.0000000), wk = 0.0028409 k( 230) = ( 0.2152328 -0.2152328 -0.0000000), wk = 0.0028409 k( 231) = ( 0.2080584 -0.2080584 -0.0000000), wk = 0.0028409 k( 232) = ( 0.2008840 -0.2008840 -0.0000000), wk = 0.0028409 k( 233) = ( 0.1937095 -0.1937095 -0.0000000), wk = 0.0028409 k( 234) = ( 0.1865351 -0.1865351 0.0000000), wk = 0.0028409 k( 235) = ( 0.1793607 -0.1793607 0.0000000), wk = 0.0028409 k( 236) = ( 0.1721863 -0.1721863 -0.0000000), wk = 0.0028409 k( 237) = ( 0.1650118 -0.1650118 0.0000000), wk = 0.0028409 k( 238) = ( 0.1578374 -0.1578374 0.0000000), wk = 0.0028409 k( 239) = ( 0.1506630 -0.1506630 0.0000000), wk = 0.0028409 k( 240) = ( 0.1434885 -0.1434885 -0.0000000), wk = 0.0028409 k( 241) = ( 0.1363141 -0.1363141 -0.0000000), wk = 0.0028409 k( 242) = ( 0.1291397 -0.1291397 -0.0000000), wk = 0.0028409 k( 243) = ( 0.1219653 -0.1219653 -0.0000000), wk = 0.0028409 k( 244) = ( 0.1147908 -0.1147908 -0.0000000), wk = 0.0028409 k( 245) = ( 0.1076164 -0.1076164 0.0000000), wk = 0.0028409 k( 246) = ( 0.1004420 -0.1004420 -0.0000000), wk = 0.0028409 k( 247) = ( 0.0932676 -0.0932676 0.0000000), wk = 0.0028409 k( 248) = ( 0.0860931 -0.0860931 0.0000000), wk = 0.0028409 k( 249) = ( 0.0789187 -0.0789187 0.0000000), wk = 0.0028409 k( 250) = ( 0.0717443 -0.0717443 -0.0000000), wk = 0.0028409 k( 251) = ( 0.0645698 -0.0645698 -0.0000000), wk = 0.0028409 k( 252) = ( 0.0573954 -0.0573954 -0.0000000), wk = 0.0028409 k( 253) = ( 0.0502210 -0.0502210 -0.0000000), wk = 0.0028409 k( 254) = ( 0.0430466 -0.0430466 0.0000000), wk = 0.0028409 k( 255) = ( 0.0358721 -0.0358721 -0.0000000), wk = 0.0028409 k( 256) = ( 0.0286977 -0.0286977 -0.0000000), wk = 0.0028409 k( 257) = ( 0.0215233 -0.0215233 0.0000000), wk = 0.0028409 k( 258) = ( 0.0143488 -0.0143488 0.0000000), wk = 0.0028409 k( 259) = ( 0.0071744 -0.0071744 -0.0000000), wk = 0.0028409 k( 260) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 261) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 262) = ( 0.0121951 -0.0000000 0.0000000), wk = 0.0028409 k( 263) = ( 0.0243902 -0.0000000 0.0000000), wk = 0.0028409 k( 264) = ( 0.0365854 -0.0000000 -0.0000000), wk = 0.0028409 k( 265) = ( 0.0487805 -0.0000000 0.0000000), wk = 0.0028409 k( 266) = ( 0.0609756 0.0000000 0.0000000), wk = 0.0028409 k( 267) = ( 0.0731707 -0.0000000 -0.0000000), wk = 0.0028409 k( 268) = ( 0.0853658 0.0000000 0.0000000), wk = 0.0028409 k( 269) = ( 0.0975610 -0.0000000 0.0000000), wk = 0.0028409 k( 270) = ( 0.1097561 -0.0000000 -0.0000000), wk = 0.0028409 k( 271) = ( 0.1219512 0.0000000 0.0000000), wk = 0.0028409 k( 272) = ( 0.1341463 0.0000000 0.0000000), wk = 0.0028409 k( 273) = ( 0.1463415 -0.0000000 -0.0000000), wk = 0.0028409 k( 274) = ( 0.1585366 0.0000000 0.0000000), wk = 0.0028409 k( 275) = ( 0.1707317 0.0000000 -0.0000000), wk = 0.0028409 k( 276) = ( 0.1829268 -0.0000000 -0.0000000), wk = 0.0028409 k( 277) = ( 0.1951219 0.0000000 0.0000000), wk = 0.0028409 k( 278) = ( 0.2073171 -0.0000000 0.0000000), wk = 0.0028409 k( 279) = ( 0.2195122 -0.0000000 -0.0000000), wk = 0.0028409 k( 280) = ( 0.2317073 -0.0000000 -0.0000000), wk = 0.0028409 k( 281) = ( 0.2439024 0.0000000 0.0000000), wk = 0.0028409 k( 282) = ( 0.2560976 -0.0000000 0.0000000), wk = 0.0028409 k( 283) = ( 0.2682927 0.0000000 0.0000000), wk = 0.0028409 k( 284) = ( 0.2804878 0.0000000 0.0000000), wk = 0.0028409 k( 285) = ( 0.2926829 0.0000000 -0.0000000), wk = 0.0028409 k( 286) = ( 0.3048781 -0.0000000 -0.0000000), wk = 0.0028409 k( 287) = ( 0.3170732 -0.0000000 -0.0000000), wk = 0.0028409 k( 288) = ( 0.3292683 -0.0000000 -0.0000000), wk = 0.0028409 k( 289) = ( 0.3414634 -0.0000000 -0.0000000), wk = 0.0028409 k( 290) = ( 0.3536585 -0.0000000 0.0000000), wk = 0.0028409 k( 291) = ( 0.3658537 -0.0000000 -0.0000000), wk = 0.0028409 k( 292) = ( 0.3780488 -0.0000000 0.0000000), wk = 0.0028409 k( 293) = ( 0.3902439 0.0000000 0.0000000), wk = 0.0028409 k( 294) = ( 0.4024390 0.0000000 0.0000000), wk = 0.0028409 k( 295) = ( 0.4146341 0.0000000 0.0000000), wk = 0.0028409 k( 296) = ( 0.4268293 -0.0000000 0.0000000), wk = 0.0028409 k( 297) = ( 0.4390244 0.0000000 0.0000000), wk = 0.0028409 k( 298) = ( 0.4512195 0.0000000 -0.0000000), wk = 0.0028409 k( 299) = ( 0.4634146 -0.0000000 -0.0000000), wk = 0.0028409 k( 300) = ( 0.4756098 -0.0000000 -0.0000000), wk = 0.0028409 k( 301) = ( 0.4878049 0.0000000 0.0000000), wk = 0.0028409 k( 302) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028409 k( 303) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028409 k( 304) = ( 0.4897959 -0.0000000 0.4897959), wk = 0.0028409 k( 305) = ( 0.4795918 0.0000000 0.4795918), wk = 0.0028409 k( 306) = ( 0.4693878 0.0000000 0.4693878), wk = 0.0028409 k( 307) = ( 0.4591837 -0.0000000 0.4591837), wk = 0.0028409 k( 308) = ( 0.4489796 0.0000000 0.4489796), wk = 0.0028409 k( 309) = ( 0.4387755 -0.0000000 0.4387755), wk = 0.0028409 k( 310) = ( 0.4285714 -0.0000000 0.4285714), wk = 0.0028409 k( 311) = ( 0.4183674 -0.0000000 0.4183673), wk = 0.0028409 k( 312) = ( 0.4081633 -0.0000000 0.4081633), wk = 0.0028409 k( 313) = ( 0.3979592 0.0000000 0.3979592), wk = 0.0028409 k( 314) = ( 0.3877551 -0.0000000 0.3877551), wk = 0.0028409 k( 315) = ( 0.3775510 -0.0000000 0.3775510), wk = 0.0028409 k( 316) = ( 0.3673469 -0.0000000 0.3673469), wk = 0.0028409 k( 317) = ( 0.3571429 -0.0000000 0.3571429), wk = 0.0028409 k( 318) = ( 0.3469388 -0.0000000 0.3469388), wk = 0.0028409 k( 319) = ( 0.3367347 -0.0000000 0.3367347), wk = 0.0028409 k( 320) = ( 0.3265306 0.0000000 0.3265306), wk = 0.0028409 k( 321) = ( 0.3163265 -0.0000000 0.3163265), wk = 0.0028409 k( 322) = ( 0.3061224 0.0000000 0.3061225), wk = 0.0028409 k( 323) = ( 0.2959184 -0.0000000 0.2959184), wk = 0.0028409 k( 324) = ( 0.2857143 -0.0000000 0.2857143), wk = 0.0028409 k( 325) = ( 0.2755102 -0.0000000 0.2755102), wk = 0.0028409 k( 326) = ( 0.2653061 0.0000000 0.2653061), wk = 0.0028409 k( 327) = ( 0.2551020 -0.0000000 0.2551020), wk = 0.0028409 k( 328) = ( 0.2448980 -0.0000000 0.2448980), wk = 0.0028409 k( 329) = ( 0.2346939 0.0000000 0.2346939), wk = 0.0028409 k( 330) = ( 0.2244898 0.0000000 0.2244898), wk = 0.0028409 k( 331) = ( 0.2142857 0.0000000 0.2142857), wk = 0.0028409 k( 332) = ( 0.2040816 0.0000000 0.2040816), wk = 0.0028409 k( 333) = ( 0.1938776 -0.0000000 0.1938776), wk = 0.0028409 k( 334) = ( 0.1836735 -0.0000000 0.1836735), wk = 0.0028409 k( 335) = ( 0.1734694 -0.0000000 0.1734694), wk = 0.0028409 k( 336) = ( 0.1632653 -0.0000000 0.1632653), wk = 0.0028409 k( 337) = ( 0.1530612 0.0000000 0.1530612), wk = 0.0028409 k( 338) = ( 0.1428571 0.0000000 0.1428571), wk = 0.0028409 k( 339) = ( 0.1326531 0.0000000 0.1326531), wk = 0.0028409 k( 340) = ( 0.1224490 -0.0000000 0.1224490), wk = 0.0028409 k( 341) = ( 0.1122449 0.0000000 0.1122449), wk = 0.0028409 k( 342) = ( 0.1020408 -0.0000000 0.1020408), wk = 0.0028409 k( 343) = ( 0.0918367 -0.0000000 0.0918367), wk = 0.0028409 k( 344) = ( 0.0816327 -0.0000000 0.0816327), wk = 0.0028409 k( 345) = ( 0.0714286 0.0000000 0.0714286), wk = 0.0028409 k( 346) = ( 0.0612245 -0.0000000 0.0612245), wk = 0.0028409 k( 347) = ( 0.0510204 -0.0000000 0.0510204), wk = 0.0028409 k( 348) = ( 0.0408163 -0.0000000 0.0408163), wk = 0.0028409 k( 349) = ( 0.0306122 0.0000000 0.0306122), wk = 0.0028409 k( 350) = ( 0.0204082 0.0000000 0.0204082), wk = 0.0028409 k( 351) = ( 0.0102041 0.0000000 0.0102041), wk = 0.0028409 k( 352) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 Dense grid: 54651 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 30549 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 160, 48) NL pseudopotentials 0.11 Mb ( 80, 90) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1141) G-vector shells 0.01 Mb ( 1102) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.47 Mb ( 160, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.13 Mb ( 90, 2, 48) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./OsO4.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.9 secs Computing kpt #: 2 total cpu time spent up to now is 44.4 secs Computing kpt #: 3 total cpu time spent up to now is 46.3 secs Computing kpt #: 4 total cpu time spent up to now is 48.1 secs Computing kpt #: 5 total cpu time spent up to now is 50.2 secs Computing kpt #: 6 total cpu time spent up to now is 52.1 secs Computing kpt #: 7 total cpu time spent up to now is 54.2 secs Computing kpt #: 8 total cpu time spent up to now is 56.3 secs Computing kpt #: 9 total cpu time spent up to now is 58.6 secs Computing kpt #: 10 total cpu time spent up to now is 61.2 secs Computing kpt #: 11 total cpu time spent up to now is 62.7 secs Computing kpt #: 12 total cpu time spent up to now is 64.7 secs Computing kpt #: 13 total cpu time spent up to now is 66.7 secs Computing kpt #: 14 total cpu time spent up to now is 69.0 secs Computing kpt #: 15 total cpu time spent up to now is 71.0 secs Computing kpt #: 16 total cpu time spent up to now is 72.8 secs Computing kpt #: 17 total cpu time spent up to now is 74.7 secs Computing kpt #: 18 total cpu time spent up to now is 76.8 secs Computing kpt #: 19 total cpu time spent up to now is 78.6 secs Computing kpt #: 20 total cpu time spent up to now is 80.5 secs Computing kpt #: 21 total cpu time spent up to now is 82.4 secs Computing kpt #: 22 total cpu time spent up to now is 84.2 secs Computing kpt #: 23 total cpu time spent up to now is 86.2 secs Computing kpt #: 24 total cpu time spent up to now is 88.0 secs Computing kpt #: 25 total cpu time spent up to now is 90.1 secs Computing kpt #: 26 total cpu time spent up to now is 92.3 secs Computing kpt #: 27 total cpu time spent up to now is 94.5 secs Computing kpt #: 28 total cpu time spent up to now is 96.8 secs Computing kpt #: 29 total cpu time spent up to now is 98.7 secs Computing kpt #: 30 total cpu time spent up to now is 100.5 secs Computing kpt #: 31 total cpu time spent up to now is 102.6 secs Computing kpt #: 32 total cpu time spent up to now is 104.7 secs Computing kpt #: 33 total cpu time spent up to now is 107.2 secs Computing kpt #: 34 total cpu time spent up to now is 109.3 secs Computing kpt #: 35 total cpu time spent up to now is 111.4 secs Computing kpt #: 36 total cpu time spent up to now is 113.9 secs Computing kpt #: 37 total cpu time spent up to now is 116.6 secs Computing kpt #: 38 total cpu time spent up to now is 119.1 secs Computing kpt #: 39 total cpu time spent up to now is 120.9 secs Computing kpt #: 40 total cpu time spent up to now is 122.7 secs Computing kpt #: 41 total cpu time spent up to now is 125.1 secs Computing kpt #: 42 total cpu time spent up to now is 126.8 secs Computing kpt #: 43 total cpu time spent up to now is 128.3 secs Computing kpt #: 44 total cpu time spent up to now is 129.8 secs Computing kpt #: 45 total cpu time spent up to now is 132.1 secs Computing kpt #: 46 total cpu time spent up to now is 133.8 secs Computing kpt #: 47 total cpu time spent up to now is 135.3 secs Computing kpt #: 48 total cpu time spent up to now is 137.1 secs Computing kpt #: 49 total cpu time spent up to now is 138.8 secs Computing kpt #: 50 total cpu time spent up to now is 140.4 secs Computing kpt #: 51 total cpu time spent up to now is 142.1 secs Computing kpt #: 52 total cpu time spent up to now is 143.6 secs Computing kpt #: 53 total cpu time spent up to now is 145.4 secs Computing kpt #: 54 total cpu time spent up to now is 147.2 secs Computing kpt #: 55 total cpu time spent up to now is 148.7 secs Computing kpt #: 56 total cpu time spent up to now is 150.2 secs Computing kpt #: 57 total cpu time spent up to now is 151.9 secs Computing kpt #: 58 total cpu time spent up to now is 153.4 secs Computing kpt #: 59 total cpu time spent up to now is 155.0 secs Computing kpt #: 60 total cpu time spent up to now is 156.7 secs Computing kpt #: 61 total cpu time spent up to now is 158.6 secs Computing kpt #: 62 total cpu time spent up to now is 160.0 secs Computing kpt #: 63 total cpu time spent up to now is 161.8 secs Computing kpt #: 64 total cpu time spent up to now is 163.2 secs Computing kpt #: 65 total cpu time spent up to now is 165.1 secs Computing kpt #: 66 total cpu time spent up to now is 167.1 secs Computing kpt #: 67 total cpu time spent up to now is 168.9 secs Computing kpt #: 68 total cpu time spent up to now is 170.7 secs Computing kpt #: 69 total cpu time spent up to now is 172.2 secs Computing kpt #: 70 total cpu time spent up to now is 173.7 secs Computing kpt #: 71 total cpu time spent up to now is 175.2 secs Computing kpt #: 72 total cpu time spent up to now is 176.7 secs Computing kpt #: 73 total cpu time spent up to now is 178.7 secs Computing kpt #: 74 total cpu time spent up to now is 180.4 secs Computing kpt #: 75 total cpu time spent up to now is 182.3 secs Computing kpt #: 76 total cpu time spent up to now is 184.0 secs Computing kpt #: 77 total cpu time spent up to now is 185.7 secs Computing kpt #: 78 total cpu time spent up to now is 187.3 secs Computing kpt #: 79 total cpu time spent up to now is 189.0 secs Computing kpt #: 80 total cpu time spent up to now is 190.7 secs Computing kpt #: 81 total cpu time spent up to now is 192.6 secs Computing kpt #: 82 total cpu time spent up to now is 194.4 secs Computing kpt #: 83 total cpu time spent up to now is 196.3 secs Computing kpt #: 84 total cpu time spent up to now is 198.1 secs Computing kpt #: 85 total cpu time spent up to now is 199.8 secs Computing kpt #: 86 total cpu time spent up to now is 201.5 secs Computing kpt #: 87 total cpu time spent up to now is 203.3 secs Computing kpt #: 88 total cpu time spent up to now is 204.8 secs Computing kpt #: 89 total cpu time spent up to now is 206.7 secs Computing kpt #: 90 total cpu time spent up to now is 208.5 secs Computing kpt #: 91 total cpu time spent up to now is 210.1 secs Computing kpt #: 92 total cpu time spent up to now is 211.8 secs Computing kpt #: 93 total cpu time spent up to now is 213.6 secs Computing kpt #: 94 total cpu time spent up to now is 215.6 secs Computing kpt #: 95 total cpu time spent up to now is 217.4 secs Computing kpt #: 96 total cpu time spent up to now is 219.1 secs Computing kpt #: 97 total cpu time spent up to now is 221.1 secs Computing kpt #: 98 total cpu time spent up to now is 223.1 secs Computing kpt #: 99 total cpu time spent up to now is 225.2 secs Computing kpt #: 100 total cpu time spent up to now is 226.9 secs Computing kpt #: 101 total cpu time spent up to now is 228.8 secs Computing kpt #: 102 total cpu time spent up to now is 231.2 secs Computing kpt #: 103 total cpu time spent up to now is 233.2 secs Computing kpt #: 104 total cpu time spent up to now is 234.9 secs Computing kpt #: 105 total cpu time spent up to now is 236.6 secs Computing kpt #: 106 total cpu time spent up to now is 238.4 secs Computing kpt #: 107 total cpu time spent up to now is 240.4 secs Computing kpt #: 108 total cpu time spent up to now is 242.5 secs Computing kpt #: 109 total cpu time spent up to now is 244.3 secs Computing kpt #: 110 total cpu time spent up to now is 246.1 secs Computing kpt #: 111 total cpu time spent up to now is 247.8 secs Computing kpt #: 112 total cpu time spent up to now is 249.6 secs Computing kpt #: 113 total cpu time spent up to now is 251.5 secs Computing kpt #: 114 total cpu time spent up to now is 253.3 secs Computing kpt #: 115 total cpu time spent up to now is 255.4 secs Computing kpt #: 116 total cpu time spent up to now is 257.2 secs Computing kpt #: 117 total cpu time spent up to now is 259.0 secs Computing kpt #: 118 total cpu time spent up to now is 261.2 secs Computing kpt #: 119 total cpu time spent up to now is 263.3 secs Computing kpt #: 120 total cpu time spent up to now is 265.1 secs Computing kpt #: 121 total cpu time spent up to now is 266.9 secs Computing kpt #: 122 total cpu time spent up to now is 268.7 secs Computing kpt #: 123 total cpu time spent up to now is 270.9 secs Computing kpt #: 124 total cpu time spent up to now is 273.0 secs Computing kpt #: 125 total cpu time spent up to now is 274.8 secs Computing kpt #: 126 total cpu time spent up to now is 276.6 secs Computing kpt #: 127 total cpu time spent up to now is 278.8 secs Computing kpt #: 128 total cpu time spent up to now is 280.8 secs Computing kpt #: 129 total cpu time spent up to now is 282.6 secs Computing kpt #: 130 total cpu time spent up to now is 284.4 secs Computing kpt #: 131 total cpu time spent up to now is 286.5 secs Computing kpt #: 132 total cpu time spent up to now is 288.6 secs Computing kpt #: 133 total cpu time spent up to now is 290.4 secs Computing kpt #: 134 total cpu time spent up to now is 292.2 secs Computing kpt #: 135 total cpu time spent up to now is 294.5 secs Computing kpt #: 136 total cpu time spent up to now is 296.2 secs Computing kpt #: 137 total cpu time spent up to now is 298.0 secs Computing kpt #: 138 total cpu time spent up to now is 300.2 secs Computing kpt #: 139 total cpu time spent up to now is 302.0 secs Computing kpt #: 140 total cpu time spent up to now is 304.3 secs Computing kpt #: 141 total cpu time spent up to now is 306.3 secs Computing kpt #: 142 total cpu time spent up to now is 308.6 secs Computing kpt #: 143 total cpu time spent up to now is 310.4 secs Computing kpt #: 144 total cpu time spent up to now is 312.4 secs Computing kpt #: 145 total cpu time spent up to now is 314.3 secs Computing kpt #: 146 total cpu time spent up to now is 316.1 secs Computing kpt #: 147 total cpu time spent up to now is 318.2 secs Computing kpt #: 148 total cpu time spent up to now is 320.1 secs Computing kpt #: 149 total cpu time spent up to now is 322.0 secs Computing kpt #: 150 total cpu time spent up to now is 323.7 secs Computing kpt #: 151 total cpu time spent up to now is 325.5 secs Computing kpt #: 152 total cpu time spent up to now is 328.1 secs Computing kpt #: 153 total cpu time spent up to now is 330.1 secs Computing kpt #: 154 total cpu time spent up to now is 334.1 secs Computing kpt #: 155 total cpu time spent up to now is 336.7 secs Computing kpt #: 156 total cpu time spent up to now is 338.6 secs Computing kpt #: 157 total cpu time spent up to now is 340.3 secs Computing kpt #: 158 total cpu time spent up to now is 342.0 secs Computing kpt #: 159 total cpu time spent up to now is 343.7 secs Computing kpt #: 160 total cpu time spent up to now is 345.5 secs Computing kpt #: 161 total cpu time spent up to now is 347.6 secs Computing kpt #: 162 total cpu time spent up to now is 349.7 secs Computing kpt #: 163 total cpu time spent up to now is 351.4 secs Computing kpt #: 164 total cpu time spent up to now is 353.1 secs Computing kpt #: 165 total cpu time spent up to now is 355.1 secs Computing kpt #: 166 total cpu time spent up to now is 357.1 secs Computing kpt #: 167 total cpu time spent up to now is 359.4 secs Computing kpt #: 168 total cpu time spent up to now is 361.7 secs Computing kpt #: 169 total cpu time spent up to now is 363.5 secs Computing kpt #: 170 total cpu time spent up to now is 365.2 secs Computing kpt #: 171 total cpu time spent up to now is 366.7 secs Computing kpt #: 172 total cpu time spent up to now is 368.2 secs Computing kpt #: 173 total cpu time spent up to now is 370.0 secs Computing kpt #: 174 total cpu time spent up to now is 372.4 secs Computing kpt #: 175 total cpu time spent up to now is 374.3 secs Computing kpt #: 176 total cpu time spent up to now is 376.1 secs Computing kpt #: 177 total cpu time spent up to now is 377.9 secs Computing kpt #: 178 total cpu time spent up to now is 380.2 secs Computing kpt #: 179 total cpu time spent up to now is 381.9 secs Computing kpt #: 180 total cpu time spent up to now is 383.9 secs Computing kpt #: 181 total cpu time spent up to now is 385.5 secs Computing kpt #: 182 total cpu time spent up to now is 387.1 secs Computing kpt #: 183 total cpu time spent up to now is 388.6 secs Computing kpt #: 184 total cpu time spent up to now is 390.3 secs Computing kpt #: 185 total cpu time spent up to now is 391.8 secs Computing kpt #: 186 total cpu time spent up to now is 393.4 secs Computing kpt #: 187 total cpu time spent up to now is 395.7 secs Computing kpt #: 188 total cpu time spent up to now is 397.5 secs Computing kpt #: 189 total cpu time spent up to now is 399.4 secs Computing kpt #: 190 total cpu time spent up to now is 400.9 secs Computing kpt #: 191 total cpu time spent up to now is 402.6 secs Computing kpt #: 192 total cpu time spent up to now is 404.6 secs Computing kpt #: 193 total cpu time spent up to now is 406.4 secs Computing kpt #: 194 total cpu time spent up to now is 408.2 secs Computing kpt #: 195 total cpu time spent up to now is 409.9 secs Computing kpt #: 196 total cpu time spent up to now is 411.3 secs Computing kpt #: 197 total cpu time spent up to now is 413.4 secs Computing kpt #: 198 total cpu time spent up to now is 415.1 secs Computing kpt #: 199 total cpu time spent up to now is 416.8 secs Computing kpt #: 200 total cpu time spent up to now is 418.3 secs Computing kpt #: 201 total cpu time spent up to now is 419.8 secs Computing kpt #: 202 total cpu time spent up to now is 421.3 secs Computing kpt #: 203 total cpu time spent up to now is 423.4 secs Computing kpt #: 204 total cpu time spent up to now is 425.8 secs Computing kpt #: 205 total cpu time spent up to now is 427.8 secs Computing kpt #: 206 total cpu time spent up to now is 429.4 secs Computing kpt #: 207 total cpu time spent up to now is 430.8 secs Computing kpt #: 208 total cpu time spent up to now is 432.5 secs Computing kpt #: 209 total cpu time spent up to now is 434.4 secs Computing kpt #: 210 total cpu time spent up to now is 436.6 secs Computing kpt #: 211 total cpu time spent up to now is 438.4 secs Computing kpt #: 212 total cpu time spent up to now is 440.2 secs Computing kpt #: 213 total cpu time spent up to now is 441.7 secs Computing kpt #: 214 total cpu time spent up to now is 443.4 secs Computing kpt #: 215 total cpu time spent up to now is 445.0 secs Computing kpt #: 216 total cpu time spent up to now is 446.9 secs Computing kpt #: 217 total cpu time spent up to now is 448.6 secs Computing kpt #: 218 total cpu time spent up to now is 450.3 secs Computing kpt #: 219 total cpu time spent up to now is 452.1 secs Computing kpt #: 220 total cpu time spent up to now is 454.0 secs Computing kpt #: 221 total cpu time spent up to now is 455.6 secs Computing kpt #: 222 total cpu time spent up to now is 457.3 secs Computing kpt #: 223 total cpu time spent up to now is 460.1 secs Computing kpt #: 224 total cpu time spent up to now is 461.9 secs Computing kpt #: 225 total cpu time spent up to now is 463.7 secs Computing kpt #: 226 total cpu time spent up to now is 465.2 secs Computing kpt #: 227 total cpu time spent up to now is 466.7 secs Computing kpt #: 228 total cpu time spent up to now is 469.2 secs Computing kpt #: 229 total cpu time spent up to now is 471.4 secs Computing kpt #: 230 total cpu time spent up to now is 473.2 secs Computing kpt #: 231 total cpu time spent up to now is 475.1 secs Computing kpt #: 232 total cpu time spent up to now is 476.9 secs Computing kpt #: 233 total cpu time spent up to now is 478.4 secs Computing kpt #: 234 total cpu time spent up to now is 480.0 secs Computing kpt #: 235 total cpu time spent up to now is 483.7 secs Computing kpt #: 236 total cpu time spent up to now is 485.4 secs Computing kpt #: 237 total cpu time spent up to now is 486.9 secs Computing kpt #: 238 total cpu time spent up to now is 488.4 secs Computing kpt #: 239 total cpu time spent up to now is 489.8 secs Computing kpt #: 240 total cpu time spent up to now is 491.4 secs Computing kpt #: 241 total cpu time spent up to now is 493.9 secs Computing kpt #: 242 total cpu time spent up to now is 496.3 secs Computing kpt #: 243 total cpu time spent up to now is 498.1 secs Computing kpt #: 244 total cpu time spent up to now is 500.1 secs Computing kpt #: 245 total cpu time spent up to now is 501.9 secs Computing kpt #: 246 total cpu time spent up to now is 503.7 secs Computing kpt #: 247 total cpu time spent up to now is 505.2 secs Computing kpt #: 248 total cpu time spent up to now is 507.1 secs Computing kpt #: 249 total cpu time spent up to now is 508.7 secs Computing kpt #: 250 total cpu time spent up to now is 510.8 secs Computing kpt #: 251 total cpu time spent up to now is 512.6 secs Computing kpt #: 252 total cpu time spent up to now is 514.1 secs Computing kpt #: 253 total cpu time spent up to now is 515.8 secs Computing kpt #: 254 total cpu time spent up to now is 517.3 secs Computing kpt #: 255 total cpu time spent up to now is 519.3 secs Computing kpt #: 256 total cpu time spent up to now is 520.8 secs Computing kpt #: 257 total cpu time spent up to now is 522.3 secs Computing kpt #: 258 total cpu time spent up to now is 524.3 secs Computing kpt #: 259 total cpu time spent up to now is 526.5 secs Computing kpt #: 260 total cpu time spent up to now is 528.4 secs Computing kpt #: 261 total cpu time spent up to now is 530.1 secs Computing kpt #: 262 total cpu time spent up to now is 531.6 secs Computing kpt #: 263 total cpu time spent up to now is 533.4 secs Computing kpt #: 264 total cpu time spent up to now is 535.2 secs Computing kpt #: 265 total cpu time spent up to now is 537.0 secs Computing kpt #: 266 total cpu time spent up to now is 538.5 secs Computing kpt #: 267 total cpu time spent up to now is 540.4 secs Computing kpt #: 268 total cpu time spent up to now is 542.0 secs Computing kpt #: 269 total cpu time spent up to now is 543.6 secs Computing kpt #: 270 total cpu time spent up to now is 545.9 secs Computing kpt #: 271 total cpu time spent up to now is 547.4 secs Computing kpt #: 272 total cpu time spent up to now is 549.2 secs Computing kpt #: 273 total cpu time spent up to now is 551.2 secs Computing kpt #: 274 total cpu time spent up to now is 553.1 secs Computing kpt #: 275 total cpu time spent up to now is 554.9 secs Computing kpt #: 276 total cpu time spent up to now is 556.8 secs Computing kpt #: 277 total cpu time spent up to now is 559.8 secs Computing kpt #: 278 total cpu time spent up to now is 562.8 secs Computing kpt #: 279 total cpu time spent up to now is 565.6 secs Computing kpt #: 280 total cpu time spent up to now is 567.8 secs Computing kpt #: 281 total cpu time spent up to now is 570.1 secs Computing kpt #: 282 total cpu time spent up to now is 571.8 secs Computing kpt #: 283 total cpu time spent up to now is 573.7 secs Computing kpt #: 284 total cpu time spent up to now is 575.6 secs Computing kpt #: 285 total cpu time spent up to now is 577.5 secs Computing kpt #: 286 total cpu time spent up to now is 579.9 secs Computing kpt #: 287 total cpu time spent up to now is 582.2 secs Computing kpt #: 288 total cpu time spent up to now is 583.9 secs Computing kpt #: 289 total cpu time spent up to now is 585.7 secs Computing kpt #: 290 total cpu time spent up to now is 587.4 secs Computing kpt #: 291 total cpu time spent up to now is 589.2 secs Computing kpt #: 292 total cpu time spent up to now is 591.0 secs Computing kpt #: 293 total cpu time spent up to now is 592.9 secs Computing kpt #: 294 total cpu time spent up to now is 594.7 secs Computing kpt #: 295 total cpu time spent up to now is 596.6 secs Computing kpt #: 296 total cpu time spent up to now is 598.3 secs Computing kpt #: 297 total cpu time spent up to now is 600.0 secs Computing kpt #: 298 total cpu time spent up to now is 601.7 secs Computing kpt #: 299 total cpu time spent up to now is 603.7 secs Computing kpt #: 300 total cpu time spent up to now is 605.8 secs Computing kpt #: 301 total cpu time spent up to now is 607.5 secs Computing kpt #: 302 total cpu time spent up to now is 609.2 secs Computing kpt #: 303 total cpu time spent up to now is 611.0 secs Computing kpt #: 304 total cpu time spent up to now is 613.0 secs Computing kpt #: 305 total cpu time spent up to now is 614.8 secs Computing kpt #: 306 total cpu time spent up to now is 616.6 secs Computing kpt #: 307 total cpu time spent up to now is 618.4 secs Computing kpt #: 308 total cpu time spent up to now is 620.8 secs Computing kpt #: 309 total cpu time spent up to now is 623.1 secs Computing kpt #: 310 total cpu time spent up to now is 624.6 secs Computing kpt #: 311 total cpu time spent up to now is 626.5 secs Computing kpt #: 312 total cpu time spent up to now is 629.0 secs Computing kpt #: 313 total cpu time spent up to now is 630.7 secs Computing kpt #: 314 total cpu time spent up to now is 632.5 secs Computing kpt #: 315 total cpu time spent up to now is 634.3 secs Computing kpt #: 316 total cpu time spent up to now is 636.3 secs Computing kpt #: 317 total cpu time spent up to now is 638.1 secs Computing kpt #: 318 total cpu time spent up to now is 640.2 secs Computing kpt #: 319 total cpu time spent up to now is 642.4 secs Computing kpt #: 320 total cpu time spent up to now is 644.0 secs Computing kpt #: 321 total cpu time spent up to now is 645.7 secs Computing kpt #: 322 total cpu time spent up to now is 647.2 secs Computing kpt #: 323 total cpu time spent up to now is 649.2 secs Computing kpt #: 324 total cpu time spent up to now is 651.0 secs Computing kpt #: 325 total cpu time spent up to now is 652.7 secs Computing kpt #: 326 total cpu time spent up to now is 654.9 secs Computing kpt #: 327 total cpu time spent up to now is 657.7 secs Computing kpt #: 328 total cpu time spent up to now is 659.5 secs Computing kpt #: 329 total cpu time spent up to now is 661.2 secs Computing kpt #: 330 total cpu time spent up to now is 663.0 secs Computing kpt #: 331 total cpu time spent up to now is 664.7 secs Computing kpt #: 332 total cpu time spent up to now is 666.4 secs Computing kpt #: 333 total cpu time spent up to now is 668.3 secs Computing kpt #: 334 total cpu time spent up to now is 669.9 secs Computing kpt #: 335 total cpu time spent up to now is 671.6 secs Computing kpt #: 336 total cpu time spent up to now is 673.4 secs Computing kpt #: 337 total cpu time spent up to now is 675.2 secs Computing kpt #: 338 total cpu time spent up to now is 677.3 secs Computing kpt #: 339 total cpu time spent up to now is 678.9 secs Computing kpt #: 340 total cpu time spent up to now is 680.7 secs Computing kpt #: 341 total cpu time spent up to now is 682.5 secs Computing kpt #: 342 total cpu time spent up to now is 684.4 secs Computing kpt #: 343 total cpu time spent up to now is 685.9 secs Computing kpt #: 344 total cpu time spent up to now is 687.4 secs Computing kpt #: 345 total cpu time spent up to now is 688.9 secs Computing kpt #: 346 total cpu time spent up to now is 690.8 secs Computing kpt #: 347 total cpu time spent up to now is 692.7 secs Computing kpt #: 348 total cpu time spent up to now is 694.5 secs Computing kpt #: 349 total cpu time spent up to now is 696.3 secs Computing kpt #: 350 total cpu time spent up to now is 698.3 secs Computing kpt #: 351 total cpu time spent up to now is 700.6 secs Computing kpt #: 352 total cpu time spent up to now is 703.0 secs ethr = 2.50E-11, avg # of iterations = 34.8 total cpu time spent up to now is 703.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3817 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8233 -15.8233 -15.2369 -15.2369 -14.7597 -14.7597 -14.6960 -14.6960 -3.8043 -3.8043 -3.6792 -3.6792 -2.8465 -2.8465 -2.7284 -2.7284 -2.5481 -2.5481 -0.7202 -0.7202 0.2896 0.2896 0.7744 0.7744 0.8899 0.8899 0.9881 0.9881 1.1863 1.1863 1.2262 1.2262 6.1436 6.1436 6.4797 6.4797 8.4188 8.4188 8.6018 8.6018 k = 0.0119 0.0062-0.0071 ( 3818 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8234 -15.8226 -15.2372 -15.2366 -14.7606 -14.7589 -14.6961 -14.6958 -3.8072 -3.8023 -3.6819 -3.6771 -2.8502 -2.8441 -2.7335 -2.7251 -2.5511 -2.5473 -0.7207 -0.7199 0.2883 0.2932 0.7739 0.7768 0.8869 0.8951 0.9871 0.9904 1.1861 1.1872 1.2263 1.2265 6.1432 6.1433 6.4787 6.4789 8.4172 8.4186 8.5945 8.6072 k = 0.0238 0.0124-0.0142 ( 3812 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8230 -15.8213 -15.2376 -15.2365 -14.7615 -14.7582 -14.6963 -14.6957 -3.8108 -3.8012 -3.6851 -3.6755 -2.8552 -2.8431 -2.7405 -2.7234 -2.5563 -2.5488 -0.7215 -0.7199 0.2893 0.2993 0.7754 0.7810 0.8860 0.9023 0.9875 0.9941 1.1863 1.1886 1.2270 1.2275 6.1422 6.1423 6.4760 6.4764 8.4140 8.4166 8.5861 8.6102 k = 0.0357 0.0186-0.0213 ( 3810 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8220 -15.8195 -15.2380 -15.2364 -14.7626 -14.7577 -14.6965 -14.6956 -3.8152 -3.8009 -3.6888 -3.6745 -2.8616 -2.8434 -2.7493 -2.7235 -2.5636 -2.5527 -0.7225 -0.7202 0.2925 0.3076 0.7787 0.7870 0.8874 0.9116 0.9893 0.9990 1.1871 1.1906 1.2282 1.2290 6.1404 6.1406 6.4717 6.4722 8.4095 8.4128 8.5775 8.6106 k = 0.0476 0.0249-0.0284 ( 3806 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1129 -42.0684 -42.0684 -15.8204 -15.8171 -15.2386 -15.2364 -14.7638 -14.7572 -14.6968 -14.6956 -3.8204 -3.8016 -3.6930 -3.6741 -2.8694 -2.8451 -2.7602 -2.7251 -2.5728 -2.5588 -0.7236 -0.7206 0.2979 0.3181 0.7839 0.7948 0.8908 0.9228 0.9925 1.0051 1.1884 1.1931 1.2300 1.2310 6.1380 6.1382 6.4656 6.4663 8.4037 8.4077 8.5699 8.6087 k = 0.0595 0.0311-0.0356 ( 3806 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1129 -42.0684 -42.0684 -15.8182 -15.8141 -15.2392 -15.2365 -14.7651 -14.7569 -14.6970 -14.6956 -3.8264 -3.8031 -3.6975 -3.6743 -2.8786 -2.8480 -2.7731 -2.7283 -2.5837 -2.5671 -0.7248 -0.7212 0.3053 0.3306 0.7909 0.8043 0.8963 0.9357 0.9973 1.0123 1.1903 1.1962 1.2323 1.2336 6.1348 6.1352 6.4579 6.4588 8.3970 8.4019 8.5637 8.6054 k = 0.0714 0.0373-0.0427 ( 3803 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1129 -42.0684 -42.0684 -15.8155 -15.8106 -15.2399 -15.2368 -14.7664 -14.7568 -14.6973 -14.6957 -3.8330 -3.8056 -3.7024 -3.6751 -2.8891 -2.8522 -2.7880 -2.7329 -2.5963 -2.5774 -0.7259 -0.7218 0.3145 0.3451 0.7996 0.8155 0.9038 0.9502 1.0036 1.0207 1.1927 1.1998 1.2350 1.2367 6.1310 6.1314 6.4485 6.4496 8.3899 8.3962 8.5594 8.6017 k = 0.0833 0.0435-0.0498 ( 3814 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8122 -15.8065 -15.2407 -15.2371 -14.7679 -14.7568 -14.6975 -14.6957 -3.8403 -3.8089 -3.7077 -3.6764 -2.9009 -2.8577 -2.8049 -2.7389 -2.6102 -2.5897 -0.7268 -0.7223 0.3253 0.3612 0.8099 0.8283 0.9132 0.9660 1.0117 1.0300 1.1956 1.2040 1.2383 1.2403 6.1264 6.1269 6.4376 6.4389 8.3829 8.3912 8.5568 8.5985 k = 0.0952 0.0497-0.0569 ( 3810 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8084 -15.8020 -15.2416 -15.2375 -14.7695 -14.7570 -14.6977 -14.6958 -3.8481 -3.8131 -3.7131 -3.6782 -2.9141 -2.8645 -2.8237 -2.7462 -2.6254 -2.6036 -0.7275 -0.7227 0.3376 0.3788 0.8217 0.8426 0.9243 0.9827 1.0217 1.0403 1.1991 1.2087 1.2421 1.2444 6.1211 6.1217 6.4252 6.4266 8.3770 8.3874 8.5559 8.5963 k = 0.1071 0.0559-0.0640 ( 3816 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8041 -15.7969 -15.2426 -15.2380 -14.7712 -14.7574 -14.6978 -14.6959 -3.8566 -3.8181 -3.7188 -3.6806 -2.9286 -2.8729 -2.8441 -2.7547 -2.6417 -2.6189 -0.7278 -0.7228 0.3512 0.3977 0.8348 0.8584 0.9370 0.9997 1.0339 1.0515 1.2030 1.2139 1.2463 1.2491 6.1151 6.1159 6.4112 6.4129 8.3726 8.3852 8.5562 8.5954 k = 0.1190 0.0621-0.0711 ( 3818 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.7992 -15.7913 -15.2437 -15.2387 -14.7729 -14.7579 -14.6979 -14.6960 -3.8655 -3.8240 -3.7247 -3.6834 -2.9445 -2.8841 -2.8646 -2.7644 -2.6590 -2.6353 -0.7277 -0.7226 0.3659 0.4177 0.8491 0.8757 0.9512 1.0166 1.0488 1.0634 1.2075 1.2196 1.2510 1.2542 6.1085 6.1093 6.3959 6.3977 8.3704 8.3850 8.5578 8.5958 k = 0.1310 0.0683-0.0782 ( 3822 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0685 -42.0684 -15.7938 -15.7853 -15.2448 -15.2394 -14.7748 -14.7587 -14.6980 -14.6960 -3.8749 -3.8307 -3.7306 -3.6866 -2.9617 -2.9016 -2.8815 -2.7752 -2.6771 -2.6526 -0.7272 -0.7220 0.3816 0.4385 0.8644 0.8943 0.9667 1.0330 1.0663 1.0760 1.2125 1.2259 1.2561 1.2599 6.1011 6.1021 6.3793 6.3812 8.3706 8.3869 8.5603 8.5977 k = 0.1429 0.0746-0.0853 ( 3826 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1131 -42.1130 -42.0685 -42.0685 -15.7880 -15.7788 -15.2461 -15.2403 -14.7768 -14.7597 -14.6980 -14.6961 -3.8847 -3.8381 -3.7367 -3.6902 -2.9802 -2.9258 -2.8943 -2.7870 -2.6960 -2.6703 -0.7262 -0.7210 0.3981 0.4599 0.8805 0.9142 0.9834 1.0491 1.0860 1.0894 1.2180 1.2326 1.2617 1.2660 6.0932 6.0943 6.3615 6.3635 8.3734 8.3912 8.5638 8.6009 k = 0.1548 0.0808-0.0924 ( 3832 PWs) bands (ev): -85.4567 -85.4567 -54.0005 -54.0005 -42.1131 -42.1130 -42.0685 -42.0685 -15.7816 -15.7719 -15.2475 -15.2414 -14.7789 -14.7609 -14.6979 -14.6961 -3.8949 -3.8462 -3.7427 -3.6942 -3.0002 -2.9532 -2.9061 -2.7999 -2.7154 -2.6883 -0.7246 -0.7195 0.4154 0.4818 0.8973 0.9352 1.0011 1.0653 1.1027 1.1077 1.2241 1.2399 1.2676 1.2726 6.0846 6.0858 6.3425 6.3446 8.3789 8.3978 8.5682 8.6057 k = 0.1667 0.0870-0.0995 ( 3836 PWs) bands (ev): -85.4567 -85.4567 -54.0005 -54.0005 -42.1131 -42.1131 -42.0685 -42.0685 -15.7748 -15.7645 -15.2489 -15.2426 -14.7811 -14.7623 -14.6978 -14.6960 -3.9054 -3.8549 -3.7488 -3.6984 -3.0216 -2.9824 -2.9180 -2.8138 -2.7351 -2.7064 -0.7226 -0.7176 0.4332 0.5040 0.9145 0.9572 1.0197 1.0817 1.1168 1.1298 1.2308 1.2476 1.2740 1.2796 6.0754 6.0767 6.3224 6.3247 8.3871 8.4068 8.5736 8.6120 k = 0.1786 0.0932-0.1067 ( 3834 PWs) bands (ev): -85.4567 -85.4567 -54.0005 -54.0005 -42.1131 -42.1131 -42.0685 -42.0685 -15.7676 -15.7568 -15.2505 -15.2439 -14.7833 -14.7639 -14.6977 -14.6959 -3.9161 -3.8641 -3.7548 -3.7028 -3.0446 -3.0127 -2.9302 -2.8286 -2.7549 -2.7244 -0.7200 -0.7151 0.4514 0.5263 0.9321 0.9801 1.0392 1.0984 1.1312 1.1525 1.2382 1.2558 1.2807 1.2872 6.0658 6.0672 6.3013 6.3038 8.3977 8.4179 8.5800 8.6200 k = 0.1905 0.0994-0.1138 ( 3835 PWs) bands (ev): -85.4567 -85.4567 -54.0005 -54.0005 -42.1131 -42.1131 -42.0686 -42.0685 -15.7600 -15.7487 -15.2522 -15.2454 -14.7857 -14.7656 -14.6976 -14.6956 -3.9269 -3.8738 -3.7607 -3.7074 -3.0694 -3.0435 -2.9427 -2.8443 -2.7745 -2.7423 -0.7170 -0.7122 0.4701 0.5485 0.9498 1.0038 1.0595 1.1154 1.1458 1.1751 1.2464 1.2645 1.2878 1.2952 6.0557 6.0571 6.2794 6.2820 8.4103 8.4310 8.5875 8.6300 k = 0.2024 0.1056-0.1209 ( 3828 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1131 -42.1131 -42.0686 -42.0685 -15.7519 -15.7403 -15.2541 -15.2470 -14.7881 -14.7676 -14.6974 -14.6953 -3.9379 -3.8838 -3.7665 -3.7121 -3.0964 -3.0740 -2.9555 -2.8609 -2.7935 -2.7600 -0.7135 -0.7089 0.4890 0.5705 0.9675 1.0281 1.0807 1.1324 1.1606 1.1971 1.2557 1.2736 1.2952 1.3037 6.0452 6.0467 6.2568 6.2594 8.4244 8.4457 8.5966 8.6420 k = 0.2143 0.1118-0.1280 ( 3830 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1132 -42.1131 -42.0686 -42.0685 -15.7436 -15.7315 -15.2561 -15.2488 -14.7907 -14.7698 -14.6972 -14.6949 -3.9490 -3.8943 -3.7722 -3.7169 -3.1259 -3.1038 -2.9686 -2.8781 -2.8120 -2.7776 -0.7096 -0.7052 0.5080 0.5922 0.9850 1.0528 1.1025 1.1491 1.1755 1.2179 1.2663 1.2833 1.3029 1.3127 6.0343 6.0358 6.2334 6.2362 8.4394 8.4615 8.6074 8.6564 k = 0.2262 0.1181-0.1351 ( 3830 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1132 -42.1131 -42.0686 -42.0685 -15.7348 -15.7225 -15.2582 -15.2508 -14.7933 -14.7721 -14.6969 -14.6945 -3.9600 -3.9049 -3.7777 -3.7217 -3.1575 -3.1328 -2.9818 -2.8959 -2.8296 -2.7949 -0.7053 -0.7012 0.5272 0.6135 1.0023 1.0777 1.1251 1.1652 1.1908 1.2368 1.2786 1.2934 1.3111 1.3224 6.0232 6.0247 6.2096 6.2124 8.4546 8.4779 8.6205 8.6732 k = 0.2381 0.1243-0.1422 ( 3831 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1132 -42.1132 -42.0686 -42.0686 -15.7258 -15.7132 -15.2604 -15.2530 -14.7959 -14.7746 -14.6967 -14.6940 -3.9710 -3.9158 -3.7830 -3.7263 -3.1904 -3.1614 -2.9950 -2.9140 -2.8466 -2.8119 -0.7007 -0.6968 0.5463 0.6341 1.0193 1.1027 1.1482 1.1804 1.2063 1.2533 1.2927 1.3041 1.3197 1.3327 6.0118 6.0134 6.1853 6.1882 8.4694 8.4941 8.6362 8.6927 k = 0.2500 0.1305-0.1493 ( 3835 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1132 -42.1132 -42.0686 -42.0686 -15.7165 -15.7038 -15.2628 -15.2554 -14.7986 -14.7772 -14.6964 -14.6934 -3.9818 -3.9268 -3.7881 -3.7309 -3.2240 -3.1901 -3.0083 -2.9323 -2.8628 -2.8286 -0.6959 -0.6922 0.5654 0.6541 1.0358 1.1273 1.1718 1.1947 1.2220 1.2675 1.3076 1.3154 1.3291 1.3438 6.0003 6.0019 6.1607 6.1637 8.4833 8.5093 8.6546 8.7148 k = 0.2619 0.1367-0.1564 ( 3839 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1132 -42.1132 -42.0686 -42.0686 -15.7070 -15.6941 -15.2654 -15.2579 -14.8013 -14.7800 -14.6960 -14.6928 -3.9925 -3.9379 -3.7928 -3.7353 -3.2578 -3.2190 -3.0214 -2.9504 -2.8782 -2.8450 -0.6909 -0.6874 0.5843 0.6734 1.0520 1.1513 1.1956 1.2083 1.2379 1.2799 1.3215 1.3275 1.3397 1.3562 5.9887 5.9904 6.1360 6.1391 8.4962 8.5230 8.6752 8.7395 k = 0.2738 0.1429-0.1635 ( 3841 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1133 -42.1132 -42.0687 -42.0686 -15.6973 -15.6843 -15.2680 -15.2607 -14.8040 -14.7828 -14.6957 -14.6922 -4.0030 -3.9490 -3.7972 -3.7394 -3.2914 -3.2481 -3.0344 -2.9682 -2.8931 -2.8610 -0.6857 -0.6825 0.6030 0.6918 1.0677 1.1739 1.2185 1.2227 1.2537 1.2914 1.3339 1.3391 1.3523 1.3700 5.9772 5.9788 6.1113 6.1144 8.5081 8.5350 8.6969 8.7666 k = 0.2857 0.1491-0.1706 ( 3841 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1133 -42.1132 -42.0687 -42.0686 -15.6874 -15.6745 -15.2709 -15.2636 -14.8066 -14.7857 -14.6953 -14.6916 -4.0131 -3.9600 -3.8012 -3.7431 -3.3246 -3.2771 -3.0471 -2.9857 -2.9072 -2.8766 -0.6805 -0.6775 0.6213 0.7094 1.0829 1.1941 1.2346 1.2444 1.2693 1.3022 1.3454 1.3496 1.3658 1.3853 5.9657 5.9674 6.0867 6.0899 8.5188 8.5455 8.7184 8.7930 k = 0.2976 0.1553-0.1778 ( 3837 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1133 -42.1132 -42.0687 -42.0687 -15.6775 -15.6646 -15.2738 -15.2668 -14.8092 -14.7887 -14.6948 -14.6909 -4.0229 -3.9709 -3.8048 -3.7465 -3.3573 -3.3060 -3.0595 -3.0026 -2.9207 -2.8916 -0.6752 -0.6724 0.6393 0.7259 1.0976 1.2110 1.2501 1.2677 1.2850 1.3127 1.3562 1.3598 1.3794 1.4016 5.9544 5.9561 6.0624 6.0656 8.5286 8.5545 8.7385 8.8062 k = 0.3095 0.1616-0.1849 ( 3837 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1133 -42.1133 -42.0687 -42.0687 -15.6674 -15.6546 -15.2769 -15.2701 -14.8118 -14.7917 -14.6943 -14.6903 -4.0322 -3.9816 -3.8079 -3.7495 -3.3893 -3.3347 -3.0714 -3.0189 -2.9336 -2.9061 -0.6700 -0.6674 0.6569 0.7415 1.1119 1.2240 1.2670 1.2898 1.3012 1.3231 1.3665 1.3702 1.3930 1.4181 5.9433 5.9450 6.0385 6.0418 8.5375 8.5623 8.7565 8.8149 k = 0.3214 0.1678-0.1920 ( 3839 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1133 -42.1133 -42.0687 -42.0687 -15.6573 -15.6448 -15.2802 -15.2736 -14.8142 -14.7947 -14.6938 -14.6898 -4.0412 -3.9922 -3.8105 -3.7519 -3.4204 -3.3631 -3.0829 -3.0345 -2.9459 -2.9201 -0.6648 -0.6624 0.6739 0.7560 1.1256 1.2340 1.2840 1.3087 1.3195 1.3340 1.3762 1.3808 1.4064 1.4343 5.9324 5.9342 6.0151 6.0185 8.5457 8.5692 8.7725 8.8230 k = 0.3333 0.1740-0.1991 ( 3839 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1133 -42.1133 -42.0687 -42.0687 -15.6473 -15.6350 -15.2835 -15.2772 -14.8166 -14.7977 -14.6933 -14.6892 -4.0496 -4.0024 -3.8125 -3.7538 -3.4506 -3.3910 -3.0938 -3.0494 -2.9575 -2.9334 -0.6598 -0.6575 0.6904 0.7694 1.1388 1.2420 1.2997 1.3240 1.3390 1.3467 1.3855 1.3915 1.4197 1.4498 5.9219 5.9237 5.9925 5.9959 8.5531 8.5753 8.7866 8.8306 k = 0.3452 0.1802-0.2062 ( 3834 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1133 -42.1133 -42.0687 -42.0687 -15.6373 -15.6255 -15.2870 -15.2810 -14.8188 -14.8007 -14.6927 -14.6886 -4.0575 -4.0124 -3.8138 -3.7551 -3.4798 -3.4182 -3.1041 -3.0635 -2.9684 -2.9460 -0.6549 -0.6528 0.7063 0.7817 1.1516 1.2486 1.3135 1.3362 1.3563 1.3634 1.3948 1.4025 1.4328 1.4646 5.9116 5.9137 5.9707 5.9743 8.5600 8.5808 8.7993 8.8378 k = 0.3571 0.1864-0.2133 ( 3832 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1133 -42.1133 -42.0687 -42.0687 -15.6275 -15.6161 -15.2905 -15.2849 -14.8208 -14.8037 -14.6921 -14.6882 -4.0648 -4.0220 -3.8145 -3.7558 -3.5077 -3.4447 -3.1138 -3.0768 -2.9786 -2.9579 -0.6502 -0.6483 0.7214 0.7928 1.1637 1.2541 1.3255 1.3459 1.3724 1.3816 1.4039 1.4140 1.4455 1.4784 5.9016 5.9040 5.9500 5.9537 8.5663 8.5856 8.8107 8.8446 k = 0.3690 0.1926-0.2204 ( 3826 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1134 -42.1133 -42.0687 -42.0687 -15.6180 -15.6071 -15.2940 -15.2889 -14.8227 -14.8066 -14.6915 -14.6877 -4.0714 -4.0313 -3.8145 -3.7557 -3.5345 -3.4703 -3.1227 -3.0892 -2.9880 -2.9691 -0.6457 -0.6440 0.7359 0.8028 1.1753 1.2587 1.3359 1.3539 1.3878 1.3984 1.4132 1.4265 1.4577 1.4912 5.8920 5.8947 5.9306 5.9346 8.5722 8.5900 8.8210 8.8509 k = 0.3810 0.1988-0.2275 ( 3828 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1134 -42.1133 -42.0688 -42.0687 -15.6087 -15.5984 -15.2976 -15.2929 -14.8244 -14.8094 -14.6910 -14.6873 -4.0774 -4.0401 -3.8137 -3.7549 -3.5598 -3.4950 -3.1310 -3.1008 -2.9966 -2.9795 -0.6416 -0.6400 0.7495 0.8116 1.1863 1.2624 1.3450 1.3608 1.4014 1.4124 1.4235 1.4400 1.4695 1.5028 5.8824 5.8857 5.9127 5.9171 8.5776 8.5938 8.8304 8.8567 k = 0.3929 0.2050-0.2346 ( 3822 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1134 -42.1133 -42.0688 -42.0687 -15.5998 -15.5902 -15.3011 -15.2968 -14.8259 -14.8121 -14.6904 -14.6870 -4.0827 -4.0484 -3.8121 -3.7534 -3.5838 -3.5187 -3.1384 -3.1115 -3.0045 -2.9891 -0.6377 -0.6363 0.7624 0.8193 1.1967 1.2654 1.3531 1.3668 1.4127 1.4227 1.4360 1.4540 1.4807 1.5134 5.8727 5.8767 5.8969 5.9017 8.5825 8.5972 8.8389 8.8620 k = 0.4048 0.2113-0.2417 ( 3821 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1134 -42.1134 -42.0688 -42.0688 -15.5913 -15.5825 -15.3045 -15.3008 -14.8272 -14.8146 -14.6899 -14.6867 -4.0873 -4.0562 -3.8096 -3.7511 -3.6063 -3.5413 -3.1450 -3.1213 -3.0115 -2.9979 -0.6341 -0.6329 0.7743 0.8257 1.2065 1.2677 1.3603 1.3721 1.4220 1.4304 1.4494 1.4674 1.4914 1.5228 5.8627 5.8669 5.8839 5.8887 8.5870 8.6002 8.8466 8.8667 k = 0.4167 0.2175-0.2489 ( 3826 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1134 -42.1134 -42.0688 -42.0688 -15.5835 -15.5755 -15.3078 -15.3045 -14.8283 -14.8171 -14.6893 -14.6865 -4.0911 -4.0634 -3.8064 -3.7482 -3.6271 -3.5627 -3.1507 -3.1302 -3.0176 -3.0057 -0.6310 -0.6299 0.7854 0.8309 1.2156 1.2693 1.3665 1.3766 1.4298 1.4368 1.4624 1.4795 1.5017 1.5309 5.8525 5.8562 5.8741 5.8783 8.5911 8.6026 8.8534 8.8708 k = 0.4286 0.2237-0.2560 ( 3819 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1134 -42.1134 -42.0688 -42.0688 -15.5762 -15.5692 -15.3109 -15.3080 -14.8291 -14.8193 -14.6888 -14.6863 -4.0942 -4.0701 -3.8021 -3.7448 -3.6460 -3.5829 -3.1556 -3.1380 -3.0229 -3.0127 -0.6281 -0.6272 0.7955 0.8350 1.2241 1.2701 1.3720 1.3805 1.4363 1.4422 1.4743 1.4898 1.5116 1.5379 5.8424 5.8454 5.8670 5.8702 8.5947 8.6047 8.8596 8.8743 k = 0.4405 0.2299-0.2631 ( 3817 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1134 -42.1134 -42.0688 -42.0688 -15.5698 -15.5638 -15.3136 -15.3113 -14.8297 -14.8214 -14.6884 -14.6862 -4.0965 -4.0761 -3.7970 -3.7413 -3.6626 -3.6018 -3.1595 -3.1450 -3.0272 -3.0188 -0.6257 -0.6250 0.8047 0.8379 1.2318 1.2702 1.3767 1.3837 1.4418 1.4466 1.4847 1.4981 1.5210 1.5435 5.8331 5.8354 5.8615 5.8639 8.5980 8.6063 8.8649 8.8771 k = 0.4524 0.2361-0.2702 ( 3816 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1134 -42.1134 -42.0688 -42.0688 -15.5642 -15.5592 -15.3159 -15.3141 -14.8300 -14.8233 -14.6879 -14.6862 -4.0979 -4.0815 -3.7909 -3.7386 -3.6760 -3.6193 -3.1625 -3.1509 -3.0307 -3.0239 -0.6237 -0.6231 0.8128 0.8396 1.2389 1.2696 1.3806 1.3861 1.4463 1.4502 1.4936 1.5044 1.5295 1.5478 5.8251 5.8268 5.8573 5.8590 8.6008 8.6075 8.8696 8.8792 k = 0.4643 0.2423-0.2773 ( 3808 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1134 -42.1134 -42.0688 -42.0688 -15.5595 -15.5558 -15.3178 -15.3165 -14.8300 -14.8250 -14.6875 -14.6862 -4.0986 -4.0862 -3.7838 -3.7382 -3.6845 -3.6355 -3.1645 -3.1558 -3.0332 -3.0281 -0.6221 -0.6217 0.8200 0.8402 1.2453 1.2683 1.3839 1.3879 1.4499 1.4528 1.5009 1.5090 1.5369 1.5507 5.8188 5.8199 5.8541 5.8553 8.6032 8.6082 8.8734 8.8806 k = 0.4762 0.2485-0.2844 ( 3806 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1134 -42.1134 -42.0688 -42.0688 -15.5559 -15.5534 -15.3192 -15.3183 -14.8298 -14.8264 -14.6872 -14.6862 -4.0985 -4.0901 -3.7759 -3.7420 -3.6865 -3.6501 -3.1655 -3.1598 -3.0347 -3.0314 -0.6209 -0.6206 0.8261 0.8396 1.2509 1.2663 1.3863 1.3890 1.4526 1.4546 1.5064 1.5118 1.5430 1.5522 5.8142 5.8149 5.8519 5.8527 8.6051 8.6085 8.8765 8.8813 k = 0.4881 0.2548-0.2915 ( 3812 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1134 -42.1134 -42.0688 -42.0688 -15.5535 -15.5522 -15.3199 -15.3195 -14.8294 -14.8276 -14.6868 -14.6864 -4.0976 -4.0934 -3.7673 -3.7493 -3.6823 -3.6631 -3.1656 -3.1627 -3.0353 -3.0336 -0.6202 -0.6201 0.8311 0.8379 1.2559 1.2636 1.3881 1.3894 1.4545 1.4554 1.5103 1.5129 1.5476 1.5522 5.8114 5.8118 5.8506 5.8510 8.6066 8.6083 8.8788 8.8812 k = 0.5000 0.2610-0.2986 ( 3814 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1134 -42.1134 -42.0688 -42.0688 -15.5523 -15.5523 -15.3200 -15.3200 -14.8286 -14.8286 -14.6866 -14.6866 -4.0959 -4.0959 -3.7582 -3.7582 -3.6741 -3.6741 -3.1647 -3.1647 -3.0350 -3.0350 -0.6199 -0.6199 0.8350 0.8350 1.2601 1.2601 1.3891 1.3891 1.4554 1.4554 1.5124 1.5124 1.5507 1.5507 5.8106 5.8106 5.8503 5.8503 8.6077 8.6077 8.8804 8.8804 k = 0.5000 0.2610-0.2986 ( 3814 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1134 -42.1134 -42.0688 -42.0688 -15.5523 -15.5523 -15.3200 -15.3200 -14.8286 -14.8286 -14.6866 -14.6866 -4.0959 -4.0959 -3.7582 -3.7582 -3.6741 -3.6741 -3.1647 -3.1647 -3.0350 -3.0350 -0.6199 -0.6199 0.8350 0.8350 1.2601 1.2601 1.3891 1.3891 1.4554 1.4554 1.5124 1.5124 1.5507 1.5507 5.8106 5.8106 5.8503 5.8503 8.6077 8.6077 8.8804 8.8804 k = 0.5063 0.2643-0.2851 ( 3812 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1134 -42.1134 -42.0688 -42.0688 -15.5524 -15.5521 -15.3215 -15.3185 -14.8303 -14.8270 -14.6868 -14.6865 -4.0976 -4.0935 -3.7676 -3.7490 -3.6753 -3.6720 -3.1762 -3.1530 -3.0379 -3.0314 -0.6199 -0.6198 0.8303 0.8385 1.2574 1.2619 1.3886 1.3894 1.4527 1.4569 1.5083 1.5154 1.5460 1.5555 5.8106 5.8121 5.8486 5.8536 8.6033 8.6111 8.8767 8.8836 k = 0.5127 0.2676-0.2717 ( 3815 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1134 -42.1134 -42.0688 -42.0688 -15.5526 -15.5520 -15.3229 -15.3170 -14.8320 -14.8254 -14.6871 -14.6866 -4.0986 -4.0905 -3.7774 -3.7402 -3.6756 -3.6689 -3.1874 -3.1411 -3.0402 -3.0273 -0.6198 -0.6197 0.8242 0.8405 1.2539 1.2630 1.3881 1.3893 1.4491 1.4571 1.5029 1.5173 1.5417 1.5602 5.8122 5.8152 5.8483 5.8583 8.5980 8.6134 8.8727 8.8864 k = 0.5190 0.2709-0.2582 ( 3815 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1134 -42.1134 -42.0688 -42.0688 -15.5527 -15.5518 -15.3242 -15.3154 -14.8337 -14.8239 -14.6875 -14.6867 -4.0989 -4.0867 -3.7873 -3.7317 -3.6751 -3.6648 -3.1982 -3.1292 -3.0419 -3.0226 -0.6196 -0.6194 0.8168 0.8413 1.2495 1.2634 1.3872 1.3889 1.4447 1.4559 1.4965 1.5184 1.5380 1.5644 5.8153 5.8199 5.8494 5.8646 8.5919 8.6148 8.8684 8.8887 k = 0.5253 0.2742-0.2447 ( 3816 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1134 -42.1134 -42.0688 -42.0688 -15.5529 -15.5517 -15.3254 -15.3138 -14.8354 -14.8225 -14.6881 -14.6870 -4.0985 -4.0823 -3.7975 -3.7235 -3.6739 -3.6598 -3.2086 -3.1174 -3.0429 -3.0173 -0.6193 -0.6191 0.8082 0.8407 1.2443 1.2629 1.3851 1.3885 1.4399 1.4531 1.4896 1.5188 1.5348 1.5679 5.8197 5.8260 5.8518 5.8725 8.5849 8.6151 8.8639 8.8905 k = 0.5316 0.2775-0.2312 ( 3816 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1134 -42.1134 -42.0688 -42.0688 -15.5531 -15.5516 -15.3266 -15.3121 -14.8371 -14.8211 -14.6888 -14.6873 -4.0974 -4.0772 -3.8077 -3.7154 -3.6721 -3.6539 -3.2185 -3.1056 -3.0434 -3.0116 -0.6189 -0.6187 0.7983 0.8388 1.2382 1.2618 1.3809 1.3883 1.4350 1.4488 1.4828 1.5188 1.5319 1.5705 5.8254 5.8336 5.8558 5.8820 8.5771 8.6143 8.8594 8.8918 k = 0.5380 0.2808-0.2177 ( 3822 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1134 -42.1134 -42.0688 -42.0688 -15.5533 -15.5515 -15.3277 -15.3105 -14.8389 -14.8198 -14.6897 -14.6877 -4.0958 -4.0715 -3.8179 -3.7074 -3.6698 -3.6471 -3.2279 -3.0940 -3.0431 -3.0054 -0.6185 -0.6182 0.7872 0.8357 1.2313 1.2600 1.3742 1.3882 1.4300 1.4432 1.4766 1.5183 1.5291 1.5720 5.8322 5.8423 5.8614 5.8931 8.5685 8.6125 8.8548 8.8927 k = 0.5443 0.2841-0.2042 ( 3826 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1134 -42.1134 -42.0688 -42.0688 -15.5535 -15.5514 -15.3287 -15.3088 -14.8406 -14.8186 -14.6906 -14.6881 -4.0934 -4.0652 -3.8281 -3.6994 -3.6670 -3.6394 -3.2367 -3.0826 -3.0423 -2.9988 -0.6180 -0.6176 0.7751 0.8313 1.2236 1.2575 1.3647 1.3877 1.4246 1.4373 1.4714 1.5175 1.5264 1.5725 5.8401 5.8517 5.8688 5.9057 8.5593 8.6096 8.8503 8.8931 k = 0.5506 0.2874-0.1908 ( 3825 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1134 -42.1134 -42.0688 -42.0688 -15.5538 -15.5514 -15.3296 -15.3071 -14.8423 -14.8174 -14.6917 -14.6886 -4.0904 -4.0582 -3.8381 -3.6915 -3.6639 -3.6308 -3.2447 -3.0715 -3.0409 -2.9919 -0.6173 -0.6169 0.7619 0.8257 1.2151 1.2543 1.3528 1.3865 1.4185 1.4317 1.4674 1.5163 1.5236 1.5719 5.8488 5.8615 5.8784 5.9199 8.5495 8.6056 8.8460 8.8932 k = 0.5570 0.2907-0.1773 ( 3827 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1134 -42.1134 -42.0688 -42.0688 -15.5542 -15.5514 -15.3304 -15.3054 -14.8439 -14.8163 -14.6929 -14.6891 -4.0867 -4.0507 -3.8478 -3.6838 -3.6602 -3.6215 -3.2522 -3.0608 -3.0387 -2.9847 -0.6167 -0.6162 0.7477 0.8191 1.2058 1.2504 1.3386 1.3833 1.4124 1.4263 1.4648 1.5150 1.5207 1.5702 5.8584 5.8712 5.8904 5.9355 8.5392 8.6007 8.8419 8.8930 k = 0.5633 0.2940-0.1638 ( 3828 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1134 -42.0688 -42.0688 -15.5547 -15.5514 -15.3311 -15.3036 -14.8455 -14.8153 -14.6942 -14.6897 -4.0825 -4.0426 -3.8573 -3.6765 -3.6556 -3.6112 -3.2589 -3.0507 -3.0358 -2.9773 -0.6159 -0.6153 0.7326 0.8113 1.1958 1.2458 1.3226 1.3772 1.4077 1.4207 1.4637 1.5134 1.5177 1.5674 5.8687 5.8812 5.9045 5.9523 8.5284 8.5948 8.8380 8.8924 k = 0.5696 0.2973-0.1503 ( 3825 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1135 -42.1134 -42.0688 -42.0688 -15.5553 -15.5516 -15.3316 -15.3019 -14.8471 -14.8144 -14.6957 -14.6902 -4.0776 -4.0340 -3.8662 -3.6704 -3.6497 -3.6002 -3.2649 -3.0419 -3.0314 -2.9698 -0.6150 -0.6144 0.7167 0.8026 1.1850 1.2405 1.3052 1.3683 1.4039 1.4153 1.4638 1.5117 1.5146 1.5636 5.8797 5.8915 5.9203 5.9703 8.5172 8.5881 8.8344 8.8916 k = 0.5759 0.3006-0.1368 ( 3818 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1135 -42.1134 -42.0688 -42.0688 -15.5559 -15.5519 -15.3321 -15.3002 -14.8485 -14.8135 -14.6972 -14.6907 -4.0722 -4.0250 -3.8746 -3.6656 -3.6420 -3.5883 -3.2702 -3.0352 -3.0248 -2.9622 -0.6141 -0.6134 0.7000 0.7929 1.1736 1.2342 1.2868 1.3574 1.3982 1.4120 1.4649 1.5099 1.5114 1.5587 5.8912 5.9023 5.9374 5.9893 8.5058 8.5807 8.8310 8.8906 k = 0.5823 0.3039-0.1234 ( 3819 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1135 -42.1134 -42.0688 -42.0688 -15.5568 -15.5523 -15.3325 -15.2984 -14.8499 -14.8127 -14.6989 -14.6912 -4.0662 -4.0156 -3.8823 -3.6623 -3.6327 -3.5755 -3.2748 -3.0303 -3.0164 -2.9547 -0.6132 -0.6124 0.6827 0.7824 1.1615 1.2268 1.2680 1.3455 1.3898 1.4109 1.4667 1.5078 1.5082 1.5529 5.9034 5.9138 5.9555 6.0090 8.4941 8.5728 8.8278 8.8892 k = 0.5886 0.3072-0.1099 ( 3822 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1135 -42.1134 -42.0688 -42.0688 -15.5578 -15.5528 -15.3327 -15.2967 -14.8512 -14.8120 -14.7006 -14.6916 -4.0597 -4.0061 -3.8891 -3.6598 -3.6221 -3.5620 -3.2788 -3.0259 -3.0074 -2.9473 -0.6122 -0.6113 0.6649 0.7711 1.1488 1.2173 1.2498 1.3331 1.3796 1.4107 1.4689 1.5044 1.5062 1.5463 5.9160 5.9259 5.9744 6.0295 8.4823 8.5643 8.8246 8.8877 k = 0.5949 0.3105-0.0964 ( 3822 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1135 -42.1134 -42.0688 -42.0688 -15.5589 -15.5535 -15.3328 -15.2950 -14.8524 -14.8114 -14.7024 -14.6920 -4.0528 -3.9965 -3.8948 -3.6580 -3.6106 -3.5475 -3.2822 -3.0217 -2.9984 -2.9400 -0.6112 -0.6102 0.6466 0.7591 1.1356 1.2044 1.2340 1.3204 1.3682 1.4105 1.4713 1.5009 1.5044 1.5391 5.9291 5.9385 5.9940 6.0504 8.4705 8.5556 8.8216 8.8858 k = 0.6013 0.3138-0.0829 ( 3825 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1134 -42.0688 -42.0688 -15.5603 -15.5543 -15.3328 -15.2933 -14.8535 -14.8108 -14.7042 -14.6924 -4.0454 -3.9871 -3.8990 -3.6567 -3.5983 -3.5323 -3.2850 -3.0175 -2.9895 -2.9328 -0.6101 -0.6091 0.6278 0.7466 1.1220 1.1871 1.2214 1.3076 1.3560 1.4099 1.4737 1.4974 1.5027 1.5313 5.9426 5.9517 6.0141 6.0716 8.4588 8.5467 8.8184 8.8837 k = 0.6076 0.3171-0.0694 ( 3823 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1134 -42.0688 -42.0688 -15.5618 -15.5554 -15.3326 -15.2915 -14.8544 -14.8102 -14.7061 -14.6926 -4.0378 -3.9783 -3.9014 -3.6557 -3.5852 -3.5163 -3.2873 -3.0134 -2.9808 -2.9259 -0.6090 -0.6079 0.6088 0.7336 1.1079 1.1667 1.2111 1.2948 1.3432 1.4085 1.4758 1.4940 1.5010 1.5236 5.9564 5.9654 6.0345 6.0929 8.4471 8.5377 8.8151 8.8813 k = 0.6139 0.3204-0.0559 ( 3824 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1134 -42.0688 -42.0688 -15.5636 -15.5567 -15.3324 -15.2898 -14.8553 -14.8096 -14.7081 -14.6928 -4.0300 -3.9705 -3.9013 -3.6549 -3.5716 -3.4996 -3.2892 -3.0094 -2.9721 -2.9192 -0.6079 -0.6068 0.5896 0.7203 1.0936 1.1447 1.2019 1.2822 1.3298 1.4060 1.4769 1.4912 1.4989 1.5165 5.9705 5.9795 6.0552 6.1142 8.4357 8.5288 8.8116 8.8786 k = 0.6202 0.3237-0.0425 ( 3822 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1134 -42.0688 -42.0688 -15.5657 -15.5582 -15.3320 -15.2881 -14.8560 -14.8090 -14.7100 -14.6929 -4.0222 -3.9639 -3.8985 -3.6542 -3.5574 -3.4822 -3.2906 -3.0056 -2.9635 -2.9127 -0.6069 -0.6056 0.5702 0.7066 1.0789 1.1218 1.1929 1.2697 1.3160 1.4022 1.4762 1.4888 1.4963 1.5113 5.9849 5.9939 6.0758 6.1353 8.4246 8.5200 8.8079 8.8756 k = 0.6266 0.3270-0.0290 ( 3826 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1134 -42.0688 -42.0688 -15.5680 -15.5600 -15.3315 -15.2863 -14.8565 -14.8085 -14.7120 -14.6929 -4.0148 -3.9585 -3.8927 -3.6536 -3.5426 -3.4641 -3.2916 -3.0022 -2.9549 -2.9065 -0.6058 -0.6046 0.5507 0.6928 1.0641 1.0985 1.1841 1.2575 1.3020 1.3968 1.4735 1.4846 1.4950 1.5090 5.9995 6.0086 6.0964 6.1560 8.4137 8.5114 8.8037 8.8721 k = 0.6329 0.3303-0.0155 ( 3826 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1134 -42.0688 -42.0688 -15.5706 -15.5621 -15.3309 -15.2846 -14.8569 -14.8079 -14.7140 -14.6929 -4.0080 -3.9535 -3.8843 -3.6530 -3.5275 -3.4455 -3.2922 -2.9992 -2.9462 -2.9004 -0.6049 -0.6036 0.5312 0.6789 1.0491 1.0752 1.1752 1.2456 1.2877 1.3899 1.4694 1.4775 1.4961 1.5086 6.0142 6.0235 6.1169 6.1763 8.4033 8.5032 8.7991 8.8682 k = 0.6329 0.3303-0.0155 ( 3826 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1134 -42.0688 -42.0688 -15.5706 -15.5621 -15.3309 -15.2846 -14.8569 -14.8079 -14.7140 -14.6929 -4.0080 -3.9535 -3.8843 -3.6530 -3.5275 -3.4455 -3.2922 -2.9992 -2.9462 -2.9004 -0.6049 -0.6036 0.5312 0.6789 1.0491 1.0752 1.1752 1.2456 1.2877 1.3899 1.4694 1.4775 1.4961 1.5086 6.0142 6.0235 6.1169 6.1763 8.4033 8.5032 8.7991 8.8682 k = 0.6269 0.3272-0.0019 ( 3820 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1134 -42.0688 -42.0688 -15.5684 -15.5608 -15.3325 -15.2853 -14.8574 -14.8081 -14.7148 -14.6925 -4.0074 -3.9548 -3.8768 -3.6520 -3.5340 -3.4421 -3.2851 -2.9951 -2.9443 -2.8956 -0.6060 -0.6043 0.5220 0.6669 1.0386 1.0685 1.1709 1.2364 1.2796 1.3906 1.4722 1.4772 1.4999 1.5124 6.0202 6.0286 6.1266 6.1854 8.3996 8.4987 8.7934 8.8632 k = 0.6208 0.3240 0.0117 ( 3824 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1134 -42.0688 -42.0688 -15.5666 -15.5599 -15.3339 -15.2860 -14.8576 -14.8082 -14.7156 -14.6922 -4.0070 -3.9559 -3.8684 -3.6508 -3.5407 -3.4397 -3.2760 -2.9902 -2.9420 -2.8904 -0.6075 -0.6051 0.5129 0.6540 1.0276 1.0627 1.1663 1.2263 1.2707 1.3906 1.4741 1.4778 1.5034 1.5160 6.0265 6.0340 6.1365 6.1943 8.3965 8.4945 8.7870 8.8573 k = 0.6148 0.3209 0.0252 ( 3827 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1134 -42.0688 -42.0688 -15.5652 -15.5593 -15.3349 -15.2869 -14.8576 -14.8084 -14.7163 -14.6921 -4.0065 -3.9569 -3.8593 -3.6495 -3.5474 -3.4384 -3.2650 -2.9846 -2.9394 -2.8849 -0.6092 -0.6062 0.5038 0.6403 1.0164 1.0574 1.1614 1.2157 1.2613 1.3897 1.4745 1.4801 1.5066 1.5193 6.0329 6.0397 6.1468 6.2033 8.3939 8.4906 8.7800 8.8508 k = 0.6087 0.3177 0.0388 ( 3820 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1135 -42.1134 -42.0688 -42.0687 -15.5641 -15.5589 -15.3356 -15.2877 -14.8573 -14.8085 -14.7170 -14.6920 -4.0061 -3.9577 -3.8496 -3.6478 -3.5542 -3.4381 -3.2522 -2.9785 -2.9364 -2.8792 -0.6111 -0.6074 0.4947 0.6258 1.0052 1.0524 1.1562 1.2047 1.2514 1.3877 1.4745 1.4831 1.5096 1.5224 6.0393 6.0456 6.1572 6.2121 8.3920 8.4872 8.7723 8.8435 k = 0.6027 0.3146 0.0524 ( 3820 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1135 -42.1134 -42.0688 -42.0687 -15.5632 -15.5588 -15.3361 -15.2887 -14.8569 -14.8087 -14.7175 -14.6920 -4.0056 -3.9585 -3.8393 -3.6460 -3.5610 -3.4390 -3.2379 -2.9722 -2.9330 -2.8733 -0.6132 -0.6088 0.4857 0.6107 0.9943 1.0476 1.1508 1.1935 1.2414 1.3846 1.4748 1.4863 1.5123 1.5253 6.0455 6.0517 6.1678 6.2208 8.3908 8.4842 8.7642 8.8356 k = 0.5967 0.3114 0.0659 ( 3824 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1135 -42.1134 -42.0688 -42.0687 -15.5627 -15.5589 -15.3363 -15.2897 -14.8562 -14.8090 -14.7179 -14.6921 -4.0051 -3.9592 -3.8287 -3.6438 -3.5678 -3.4409 -3.2225 -2.9657 -2.9291 -2.8674 -0.6153 -0.6104 0.4769 0.5950 0.9838 1.0428 1.1452 1.1823 1.2315 1.3802 1.4756 1.4895 1.5148 1.5278 6.0515 6.0578 6.1784 6.2293 8.3904 8.4816 8.7557 8.8270 k = 0.5906 0.3083 0.0795 ( 3828 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1135 -42.1134 -42.0688 -42.0687 -15.5624 -15.5592 -15.3362 -15.2908 -14.8554 -14.8093 -14.7182 -14.6923 -4.0044 -3.9600 -3.8177 -3.6412 -3.5746 -3.4437 -3.2060 -2.9595 -2.9246 -2.8615 -0.6176 -0.6121 0.4682 0.5791 0.9739 1.0379 1.1394 1.1712 1.2220 1.3746 1.4769 1.4927 1.5169 1.5301 6.0572 6.0640 6.1890 6.2377 8.3907 8.4796 8.7469 8.8179 k = 0.5846 0.3051 0.0931 ( 3826 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1135 -42.1135 -42.0688 -42.0687 -15.5624 -15.5596 -15.3359 -15.2920 -14.8543 -14.8097 -14.7183 -14.6926 -4.0037 -3.9607 -3.8065 -3.6382 -3.5812 -3.4473 -3.1889 -2.9538 -2.9194 -2.8556 -0.6198 -0.6138 0.4596 0.5629 0.9647 1.0329 1.1333 1.1603 1.2131 1.3679 1.4786 1.4958 1.5188 1.5320 6.0627 6.0700 6.1996 6.2457 8.3919 8.4782 8.7380 8.8084 k = 0.5785 0.3020 0.1067 ( 3822 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1135 -42.1135 -42.0688 -42.0687 -15.5625 -15.5602 -15.3353 -15.2932 -14.8531 -14.8102 -14.7183 -14.6931 -4.0027 -3.9615 -3.7952 -3.6349 -3.5877 -3.4517 -3.1713 -2.9490 -2.9134 -2.8499 -0.6220 -0.6157 0.4514 0.5467 0.9563 1.0276 1.1270 1.1498 1.2053 1.3603 1.4808 1.4990 1.5205 1.5337 6.0678 6.0758 6.2100 6.2535 8.3938 8.4773 8.7289 8.7984 k = 0.5725 0.2988 0.1202 ( 3822 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1135 -42.1135 -42.0688 -42.0687 -15.5627 -15.5608 -15.3345 -15.2946 -14.8517 -14.8108 -14.7182 -14.6936 -4.0017 -3.9624 -3.7839 -3.6312 -3.5941 -3.4567 -3.1535 -2.9451 -2.9066 -2.8445 -0.6241 -0.6175 0.4434 0.5306 0.9489 1.0220 1.1204 1.1397 1.1988 1.3518 1.4833 1.5020 1.5219 1.5352 6.0727 6.0812 6.2202 6.2609 8.3965 8.4768 8.7198 8.7881 k = 0.5664 0.2957 0.1338 ( 3823 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1135 -42.1135 -42.0688 -42.0687 -15.5631 -15.5616 -15.3336 -15.2960 -14.8501 -14.8116 -14.7179 -14.6942 -4.0005 -3.9634 -3.7727 -3.6272 -3.6002 -3.4623 -3.1357 -2.9423 -2.8992 -2.8394 -0.6262 -0.6194 0.4357 0.5148 0.9424 1.0162 1.1135 1.1300 1.1939 1.3427 1.4860 1.5049 1.5230 1.5363 6.0773 6.0863 6.2301 6.2679 8.4000 8.4768 8.7110 8.7775 k = 0.5604 0.2925 0.1474 ( 3819 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1135 -42.1135 -42.0688 -42.0687 -15.5635 -15.5623 -15.3324 -15.2975 -14.8485 -14.8125 -14.7174 -14.6949 -3.9991 -3.9644 -3.7616 -3.6232 -3.6058 -3.4685 -3.1179 -2.9404 -2.8914 -2.8348 -0.6280 -0.6212 0.4285 0.4995 0.9370 1.0101 1.1064 1.1208 1.1907 1.3331 1.4888 1.5077 1.5240 1.5372 6.0816 6.0908 6.2396 6.2744 8.4043 8.4771 8.7025 8.7668 k = 0.5544 0.2893 0.1610 ( 3818 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1135 -42.1135 -42.0688 -42.0687 -15.5641 -15.5631 -15.3311 -15.2991 -14.8467 -14.8135 -14.7168 -14.6958 -3.9976 -3.9656 -3.7508 -3.6205 -3.6094 -3.4752 -3.1005 -2.9396 -2.8833 -2.8307 -0.6297 -0.6230 0.4218 0.4848 0.9327 1.0036 1.0994 1.1120 1.1892 1.3231 1.4916 1.5103 1.5247 1.5379 6.0856 6.0948 6.2487 6.2803 8.4091 8.4776 8.6944 8.7560 k = 0.5483 0.2862 0.1745 ( 3818 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1135 -42.1135 -42.0688 -42.0687 -15.5646 -15.5638 -15.3297 -15.3007 -14.8448 -14.8147 -14.7160 -14.6967 -3.9961 -3.9669 -3.7403 -3.6227 -3.6077 -3.4822 -3.0836 -2.9397 -2.8753 -2.8271 -0.6312 -0.6248 0.4156 0.4708 0.9295 0.9970 1.0926 1.1037 1.1893 1.3128 1.4945 1.5127 1.5253 1.5383 6.0894 6.0983 6.2573 6.2857 8.4145 8.4781 8.6871 8.7452 k = 0.5423 0.2830 0.1881 ( 3816 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1135 -42.1135 -42.0687 -42.0687 -15.5651 -15.5645 -15.3282 -15.3024 -14.8429 -14.8160 -14.7151 -14.6977 -3.9943 -3.9683 -3.7302 -3.6278 -3.6026 -3.4897 -3.0672 -2.9408 -2.8675 -2.8243 -0.6325 -0.6264 0.4102 0.4577 0.9275 0.9901 1.0863 1.0960 1.1910 1.3023 1.4974 1.5147 1.5259 1.5384 6.0928 6.1012 6.2652 6.2903 8.4204 8.4786 8.6807 8.7345 k = 0.5362 0.2799 0.2017 ( 3811 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1135 -42.1135 -42.0687 -42.0687 -15.5656 -15.5652 -15.3265 -15.3042 -14.8409 -14.8174 -14.7141 -14.6988 -3.9926 -3.9698 -3.7206 -3.6336 -3.5962 -3.4975 -3.0515 -2.9428 -2.8599 -2.8221 -0.6335 -0.6280 0.4056 0.4457 0.9267 0.9831 1.0807 1.0891 1.1939 1.2918 1.5002 1.5163 1.5265 1.5383 6.0959 6.1036 6.2726 6.2943 8.4267 8.4787 8.6754 8.7242 k = 0.5302 0.2767 0.2153 ( 3812 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1135 -42.1135 -42.0687 -42.0687 -15.5661 -15.5658 -15.3248 -15.3060 -14.8388 -14.8190 -14.7130 -14.7000 -3.9907 -3.9715 -3.7113 -3.6396 -3.5892 -3.5056 -3.0367 -2.9458 -2.8528 -2.8207 -0.6343 -0.6295 0.4019 0.4349 0.9270 0.9760 1.0759 1.0829 1.1981 1.2813 1.5029 1.5173 1.5273 1.5381 6.0986 6.1054 6.2792 6.2974 8.4332 8.4783 8.6714 8.7142 k = 0.5242 0.2736 0.2288 ( 3816 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1135 -42.1135 -42.0687 -42.0687 -15.5665 -15.5663 -15.3230 -15.3078 -14.8367 -14.8207 -14.7118 -14.7012 -3.9888 -3.9732 -3.7026 -3.6457 -3.5817 -3.5139 -3.0228 -2.9499 -2.8462 -2.8202 -0.6348 -0.6308 0.3992 0.4253 0.9284 0.9690 1.0720 1.0777 1.2033 1.2709 1.5055 1.5176 1.5284 1.5375 6.1011 6.1067 6.2850 6.2997 8.4398 8.4772 8.6689 8.7047 k = 0.5181 0.2704 0.2424 ( 3816 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1135 -42.1135 -42.0687 -42.0687 -15.5668 -15.5667 -15.3212 -15.3097 -14.8346 -14.8225 -14.7105 -14.7025 -3.9868 -3.9750 -3.6943 -3.6520 -3.5738 -3.5225 -3.0098 -2.9551 -2.8402 -2.8205 -0.6351 -0.6320 0.3977 0.4171 0.9308 0.9621 1.0690 1.0734 1.2094 1.2608 1.5079 1.5173 1.5296 1.5368 6.1032 6.1075 6.2901 6.3011 8.4463 8.4753 8.6680 8.6959 k = 0.5121 0.2673 0.2560 ( 3823 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1135 -42.0687 -42.0687 -15.5671 -15.5670 -15.3193 -15.3116 -14.8325 -14.8243 -14.7092 -14.7038 -3.9848 -3.9769 -3.6865 -3.6584 -3.5656 -3.5311 -2.9979 -2.9614 -2.8350 -2.8217 -0.6351 -0.6330 0.3974 0.4102 0.9342 0.9554 1.0671 1.0700 1.2164 1.2510 1.5101 1.5165 1.5310 1.5360 6.1049 6.1079 6.2941 6.3015 8.4527 8.4724 8.6689 8.6880 k = 0.5060 0.2641 0.2696 ( 3824 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1135 -42.0687 -42.0687 -15.5672 -15.5672 -15.3174 -15.3135 -14.8304 -14.8263 -14.7079 -14.7052 -3.9828 -3.9788 -3.6790 -3.6650 -3.5572 -3.5399 -2.9871 -2.9688 -2.8304 -2.8238 -0.6349 -0.6338 0.3985 0.4049 0.9385 0.9492 1.0662 1.0677 1.2242 1.2415 1.5121 1.5154 1.5324 1.5349 6.1063 6.1078 6.2974 6.3011 8.4586 8.4686 8.6714 8.6811 k = 0.5000 0.2610 0.2831 ( 3826 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1135 -42.0687 -42.0687 -15.5673 -15.5673 -15.3155 -15.3155 -14.8283 -14.8283 -14.7065 -14.7065 -3.9808 -3.9808 -3.6719 -3.6719 -3.5486 -3.5486 -2.9774 -2.9774 -2.8267 -2.8267 -0.6345 -0.6345 0.4009 0.4009 0.9435 0.9435 1.0664 1.0664 1.2326 1.2326 1.5139 1.5139 1.5337 1.5337 6.1072 6.1072 6.2997 6.2997 8.4640 8.4640 8.6755 8.6755 k = 0.5000 0.2610 0.2831 ( 3826 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1135 -42.0687 -42.0687 -15.5673 -15.5673 -15.3155 -15.3155 -14.8283 -14.8283 -14.7065 -14.7065 -3.9808 -3.9808 -3.6719 -3.6719 -3.5486 -3.5486 -2.9774 -2.9774 -2.8267 -2.8267 -0.6345 -0.6345 0.4009 0.4009 0.9435 0.9435 1.0664 1.0664 1.2326 1.2326 1.5139 1.5139 1.5337 1.5337 6.1072 6.1072 6.2997 6.2997 8.4640 8.4640 8.6755 8.6755 k = 0.5072 0.2472 0.2831 ( 3824 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1135 -42.0687 -42.0687 -15.5671 -15.5671 -15.3158 -15.3152 -14.8286 -14.8281 -14.7067 -14.7066 -3.9805 -3.9803 -3.6725 -3.6709 -3.5488 -3.5475 -2.9786 -2.9765 -2.8278 -2.8258 -0.6348 -0.6342 0.3979 0.4014 0.9394 0.9430 1.0684 1.0693 1.2309 1.2325 1.5136 1.5145 1.5328 1.5348 6.1079 6.1081 6.2998 6.3005 8.4643 8.4650 8.6756 8.6761 k = 0.5144 0.2334 0.2831 ( 3824 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1135 -42.1135 -42.0687 -42.0687 -15.5667 -15.5667 -15.3161 -15.3150 -14.8290 -14.8280 -14.7070 -14.7069 -3.9793 -3.9791 -3.6727 -3.6696 -3.5484 -3.5457 -2.9800 -2.9758 -2.8292 -2.8252 -0.6350 -0.6340 0.3924 0.3994 0.9312 0.9381 1.0744 1.0767 1.2274 1.2308 1.5137 1.5154 1.5321 1.5361 6.1102 6.1106 6.3009 6.3021 8.4658 8.4672 8.6761 8.6771 k = 0.5216 0.2197 0.2831 ( 3822 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1135 -42.1135 -42.0687 -42.0687 -15.5660 -15.5660 -15.3164 -15.3148 -14.8295 -14.8279 -14.7075 -14.7074 -3.9773 -3.9770 -3.6725 -3.6680 -3.5471 -3.5432 -2.9816 -2.9753 -2.8310 -2.8250 -0.6354 -0.6338 0.3846 0.3949 0.9200 0.9296 1.0833 1.0879 1.2221 1.2278 1.5142 1.5165 1.5316 1.5375 6.1141 6.1147 6.3027 6.3046 8.4686 8.4706 8.6773 8.6787 k = 0.5288 0.2059 0.2831 ( 3822 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1135 -42.1135 -42.0687 -42.0687 -15.5650 -15.5650 -15.3168 -15.3147 -14.8300 -14.8280 -14.7081 -14.7080 -3.9745 -3.9742 -3.6720 -3.6660 -3.5452 -3.5399 -2.9834 -2.9752 -2.8329 -2.8251 -0.6357 -0.6337 0.3745 0.3881 0.9067 0.9184 1.0937 1.1017 1.2151 1.2238 1.5150 1.5179 1.5314 1.5389 6.1195 6.1203 6.3055 6.3080 8.4726 8.4753 8.6789 8.6808 k = 0.5359 0.1921 0.2831 ( 3820 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1135 -42.1135 -42.0687 -42.0687 -15.5638 -15.5637 -15.3172 -15.3145 -14.8306 -14.8281 -14.7090 -14.7089 -3.9709 -3.9706 -3.6711 -3.6636 -3.5425 -3.5358 -2.9855 -2.9753 -2.8351 -2.8255 -0.6360 -0.6335 0.3626 0.3792 0.8917 0.9052 1.1043 1.1175 1.2064 1.2194 1.5162 1.5194 1.5314 1.5403 6.1263 6.1273 6.3091 6.3123 8.4778 8.4811 8.6811 8.6835 k = 0.5431 0.1783 0.2831 ( 3824 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1135 -42.0687 -42.0687 -15.5623 -15.5622 -15.3176 -15.3144 -14.8314 -14.8283 -14.7100 -14.7099 -3.9664 -3.9662 -3.6698 -3.6609 -3.5391 -3.5310 -2.9878 -2.9758 -2.8375 -2.8262 -0.6364 -0.6334 0.3490 0.3684 0.8756 0.8905 1.1136 1.1344 1.1963 1.2159 1.5176 1.5210 1.5315 1.5415 6.1346 6.1357 6.3135 6.3174 8.4841 8.4879 8.6838 8.6867 k = 0.5503 0.1646 0.2831 ( 3826 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0687 -42.0687 -15.5605 -15.5605 -15.3181 -15.3143 -14.8321 -14.8285 -14.7113 -14.7111 -3.9612 -3.9612 -3.6681 -3.6578 -3.5350 -3.5255 -2.9904 -2.9768 -2.8400 -2.8272 -0.6367 -0.6333 0.3340 0.3561 0.8584 0.8746 1.1196 1.1515 1.1853 1.2150 1.5193 1.5229 1.5316 1.5426 6.1443 6.1453 6.3186 6.3233 8.4915 8.4957 8.6870 8.6905 k = 0.5575 0.1508 0.2831 ( 3826 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0688 -42.0687 -15.5586 -15.5585 -15.3186 -15.3143 -14.8330 -14.8288 -14.7126 -14.7124 -3.9555 -3.9552 -3.6659 -3.6544 -3.5303 -3.5192 -2.9932 -2.9781 -2.8428 -2.8286 -0.6370 -0.6332 0.3179 0.3424 0.8404 0.8577 1.1204 1.1620 1.1802 1.2186 1.5211 1.5248 1.5316 1.5436 6.1551 6.1562 6.3246 6.3301 8.4998 8.5045 8.6908 8.6949 k = 0.5647 0.1370 0.2831 ( 3822 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0688 -42.0687 -15.5564 -15.5563 -15.3191 -15.3142 -14.8339 -14.8292 -14.7141 -14.7139 -3.9491 -3.9484 -3.6634 -3.6507 -3.5248 -3.5122 -2.9964 -2.9799 -2.8457 -2.8303 -0.6373 -0.6331 0.3009 0.3278 0.8217 0.8399 1.1153 1.1521 1.1946 1.2270 1.5229 1.5268 1.5315 1.5444 6.1671 6.1681 6.3312 6.3376 8.5091 8.5139 8.6951 8.6999 k = 0.5719 0.1233 0.2831 ( 3826 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0688 -42.0687 -15.5541 -15.5540 -15.3197 -15.3142 -14.8349 -14.8296 -14.7158 -14.7156 -3.9421 -3.9409 -3.6604 -3.6467 -3.5187 -3.5045 -2.9999 -2.9822 -2.8487 -2.8323 -0.6376 -0.6331 0.2833 0.3123 0.8023 0.8215 1.1050 1.1365 1.2135 1.2395 1.5246 1.5289 1.5312 1.5450 6.1801 6.1808 6.3386 6.3459 8.5192 8.5241 8.7000 8.7055 k = 0.5791 0.1095 0.2831 ( 3822 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0688 -42.0688 -15.5515 -15.5514 -15.3203 -15.3142 -14.8359 -14.8301 -14.7175 -14.7173 -3.9346 -3.9326 -3.6569 -3.6423 -3.5119 -3.4960 -3.0037 -2.9851 -2.8518 -2.8346 -0.6378 -0.6330 0.2654 0.2964 0.7825 0.8025 1.0911 1.1191 1.2331 1.2545 1.5259 1.5300 1.5317 1.5457 6.1939 6.1944 6.3467 6.3550 8.5299 8.5347 8.7054 8.7116 k = 0.5863 0.0957 0.2831 ( 3820 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0688 -42.0688 -15.5489 -15.5488 -15.3209 -15.3142 -14.8370 -14.8306 -14.7194 -14.7192 -3.9265 -3.9235 -3.6530 -3.6378 -3.5044 -3.4869 -3.0078 -2.9885 -2.8550 -2.8373 -0.6381 -0.6329 0.2473 0.2801 0.7624 0.7830 1.0744 1.1004 1.2529 1.2711 1.5269 1.5292 1.5339 1.5465 6.2085 6.2085 6.3554 6.3648 8.5412 8.5458 8.7114 8.7185 k = 0.5934 0.0819 0.2831 ( 3820 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0688 -42.0688 -15.5461 -15.5460 -15.3215 -15.3142 -14.8381 -14.8311 -14.7214 -14.7212 -3.9179 -3.9138 -3.6487 -3.6329 -3.4963 -3.4772 -3.0124 -2.9925 -2.8584 -2.8404 -0.6382 -0.6328 0.2292 0.2638 0.7420 0.7633 1.0557 1.0805 1.2726 1.2885 1.5271 1.5278 1.5362 1.5475 6.2231 6.2236 6.3647 6.3753 8.5529 8.5570 8.7180 8.7259 k = 0.6006 0.0682 0.2831 ( 3816 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1137 -42.1136 -42.0688 -42.0688 -15.5433 -15.5431 -15.3221 -15.3142 -14.8392 -14.8317 -14.7234 -14.7233 -3.9088 -3.9034 -3.6439 -3.6279 -3.4875 -3.4667 -3.0173 -2.9971 -2.8619 -2.8438 -0.6383 -0.6327 0.2113 0.2476 0.7215 0.7435 1.0354 1.0595 1.2921 1.3062 1.5260 1.5266 1.5387 1.5488 6.2380 6.2391 6.3746 6.3864 8.5650 8.5683 8.7252 8.7341 k = 0.6078 0.0544 0.2831 ( 3820 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1137 -42.1137 -42.0688 -42.0688 -15.5404 -15.5402 -15.3228 -15.3142 -14.8404 -14.8322 -14.7255 -14.7255 -3.8994 -3.8923 -3.6387 -3.6228 -3.4781 -3.4556 -3.0226 -3.0023 -2.8656 -2.8476 -0.6384 -0.6326 0.1938 0.2316 0.7012 0.7237 1.0137 1.0376 1.3113 1.3241 1.5238 1.5253 1.5410 1.5504 6.2530 6.2548 6.3851 6.3982 8.5771 8.5794 8.7329 8.7428 k = 0.6150 0.0406 0.2831 ( 3826 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1137 -42.1137 -42.0688 -42.0688 -15.5374 -15.5373 -15.3235 -15.3142 -14.8415 -14.8328 -14.7277 -14.7277 -3.8897 -3.8806 -3.6330 -3.6175 -3.4680 -3.4439 -3.0282 -3.0081 -2.8695 -2.8518 -0.6384 -0.6325 0.1767 0.2160 0.6810 0.7041 0.9908 1.0148 1.3300 1.3417 1.5213 1.5234 1.5434 1.5522 6.2679 6.2705 6.3962 6.4105 8.5892 8.5902 8.7412 8.7523 k = 0.6222 0.0269 0.2831 ( 3824 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1137 -42.1137 -42.0688 -42.0688 -15.5346 -15.5344 -15.3242 -15.3142 -14.8427 -14.8334 -14.7300 -14.7299 -3.8796 -3.8683 -3.6269 -3.6122 -3.4572 -3.4315 -3.0342 -3.0144 -2.8736 -2.8564 -0.6383 -0.6323 0.1603 0.2010 0.6612 0.6848 0.9670 0.9913 1.3483 1.3591 1.5184 1.5209 1.5456 1.5541 6.2827 6.2862 6.4078 6.4234 8.6007 8.6012 8.7500 8.7623 k = 0.6294 0.0131 0.2831 ( 3824 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1137 -42.1137 -42.0688 -42.0688 -15.5317 -15.5315 -15.3248 -15.3142 -14.8438 -14.8339 -14.7323 -14.7320 -3.8693 -3.8554 -3.6204 -3.6069 -3.4458 -3.4185 -3.0406 -3.0212 -2.8780 -2.8615 -0.6382 -0.6321 0.1446 0.1866 0.6420 0.6659 0.9424 0.9671 1.3659 1.3761 1.5153 1.5179 1.5477 1.5559 6.2972 6.3015 6.4199 6.4366 8.6106 8.6129 8.7593 8.7728 k = 0.6366-0.0007 0.2831 ( 3824 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1138 -42.1138 -42.0688 -42.0688 -15.5290 -15.5288 -15.3255 -15.3142 -14.8448 -14.8344 -14.7346 -14.7342 -3.8588 -3.8420 -3.6135 -3.6017 -3.4337 -3.4049 -3.0472 -3.0284 -2.8826 -2.8670 -0.6380 -0.6319 0.1298 0.1730 0.6234 0.6477 0.9171 0.9423 1.3829 1.3924 1.5119 1.5145 1.5496 1.5577 6.3112 6.3163 6.4325 6.4503 8.6198 8.6243 8.7691 8.7838 k = 0.6438-0.0144 0.2831 ( 3822 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1138 -42.1138 -42.0688 -42.0688 -15.5264 -15.5262 -15.3261 -15.3141 -14.8459 -14.8349 -14.7369 -14.7364 -3.8481 -3.8280 -3.6064 -3.5965 -3.4211 -3.3908 -3.0540 -3.0360 -2.8876 -2.8729 -0.6378 -0.6316 0.1158 0.1601 0.6057 0.6302 0.8914 0.9171 1.3991 1.4081 1.5083 1.5109 1.5513 1.5593 6.3247 6.3306 6.4456 6.4641 8.6283 8.6351 8.7793 8.7952 k = 0.6509-0.0282 0.2831 ( 3824 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1138 -42.1138 -42.0688 -42.0688 -15.5240 -15.5238 -15.3266 -15.3140 -14.8468 -14.8353 -14.7391 -14.7385 -3.8374 -3.8136 -3.5989 -3.5915 -3.4079 -3.3760 -3.0611 -3.0439 -2.8931 -2.8794 -0.6375 -0.6314 0.1027 0.1481 0.5889 0.6137 0.8652 0.8916 1.4145 1.4230 1.5046 1.5071 1.5526 1.5607 6.3377 6.3442 6.4590 6.4781 8.6360 8.6454 8.7897 8.8067 k = 0.6581-0.0420 0.2831 ( 3826 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1138 -42.1138 -42.0688 -42.0688 -15.5218 -15.5216 -15.3271 -15.3138 -14.8477 -14.8356 -14.7414 -14.7406 -3.8267 -3.7987 -3.5913 -3.5867 -3.3942 -3.3607 -3.0682 -3.0519 -2.8989 -2.8864 -0.6371 -0.6311 0.0907 0.1370 0.5732 0.5981 0.8388 0.8658 1.4290 1.4370 1.5011 1.5031 1.5537 1.5618 6.3500 6.3570 6.4726 6.4921 8.6429 8.6551 8.8002 8.8183 k = 0.6653-0.0558 0.2831 ( 3824 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1138 -42.1138 -42.0688 -42.0688 -15.5199 -15.5197 -15.3275 -15.3135 -14.8486 -14.8359 -14.7435 -14.7426 -3.8159 -3.7834 -3.5836 -3.5822 -3.3800 -3.3450 -3.0754 -3.0600 -2.9052 -2.8938 -0.6367 -0.6307 0.0796 0.1268 0.5588 0.5837 0.8123 0.8399 1.4424 1.4498 1.4977 1.4992 1.5544 1.5626 6.3617 6.3690 6.4864 6.5059 8.6490 8.6642 8.8106 8.8297 k = 0.6725-0.0695 0.2831 ( 3822 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1138 -42.1138 -42.0688 -42.0688 -15.5183 -15.5181 -15.3279 -15.3131 -14.8493 -14.8360 -14.7456 -14.7445 -3.8052 -3.7678 -3.5780 -3.5759 -3.3655 -3.3287 -3.0824 -3.0681 -2.9120 -2.9018 -0.6362 -0.6304 0.0696 0.1175 0.5457 0.5706 0.7858 0.8140 1.4547 1.4610 1.4952 1.4956 1.5547 1.5630 6.3728 6.3801 6.5002 6.5195 8.6542 8.6726 8.8208 8.8409 k = 0.6797-0.0833 0.2831 ( 3820 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1138 -42.1138 -42.0688 -42.0688 -15.5171 -15.5169 -15.3281 -15.3126 -14.8498 -14.8361 -14.7477 -14.7464 -3.7946 -3.7519 -3.5741 -3.5683 -3.3509 -3.3120 -3.0892 -3.0758 -2.9192 -2.9102 -0.6357 -0.6300 0.0606 0.1090 0.5341 0.5589 0.7596 0.7882 1.4652 1.4694 1.4927 1.4946 1.5545 1.5632 6.3831 6.3904 6.5139 6.5326 8.6586 8.6804 8.8306 8.8516 k = 0.6869-0.0971 0.2831 ( 3818 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1138 -42.1138 -42.0688 -42.0688 -15.5162 -15.5160 -15.3282 -15.3121 -14.8503 -14.8360 -14.7496 -14.7481 -3.7841 -3.7358 -3.5706 -3.5610 -3.3362 -3.2950 -3.0957 -3.0832 -2.9269 -2.9191 -0.6352 -0.6296 0.0525 0.1014 0.5240 0.5486 0.7337 0.7628 1.4725 1.4730 1.4919 1.4979 1.5539 1.5629 6.3928 6.3999 6.5272 6.5451 8.6621 8.6875 8.8398 8.8618 k = 0.6941-0.1108 0.2831 ( 3822 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1138 -42.1138 -42.0689 -42.0688 -15.5158 -15.5156 -15.3281 -15.3113 -14.8506 -14.8358 -14.7514 -14.7498 -3.7738 -3.7195 -3.5676 -3.5541 -3.3218 -3.2777 -3.1015 -3.0898 -2.9351 -2.9285 -0.6347 -0.6292 0.0455 0.0946 0.5156 0.5398 0.7083 0.7378 1.4725 1.4746 1.4954 1.5044 1.5528 1.5624 6.4018 6.4085 6.5401 6.5570 8.6647 8.6940 8.8481 8.8712 k = 0.7013-0.1246 0.2831 ( 3822 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1138 -42.1138 -42.0689 -42.0688 -15.5159 -15.5156 -15.3279 -15.3105 -14.8508 -14.8355 -14.7531 -14.7513 -3.7636 -3.7032 -3.5649 -3.5478 -3.3078 -3.2603 -3.1067 -3.0954 -2.9437 -2.9382 -0.6341 -0.6289 0.0393 0.0886 0.5089 0.5327 0.6836 0.7134 1.4703 1.4730 1.5015 1.5119 1.5512 1.5616 6.4100 6.4163 6.5524 6.5681 8.6665 8.6998 8.8555 8.8799 k = 0.7084-0.1384 0.2831 ( 3822 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1139 -42.1139 -42.0688 -42.0688 -15.5164 -15.5162 -15.3276 -15.3095 -14.8509 -14.8350 -14.7546 -14.7527 -3.7537 -3.6869 -3.5628 -3.5422 -3.2946 -3.2429 -3.1108 -3.0997 -2.9525 -2.9482 -0.6336 -0.6285 0.0341 0.0832 0.5040 0.5272 0.6599 0.6898 1.4674 1.4701 1.5076 1.5188 1.5493 1.5606 6.4176 6.4234 6.5640 6.5783 8.6674 8.7049 8.8616 8.8877 k = 0.7156-0.1522 0.2831 ( 3828 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1139 -42.1139 -42.0689 -42.0688 -15.5175 -15.5172 -15.3271 -15.3084 -14.8508 -14.8343 -14.7560 -14.7540 -3.7441 -3.6709 -3.5611 -3.5375 -3.2827 -3.2257 -3.1137 -3.1023 -2.9616 -2.9584 -0.6330 -0.6281 0.0296 0.0785 0.5008 0.5233 0.6373 0.6672 1.4645 1.4670 1.5125 1.5246 1.5473 1.5597 6.4244 6.4296 6.5748 6.5875 8.6674 8.7093 8.8663 8.8945 k = 0.7228-0.1659 0.2831 ( 3822 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1139 -42.1139 -42.0688 -42.0688 -15.5190 -15.5187 -15.3263 -15.3071 -14.8505 -14.8335 -14.7572 -14.7551 -3.7347 -3.6553 -3.5598 -3.5339 -3.2722 -3.2089 -3.1151 -3.1028 -2.9707 -2.9686 -0.6324 -0.6278 0.0259 0.0742 0.4992 0.5210 0.6161 0.6458 1.4616 1.4640 1.5158 1.5282 1.5460 1.5590 6.4306 6.4351 6.5847 6.5957 8.6665 8.7131 8.8695 8.9004 k = 0.7300-0.1797 0.2831 ( 3820 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1139 -42.1138 -42.0688 -42.0688 -15.5211 -15.5208 -15.3255 -15.3056 -14.8501 -14.8325 -14.7583 -14.7561 -3.7256 -3.6404 -3.5588 -3.5317 -3.2634 -3.1930 -3.1149 -3.1014 -2.9795 -2.9784 -0.6319 -0.6274 0.0229 0.0704 0.4992 0.5202 0.5967 0.6260 1.4589 1.4611 1.5171 1.5283 1.5467 1.5589 6.4360 6.4398 6.5936 6.6027 8.6649 8.7161 8.8709 8.9052 k = 0.7372-0.1935 0.2831 ( 3822 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1138 -42.1138 -42.0688 -42.0688 -15.5237 -15.5233 -15.3245 -15.3041 -14.8496 -14.8313 -14.7591 -14.7569 -3.7168 -3.6266 -3.5581 -3.5308 -3.2564 -3.1784 -3.1130 -3.0984 -2.9874 -2.9873 -0.6313 -0.6271 0.0205 0.0670 0.5003 0.5206 0.5795 0.6080 1.4564 1.4583 1.5162 1.5251 1.5491 1.5593 6.4407 6.4438 6.6015 6.6086 8.6624 8.7182 8.8705 8.9090 k = 0.2628-0.5035 0.5818 ( 3822 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1138 -42.1138 -42.0688 -42.0688 -15.5237 -15.5233 -15.3245 -15.3041 -14.8496 -14.8313 -14.7591 -14.7569 -3.7168 -3.6266 -3.5581 -3.5308 -3.2564 -3.1784 -3.1130 -3.0984 -2.9874 -2.9873 -0.6313 -0.6271 0.0205 0.0670 0.5003 0.5206 0.5795 0.6080 1.4564 1.4583 1.5162 1.5251 1.5491 1.5593 6.4407 6.4438 6.6015 6.6086 8.6624 8.7182 8.8705 8.9090 k = 0.2557-0.4899 0.5818 ( 3824 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1138 -42.1138 -42.0688 -42.0688 -15.5267 -15.5263 -15.3233 -15.3024 -14.8489 -14.8300 -14.7598 -14.7577 -3.7084 -3.6146 -3.5571 -3.5315 -3.2508 -3.1654 -3.1098 -3.0946 -2.9947 -2.9936 -0.6308 -0.6268 0.0186 0.0638 0.5018 0.5218 0.5656 0.5927 1.4542 1.4559 1.5134 1.5199 1.5518 1.5600 6.4447 6.4470 6.6081 6.6133 8.6592 8.7195 8.8683 8.9114 k = 0.2486-0.4763 0.5818 ( 3818 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1138 -42.1138 -42.0688 -42.0688 -15.5303 -15.5298 -15.3220 -15.3006 -14.8481 -14.8286 -14.7603 -14.7582 -3.7004 -3.6051 -3.5553 -3.5336 -3.2462 -3.1542 -3.1061 -3.0915 -2.9994 -2.9971 -0.6303 -0.6265 0.0171 0.0609 0.5026 0.5226 0.5562 0.5811 1.4522 1.4536 1.5089 1.5134 1.5543 1.5609 6.4479 6.4494 6.6137 6.6169 8.6553 8.7199 8.8644 8.9126 k = 0.2415-0.4627 0.5818 ( 3816 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1138 -42.1138 -42.0688 -42.0688 -15.5342 -15.5338 -15.3206 -15.2987 -14.8472 -14.8269 -14.7606 -14.7587 -3.6928 -3.5990 -3.5519 -3.5372 -3.2418 -3.1448 -3.1030 -3.0909 -3.0003 -2.9964 -0.6298 -0.6262 0.0161 0.0580 0.5008 0.5218 0.5529 0.5745 1.4504 1.4515 1.5031 1.5059 1.5562 1.5617 6.4504 6.4511 6.6181 6.6192 8.6507 8.7193 8.8591 8.9120 k = 0.2344-0.4491 0.5818 ( 3816 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1138 -42.1138 -42.0688 -42.0688 -15.5386 -15.5382 -15.3190 -15.2967 -14.8461 -14.8252 -14.7606 -14.7590 -3.6856 -3.5968 -3.5468 -3.5423 -3.2373 -3.1378 -3.1008 -3.0935 -2.9965 -2.9911 -0.6293 -0.6259 0.0153 0.0553 0.4965 0.5181 0.5559 0.5742 1.4488 1.4494 1.4962 1.4975 1.5575 1.5621 6.4521 6.4521 6.6204 6.6214 8.6455 8.7177 8.8526 8.9094 k = 0.2273-0.4355 0.5818 ( 3820 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1138 -42.1138 -42.0688 -42.0688 -15.5434 -15.5429 -15.3174 -15.2947 -14.8450 -14.8233 -14.7605 -14.7592 -3.6788 -3.5979 -3.5487 -3.5407 -3.2322 -3.1352 -3.0994 -3.0977 -2.9882 -2.9816 -0.6288 -0.6255 0.0149 0.0526 0.4911 0.5126 0.5637 0.5793 1.4471 1.4472 1.4885 1.4885 1.5580 1.5620 6.4523 6.4532 6.6205 6.6235 8.6397 8.7150 8.8453 8.9045 k = 0.2202-0.4219 0.5818 ( 3822 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1138 -42.1138 -42.0688 -42.0688 -15.5486 -15.5481 -15.3156 -15.2926 -14.8437 -14.8213 -14.7602 -14.7592 -3.6725 -3.6015 -3.5562 -3.5344 -3.2261 -3.1382 -3.1074 -3.0913 -2.9764 -2.9689 -0.6283 -0.6252 0.0147 0.0501 0.4862 0.5067 0.5747 0.5881 1.4446 1.4451 1.4791 1.4804 1.5579 1.5614 6.4518 6.4535 6.6193 6.6244 8.6334 8.7111 8.8374 8.8970 k = 0.2131-0.4083 0.5818 ( 3822 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1137 -42.1137 -42.0688 -42.0688 -15.5541 -15.5536 -15.3138 -15.2905 -14.8424 -14.8192 -14.7597 -14.7591 -3.6667 -3.6069 -3.5647 -3.5287 -3.2191 -3.1460 -3.1166 -3.0817 -2.9622 -2.9542 -0.6277 -0.6249 0.0147 0.0476 0.4825 0.5016 0.5881 0.5997 1.4408 1.4420 1.4700 1.4727 1.5571 1.5602 6.4506 6.4530 6.6172 6.6241 8.6267 8.7060 8.8290 8.8874 k = 0.2060-0.3947 0.5818 ( 3818 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1137 -42.1137 -42.0688 -42.0688 -15.5598 -15.5593 -15.3119 -15.2884 -14.8410 -14.8170 -14.7589 -14.7588 -3.6616 -3.6137 -3.5738 -3.5239 -3.2116 -3.1566 -3.1258 -3.0699 -2.9465 -2.9383 -0.6272 -0.6245 0.0151 0.0453 0.4806 0.4980 0.6033 0.6131 1.4349 1.4364 1.4628 1.4664 1.5557 1.5585 6.4487 6.4518 6.6140 6.6228 8.6196 8.6998 8.8204 8.8760 k = 0.1989-0.3810 0.5818 ( 3820 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1137 -42.1137 -42.0688 -42.0688 -15.5658 -15.5654 -15.3100 -15.2863 -14.8395 -14.8148 -14.7585 -14.7580 -3.6573 -3.6216 -3.5833 -3.5203 -3.2047 -3.1688 -3.1335 -3.0568 -2.9300 -2.9216 -0.6266 -0.6241 0.0157 0.0432 0.4805 0.4960 0.6199 0.6282 1.4261 1.4271 1.4585 1.4622 1.5537 1.5561 6.4461 6.4499 6.6098 6.6204 8.6121 8.6924 8.8115 8.8632 k = 0.1918-0.3674 0.5818 ( 3818 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1137 -42.1137 -42.0688 -42.0688 -15.5721 -15.5716 -15.3080 -15.2842 -14.8380 -14.8126 -14.7580 -14.7569 -3.6542 -3.6304 -3.5927 -3.5177 -3.2006 -3.1819 -3.1374 -3.0427 -2.9132 -2.9046 -0.6260 -0.6236 0.0166 0.0414 0.4824 0.4958 0.6378 0.6445 1.4147 1.4148 1.4565 1.4598 1.5511 1.5533 6.4427 6.4472 6.6047 6.6170 8.6043 8.6841 8.8022 8.8494 k = 0.1847-0.3538 0.5818 ( 3816 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1137 -42.1137 -42.0688 -42.0688 -15.5785 -15.5780 -15.3060 -15.2822 -14.8365 -14.8103 -14.7573 -14.7557 -3.6528 -3.6400 -3.6011 -3.5162 -3.2015 -3.1956 -3.1350 -3.0278 -2.8963 -2.8875 -0.6253 -0.6231 0.0180 0.0401 0.4861 0.4974 0.6568 0.6620 1.4001 1.4014 1.4558 1.4586 1.5480 1.5498 6.4387 6.4438 6.5988 6.6126 8.5963 8.6748 8.7926 8.8347 k = 0.1776-0.3402 0.5818 ( 3812 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0688 -42.0688 -15.5850 -15.5846 -15.3040 -15.2801 -14.8349 -14.8081 -14.7565 -14.7543 -3.6542 -3.6503 -3.6076 -3.5156 -3.2096 -3.2077 -3.1263 -3.0125 -2.8795 -2.8705 -0.6246 -0.6226 0.0199 0.0395 0.4915 0.5008 0.6767 0.6804 1.3841 1.3865 1.4558 1.4582 1.5443 1.5459 6.4340 6.4396 6.5922 6.6073 8.5880 8.6647 8.7826 8.8195 k = 0.1705-0.3266 0.5818 ( 3812 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0688 -42.0687 -15.5916 -15.5912 -15.3020 -15.2782 -14.8332 -14.8059 -14.7556 -14.7527 -3.6610 -3.6590 -3.6112 -3.5158 -3.2237 -3.2171 -3.1134 -2.9967 -2.8631 -2.8537 -0.6238 -0.6220 0.0224 0.0394 0.4987 0.5058 0.6973 0.6995 1.3668 1.3704 1.4562 1.4582 1.5402 1.5415 6.4286 6.4347 6.5849 6.6013 8.5796 8.6538 8.7722 8.8038 k = 0.1634-0.3130 0.5818 ( 3816 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0688 -42.0688 -15.5983 -15.5979 -15.3000 -15.2763 -14.8316 -14.8038 -14.7545 -14.7511 -3.6721 -3.6670 -3.6122 -3.5168 -3.2378 -3.2282 -3.0980 -2.9808 -2.8470 -2.8374 -0.6230 -0.6213 0.0256 0.0402 0.5073 0.5125 0.7185 0.7193 1.3485 1.3532 1.4567 1.4585 1.5356 1.5366 6.4225 6.4290 6.5772 6.5945 8.5710 8.6424 8.7614 8.7878 k = 0.1563-0.2994 0.5818 ( 3818 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0688 -42.0688 -15.6050 -15.6046 -15.2980 -15.2745 -14.8299 -14.8018 -14.7533 -14.7493 -3.6835 -3.6770 -3.6116 -3.5183 -3.2517 -3.2400 -3.0811 -2.9648 -2.8314 -2.8215 -0.6221 -0.6205 0.0295 0.0419 0.5173 0.5206 0.7396 0.7401 1.3293 1.3352 1.4573 1.4589 1.5306 1.5313 6.4158 6.4226 6.5690 6.5872 8.5623 8.6305 8.7503 8.7718 k = 0.1492-0.2858 0.5818 ( 3816 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1135 -42.0687 -42.0687 -15.6117 -15.6114 -15.2959 -15.2728 -14.8282 -14.8000 -14.7519 -14.7475 -3.6950 -3.6881 -3.6100 -3.5203 -3.2654 -3.2521 -3.0634 -2.9488 -2.8164 -2.8062 -0.6211 -0.6197 0.0342 0.0446 0.5286 0.5301 0.7601 0.7622 1.3091 1.3163 1.4580 1.4593 1.5253 1.5257 6.4085 6.4155 6.5607 6.5794 8.5536 8.6183 8.7390 8.7558 k = 0.1421-0.2722 0.5818 ( 3814 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1135 -42.0687 -42.0687 -15.6183 -15.6180 -15.2939 -15.2712 -14.8265 -14.7982 -14.7505 -14.7456 -3.7065 -3.6998 -3.6081 -3.5227 -3.2788 -3.2643 -3.0451 -2.9331 -2.8019 -2.7915 -0.6201 -0.6188 0.0399 0.0484 0.5407 0.5409 0.7809 0.7844 1.2881 1.2967 1.4585 1.4597 1.5196 1.5197 6.4007 6.4078 6.5521 6.5712 8.5447 8.6057 8.7275 8.7401 k = 0.1350-0.2586 0.5818 ( 3814 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1135 -42.0687 -42.0687 -15.6249 -15.6246 -15.2920 -15.2697 -14.8248 -14.7966 -14.7489 -14.7437 -3.7180 -3.7116 -3.6060 -3.5255 -3.2917 -3.2762 -3.0266 -2.9176 -2.7881 -2.7775 -0.6190 -0.6178 0.0465 0.0532 0.5524 0.5542 0.8017 0.8068 1.2664 1.2764 1.4590 1.4601 1.5134 1.5137 6.3923 6.3993 6.5436 6.5627 8.5359 8.5931 8.7160 8.7246 k = 0.1279-0.2450 0.5818 ( 3818 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1135 -42.0687 -42.0687 -15.6313 -15.6310 -15.2900 -15.2683 -14.8230 -14.7952 -14.7472 -14.7418 -3.7294 -3.7235 -3.6040 -3.5286 -3.3042 -3.2879 -3.0081 -2.9026 -2.7749 -2.7641 -0.6179 -0.6167 0.0540 0.0592 0.5650 0.5682 0.8225 0.8291 1.2440 1.2557 1.4592 1.4603 1.5069 1.5076 6.3834 6.3903 6.5350 6.5541 8.5271 8.5803 8.7046 8.7096 k = 0.1207-0.2313 0.5818 ( 3812 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1134 -42.1134 -42.0687 -42.0687 -15.6376 -15.6373 -15.2881 -15.2670 -14.8213 -14.7939 -14.7455 -14.7398 -3.7405 -3.7352 -3.6021 -3.5319 -3.3162 -3.2992 -2.9897 -2.8881 -2.7623 -2.7514 -0.6166 -0.6156 0.0626 0.0662 0.5782 0.5829 0.8429 0.8513 1.2210 1.2346 1.4593 1.4604 1.5001 1.5013 6.3741 6.3808 6.5267 6.5455 8.5184 8.5676 8.6934 8.6952 k = 0.1136-0.2177 0.5818 ( 3816 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1134 -42.1134 -42.0687 -42.0687 -15.6437 -15.6434 -15.2862 -15.2658 -14.8196 -14.7929 -14.7436 -14.7379 -3.7514 -3.7466 -3.6003 -3.5354 -3.3276 -3.3101 -2.9716 -2.8743 -2.7504 -2.7394 -0.6154 -0.6145 0.0720 0.0744 0.5921 0.5981 0.8628 0.8732 1.1975 1.2133 1.4590 1.4603 1.4932 1.4950 6.3644 6.3708 6.5186 6.5368 8.5097 8.5549 8.6815 8.6824 k = 0.1065-0.2041 0.5818 ( 3818 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1134 -42.1134 -42.0687 -42.0687 -15.6495 -15.6493 -15.2843 -15.2648 -14.8178 -14.7919 -14.7418 -14.7361 -3.7619 -3.7576 -3.5986 -3.5391 -3.3384 -3.3206 -2.9540 -2.8612 -2.7391 -2.7282 -0.6141 -0.6133 0.0824 0.0835 0.6064 0.6136 0.8821 0.8946 1.1737 1.1920 1.4583 1.4599 1.4861 1.4887 6.3545 6.3605 6.5107 6.5283 8.5011 8.5425 8.6685 8.6718 k = 0.0994-0.1905 0.5818 ( 3814 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1133 -42.1133 -42.0687 -42.0687 -15.6551 -15.6550 -15.2825 -15.2638 -14.8161 -14.7912 -14.7399 -14.7342 -3.7720 -3.7682 -3.5972 -3.5428 -3.3485 -3.3305 -2.9369 -2.8490 -2.7285 -2.7177 -0.6128 -0.6121 0.0935 0.0937 0.6210 0.6294 0.9004 0.9156 1.1496 1.1709 1.4570 1.4593 1.4791 1.4825 6.3445 6.3501 6.5033 6.5201 8.4928 8.5304 8.6563 8.6616 k = 0.0923-0.1769 0.5818 ( 3816 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1133 -42.1133 -42.0687 -42.0687 -15.6605 -15.6603 -15.2808 -15.2630 -14.8144 -14.7906 -14.7380 -14.7325 -3.7816 -3.7782 -3.5958 -3.5465 -3.3579 -3.3399 -2.9204 -2.8377 -2.7184 -2.7080 -0.6115 -0.6108 0.1046 0.1054 0.6358 0.6453 0.9173 0.9357 1.1256 1.1505 1.4551 1.4583 1.4721 1.4768 6.3344 6.3396 6.4962 6.5121 8.4847 8.5186 8.6451 8.6518 k = 0.0852-0.1633 0.5818 ( 3812 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1133 -42.1133 -42.0687 -42.0687 -15.6656 -15.6654 -15.2791 -15.2624 -14.8127 -14.7902 -14.7362 -14.7309 -3.7907 -3.7877 -3.5947 -3.5502 -3.3665 -3.3488 -2.9047 -2.8275 -2.7090 -2.6989 -0.6101 -0.6096 0.1163 0.1179 0.6506 0.6612 0.9324 0.9548 1.1018 1.1314 1.4523 1.4566 1.4656 1.4717 6.3245 6.3291 6.4897 6.5045 8.4768 8.5073 8.6347 8.6426 k = 0.0781-0.1497 0.5818 ( 3810 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1133 -42.1132 -42.0687 -42.0687 -15.6703 -15.6702 -15.2774 -15.2618 -14.8110 -14.7899 -14.7344 -14.7293 -3.7992 -3.7966 -3.5936 -3.5540 -3.3744 -3.3571 -2.8898 -2.8183 -2.7002 -2.6907 -0.6088 -0.6083 0.1285 0.1308 0.6654 0.6770 0.9448 0.9721 1.0790 1.1142 1.4485 1.4534 1.4606 1.4675 6.3147 6.3189 6.4835 6.4972 8.4694 8.4965 8.6253 8.6340 k = 0.0710-0.1361 0.5818 ( 3804 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1132 -42.1132 -42.0687 -42.0687 -15.6747 -15.6746 -15.2758 -15.2614 -14.8093 -14.7898 -14.7326 -14.7279 -3.8070 -3.8048 -3.5927 -3.5576 -3.3815 -3.3648 -2.8758 -2.8101 -2.6920 -2.6831 -0.6076 -0.6071 0.1412 0.1439 0.6800 0.6926 0.9534 0.9863 1.0588 1.1001 1.4437 1.4480 1.4578 1.4641 6.3053 6.3090 6.4779 6.4905 8.4624 8.4864 8.6168 8.6259 k = 0.0639-0.1225 0.5818 ( 3798 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1132 -42.1132 -42.0687 -42.0686 -15.6787 -15.6786 -15.2742 -15.2611 -14.8077 -14.7897 -14.7309 -14.7266 -3.8143 -3.8123 -3.5919 -3.5611 -3.3877 -3.3719 -2.8626 -2.8032 -2.6844 -2.6762 -0.6063 -0.6060 0.1539 0.1570 0.6945 0.7079 0.9569 0.9924 1.0458 1.0905 1.4384 1.4417 1.4558 1.4613 6.2963 6.2996 6.4728 6.4842 8.4558 8.4769 8.6093 8.6184 k = 0.0568-0.1089 0.5818 ( 3796 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1132 -42.1132 -42.0687 -42.0686 -15.6824 -15.6823 -15.2727 -15.2609 -14.8061 -14.7899 -14.7294 -14.7254 -3.8208 -3.8192 -3.5912 -3.5645 -3.3931 -3.3784 -2.8505 -2.7973 -2.6775 -2.6701 -0.6052 -0.6049 0.1666 0.1699 0.7087 0.7228 0.9546 0.9843 1.0465 1.0861 1.4329 1.4353 1.4542 1.4588 6.2879 6.2907 6.4682 6.4784 8.4499 8.4682 8.6027 8.6116 k = 0.0497-0.0953 0.5818 ( 3800 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1132 -42.1132 -42.0687 -42.0687 -15.6857 -15.6856 -15.2713 -15.2608 -14.8045 -14.7902 -14.7279 -14.7244 -3.8267 -3.8253 -3.5905 -3.5677 -3.3978 -3.3843 -2.8393 -2.7926 -2.6712 -2.6648 -0.6041 -0.6039 0.1788 0.1823 0.7225 0.7373 0.9470 0.9670 1.0557 1.0863 1.4274 1.4292 1.4526 1.4566 6.2802 6.2826 6.4642 6.4731 8.4446 8.4602 8.5970 8.6054 k = 0.0426-0.0817 0.5818 ( 3798 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1132 -42.1132 -42.0687 -42.0686 -15.6886 -15.6885 -15.2700 -15.2609 -14.8030 -14.7905 -14.7266 -14.7235 -3.8318 -3.8307 -3.5898 -3.5707 -3.4016 -3.3896 -2.8292 -2.7890 -2.6657 -2.6601 -0.6032 -0.6030 0.1904 0.1938 0.7361 0.7513 0.9356 0.9472 1.0669 1.0898 1.4222 1.4235 1.4511 1.4545 6.2734 6.2754 6.4608 6.4684 8.4400 8.4531 8.5923 8.5999 k = 0.0355-0.0680 0.5818 ( 3802 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1131 -42.1131 -42.0687 -42.0686 -15.6910 -15.6910 -15.2687 -15.2611 -14.8015 -14.7911 -14.7255 -14.7229 -3.8362 -3.8352 -3.5891 -3.5735 -3.4046 -3.3943 -2.8201 -2.7865 -2.6608 -2.6562 -0.6024 -0.6022 0.2011 0.2043 0.7494 0.7647 0.9222 0.9273 1.0778 1.0947 1.4174 1.4184 1.4498 1.4526 6.2674 6.2690 6.4580 6.4643 8.4361 8.4469 8.5884 8.5951 k = 0.0284-0.0544 0.5818 ( 3804 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1131 -42.1131 -42.0687 -42.0687 -15.6930 -15.6930 -15.2675 -15.2614 -14.8001 -14.7917 -14.7244 -14.7223 -3.8397 -3.8390 -3.5883 -3.5761 -3.4068 -3.3983 -2.8120 -2.7852 -2.6568 -2.6531 -0.6017 -0.6015 0.2105 0.2132 0.7625 0.7775 0.9080 0.9083 1.0875 1.0998 1.4132 1.4139 1.4487 1.4510 6.2624 6.2637 6.4557 6.4608 8.4331 8.4416 8.5855 8.5910 k = 0.0213-0.0408 0.5818 ( 3800 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1131 -42.1131 -42.0686 -42.0686 -15.6946 -15.6946 -15.2664 -15.2618 -14.7988 -14.7924 -14.7236 -14.7220 -3.8425 -3.8420 -3.5874 -3.5784 -3.4082 -3.4018 -2.8050 -2.7848 -2.6535 -2.6507 -0.6011 -0.6010 0.2182 0.2205 0.7752 0.7892 0.8910 0.8940 1.0956 1.1042 1.4098 1.4103 1.4478 1.4496 6.2585 6.2595 6.4541 6.4580 8.4309 8.4372 8.5834 8.5876 k = 0.0142-0.0272 0.5818 ( 3790 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1131 -42.1131 -42.0686 -42.0686 -15.6957 -15.6957 -15.2654 -15.2623 -14.7975 -14.7932 -14.7229 -14.7218 -3.8444 -3.8441 -3.5864 -3.5804 -3.4089 -3.4045 -2.7990 -2.7856 -2.6510 -2.6491 -0.6007 -0.6006 0.2242 0.2257 0.7873 0.7992 0.8764 0.8811 1.1019 1.1074 1.4073 1.4076 1.4473 1.4484 6.2558 6.2564 6.4532 6.4558 8.4296 8.4338 8.5821 8.5850 k = 0.0071-0.0136 0.5818 ( 3788 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1131 -42.1131 -42.0686 -42.0686 -15.6964 -15.6964 -15.2645 -15.2629 -14.7963 -14.7942 -14.7223 -14.7218 -3.8456 -3.8454 -3.5852 -3.5822 -3.4088 -3.4066 -2.7941 -2.7874 -2.6493 -2.6484 -0.6004 -0.6004 0.2280 0.2288 0.7980 0.8054 0.8666 0.8705 1.1063 1.1090 1.4057 1.4059 1.4470 1.4476 6.2541 6.2545 6.4529 6.4542 8.4292 8.4313 8.5816 8.5831 k = 0.0000 0.0000 0.5818 ( 3788 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1131 -42.1131 -42.0686 -42.0686 -15.6966 -15.6966 -15.2636 -15.2636 -14.7952 -14.7952 -14.7220 -14.7220 -3.8459 -3.8459 -3.5838 -3.5838 -3.4081 -3.4081 -2.7902 -2.7902 -2.6484 -2.6484 -0.6003 -0.6003 0.2295 0.2295 0.8050 0.8050 0.8646 0.8646 1.1086 1.1086 1.4053 1.4053 1.4471 1.4471 6.2537 6.2537 6.4532 6.4532 8.4298 8.4298 8.5820 8.5820 k = 0.0000 0.0000 0.5818 ( 3788 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1131 -42.1131 -42.0686 -42.0686 -15.6966 -15.6966 -15.2636 -15.2636 -14.7952 -14.7952 -14.7220 -14.7220 -3.8459 -3.8459 -3.5838 -3.5838 -3.4081 -3.4081 -2.7902 -2.7902 -2.6484 -2.6484 -0.6003 -0.6003 0.2295 0.2295 0.8050 0.8050 0.8646 0.8646 1.1086 1.1086 1.4053 1.4053 1.4471 1.4471 6.2537 6.2537 6.4532 6.4532 8.4298 8.4298 8.5820 8.5820 k = 0.0136 0.0071 0.5818 ( 3788 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1131 -42.1131 -42.0686 -42.0686 -15.6972 -15.6955 -15.2648 -15.2626 -14.7959 -14.7947 -14.7233 -14.7206 -3.8478 -3.8446 -3.5921 -3.5760 -3.4188 -3.3972 -2.7984 -2.7841 -2.6517 -2.6476 -0.6027 -0.5982 0.2283 0.2337 0.7969 0.8145 0.8631 0.8682 1.1012 1.1164 1.4042 1.4061 1.4467 1.4480 6.2522 6.2544 6.4513 6.4536 8.4182 8.4404 8.5736 8.5927 k = 0.0272 0.0142 0.5818 ( 3792 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1131 -42.1131 -42.0686 -42.0686 -15.6973 -15.6938 -15.2661 -15.2616 -14.7968 -14.7945 -14.7244 -14.7191 -3.8503 -3.8439 -3.6010 -3.5689 -3.4291 -3.3863 -2.8086 -2.7800 -2.6575 -2.6493 -0.6051 -0.5963 0.2300 0.2410 0.7902 0.8250 0.8640 0.8738 1.0941 1.1244 1.4029 1.4067 1.4467 1.4491 6.2500 6.2544 6.4480 6.4526 8.4063 8.4493 8.5683 8.6050 k = 0.0408 0.0213 0.5818 ( 3790 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1131 -42.1131 -42.0686 -42.0686 -15.6969 -15.6917 -15.2674 -15.2608 -14.7980 -14.7944 -14.7255 -14.7176 -3.8533 -3.8438 -3.6102 -3.5626 -3.4387 -3.3755 -2.8212 -2.7776 -2.6656 -2.6534 -0.6075 -0.5948 0.2342 0.2514 0.7851 0.8363 0.8675 0.8814 1.0874 1.1327 1.4016 1.4070 1.4471 1.4506 6.2472 6.2536 6.4433 6.4501 8.3946 8.4556 8.5669 8.6185 k = 0.0544 0.0284 0.5818 ( 3792 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1131 -42.1131 -42.0686 -42.0686 -15.6959 -15.6890 -15.2689 -15.2600 -14.7994 -14.7944 -14.7263 -14.7160 -3.8569 -3.8442 -3.6200 -3.5574 -3.4474 -3.3648 -2.8360 -2.7768 -2.6759 -2.6599 -0.6098 -0.5936 0.2407 0.2648 0.7816 0.8480 0.8739 0.8908 1.0811 1.1412 1.4000 1.4072 1.4478 1.4523 6.2436 6.2520 6.4372 6.4463 8.3833 8.4589 8.5700 8.6327 k = 0.0680 0.0355 0.5818 ( 3796 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1131 -42.1131 -42.0686 -42.0686 -15.6944 -15.6859 -15.2704 -15.2594 -14.8012 -14.7946 -14.7270 -14.7145 -3.8610 -3.8453 -3.6302 -3.5536 -3.4546 -3.3545 -2.8533 -2.7776 -2.6884 -2.6684 -0.6118 -0.5927 0.2491 0.2810 0.7798 0.8597 0.8833 0.9021 1.0753 1.1500 1.3985 1.4071 1.4490 1.4543 6.2393 6.2495 6.4298 6.4412 8.3727 8.4594 8.5773 8.6474 k = 0.0816 0.0426 0.5818 ( 3797 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1131 -42.1131 -42.0687 -42.0686 -15.6923 -15.6823 -15.2721 -15.2589 -14.8032 -14.7949 -14.7275 -14.7129 -3.8656 -3.8469 -3.6409 -3.5517 -3.4599 -3.3446 -2.8729 -2.7797 -2.7027 -2.6788 -0.6135 -0.5921 0.2590 0.2998 0.7796 0.8715 0.8954 0.9153 1.0700 1.1590 1.3968 1.4068 1.4505 1.4564 6.2344 6.2462 6.4211 6.4348 8.3630 8.4579 8.5880 8.6624 k = 0.0952 0.0497 0.5818 ( 3789 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1131 -42.1131 -42.0687 -42.0686 -15.6898 -15.6783 -15.2738 -15.2585 -14.8054 -14.7952 -14.7279 -14.7113 -3.8706 -3.8490 -3.6520 -3.5521 -3.4627 -3.3351 -2.8949 -2.7831 -2.7189 -2.6905 -0.6147 -0.5917 0.2701 0.3208 0.7811 0.8840 0.9093 0.9302 1.0654 1.1682 1.3953 1.4065 1.4523 1.4588 6.2288 6.2420 6.4112 6.4273 8.3544 8.4554 8.6010 8.6773 k = 0.1088 0.0568 0.5818 ( 3794 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1132 -42.1131 -42.0687 -42.0686 -15.6867 -15.6739 -15.2757 -15.2582 -14.8080 -14.7956 -14.7280 -14.7098 -3.8761 -3.8516 -3.6637 -3.5547 -3.4630 -3.3262 -2.9191 -2.7876 -2.7369 -2.7034 -0.6155 -0.5914 0.2821 0.3438 0.7842 0.8976 0.9244 0.9468 1.0615 1.1777 1.3937 1.4061 1.4544 1.4612 6.2224 6.2368 6.4002 6.4186 8.3470 8.4526 8.6155 8.6921 k = 0.1224 0.0639 0.5818 ( 3797 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1132 -42.1131 -42.0687 -42.0686 -15.6831 -15.6690 -15.2777 -15.2581 -14.8107 -14.7961 -14.7281 -14.7084 -3.8819 -3.8547 -3.6758 -3.5594 -3.4611 -3.3179 -2.9454 -2.7931 -2.7564 -2.7170 -0.6158 -0.5913 0.2946 0.3682 0.7890 0.9125 0.9402 0.9647 1.0587 1.1874 1.3923 1.4057 1.4567 1.4638 6.2155 6.2308 6.3881 6.4090 8.3408 8.4501 8.6311 8.7065 k = 0.1360 0.0710 0.5818 ( 3794 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1132 -42.1131 -42.0687 -42.0686 -15.6791 -15.6639 -15.2798 -15.2581 -14.8136 -14.7966 -14.7279 -14.7069 -3.8881 -3.8581 -3.6884 -3.5655 -3.4573 -3.3104 -2.9737 -2.7994 -2.7772 -2.7311 -0.6156 -0.5913 0.3075 0.3938 0.7954 0.9284 0.9564 0.9834 1.0574 1.1975 1.3911 1.4054 1.4591 1.4665 6.2078 6.2238 6.3751 6.3986 8.3359 8.4482 8.6472 8.7206 k = 0.1496 0.0781 0.5818 ( 3788 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1132 -42.1131 -42.0687 -42.0686 -15.6746 -15.6584 -15.2820 -15.2583 -14.8167 -14.7971 -14.7277 -14.7056 -3.8946 -3.8620 -3.7014 -3.5726 -3.4523 -3.3038 -3.0035 -2.8065 -2.7988 -2.7454 -0.6150 -0.5913 0.3206 0.4200 0.8034 0.9450 0.9731 1.0023 1.0583 1.2078 1.3901 1.4051 1.4616 1.4692 6.1995 6.2159 6.3613 6.3875 8.3324 8.4470 8.6635 8.7342 k = 0.1632 0.0852 0.5818 ( 3790 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1132 -42.1132 -42.0687 -42.0686 -15.6697 -15.6526 -15.2844 -15.2586 -14.8200 -14.7977 -14.7273 -14.7043 -3.9014 -3.8661 -3.7148 -3.5802 -3.4464 -3.2983 -3.0348 -2.8221 -2.8133 -2.7599 -0.6140 -0.5914 0.3339 0.4464 0.8129 0.9615 0.9899 1.0202 1.0628 1.2185 1.3893 1.4051 1.4642 1.4719 6.1905 6.2071 6.3467 6.3757 8.3303 8.4467 8.6797 8.7473 k = 0.1768 0.0923 0.5818 ( 3791 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1132 -42.1132 -42.0687 -42.0686 -15.6643 -15.6466 -15.2869 -15.2591 -14.8233 -14.7983 -14.7268 -14.7031 -3.9084 -3.8705 -3.7285 -3.5880 -3.4400 -3.2940 -3.0672 -2.8446 -2.8213 -2.7744 -0.6127 -0.5914 0.3472 0.4725 0.8239 0.9767 1.0069 1.0362 1.0726 1.2295 1.3890 1.4052 1.4668 1.4747 6.1808 6.1974 6.3315 6.3634 8.3294 8.4472 8.6956 8.7600 k = 0.1903 0.0994 0.5818 ( 3788 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1132 -42.1132 -42.0687 -42.0686 -15.6586 -15.6403 -15.2895 -15.2597 -14.8267 -14.7988 -14.7262 -14.7019 -3.9157 -3.8751 -3.7426 -3.5957 -3.4332 -3.2911 -3.1003 -2.8671 -2.8295 -2.7888 -0.6113 -0.5915 0.3606 0.4981 0.8365 0.9890 1.0238 1.0511 1.0880 1.2408 1.3892 1.4057 1.4694 1.4774 6.1706 6.1869 6.3158 6.3506 8.3298 8.4486 8.7110 8.7723 k = 0.2039 0.1064 0.5818 ( 3789 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1132 -42.1132 -42.0687 -42.0687 -15.6525 -15.6339 -15.2923 -15.2606 -14.8301 -14.7994 -14.7256 -14.7008 -3.9231 -3.8799 -3.7568 -3.6033 -3.4264 -3.2898 -3.1338 -2.8889 -2.8378 -2.8029 -0.6096 -0.5916 0.3739 0.5225 0.8504 0.9978 1.0405 1.0674 1.1065 1.2524 1.3900 1.4065 1.4720 1.4801 6.1597 6.1758 6.2996 6.3375 8.3315 8.4509 8.7255 8.7842 k = 0.2175 0.1135 0.5818 ( 3794 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1133 -42.1132 -42.0687 -42.0687 -15.6461 -15.6273 -15.2952 -15.2616 -14.8334 -14.8000 -14.7249 -14.6998 -3.9306 -3.8849 -3.7711 -3.6107 -3.4196 -3.2903 -3.1675 -2.9095 -2.8462 -2.8168 -0.6080 -0.5918 0.3873 0.5457 0.8657 1.0036 1.0567 1.0860 1.1264 1.2641 1.3917 1.4077 1.4745 1.4827 6.1483 6.1639 6.2832 6.3241 8.3342 8.4538 8.7389 8.7958 k = 0.2311 0.1206 0.5818 ( 3796 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1133 -42.1132 -42.0687 -42.0687 -15.6394 -15.6207 -15.2982 -15.2628 -14.8367 -14.8006 -14.7241 -14.6988 -3.9381 -3.8899 -3.7854 -3.6176 -3.4133 -3.2929 -3.2007 -2.9285 -2.8546 -2.8302 -0.6063 -0.5921 0.4008 0.5672 0.8821 1.0076 1.0723 1.1063 1.1465 1.2760 1.3944 1.4095 1.4770 1.4853 6.1364 6.1516 6.2667 6.3105 8.3379 8.4573 8.7510 8.8070 k = 0.2447 0.1277 0.5818 ( 3790 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1133 -42.1132 -42.0687 -42.0687 -15.6325 -15.6140 -15.3014 -15.2642 -14.8399 -14.8012 -14.7232 -14.6980 -3.9457 -3.8951 -3.7994 -3.6241 -3.4076 -3.2980 -3.2328 -2.9455 -2.8630 -2.8429 -0.6048 -0.5924 0.4143 0.5870 0.8997 1.0109 1.0871 1.1273 1.1661 1.2877 1.3982 1.4120 1.4793 1.4877 6.1240 6.1389 6.2501 6.2969 8.3425 8.4614 8.7617 8.8177 k = 0.2583 0.1348 0.5818 ( 3792 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1133 -42.1132 -42.0687 -42.0687 -15.6255 -15.6074 -15.3046 -15.2658 -14.8429 -14.8019 -14.7224 -14.6972 -3.9532 -3.9004 -3.8132 -3.6300 -3.4032 -3.3064 -3.2623 -2.9601 -2.8715 -2.8547 -0.6034 -0.5929 0.4277 0.6048 0.9182 1.0140 1.1010 1.1482 1.1848 1.2993 1.4034 1.4152 1.4816 1.4900 6.1114 6.1258 6.2337 6.2831 8.3479 8.4659 8.7709 8.8279 k = 0.2719 0.1419 0.5818 ( 3795 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1133 -42.1133 -42.0687 -42.0687 -15.6183 -15.6008 -15.3080 -15.2676 -14.8457 -14.8025 -14.7214 -14.6964 -3.9606 -3.9058 -3.8265 -3.6354 -3.4012 -3.3204 -3.2855 -2.9723 -2.8805 -2.8652 -0.6023 -0.5936 0.4412 0.6206 0.9374 1.0172 1.1139 1.1682 1.2024 1.3108 1.4099 1.4193 1.4837 1.4921 6.0985 6.1125 6.2174 6.2693 8.3539 8.4706 8.7787 8.8373 k = 0.2855 0.1490 0.5818 ( 3793 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1133 -42.1133 -42.0688 -42.0687 -15.6110 -15.5944 -15.3114 -15.2695 -14.8483 -14.8032 -14.7205 -14.6957 -3.9679 -3.9115 -3.8389 -3.6402 -3.4033 -3.3410 -3.2994 -2.9820 -2.8901 -2.8740 -0.6015 -0.5945 0.4547 0.6344 0.9571 1.0208 1.1258 1.1868 1.2187 1.3221 1.4177 1.4245 1.4857 1.4942 6.0855 6.0991 6.2015 6.2555 8.3604 8.4756 8.7851 8.8457 k = 0.2991 0.1561 0.5818 ( 3799 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1134 -42.1133 -42.0688 -42.0687 -15.6038 -15.5881 -15.3149 -15.2717 -14.8506 -14.8039 -14.7195 -14.6951 -3.9750 -3.9176 -3.8503 -3.6443 -3.4122 -3.3624 -3.3066 -2.9893 -2.9002 -2.8812 -0.6010 -0.5956 0.4681 0.6462 0.9770 1.0248 1.1366 1.2032 1.2336 1.3334 1.4263 1.4310 1.4875 1.4961 6.0726 6.0858 6.1859 6.2418 8.3672 8.4806 8.7901 8.8530 k = 0.3127 0.1632 0.5818 ( 3803 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1134 -42.1133 -42.0688 -42.0687 -15.5966 -15.5821 -15.3183 -15.2740 -14.8526 -14.8046 -14.7184 -14.6945 -3.9819 -3.9241 -3.8604 -3.6476 -3.4296 -3.3806 -3.3091 -2.9944 -2.9103 -2.8871 -0.6009 -0.5969 0.4813 0.6561 0.9970 1.0293 1.1464 1.2169 1.2471 1.3449 1.4350 1.4393 1.4893 1.4981 6.0599 6.0725 6.1708 6.2282 8.3743 8.4855 8.7940 8.8589 k = 0.3263 0.1703 0.5818 ( 3807 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1134 -42.1133 -42.0688 -42.0687 -15.5896 -15.5765 -15.3217 -15.2765 -14.8542 -14.8054 -14.7174 -14.6940 -3.9887 -3.9311 -3.8690 -3.6502 -3.4526 -3.3965 -3.3080 -2.9977 -2.9201 -2.8919 -0.6011 -0.5983 0.4943 0.6642 1.0166 1.0345 1.1551 1.2278 1.2594 1.3566 1.4434 1.4489 1.4909 1.5001 6.0475 6.0595 6.1563 6.2148 8.3816 8.4903 8.7967 8.8635 k = 0.3399 0.1774 0.5818 ( 3810 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1134 -42.1133 -42.0688 -42.0687 -15.5829 -15.5712 -15.3250 -15.2791 -14.8555 -14.8062 -14.7163 -14.6936 -3.9952 -3.9385 -3.8758 -3.6520 -3.4777 -3.4124 -3.3043 -2.9994 -2.9294 -2.8956 -0.6018 -0.6000 0.5070 0.6706 1.0340 1.0418 1.1627 1.2359 1.2703 1.3683 1.4521 1.4590 1.4925 1.5024 6.0357 6.0470 6.1425 6.2017 8.3889 8.4949 8.7984 8.8665 k = 0.3535 0.1845 0.5818 ( 3813 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1134 -42.1134 -42.0688 -42.0687 -15.5765 -15.5664 -15.3281 -15.2818 -14.8564 -14.8070 -14.7151 -14.6932 -4.0017 -3.9460 -3.8809 -3.6529 -3.5029 -3.4288 -3.2988 -2.9999 -2.9381 -2.8985 -0.6030 -0.6018 0.5193 0.6754 1.0430 1.0573 1.1694 1.2417 1.2797 1.3795 1.4609 1.4687 1.4941 1.5052 6.0246 6.0349 6.1293 6.1888 8.3961 8.4992 8.7991 8.8681 k = 0.3671 0.1916 0.5818 ( 3826 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1134 -42.0688 -42.0688 -15.5706 -15.5621 -15.3309 -15.2846 -14.8569 -14.8079 -14.7140 -14.6929 -4.0080 -3.9535 -3.8843 -3.6530 -3.5275 -3.4455 -3.2922 -2.9992 -2.9462 -2.9004 -0.6049 -0.6036 0.5312 0.6789 1.0491 1.0752 1.1752 1.2456 1.2877 1.3899 1.4694 1.4775 1.4961 1.5086 6.0142 6.0235 6.1169 6.1763 8.4033 8.5032 8.7991 8.8682 k = 0.5000 0.2610-0.2986 ( 3814 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1134 -42.1134 -42.0688 -42.0688 -15.5523 -15.5523 -15.3200 -15.3200 -14.8286 -14.8286 -14.6866 -14.6866 -4.0959 -4.0959 -3.7582 -3.7582 -3.6741 -3.6741 -3.1647 -3.1647 -3.0350 -3.0350 -0.6199 -0.6199 0.8350 0.8350 1.2601 1.2601 1.3891 1.3891 1.4554 1.4554 1.5124 1.5124 1.5507 1.5507 5.8106 5.8106 5.8503 5.8503 8.6077 8.6077 8.8804 8.8804 k = 0.5071 0.2474-0.2986 ( 3814 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1134 -42.1134 -42.0688 -42.0688 -15.5522 -15.5522 -15.3215 -15.3186 -14.8302 -14.8271 -14.6868 -14.6866 -4.0976 -4.0934 -3.7660 -3.7507 -3.6759 -3.6711 -3.1720 -3.1577 -3.0358 -3.0329 -0.6200 -0.6199 0.8303 0.8381 1.2593 1.2606 1.3873 1.3896 1.4527 1.4565 1.5095 1.5146 1.5490 1.5525 5.8108 5.8117 5.8491 5.8538 8.6057 8.6099 8.8781 8.8814 k = 0.5142 0.2338-0.2986 ( 3818 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1134 -42.1134 -42.0688 -42.0688 -15.5520 -15.5519 -15.3229 -15.3171 -14.8319 -14.8257 -14.6871 -14.6868 -4.0986 -4.0903 -3.7742 -3.7435 -3.6765 -3.6672 -3.1796 -3.1511 -3.0354 -3.0296 -0.6200 -0.6199 0.8240 0.8396 1.2584 1.2609 1.3841 1.3890 1.4484 1.4559 1.5058 1.5161 1.5477 1.5545 5.8122 5.8141 5.8501 5.8594 8.6040 8.6124 8.8746 8.8810 k = 0.5212 0.2203-0.2986 ( 3812 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1134 -42.1134 -42.0688 -42.0688 -15.5516 -15.5515 -15.3243 -15.3157 -14.8336 -14.8244 -14.6876 -14.6873 -4.0988 -4.0863 -3.7827 -3.7365 -3.6759 -3.6623 -3.1873 -3.1449 -3.0339 -3.0251 -0.6201 -0.6199 0.8160 0.8395 1.2574 1.2606 1.3797 1.3872 1.4427 1.4537 1.5011 1.5170 1.5468 1.5564 5.8151 5.8177 5.8534 5.8671 8.6025 8.6152 8.8700 8.8792 k = 0.5283 0.2067-0.2986 ( 3814 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1134 -42.1134 -42.0688 -42.0688 -15.5510 -15.5510 -15.3257 -15.3142 -14.8353 -14.8231 -14.6883 -14.6879 -4.0984 -4.0817 -3.7915 -3.7296 -3.6741 -3.6567 -3.1951 -3.1391 -3.0315 -3.0196 -0.6202 -0.6200 0.8064 0.8378 1.2564 1.2594 1.3741 1.3844 1.4359 1.4500 1.4954 1.5174 1.5463 1.5582 5.8193 5.8224 5.8590 5.8768 8.6011 8.6183 8.8646 8.8761 k = 0.5354 0.1932-0.2986 ( 3818 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1134 -42.1134 -42.0688 -42.0688 -15.5504 -15.5503 -15.3271 -15.3128 -14.8371 -14.8220 -14.6892 -14.6887 -4.0972 -4.0764 -3.8005 -3.7227 -3.6711 -3.6505 -3.2027 -3.1336 -3.0280 -3.0131 -0.6203 -0.6200 0.7953 0.8346 1.2551 1.2572 1.3672 1.3807 1.4282 1.4448 1.4887 1.5173 1.5461 1.5597 5.8249 5.8282 5.8668 5.8885 8.5998 8.6215 8.8585 8.8718 k = 0.5425 0.1796-0.2986 ( 3822 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1134 -42.1134 -42.0688 -42.0688 -15.5496 -15.5495 -15.3284 -15.3113 -14.8389 -14.8210 -14.6902 -14.6897 -4.0952 -4.0704 -3.8095 -3.7156 -3.6670 -3.6438 -3.2102 -3.1283 -3.0238 -3.0058 -0.6205 -0.6201 0.7826 0.8299 1.2536 1.2536 1.3595 1.3761 1.4200 1.4384 1.4811 1.5166 1.5464 1.5610 5.8316 5.8351 5.8767 5.9020 8.5983 8.6248 8.8520 8.8663 k = 0.5495 0.1660-0.2986 ( 3824 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1134 -42.1134 -42.0688 -42.0688 -15.5486 -15.5485 -15.3297 -15.3099 -14.8408 -14.8200 -14.6914 -14.6908 -4.0926 -4.0637 -3.8185 -3.7084 -3.6617 -3.6367 -3.2173 -3.1231 -3.0189 -2.9980 -0.6206 -0.6202 0.7684 0.8238 1.2484 1.2514 1.3510 1.3706 1.4117 1.4309 1.4725 1.5154 1.5469 1.5621 5.8396 5.8430 5.8885 5.9172 8.5965 8.6282 8.8454 8.8600 k = 0.5566 0.1525-0.2986 ( 3828 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1135 -42.0688 -42.0688 -15.5476 -15.5475 -15.3310 -15.3085 -14.8426 -14.8192 -14.6926 -14.6922 -4.0892 -4.0564 -3.8274 -3.7010 -3.6554 -3.6293 -3.2240 -3.1179 -3.0134 -2.9899 -0.6208 -0.6203 0.7528 0.8162 1.2411 1.2482 1.3423 1.3640 1.4038 1.4225 1.4633 1.5136 1.5477 1.5628 5.8487 5.8520 5.9022 5.9340 8.5943 8.6313 8.8390 8.8530 k = 0.5637 0.1389-0.2986 ( 3826 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1135 -42.0688 -42.0688 -15.5465 -15.5464 -15.3322 -15.3071 -14.8445 -14.8186 -14.6940 -14.6936 -4.0852 -4.0486 -3.8361 -3.6934 -3.6480 -3.6215 -3.2302 -3.1125 -3.0074 -2.9815 -0.6210 -0.6204 0.7360 0.8074 1.2318 1.2433 1.3340 1.3560 1.3967 1.4133 1.4536 1.5110 1.5487 1.5634 5.8589 5.8620 5.9176 5.9523 8.5914 8.6342 8.8330 8.8456 k = 0.5708 0.1254-0.2986 ( 3826 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1135 -42.0688 -42.0688 -15.5454 -15.5452 -15.3334 -15.3058 -14.8463 -14.8180 -14.6954 -14.6953 -4.0804 -4.0402 -3.8444 -3.6858 -3.6397 -3.6132 -3.2358 -3.1069 -3.0010 -2.9731 -0.6212 -0.6205 0.7179 0.7972 1.2202 1.2362 1.3267 1.3464 1.3906 1.4034 1.4438 1.5077 1.5499 1.5639 5.8702 5.8731 5.9343 5.9719 8.5878 8.6365 8.8278 8.8382 k = 0.5779 0.1118-0.2986 ( 3830 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1135 -42.0688 -42.0688 -15.5442 -15.5440 -15.3346 -15.3044 -14.8481 -14.8176 -14.6970 -14.6968 -4.0750 -4.0314 -3.8522 -3.6782 -3.6304 -3.6045 -3.2409 -3.1011 -2.9942 -2.9648 -0.6214 -0.6206 0.6987 0.7859 1.2066 1.2263 1.3208 1.3352 1.3849 1.3930 1.4345 1.5036 1.5512 1.5643 5.8823 5.8851 5.9524 5.9926 8.5833 8.6381 8.8235 8.8310 k = 0.5849 0.0982-0.2986 ( 3832 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1135 -42.0688 -42.0688 -15.5430 -15.5427 -15.3357 -15.3031 -14.8499 -14.8173 -14.6989 -14.6983 -4.0688 -4.0222 -3.8593 -3.6707 -3.6201 -3.5950 -3.2454 -3.0950 -2.9872 -2.9567 -0.6216 -0.6208 0.6784 0.7734 1.1909 1.2135 1.3164 1.3227 1.3789 1.3823 1.4265 1.4987 1.5527 1.5646 5.8954 5.8981 5.9716 6.0143 8.5776 8.6387 8.8203 8.8244 k = 0.5920 0.0847-0.2986 ( 3826 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1135 -42.0688 -42.0688 -15.5418 -15.5415 -15.3367 -15.3019 -14.8516 -14.8172 -14.7008 -14.6998 -4.0620 -4.0128 -3.8656 -3.6635 -3.6089 -3.5848 -3.2492 -3.0887 -2.9800 -2.9490 -0.6219 -0.6209 0.6573 0.7598 1.1734 1.1982 1.3089 1.3130 1.3713 1.3714 1.4208 1.4931 1.5542 1.5650 5.9092 5.9118 5.9917 6.0367 8.5710 8.6381 8.8183 8.8186 k = 0.5991 0.0711-0.2986 ( 3824 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1135 -42.0688 -42.0688 -15.5406 -15.5404 -15.3377 -15.3006 -14.8533 -14.8171 -14.7029 -14.7013 -4.0545 -4.0034 -3.8709 -3.6567 -3.5969 -3.5737 -3.2525 -3.0820 -2.9727 -2.9417 -0.6221 -0.6210 0.6353 0.7453 1.1544 1.1807 1.2942 1.3102 1.3607 1.3617 1.4177 1.4870 1.5557 1.5654 5.9237 5.9264 6.0125 6.0598 8.5633 8.6362 8.8140 8.8175 k = 0.6062 0.0575-0.2986 ( 3820 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1135 -42.0688 -42.0688 -15.5395 -15.5393 -15.3386 -15.2994 -14.8549 -14.8172 -14.7050 -14.7027 -4.0463 -3.9942 -3.8749 -3.6504 -3.5839 -3.5615 -3.2552 -3.0750 -2.9654 -2.9349 -0.6223 -0.6212 0.6127 0.7300 1.1339 1.1615 1.2786 1.3069 1.3502 1.3506 1.4169 1.4803 1.5573 1.5658 5.9389 5.9417 6.0339 6.0833 8.5546 8.6328 8.8105 8.8179 k = 0.6133 0.0440-0.2986 ( 3822 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1135 -42.0688 -42.0688 -15.5386 -15.5383 -15.3394 -15.2982 -14.8564 -14.8174 -14.7071 -14.7041 -4.0375 -3.9854 -3.8773 -3.6446 -3.5702 -3.5482 -3.2574 -3.0678 -2.9582 -2.9287 -0.6226 -0.6214 0.5895 0.7139 1.1123 1.1409 1.2623 1.3023 1.3375 1.3414 1.4178 1.4735 1.5588 1.5663 5.9547 5.9576 6.0557 6.1070 8.5450 8.6280 8.8083 8.8194 k = 0.6203 0.0304-0.2986 ( 3820 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0688 -42.0688 -15.5378 -15.5375 -15.3402 -15.2970 -14.8578 -14.8177 -14.7093 -14.7054 -4.0280 -3.9776 -3.8777 -3.6394 -3.5557 -3.5338 -3.2591 -3.0603 -2.9509 -2.9230 -0.6229 -0.6215 0.5658 0.6971 1.0896 1.1195 1.2453 1.2957 1.3240 1.3336 1.4197 1.4667 1.5603 1.5669 5.9709 5.9740 6.0778 6.1307 8.5347 8.6219 8.8072 8.8217 k = 0.6274 0.0169-0.2986 ( 3820 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0688 -42.0688 -15.5372 -15.5369 -15.3408 -15.2959 -14.8592 -14.8181 -14.7114 -14.7066 -4.0178 -3.9710 -3.8758 -3.6347 -3.5404 -3.5184 -3.2603 -3.0526 -2.9439 -2.9180 -0.6232 -0.6217 0.5418 0.6799 1.0660 1.0973 1.2277 1.2870 1.3100 1.3266 1.4225 1.4603 1.5616 1.5674 5.9875 5.9910 6.0999 6.1544 8.5239 8.6147 8.8070 8.8247 k = 0.6345 0.0033-0.2986 ( 3820 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0688 -42.0688 -15.5368 -15.5365 -15.3414 -15.2947 -14.8603 -14.8186 -14.7136 -14.7078 -4.0069 -3.9658 -3.8713 -3.6304 -3.5244 -3.5021 -3.2612 -3.0448 -2.9369 -2.9137 -0.6235 -0.6219 0.5175 0.6623 1.0418 1.0748 1.2097 1.2767 1.2959 1.3199 1.4257 1.4546 1.5629 1.5680 6.0045 6.0083 6.1220 6.1777 8.5127 8.6066 8.8075 8.8281 k = 0.6416-0.0103-0.2986 ( 3822 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0688 -42.0688 -15.5366 -15.5363 -15.3418 -15.2936 -14.8614 -14.8192 -14.7157 -14.7088 -3.9954 -3.9620 -3.8642 -3.6265 -3.5077 -3.4848 -3.2617 -3.0369 -2.9302 -2.9100 -0.6238 -0.6222 0.4931 0.6444 1.0169 1.0521 1.1913 1.2654 1.2818 1.3123 1.4291 1.4498 1.5640 1.5686 6.0217 6.0259 6.1438 6.2007 8.5013 8.5980 8.8084 8.8318 k = 0.6486-0.0238-0.2986 ( 3818 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0688 -42.0688 -15.5368 -15.5365 -15.3421 -15.2924 -14.8622 -14.8197 -14.7177 -14.7097 -3.9832 -3.9594 -3.8549 -3.6229 -3.4904 -3.4669 -3.2618 -3.0289 -2.9236 -2.9068 -0.6241 -0.6225 0.4687 0.6264 0.9916 1.0293 1.1725 1.2536 1.2678 1.3035 1.4327 1.4461 1.5649 1.5692 6.0391 6.0437 6.1654 6.2231 8.4899 8.5891 8.8093 8.8356 k = 0.6557-0.0374-0.2986 ( 3816 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0688 -42.0688 -15.5373 -15.5370 -15.3423 -15.2912 -14.8630 -14.8203 -14.7197 -14.7104 -3.9704 -3.9575 -3.8438 -3.6195 -3.4724 -3.4483 -3.2617 -3.0211 -2.9172 -2.9042 -0.6245 -0.6228 0.4443 0.6084 0.9659 1.0067 1.1536 1.2416 1.2541 1.2930 1.4362 1.4435 1.5657 1.5699 6.0566 6.0617 6.1865 6.2449 8.4785 8.5800 8.8102 8.8392 k = 0.6628-0.0509-0.2986 ( 3814 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0688 -42.0688 -15.5382 -15.5379 -15.3423 -15.2900 -14.8635 -14.8209 -14.7216 -14.7110 -3.9569 -3.9560 -3.8313 -3.6163 -3.4538 -3.4293 -3.2612 -3.0135 -2.9111 -2.9020 -0.6249 -0.6232 0.4200 0.5905 0.9399 0.9845 1.1345 1.2295 1.2408 1.2809 1.4396 1.4417 1.5662 1.5706 6.0742 6.0798 6.2071 6.2658 8.4672 8.5710 8.8106 8.8425 k = 0.3372-0.6460 0.0000 ( 3814 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0688 -42.0688 -15.5382 -15.5379 -15.3423 -15.2900 -14.8635 -14.8209 -14.7216 -14.7110 -3.9569 -3.9560 -3.8313 -3.6163 -3.4538 -3.4293 -3.2612 -3.0135 -2.9111 -2.9020 -0.6249 -0.6232 0.4200 0.5905 0.9399 0.9845 1.1345 1.2295 1.2408 1.2809 1.4396 1.4417 1.5662 1.5706 6.0742 6.0798 6.2071 6.2658 8.4672 8.5710 8.8106 8.8425 k = 0.3300-0.6323 0.0000 ( 3812 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0688 -42.0688 -15.5395 -15.5392 -15.3422 -15.2887 -14.8639 -14.8214 -14.7234 -14.7115 -3.9546 -3.9425 -3.8176 -3.6131 -3.4345 -3.4099 -3.2603 -3.0062 -2.9051 -2.9000 -0.6254 -0.6236 0.3956 0.5726 0.9135 0.9624 1.1151 1.2173 1.2276 1.2671 1.4405 1.4428 1.5666 1.5714 6.0919 6.0980 6.2273 6.2861 8.4561 8.5621 8.8105 8.8453 k = 0.3228-0.6186 0.0000 ( 3806 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0688 -42.0688 -15.5413 -15.5409 -15.3419 -15.2874 -14.8641 -14.8219 -14.7251 -14.7119 -3.9530 -3.9275 -3.8031 -3.6100 -3.4146 -3.3909 -3.2586 -2.9995 -2.8993 -2.8981 -0.6258 -0.6241 0.3716 0.5550 0.8870 0.9410 1.0958 1.2053 1.2151 1.2520 1.4398 1.4456 1.5668 1.5723 6.1096 6.1161 6.2467 6.3053 8.4453 8.5535 8.8096 8.8474 k = 0.3157-0.6048 0.0000 ( 3810 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0688 -42.0688 -15.5436 -15.5432 -15.3414 -15.2860 -14.8640 -14.8223 -14.7267 -14.7122 -3.9510 -3.9119 -3.7881 -3.6069 -3.3943 -3.3727 -3.2557 -2.9936 -2.8960 -2.8937 -0.6264 -0.6247 0.3480 0.5378 0.8605 0.9203 1.0767 1.1936 1.2030 1.2359 1.4391 1.4480 1.5668 1.5732 6.1270 6.1339 6.2654 6.3234 8.4349 8.5453 8.8077 8.8485 k = 0.3085-0.5911 0.0000 ( 3816 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1137 -42.1137 -42.0688 -42.0688 -15.5463 -15.5459 -15.3407 -15.2846 -14.8638 -14.8226 -14.7281 -14.7123 -3.9486 -3.8957 -3.7727 -3.6037 -3.3737 -3.3564 -3.2508 -2.9888 -2.8934 -2.8883 -0.6270 -0.6254 0.3248 0.5211 0.8342 0.9004 1.0579 1.1820 1.1916 1.2192 1.4382 1.4498 1.5666 1.5741 6.1442 6.1515 6.2832 6.3403 8.4250 8.5376 8.8047 8.8487 k = 0.3013-0.5773 0.0000 ( 3824 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1137 -42.1137 -42.0688 -42.0688 -15.5496 -15.5492 -15.3398 -15.2831 -14.8633 -14.8227 -14.7294 -14.7123 -3.9458 -3.8790 -3.7571 -3.6004 -3.3527 -3.3431 -3.2429 -2.9852 -2.8902 -2.8830 -0.6277 -0.6262 0.3021 0.5050 0.8081 0.8815 1.0394 1.1704 1.1808 1.2022 1.4371 1.4510 1.5661 1.5751 6.1611 6.1686 6.3002 6.3561 8.4155 8.5305 8.8006 8.8477 k = 0.2942-0.5636 0.0000 ( 3826 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1137 -42.1137 -42.0688 -42.0688 -15.5534 -15.5530 -15.3387 -15.2814 -14.8626 -14.8227 -14.7305 -14.7123 -3.9424 -3.8618 -3.7414 -3.5970 -3.3338 -3.3315 -3.2311 -2.9831 -2.8860 -2.8779 -0.6285 -0.6271 0.2801 0.4895 0.7825 0.8636 1.0214 1.1584 1.1708 1.1857 1.4354 1.4514 1.5654 1.5761 6.1775 6.1852 6.3163 6.3706 8.4066 8.5240 8.7951 8.8455 k = 0.2870-0.5498 0.0000 ( 3826 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1137 -42.1137 -42.0688 -42.0687 -15.5578 -15.5574 -15.3374 -15.2797 -14.8617 -14.8225 -14.7314 -14.7121 -3.9385 -3.8443 -3.7257 -3.5933 -3.3285 -3.3101 -3.2154 -2.9823 -2.8807 -2.8729 -0.6293 -0.6281 0.2587 0.4747 0.7573 0.8469 1.0040 1.1451 1.1614 1.1707 1.4332 1.4511 1.5644 1.5771 6.1936 6.2012 6.3316 6.3838 8.3983 8.5182 8.7883 8.8418 k = 0.2798-0.5361 0.0000 ( 3832 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1137 -42.1137 -42.0688 -42.0688 -15.5627 -15.5622 -15.3360 -15.2779 -14.8606 -14.8221 -14.7322 -14.7118 -3.9340 -3.8265 -3.7102 -3.5894 -3.3267 -3.2886 -3.1965 -2.9826 -2.8746 -2.8680 -0.6302 -0.6292 0.2381 0.4606 0.7327 0.8314 0.9872 1.1299 1.1529 1.1582 1.4302 1.4500 1.5632 1.5780 6.2090 6.2165 6.3459 6.3957 8.3904 8.5129 8.7801 8.8368 k = 0.2726-0.5223 0.0000 ( 3836 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1137 -42.1137 -42.0688 -42.0688 -15.5681 -15.5676 -15.3343 -15.2761 -14.8593 -14.8215 -14.7327 -14.7114 -3.9291 -3.8085 -3.6951 -3.5851 -3.3275 -3.2673 -3.1753 -2.9839 -2.8676 -2.8632 -0.6312 -0.6304 0.2183 0.4472 0.7088 0.8170 0.9712 1.1127 1.1452 1.1481 1.4265 1.4480 1.5616 1.5787 6.2239 6.2309 6.3595 6.4065 8.3832 8.5084 8.7704 8.8303 k = 0.2655-0.5086 0.0000 ( 3832 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1137 -42.1137 -42.0688 -42.0687 -15.5740 -15.5735 -15.3325 -15.2741 -14.8578 -14.8207 -14.7331 -14.7110 -3.9236 -3.7907 -3.6804 -3.5803 -3.3302 -3.2461 -3.1525 -2.9857 -2.8598 -2.8584 -0.6323 -0.6318 0.1993 0.4345 0.6857 0.8040 0.9560 1.0945 1.1382 1.1399 1.4221 1.4451 1.5597 1.5791 6.2381 6.2445 6.3723 6.4160 8.3765 8.5045 8.7593 8.8223 k = 0.2583-0.4948 0.0000 ( 3830 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1137 -42.1137 -42.0688 -42.0687 -15.5804 -15.5799 -15.3305 -15.2721 -14.8560 -14.8197 -14.7334 -14.7105 -3.9177 -3.7731 -3.6663 -3.5751 -3.3341 -3.2251 -3.1288 -2.9877 -2.8537 -2.8516 -0.6335 -0.6333 0.1812 0.4225 0.6635 0.7922 0.9417 1.0758 1.1322 1.1330 1.4169 1.4413 1.5574 1.5792 6.2515 6.2570 6.3843 6.4244 8.3704 8.5013 8.7467 8.8128 k = 0.2511-0.4811 0.0000 ( 3832 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1137 -42.1137 -42.0688 -42.0687 -15.5873 -15.5868 -15.3283 -15.2700 -14.8541 -14.8185 -14.7334 -14.7099 -3.9114 -3.7562 -3.6529 -3.5692 -3.3387 -3.2047 -3.1045 -2.9895 -2.8490 -2.8429 -0.6349 -0.6347 0.1640 0.4112 0.6423 0.7817 0.9283 1.0570 1.1269 1.1274 1.4109 1.4366 1.5546 1.5789 6.2640 6.2683 6.3957 6.4318 8.3649 8.4987 8.7327 8.8018 k = 0.2439-0.4674 0.0000 ( 3832 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1137 -42.1137 -42.0688 -42.0687 -15.5946 -15.5941 -15.3260 -15.2679 -14.8520 -14.8171 -14.7333 -14.7093 -3.9047 -3.7401 -3.6404 -3.5627 -3.3436 -3.1849 -3.0799 -2.9906 -2.8444 -2.8340 -0.6366 -0.6361 0.1479 0.4006 0.6223 0.7725 0.9159 1.0383 1.1225 1.1227 1.4042 1.4310 1.5513 1.5781 6.2755 6.2784 6.4065 6.4382 8.3598 8.4967 8.7174 8.7894 k = 0.2368-0.4536 0.0000 ( 3828 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1137 -42.1136 -42.0687 -42.0687 -15.6023 -15.6018 -15.3236 -15.2657 -14.8497 -14.8156 -14.7331 -14.7086 -3.8977 -3.7253 -3.6291 -3.5556 -3.3483 -3.1658 -3.0552 -2.9907 -2.8398 -2.8248 -0.6385 -0.6375 0.1329 0.3907 0.6035 0.7645 0.9046 1.0200 1.1190 1.1190 1.3969 1.4245 1.5475 1.5766 6.2859 6.2873 6.4167 6.4438 8.3552 8.4953 8.7008 8.7757 k = 0.2296-0.4399 0.0000 ( 3826 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0687 -42.0687 -15.6103 -15.6099 -15.3210 -15.2635 -14.8472 -14.8138 -14.7326 -14.7079 -3.8905 -3.7120 -3.6190 -3.5483 -3.3521 -3.1477 -3.0306 -2.9894 -2.8351 -2.8154 -0.6404 -0.6390 0.1191 0.3813 0.5861 0.7578 0.8943 1.0020 1.1161 1.1163 1.3888 1.4172 1.5430 1.5744 6.2947 6.2950 6.4265 6.4487 8.3512 8.4944 8.6831 8.7607 k = 0.2224-0.4261 0.0000 ( 3826 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0687 -42.0687 -15.6187 -15.6183 -15.3183 -15.2613 -14.8446 -14.8118 -14.7320 -14.7071 -3.8832 -3.7004 -3.6103 -3.5412 -3.3542 -3.1307 -3.0062 -2.9865 -2.8305 -2.8059 -0.6425 -0.6407 0.1064 0.3726 0.5701 0.7522 0.8852 0.9846 1.1142 1.1144 1.3801 1.4090 1.5378 1.5715 6.3007 6.3027 6.4357 6.4531 8.3475 8.4939 8.6645 8.7447 k = 0.2152-0.4124 0.0000 ( 3820 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0687 -42.0686 -15.6274 -15.6270 -15.3155 -15.2591 -14.8418 -14.8097 -14.7313 -14.7064 -3.8757 -3.6906 -3.6032 -3.5351 -3.3538 -3.1147 -2.9823 -2.9818 -2.8257 -2.7963 -0.6447 -0.6424 0.0950 0.3644 0.5557 0.7477 0.8771 0.9679 1.1131 1.1134 1.3709 1.4001 1.5320 1.5678 6.3053 6.3089 6.4446 6.4572 8.3443 8.4938 8.6451 8.7277 k = 0.2081-0.3986 0.0000 ( 3824 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0687 -42.0686 -15.6363 -15.6359 -15.3127 -15.2569 -14.8390 -14.8075 -14.7305 -14.7056 -3.8682 -3.6827 -3.5977 -3.5309 -3.3498 -3.0996 -2.9753 -2.9591 -2.8208 -2.7866 -0.6470 -0.6443 0.0849 0.3568 0.5429 0.7442 0.8701 0.9519 1.1128 1.1131 1.3611 1.3903 1.5253 1.5631 6.3084 6.3134 6.4529 6.4610 8.3414 8.4939 8.6253 8.7100 k = 0.2009-0.3849 0.0000 ( 3822 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1135 -42.0687 -42.0686 -15.6453 -15.6450 -15.3098 -15.2547 -14.8360 -14.8051 -14.7295 -14.7048 -3.8606 -3.6765 -3.5941 -3.5295 -3.3416 -3.0853 -2.9671 -2.9367 -2.8156 -2.7768 -0.6494 -0.6462 0.0762 0.3496 0.5318 0.7416 0.8642 0.9367 1.1133 1.1135 1.3507 1.3798 1.5179 1.5575 6.3102 6.3162 6.4608 6.4648 8.3388 8.4941 8.6055 8.6918 k = 0.1937-0.3711 0.0000 ( 3824 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1135 -42.1135 -42.0687 -42.0686 -15.6546 -15.6543 -15.3068 -15.2526 -14.8329 -14.8027 -14.7284 -14.7040 -3.8531 -3.6718 -3.5924 -3.5311 -3.3290 -3.0713 -2.9576 -2.9154 -2.8100 -2.7668 -0.6520 -0.6483 0.0689 0.3430 0.5225 0.7399 0.8593 0.9224 1.1145 1.1147 1.3399 1.3686 1.5096 1.5509 6.3106 6.3172 6.4681 6.4686 8.3365 8.4938 8.5862 8.6733 k = 0.1865-0.3574 0.0000 ( 3820 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1135 -42.1135 -42.0686 -42.0686 -15.6639 -15.6636 -15.3037 -15.2505 -14.8297 -14.8001 -14.7272 -14.7032 -3.8458 -3.6685 -3.5923 -3.5355 -3.3122 -3.0574 -2.9472 -2.8957 -2.8035 -2.7567 -0.6546 -0.6504 0.0631 0.3369 0.5150 0.7390 0.8553 0.9090 1.1163 1.1165 1.3287 1.3566 1.5005 1.5432 6.3097 6.3164 6.4725 6.4748 8.3345 8.4925 8.5683 8.6547 k = 0.1794-0.3436 0.0000 ( 3824 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1135 -42.1135 -42.0686 -42.0686 -15.6733 -15.6731 -15.3007 -15.2485 -14.8265 -14.7975 -14.7259 -14.7024 -3.8386 -3.6666 -3.5941 -3.5422 -3.2920 -3.0431 -2.9363 -2.8780 -2.7959 -2.7465 -0.6573 -0.6527 0.0587 0.3313 0.5094 0.7387 0.8524 0.8968 1.1189 1.1190 1.3171 1.3440 1.4906 1.5345 6.3076 6.3140 6.4764 6.4810 8.3326 8.4889 8.5533 8.6363 k = 0.1722-0.3299 0.0000 ( 3824 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1134 -42.1134 -42.0686 -42.0686 -15.6827 -15.6825 -15.2976 -15.2465 -14.8232 -14.7948 -14.7246 -14.7016 -3.8315 -3.6658 -3.5974 -3.5506 -3.2691 -3.0283 -2.9253 -2.8629 -2.7865 -2.7361 -0.6601 -0.6551 0.0559 0.3263 0.5057 0.7389 0.8503 0.8856 1.1220 1.1220 1.3052 1.3308 1.4799 1.5248 6.3044 6.3100 6.4803 6.4865 8.3309 8.4816 8.5429 8.6184 k = 0.1650-0.3162 0.0000 ( 3826 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1134 -42.1134 -42.0686 -42.0686 -15.6921 -15.6920 -15.2944 -15.2446 -14.8198 -14.7921 -14.7232 -14.7009 -3.8248 -3.6661 -3.6022 -3.5600 -3.2441 -3.0129 -2.9144 -2.8507 -2.7753 -2.7256 -0.6630 -0.6576 0.0547 0.3218 0.5038 0.7394 0.8490 0.8757 1.1256 1.1256 1.2930 1.3169 1.4684 1.5139 6.3001 6.3046 6.4840 6.4913 8.3294 8.4703 8.5375 8.6013 k = 0.1578-0.3024 0.0000 ( 3830 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1134 -42.1134 -42.0686 -42.0686 -15.7015 -15.7013 -15.2913 -15.2429 -14.8165 -14.7894 -14.7217 -14.7001 -3.8184 -3.6676 -3.6081 -3.5700 -3.2176 -2.9970 -2.9038 -2.8412 -2.7622 -2.7150 -0.6660 -0.6602 0.0549 0.3179 0.5038 0.7403 0.8484 0.8670 1.1296 1.1297 1.2805 1.3024 1.4562 1.5020 6.2949 6.2980 6.4876 6.4954 8.3279 8.4563 8.5361 8.5852 k = 0.1507-0.2887 0.0000 ( 3834 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1134 -42.1134 -42.0686 -42.0685 -15.7107 -15.7106 -15.2882 -15.2412 -14.8131 -14.7867 -14.7202 -14.6994 -3.8123 -3.6702 -3.6151 -3.5801 -3.1901 -2.9806 -2.8936 -2.8342 -2.7478 -2.7043 -0.6691 -0.6630 0.0568 0.3146 0.5057 0.7412 0.8485 0.8597 1.1341 1.1343 1.2679 1.2874 1.4432 1.4890 6.2889 6.2904 6.4909 6.4988 8.3265 8.4415 8.5371 8.5703 k = 0.1435-0.2749 0.0000 ( 3836 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1134 -42.1134 -42.0686 -42.0685 -15.7198 -15.7197 -15.2851 -15.2396 -14.8097 -14.7840 -14.7187 -14.6988 -3.8067 -3.6740 -3.6228 -3.5899 -3.1619 -2.9639 -2.8838 -2.8288 -2.7327 -2.6936 -0.6722 -0.6659 0.0602 0.3118 0.5093 0.7422 0.8492 0.8539 1.1388 1.1391 1.2551 1.2719 1.4296 1.4749 6.2819 6.2822 6.4938 6.5014 8.3252 8.4271 8.5394 8.5570 k = 0.1363-0.2612 0.0000 ( 3834 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1133 -42.1133 -42.0686 -42.0685 -15.7287 -15.7286 -15.2820 -15.2382 -14.8063 -14.7814 -14.7171 -14.6981 -3.8015 -3.6790 -3.6310 -3.5990 -3.1332 -2.9473 -2.8743 -2.8247 -2.7173 -2.6828 -0.6755 -0.6688 0.0650 0.3097 0.5148 0.7430 0.8495 0.8504 1.1438 1.1443 1.2423 1.2558 1.4154 1.4598 6.2727 6.2748 6.4963 6.5033 8.3241 8.4137 8.5426 8.5453 k = 0.1291-0.2474 0.0000 ( 3828 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1133 -42.1133 -42.0685 -42.0685 -15.7373 -15.7373 -15.2789 -15.2368 -14.8029 -14.7788 -14.7156 -14.6975 -3.7968 -3.6852 -3.6395 -3.6073 -3.1046 -2.9311 -2.8648 -2.8215 -2.7021 -2.6721 -0.6788 -0.6719 0.0714 0.3082 0.5221 0.7436 0.8466 0.8519 1.1489 1.1496 1.2294 1.2395 1.4008 1.4438 6.2630 6.2669 6.4983 6.5045 8.3232 8.4020 8.5355 8.5463 k = 0.1220-0.2337 0.0000 ( 3826 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1133 -42.1133 -42.0685 -42.0685 -15.7458 -15.7457 -15.2759 -15.2356 -14.7995 -14.7763 -14.7140 -14.6969 -3.7926 -3.6925 -3.6480 -3.6147 -3.0761 -2.9160 -2.8550 -2.8188 -2.6873 -2.6615 -0.6821 -0.6751 0.0792 0.3072 0.5310 0.7440 0.8451 0.8538 1.1540 1.1550 1.2167 1.2228 1.3858 1.4268 6.2530 6.2585 6.4999 6.5050 8.3227 8.3921 8.5275 8.5503 k = 0.1148-0.2199 0.0000 ( 3828 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1132 -42.1132 -42.0685 -42.0685 -15.7539 -15.7539 -15.2729 -15.2345 -14.7962 -14.7740 -14.7125 -14.6964 -3.7892 -3.7007 -3.6563 -3.6212 -3.0480 -2.9023 -2.8446 -2.8166 -2.6730 -2.6511 -0.6855 -0.6784 0.0883 0.3067 0.5415 0.7442 0.8449 0.8558 1.1586 1.1602 1.2043 1.2063 1.3704 1.4090 6.2427 6.2498 6.5009 6.5048 8.3226 8.3842 8.5214 8.5545 k = 0.1076-0.2062 0.0000 ( 3830 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1132 -42.1132 -42.0685 -42.0685 -15.7617 -15.7617 -15.2700 -15.2336 -14.7930 -14.7717 -14.7110 -14.6960 -3.7864 -3.7097 -3.6642 -3.6269 -3.0207 -2.8907 -2.8333 -2.8146 -2.6593 -2.6410 -0.6889 -0.6818 0.0986 0.3066 0.5536 0.7442 0.8460 0.8581 1.1614 1.1646 1.1912 1.1927 1.3549 1.3905 6.2324 6.2408 6.5013 6.5040 8.3231 8.3787 8.5173 8.5586 k = 0.1004-0.1924 0.0000 ( 3826 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1132 -42.1132 -42.0685 -42.0684 -15.7692 -15.7691 -15.2671 -15.2328 -14.7898 -14.7696 -14.7096 -14.6956 -3.7845 -3.7190 -3.6713 -3.6319 -2.9943 -2.8812 -2.8209 -2.8127 -2.6462 -2.6310 -0.6923 -0.6852 0.1101 0.3070 0.5672 0.7441 0.8481 0.8603 1.1574 1.1655 1.1827 1.1847 1.3393 1.3714 6.2221 6.2317 6.5012 6.5028 8.3244 8.3754 8.5150 8.5626 k = 0.0933-0.1787 0.0000 ( 3822 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1132 -42.1132 -42.0685 -42.0684 -15.7762 -15.7762 -15.2643 -15.2321 -14.7868 -14.7676 -14.7082 -14.6952 -3.7835 -3.7285 -3.6775 -3.6365 -2.9692 -2.8737 -2.8107 -2.8079 -2.6339 -2.6214 -0.6956 -0.6886 0.1226 0.3077 0.5822 0.7442 0.8512 0.8625 1.1439 1.1587 1.1834 1.1843 1.3239 1.3518 6.2121 6.2226 6.5007 6.5011 8.3267 8.3746 8.5146 8.5662 k = 0.0861-0.1649 0.0000 ( 3818 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1131 -42.1131 -42.0685 -42.0684 -15.7829 -15.7828 -15.2616 -15.2316 -14.7838 -14.7657 -14.7068 -14.6949 -3.7834 -3.7378 -3.6826 -3.6406 -2.9456 -2.8678 -2.8084 -2.7948 -2.6224 -2.6121 -0.6989 -0.6921 0.1359 0.3086 0.5985 0.7444 0.8549 0.8647 1.1270 1.1475 1.1872 1.1881 1.3086 1.3321 6.2024 6.2135 6.4991 6.4997 8.3299 8.3760 8.5160 8.5692 k = 0.0789-0.1512 0.0000 ( 3820 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1131 -42.1131 -42.0685 -42.0684 -15.7891 -15.7890 -15.2590 -15.2312 -14.7809 -14.7641 -14.7055 -14.6947 -3.7842 -3.7470 -3.6866 -3.6445 -2.9240 -2.8631 -2.8056 -2.7821 -2.6116 -2.6031 -0.7021 -0.6955 0.1499 0.3096 0.6158 0.7448 0.8592 0.8666 1.1091 1.1351 1.1917 1.1929 1.2937 1.3123 6.1932 6.2046 6.4968 6.4983 8.3342 8.3795 8.5191 8.5713 k = 0.0717-0.1375 0.0000 ( 3816 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1131 -42.1131 -42.0684 -42.0684 -15.7949 -15.7948 -15.2564 -15.2310 -14.7781 -14.7626 -14.7043 -14.6945 -3.7858 -3.7557 -3.6894 -3.6482 -2.9048 -2.8594 -2.8018 -2.7700 -2.6015 -2.5946 -0.7051 -0.6988 0.1643 0.3106 0.6342 0.7457 0.8639 0.8682 1.0913 1.1222 1.1963 1.1977 1.2793 1.2928 6.1845 6.1960 6.4943 6.4967 8.3395 8.3850 8.5239 8.5723 k = 0.0646-0.1237 0.0000 ( 3816 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1131 -42.1131 -42.0684 -42.0684 -15.8001 -15.8001 -15.2539 -15.2309 -14.7755 -14.7613 -14.7031 -14.6943 -3.7881 -3.7639 -3.6912 -3.6518 -2.8885 -2.8565 -2.7968 -2.7591 -2.5922 -2.5865 -0.7080 -0.7021 0.1791 0.3115 0.6532 0.7470 0.8688 0.8695 1.0737 1.1089 1.2005 1.2024 1.2656 1.2739 6.1764 6.1877 6.4918 6.4947 8.3459 8.3920 8.5303 8.5721 k = 0.0574-0.1100 0.0000 ( 3812 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8049 -15.8048 -15.2516 -15.2309 -14.7730 -14.7602 -14.7020 -14.6943 -3.7908 -3.7715 -3.6919 -3.6552 -2.8753 -2.8540 -2.7903 -2.7494 -2.5836 -2.5790 -0.7106 -0.7052 0.1939 0.3121 0.6728 0.7487 0.8704 0.8739 1.0567 1.0951 1.2043 1.2068 1.2528 1.2561 6.1691 6.1799 6.4894 6.4927 8.3532 8.4001 8.5382 8.5712 k = 0.0502-0.0962 0.0000 ( 3806 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8092 -15.8091 -15.2493 -15.2312 -14.7707 -14.7594 -14.7010 -14.6943 -3.7937 -3.7784 -3.6918 -3.6585 -2.8654 -2.8521 -2.7823 -2.7412 -2.5759 -2.5720 -0.7131 -0.7081 0.2086 0.3123 0.6925 0.7511 0.8710 0.8789 1.0407 1.0807 1.2072 1.2108 1.2397 1.2414 6.1625 6.1726 6.4871 6.4905 8.3612 8.4086 8.5475 8.5703 k = 0.0430-0.0825 0.0000 ( 3808 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8129 -15.8128 -15.2471 -15.2315 -14.7685 -14.7587 -14.7000 -14.6943 -3.7965 -3.7845 -3.6911 -3.6617 -2.8584 -2.8505 -2.7733 -2.7345 -2.5691 -2.5658 -0.7152 -0.7108 0.2229 0.3120 0.7118 0.7540 0.8714 0.8837 1.0261 1.0657 1.2085 1.2140 1.2255 1.2321 6.1569 6.1660 6.4850 6.4884 8.3697 8.4166 8.5579 8.5705 k = 0.0359-0.0687 0.0000 ( 3813 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8160 -15.8160 -15.2451 -15.2320 -14.7666 -14.7583 -14.6992 -14.6944 -3.7992 -3.7899 -3.6899 -3.6648 -2.8537 -2.8492 -2.7638 -2.7294 -2.5631 -2.5604 -0.7170 -0.7132 0.2366 0.3109 0.7300 0.7574 0.8718 0.8881 1.0131 1.0501 1.2069 1.2112 1.2190 1.2266 6.1522 6.1601 6.4831 6.4863 8.3785 8.4231 8.5690 8.5726 k = 0.0287-0.0550 0.0000 ( 3815 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8186 -15.8186 -15.2432 -15.2327 -14.7648 -14.7581 -14.6984 -14.6946 -3.8015 -3.7945 -3.6883 -3.6679 -2.8506 -2.8482 -2.7547 -2.7260 -2.5580 -2.5558 -0.7184 -0.7153 0.2495 0.3089 0.7463 0.7613 0.8728 0.8918 1.0021 1.0344 1.2018 1.2021 1.2210 1.2250 6.1484 6.1550 6.4816 6.4843 8.3874 8.4273 8.5770 8.5802 k = 0.0215-0.0412 0.0000 ( 3813 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8207 -15.8206 -15.2414 -15.2335 -14.7632 -14.7582 -14.6977 -14.6949 -3.8032 -3.7982 -3.6863 -3.6709 -2.8486 -2.8474 -2.7462 -2.7242 -2.5539 -2.5523 -0.7195 -0.7171 0.2613 0.3059 0.7596 0.7654 0.8751 0.8943 0.9936 1.0193 1.1944 1.1964 1.2230 1.2252 6.1457 6.1507 6.4805 6.4827 8.3961 8.4288 8.5835 8.5903 k = 0.0143-0.0275 0.0000 ( 3809 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8221 -15.8221 -15.2398 -15.2345 -14.7618 -14.7584 -14.6970 -14.6951 -3.8043 -3.8011 -3.6841 -3.6737 -2.8473 -2.8468 -2.7389 -2.7240 -2.5509 -2.5498 -0.7201 -0.7185 0.2721 0.3017 0.7687 0.7694 0.8791 0.8951 0.9880 1.0056 1.1894 1.1915 1.2246 1.2258 6.1440 6.1474 6.4798 6.4813 8.4045 8.4276 8.5909 8.5980 k = 0.0072-0.0137 0.0000 ( 3811 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8230 -15.8230 -15.2382 -15.2356 -14.7606 -14.7589 -14.6964 -14.6955 -3.8047 -3.8031 -3.6818 -3.6765 -2.8467 -2.8465 -2.7329 -2.7254 -2.5489 -2.5483 -0.7204 -0.7196 0.2815 0.2963 0.7727 0.7735 0.8845 0.8937 0.9860 0.9948 1.1868 1.1880 1.2256 1.2262 6.1433 6.1450 6.4795 6.4803 8.4121 8.4241 8.5976 8.6021 k = 0.0000 0.0000 0.0000 ( 3817 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8233 -15.8233 -15.2369 -15.2369 -14.7597 -14.7597 -14.6960 -14.6960 -3.8043 -3.8043 -3.6792 -3.6792 -2.8465 -2.8465 -2.7284 -2.7284 -2.5481 -2.5481 -0.7202 -0.7202 0.2896 0.2896 0.7744 0.7744 0.8899 0.8899 0.9881 0.9881 1.1863 1.1863 1.2262 1.2262 6.1436 6.1436 6.4797 6.4797 8.4188 8.4188 8.6018 8.6018 k = 0.0000 0.0000 0.0000 ( 3817 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8233 -15.8233 -15.2369 -15.2369 -14.7597 -14.7597 -14.6960 -14.6960 -3.8043 -3.8043 -3.6792 -3.6792 -2.8465 -2.8465 -2.7284 -2.7284 -2.5481 -2.5481 -0.7202 -0.7202 0.2896 0.2896 0.7744 0.7744 0.8899 0.8899 0.9881 0.9881 1.1863 1.1863 1.2262 1.2262 6.1436 6.1436 6.4797 6.4797 8.4188 8.4188 8.6018 8.6018 k = 0.0122-0.0085-0.0036 ( 3816 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8232 -15.8228 -15.2380 -15.2358 -14.7606 -14.7589 -14.6964 -14.6956 -3.8055 -3.8027 -3.6818 -3.6767 -2.8483 -2.8452 -2.7330 -2.7253 -2.5498 -2.5478 -0.7205 -0.7197 0.2830 0.2958 0.7729 0.7745 0.8851 0.8941 0.9861 0.9938 1.1866 1.1878 1.2258 1.2263 6.1432 6.1446 6.4793 6.4799 8.4129 8.4232 8.5964 8.6039 k = 0.0244-0.0170-0.0073 ( 3810 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8226 -15.8217 -15.2393 -15.2348 -14.7617 -14.7584 -14.6969 -14.6953 -3.8063 -3.8008 -3.6844 -3.6743 -2.8507 -2.8445 -2.7393 -2.7238 -2.5529 -2.5488 -0.7205 -0.7189 0.2760 0.3017 0.7701 0.7730 0.8806 0.8972 0.9875 1.0029 1.1885 1.1907 1.2252 1.2263 6.1432 6.1462 6.4788 6.4801 8.4060 8.4259 8.5889 8.6022 k = 0.0366-0.0255-0.0109 ( 3814 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8214 -15.8201 -15.2408 -15.2340 -14.7630 -14.7580 -14.6974 -14.6950 -3.8068 -3.7986 -3.6869 -3.6720 -2.8538 -2.8446 -2.7471 -2.7239 -2.5573 -2.5511 -0.7203 -0.7180 0.2688 0.3071 0.7655 0.7706 0.8770 0.8993 0.9920 1.0147 1.1923 1.1949 1.2244 1.2262 6.1439 6.1483 6.4781 6.4800 8.3981 8.4266 8.5806 8.5972 k = 0.0488-0.0340-0.0146 ( 3813 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8196 -15.8179 -15.2423 -15.2334 -14.7644 -14.7579 -14.6980 -14.6948 -3.8068 -3.7962 -3.6894 -3.6697 -2.8577 -2.8453 -2.7564 -2.7255 -2.5629 -2.5545 -0.7199 -0.7168 0.2613 0.3121 0.7584 0.7684 0.8748 0.9009 0.9990 1.0285 1.1980 1.2001 1.2234 1.2263 6.1451 6.1510 6.4773 6.4798 8.3896 8.4252 8.5727 8.5903 k = 0.0610-0.0425-0.0182 ( 3811 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8172 -15.8151 -15.2439 -15.2328 -14.7660 -14.7580 -14.6987 -14.6947 -3.8065 -3.7935 -3.6916 -3.6676 -2.8626 -2.8469 -2.7669 -2.7289 -2.5696 -2.5586 -0.7193 -0.7153 0.2536 0.3165 0.7490 0.7667 0.8738 0.9022 1.0084 1.0432 1.2050 1.2059 1.2223 1.2273 6.1469 6.1541 6.4763 6.4793 8.3809 8.4220 8.5656 8.5834 k = 0.0732-0.0510-0.0219 ( 3812 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8144 -15.8118 -15.2456 -15.2324 -14.7678 -14.7583 -14.6994 -14.6947 -3.8059 -3.7908 -3.6936 -3.6656 -2.8690 -2.8494 -2.7781 -2.7340 -2.5772 -2.5634 -0.7184 -0.7137 0.2458 0.3205 0.7382 0.7658 0.8736 0.9038 1.0196 1.0584 1.2096 1.2143 1.2217 1.2302 6.1492 6.1577 6.4752 6.4787 8.3723 8.4174 8.5590 8.5782 k = 0.0854-0.0595-0.0255 ( 3809 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8110 -15.8079 -15.2475 -15.2322 -14.7697 -14.7587 -14.7001 -14.6947 -3.8050 -3.7881 -3.6952 -3.6637 -2.8775 -2.8528 -2.7896 -2.7408 -2.5854 -2.5684 -0.7172 -0.7118 0.2378 0.3239 0.7265 0.7654 0.8737 0.9059 1.0324 1.0736 1.2118 1.2176 1.2283 1.2363 6.1519 6.1618 6.4739 6.4778 8.3642 8.4120 8.5528 8.5756 k = 0.0976-0.0680-0.0291 ( 3810 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8070 -15.8035 -15.2494 -15.2321 -14.7717 -14.7594 -14.7009 -14.6948 -3.8040 -3.7853 -3.6962 -3.6619 -2.8891 -2.8572 -2.8005 -2.7494 -2.5940 -2.5736 -0.7159 -0.7097 0.2298 0.3267 0.7146 0.7657 0.8741 0.9085 1.0465 1.0884 1.2121 1.2165 1.2407 1.2452 6.1552 6.1663 6.4724 6.4767 8.3569 8.4064 8.5473 8.5753 k = 0.1098-0.0765-0.0328 ( 3812 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8026 -15.7986 -15.2513 -15.2321 -14.7738 -14.7603 -14.7018 -14.6950 -3.8030 -3.7827 -3.6966 -3.6602 -2.9044 -2.8623 -2.8106 -2.7595 -2.6026 -2.5789 -0.7143 -0.7074 0.2218 0.3290 0.7026 0.7665 0.8746 0.9117 1.0615 1.1027 1.2116 1.2152 1.2539 1.2569 6.1590 6.1712 6.4706 6.4754 8.3508 8.4013 8.5429 8.5768 k = 0.1220-0.0850-0.0364 ( 3812 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1131 -42.1130 -42.0684 -42.0684 -15.7977 -15.7933 -15.2534 -15.2323 -14.7760 -14.7614 -14.7027 -14.6953 -3.8023 -3.7800 -3.6962 -3.6586 -2.9237 -2.8680 -2.8199 -2.7708 -2.6110 -2.5841 -0.7126 -0.7049 0.2139 0.3306 0.6910 0.7676 0.8755 0.9156 1.0768 1.1163 1.2107 1.2143 1.2661 1.2718 6.1631 6.1764 6.4685 6.4740 8.3462 8.3971 8.5399 8.5795 k = 0.1341-0.0935-0.0401 ( 3815 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1131 -42.1131 -42.0684 -42.0684 -15.7923 -15.7874 -15.2555 -15.2327 -14.7783 -14.7627 -14.7036 -14.6956 -3.8020 -3.7771 -3.6949 -3.6570 -2.9466 -2.8745 -2.8293 -2.7823 -2.6191 -2.5893 -0.7106 -0.7023 0.2061 0.3317 0.6799 0.7690 0.8766 0.9200 1.0920 1.1290 1.2101 1.2142 1.2784 1.2881 6.1676 6.1819 6.4661 6.4723 8.3434 8.3940 8.5385 8.5830 k = 0.1463-0.1020-0.0437 ( 3822 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1131 -42.1131 -42.0685 -42.0684 -15.7865 -15.7811 -15.2577 -15.2332 -14.7807 -14.7642 -14.7046 -14.6960 -3.8024 -3.7740 -3.6928 -3.6555 -2.9725 -2.8824 -2.8395 -2.7929 -2.6268 -2.5944 -0.7085 -0.6994 0.1986 0.3321 0.6693 0.7704 0.8783 0.9251 1.1062 1.1404 1.2103 1.2155 1.2911 1.3050 6.1725 6.1876 6.4633 6.4705 8.3424 8.3922 8.5387 8.5871 k = 0.1585-0.1105-0.0473 ( 3824 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1131 -42.1131 -42.0685 -42.0684 -15.7802 -15.7744 -15.2600 -15.2339 -14.7831 -14.7658 -14.7057 -14.6965 -3.8038 -3.7705 -3.6898 -3.6540 -3.0007 -2.8927 -2.8505 -2.8018 -2.6341 -2.5995 -0.7063 -0.6964 0.1913 0.3319 0.6595 0.7716 0.8806 0.9308 1.1185 1.1498 1.2122 1.2190 1.3042 1.3219 6.1777 6.1935 6.4603 6.4685 8.3435 8.3918 8.5405 8.5919 k = 0.1707-0.1190-0.0510 ( 3826 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1132 -42.1131 -42.0685 -42.0685 -15.7736 -15.7673 -15.2623 -15.2347 -14.7856 -14.7676 -14.7068 -14.6971 -3.8061 -3.7664 -3.6860 -3.6525 -3.0307 -2.9066 -2.8611 -2.8089 -2.6409 -2.6045 -0.7039 -0.6933 0.1844 0.3312 0.6504 0.7726 0.8835 0.9370 1.1279 1.1567 1.2168 1.2254 1.3173 1.3388 6.1830 6.1996 6.4570 6.4664 8.3464 8.3929 8.5434 8.5974 k = 0.1829-0.1275-0.0546 ( 3827 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1132 -42.1132 -42.0685 -42.0685 -15.7666 -15.7598 -15.2647 -15.2357 -14.7882 -14.7696 -14.7079 -14.6978 -3.8092 -3.7619 -3.6817 -3.6509 -3.0620 -2.9249 -2.8701 -2.8144 -2.6474 -2.6096 -0.7014 -0.6901 0.1779 0.3298 0.6422 0.7732 0.8871 0.9438 1.1339 1.1605 1.2247 1.2349 1.3305 1.3552 6.1886 6.2058 6.4534 6.4641 8.3510 8.3956 8.5472 8.6041 k = 0.1951-0.1360-0.0583 ( 3828 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1132 -42.1132 -42.0685 -42.0685 -15.7593 -15.7520 -15.2671 -15.2368 -14.7908 -14.7717 -14.7091 -14.6985 -3.8132 -3.7570 -3.6770 -3.6492 -3.0942 -2.9468 -2.8774 -2.8190 -2.6536 -2.6148 -0.6988 -0.6867 0.1718 0.3279 0.6348 0.7734 0.8914 0.9511 1.1365 1.1617 1.2355 1.2474 1.3436 1.3711 6.1942 6.2119 6.4496 6.4616 8.3569 8.4001 8.5512 8.6123 k = 0.2073-0.1445-0.0619 ( 3831 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1132 -42.1132 -42.0685 -42.0685 -15.7517 -15.7438 -15.2695 -15.2381 -14.7934 -14.7739 -14.7103 -14.6993 -3.8178 -3.7517 -3.6723 -3.6472 -3.1270 -2.9713 -2.8836 -2.8228 -2.6596 -2.6200 -0.6961 -0.6834 0.1662 0.3253 0.6283 0.7732 0.8964 0.9587 1.1365 1.1611 1.2484 1.2622 1.3565 1.3862 6.1999 6.2180 6.4457 6.4590 8.3634 8.4068 8.5550 8.6223 k = 0.2195-0.1530-0.0656 ( 3834 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1133 -42.1133 -42.0686 -42.0685 -15.7438 -15.7354 -15.2720 -15.2395 -14.7961 -14.7762 -14.7115 -14.7002 -3.8229 -3.7462 -3.6677 -3.6447 -3.1599 -2.9974 -2.8891 -2.8262 -2.6655 -2.6253 -0.6934 -0.6800 0.1611 0.3222 0.6228 0.7725 0.9019 0.9665 1.1347 1.1595 1.2626 1.2785 1.3691 1.4005 6.2056 6.2240 6.4417 6.4563 8.3700 8.4162 8.5582 8.6339 k = 0.2317-0.1615-0.0692 ( 3832 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1133 -42.1133 -42.0686 -42.0685 -15.7357 -15.7268 -15.2745 -15.2411 -14.7987 -14.7786 -14.7128 -14.7011 -3.8284 -3.7406 -3.6635 -3.6417 -3.1926 -3.0246 -2.8940 -2.8294 -2.6712 -2.6307 -0.6906 -0.6766 0.1565 0.3185 0.6183 0.7716 0.9079 0.9744 1.1316 1.1573 1.2775 1.2958 1.3813 1.4139 6.2111 6.2297 6.4378 6.4534 8.3761 8.4281 8.5606 8.6464 k = 0.2439-0.1700-0.0728 ( 3828 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1133 -42.1133 -42.0686 -42.0685 -15.7274 -15.7180 -15.2770 -15.2428 -14.8014 -14.7812 -14.7140 -14.7021 -3.8342 -3.7350 -3.6600 -3.6381 -3.2247 -3.0523 -2.8985 -2.8322 -2.6768 -2.6363 -0.6879 -0.6733 0.1526 0.3142 0.6148 0.7704 0.9142 0.9821 1.1277 1.1549 1.2929 1.3136 1.3930 1.4263 6.2164 6.2352 6.4339 6.4505 8.3819 8.4424 8.5624 8.6586 k = 0.2561-0.1785-0.0765 ( 3826 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1133 -42.1133 -42.0686 -42.0686 -15.7189 -15.7090 -15.2795 -15.2447 -14.8040 -14.7838 -14.7153 -14.7032 -3.8403 -3.7296 -3.6570 -3.6341 -3.2558 -3.0803 -2.9026 -2.8349 -2.6825 -2.6420 -0.6851 -0.6701 0.1491 0.3094 0.6123 0.7690 0.9207 0.9896 1.1232 1.1526 1.3086 1.3314 1.4043 1.4377 6.2214 6.2404 6.4301 6.4477 8.3872 8.4585 8.5637 8.6700 k = 0.2683-0.1870-0.0801 ( 3826 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1134 -42.1133 -42.0686 -42.0686 -15.7104 -15.6999 -15.2820 -15.2468 -14.8066 -14.7864 -14.7165 -14.7043 -3.8465 -3.7247 -3.6545 -3.6297 -3.2857 -3.1082 -2.9063 -2.8374 -2.6881 -2.6479 -0.6823 -0.6669 0.1462 0.3040 0.6110 0.7675 0.9274 0.9964 1.1184 1.1505 1.3243 1.3492 1.4150 1.4481 6.2261 6.2451 6.4266 6.4448 8.3924 8.4757 8.5645 8.6811 k = 0.2805-0.1955-0.0838 ( 3828 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1134 -42.1134 -42.0686 -42.0686 -15.7018 -15.6908 -15.2845 -15.2489 -14.8091 -14.7892 -14.7177 -14.7055 -3.8527 -3.7206 -3.6522 -3.6254 -3.3138 -3.1358 -2.9096 -2.8398 -2.6937 -2.6539 -0.6796 -0.6639 0.1439 0.2981 0.6107 0.7659 0.9339 1.0025 1.1136 1.1488 1.3400 1.3666 1.4252 1.4575 6.2303 6.2493 6.4234 6.4421 8.3976 8.4933 8.5649 8.6919 k = 0.2927-0.2040-0.0874 ( 3824 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1134 -42.1134 -42.0686 -42.0686 -15.6931 -15.6817 -15.2869 -15.2512 -14.8116 -14.7919 -14.7189 -14.7067 -3.8589 -3.7176 -3.6498 -3.6213 -3.3397 -3.1628 -2.9126 -2.8421 -2.6993 -2.6601 -0.6768 -0.6610 0.1420 0.2917 0.6114 0.7645 0.9402 1.0077 1.1088 1.1476 1.3554 1.3834 1.4350 1.4661 6.2341 6.2530 6.4206 6.4396 8.4028 8.5108 8.5651 8.7024 k = 0.3049-0.2125-0.0910 ( 3819 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1134 -42.1134 -42.0686 -42.0686 -15.6844 -15.6726 -15.2893 -15.2537 -14.8140 -14.7947 -14.7201 -14.7080 -3.8650 -3.7162 -3.6473 -3.6175 -3.3631 -3.1892 -2.9151 -2.8442 -2.7049 -2.6663 -0.6741 -0.6582 0.1407 0.2849 0.6132 0.7631 0.9462 1.0118 1.1043 1.1470 1.3706 1.3995 1.4443 1.4739 6.2373 6.2560 6.4183 6.4372 8.4081 8.5274 8.5653 8.7118 k = 0.3171-0.2210-0.0947 ( 3817 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1134 -42.1134 -42.0686 -42.0686 -15.6759 -15.6637 -15.2916 -15.2562 -14.8163 -14.7975 -14.7212 -14.7092 -3.8709 -3.7169 -3.6444 -3.6140 -3.3836 -3.2147 -2.9172 -2.8462 -2.7104 -2.6727 -0.6715 -0.6556 0.1399 0.2777 0.6160 0.7618 0.9517 1.0147 1.1002 1.1470 1.3852 1.4146 1.4533 1.4810 6.2400 6.2584 6.4165 6.4352 8.4136 8.5423 8.5658 8.7193 k = 0.3293-0.2295-0.0983 ( 3819 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1135 -42.1135 -42.0687 -42.0686 -15.6674 -15.6550 -15.2939 -15.2589 -14.8185 -14.8003 -14.7222 -14.7105 -3.8765 -3.7200 -3.6410 -3.6108 -3.4010 -3.2393 -2.9187 -2.8482 -2.7160 -2.6792 -0.6689 -0.6533 0.1394 0.2702 0.6197 0.7607 0.9565 1.0164 1.0968 1.1474 1.3992 1.4285 1.4621 1.4875 6.2422 6.2602 6.4151 6.4334 8.4193 8.5533 8.5686 8.7243 k = 0.3415-0.2380-0.1020 ( 3816 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1135 -42.1135 -42.0687 -42.0686 -15.6591 -15.6465 -15.2960 -15.2617 -14.8206 -14.8031 -14.7232 -14.7118 -3.8817 -3.7257 -3.6373 -3.6078 -3.4152 -3.2627 -2.9198 -2.8501 -2.7214 -2.6856 -0.6664 -0.6511 0.1394 0.2625 0.6242 0.7596 0.9606 1.0169 1.0942 1.1483 1.4125 1.4409 1.4710 1.4936 6.2438 6.2613 6.4143 6.4319 8.4252 8.5571 8.5770 8.7270 k = 0.3537-0.2465-0.1056 ( 3818 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1135 -42.1135 -42.0687 -42.0686 -15.6510 -15.6384 -15.2979 -15.2646 -14.8226 -14.8058 -14.7241 -14.7131 -3.8865 -3.7338 -3.6333 -3.6047 -3.4263 -3.2850 -2.9203 -2.8520 -2.7267 -2.6922 -0.6639 -0.6491 0.1398 0.2547 0.6295 0.7587 0.9638 1.0163 1.0925 1.1494 1.4248 1.4514 1.4801 1.4994 6.2449 6.2618 6.4140 6.4307 8.4312 8.5569 8.5878 8.7280 k = 0.3659-0.2550-0.1093 ( 3817 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1135 -42.0687 -42.0686 -15.6431 -15.6306 -15.2997 -15.2676 -14.8243 -14.8085 -14.7248 -14.7144 -3.8907 -3.7442 -3.6292 -3.6014 -3.4348 -3.3060 -2.9203 -2.8538 -2.7317 -2.6986 -0.6615 -0.6474 0.1406 0.2468 0.6356 0.7577 0.9661 1.0147 1.0919 1.1505 1.4361 1.4601 1.4895 1.5052 6.2456 6.2617 6.4141 6.4298 8.4374 8.5554 8.5984 8.7277 k = 0.3780-0.2635-0.1129 ( 3822 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0687 -42.0687 -15.6356 -15.6233 -15.3013 -15.2707 -14.8259 -14.8111 -14.7255 -14.7157 -3.8943 -3.7563 -3.6251 -3.5981 -3.4409 -3.3256 -2.9197 -2.8558 -2.7366 -2.7050 -0.6592 -0.6458 0.1417 0.2388 0.6422 0.7567 0.9677 1.0123 1.0924 1.1514 1.4461 1.4671 1.4990 1.5109 6.2460 6.2611 6.4146 6.4291 8.4438 8.5533 8.6083 8.7263 k = 0.3902-0.2720-0.1165 ( 3819 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0687 -42.0687 -15.6284 -15.6165 -15.3026 -15.2738 -14.8273 -14.8136 -14.7261 -14.7170 -3.8972 -3.7696 -3.6210 -3.5945 -3.4451 -3.3437 -2.9185 -2.8578 -2.7410 -2.7113 -0.6570 -0.6445 0.1432 0.2310 0.6494 0.7554 0.9686 1.0093 1.0940 1.1519 1.4549 1.4727 1.5081 1.5168 6.2460 6.2601 6.4154 6.4287 8.4503 8.5506 8.6176 8.7242 k = 0.4024-0.2805-0.1202 ( 3825 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0687 -42.0687 -15.6217 -15.6104 -15.3037 -15.2770 -14.8286 -14.8160 -14.7265 -14.7182 -3.8992 -3.7835 -3.6169 -3.5911 -3.4479 -3.3604 -2.9167 -2.8600 -2.7451 -2.7174 -0.6549 -0.6435 0.1450 0.2232 0.6570 0.7539 0.9690 1.0058 1.0965 1.1520 1.4623 1.4772 1.5165 1.5229 6.2459 6.2588 6.4164 6.4284 8.4569 8.5475 8.6263 8.7214 k = 0.4146-0.2890-0.1238 ( 3823 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0687 -42.0687 -15.6154 -15.6049 -15.3044 -15.2802 -14.8295 -14.8183 -14.7268 -14.7194 -3.9004 -3.7976 -3.6129 -3.5880 -3.4496 -3.3756 -2.9145 -2.8625 -2.7486 -2.7233 -0.6529 -0.6426 0.1471 0.2157 0.6649 0.7520 0.9692 1.0019 1.0997 1.1516 1.4686 1.4808 1.5241 1.5290 6.2458 6.2574 6.4176 6.4282 8.4636 8.5440 8.6346 8.7181 k = 0.4268-0.2975-0.1275 ( 3822 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0687 -42.0687 -15.6097 -15.6002 -15.3048 -15.2833 -14.8303 -14.8205 -14.7270 -14.7205 -3.9005 -3.8115 -3.6088 -3.5853 -3.4504 -3.3891 -2.9117 -2.8652 -2.7515 -2.7288 -0.6510 -0.6420 0.1496 0.2084 0.6731 0.7495 0.9693 0.9980 1.1036 1.1505 1.4737 1.4837 1.5307 1.5349 6.2456 6.2557 6.4189 6.4280 8.4703 8.5400 8.6424 8.7142 k = 0.4390-0.3060-0.1311 ( 3822 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0687 -42.0687 -15.6046 -15.5963 -15.3048 -15.2864 -14.8308 -14.8225 -14.7271 -14.7216 -3.8997 -3.8249 -3.6047 -3.5833 -3.4504 -3.4011 -2.9084 -2.8682 -2.7536 -2.7341 -0.6493 -0.6416 0.1524 0.2014 0.6814 0.7465 0.9695 0.9939 1.1079 1.1488 1.4779 1.4859 1.5365 1.5402 6.2454 6.2540 6.4203 6.4279 8.4770 8.5357 8.6499 8.7100 k = 0.4512-0.3145-0.1347 ( 3819 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0687 -42.0687 -15.6001 -15.5932 -15.3045 -15.2894 -14.8311 -14.8243 -14.7271 -14.7226 -3.8976 -3.8376 -3.6007 -3.5822 -3.4497 -3.4116 -2.9047 -2.8715 -2.7550 -2.7389 -0.6477 -0.6414 0.1555 0.1948 0.6896 0.7427 0.9700 0.9899 1.1126 1.1464 1.4813 1.4874 1.5414 1.5447 6.2454 6.2524 6.4215 6.4276 8.4836 8.5311 8.6571 8.7053 k = 0.4634-0.3230-0.1384 ( 3819 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0687 -42.0687 -15.5963 -15.5910 -15.3038 -15.2922 -14.8311 -14.8260 -14.7269 -14.7235 -3.8945 -3.8492 -3.5967 -3.5819 -3.4484 -3.4205 -2.9008 -2.8752 -2.7556 -2.7432 -0.6463 -0.6415 0.1591 0.1885 0.6978 0.7382 0.9709 0.9861 1.1174 1.1434 1.4840 1.4885 1.5455 1.5482 6.2455 6.2508 6.4228 6.4273 8.4902 8.5260 8.6641 8.7003 k = 0.4756-0.3315-0.1420 ( 3821 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1137 -42.1137 -42.0687 -42.0687 -15.5933 -15.5896 -15.3027 -15.2948 -14.8308 -14.8274 -14.7266 -14.7243 -3.8900 -3.8598 -3.5930 -3.5826 -3.4462 -3.4280 -2.8965 -2.8792 -2.7554 -2.7470 -0.6450 -0.6418 0.1630 0.1826 0.7057 0.7330 0.9723 0.9826 1.1222 1.1399 1.4861 1.4890 1.5486 1.5505 6.2458 6.2494 6.4239 6.4269 8.4967 8.5207 8.6708 8.6950 k = 0.4878-0.3400-0.1457 ( 3824 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1137 -42.1137 -42.0687 -42.0687 -15.5911 -15.5892 -15.3012 -15.2973 -14.8303 -14.8286 -14.7262 -14.7251 -3.8844 -3.8693 -3.5895 -3.5842 -3.4432 -3.4342 -2.8922 -2.8834 -2.7544 -2.7501 -0.6439 -0.6423 0.1673 0.1771 0.7133 0.7270 0.9741 0.9793 1.1270 1.1359 1.4876 1.4890 1.5507 1.5517 6.2464 6.2482 6.4249 6.4264 8.5030 8.5150 8.6772 8.6893 k = 0.5000-0.3485-0.1493 ( 3826 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1137 -42.1137 -42.0687 -42.0687 -15.5897 -15.5897 -15.2994 -15.2994 -14.8296 -14.8296 -14.7257 -14.7257 -3.8775 -3.8775 -3.5866 -3.5866 -3.4393 -3.4393 -2.8878 -2.8878 -2.7526 -2.7526 -0.6430 -0.6430 0.1720 0.1720 0.7204 0.7204 0.9765 0.9765 1.1316 1.1316 1.4885 1.4885 1.5518 1.5518 6.2472 6.2472 6.4257 6.4257 8.5091 8.5091 8.6834 8.6834 k = 0.5000-0.3485 0.4324 ( 3826 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1138 -42.1138 -42.0689 -42.0689 -15.5311 -15.5311 -15.3105 -15.3105 -14.8382 -14.8382 -14.7586 -14.7586 -3.7307 -3.7307 -3.5629 -3.5629 -3.2806 -3.2806 -2.9902 -2.9902 -2.8632 -2.8632 -0.7317 -0.7317 -0.1577 -0.1577 0.5123 0.5123 1.0222 1.0222 1.1914 1.1914 1.5403 1.5403 1.5916 1.5916 6.4106 6.4106 6.6171 6.6171 8.5994 8.5994 8.8138 8.8138 k = 0.4898-0.3414 0.4236 ( 3826 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1138 -42.1138 -42.0689 -42.0689 -15.5325 -15.5305 -15.3122 -15.3086 -14.8394 -14.8368 -14.7600 -14.7569 -3.7346 -3.7262 -3.5669 -3.5589 -3.2852 -3.2762 -2.9940 -2.9860 -2.8672 -2.8584 -0.7328 -0.7305 -0.1588 -0.1558 0.5117 0.5127 1.0201 1.0237 1.1897 1.1943 1.5394 1.5402 1.5906 1.5919 6.4090 6.4119 6.6167 6.6172 8.5945 8.6033 8.8102 8.8147 k = 0.4796-0.3343 0.4148 ( 3824 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1138 -42.1138 -42.0689 -42.0689 -15.5345 -15.5307 -15.3136 -15.3065 -14.8404 -14.8353 -14.7613 -14.7550 -3.7380 -3.7213 -3.5709 -3.5551 -3.2900 -3.2720 -2.9974 -2.9815 -2.8704 -2.8529 -0.7338 -0.7292 -0.1590 -0.1529 0.5109 0.5130 1.0175 1.0245 1.1894 1.1984 1.5373 1.5391 1.5891 1.5917 6.4073 6.4131 6.6160 6.6171 8.5888 8.6066 8.8037 8.8131 k = 0.4694-0.3272 0.4060 ( 3821 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1138 -42.1138 -42.0689 -42.0688 -15.5372 -15.5317 -15.3147 -15.3043 -14.8413 -14.8337 -14.7623 -14.7530 -3.7408 -3.7159 -3.5749 -3.5513 -3.2949 -3.2680 -3.0004 -2.9768 -2.8727 -2.8469 -0.7346 -0.7278 -0.1582 -0.1490 0.5100 0.5132 1.0145 1.0247 1.1903 1.2035 1.5343 1.5368 1.5869 1.5907 6.4053 6.4139 6.6150 6.6166 8.5820 8.6090 8.7945 8.8092 k = 0.4592-0.3200 0.3971 ( 3822 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1138 -42.1138 -42.0689 -42.0688 -15.5406 -15.5334 -15.3156 -15.3018 -14.8420 -14.8319 -14.7631 -14.7508 -3.7431 -3.7102 -3.5787 -3.5479 -3.2999 -3.2642 -3.0029 -2.9719 -2.8740 -2.8403 -0.7354 -0.7264 -0.1564 -0.1443 0.5090 0.5132 1.0113 1.0242 1.1925 1.2095 1.5302 1.5334 1.5842 1.5891 6.4032 6.4145 6.6137 6.6158 8.5741 8.6108 8.7825 8.8035 k = 0.4490-0.3129 0.3883 ( 3824 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1138 -42.1138 -42.0689 -42.0688 -15.5446 -15.5358 -15.3163 -15.2992 -14.8425 -14.8301 -14.7638 -14.7485 -3.7449 -3.7042 -3.5824 -3.5447 -3.3050 -3.2606 -3.0048 -2.9670 -2.8742 -2.8334 -0.7360 -0.7249 -0.1538 -0.1388 0.5080 0.5131 1.0078 1.0231 1.1957 1.2162 1.5252 1.5290 1.5808 1.5868 6.4008 6.4148 6.6121 6.6148 8.5650 8.6119 8.7680 8.7963 k = 0.4388-0.3058 0.3795 ( 3827 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1138 -42.1138 -42.0689 -42.0688 -15.5493 -15.5391 -15.3166 -15.2965 -14.8428 -14.8281 -14.7642 -14.7460 -3.7461 -3.6981 -3.5857 -3.5419 -3.3099 -3.2569 -3.0061 -2.9620 -2.8734 -2.8261 -0.7366 -0.7233 -0.1503 -0.1323 0.5069 0.5129 1.0042 1.0215 1.1998 1.2234 1.5194 1.5236 1.5769 1.5838 6.3983 6.4149 6.6102 6.6135 8.5545 8.6123 8.7513 8.7882 k = 0.4286-0.2987 0.3707 ( 3823 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1138 -42.1138 -42.0689 -42.0688 -15.5544 -15.5430 -15.3168 -15.2937 -14.8430 -14.8261 -14.7644 -14.7434 -3.7468 -3.6921 -3.5887 -3.5396 -3.3146 -3.2531 -3.0069 -2.9569 -2.8715 -2.8185 -0.7369 -0.7217 -0.1459 -0.1250 0.5059 0.5128 1.0006 1.0196 1.2047 1.2309 1.5127 1.5173 1.5724 1.5801 6.3957 6.4146 6.6081 6.6120 8.5427 8.6120 8.7329 8.7794 k = 0.4184-0.2916 0.3618 ( 3821 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1138 -42.1138 -42.0688 -42.0688 -15.5601 -15.5476 -15.3166 -15.2908 -14.8429 -14.8239 -14.7644 -14.7407 -3.7471 -3.6864 -3.5911 -3.5379 -3.3190 -3.2492 -3.0070 -2.9518 -2.8686 -2.8107 -0.7371 -0.7200 -0.1405 -0.1169 0.5050 0.5127 0.9970 1.0173 1.2100 1.2387 1.5052 1.5101 1.5673 1.5756 6.3929 6.4139 6.6056 6.6102 8.5295 8.6107 8.7132 8.7704 k = 0.4082-0.2845 0.3530 ( 3816 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1138 -42.1137 -42.0688 -42.0688 -15.5662 -15.5529 -15.3163 -15.2879 -14.8427 -14.8217 -14.7641 -14.7379 -3.7469 -3.6813 -3.5928 -3.5367 -3.3229 -3.2449 -3.0065 -2.9467 -2.8647 -2.8027 -0.7372 -0.7183 -0.1344 -0.1081 0.5043 0.5128 0.9935 1.0148 1.2156 1.2464 1.4971 1.5022 1.5615 1.5705 6.3899 6.4129 6.6029 6.6082 8.5149 8.6081 8.6930 8.7613 k = 0.3980-0.2774 0.3442 ( 3819 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1137 -42.1137 -42.0688 -42.0688 -15.5728 -15.5588 -15.3157 -15.2849 -14.8423 -14.8194 -14.7638 -14.7351 -3.7464 -3.6771 -3.5936 -3.5363 -3.3263 -3.2401 -3.0054 -2.9415 -2.8599 -2.7947 -0.7371 -0.7166 -0.1273 -0.0984 0.5037 0.5131 0.9900 1.0121 1.2213 1.2540 1.4882 1.4935 1.5551 1.5647 6.3868 6.4114 6.5999 6.6060 8.4989 8.6035 8.6733 8.7523 k = 0.3878-0.2703 0.3354 ( 3820 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1137 -42.1137 -42.0688 -42.0688 -15.5798 -15.5652 -15.3150 -15.2819 -14.8417 -14.8171 -14.7632 -14.7322 -3.7455 -3.6743 -3.5932 -3.5366 -3.3289 -3.2347 -3.0036 -2.9361 -2.8542 -2.7866 -0.7368 -0.7148 -0.1195 -0.0881 0.5034 0.5137 0.9865 1.0093 1.2269 1.2613 1.4787 1.4842 1.5481 1.5582 6.3835 6.4096 6.5967 6.6035 8.4817 8.5956 8.6559 8.7436 k = 0.3776-0.2632 0.3265 ( 3820 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1137 -42.1137 -42.0688 -42.0688 -15.5871 -15.5722 -15.3140 -15.2788 -14.8409 -14.8147 -14.7624 -14.7293 -3.7443 -3.6729 -3.5918 -3.5377 -3.3306 -3.2285 -3.0013 -2.9305 -2.8479 -2.7785 -0.7364 -0.7130 -0.1109 -0.0771 0.5033 0.5146 0.9831 1.0065 1.2323 1.2682 1.4687 1.4744 1.5405 1.5511 6.3800 6.4072 6.5932 6.6008 8.4633 8.5829 8.6424 8.7353 k = 0.3673-0.2560 0.3177 ( 3817 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1137 -42.1137 -42.0688 -42.0687 -15.5948 -15.5797 -15.3129 -15.2758 -14.8399 -14.8123 -14.7615 -14.7263 -3.7428 -3.6731 -3.5895 -3.5395 -3.3311 -3.2216 -2.9984 -2.9247 -2.8410 -2.7704 -0.7358 -0.7112 -0.1016 -0.0654 0.5035 0.5160 0.9796 1.0037 1.2372 1.2745 1.4582 1.4643 1.5324 1.5434 6.3763 6.4044 6.5894 6.5979 8.4441 8.5655 8.6333 8.7274 k = 0.3571-0.2489 0.3089 ( 3812 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1137 -42.1137 -42.0688 -42.0687 -15.6027 -15.5875 -15.3116 -15.2728 -14.8387 -14.8098 -14.7605 -14.7234 -3.7411 -3.6747 -3.5866 -3.5420 -3.3303 -3.2137 -2.9949 -2.9186 -2.8335 -2.7624 -0.7350 -0.7093 -0.0915 -0.0531 0.5041 0.5179 0.9760 1.0010 1.2416 1.2800 1.4472 1.4539 1.5237 1.5351 6.3724 6.4011 6.5855 6.5949 8.4242 8.5450 8.6270 8.7199 k = 0.3469-0.2418 0.3001 ( 3812 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0688 -42.0687 -15.6110 -15.5957 -15.3102 -15.2698 -14.8374 -14.8073 -14.7593 -14.7205 -3.7393 -3.6774 -3.5838 -3.5449 -3.3280 -3.2049 -2.9909 -2.9123 -2.8256 -2.7545 -0.7341 -0.7075 -0.0808 -0.0403 0.5050 0.5204 0.9723 0.9983 1.2453 1.2847 1.4358 1.4433 1.5144 1.5263 6.3683 6.3972 6.5815 6.5917 8.4038 8.5231 8.6224 8.7127 k = 0.3367-0.2347 0.2912 ( 3810 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0688 -42.0687 -15.6194 -15.6043 -15.3087 -15.2668 -14.8359 -14.8048 -14.7580 -14.7176 -3.7374 -3.6811 -3.5816 -3.5481 -3.3240 -3.1951 -2.9864 -2.9056 -2.8174 -2.7466 -0.7330 -0.7057 -0.0695 -0.0270 0.5063 0.5234 0.9684 0.9957 1.2480 1.2884 1.4242 1.4326 1.5047 1.5171 6.3640 6.3927 6.5772 6.5883 8.3832 8.5008 8.6185 8.7059 k = 0.3265-0.2276 0.2824 ( 3811 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0687 -42.0687 -15.6280 -15.6131 -15.3070 -15.2639 -14.8342 -14.8022 -14.7566 -14.7148 -3.7355 -3.6856 -3.5808 -3.5512 -3.3181 -3.1844 -2.9814 -2.8986 -2.8089 -2.7389 -0.7317 -0.7039 -0.0576 -0.0132 0.5080 0.5271 0.9642 0.9933 1.2498 1.2908 1.4123 1.4221 1.4945 1.5074 6.3595 6.3876 6.5728 6.5847 8.3626 8.4788 8.6149 8.6994 k = 0.3163-0.2205 0.2736 ( 3814 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1136 -42.0687 -42.0687 -15.6368 -15.6222 -15.3053 -15.2611 -14.8324 -14.7996 -14.7551 -14.7121 -3.7335 -3.6906 -3.5817 -3.5540 -3.3102 -3.1727 -2.9759 -2.8913 -2.8002 -2.7313 -0.7303 -0.7021 -0.0452 0.0009 0.5101 0.5315 0.9597 0.9911 1.2505 1.2920 1.4004 1.4118 1.4839 1.4973 6.3546 6.3819 6.5684 6.5810 8.3424 8.4576 8.6114 8.6931 k = 0.3061-0.2134 0.2648 ( 3820 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1136 -42.1135 -42.0687 -42.0687 -15.6457 -15.6314 -15.3034 -15.2583 -14.8305 -14.7970 -14.7535 -14.7094 -3.7318 -3.6959 -3.5846 -3.5562 -3.3004 -3.1602 -2.9700 -2.8838 -2.7913 -2.7238 -0.7287 -0.7004 -0.0324 0.0154 0.5127 0.5365 0.9549 0.9891 1.2498 1.2917 1.3885 1.4018 1.4730 1.4870 6.3495 6.3755 6.5638 6.5772 8.3227 8.4375 8.6079 8.6870 k = 0.2959-0.2063 0.2559 ( 3817 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1135 -42.0687 -42.0686 -15.6546 -15.6408 -15.3015 -15.2556 -14.8284 -14.7944 -14.7519 -14.7068 -3.7301 -3.7015 -3.5891 -3.5582 -3.2887 -3.1467 -2.9637 -2.8761 -2.7823 -2.7164 -0.7269 -0.6987 -0.0192 0.0301 0.5157 0.5421 0.9497 0.9874 1.2478 1.2898 1.3769 1.3921 1.4617 1.4764 6.3441 6.3686 6.5593 6.5733 8.3039 8.4187 8.6043 8.6812 k = 0.2857-0.1991 0.2471 ( 3817 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1135 -42.0687 -42.0686 -15.6637 -15.6502 -15.2995 -15.2530 -14.8262 -14.7918 -14.7502 -14.7044 -3.7288 -3.7072 -3.5949 -3.5604 -3.2751 -3.1326 -2.9569 -2.8683 -2.7731 -2.7091 -0.7250 -0.6971 -0.0058 0.0451 0.5193 0.5484 0.9442 0.9859 1.2444 1.2863 1.3658 1.3828 1.4502 1.4657 6.3384 6.3610 6.5547 6.5693 8.2860 8.4015 8.6006 8.6754 k = 0.2755-0.1920 0.2383 ( 3823 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1135 -42.1135 -42.0687 -42.0686 -15.6727 -15.6597 -15.2974 -15.2505 -14.8239 -14.7892 -14.7485 -14.7020 -3.7280 -3.7128 -3.6015 -3.5629 -3.2599 -3.1177 -2.9499 -2.8603 -2.7638 -2.7020 -0.7231 -0.6956 0.0078 0.0603 0.5233 0.5553 0.9382 0.9848 1.2395 1.2810 1.3552 1.3737 1.4384 1.4548 6.3323 6.3527 6.5501 6.5652 8.2694 8.3859 8.5967 8.6698 k = 0.2653-0.1849 0.2295 ( 3821 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0006 -42.1134 -42.1134 -42.0687 -42.0686 -15.6817 -15.6693 -15.2952 -15.2481 -14.8215 -14.7866 -14.7467 -14.6998 -3.7284 -3.7175 -3.6086 -3.5660 -3.2431 -3.1022 -2.9424 -2.8524 -2.7544 -2.6949 -0.7210 -0.6942 0.0215 0.0757 0.5279 0.5628 0.9319 0.9839 1.2332 1.2740 1.3453 1.3649 1.4266 1.4439 6.3259 6.3439 6.5456 6.5611 8.2542 8.3722 8.5927 8.6644 k = 0.2551-0.1778 0.2206 ( 3818 PWs) bands (ev): -85.4566 -85.4566 -54.0006 -54.0005 -42.1134 -42.1134 -42.0686 -42.0686 -15.6907 -15.6787 -15.2930 -15.2458 -14.8190 -14.7840 -14.7449 -14.6977 -3.7311 -3.7202 -3.6160 -3.5695 -3.2251 -3.0861 -2.9347 -2.8444 -2.7449 -2.6878 -0.7188 -0.6929 0.0352 0.0911 0.5331 0.5709 0.9253 0.9833 1.2256 1.2655 1.3362 1.3561 1.4146 1.4330 6.3191 6.3345 6.5411 6.5568 8.2407 8.3605 8.5885 8.6590 k = 0.2449-0.1707 0.2118 ( 3815 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1134 -42.1134 -42.0686 -42.0686 -15.6996 -15.6882 -15.2907 -15.2436 -14.8164 -14.7815 -14.7430 -14.6958 -3.7358 -3.7212 -3.6235 -3.5735 -3.2060 -3.0696 -2.9266 -2.8366 -2.7353 -2.6809 -0.7167 -0.6918 0.0488 0.1066 0.5388 0.5794 0.9183 0.9830 1.2168 1.2556 1.3277 1.3473 1.4026 1.4221 6.3119 6.3246 6.5367 6.5526 8.2289 8.3508 8.5840 8.6536 k = 0.2347-0.1636 0.2030 ( 3813 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1133 -42.1133 -42.0686 -42.0685 -15.7083 -15.6975 -15.2883 -15.2415 -14.8138 -14.7790 -14.7412 -14.6940 -3.7414 -3.7217 -3.6310 -3.5779 -3.1860 -3.0527 -2.9183 -2.8289 -2.7256 -2.6740 -0.7145 -0.6908 0.0621 0.1221 0.5451 0.5885 0.9111 0.9830 1.2069 1.2447 1.3196 1.3383 1.3907 1.4112 6.3044 6.3143 6.5324 6.5483 8.2190 8.3433 8.5794 8.6483 k = 0.2245-0.1565 0.1942 ( 3810 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1133 -42.1133 -42.0686 -42.0685 -15.7170 -15.7067 -15.2860 -15.2396 -14.8111 -14.7765 -14.7393 -14.6923 -3.7472 -3.7223 -3.6383 -3.5826 -3.1653 -3.0356 -2.9097 -2.8214 -2.7158 -2.6671 -0.7124 -0.6901 0.0751 0.1376 0.5519 0.5979 0.9035 0.9832 1.1962 1.2329 1.3119 1.3290 1.3788 1.4003 6.2966 6.3037 6.5282 6.5440 8.2111 8.3379 8.5746 8.6430 k = 0.2143-0.1494 0.1853 ( 3808 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1133 -42.1133 -42.0686 -42.0685 -15.7254 -15.7157 -15.2835 -15.2379 -14.8083 -14.7742 -14.7374 -14.6908 -3.7530 -3.7233 -3.6453 -3.5876 -3.1442 -3.0184 -2.9009 -2.8142 -2.7060 -2.6603 -0.7103 -0.6896 0.0876 0.1530 0.5595 0.6078 0.8958 0.9837 1.1848 1.2206 1.3043 1.3194 1.3670 1.3895 6.2884 6.2927 6.5241 6.5397 8.2053 8.3347 8.5695 8.6378 k = 0.2041-0.1422 0.1765 ( 3807 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1133 -42.1132 -42.0685 -42.0685 -15.7337 -15.7245 -15.2811 -15.2363 -14.8056 -14.7719 -14.7355 -14.6895 -3.7587 -3.7248 -3.6520 -3.5928 -3.1227 -3.0012 -2.8919 -2.8073 -2.6962 -2.6534 -0.7084 -0.6893 0.0997 0.1684 0.5676 0.6180 0.8880 0.9844 1.1728 1.2080 1.2968 1.3097 1.3554 1.3786 6.2799 6.2817 6.5202 6.5354 8.2017 8.3336 8.5642 8.6326 k = 0.1939-0.1351 0.1677 ( 3805 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1132 -42.1132 -42.0685 -42.0685 -15.7418 -15.7331 -15.2786 -15.2348 -14.8028 -14.7697 -14.7336 -14.6883 -3.7642 -3.7269 -3.6580 -3.5981 -3.1010 -2.9841 -2.8827 -2.8007 -2.6863 -2.6466 -0.7067 -0.6893 0.1113 0.1835 0.5765 0.6284 0.8801 0.9852 1.1604 1.1953 1.2893 1.2997 1.3439 1.3676 6.2701 6.2716 6.5164 6.5312 8.2003 8.3347 8.5587 8.6274 k = 0.1837-0.1280 0.1589 ( 3804 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1132 -42.1132 -42.0685 -42.0685 -15.7495 -15.7414 -15.2762 -15.2335 -14.8000 -14.7676 -14.7316 -14.6873 -3.7696 -3.7295 -3.6635 -3.6035 -3.0794 -2.9674 -2.8733 -2.7943 -2.6765 -2.6397 -0.7053 -0.6896 0.1223 0.1985 0.5859 0.6391 0.8723 0.9860 1.1477 1.1825 1.2816 1.2898 1.3328 1.3565 6.2589 6.2626 6.5126 6.5270 8.2012 8.3380 8.5529 8.6222 k = 0.1735-0.1209 0.1500 ( 3810 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1132 -42.1132 -42.0685 -42.0685 -15.7571 -15.7495 -15.2737 -15.2323 -14.7972 -14.7657 -14.7297 -14.6865 -3.7746 -3.7328 -3.6683 -3.6090 -3.0581 -2.9512 -2.8638 -2.7882 -2.6666 -2.6328 -0.7041 -0.6902 0.1328 0.2131 0.5960 0.6501 0.8645 0.9866 1.1348 1.1698 1.2738 1.2800 1.3219 1.3453 6.2478 6.2535 6.5091 6.5229 8.2042 8.3433 8.5469 8.6171 k = 0.1633-0.1138 0.1412 ( 3807 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1132 -42.1131 -42.0685 -42.0684 -15.7643 -15.7572 -15.2712 -15.2313 -14.7944 -14.7639 -14.7277 -14.6859 -3.7794 -3.7367 -3.6724 -3.6145 -3.0372 -2.9356 -2.8541 -2.7823 -2.6568 -2.6259 -0.7033 -0.6911 0.1429 0.2273 0.6067 0.6612 0.8570 0.9870 1.1219 1.1572 1.2656 1.2707 1.3114 1.3341 6.2368 6.2444 6.5057 6.5189 8.2093 8.3506 8.5407 8.6120 k = 0.1531-0.1067 0.1324 ( 3809 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1131 -42.1131 -42.0685 -42.0684 -15.7712 -15.7646 -15.2687 -15.2305 -14.7916 -14.7623 -14.7257 -14.6854 -3.7839 -3.7411 -3.6758 -3.6199 -3.0168 -2.9208 -2.8444 -2.7765 -2.6471 -2.6190 -0.7028 -0.6924 0.1525 0.2409 0.6180 0.6724 0.8499 0.9870 1.1090 1.1449 1.2570 1.2620 1.3013 1.3230 6.2261 6.2353 6.5024 6.5150 8.2166 8.3598 8.5343 8.6069 k = 0.1429-0.0996 0.1236 ( 3810 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1131 -42.1131 -42.0685 -42.0684 -15.7777 -15.7716 -15.2662 -15.2298 -14.7888 -14.7608 -14.7236 -14.6850 -3.7881 -3.7459 -3.6787 -3.6252 -2.9973 -2.9070 -2.8347 -2.7709 -2.6375 -2.6120 -0.7028 -0.6938 0.1618 0.2538 0.6298 0.6837 0.8432 0.9863 1.0963 1.1328 1.2481 1.2541 1.2916 1.3119 6.2157 6.2262 6.4994 6.5112 8.2259 8.3707 8.5278 8.6019 k = 0.1327-0.0925 0.1147 ( 3811 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1131 -42.1131 -42.0685 -42.0684 -15.7839 -15.7783 -15.2637 -15.2293 -14.7862 -14.7595 -14.7216 -14.6849 -3.7919 -3.7510 -3.6810 -3.6304 -2.9787 -2.8942 -2.8250 -2.7653 -2.6281 -2.6051 -0.7032 -0.6956 0.1709 0.2658 0.6419 0.6950 0.8373 0.9848 1.0840 1.1208 1.2392 1.2466 1.2823 1.3011 6.2058 6.2172 6.4965 6.5075 8.2371 8.3833 8.5213 8.5971 k = 0.1224-0.0853 0.1059 ( 3811 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1131 -42.1131 -42.0685 -42.0684 -15.7897 -15.7845 -15.2613 -15.2290 -14.7835 -14.7584 -14.7195 -14.6849 -3.7954 -3.7562 -3.6828 -3.6355 -2.9613 -2.8825 -2.8155 -2.7597 -2.6189 -2.5982 -0.7040 -0.6975 0.1799 0.2768 0.6544 0.7063 0.8322 0.9821 1.0721 1.1091 1.2307 1.2395 1.2734 1.2908 6.1964 6.2084 6.4938 6.5041 8.2499 8.3972 8.5150 8.5926 k = 0.1122-0.0782 0.0971 ( 3806 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1131 -42.1130 -42.0684 -42.0684 -15.7950 -15.7904 -15.2589 -15.2288 -14.7809 -14.7575 -14.7174 -14.6850 -3.7984 -3.7614 -3.6842 -3.6404 -2.9450 -2.8721 -2.8061 -2.7541 -2.6100 -2.5914 -0.7052 -0.6996 0.1889 0.2866 0.6671 0.7174 0.8282 0.9782 1.0608 1.0975 1.2227 1.2328 1.2651 1.2810 6.1876 6.2000 6.4913 6.5007 8.2643 8.4121 8.5093 8.5884 k = 0.1020-0.0711 0.0883 ( 3805 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8000 -15.7958 -15.2566 -15.2288 -14.7784 -14.7567 -14.7153 -14.6853 -3.8011 -3.7667 -3.6852 -3.6452 -2.9301 -2.8632 -2.7970 -2.7486 -2.6013 -2.5847 -0.7068 -0.7018 0.1979 0.2950 0.6798 0.7283 0.8256 0.9729 1.0502 1.0859 1.2153 1.2264 1.2574 1.2719 6.1795 6.1918 6.4890 6.4976 8.2799 8.4270 8.5049 8.5849 k = 0.0918-0.0640 0.0794 ( 3802 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8045 -15.8007 -15.2542 -15.2289 -14.7760 -14.7562 -14.7132 -14.6858 -3.8033 -3.7717 -3.6859 -3.6497 -2.9165 -2.8557 -2.7880 -2.7433 -2.5930 -2.5783 -0.7086 -0.7041 0.2070 0.3019 0.6925 0.7386 0.8246 0.9664 1.0401 1.0745 1.2086 1.2203 1.2503 1.2637 6.1721 6.1841 6.4870 6.4947 8.2964 8.4406 8.5031 8.5821 k = 0.0816-0.0569 0.0706 ( 3803 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8085 -15.8052 -15.2520 -15.2292 -14.7737 -14.7558 -14.7111 -14.6864 -3.8052 -3.7766 -3.6863 -3.6540 -2.9043 -2.8496 -2.7793 -2.7383 -2.5851 -2.5722 -0.7106 -0.7065 0.2163 0.3072 0.7048 0.7482 0.8255 0.9589 1.0305 1.0630 1.2028 1.2146 1.2439 1.2565 6.1655 6.1769 6.4851 6.4921 8.3135 8.4500 8.5066 8.5804 k = 0.0714-0.0498 0.0618 ( 3805 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8121 -15.8092 -15.2498 -15.2296 -14.7715 -14.7557 -14.7091 -14.6872 -3.8066 -3.7813 -3.6864 -3.6581 -2.8933 -2.8451 -2.7708 -2.7339 -2.5777 -2.5666 -0.7127 -0.7088 0.2257 0.3108 0.7167 0.7568 0.8286 0.9506 1.0213 1.0516 1.1978 1.2092 1.2384 1.2501 6.1596 6.1702 6.4835 6.4896 8.3306 8.4533 8.5169 8.5800 k = 0.0612-0.0427 0.0530 ( 3803 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8152 -15.8128 -15.2477 -15.2302 -14.7694 -14.7557 -14.7071 -14.6880 -3.8076 -3.7857 -3.6862 -3.6619 -2.8836 -2.8419 -2.7627 -2.7302 -2.5710 -2.5615 -0.7147 -0.7111 0.2352 0.3126 0.7279 0.7642 0.8338 0.9421 1.0125 1.0402 1.1937 1.2043 1.2339 1.2445 6.1546 6.1642 6.4822 6.4874 8.3474 8.4519 8.5322 8.5813 k = 0.0510-0.0356 0.0441 ( 3808 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8178 -15.8158 -15.2456 -15.2310 -14.7675 -14.7559 -14.7051 -14.6891 -3.8082 -3.7897 -3.6858 -3.6655 -2.8750 -2.8401 -2.7550 -2.7273 -2.5649 -2.5570 -0.7165 -0.7133 0.2448 0.3126 0.7383 0.7703 0.8409 0.9334 1.0043 1.0290 1.1904 1.1999 1.2303 1.2397 6.1505 6.1588 6.4811 6.4854 8.3632 8.4481 8.5493 8.5843 k = 0.0408-0.0284 0.0353 ( 3808 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8199 -15.8183 -15.2437 -15.2319 -14.7656 -14.7563 -14.7031 -14.6902 -3.8083 -3.7934 -3.6850 -3.6688 -2.8675 -2.8394 -2.7480 -2.7254 -2.5596 -2.5533 -0.7180 -0.7154 0.2544 0.3108 0.7478 0.7748 0.8495 0.9249 0.9970 1.0183 1.1881 1.1959 1.2278 1.2357 6.1473 6.1541 6.4802 6.4837 8.3776 8.4433 8.5657 8.5892 k = 0.0306-0.0213 0.0265 ( 3808 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8216 -15.8203 -15.2418 -15.2329 -14.7639 -14.7569 -14.7012 -14.6915 -3.8079 -3.7967 -3.6840 -3.6718 -2.8609 -2.8397 -2.7417 -2.7245 -2.5552 -2.5505 -0.7192 -0.7171 0.2638 0.3075 0.7563 0.7776 0.8593 0.9166 0.9912 1.0083 1.1865 1.1926 1.2261 1.2324 6.1450 6.1503 6.4797 6.4823 8.3904 8.4379 8.5796 8.5951 k = 0.0204-0.0142 0.0177 ( 3812 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8227 -15.8218 -15.2401 -15.2341 -14.7623 -14.7576 -14.6994 -14.6929 -3.8072 -3.7997 -3.6827 -3.6746 -2.8552 -2.8411 -2.7363 -2.7247 -2.5518 -2.5487 -0.7200 -0.7185 0.2729 0.3028 0.7636 0.7785 0.8696 0.9081 0.9874 0.9996 1.1857 1.1898 1.2254 1.2296 6.1436 6.1472 6.4794 6.4811 8.4014 8.4321 8.5901 8.6004 k = 0.0102-0.0071 0.0088 ( 3817 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8232 -15.8228 -15.2384 -15.2354 -14.7609 -14.7586 -14.6976 -14.6944 -3.8060 -3.8022 -3.6811 -3.6770 -2.8504 -2.8434 -2.7318 -2.7260 -2.5494 -2.5478 -0.7203 -0.7196 0.2816 0.2967 0.7697 0.7774 0.8799 0.8993 0.9863 0.9927 1.1857 1.1877 1.2254 1.2276 6.1432 6.1450 6.4794 6.4802 8.4108 8.4258 8.5974 8.6029 k = 0.0000 0.0000 0.0000 ( 3817 PWs) bands (ev): -85.4566 -85.4566 -54.0005 -54.0005 -42.1130 -42.1130 -42.0684 -42.0684 -15.8233 -15.8233 -15.2369 -15.2369 -14.7597 -14.7597 -14.6960 -14.6960 -3.8043 -3.8043 -3.6792 -3.6792 -2.8465 -2.8465 -2.7284 -2.7284 -2.5481 -2.5481 -0.7202 -0.7202 0.2896 0.2896 0.7744 0.7744 0.8899 0.8899 0.9881 0.9881 1.1863 1.1863 1.2262 1.2262 6.1436 6.1436 6.4797 6.4797 8.4188 8.4188 8.6018 8.6018 Writing output data file OsO4.save init_run : 3.10s CPU 12.08s WALL ( 1 calls) electrons : 659.33s CPU 665.74s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.48s CPU 2.04s WALL ( 1 calls) Called by electrons: c_bands : 659.29s CPU 665.45s WALL ( 1 calls) v_of_rho : 0.28s CPU 1.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.27s CPU 0.62s WALL ( 1 calls) newd : 0.36s CPU 0.51s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.10s WALL ( 352 calls) cegterg : 571.77s CPU 575.50s WALL ( 710 calls) Called by sum_band: Called by *egterg: h_psi : 245.97s CPU 252.65s WALL ( 13325 calls) s_psi : 15.23s CPU 16.20s WALL ( 13325 calls) g_psi : 0.69s CPU 0.68s WALL ( 12263 calls) cdiaghg : 221.65s CPU 219.33s WALL ( 12615 calls) cegterg:over : 54.72s CPU 50.76s WALL ( 12263 calls) cegterg:upda : 9.59s CPU 13.28s WALL ( 12263 calls) cegterg:last : 9.01s CPU 9.95s WALL ( 2408 calls) Called by h_psi: h_psi:vloc : 207.35s CPU 213.65s WALL ( 13325 calls) h_psi:vnl : 38.36s CPU 38.10s WALL ( 13325 calls) add_vuspsi : 8.72s CPU 12.93s WALL ( 13325 calls) General routines calbec : 29.62s CPU 25.10s WALL ( 13325 calls) fft : 0.47s CPU 1.52s WALL ( 19 calls) ffts : 0.01s CPU 0.58s WALL ( 4 calls) fftw : 194.81s CPU 200.17s WALL ( 1342472 calls) interpolate : 0.02s CPU 0.60s WALL ( 4 calls) davcio : 0.03s CPU 3.42s WALL ( 704 calls) Parallel routines fft_scatter : 120.78s CPU 125.25s WALL ( 1342495 calls) PWSCF : 11m59.11s CPU 13m57.72s WALL This run was terminated on: 10:30:29 17Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=